data_2JSX

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2JSX   
BMRB  15381  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2JSX
_pdbx_vrpt_summary.PDB_deposition_date         2007-07-17
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:13:39
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Protein napD"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   68.32  158937  ?     ?     
2  2  1   70.55   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   54.11  154315  ?     ?     
6  2  3   92.34   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A   35.65  
 4  6  3  A   1  1  A   35.65  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A   35.65  
 8  6  3  A   2  1  A   35.65  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A   48.54  
12  6  3  A   3  1  A   48.54  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A   48.54  
16  6  3  A   4  1  A   48.54  
17  3  2  A   5  1  A   14.01  
18  4  2  A   5  1  A   14.01  
19  5  3  A   5  1  A   35.65  
20  6  3  A   5  1  A   35.65  
21  3  2  A   6  1  A   14.01  
22  4  2  A   6  1  A   14.01  
23  5  3  A   6  1  A   35.65  
24  6  3  A   6  1  A   35.65  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A   48.54  
28  6  3  A   7  1  A   48.54  
29  3  2  A   8  1  A   14.01  
30  4  2  A   8  1  A   14.01  
31  5  3  A   8  1  A   35.65  
32  6  3  A   8  1  A   35.65  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A   26.05  
36  6  3  A   9  1  A   26.05  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A   35.65  
40  6  3  A  10  1  A   35.65  
41  3  2  A  11  1  A    3.78  
42  4  2  A  11  1  A    3.78  
43  5  3  A  11  1  A   71.01  
44  6  3  A  11  1  A   71.01  
45  3  2  A  12  1  A    3.78  
46  4  2  A  12  1  A    3.78  
47  5  3  A  12  1  A   48.54  
48  6  3  A  12  1  A   48.54  
49  3  2  A  13  1  A   14.01  
50  4  2  A  13  1  A   14.01  
51  5  3  A  13  1  A   71.01  
52  6  3  A  13  1  A   71.01  
53  3  2  A  14  1  A   14.01  
54  4  2  A  14  1  A   14.01  
55  5  3  A  14  1  A   35.65  
56  6  3  A  14  1  A   35.65  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A   48.54  
60  6  3  A  15  1  A   48.54  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A   71.01  
64  6  3  A  16  1  A   71.01  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A   35.65  
68  6  3  A  17  1  A   35.65  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A   26.05  
72  6  3  A  18  1  A   26.05  
73  3  2  A  19  1  A   14.01  
74  4  2  A  19  1  A   14.01  
75  5  3  A  19  1  A   26.05  
76  6  3  A  19  1  A   26.05  
77  3  2  A  20  1  A   14.01  
78  4  2  A  20  1  A   14.01  
79  5  3  A  20  1  A   48.54  
80  6  3  A  20  1  A   48.54  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.60  0.81  754  1026  
 2   2  1  A  A  0.61  0.78  754  1026  
 3   3  1  A  A  0.63  0.80  754  1026  
 4   4  1  A  A  0.62  0.82  754  1026  
 5   5  1  A  A  0.61  0.81  754  1026  
 6   6  1  A  A  0.63  0.78  754  1026  
 7   7  1  A  A  0.59  0.79  754  1026  
 8   8  1  A  A  0.63  0.80  754  1026  
 9   9  1  A  A  0.62  0.82  754  1026  
10  10  1  A  A  0.59  0.79  754  1026  
11  11  1  A  A  0.60  0.76  754  1026  
12  12  1  A  A  0.62  0.77  754  1026  
13  13  1  A  A  0.64  0.82  754  1026  
14  14  1  A  A  0.64  0.78  754  1026  
15  15  1  A  A  0.62  0.78  754  1026  
16  16  1  A  A  0.60  0.82  754  1026  
17  17  1  A  A  0.59  0.75  754  1026  
18  18  1  A  A  0.62  0.74  754  1026  
19  19  1  A  A  0.65  0.83  754  1026  
20  20  1  A  A  0.70  0.79  754  1026  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.70
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   2.21
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       3.00
_pdbx_vrpt_summary_geometry.clashscore                                 3.82
_pdbx_vrpt_summary_geometry.clashscore_full_length                     3.12
_pdbx_vrpt_summary_geometry.num_H_reduce                               14060
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             15080
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.79
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            20520
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.62
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            5
_pdbx_vrpt_summary_nmr.medoid_model                             5
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              4
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              87.36
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  72.96
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
   1   1  1  A   1  MET  A   1  .  ?        ?  
   2   1  1  A   2  HIS  A   2  .  ?        ?  
   3   1  1  A   3  THR  A   3  .  ?        ?  
   4   1  1  A   4  ASN  A   4  .  ?        ?  
   5   1  1  A   5  TRP  A   5  .  ?        ?  
   6   1  1  A   6  GLN  A   6  .  ?        ?  
   7   1  1  A   7  VAL  A   7  .  ?        ?  
   8   1  1  A   8  CYS  A   8  .  ?        ?  
   9   1  1  A   9  SER  A   9  .  ?        ?  
  10   1  1  A  10  LEU  A  10  .  ?        ?  
  11   1  1  A  11  VAL  A  11  .  ?        ?  
  12   1  1  A  12  VAL  A  12  .  ?        ?  
  13   1  1  A  13  GLN  A  13  .  ?        ?  
  14   1  1  A  14  ALA  A  14  .  ?        ?  
  15   1  1  A  15  LYS  A  15  .  ?        ?  
  16   1  1  A  16  SER  A  16  .  ?        ?  
  17   1  1  A  17  GLU  A  17  .  ?        ?  
  18   1  1  A  18  ARG  A  18  .  ?        ?  
  19   1  1  A  19  ILE  A  19  .  ?        ?  
  20   1  1  A  20  SER  A  20  .  ?        ?  
  21   1  1  A  21  ASP  A  21  .  ?        ?  
  22   1  1  A  22  ILE  A  22  .  ?        ?  
  23   1  1  A  23  SER  A  23  .  ?        ?  
  24   1  1  A  24  THR  A  24  .  ?        ?  
  25   1  1  A  25  GLN  A  25  .  ?        ?  
  26   1  1  A  26  LEU  A  26  .  ?        ?  
  27   1  1  A  27  ASN  A  27  .  ?        ?  
  28   1  1  A  28  ALA  A  28  .  ?        ?  
  29   1  1  A  29  PHE  A  29  .  ?        ?  
  30   1  1  A  30  PRO  A  30  .  ?        ?  
  31   1  1  A  31  GLY  A  31  .  ?        1  
  32   1  1  A  32  CYS  A  32  .  ?        ?  
  33   1  1  A  33  GLU  A  33  .  ?        ?  
  34   1  1  A  34  VAL  A  34  .  ?        ?  
  35   1  1  A  35  ALA  A  35  .  ?        ?  
  36   1  1  A  36  VAL  A  36  .  ?        ?  
  37   1  1  A  37  SER  A  37  .  ?        ?  
  38   1  1  A  38  ASP  A  38  .  ?        1  
  39   1  1  A  39  ALA  A  39  .  ?        1  
  40   1  1  A  40  PRO  A  40  .  ?        2  
  41   1  1  A  41  SER  A  41  .  ?        ?  
  42   1  1  A  42  GLY  A  42  .  ?        ?  
  43   1  1  A  43  GLN  A  43  .  ?        ?  
  44   1  1  A  44  LEU  A  44  .  ?        ?  
  45   1  1  A  45  ILE  A  45  .  ?        ?  
  46   1  1  A  46  VAL  A  46  .  ?        ?  
  47   1  1  A  47  VAL  A  47  .  ?        ?  
  48   1  1  A  48  VAL  A  48  .  ?        1  
  49   1  1  A  49  GLU  A  49  .  ?        ?  
  50   1  1  A  50  ALA  A  50  .  ?        ?  
  51   1  1  A  51  GLU  A  51  .  ?        ?  
  52   1  1  A  52  ASP  A  52  .  ?        ?  
  53   1  1  A  53  SER  A  53  .  ?        1  
  54   1  1  A  54  GLU  A  54  .  ?        ?  
  55   1  1  A  55  THR  A  55  .  ?        ?  
  56   1  1  A  56  LEU  A  56  .  ?        ?  
  57   1  1  A  57  ILE  A  57  .  ?        1  
  58   1  1  A  58  GLN  A  58  .  ?        ?  
  59   1  1  A  59  THR  A  59  .  ?        ?  
  60   1  1  A  60  ILE  A  60  .  ?        ?  
  61   1  1  A  61  GLU  A  61  .  ?        ?  
  62   1  1  A  62  SER  A  62  .  ?        ?  
  63   1  1  A  63  VAL  A  63  .  ?        ?  
  64   1  1  A  64  ARG  A  64  .  ?        ?  
  65   1  1  A  65  ASN  A  65  .  ?        ?  
  66   1  1  A  66  VAL  A  66  .  ?        ?  
  67   1  1  A  67  GLU  A  67  .  ?        ?  
  68   1  1  A  68  GLY  A  68  .  ?        ?  
  69   1  1  A  69  VAL  A  69  .  ?        ?  
  70   1  1  A  70  LEU  A  70  .  ?        ?  
  71   1  1  A  71  ALA  A  71  .  ?        ?  
  72   1  1  A  72  VAL  A  72  .  ?        ?  
  73   1  1  A  73  SER  A  73  .  ?        ?  
  74   1  1  A  74  LEU  A  74  .  ?        ?  
  75   1  1  A  75  VAL  A  75  .  ?        ?  
  76   1  1  A  76  TYR  A  76  .  ?        ?  
  77   1  1  A  77  HIS  A  77  .  ?        ?  
  78   1  1  A  78  GLN  A  78  .  ?        ?  
  79   1  1  A  79  GLN  A  79  .  ?        ?  
  80   1  1  A  80  GLU  A  80  .  ?        ?  
  81   1  1  A  81  GLU  A  81  .  ?        ?  
  82   1  1  A  82  GLN  A  82  .  ?        ?  
  83   1  1  A  83  GLY  A  83  .  ?        ?  
  84   1  1  A  84  GLU  A  84  .  ?        ?  
  85   1  1  A  85  GLU  A  85  .  ?        ?  
  86   1  1  A  86  THR  A  86  .  ?        ?  
  87   1  1  A  87  PRO  A  87  .  ?        ?  
  88   1  1  A  88  ARG  A  88  .  ?        ?  
  89   1  1  A  89  SER  A  89  .  ?        ?  
  90   1  1  A  90  HIS  A  90  .  ?        ?  
  91   1  1  A  91  HIS  A  91  .  ?        ?  
  92   1  1  A  92  HIS  A  92  .  ?        ?  
  93   1  1  A  93  HIS  A  93  .  ?        ?  
  94   1  1  A  94  HIS  A  94  .  ?        ?  
  95   1  1  A  95  HIS  A  95  .  ?        ?  
  96   2  1  A   1  MET  A   1  .  ?        ?  
  97   2  1  A   2  HIS  A   2  .  ?        ?  
  98   2  1  A   3  THR  A   3  .  ?        ?  
  99   2  1  A   4  ASN  A   4  .  ?        ?  
 100   2  1  A   5  TRP  A   5  .  ?        ?  
 101   2  1  A   6  GLN  A   6  .  ?        ?  
 102   2  1  A   7  VAL  A   7  .  ?        ?  
 103   2  1  A   8  CYS  A   8  .  ?        1  
 104   2  1  A   9  SER  A   9  .  ?        ?  
 105   2  1  A  10  LEU  A  10  .  ?        ?  
 106   2  1  A  11  VAL  A  11  .  ?        ?  
 107   2  1  A  12  VAL  A  12  .  ?        ?  
 108   2  1  A  13  GLN  A  13  .  ?        ?  
 109   2  1  A  14  ALA  A  14  .  ?        ?  
 110   2  1  A  15  LYS  A  15  .  ?        ?  
 111   2  1  A  16  SER  A  16  .  ?        ?  
 112   2  1  A  17  GLU  A  17  .  ?        ?  
 113   2  1  A  18  ARG  A  18  .  ?        ?  
 114   2  1  A  19  ILE  A  19  .  ?        ?  
 115   2  1  A  20  SER  A  20  .  ?        ?  
 116   2  1  A  21  ASP  A  21  .  ?        ?  
 117   2  1  A  22  ILE  A  22  .  ?        1  
 118   2  1  A  23  SER  A  23  .  ?        ?  
 119   2  1  A  24  THR  A  24  .  ?        ?  
 120   2  1  A  25  GLN  A  25  .  ?        ?  
 121   2  1  A  26  LEU  A  26  .  ?        1  
 122   2  1  A  27  ASN  A  27  .  ?        ?  
 123   2  1  A  28  ALA  A  28  .  ?        ?  
 124   2  1  A  29  PHE  A  29  .  ?        ?  
 125   2  1  A  30  PRO  A  30  .  ?        ?  
 126   2  1  A  31  GLY  A  31  .  ?        1  
 127   2  1  A  32  CYS  A  32  .  ?        ?  
 128   2  1  A  33  GLU  A  33  .  ?        ?  
 129   2  1  A  34  VAL  A  34  .  ?        ?  
 130   2  1  A  35  ALA  A  35  .  ?        ?  
 131   2  1  A  36  VAL  A  36  .  ?        ?  
 132   2  1  A  37  SER  A  37  .  ?        ?  
 133   2  1  A  38  ASP  A  38  .  ?        1  
 134   2  1  A  39  ALA  A  39  .  ?        1  
 135   2  1  A  40  PRO  A  40  .  ?        2  
 136   2  1  A  41  SER  A  41  .  ?        ?  
 137   2  1  A  42  GLY  A  42  .  ?        ?  
 138   2  1  A  43  GLN  A  43  .  ?        ?  
 139   2  1  A  44  LEU  A  44  .  ?        ?  
 140   2  1  A  45  ILE  A  45  .  ?        ?  
 141   2  1  A  46  VAL  A  46  .  ?        ?  
 142   2  1  A  47  VAL  A  47  .  ?        ?  
 143   2  1  A  48  VAL  A  48  .  ?        1  
 144   2  1  A  49  GLU  A  49  .  ?        ?  
 145   2  1  A  50  ALA  A  50  .  ?        ?  
 146   2  1  A  51  GLU  A  51  .  ?        ?  
 147   2  1  A  52  ASP  A  52  .  ?        ?  
 148   2  1  A  53  SER  A  53  .  ?        ?  
 149   2  1  A  54  GLU  A  54  .  ?        ?  
 150   2  1  A  55  THR  A  55  .  ?        ?  
 151   2  1  A  56  LEU  A  56  .  ?        1  
 152   2  1  A  57  ILE  A  57  .  ?        ?  
 153   2  1  A  58  GLN  A  58  .  ?        ?  
 154   2  1  A  59  THR  A  59  .  ?        ?  
 155   2  1  A  60  ILE  A  60  .  ?        ?  
 156   2  1  A  61  GLU  A  61  .  ?        ?  
 157   2  1  A  62  SER  A  62  .  ?        ?  
 158   2  1  A  63  VAL  A  63  .  ?        ?  
 159   2  1  A  64  ARG  A  64  .  ?        ?  
 160   2  1  A  65  ASN  A  65  .  ?        ?  
 161   2  1  A  66  VAL  A  66  .  ?        ?  
 162   2  1  A  67  GLU  A  67  .  ?        ?  
 163   2  1  A  68  GLY  A  68  .  ?        ?  
 164   2  1  A  69  VAL  A  69  .  ?        ?  
 165   2  1  A  70  LEU  A  70  .  ?        ?  
 166   2  1  A  71  ALA  A  71  .  ?        ?  
 167   2  1  A  72  VAL  A  72  .  ?        ?  
 168   2  1  A  73  SER  A  73  .  ?        ?  
 169   2  1  A  74  LEU  A  74  .  ?        ?  
 170   2  1  A  75  VAL  A  75  .  ?        ?  
 171   2  1  A  76  TYR  A  76  .  ?        ?  
 172   2  1  A  77  HIS  A  77  .  ?        ?  
 173   2  1  A  78  GLN  A  78  .  ?        ?  
 174   2  1  A  79  GLN  A  79  .  ?        ?  
 175   2  1  A  80  GLU  A  80  .  ?        ?  
 176   2  1  A  81  GLU  A  81  .  ?        ?  
 177   2  1  A  82  GLN  A  82  .  ?        ?  
 178   2  1  A  83  GLY  A  83  .  ?        ?  
 179   2  1  A  84  GLU  A  84  .  ?        ?  
 180   2  1  A  85  GLU  A  85  .  ?        ?  
 181   2  1  A  86  THR  A  86  .  ?        ?  
 182   2  1  A  87  PRO  A  87  .  ?        ?  
 183   2  1  A  88  ARG  A  88  .  ?        ?  
 184   2  1  A  89  SER  A  89  .  ?        ?  
 185   2  1  A  90  HIS  A  90  .  ?        ?  
 186   2  1  A  91  HIS  A  91  .  ?        ?  
 187   2  1  A  92  HIS  A  92  .  ?        ?  
 188   2  1  A  93  HIS  A  93  .  ?        ?  
 189   2  1  A  94  HIS  A  94  .  ?        ?  
 190   2  1  A  95  HIS  A  95  .  ?        ?  
 191   3  1  A   1  MET  A   1  .  ?        ?  
 192   3  1  A   2  HIS  A   2  .  ?        ?  
 193   3  1  A   3  THR  A   3  .  ?        ?  
 194   3  1  A   4  ASN  A   4  .  ?        ?  
 195   3  1  A   5  TRP  A   5  .  ?        ?  
 196   3  1  A   6  GLN  A   6  .  ?        ?  
 197   3  1  A   7  VAL  A   7  .  ?        ?  
 198   3  1  A   8  CYS  A   8  .  ?        ?  
 199   3  1  A   9  SER  A   9  .  ?        ?  
 200   3  1  A  10  LEU  A  10  .  ?        ?  
 201   3  1  A  11  VAL  A  11  .  ?        ?  
 202   3  1  A  12  VAL  A  12  .  ?        ?  
 203   3  1  A  13  GLN  A  13  .  ?        ?  
 204   3  1  A  14  ALA  A  14  .  ?        ?  
 205   3  1  A  15  LYS  A  15  .  ?        ?  
 206   3  1  A  16  SER  A  16  .  ?        ?  
 207   3  1  A  17  GLU  A  17  .  ?        ?  
 208   3  1  A  18  ARG  A  18  .  ?        ?  
 209   3  1  A  19  ILE  A  19  .  ?        ?  
 210   3  1  A  20  SER  A  20  .  ?        ?  
 211   3  1  A  21  ASP  A  21  .  ?        ?  
 212   3  1  A  22  ILE  A  22  .  ?        1  
 213   3  1  A  23  SER  A  23  .  ?        ?  
 214   3  1  A  24  THR  A  24  .  ?        ?  
 215   3  1  A  25  GLN  A  25  .  ?        ?  
 216   3  1  A  26  LEU  A  26  .  ?        1  
 217   3  1  A  27  ASN  A  27  .  ?        ?  
 218   3  1  A  28  ALA  A  28  .  ?        ?  
 219   3  1  A  29  PHE  A  29  .  ?        ?  
 220   3  1  A  30  PRO  A  30  .  ?        ?  
 221   3  1  A  31  GLY  A  31  .  ?        ?  
 222   3  1  A  32  CYS  A  32  .  ?        ?  
 223   3  1  A  33  GLU  A  33  .  ?        ?  
 224   3  1  A  34  VAL  A  34  .  ?        ?  
 225   3  1  A  35  ALA  A  35  .  ?        ?  
 226   3  1  A  36  VAL  A  36  .  ?        ?  
 227   3  1  A  37  SER  A  37  .  ?        ?  
 228   3  1  A  38  ASP  A  38  .  ?        ?  
 229   3  1  A  39  ALA  A  39  .  ?        1  
 230   3  1  A  40  PRO  A  40  .  ?        1  
 231   3  1  A  41  SER  A  41  .  ?        ?  
 232   3  1  A  42  GLY  A  42  .  ?        ?  
 233   3  1  A  43  GLN  A  43  .  ?        ?  
 234   3  1  A  44  LEU  A  44  .  ?        ?  
 235   3  1  A  45  ILE  A  45  .  ?        ?  
 236   3  1  A  46  VAL  A  46  .  ?        ?  
 237   3  1  A  47  VAL  A  47  .  ?        ?  
 238   3  1  A  48  VAL  A  48  .  ?        ?  
 239   3  1  A  49  GLU  A  49  .  ?        ?  
 240   3  1  A  50  ALA  A  50  .  ?        ?  
 241   3  1  A  51  GLU  A  51  .  ?        ?  
 242   3  1  A  52  ASP  A  52  .  ?        1  
 243   3  1  A  53  SER  A  53  .  ?        ?  
 244   3  1  A  54  GLU  A  54  .  ?        ?  
 245   3  1  A  55  THR  A  55  .  ?        1  
 246   3  1  A  56  LEU  A  56  .  ?        ?  
 247   3  1  A  57  ILE  A  57  .  ?        ?  
 248   3  1  A  58  GLN  A  58  .  ?        ?  
 249   3  1  A  59  THR  A  59  .  ?        ?  
 250   3  1  A  60  ILE  A  60  .  ?        ?  
 251   3  1  A  61  GLU  A  61  .  ?        ?  
 252   3  1  A  62  SER  A  62  .  ?        ?  
 253   3  1  A  63  VAL  A  63  .  ?        ?  
 254   3  1  A  64  ARG  A  64  .  ?        ?  
 255   3  1  A  65  ASN  A  65  .  ?        ?  
 256   3  1  A  66  VAL  A  66  .  ?        ?  
 257   3  1  A  67  GLU  A  67  .  ?        ?  
 258   3  1  A  68  GLY  A  68  .  ?        ?  
 259   3  1  A  69  VAL  A  69  .  ?        ?  
 260   3  1  A  70  LEU  A  70  .  ?        ?  
 261   3  1  A  71  ALA  A  71  .  ?        ?  
 262   3  1  A  72  VAL  A  72  .  ?        ?  
 263   3  1  A  73  SER  A  73  .  ?        ?  
 264   3  1  A  74  LEU  A  74  .  ?        ?  
 265   3  1  A  75  VAL  A  75  .  ?        ?  
 266   3  1  A  76  TYR  A  76  .  ?        ?  
 267   3  1  A  77  HIS  A  77  .  ?        ?  
 268   3  1  A  78  GLN  A  78  .  ?        ?  
 269   3  1  A  79  GLN  A  79  .  ?        ?  
 270   3  1  A  80  GLU  A  80  .  ?        ?  
 271   3  1  A  81  GLU  A  81  .  ?        ?  
 272   3  1  A  82  GLN  A  82  .  ?        ?  
 273   3  1  A  83  GLY  A  83  .  ?        ?  
 274   3  1  A  84  GLU  A  84  .  ?        ?  
 275   3  1  A  85  GLU  A  85  .  ?        ?  
 276   3  1  A  86  THR  A  86  .  ?        ?  
 277   3  1  A  87  PRO  A  87  .  ?        ?  
 278   3  1  A  88  ARG  A  88  .  ?        ?  
 279   3  1  A  89  SER  A  89  .  ?        ?  
 280   3  1  A  90  HIS  A  90  .  ?        ?  
 281   3  1  A  91  HIS  A  91  .  ?        ?  
 282   3  1  A  92  HIS  A  92  .  ?        ?  
 283   3  1  A  93  HIS  A  93  .  ?        ?  
 284   3  1  A  94  HIS  A  94  .  ?        ?  
 285   3  1  A  95  HIS  A  95  .  ?        ?  
 286   4  1  A   1  MET  A   1  .  ?        ?  
 287   4  1  A   2  HIS  A   2  .  ?        ?  
 288   4  1  A   3  THR  A   3  .  ?        ?  
 289   4  1  A   4  ASN  A   4  .  ?        ?  
 290   4  1  A   5  TRP  A   5  .  ?        2  
 291   4  1  A   6  GLN  A   6  .  ?        ?  
 292   4  1  A   7  VAL  A   7  .  ?        ?  
 293   4  1  A   8  CYS  A   8  .  ?        ?  
 294   4  1  A   9  SER  A   9  .  ?        ?  
 295   4  1  A  10  LEU  A  10  .  ?        ?  
 296   4  1  A  11  VAL  A  11  .  ?        ?  
 297   4  1  A  12  VAL  A  12  .  ?        ?  
 298   4  1  A  13  GLN  A  13  .  ?        ?  
 299   4  1  A  14  ALA  A  14  .  ?        ?  
 300   4  1  A  15  LYS  A  15  .  ?        ?  
 301   4  1  A  16  SER  A  16  .  ?        ?  
 302   4  1  A  17  GLU  A  17  .  ?        ?  
 303   4  1  A  18  ARG  A  18  .  ?        ?  
 304   4  1  A  19  ILE  A  19  .  ?        ?  
 305   4  1  A  20  SER  A  20  .  ?        ?  
 306   4  1  A  21  ASP  A  21  .  ?        ?  
 307   4  1  A  22  ILE  A  22  .  ?        ?  
 308   4  1  A  23  SER  A  23  .  ?        ?  
 309   4  1  A  24  THR  A  24  .  ?        ?  
 310   4  1  A  25  GLN  A  25  .  ?        ?  
 311   4  1  A  26  LEU  A  26  .  ?        ?  
 312   4  1  A  27  ASN  A  27  .  ?        ?  
 313   4  1  A  28  ALA  A  28  .  ?        ?  
 314   4  1  A  29  PHE  A  29  .  ?        ?  
 315   4  1  A  30  PRO  A  30  .  ?        ?  
 316   4  1  A  31  GLY  A  31  .  ?        ?  
 317   4  1  A  32  CYS  A  32  .  ?        ?  
 318   4  1  A  33  GLU  A  33  .  ?        ?  
 319   4  1  A  34  VAL  A  34  .  ?        ?  
 320   4  1  A  35  ALA  A  35  .  ?        ?  
 321   4  1  A  36  VAL  A  36  .  ?        ?  
 322   4  1  A  37  SER  A  37  .  ?        ?  
 323   4  1  A  38  ASP  A  38  .  ?        1  
 324   4  1  A  39  ALA  A  39  .  ?        1  
 325   4  1  A  40  PRO  A  40  .  ?        2  
 326   4  1  A  41  SER  A  41  .  ?        ?  
 327   4  1  A  42  GLY  A  42  .  ?        ?  
 328   4  1  A  43  GLN  A  43  .  ?        ?  
 329   4  1  A  44  LEU  A  44  .  ?        ?  
 330   4  1  A  45  ILE  A  45  .  ?        ?  
 331   4  1  A  46  VAL  A  46  .  ?        ?  
 332   4  1  A  47  VAL  A  47  .  ?        ?  
 333   4  1  A  48  VAL  A  48  .  ?        ?  
 334   4  1  A  49  GLU  A  49  .  ?        2  
 335   4  1  A  50  ALA  A  50  .  ?        ?  
 336   4  1  A  51  GLU  A  51  .  ?        ?  
 337   4  1  A  52  ASP  A  52  .  ?        ?  
 338   4  1  A  53  SER  A  53  .  ?        ?  
 339   4  1  A  54  GLU  A  54  .  ?        ?  
 340   4  1  A  55  THR  A  55  .  ?        ?  
 341   4  1  A  56  LEU  A  56  .  ?        ?  
 342   4  1  A  57  ILE  A  57  .  ?        ?  
 343   4  1  A  58  GLN  A  58  .  ?        ?  
 344   4  1  A  59  THR  A  59  .  ?        ?  
 345   4  1  A  60  ILE  A  60  .  ?        ?  
 346   4  1  A  61  GLU  A  61  .  ?        ?  
 347   4  1  A  62  SER  A  62  .  ?        ?  
 348   4  1  A  63  VAL  A  63  .  ?        ?  
 349   4  1  A  64  ARG  A  64  .  ?        ?  
 350   4  1  A  65  ASN  A  65  .  ?        ?  
 351   4  1  A  66  VAL  A  66  .  ?        ?  
 352   4  1  A  67  GLU  A  67  .  ?        ?  
 353   4  1  A  68  GLY  A  68  .  ?        ?  
 354   4  1  A  69  VAL  A  69  .  ?        ?  
 355   4  1  A  70  LEU  A  70  .  ?        ?  
 356   4  1  A  71  ALA  A  71  .  ?        ?  
 357   4  1  A  72  VAL  A  72  .  ?        ?  
 358   4  1  A  73  SER  A  73  .  ?        ?  
 359   4  1  A  74  LEU  A  74  .  ?        ?  
 360   4  1  A  75  VAL  A  75  .  ?        ?  
 361   4  1  A  76  TYR  A  76  .  ?        ?  
 362   4  1  A  77  HIS  A  77  .  ?        ?  
 363   4  1  A  78  GLN  A  78  .  ?        ?  
 364   4  1  A  79  GLN  A  79  .  ?        ?  
 365   4  1  A  80  GLU  A  80  .  ?        ?  
 366   4  1  A  81  GLU  A  81  .  ?        ?  
 367   4  1  A  82  GLN  A  82  .  ?        ?  
 368   4  1  A  83  GLY  A  83  .  ?        ?  
 369   4  1  A  84  GLU  A  84  .  ?        ?  
 370   4  1  A  85  GLU  A  85  .  ?        ?  
 371   4  1  A  86  THR  A  86  .  ?        ?  
 372   4  1  A  87  PRO  A  87  .  ?        ?  
 373   4  1  A  88  ARG  A  88  .  ?        ?  
 374   4  1  A  89  SER  A  89  .  ?        ?  
 375   4  1  A  90  HIS  A  90  .  ?        ?  
 376   4  1  A  91  HIS  A  91  .  ?        ?  
 377   4  1  A  92  HIS  A  92  .  ?        ?  
 378   4  1  A  93  HIS  A  93  .  ?        ?  
 379   4  1  A  94  HIS  A  94  .  ?        ?  
 380   4  1  A  95  HIS  A  95  .  ?        ?  
 381   5  1  A   1  MET  A   1  .  ?        ?  
 382   5  1  A   2  HIS  A   2  .  ?        ?  
 383   5  1  A   3  THR  A   3  .  ?        ?  
 384   5  1  A   4  ASN  A   4  .  ?        ?  
 385   5  1  A   5  TRP  A   5  .  ?        ?  
 386   5  1  A   6  GLN  A   6  .  ?        ?  
 387   5  1  A   7  VAL  A   7  .  ?        ?  
 388   5  1  A   8  CYS  A   8  .  ?        1  
 389   5  1  A   9  SER  A   9  .  ?        ?  
 390   5  1  A  10  LEU  A  10  .  ?        ?  
 391   5  1  A  11  VAL  A  11  .  ?        ?  
 392   5  1  A  12  VAL  A  12  .  ?        ?  
 393   5  1  A  13  GLN  A  13  .  ?        ?  
 394   5  1  A  14  ALA  A  14  .  ?        ?  
 395   5  1  A  15  LYS  A  15  .  ?        1  
 396   5  1  A  16  SER  A  16  .  ?        ?  
 397   5  1  A  17  GLU  A  17  .  ?        ?  
 398   5  1  A  18  ARG  A  18  .  ?        ?  
 399   5  1  A  19  ILE  A  19  .  ?        1  
 400   5  1  A  20  SER  A  20  .  ?        ?  
 401   5  1  A  21  ASP  A  21  .  ?        ?  
 402   5  1  A  22  ILE  A  22  .  ?        ?  
 403   5  1  A  23  SER  A  23  .  ?        ?  
 404   5  1  A  24  THR  A  24  .  ?        ?  
 405   5  1  A  25  GLN  A  25  .  ?        ?  
 406   5  1  A  26  LEU  A  26  .  ?        ?  
 407   5  1  A  27  ASN  A  27  .  ?        ?  
 408   5  1  A  28  ALA  A  28  .  ?        ?  
 409   5  1  A  29  PHE  A  29  .  ?        ?  
 410   5  1  A  30  PRO  A  30  .  ?        ?  
 411   5  1  A  31  GLY  A  31  .  ?        ?  
 412   5  1  A  32  CYS  A  32  .  ?        ?  
 413   5  1  A  33  GLU  A  33  .  ?        ?  
 414   5  1  A  34  VAL  A  34  .  ?        ?  
 415   5  1  A  35  ALA  A  35  .  ?        ?  
 416   5  1  A  36  VAL  A  36  .  ?        ?  
 417   5  1  A  37  SER  A  37  .  ?        ?  
 418   5  1  A  38  ASP  A  38  .  ?        ?  
 419   5  1  A  39  ALA  A  39  .  ?        1  
 420   5  1  A  40  PRO  A  40  .  ?        1  
 421   5  1  A  41  SER  A  41  .  ?        ?  
 422   5  1  A  42  GLY  A  42  .  ?        1  
 423   5  1  A  43  GLN  A  43  .  ?        ?  
 424   5  1  A  44  LEU  A  44  .  ?        ?  
 425   5  1  A  45  ILE  A  45  .  ?        ?  
 426   5  1  A  46  VAL  A  46  .  ?        ?  
 427   5  1  A  47  VAL  A  47  .  ?        ?  
 428   5  1  A  48  VAL  A  48  .  ?        1  
 429   5  1  A  49  GLU  A  49  .  ?        ?  
 430   5  1  A  50  ALA  A  50  .  ?        ?  
 431   5  1  A  51  GLU  A  51  .  ?        ?  
 432   5  1  A  52  ASP  A  52  .  ?        ?  
 433   5  1  A  53  SER  A  53  .  ?        2  
 434   5  1  A  54  GLU  A  54  .  ?        ?  
 435   5  1  A  55  THR  A  55  .  ?        ?  
 436   5  1  A  56  LEU  A  56  .  ?        ?  
 437   5  1  A  57  ILE  A  57  .  ?        1  
 438   5  1  A  58  GLN  A  58  .  ?        ?  
 439   5  1  A  59  THR  A  59  .  ?        ?  
 440   5  1  A  60  ILE  A  60  .  ?        ?  
 441   5  1  A  61  GLU  A  61  .  ?        ?  
 442   5  1  A  62  SER  A  62  .  ?        ?  
 443   5  1  A  63  VAL  A  63  .  ?        ?  
 444   5  1  A  64  ARG  A  64  .  ?        ?  
 445   5  1  A  65  ASN  A  65  .  ?        ?  
 446   5  1  A  66  VAL  A  66  .  ?        ?  
 447   5  1  A  67  GLU  A  67  .  ?        ?  
 448   5  1  A  68  GLY  A  68  .  ?        1  
 449   5  1  A  69  VAL  A  69  .  ?        ?  
 450   5  1  A  70  LEU  A  70  .  ?        ?  
 451   5  1  A  71  ALA  A  71  .  ?        ?  
 452   5  1  A  72  VAL  A  72  .  ?        ?  
 453   5  1  A  73  SER  A  73  .  ?        ?  
 454   5  1  A  74  LEU  A  74  .  ?        ?  
 455   5  1  A  75  VAL  A  75  .  ?        ?  
 456   5  1  A  76  TYR  A  76  .  ?        ?  
 457   5  1  A  77  HIS  A  77  .  ?        ?  
 458   5  1  A  78  GLN  A  78  .  ?        ?  
 459   5  1  A  79  GLN  A  79  .  ?        ?  
 460   5  1  A  80  GLU  A  80  .  ?        1  
 461   5  1  A  81  GLU  A  81  .  ?        ?  
 462   5  1  A  82  GLN  A  82  .  ?        ?  
 463   5  1  A  83  GLY  A  83  .  ?        ?  
 464   5  1  A  84  GLU  A  84  .  ?        ?  
 465   5  1  A  85  GLU  A  85  .  ?        ?  
 466   5  1  A  86  THR  A  86  .  ?        ?  
 467   5  1  A  87  PRO  A  87  .  ?        ?  
 468   5  1  A  88  ARG  A  88  .  ?        ?  
 469   5  1  A  89  SER  A  89  .  ?        ?  
 470   5  1  A  90  HIS  A  90  .  ?        ?  
 471   5  1  A  91  HIS  A  91  .  ?        ?  
 472   5  1  A  92  HIS  A  92  .  ?        ?  
 473   5  1  A  93  HIS  A  93  .  ?        ?  
 474   5  1  A  94  HIS  A  94  .  ?        ?  
 475   5  1  A  95  HIS  A  95  .  ?        ?  
 476   6  1  A   1  MET  A   1  .  ?        ?  
 477   6  1  A   2  HIS  A   2  .  ?        ?  
 478   6  1  A   3  THR  A   3  .  ?        ?  
 479   6  1  A   4  ASN  A   4  .  ?        ?  
 480   6  1  A   5  TRP  A   5  .  ?        ?  
 481   6  1  A   6  GLN  A   6  .  ?        ?  
 482   6  1  A   7  VAL  A   7  .  ?        ?  
 483   6  1  A   8  CYS  A   8  .  ?        1  
 484   6  1  A   9  SER  A   9  .  ?        ?  
 485   6  1  A  10  LEU  A  10  .  ?        ?  
 486   6  1  A  11  VAL  A  11  .  ?        ?  
 487   6  1  A  12  VAL  A  12  .  ?        ?  
 488   6  1  A  13  GLN  A  13  .  ?        ?  
 489   6  1  A  14  ALA  A  14  .  ?        ?  
 490   6  1  A  15  LYS  A  15  .  ?        ?  
 491   6  1  A  16  SER  A  16  .  ?        ?  
 492   6  1  A  17  GLU  A  17  .  ?        ?  
 493   6  1  A  18  ARG  A  18  .  ?        ?  
 494   6  1  A  19  ILE  A  19  .  ?        ?  
 495   6  1  A  20  SER  A  20  .  ?        ?  
 496   6  1  A  21  ASP  A  21  .  ?        ?  
 497   6  1  A  22  ILE  A  22  .  ?        1  
 498   6  1  A  23  SER  A  23  .  ?        ?  
 499   6  1  A  24  THR  A  24  .  ?        ?  
 500   6  1  A  25  GLN  A  25  .  ?        ?  
 501   6  1  A  26  LEU  A  26  .  ?        1  
 502   6  1  A  27  ASN  A  27  .  ?        ?  
 503   6  1  A  28  ALA  A  28  .  ?        ?  
 504   6  1  A  29  PHE  A  29  .  ?        ?  
 505   6  1  A  30  PRO  A  30  .  ?        ?  
 506   6  1  A  31  GLY  A  31  .  ?        ?  
 507   6  1  A  32  CYS  A  32  .  ?        ?  
 508   6  1  A  33  GLU  A  33  .  ?        ?  
 509   6  1  A  34  VAL  A  34  .  ?        ?  
 510   6  1  A  35  ALA  A  35  .  ?        ?  
 511   6  1  A  36  VAL  A  36  .  ?        ?  
 512   6  1  A  37  SER  A  37  .  ?        ?  
 513   6  1  A  38  ASP  A  38  .  ?        1  
 514   6  1  A  39  ALA  A  39  .  ?        1  
 515   6  1  A  40  PRO  A  40  .  ?        2  
 516   6  1  A  41  SER  A  41  .  ?        ?  
 517   6  1  A  42  GLY  A  42  .  ?        ?  
 518   6  1  A  43  GLN  A  43  .  ?        ?  
 519   6  1  A  44  LEU  A  44  .  ?        ?  
 520   6  1  A  45  ILE  A  45  .  ?        ?  
 521   6  1  A  46  VAL  A  46  .  ?        ?  
 522   6  1  A  47  VAL  A  47  .  ?        ?  
 523   6  1  A  48  VAL  A  48  .  ?        ?  
 524   6  1  A  49  GLU  A  49  .  ?        ?  
 525   6  1  A  50  ALA  A  50  .  ?        ?  
 526   6  1  A  51  GLU  A  51  .  ?        ?  
 527   6  1  A  52  ASP  A  52  .  ?        1  
 528   6  1  A  53  SER  A  53  .  ?        1  
 529   6  1  A  54  GLU  A  54  .  ?        1  
 530   6  1  A  55  THR  A  55  .  ?        ?  
 531   6  1  A  56  LEU  A  56  .  ?        1  
 532   6  1  A  57  ILE  A  57  .  ?        1  
 533   6  1  A  58  GLN  A  58  .  ?        ?  
 534   6  1  A  59  THR  A  59  .  ?        ?  
 535   6  1  A  60  ILE  A  60  .  ?        1  
 536   6  1  A  61  GLU  A  61  .  ?        ?  
 537   6  1  A  62  SER  A  62  .  ?        ?  
 538   6  1  A  63  VAL  A  63  .  ?        ?  
 539   6  1  A  64  ARG  A  64  .  ?        1  
 540   6  1  A  65  ASN  A  65  .  ?        ?  
 541   6  1  A  66  VAL  A  66  .  ?        ?  
 542   6  1  A  67  GLU  A  67  .  ?        ?  
 543   6  1  A  68  GLY  A  68  .  ?        ?  
 544   6  1  A  69  VAL  A  69  .  ?        ?  
 545   6  1  A  70  LEU  A  70  .  ?        ?  
 546   6  1  A  71  ALA  A  71  .  ?        ?  
 547   6  1  A  72  VAL  A  72  .  ?        ?  
 548   6  1  A  73  SER  A  73  .  ?        ?  
 549   6  1  A  74  LEU  A  74  .  ?        ?  
 550   6  1  A  75  VAL  A  75  .  ?        ?  
 551   6  1  A  76  TYR  A  76  .  ?        ?  
 552   6  1  A  77  HIS  A  77  .  ?        ?  
 553   6  1  A  78  GLN  A  78  .  ?        ?  
 554   6  1  A  79  GLN  A  79  .  ?        ?  
 555   6  1  A  80  GLU  A  80  .  ?        ?  
 556   6  1  A  81  GLU  A  81  .  ?        ?  
 557   6  1  A  82  GLN  A  82  .  ?        ?  
 558   6  1  A  83  GLY  A  83  .  ?        ?  
 559   6  1  A  84  GLU  A  84  .  ?        ?  
 560   6  1  A  85  GLU  A  85  .  ?        ?  
 561   6  1  A  86  THR  A  86  .  ?        ?  
 562   6  1  A  87  PRO  A  87  .  ?        ?  
 563   6  1  A  88  ARG  A  88  .  ?        ?  
 564   6  1  A  89  SER  A  89  .  ?        ?  
 565   6  1  A  90  HIS  A  90  .  ?        ?  
 566   6  1  A  91  HIS  A  91  .  ?        ?  
 567   6  1  A  92  HIS  A  92  .  ?        ?  
 568   6  1  A  93  HIS  A  93  .  ?        ?  
 569   6  1  A  94  HIS  A  94  .  ?        ?  
 570   6  1  A  95  HIS  A  95  .  ?        ?  
 571   7  1  A   1  MET  A   1  .  ?        ?  
 572   7  1  A   2  HIS  A   2  .  ?        ?  
 573   7  1  A   3  THR  A   3  .  ?        ?  
 574   7  1  A   4  ASN  A   4  .  ?        ?  
 575   7  1  A   5  TRP  A   5  .  ?        ?  
 576   7  1  A   6  GLN  A   6  .  ?        ?  
 577   7  1  A   7  VAL  A   7  .  ?        ?  
 578   7  1  A   8  CYS  A   8  .  ?        1  
 579   7  1  A   9  SER  A   9  .  ?        ?  
 580   7  1  A  10  LEU  A  10  .  ?        ?  
 581   7  1  A  11  VAL  A  11  .  ?        ?  
 582   7  1  A  12  VAL  A  12  .  ?        ?  
 583   7  1  A  13  GLN  A  13  .  ?        ?  
 584   7  1  A  14  ALA  A  14  .  ?        ?  
 585   7  1  A  15  LYS  A  15  .  ?        ?  
 586   7  1  A  16  SER  A  16  .  ?        ?  
 587   7  1  A  17  GLU  A  17  .  ?        ?  
 588   7  1  A  18  ARG  A  18  .  ?        ?  
 589   7  1  A  19  ILE  A  19  .  ?        ?  
 590   7  1  A  20  SER  A  20  .  ?        ?  
 591   7  1  A  21  ASP  A  21  .  ?        ?  
 592   7  1  A  22  ILE  A  22  .  ?        1  
 593   7  1  A  23  SER  A  23  .  ?        ?  
 594   7  1  A  24  THR  A  24  .  ?        ?  
 595   7  1  A  25  GLN  A  25  .  ?        ?  
 596   7  1  A  26  LEU  A  26  .  ?        1  
 597   7  1  A  27  ASN  A  27  .  ?        ?  
 598   7  1  A  28  ALA  A  28  .  ?        ?  
 599   7  1  A  29  PHE  A  29  .  ?        ?  
 600   7  1  A  30  PRO  A  30  .  ?        ?  
 601   7  1  A  31  GLY  A  31  .  ?        ?  
 602   7  1  A  32  CYS  A  32  .  ?        ?  
 603   7  1  A  33  GLU  A  33  .  ?        ?  
 604   7  1  A  34  VAL  A  34  .  ?        ?  
 605   7  1  A  35  ALA  A  35  .  ?        ?  
 606   7  1  A  36  VAL  A  36  .  ?        ?  
 607   7  1  A  37  SER  A  37  .  ?        ?  
 608   7  1  A  38  ASP  A  38  .  ?        ?  
 609   7  1  A  39  ALA  A  39  .  ?        1  
 610   7  1  A  40  PRO  A  40  .  ?        1  
 611   7  1  A  41  SER  A  41  .  ?        ?  
 612   7  1  A  42  GLY  A  42  .  ?        ?  
 613   7  1  A  43  GLN  A  43  .  ?        ?  
 614   7  1  A  44  LEU  A  44  .  ?        ?  
 615   7  1  A  45  ILE  A  45  .  ?        ?  
 616   7  1  A  46  VAL  A  46  .  ?        ?  
 617   7  1  A  47  VAL  A  47  .  ?        ?  
 618   7  1  A  48  VAL  A  48  .  ?        1  
 619   7  1  A  49  GLU  A  49  .  ?        ?  
 620   7  1  A  50  ALA  A  50  .  ?        ?  
 621   7  1  A  51  GLU  A  51  .  ?        ?  
 622   7  1  A  52  ASP  A  52  .  ?        ?  
 623   7  1  A  53  SER  A  53  .  ?        ?  
 624   7  1  A  54  GLU  A  54  .  ?        ?  
 625   7  1  A  55  THR  A  55  .  ?        ?  
 626   7  1  A  56  LEU  A  56  .  ?        ?  
 627   7  1  A  57  ILE  A  57  .  ?        ?  
 628   7  1  A  58  GLN  A  58  .  ?        ?  
 629   7  1  A  59  THR  A  59  .  ?        ?  
 630   7  1  A  60  ILE  A  60  .  ?        ?  
 631   7  1  A  61  GLU  A  61  .  ?        ?  
 632   7  1  A  62  SER  A  62  .  ?        ?  
 633   7  1  A  63  VAL  A  63  .  ?        ?  
 634   7  1  A  64  ARG  A  64  .  ?        ?  
 635   7  1  A  65  ASN  A  65  .  ?        ?  
 636   7  1  A  66  VAL  A  66  .  ?        ?  
 637   7  1  A  67  GLU  A  67  .  ?        ?  
 638   7  1  A  68  GLY  A  68  .  ?        ?  
 639   7  1  A  69  VAL  A  69  .  ?        ?  
 640   7  1  A  70  LEU  A  70  .  ?        ?  
 641   7  1  A  71  ALA  A  71  .  ?        ?  
 642   7  1  A  72  VAL  A  72  .  ?        ?  
 643   7  1  A  73  SER  A  73  .  ?        ?  
 644   7  1  A  74  LEU  A  74  .  ?        ?  
 645   7  1  A  75  VAL  A  75  .  ?        ?  
 646   7  1  A  76  TYR  A  76  .  ?        ?  
 647   7  1  A  77  HIS  A  77  .  ?        ?  
 648   7  1  A  78  GLN  A  78  .  ?        ?  
 649   7  1  A  79  GLN  A  79  .  ?        1  
 650   7  1  A  80  GLU  A  80  .  ?        ?  
 651   7  1  A  81  GLU  A  81  .  ?        ?  
 652   7  1  A  82  GLN  A  82  .  ?        1  
 653   7  1  A  83  GLY  A  83  .  ?        ?  
 654   7  1  A  84  GLU  A  84  .  ?        ?  
 655   7  1  A  85  GLU  A  85  .  ?        ?  
 656   7  1  A  86  THR  A  86  .  ?        ?  
 657   7  1  A  87  PRO  A  87  .  ?        ?  
 658   7  1  A  88  ARG  A  88  .  ?        ?  
 659   7  1  A  89  SER  A  89  .  ?        ?  
 660   7  1  A  90  HIS  A  90  .  ?        ?  
 661   7  1  A  91  HIS  A  91  .  ?        ?  
 662   7  1  A  92  HIS  A  92  .  ?        ?  
 663   7  1  A  93  HIS  A  93  .  ?        ?  
 664   7  1  A  94  HIS  A  94  .  ?        ?  
 665   7  1  A  95  HIS  A  95  .  ?        ?  
 666   8  1  A   1  MET  A   1  .  ?        1  
 667   8  1  A   2  HIS  A   2  .  ?        1  
 668   8  1  A   3  THR  A   3  .  ?        1  
 669   8  1  A   4  ASN  A   4  .  ?        ?  
 670   8  1  A   5  TRP  A   5  .  ?        2  
 671   8  1  A   6  GLN  A   6  .  ?        ?  
 672   8  1  A   7  VAL  A   7  .  ?        ?  
 673   8  1  A   8  CYS  A   8  .  ?        1  
 674   8  1  A   9  SER  A   9  .  ?        ?  
 675   8  1  A  10  LEU  A  10  .  ?        ?  
 676   8  1  A  11  VAL  A  11  .  ?        ?  
 677   8  1  A  12  VAL  A  12  .  ?        ?  
 678   8  1  A  13  GLN  A  13  .  ?        ?  
 679   8  1  A  14  ALA  A  14  .  ?        ?  
 680   8  1  A  15  LYS  A  15  .  ?        ?  
 681   8  1  A  16  SER  A  16  .  ?        ?  
 682   8  1  A  17  GLU  A  17  .  ?        ?  
 683   8  1  A  18  ARG  A  18  .  ?        ?  
 684   8  1  A  19  ILE  A  19  .  ?        ?  
 685   8  1  A  20  SER  A  20  .  ?        ?  
 686   8  1  A  21  ASP  A  21  .  ?        ?  
 687   8  1  A  22  ILE  A  22  .  ?        1  
 688   8  1  A  23  SER  A  23  .  ?        ?  
 689   8  1  A  24  THR  A  24  .  ?        ?  
 690   8  1  A  25  GLN  A  25  .  ?        ?  
 691   8  1  A  26  LEU  A  26  .  ?        1  
 692   8  1  A  27  ASN  A  27  .  ?        ?  
 693   8  1  A  28  ALA  A  28  .  ?        ?  
 694   8  1  A  29  PHE  A  29  .  ?        ?  
 695   8  1  A  30  PRO  A  30  .  ?        ?  
 696   8  1  A  31  GLY  A  31  .  ?        ?  
 697   8  1  A  32  CYS  A  32  .  ?        ?  
 698   8  1  A  33  GLU  A  33  .  ?        ?  
 699   8  1  A  34  VAL  A  34  .  ?        ?  
 700   8  1  A  35  ALA  A  35  .  ?        ?  
 701   8  1  A  36  VAL  A  36  .  ?        ?  
 702   8  1  A  37  SER  A  37  .  ?        ?  
 703   8  1  A  38  ASP  A  38  .  ?        ?  
 704   8  1  A  39  ALA  A  39  .  ?        1  
 705   8  1  A  40  PRO  A  40  .  ?        1  
 706   8  1  A  41  SER  A  41  .  ?        ?  
 707   8  1  A  42  GLY  A  42  .  ?        ?  
 708   8  1  A  43  GLN  A  43  .  ?        ?  
 709   8  1  A  44  LEU  A  44  .  ?        ?  
 710   8  1  A  45  ILE  A  45  .  ?        ?  
 711   8  1  A  46  VAL  A  46  .  ?        ?  
 712   8  1  A  47  VAL  A  47  .  ?        ?  
 713   8  1  A  48  VAL  A  48  .  ?        1  
 714   8  1  A  49  GLU  A  49  .  ?        2  
 715   8  1  A  50  ALA  A  50  .  ?        ?  
 716   8  1  A  51  GLU  A  51  .  ?        1  
 717   8  1  A  52  ASP  A  52  .  ?        ?  
 718   8  1  A  53  SER  A  53  .  ?        1  
 719   8  1  A  54  GLU  A  54  .  ?        ?  
 720   8  1  A  55  THR  A  55  .  ?        ?  
 721   8  1  A  56  LEU  A  56  .  ?        ?  
 722   8  1  A  57  ILE  A  57  .  ?        1  
 723   8  1  A  58  GLN  A  58  .  ?        ?  
 724   8  1  A  59  THR  A  59  .  ?        ?  
 725   8  1  A  60  ILE  A  60  .  ?        ?  
 726   8  1  A  61  GLU  A  61  .  ?        ?  
 727   8  1  A  62  SER  A  62  .  ?        ?  
 728   8  1  A  63  VAL  A  63  .  ?        ?  
 729   8  1  A  64  ARG  A  64  .  ?        ?  
 730   8  1  A  65  ASN  A  65  .  ?        ?  
 731   8  1  A  66  VAL  A  66  .  ?        ?  
 732   8  1  A  67  GLU  A  67  .  ?        ?  
 733   8  1  A  68  GLY  A  68  .  ?        ?  
 734   8  1  A  69  VAL  A  69  .  ?        ?  
 735   8  1  A  70  LEU  A  70  .  ?        ?  
 736   8  1  A  71  ALA  A  71  .  ?        ?  
 737   8  1  A  72  VAL  A  72  .  ?        ?  
 738   8  1  A  73  SER  A  73  .  ?        ?  
 739   8  1  A  74  LEU  A  74  .  ?        ?  
 740   8  1  A  75  VAL  A  75  .  ?        ?  
 741   8  1  A  76  TYR  A  76  .  ?        ?  
 742   8  1  A  77  HIS  A  77  .  ?        ?  
 743   8  1  A  78  GLN  A  78  .  ?        ?  
 744   8  1  A  79  GLN  A  79  .  ?        ?  
 745   8  1  A  80  GLU  A  80  .  ?        ?  
 746   8  1  A  81  GLU  A  81  .  ?        ?  
 747   8  1  A  82  GLN  A  82  .  ?        ?  
 748   8  1  A  83  GLY  A  83  .  ?        ?  
 749   8  1  A  84  GLU  A  84  .  ?        ?  
 750   8  1  A  85  GLU  A  85  .  ?        ?  
 751   8  1  A  86  THR  A  86  .  ?        ?  
 752   8  1  A  87  PRO  A  87  .  ?        ?  
 753   8  1  A  88  ARG  A  88  .  ?        ?  
 754   8  1  A  89  SER  A  89  .  ?        ?  
 755   8  1  A  90  HIS  A  90  .  ?        ?  
 756   8  1  A  91  HIS  A  91  .  ?        ?  
 757   8  1  A  92  HIS  A  92  .  ?        ?  
 758   8  1  A  93  HIS  A  93  .  ?        ?  
 759   8  1  A  94  HIS  A  94  .  ?        ?  
 760   8  1  A  95  HIS  A  95  .  ?        ?  
 761   9  1  A   1  MET  A   1  .  ?        ?  
 762   9  1  A   2  HIS  A   2  .  ?        ?  
 763   9  1  A   3  THR  A   3  .  ?        ?  
 764   9  1  A   4  ASN  A   4  .  ?        ?  
 765   9  1  A   5  TRP  A   5  .  ?        ?  
 766   9  1  A   6  GLN  A   6  .  ?        ?  
 767   9  1  A   7  VAL  A   7  .  ?        ?  
 768   9  1  A   8  CYS  A   8  .  ?        ?  
 769   9  1  A   9  SER  A   9  .  ?        ?  
 770   9  1  A  10  LEU  A  10  .  ?        ?  
 771   9  1  A  11  VAL  A  11  .  ?        ?  
 772   9  1  A  12  VAL  A  12  .  ?        ?  
 773   9  1  A  13  GLN  A  13  .  ?        ?  
 774   9  1  A  14  ALA  A  14  .  ?        ?  
 775   9  1  A  15  LYS  A  15  .  ?        ?  
 776   9  1  A  16  SER  A  16  .  ?        ?  
 777   9  1  A  17  GLU  A  17  .  ?        ?  
 778   9  1  A  18  ARG  A  18  .  ?        ?  
 779   9  1  A  19  ILE  A  19  .  ?        ?  
 780   9  1  A  20  SER  A  20  .  ?        ?  
 781   9  1  A  21  ASP  A  21  .  ?        ?  
 782   9  1  A  22  ILE  A  22  .  ?        1  
 783   9  1  A  23  SER  A  23  .  ?        ?  
 784   9  1  A  24  THR  A  24  .  ?        ?  
 785   9  1  A  25  GLN  A  25  .  ?        ?  
 786   9  1  A  26  LEU  A  26  .  ?        1  
 787   9  1  A  27  ASN  A  27  .  ?        ?  
 788   9  1  A  28  ALA  A  28  .  ?        ?  
 789   9  1  A  29  PHE  A  29  .  ?        1  
 790   9  1  A  30  PRO  A  30  .  ?        ?  
 791   9  1  A  31  GLY  A  31  .  ?        ?  
 792   9  1  A  32  CYS  A  32  .  ?        1  
 793   9  1  A  33  GLU  A  33  .  ?        ?  
 794   9  1  A  34  VAL  A  34  .  ?        ?  
 795   9  1  A  35  ALA  A  35  .  ?        ?  
 796   9  1  A  36  VAL  A  36  .  ?        ?  
 797   9  1  A  37  SER  A  37  .  ?        ?  
 798   9  1  A  38  ASP  A  38  .  ?        1  
 799   9  1  A  39  ALA  A  39  .  ?        1  
 800   9  1  A  40  PRO  A  40  .  ?        2  
 801   9  1  A  41  SER  A  41  .  ?        ?  
 802   9  1  A  42  GLY  A  42  .  ?        ?  
 803   9  1  A  43  GLN  A  43  .  ?        ?  
 804   9  1  A  44  LEU  A  44  .  ?        ?  
 805   9  1  A  45  ILE  A  45  .  ?        ?  
 806   9  1  A  46  VAL  A  46  .  ?        ?  
 807   9  1  A  47  VAL  A  47  .  ?        ?  
 808   9  1  A  48  VAL  A  48  .  ?        ?  
 809   9  1  A  49  GLU  A  49  .  ?        ?  
 810   9  1  A  50  ALA  A  50  .  ?        ?  
 811   9  1  A  51  GLU  A  51  .  ?        ?  
 812   9  1  A  52  ASP  A  52  .  ?        ?  
 813   9  1  A  53  SER  A  53  .  ?        ?  
 814   9  1  A  54  GLU  A  54  .  ?        ?  
 815   9  1  A  55  THR  A  55  .  ?        ?  
 816   9  1  A  56  LEU  A  56  .  ?        ?  
 817   9  1  A  57  ILE  A  57  .  ?        ?  
 818   9  1  A  58  GLN  A  58  .  ?        ?  
 819   9  1  A  59  THR  A  59  .  ?        ?  
 820   9  1  A  60  ILE  A  60  .  ?        ?  
 821   9  1  A  61  GLU  A  61  .  ?        ?  
 822   9  1  A  62  SER  A  62  .  ?        ?  
 823   9  1  A  63  VAL  A  63  .  ?        ?  
 824   9  1  A  64  ARG  A  64  .  ?        ?  
 825   9  1  A  65  ASN  A  65  .  ?        ?  
 826   9  1  A  66  VAL  A  66  .  ?        ?  
 827   9  1  A  67  GLU  A  67  .  ?        ?  
 828   9  1  A  68  GLY  A  68  .  ?        ?  
 829   9  1  A  69  VAL  A  69  .  ?        ?  
 830   9  1  A  70  LEU  A  70  .  ?        ?  
 831   9  1  A  71  ALA  A  71  .  ?        ?  
 832   9  1  A  72  VAL  A  72  .  ?        ?  
 833   9  1  A  73  SER  A  73  .  ?        ?  
 834   9  1  A  74  LEU  A  74  .  ?        ?  
 835   9  1  A  75  VAL  A  75  .  ?        ?  
 836   9  1  A  76  TYR  A  76  .  ?        ?  
 837   9  1  A  77  HIS  A  77  .  ?        ?  
 838   9  1  A  78  GLN  A  78  .  ?        2  
 839   9  1  A  79  GLN  A  79  .  ?        ?  
 840   9  1  A  80  GLU  A  80  .  ?        ?  
 841   9  1  A  81  GLU  A  81  .  ?        ?  
 842   9  1  A  82  GLN  A  82  .  ?        ?  
 843   9  1  A  83  GLY  A  83  .  ?        ?  
 844   9  1  A  84  GLU  A  84  .  ?        ?  
 845   9  1  A  85  GLU  A  85  .  ?        ?  
 846   9  1  A  86  THR  A  86  .  ?        ?  
 847   9  1  A  87  PRO  A  87  .  ?        ?  
 848   9  1  A  88  ARG  A  88  .  ?        ?  
 849   9  1  A  89  SER  A  89  .  ?        ?  
 850   9  1  A  90  HIS  A  90  .  ?        ?  
 851   9  1  A  91  HIS  A  91  .  ?        ?  
 852   9  1  A  92  HIS  A  92  .  ?        ?  
 853   9  1  A  93  HIS  A  93  .  ?        ?  
 854   9  1  A  94  HIS  A  94  .  ?        ?  
 855   9  1  A  95  HIS  A  95  .  ?        ?  
 856  10  1  A   1  MET  A   1  .  ?        ?  
 857  10  1  A   2  HIS  A   2  .  ?        ?  
 858  10  1  A   3  THR  A   3  .  ?        ?  
 859  10  1  A   4  ASN  A   4  .  ?        ?  
 860  10  1  A   5  TRP  A   5  .  ?        ?  
 861  10  1  A   6  GLN  A   6  .  ?        ?  
 862  10  1  A   7  VAL  A   7  .  ?        ?  
 863  10  1  A   8  CYS  A   8  .  ?        ?  
 864  10  1  A   9  SER  A   9  .  ?        1  
 865  10  1  A  10  LEU  A  10  .  ?        ?  
 866  10  1  A  11  VAL  A  11  .  ?        ?  
 867  10  1  A  12  VAL  A  12  .  ?        ?  
 868  10  1  A  13  GLN  A  13  .  ?        ?  
 869  10  1  A  14  ALA  A  14  .  ?        ?  
 870  10  1  A  15  LYS  A  15  .  ?        ?  
 871  10  1  A  16  SER  A  16  .  ?        ?  
 872  10  1  A  17  GLU  A  17  .  ?        ?  
 873  10  1  A  18  ARG  A  18  .  ?        ?  
 874  10  1  A  19  ILE  A  19  .  ?        ?  
 875  10  1  A  20  SER  A  20  .  ?        ?  
 876  10  1  A  21  ASP  A  21  .  ?        ?  
 877  10  1  A  22  ILE  A  22  .  ?        ?  
 878  10  1  A  23  SER  A  23  .  ?        ?  
 879  10  1  A  24  THR  A  24  .  ?        ?  
 880  10  1  A  25  GLN  A  25  .  ?        ?  
 881  10  1  A  26  LEU  A  26  .  ?        ?  
 882  10  1  A  27  ASN  A  27  .  ?        ?  
 883  10  1  A  28  ALA  A  28  .  ?        ?  
 884  10  1  A  29  PHE  A  29  .  ?        ?  
 885  10  1  A  30  PRO  A  30  .  ?        ?  
 886  10  1  A  31  GLY  A  31  .  ?        1  
 887  10  1  A  32  CYS  A  32  .  ?        ?  
 888  10  1  A  33  GLU  A  33  .  ?        ?  
 889  10  1  A  34  VAL  A  34  .  ?        ?  
 890  10  1  A  35  ALA  A  35  .  ?        ?  
 891  10  1  A  36  VAL  A  36  .  ?        ?  
 892  10  1  A  37  SER  A  37  .  ?        ?  
 893  10  1  A  38  ASP  A  38  .  ?        1  
 894  10  1  A  39  ALA  A  39  .  ?        1  
 895  10  1  A  40  PRO  A  40  .  ?        2  
 896  10  1  A  41  SER  A  41  .  ?        ?  
 897  10  1  A  42  GLY  A  42  .  ?        ?  
 898  10  1  A  43  GLN  A  43  .  ?        ?  
 899  10  1  A  44  LEU  A  44  .  ?        ?  
 900  10  1  A  45  ILE  A  45  .  ?        ?  
 901  10  1  A  46  VAL  A  46  .  ?        ?  
 902  10  1  A  47  VAL  A  47  .  ?        ?  
 903  10  1  A  48  VAL  A  48  .  ?        1  
 904  10  1  A  49  GLU  A  49  .  ?        ?  
 905  10  1  A  50  ALA  A  50  .  ?        ?  
 906  10  1  A  51  GLU  A  51  .  ?        ?  
 907  10  1  A  52  ASP  A  52  .  ?        ?  
 908  10  1  A  53  SER  A  53  .  ?        ?  
 909  10  1  A  54  GLU  A  54  .  ?        ?  
 910  10  1  A  55  THR  A  55  .  ?        ?  
 911  10  1  A  56  LEU  A  56  .  ?        ?  
 912  10  1  A  57  ILE  A  57  .  ?        1  
 913  10  1  A  58  GLN  A  58  .  ?        ?  
 914  10  1  A  59  THR  A  59  .  ?        ?  
 915  10  1  A  60  ILE  A  60  .  ?        ?  
 916  10  1  A  61  GLU  A  61  .  ?        1  
 917  10  1  A  62  SER  A  62  .  ?        ?  
 918  10  1  A  63  VAL  A  63  .  ?        ?  
 919  10  1  A  64  ARG  A  64  .  ?        ?  
 920  10  1  A  65  ASN  A  65  .  ?        ?  
 921  10  1  A  66  VAL  A  66  .  ?        ?  
 922  10  1  A  67  GLU  A  67  .  ?        ?  
 923  10  1  A  68  GLY  A  68  .  ?        ?  
 924  10  1  A  69  VAL  A  69  .  ?        ?  
 925  10  1  A  70  LEU  A  70  .  ?        ?  
 926  10  1  A  71  ALA  A  71  .  ?        ?  
 927  10  1  A  72  VAL  A  72  .  ?        ?  
 928  10  1  A  73  SER  A  73  .  ?        ?  
 929  10  1  A  74  LEU  A  74  .  ?        ?  
 930  10  1  A  75  VAL  A  75  .  ?        1  
 931  10  1  A  76  TYR  A  76  .  ?        ?  
 932  10  1  A  77  HIS  A  77  .  ?        ?  
 933  10  1  A  78  GLN  A  78  .  ?        ?  
 934  10  1  A  79  GLN  A  79  .  ?        ?  
 935  10  1  A  80  GLU  A  80  .  ?        ?  
 936  10  1  A  81  GLU  A  81  .  ?        ?  
 937  10  1  A  82  GLN  A  82  .  ?        ?  
 938  10  1  A  83  GLY  A  83  .  ?        ?  
 939  10  1  A  84  GLU  A  84  .  ?        ?  
 940  10  1  A  85  GLU  A  85  .  ?        ?  
 941  10  1  A  86  THR  A  86  .  ?        ?  
 942  10  1  A  87  PRO  A  87  .  ?        ?  
 943  10  1  A  88  ARG  A  88  .  ?        ?  
 944  10  1  A  89  SER  A  89  .  ?        ?  
 945  10  1  A  90  HIS  A  90  .  ?        ?  
 946  10  1  A  91  HIS  A  91  .  ?        ?  
 947  10  1  A  92  HIS  A  92  .  ?        ?  
 948  10  1  A  93  HIS  A  93  .  ?        ?  
 949  10  1  A  94  HIS  A  94  .  ?        ?  
 950  10  1  A  95  HIS  A  95  .  ?        ?  
 951  11  1  A   1  MET  A   1  .  ?        ?  
 952  11  1  A   2  HIS  A   2  .  ?        ?  
 953  11  1  A   3  THR  A   3  .  ?        ?  
 954  11  1  A   4  ASN  A   4  .  ?        ?  
 955  11  1  A   5  TRP  A   5  .  ?        ?  
 956  11  1  A   6  GLN  A   6  .  ?        ?  
 957  11  1  A   7  VAL  A   7  .  ?        1  
 958  11  1  A   8  CYS  A   8  .  ?        1  
 959  11  1  A   9  SER  A   9  .  ?        ?  
 960  11  1  A  10  LEU  A  10  .  ?        ?  
 961  11  1  A  11  VAL  A  11  .  ?        ?  
 962  11  1  A  12  VAL  A  12  .  ?        ?  
 963  11  1  A  13  GLN  A  13  .  ?        ?  
 964  11  1  A  14  ALA  A  14  .  ?        ?  
 965  11  1  A  15  LYS  A  15  .  ?        ?  
 966  11  1  A  16  SER  A  16  .  ?        ?  
 967  11  1  A  17  GLU  A  17  .  ?        ?  
 968  11  1  A  18  ARG  A  18  .  ?        ?  
 969  11  1  A  19  ILE  A  19  .  ?        ?  
 970  11  1  A  20  SER  A  20  .  ?        ?  
 971  11  1  A  21  ASP  A  21  .  ?        ?  
 972  11  1  A  22  ILE  A  22  .  ?        ?  
 973  11  1  A  23  SER  A  23  .  ?        ?  
 974  11  1  A  24  THR  A  24  .  ?        ?  
 975  11  1  A  25  GLN  A  25  .  ?        ?  
 976  11  1  A  26  LEU  A  26  .  ?        ?  
 977  11  1  A  27  ASN  A  27  .  ?        ?  
 978  11  1  A  28  ALA  A  28  .  ?        ?  
 979  11  1  A  29  PHE  A  29  .  ?        ?  
 980  11  1  A  30  PRO  A  30  .  ?        ?  
 981  11  1  A  31  GLY  A  31  .  ?        ?  
 982  11  1  A  32  CYS  A  32  .  ?        ?  
 983  11  1  A  33  GLU  A  33  .  ?        ?  
 984  11  1  A  34  VAL  A  34  .  ?        ?  
 985  11  1  A  35  ALA  A  35  .  ?        ?  
 986  11  1  A  36  VAL  A  36  .  ?        ?  
 987  11  1  A  37  SER  A  37  .  ?        ?  
 988  11  1  A  38  ASP  A  38  .  ?        1  
 989  11  1  A  39  ALA  A  39  .  ?        1  
 990  11  1  A  40  PRO  A  40  .  ?        2  
 991  11  1  A  41  SER  A  41  .  ?        ?  
 992  11  1  A  42  GLY  A  42  .  ?        ?  
 993  11  1  A  43  GLN  A  43  .  ?        ?  
 994  11  1  A  44  LEU  A  44  .  ?        ?  
 995  11  1  A  45  ILE  A  45  .  ?        ?  
 996  11  1  A  46  VAL  A  46  .  ?        ?  
 997  11  1  A  47  VAL  A  47  .  ?        ?  
 998  11  1  A  48  VAL  A  48  .  ?        1  
 999  11  1  A  49  GLU  A  49  .  ?        ?  
1000  11  1  A  50  ALA  A  50  .  ?        ?  
1001  11  1  A  51  GLU  A  51  .  ?        ?  
1002  11  1  A  52  ASP  A  52  .  ?        ?  
1003  11  1  A  53  SER  A  53  .  ?        ?  
1004  11  1  A  54  GLU  A  54  .  ?        ?  
1005  11  1  A  55  THR  A  55  .  ?        ?  
1006  11  1  A  56  LEU  A  56  .  ?        1  
1007  11  1  A  57  ILE  A  57  .  ?        ?  
1008  11  1  A  58  GLN  A  58  .  ?        ?  
1009  11  1  A  59  THR  A  59  .  ?        ?  
1010  11  1  A  60  ILE  A  60  .  ?        ?  
1011  11  1  A  61  GLU  A  61  .  ?        ?  
1012  11  1  A  62  SER  A  62  .  ?        ?  
1013  11  1  A  63  VAL  A  63  .  ?        ?  
1014  11  1  A  64  ARG  A  64  .  ?        ?  
1015  11  1  A  65  ASN  A  65  .  ?        ?  
1016  11  1  A  66  VAL  A  66  .  ?        ?  
1017  11  1  A  67  GLU  A  67  .  ?        ?  
1018  11  1  A  68  GLY  A  68  .  ?        ?  
1019  11  1  A  69  VAL  A  69  .  ?        ?  
1020  11  1  A  70  LEU  A  70  .  ?        ?  
1021  11  1  A  71  ALA  A  71  .  ?        ?  
1022  11  1  A  72  VAL  A  72  .  ?        ?  
1023  11  1  A  73  SER  A  73  .  ?        ?  
1024  11  1  A  74  LEU  A  74  .  ?        ?  
1025  11  1  A  75  VAL  A  75  .  ?        ?  
1026  11  1  A  76  TYR  A  76  .  ?        ?  
1027  11  1  A  77  HIS  A  77  .  ?        ?  
1028  11  1  A  78  GLN  A  78  .  ?        ?  
1029  11  1  A  79  GLN  A  79  .  ?        ?  
1030  11  1  A  80  GLU  A  80  .  ?        ?  
1031  11  1  A  81  GLU  A  81  .  ?        ?  
1032  11  1  A  82  GLN  A  82  .  ?        ?  
1033  11  1  A  83  GLY  A  83  .  ?        ?  
1034  11  1  A  84  GLU  A  84  .  ?        ?  
1035  11  1  A  85  GLU  A  85  .  ?        ?  
1036  11  1  A  86  THR  A  86  .  ?        ?  
1037  11  1  A  87  PRO  A  87  .  ?        ?  
1038  11  1  A  88  ARG  A  88  .  ?        ?  
1039  11  1  A  89  SER  A  89  .  ?        ?  
1040  11  1  A  90  HIS  A  90  .  ?        ?  
1041  11  1  A  91  HIS  A  91  .  ?        ?  
1042  11  1  A  92  HIS  A  92  .  ?        ?  
1043  11  1  A  93  HIS  A  93  .  ?        ?  
1044  11  1  A  94  HIS  A  94  .  ?        ?  
1045  11  1  A  95  HIS  A  95  .  ?        ?  
1046  12  1  A   1  MET  A   1  .  ?        ?  
1047  12  1  A   2  HIS  A   2  .  ?        1  
1048  12  1  A   3  THR  A   3  .  ?        ?  
1049  12  1  A   4  ASN  A   4  .  ?        ?  
1050  12  1  A   5  TRP  A   5  .  ?        ?  
1051  12  1  A   6  GLN  A   6  .  ?        ?  
1052  12  1  A   7  VAL  A   7  .  ?        ?  
1053  12  1  A   8  CYS  A   8  .  ?        1  
1054  12  1  A   9  SER  A   9  .  ?        ?  
1055  12  1  A  10  LEU  A  10  .  ?        ?  
1056  12  1  A  11  VAL  A  11  .  ?        ?  
1057  12  1  A  12  VAL  A  12  .  ?        ?  
1058  12  1  A  13  GLN  A  13  .  ?        ?  
1059  12  1  A  14  ALA  A  14  .  ?        ?  
1060  12  1  A  15  LYS  A  15  .  ?        ?  
1061  12  1  A  16  SER  A  16  .  ?        ?  
1062  12  1  A  17  GLU  A  17  .  ?        ?  
1063  12  1  A  18  ARG  A  18  .  ?        ?  
1064  12  1  A  19  ILE  A  19  .  ?        ?  
1065  12  1  A  20  SER  A  20  .  ?        ?  
1066  12  1  A  21  ASP  A  21  .  ?        ?  
1067  12  1  A  22  ILE  A  22  .  ?        1  
1068  12  1  A  23  SER  A  23  .  ?        ?  
1069  12  1  A  24  THR  A  24  .  ?        ?  
1070  12  1  A  25  GLN  A  25  .  ?        ?  
1071  12  1  A  26  LEU  A  26  .  ?        1  
1072  12  1  A  27  ASN  A  27  .  ?        ?  
1073  12  1  A  28  ALA  A  28  .  ?        ?  
1074  12  1  A  29  PHE  A  29  .  ?        ?  
1075  12  1  A  30  PRO  A  30  .  ?        ?  
1076  12  1  A  31  GLY  A  31  .  ?        ?  
1077  12  1  A  32  CYS  A  32  .  ?        ?  
1078  12  1  A  33  GLU  A  33  .  ?        ?  
1079  12  1  A  34  VAL  A  34  .  ?        ?  
1080  12  1  A  35  ALA  A  35  .  ?        ?  
1081  12  1  A  36  VAL  A  36  .  ?        ?  
1082  12  1  A  37  SER  A  37  .  ?        ?  
1083  12  1  A  38  ASP  A  38  .  ?        1  
1084  12  1  A  39  ALA  A  39  .  ?        1  
1085  12  1  A  40  PRO  A  40  .  ?        2  
1086  12  1  A  41  SER  A  41  .  ?        ?  
1087  12  1  A  42  GLY  A  42  .  ?        ?  
1088  12  1  A  43  GLN  A  43  .  ?        ?  
1089  12  1  A  44  LEU  A  44  .  ?        ?  
1090  12  1  A  45  ILE  A  45  .  ?        ?  
1091  12  1  A  46  VAL  A  46  .  ?        ?  
1092  12  1  A  47  VAL  A  47  .  ?        ?  
1093  12  1  A  48  VAL  A  48  .  ?        1  
1094  12  1  A  49  GLU  A  49  .  ?        ?  
1095  12  1  A  50  ALA  A  50  .  ?        ?  
1096  12  1  A  51  GLU  A  51  .  ?        1  
1097  12  1  A  52  ASP  A  52  .  ?        ?  
1098  12  1  A  53  SER  A  53  .  ?        ?  
1099  12  1  A  54  GLU  A  54  .  ?        ?  
1100  12  1  A  55  THR  A  55  .  ?        ?  
1101  12  1  A  56  LEU  A  56  .  ?        ?  
1102  12  1  A  57  ILE  A  57  .  ?        ?  
1103  12  1  A  58  GLN  A  58  .  ?        ?  
1104  12  1  A  59  THR  A  59  .  ?        ?  
1105  12  1  A  60  ILE  A  60  .  ?        ?  
1106  12  1  A  61  GLU  A  61  .  ?        ?  
1107  12  1  A  62  SER  A  62  .  ?        ?  
1108  12  1  A  63  VAL  A  63  .  ?        ?  
1109  12  1  A  64  ARG  A  64  .  ?        ?  
1110  12  1  A  65  ASN  A  65  .  ?        ?  
1111  12  1  A  66  VAL  A  66  .  ?        ?  
1112  12  1  A  67  GLU  A  67  .  ?        ?  
1113  12  1  A  68  GLY  A  68  .  ?        ?  
1114  12  1  A  69  VAL  A  69  .  ?        ?  
1115  12  1  A  70  LEU  A  70  .  ?        ?  
1116  12  1  A  71  ALA  A  71  .  ?        ?  
1117  12  1  A  72  VAL  A  72  .  ?        ?  
1118  12  1  A  73  SER  A  73  .  ?        ?  
1119  12  1  A  74  LEU  A  74  .  ?        ?  
1120  12  1  A  75  VAL  A  75  .  ?        ?  
1121  12  1  A  76  TYR  A  76  .  ?        ?  
1122  12  1  A  77  HIS  A  77  .  ?        ?  
1123  12  1  A  78  GLN  A  78  .  ?        ?  
1124  12  1  A  79  GLN  A  79  .  ?        ?  
1125  12  1  A  80  GLU  A  80  .  ?        ?  
1126  12  1  A  81  GLU  A  81  .  ?        ?  
1127  12  1  A  82  GLN  A  82  .  ?        ?  
1128  12  1  A  83  GLY  A  83  .  ?        ?  
1129  12  1  A  84  GLU  A  84  .  ?        ?  
1130  12  1  A  85  GLU  A  85  .  ?        ?  
1131  12  1  A  86  THR  A  86  .  ?        ?  
1132  12  1  A  87  PRO  A  87  .  ?        ?  
1133  12  1  A  88  ARG  A  88  .  ?        ?  
1134  12  1  A  89  SER  A  89  .  ?        ?  
1135  12  1  A  90  HIS  A  90  .  ?        ?  
1136  12  1  A  91  HIS  A  91  .  ?        ?  
1137  12  1  A  92  HIS  A  92  .  ?        ?  
1138  12  1  A  93  HIS  A  93  .  ?        ?  
1139  12  1  A  94  HIS  A  94  .  ?        ?  
1140  12  1  A  95  HIS  A  95  .  ?        ?  
1141  13  1  A   1  MET  A   1  .  ?        ?  
1142  13  1  A   2  HIS  A   2  .  ?        ?  
1143  13  1  A   3  THR  A   3  .  ?        ?  
1144  13  1  A   4  ASN  A   4  .  ?        ?  
1145  13  1  A   5  TRP  A   5  .  ?        ?  
1146  13  1  A   6  GLN  A   6  .  ?        ?  
1147  13  1  A   7  VAL  A   7  .  ?        ?  
1148  13  1  A   8  CYS  A   8  .  ?        ?  
1149  13  1  A   9  SER  A   9  .  ?        ?  
1150  13  1  A  10  LEU  A  10  .  ?        ?  
1151  13  1  A  11  VAL  A  11  .  ?        ?  
1152  13  1  A  12  VAL  A  12  .  ?        ?  
1153  13  1  A  13  GLN  A  13  .  ?        ?  
1154  13  1  A  14  ALA  A  14  .  ?        ?  
1155  13  1  A  15  LYS  A  15  .  ?        ?  
1156  13  1  A  16  SER  A  16  .  ?        ?  
1157  13  1  A  17  GLU  A  17  .  ?        ?  
1158  13  1  A  18  ARG  A  18  .  ?        ?  
1159  13  1  A  19  ILE  A  19  .  ?        ?  
1160  13  1  A  20  SER  A  20  .  ?        ?  
1161  13  1  A  21  ASP  A  21  .  ?        ?  
1162  13  1  A  22  ILE  A  22  .  ?        1  
1163  13  1  A  23  SER  A  23  .  ?        ?  
1164  13  1  A  24  THR  A  24  .  ?        ?  
1165  13  1  A  25  GLN  A  25  .  ?        ?  
1166  13  1  A  26  LEU  A  26  .  ?        1  
1167  13  1  A  27  ASN  A  27  .  ?        ?  
1168  13  1  A  28  ALA  A  28  .  ?        ?  
1169  13  1  A  29  PHE  A  29  .  ?        ?  
1170  13  1  A  30  PRO  A  30  .  ?        ?  
1171  13  1  A  31  GLY  A  31  .  ?        ?  
1172  13  1  A  32  CYS  A  32  .  ?        ?  
1173  13  1  A  33  GLU  A  33  .  ?        ?  
1174  13  1  A  34  VAL  A  34  .  ?        ?  
1175  13  1  A  35  ALA  A  35  .  ?        ?  
1176  13  1  A  36  VAL  A  36  .  ?        ?  
1177  13  1  A  37  SER  A  37  .  ?        ?  
1178  13  1  A  38  ASP  A  38  .  ?        ?  
1179  13  1  A  39  ALA  A  39  .  ?        1  
1180  13  1  A  40  PRO  A  40  .  ?        1  
1181  13  1  A  41  SER  A  41  .  ?        ?  
1182  13  1  A  42  GLY  A  42  .  ?        ?  
1183  13  1  A  43  GLN  A  43  .  ?        ?  
1184  13  1  A  44  LEU  A  44  .  ?        ?  
1185  13  1  A  45  ILE  A  45  .  ?        ?  
1186  13  1  A  46  VAL  A  46  .  ?        ?  
1187  13  1  A  47  VAL  A  47  .  ?        ?  
1188  13  1  A  48  VAL  A  48  .  ?        ?  
1189  13  1  A  49  GLU  A  49  .  ?        ?  
1190  13  1  A  50  ALA  A  50  .  ?        ?  
1191  13  1  A  51  GLU  A  51  .  ?        ?  
1192  13  1  A  52  ASP  A  52  .  ?        ?  
1193  13  1  A  53  SER  A  53  .  ?        ?  
1194  13  1  A  54  GLU  A  54  .  ?        ?  
1195  13  1  A  55  THR  A  55  .  ?        ?  
1196  13  1  A  56  LEU  A  56  .  ?        ?  
1197  13  1  A  57  ILE  A  57  .  ?        ?  
1198  13  1  A  58  GLN  A  58  .  ?        ?  
1199  13  1  A  59  THR  A  59  .  ?        ?  
1200  13  1  A  60  ILE  A  60  .  ?        ?  
1201  13  1  A  61  GLU  A  61  .  ?        ?  
1202  13  1  A  62  SER  A  62  .  ?        ?  
1203  13  1  A  63  VAL  A  63  .  ?        ?  
1204  13  1  A  64  ARG  A  64  .  ?        ?  
1205  13  1  A  65  ASN  A  65  .  ?        ?  
1206  13  1  A  66  VAL  A  66  .  ?        ?  
1207  13  1  A  67  GLU  A  67  .  ?        ?  
1208  13  1  A  68  GLY  A  68  .  ?        ?  
1209  13  1  A  69  VAL  A  69  .  ?        ?  
1210  13  1  A  70  LEU  A  70  .  ?        ?  
1211  13  1  A  71  ALA  A  71  .  ?        ?  
1212  13  1  A  72  VAL  A  72  .  ?        ?  
1213  13  1  A  73  SER  A  73  .  ?        ?  
1214  13  1  A  74  LEU  A  74  .  ?        ?  
1215  13  1  A  75  VAL  A  75  .  ?        ?  
1216  13  1  A  76  TYR  A  76  .  ?        ?  
1217  13  1  A  77  HIS  A  77  .  ?        ?  
1218  13  1  A  78  GLN  A  78  .  ?        ?  
1219  13  1  A  79  GLN  A  79  .  ?        ?  
1220  13  1  A  80  GLU  A  80  .  ?        ?  
1221  13  1  A  81  GLU  A  81  .  ?        ?  
1222  13  1  A  82  GLN  A  82  .  ?        ?  
1223  13  1  A  83  GLY  A  83  .  ?        ?  
1224  13  1  A  84  GLU  A  84  .  ?        ?  
1225  13  1  A  85  GLU  A  85  .  ?        ?  
1226  13  1  A  86  THR  A  86  .  ?        ?  
1227  13  1  A  87  PRO  A  87  .  ?        ?  
1228  13  1  A  88  ARG  A  88  .  ?        ?  
1229  13  1  A  89  SER  A  89  .  ?        ?  
1230  13  1  A  90  HIS  A  90  .  ?        ?  
1231  13  1  A  91  HIS  A  91  .  ?        ?  
1232  13  1  A  92  HIS  A  92  .  ?        ?  
1233  13  1  A  93  HIS  A  93  .  ?        ?  
1234  13  1  A  94  HIS  A  94  .  ?        ?  
1235  13  1  A  95  HIS  A  95  .  ?        ?  
1236  14  1  A   1  MET  A   1  .  ?        ?  
1237  14  1  A   2  HIS  A   2  .  ?        ?  
1238  14  1  A   3  THR  A   3  .  ?        ?  
1239  14  1  A   4  ASN  A   4  .  ?        ?  
1240  14  1  A   5  TRP  A   5  .  ?        ?  
1241  14  1  A   6  GLN  A   6  .  ?        ?  
1242  14  1  A   7  VAL  A   7  .  ?        ?  
1243  14  1  A   8  CYS  A   8  .  ?        1  
1244  14  1  A   9  SER  A   9  .  ?        ?  
1245  14  1  A  10  LEU  A  10  .  ?        ?  
1246  14  1  A  11  VAL  A  11  .  ?        ?  
1247  14  1  A  12  VAL  A  12  .  ?        ?  
1248  14  1  A  13  GLN  A  13  .  ?        ?  
1249  14  1  A  14  ALA  A  14  .  ?        ?  
1250  14  1  A  15  LYS  A  15  .  ?        ?  
1251  14  1  A  16  SER  A  16  .  ?        ?  
1252  14  1  A  17  GLU  A  17  .  ?        ?  
1253  14  1  A  18  ARG  A  18  .  ?        ?  
1254  14  1  A  19  ILE  A  19  .  ?        ?  
1255  14  1  A  20  SER  A  20  .  ?        ?  
1256  14  1  A  21  ASP  A  21  .  ?        ?  
1257  14  1  A  22  ILE  A  22  .  ?        1  
1258  14  1  A  23  SER  A  23  .  ?        ?  
1259  14  1  A  24  THR  A  24  .  ?        ?  
1260  14  1  A  25  GLN  A  25  .  ?        ?  
1261  14  1  A  26  LEU  A  26  .  ?        1  
1262  14  1  A  27  ASN  A  27  .  ?        ?  
1263  14  1  A  28  ALA  A  28  .  ?        ?  
1264  14  1  A  29  PHE  A  29  .  ?        1  
1265  14  1  A  30  PRO  A  30  .  ?        ?  
1266  14  1  A  31  GLY  A  31  .  ?        ?  
1267  14  1  A  32  CYS  A  32  .  ?        1  
1268  14  1  A  33  GLU  A  33  .  ?        ?  
1269  14  1  A  34  VAL  A  34  .  ?        ?  
1270  14  1  A  35  ALA  A  35  .  ?        ?  
1271  14  1  A  36  VAL  A  36  .  ?        ?  
1272  14  1  A  37  SER  A  37  .  ?        ?  
1273  14  1  A  38  ASP  A  38  .  ?        ?  
1274  14  1  A  39  ALA  A  39  .  ?        1  
1275  14  1  A  40  PRO  A  40  .  ?        1  
1276  14  1  A  41  SER  A  41  .  ?        ?  
1277  14  1  A  42  GLY  A  42  .  ?        ?  
1278  14  1  A  43  GLN  A  43  .  ?        ?  
1279  14  1  A  44  LEU  A  44  .  ?        ?  
1280  14  1  A  45  ILE  A  45  .  ?        ?  
1281  14  1  A  46  VAL  A  46  .  ?        ?  
1282  14  1  A  47  VAL  A  47  .  ?        ?  
1283  14  1  A  48  VAL  A  48  .  ?        ?  
1284  14  1  A  49  GLU  A  49  .  ?        ?  
1285  14  1  A  50  ALA  A  50  .  ?        ?  
1286  14  1  A  51  GLU  A  51  .  ?        ?  
1287  14  1  A  52  ASP  A  52  .  ?        ?  
1288  14  1  A  53  SER  A  53  .  ?        ?  
1289  14  1  A  54  GLU  A  54  .  ?        ?  
1290  14  1  A  55  THR  A  55  .  ?        ?  
1291  14  1  A  56  LEU  A  56  .  ?        1  
1292  14  1  A  57  ILE  A  57  .  ?        ?  
1293  14  1  A  58  GLN  A  58  .  ?        ?  
1294  14  1  A  59  THR  A  59  .  ?        ?  
1295  14  1  A  60  ILE  A  60  .  ?        ?  
1296  14  1  A  61  GLU  A  61  .  ?        ?  
1297  14  1  A  62  SER  A  62  .  ?        ?  
1298  14  1  A  63  VAL  A  63  .  ?        ?  
1299  14  1  A  64  ARG  A  64  .  ?        ?  
1300  14  1  A  65  ASN  A  65  .  ?        ?  
1301  14  1  A  66  VAL  A  66  .  ?        ?  
1302  14  1  A  67  GLU  A  67  .  ?        ?  
1303  14  1  A  68  GLY  A  68  .  ?        ?  
1304  14  1  A  69  VAL  A  69  .  ?        ?  
1305  14  1  A  70  LEU  A  70  .  ?        ?  
1306  14  1  A  71  ALA  A  71  .  ?        ?  
1307  14  1  A  72  VAL  A  72  .  ?        ?  
1308  14  1  A  73  SER  A  73  .  ?        ?  
1309  14  1  A  74  LEU  A  74  .  ?        ?  
1310  14  1  A  75  VAL  A  75  .  ?        ?  
1311  14  1  A  76  TYR  A  76  .  ?        ?  
1312  14  1  A  77  HIS  A  77  .  ?        ?  
1313  14  1  A  78  GLN  A  78  .  ?        ?  
1314  14  1  A  79  GLN  A  79  .  ?        ?  
1315  14  1  A  80  GLU  A  80  .  ?        ?  
1316  14  1  A  81  GLU  A  81  .  ?        ?  
1317  14  1  A  82  GLN  A  82  .  ?        ?  
1318  14  1  A  83  GLY  A  83  .  ?        ?  
1319  14  1  A  84  GLU  A  84  .  ?        ?  
1320  14  1  A  85  GLU  A  85  .  ?        ?  
1321  14  1  A  86  THR  A  86  .  ?        ?  
1322  14  1  A  87  PRO  A  87  .  ?        ?  
1323  14  1  A  88  ARG  A  88  .  ?        ?  
1324  14  1  A  89  SER  A  89  .  ?        ?  
1325  14  1  A  90  HIS  A  90  .  ?        ?  
1326  14  1  A  91  HIS  A  91  .  ?        ?  
1327  14  1  A  92  HIS  A  92  .  ?        ?  
1328  14  1  A  93  HIS  A  93  .  ?        ?  
1329  14  1  A  94  HIS  A  94  .  ?        ?  
1330  14  1  A  95  HIS  A  95  .  ?        ?  
1331  15  1  A   1  MET  A   1  .  ?        ?  
1332  15  1  A   2  HIS  A   2  .  ?        ?  
1333  15  1  A   3  THR  A   3  .  ?        ?  
1334  15  1  A   4  ASN  A   4  .  ?        ?  
1335  15  1  A   5  TRP  A   5  .  ?        ?  
1336  15  1  A   6  GLN  A   6  .  ?        ?  
1337  15  1  A   7  VAL  A   7  .  ?        ?  
1338  15  1  A   8  CYS  A   8  .  ?        2  
1339  15  1  A   9  SER  A   9  .  ?        ?  
1340  15  1  A  10  LEU  A  10  .  ?        ?  
1341  15  1  A  11  VAL  A  11  .  ?        ?  
1342  15  1  A  12  VAL  A  12  .  ?        ?  
1343  15  1  A  13  GLN  A  13  .  ?        ?  
1344  15  1  A  14  ALA  A  14  .  ?        1  
1345  15  1  A  15  LYS  A  15  .  ?        ?  
1346  15  1  A  16  SER  A  16  .  ?        ?  
1347  15  1  A  17  GLU  A  17  .  ?        ?  
1348  15  1  A  18  ARG  A  18  .  ?        ?  
1349  15  1  A  19  ILE  A  19  .  ?        ?  
1350  15  1  A  20  SER  A  20  .  ?        ?  
1351  15  1  A  21  ASP  A  21  .  ?        ?  
1352  15  1  A  22  ILE  A  22  .  ?        2  
1353  15  1  A  23  SER  A  23  .  ?        ?  
1354  15  1  A  24  THR  A  24  .  ?        ?  
1355  15  1  A  25  GLN  A  25  .  ?        ?  
1356  15  1  A  26  LEU  A  26  .  ?        1  
1357  15  1  A  27  ASN  A  27  .  ?        ?  
1358  15  1  A  28  ALA  A  28  .  ?        ?  
1359  15  1  A  29  PHE  A  29  .  ?        1  
1360  15  1  A  30  PRO  A  30  .  ?        ?  
1361  15  1  A  31  GLY  A  31  .  ?        1  
1362  15  1  A  32  CYS  A  32  .  ?        1  
1363  15  1  A  33  GLU  A  33  .  ?        ?  
1364  15  1  A  34  VAL  A  34  .  ?        ?  
1365  15  1  A  35  ALA  A  35  .  ?        ?  
1366  15  1  A  36  VAL  A  36  .  ?        ?  
1367  15  1  A  37  SER  A  37  .  ?        ?  
1368  15  1  A  38  ASP  A  38  .  ?        ?  
1369  15  1  A  39  ALA  A  39  .  ?        1  
1370  15  1  A  40  PRO  A  40  .  ?        1  
1371  15  1  A  41  SER  A  41  .  ?        ?  
1372  15  1  A  42  GLY  A  42  .  ?        ?  
1373  15  1  A  43  GLN  A  43  .  ?        ?  
1374  15  1  A  44  LEU  A  44  .  ?        ?  
1375  15  1  A  45  ILE  A  45  .  ?        ?  
1376  15  1  A  46  VAL  A  46  .  ?        ?  
1377  15  1  A  47  VAL  A  47  .  ?        ?  
1378  15  1  A  48  VAL  A  48  .  ?        2  
1379  15  1  A  49  GLU  A  49  .  ?        ?  
1380  15  1  A  50  ALA  A  50  .  ?        ?  
1381  15  1  A  51  GLU  A  51  .  ?        ?  
1382  15  1  A  52  ASP  A  52  .  ?        ?  
1383  15  1  A  53  SER  A  53  .  ?        ?  
1384  15  1  A  54  GLU  A  54  .  ?        ?  
1385  15  1  A  55  THR  A  55  .  ?        ?  
1386  15  1  A  56  LEU  A  56  .  ?        1  
1387  15  1  A  57  ILE  A  57  .  ?        ?  
1388  15  1  A  58  GLN  A  58  .  ?        ?  
1389  15  1  A  59  THR  A  59  .  ?        ?  
1390  15  1  A  60  ILE  A  60  .  ?        ?  
1391  15  1  A  61  GLU  A  61  .  ?        ?  
1392  15  1  A  62  SER  A  62  .  ?        ?  
1393  15  1  A  63  VAL  A  63  .  ?        ?  
1394  15  1  A  64  ARG  A  64  .  ?        ?  
1395  15  1  A  65  ASN  A  65  .  ?        ?  
1396  15  1  A  66  VAL  A  66  .  ?        ?  
1397  15  1  A  67  GLU  A  67  .  ?        ?  
1398  15  1  A  68  GLY  A  68  .  ?        ?  
1399  15  1  A  69  VAL  A  69  .  ?        ?  
1400  15  1  A  70  LEU  A  70  .  ?        ?  
1401  15  1  A  71  ALA  A  71  .  ?        ?  
1402  15  1  A  72  VAL  A  72  .  ?        ?  
1403  15  1  A  73  SER  A  73  .  ?        ?  
1404  15  1  A  74  LEU  A  74  .  ?        ?  
1405  15  1  A  75  VAL  A  75  .  ?        ?  
1406  15  1  A  76  TYR  A  76  .  ?        ?  
1407  15  1  A  77  HIS  A  77  .  ?        ?  
1408  15  1  A  78  GLN  A  78  .  ?        ?  
1409  15  1  A  79  GLN  A  79  .  ?        ?  
1410  15  1  A  80  GLU  A  80  .  ?        ?  
1411  15  1  A  81  GLU  A  81  .  ?        ?  
1412  15  1  A  82  GLN  A  82  .  ?        ?  
1413  15  1  A  83  GLY  A  83  .  ?        ?  
1414  15  1  A  84  GLU  A  84  .  ?        ?  
1415  15  1  A  85  GLU  A  85  .  ?        ?  
1416  15  1  A  86  THR  A  86  .  ?        ?  
1417  15  1  A  87  PRO  A  87  .  ?        ?  
1418  15  1  A  88  ARG  A  88  .  ?        ?  
1419  15  1  A  89  SER  A  89  .  ?        ?  
1420  15  1  A  90  HIS  A  90  .  ?        ?  
1421  15  1  A  91  HIS  A  91  .  ?        ?  
1422  15  1  A  92  HIS  A  92  .  ?        ?  
1423  15  1  A  93  HIS  A  93  .  ?        ?  
1424  15  1  A  94  HIS  A  94  .  ?        ?  
1425  15  1  A  95  HIS  A  95  .  ?        ?  
1426  16  1  A   1  MET  A   1  .  ?        ?  
1427  16  1  A   2  HIS  A   2  .  ?        ?  
1428  16  1  A   3  THR  A   3  .  ?        ?  
1429  16  1  A   4  ASN  A   4  .  ?        ?  
1430  16  1  A   5  TRP  A   5  .  ?        ?  
1431  16  1  A   6  GLN  A   6  .  ?        ?  
1432  16  1  A   7  VAL  A   7  .  ?        ?  
1433  16  1  A   8  CYS  A   8  .  ?        ?  
1434  16  1  A   9  SER  A   9  .  ?        ?  
1435  16  1  A  10  LEU  A  10  .  ?        ?  
1436  16  1  A  11  VAL  A  11  .  ?        ?  
1437  16  1  A  12  VAL  A  12  .  ?        ?  
1438  16  1  A  13  GLN  A  13  .  ?        ?  
1439  16  1  A  14  ALA  A  14  .  ?        ?  
1440  16  1  A  15  LYS  A  15  .  ?        1  
1441  16  1  A  16  SER  A  16  .  ?        ?  
1442  16  1  A  17  GLU  A  17  .  ?        ?  
1443  16  1  A  18  ARG  A  18  .  ?        ?  
1444  16  1  A  19  ILE  A  19  .  ?        ?  
1445  16  1  A  20  SER  A  20  .  ?        ?  
1446  16  1  A  21  ASP  A  21  .  ?        ?  
1447  16  1  A  22  ILE  A  22  .  ?        1  
1448  16  1  A  23  SER  A  23  .  ?        ?  
1449  16  1  A  24  THR  A  24  .  ?        ?  
1450  16  1  A  25  GLN  A  25  .  ?        ?  
1451  16  1  A  26  LEU  A  26  .  ?        1  
1452  16  1  A  27  ASN  A  27  .  ?        ?  
1453  16  1  A  28  ALA  A  28  .  ?        ?  
1454  16  1  A  29  PHE  A  29  .  ?        ?  
1455  16  1  A  30  PRO  A  30  .  ?        ?  
1456  16  1  A  31  GLY  A  31  .  ?        ?  
1457  16  1  A  32  CYS  A  32  .  ?        ?  
1458  16  1  A  33  GLU  A  33  .  ?        ?  
1459  16  1  A  34  VAL  A  34  .  ?        ?  
1460  16  1  A  35  ALA  A  35  .  ?        ?  
1461  16  1  A  36  VAL  A  36  .  ?        ?  
1462  16  1  A  37  SER  A  37  .  ?        ?  
1463  16  1  A  38  ASP  A  38  .  ?        1  
1464  16  1  A  39  ALA  A  39  .  ?        1  
1465  16  1  A  40  PRO  A  40  .  ?        2  
1466  16  1  A  41  SER  A  41  .  ?        ?  
1467  16  1  A  42  GLY  A  42  .  ?        ?  
1468  16  1  A  43  GLN  A  43  .  ?        ?  
1469  16  1  A  44  LEU  A  44  .  ?        ?  
1470  16  1  A  45  ILE  A  45  .  ?        ?  
1471  16  1  A  46  VAL  A  46  .  ?        ?  
1472  16  1  A  47  VAL  A  47  .  ?        ?  
1473  16  1  A  48  VAL  A  48  .  ?        ?  
1474  16  1  A  49  GLU  A  49  .  ?        ?  
1475  16  1  A  50  ALA  A  50  .  ?        ?  
1476  16  1  A  51  GLU  A  51  .  ?        ?  
1477  16  1  A  52  ASP  A  52  .  ?        ?  
1478  16  1  A  53  SER  A  53  .  ?        ?  
1479  16  1  A  54  GLU  A  54  .  ?        ?  
1480  16  1  A  55  THR  A  55  .  ?        ?  
1481  16  1  A  56  LEU  A  56  .  ?        ?  
1482  16  1  A  57  ILE  A  57  .  ?        ?  
1483  16  1  A  58  GLN  A  58  .  ?        ?  
1484  16  1  A  59  THR  A  59  .  ?        ?  
1485  16  1  A  60  ILE  A  60  .  ?        ?  
1486  16  1  A  61  GLU  A  61  .  ?        ?  
1487  16  1  A  62  SER  A  62  .  ?        ?  
1488  16  1  A  63  VAL  A  63  .  ?        ?  
1489  16  1  A  64  ARG  A  64  .  ?        ?  
1490  16  1  A  65  ASN  A  65  .  ?        ?  
1491  16  1  A  66  VAL  A  66  .  ?        ?  
1492  16  1  A  67  GLU  A  67  .  ?        ?  
1493  16  1  A  68  GLY  A  68  .  ?        1  
1494  16  1  A  69  VAL  A  69  .  ?        ?  
1495  16  1  A  70  LEU  A  70  .  ?        ?  
1496  16  1  A  71  ALA  A  71  .  ?        ?  
1497  16  1  A  72  VAL  A  72  .  ?        ?  
1498  16  1  A  73  SER  A  73  .  ?        ?  
1499  16  1  A  74  LEU  A  74  .  ?        ?  
1500  16  1  A  75  VAL  A  75  .  ?        ?  
1501  16  1  A  76  TYR  A  76  .  ?        ?  
1502  16  1  A  77  HIS  A  77  .  ?        ?  
1503  16  1  A  78  GLN  A  78  .  ?        ?  
1504  16  1  A  79  GLN  A  79  .  ?        ?  
1505  16  1  A  80  GLU  A  80  .  ?        ?  
1506  16  1  A  81  GLU  A  81  .  ?        ?  
1507  16  1  A  82  GLN  A  82  .  ?        ?  
1508  16  1  A  83  GLY  A  83  .  ?        ?  
1509  16  1  A  84  GLU  A  84  .  ?        ?  
1510  16  1  A  85  GLU  A  85  .  ?        1  
1511  16  1  A  86  THR  A  86  .  ?        ?  
1512  16  1  A  87  PRO  A  87  .  ?        1  
1513  16  1  A  88  ARG  A  88  .  ?        ?  
1514  16  1  A  89  SER  A  89  .  ?        ?  
1515  16  1  A  90  HIS  A  90  .  ?        ?  
1516  16  1  A  91  HIS  A  91  .  ?        ?  
1517  16  1  A  92  HIS  A  92  .  ?        ?  
1518  16  1  A  93  HIS  A  93  .  ?        ?  
1519  16  1  A  94  HIS  A  94  .  ?        ?  
1520  16  1  A  95  HIS  A  95  .  ?        ?  
1521  17  1  A   1  MET  A   1  .  ?        ?  
1522  17  1  A   2  HIS  A   2  .  ?        ?  
1523  17  1  A   3  THR  A   3  .  ?        ?  
1524  17  1  A   4  ASN  A   4  .  ?        ?  
1525  17  1  A   5  TRP  A   5  .  ?        ?  
1526  17  1  A   6  GLN  A   6  .  ?        ?  
1527  17  1  A   7  VAL  A   7  .  ?        ?  
1528  17  1  A   8  CYS  A   8  .  ?        ?  
1529  17  1  A   9  SER  A   9  .  ?        ?  
1530  17  1  A  10  LEU  A  10  .  ?        ?  
1531  17  1  A  11  VAL  A  11  .  ?        ?  
1532  17  1  A  12  VAL  A  12  .  ?        ?  
1533  17  1  A  13  GLN  A  13  .  ?        ?  
1534  17  1  A  14  ALA  A  14  .  ?        ?  
1535  17  1  A  15  LYS  A  15  .  ?        ?  
1536  17  1  A  16  SER  A  16  .  ?        ?  
1537  17  1  A  17  GLU  A  17  .  ?        ?  
1538  17  1  A  18  ARG  A  18  .  ?        ?  
1539  17  1  A  19  ILE  A  19  .  ?        ?  
1540  17  1  A  20  SER  A  20  .  ?        ?  
1541  17  1  A  21  ASP  A  21  .  ?        ?  
1542  17  1  A  22  ILE  A  22  .  ?        1  
1543  17  1  A  23  SER  A  23  .  ?        ?  
1544  17  1  A  24  THR  A  24  .  ?        ?  
1545  17  1  A  25  GLN  A  25  .  ?        ?  
1546  17  1  A  26  LEU  A  26  .  ?        1  
1547  17  1  A  27  ASN  A  27  .  ?        ?  
1548  17  1  A  28  ALA  A  28  .  ?        ?  
1549  17  1  A  29  PHE  A  29  .  ?        ?  
1550  17  1  A  30  PRO  A  30  .  ?        ?  
1551  17  1  A  31  GLY  A  31  .  ?        ?  
1552  17  1  A  32  CYS  A  32  .  ?        ?  
1553  17  1  A  33  GLU  A  33  .  ?        ?  
1554  17  1  A  34  VAL  A  34  .  ?        ?  
1555  17  1  A  35  ALA  A  35  .  ?        ?  
1556  17  1  A  36  VAL  A  36  .  ?        ?  
1557  17  1  A  37  SER  A  37  .  ?        ?  
1558  17  1  A  38  ASP  A  38  .  ?        1  
1559  17  1  A  39  ALA  A  39  .  ?        1  
1560  17  1  A  40  PRO  A  40  .  ?        2  
1561  17  1  A  41  SER  A  41  .  ?        ?  
1562  17  1  A  42  GLY  A  42  .  ?        ?  
1563  17  1  A  43  GLN  A  43  .  ?        ?  
1564  17  1  A  44  LEU  A  44  .  ?        ?  
1565  17  1  A  45  ILE  A  45  .  ?        ?  
1566  17  1  A  46  VAL  A  46  .  ?        ?  
1567  17  1  A  47  VAL  A  47  .  ?        ?  
1568  17  1  A  48  VAL  A  48  .  ?        ?  
1569  17  1  A  49  GLU  A  49  .  ?        ?  
1570  17  1  A  50  ALA  A  50  .  ?        ?  
1571  17  1  A  51  GLU  A  51  .  ?        ?  
1572  17  1  A  52  ASP  A  52  .  ?        ?  
1573  17  1  A  53  SER  A  53  .  ?        1  
1574  17  1  A  54  GLU  A  54  .  ?        ?  
1575  17  1  A  55  THR  A  55  .  ?        ?  
1576  17  1  A  56  LEU  A  56  .  ?        ?  
1577  17  1  A  57  ILE  A  57  .  ?        1  
1578  17  1  A  58  GLN  A  58  .  ?        ?  
1579  17  1  A  59  THR  A  59  .  ?        ?  
1580  17  1  A  60  ILE  A  60  .  ?        ?  
1581  17  1  A  61  GLU  A  61  .  ?        ?  
1582  17  1  A  62  SER  A  62  .  ?        ?  
1583  17  1  A  63  VAL  A  63  .  ?        ?  
1584  17  1  A  64  ARG  A  64  .  ?        ?  
1585  17  1  A  65  ASN  A  65  .  ?        ?  
1586  17  1  A  66  VAL  A  66  .  ?        ?  
1587  17  1  A  67  GLU  A  67  .  ?        ?  
1588  17  1  A  68  GLY  A  68  .  ?        ?  
1589  17  1  A  69  VAL  A  69  .  ?        ?  
1590  17  1  A  70  LEU  A  70  .  ?        ?  
1591  17  1  A  71  ALA  A  71  .  ?        ?  
1592  17  1  A  72  VAL  A  72  .  ?        ?  
1593  17  1  A  73  SER  A  73  .  ?        ?  
1594  17  1  A  74  LEU  A  74  .  ?        ?  
1595  17  1  A  75  VAL  A  75  .  ?        ?  
1596  17  1  A  76  TYR  A  76  .  ?        ?  
1597  17  1  A  77  HIS  A  77  .  ?        ?  
1598  17  1  A  78  GLN  A  78  .  ?        ?  
1599  17  1  A  79  GLN  A  79  .  ?        ?  
1600  17  1  A  80  GLU  A  80  .  ?        ?  
1601  17  1  A  81  GLU  A  81  .  ?        ?  
1602  17  1  A  82  GLN  A  82  .  ?        ?  
1603  17  1  A  83  GLY  A  83  .  ?        ?  
1604  17  1  A  84  GLU  A  84  .  ?        ?  
1605  17  1  A  85  GLU  A  85  .  ?        ?  
1606  17  1  A  86  THR  A  86  .  ?        ?  
1607  17  1  A  87  PRO  A  87  .  ?        ?  
1608  17  1  A  88  ARG  A  88  .  ?        ?  
1609  17  1  A  89  SER  A  89  .  ?        ?  
1610  17  1  A  90  HIS  A  90  .  ?        ?  
1611  17  1  A  91  HIS  A  91  .  ?        ?  
1612  17  1  A  92  HIS  A  92  .  ?        ?  
1613  17  1  A  93  HIS  A  93  .  ?        ?  
1614  17  1  A  94  HIS  A  94  .  ?        ?  
1615  17  1  A  95  HIS  A  95  .  ?        ?  
1616  18  1  A   1  MET  A   1  .  ?        ?  
1617  18  1  A   2  HIS  A   2  .  ?        ?  
1618  18  1  A   3  THR  A   3  .  ?        ?  
1619  18  1  A   4  ASN  A   4  .  ?        ?  
1620  18  1  A   5  TRP  A   5  .  ?        ?  
1621  18  1  A   6  GLN  A   6  .  ?        ?  
1622  18  1  A   7  VAL  A   7  .  ?        ?  
1623  18  1  A   8  CYS  A   8  .  ?        ?  
1624  18  1  A   9  SER  A   9  .  ?        ?  
1625  18  1  A  10  LEU  A  10  .  ?        ?  
1626  18  1  A  11  VAL  A  11  .  ?        ?  
1627  18  1  A  12  VAL  A  12  .  ?        ?  
1628  18  1  A  13  GLN  A  13  .  ?        ?  
1629  18  1  A  14  ALA  A  14  .  ?        ?  
1630  18  1  A  15  LYS  A  15  .  ?        ?  
1631  18  1  A  16  SER  A  16  .  ?        ?  
1632  18  1  A  17  GLU  A  17  .  ?        ?  
1633  18  1  A  18  ARG  A  18  .  ?        1  
1634  18  1  A  19  ILE  A  19  .  ?        ?  
1635  18  1  A  20  SER  A  20  .  ?        ?  
1636  18  1  A  21  ASP  A  21  .  ?        ?  
1637  18  1  A  22  ILE  A  22  .  ?        2  
1638  18  1  A  23  SER  A  23  .  ?        ?  
1639  18  1  A  24  THR  A  24  .  ?        ?  
1640  18  1  A  25  GLN  A  25  .  ?        ?  
1641  18  1  A  26  LEU  A  26  .  ?        1  
1642  18  1  A  27  ASN  A  27  .  ?        ?  
1643  18  1  A  28  ALA  A  28  .  ?        ?  
1644  18  1  A  29  PHE  A  29  .  ?        ?  
1645  18  1  A  30  PRO  A  30  .  ?        ?  
1646  18  1  A  31  GLY  A  31  .  ?        ?  
1647  18  1  A  32  CYS  A  32  .  ?        ?  
1648  18  1  A  33  GLU  A  33  .  ?        ?  
1649  18  1  A  34  VAL  A  34  .  ?        ?  
1650  18  1  A  35  ALA  A  35  .  ?        ?  
1651  18  1  A  36  VAL  A  36  .  ?        ?  
1652  18  1  A  37  SER  A  37  .  ?        ?  
1653  18  1  A  38  ASP  A  38  .  ?        1  
1654  18  1  A  39  ALA  A  39  .  ?        1  
1655  18  1  A  40  PRO  A  40  .  ?        2  
1656  18  1  A  41  SER  A  41  .  ?        ?  
1657  18  1  A  42  GLY  A  42  .  ?        ?  
1658  18  1  A  43  GLN  A  43  .  ?        ?  
1659  18  1  A  44  LEU  A  44  .  ?        ?  
1660  18  1  A  45  ILE  A  45  .  ?        ?  
1661  18  1  A  46  VAL  A  46  .  ?        ?  
1662  18  1  A  47  VAL  A  47  .  ?        ?  
1663  18  1  A  48  VAL  A  48  .  ?        ?  
1664  18  1  A  49  GLU  A  49  .  ?        ?  
1665  18  1  A  50  ALA  A  50  .  ?        ?  
1666  18  1  A  51  GLU  A  51  .  ?        ?  
1667  18  1  A  52  ASP  A  52  .  ?        ?  
1668  18  1  A  53  SER  A  53  .  ?        ?  
1669  18  1  A  54  GLU  A  54  .  ?        ?  
1670  18  1  A  55  THR  A  55  .  ?        ?  
1671  18  1  A  56  LEU  A  56  .  ?        ?  
1672  18  1  A  57  ILE  A  57  .  ?        ?  
1673  18  1  A  58  GLN  A  58  .  ?        ?  
1674  18  1  A  59  THR  A  59  .  ?        ?  
1675  18  1  A  60  ILE  A  60  .  ?        ?  
1676  18  1  A  61  GLU  A  61  .  ?        ?  
1677  18  1  A  62  SER  A  62  .  ?        ?  
1678  18  1  A  63  VAL  A  63  .  ?        ?  
1679  18  1  A  64  ARG  A  64  .  ?        ?  
1680  18  1  A  65  ASN  A  65  .  ?        ?  
1681  18  1  A  66  VAL  A  66  .  ?        ?  
1682  18  1  A  67  GLU  A  67  .  ?        ?  
1683  18  1  A  68  GLY  A  68  .  ?        ?  
1684  18  1  A  69  VAL  A  69  .  ?        ?  
1685  18  1  A  70  LEU  A  70  .  ?        ?  
1686  18  1  A  71  ALA  A  71  .  ?        ?  
1687  18  1  A  72  VAL  A  72  .  ?        ?  
1688  18  1  A  73  SER  A  73  .  ?        ?  
1689  18  1  A  74  LEU  A  74  .  ?        ?  
1690  18  1  A  75  VAL  A  75  .  ?        ?  
1691  18  1  A  76  TYR  A  76  .  ?        ?  
1692  18  1  A  77  HIS  A  77  .  ?        ?  
1693  18  1  A  78  GLN  A  78  .  ?        ?  
1694  18  1  A  79  GLN  A  79  .  ?        ?  
1695  18  1  A  80  GLU  A  80  .  ?        ?  
1696  18  1  A  81  GLU  A  81  .  ?        ?  
1697  18  1  A  82  GLN  A  82  .  ?        ?  
1698  18  1  A  83  GLY  A  83  .  ?        ?  
1699  18  1  A  84  GLU  A  84  .  ?        ?  
1700  18  1  A  85  GLU  A  85  .  ?        ?  
1701  18  1  A  86  THR  A  86  .  ?        ?  
1702  18  1  A  87  PRO  A  87  .  ?        ?  
1703  18  1  A  88  ARG  A  88  .  ?        ?  
1704  18  1  A  89  SER  A  89  .  ?        ?  
1705  18  1  A  90  HIS  A  90  .  ?        ?  
1706  18  1  A  91  HIS  A  91  .  ?        ?  
1707  18  1  A  92  HIS  A  92  .  ?        ?  
1708  18  1  A  93  HIS  A  93  .  ?        ?  
1709  18  1  A  94  HIS  A  94  .  ?        ?  
1710  18  1  A  95  HIS  A  95  .  ?        ?  
1711  19  1  A   1  MET  A   1  .  ?        ?  
1712  19  1  A   2  HIS  A   2  .  ?        ?  
1713  19  1  A   3  THR  A   3  .  ?        ?  
1714  19  1  A   4  ASN  A   4  .  ?        ?  
1715  19  1  A   5  TRP  A   5  .  ?        ?  
1716  19  1  A   6  GLN  A   6  .  ?        ?  
1717  19  1  A   7  VAL  A   7  .  ?        ?  
1718  19  1  A   8  CYS  A   8  .  ?        ?  
1719  19  1  A   9  SER  A   9  .  ?        ?  
1720  19  1  A  10  LEU  A  10  .  ?        ?  
1721  19  1  A  11  VAL  A  11  .  ?        ?  
1722  19  1  A  12  VAL  A  12  .  ?        ?  
1723  19  1  A  13  GLN  A  13  .  ?        ?  
1724  19  1  A  14  ALA  A  14  .  ?        ?  
1725  19  1  A  15  LYS  A  15  .  ?        ?  
1726  19  1  A  16  SER  A  16  .  ?        ?  
1727  19  1  A  17  GLU  A  17  .  ?        ?  
1728  19  1  A  18  ARG  A  18  .  ?        ?  
1729  19  1  A  19  ILE  A  19  .  ?        ?  
1730  19  1  A  20  SER  A  20  .  ?        ?  
1731  19  1  A  21  ASP  A  21  .  ?        ?  
1732  19  1  A  22  ILE  A  22  .  ?        ?  
1733  19  1  A  23  SER  A  23  .  ?        ?  
1734  19  1  A  24  THR  A  24  .  ?        ?  
1735  19  1  A  25  GLN  A  25  .  ?        ?  
1736  19  1  A  26  LEU  A  26  .  ?        ?  
1737  19  1  A  27  ASN  A  27  .  ?        ?  
1738  19  1  A  28  ALA  A  28  .  ?        ?  
1739  19  1  A  29  PHE  A  29  .  ?        ?  
1740  19  1  A  30  PRO  A  30  .  ?        ?  
1741  19  1  A  31  GLY  A  31  .  ?        ?  
1742  19  1  A  32  CYS  A  32  .  ?        ?  
1743  19  1  A  33  GLU  A  33  .  ?        ?  
1744  19  1  A  34  VAL  A  34  .  ?        ?  
1745  19  1  A  35  ALA  A  35  .  ?        ?  
1746  19  1  A  36  VAL  A  36  .  ?        ?  
1747  19  1  A  37  SER  A  37  .  ?        ?  
1748  19  1  A  38  ASP  A  38  .  ?        ?  
1749  19  1  A  39  ALA  A  39  .  ?        1  
1750  19  1  A  40  PRO  A  40  .  ?        1  
1751  19  1  A  41  SER  A  41  .  ?        ?  
1752  19  1  A  42  GLY  A  42  .  ?        ?  
1753  19  1  A  43  GLN  A  43  .  ?        ?  
1754  19  1  A  44  LEU  A  44  .  ?        ?  
1755  19  1  A  45  ILE  A  45  .  ?        ?  
1756  19  1  A  46  VAL  A  46  .  ?        ?  
1757  19  1  A  47  VAL  A  47  .  ?        ?  
1758  19  1  A  48  VAL  A  48  .  ?        ?  
1759  19  1  A  49  GLU  A  49  .  ?        ?  
1760  19  1  A  50  ALA  A  50  .  ?        ?  
1761  19  1  A  51  GLU  A  51  .  ?        ?  
1762  19  1  A  52  ASP  A  52  .  ?        1  
1763  19  1  A  53  SER  A  53  .  ?        ?  
1764  19  1  A  54  GLU  A  54  .  ?        1  
1765  19  1  A  55  THR  A  55  .  ?        ?  
1766  19  1  A  56  LEU  A  56  .  ?        ?  
1767  19  1  A  57  ILE  A  57  .  ?        ?  
1768  19  1  A  58  GLN  A  58  .  ?        ?  
1769  19  1  A  59  THR  A  59  .  ?        ?  
1770  19  1  A  60  ILE  A  60  .  ?        ?  
1771  19  1  A  61  GLU  A  61  .  ?        ?  
1772  19  1  A  62  SER  A  62  .  ?        ?  
1773  19  1  A  63  VAL  A  63  .  ?        ?  
1774  19  1  A  64  ARG  A  64  .  ?        ?  
1775  19  1  A  65  ASN  A  65  .  ?        ?  
1776  19  1  A  66  VAL  A  66  .  ?        ?  
1777  19  1  A  67  GLU  A  67  .  ?        ?  
1778  19  1  A  68  GLY  A  68  .  ?        ?  
1779  19  1  A  69  VAL  A  69  .  ?        ?  
1780  19  1  A  70  LEU  A  70  .  ?        ?  
1781  19  1  A  71  ALA  A  71  .  ?        ?  
1782  19  1  A  72  VAL  A  72  .  ?        ?  
1783  19  1  A  73  SER  A  73  .  ?        ?  
1784  19  1  A  74  LEU  A  74  .  ?        ?  
1785  19  1  A  75  VAL  A  75  .  ?        ?  
1786  19  1  A  76  TYR  A  76  .  ?        ?  
1787  19  1  A  77  HIS  A  77  .  ?        ?  
1788  19  1  A  78  GLN  A  78  .  ?        ?  
1789  19  1  A  79  GLN  A  79  .  ?        ?  
1790  19  1  A  80  GLU  A  80  .  ?        ?  
1791  19  1  A  81  GLU  A  81  .  ?        ?  
1792  19  1  A  82  GLN  A  82  .  ?        ?  
1793  19  1  A  83  GLY  A  83  .  ?        ?  
1794  19  1  A  84  GLU  A  84  .  ?        ?  
1795  19  1  A  85  GLU  A  85  .  ?        ?  
1796  19  1  A  86  THR  A  86  .  ?        ?  
1797  19  1  A  87  PRO  A  87  .  ?        ?  
1798  19  1  A  88  ARG  A  88  .  ?        ?  
1799  19  1  A  89  SER  A  89  .  ?        ?  
1800  19  1  A  90  HIS  A  90  .  ?        ?  
1801  19  1  A  91  HIS  A  91  .  ?        ?  
1802  19  1  A  92  HIS  A  92  .  ?        ?  
1803  19  1  A  93  HIS  A  93  .  ?        ?  
1804  19  1  A  94  HIS  A  94  .  ?        ?  
1805  19  1  A  95  HIS  A  95  .  ?        ?  
1806  20  1  A   1  MET  A   1  .  ?        ?  
1807  20  1  A   2  HIS  A   2  .  ?        ?  
1808  20  1  A   3  THR  A   3  .  ?        ?  
1809  20  1  A   4  ASN  A   4  .  ?        ?  
1810  20  1  A   5  TRP  A   5  .  ?        ?  
1811  20  1  A   6  GLN  A   6  .  ?        ?  
1812  20  1  A   7  VAL  A   7  .  ?        ?  
1813  20  1  A   8  CYS  A   8  .  ?        1  
1814  20  1  A   9  SER  A   9  .  ?        ?  
1815  20  1  A  10  LEU  A  10  .  ?        ?  
1816  20  1  A  11  VAL  A  11  .  ?        ?  
1817  20  1  A  12  VAL  A  12  .  ?        ?  
1818  20  1  A  13  GLN  A  13  .  ?        ?  
1819  20  1  A  14  ALA  A  14  .  ?        ?  
1820  20  1  A  15  LYS  A  15  .  ?        ?  
1821  20  1  A  16  SER  A  16  .  ?        ?  
1822  20  1  A  17  GLU  A  17  .  ?        ?  
1823  20  1  A  18  ARG  A  18  .  ?        ?  
1824  20  1  A  19  ILE  A  19  .  ?        ?  
1825  20  1  A  20  SER  A  20  .  ?        ?  
1826  20  1  A  21  ASP  A  21  .  ?        ?  
1827  20  1  A  22  ILE  A  22  .  ?        ?  
1828  20  1  A  23  SER  A  23  .  ?        ?  
1829  20  1  A  24  THR  A  24  .  ?        ?  
1830  20  1  A  25  GLN  A  25  .  ?        ?  
1831  20  1  A  26  LEU  A  26  .  ?        ?  
1832  20  1  A  27  ASN  A  27  .  ?        ?  
1833  20  1  A  28  ALA  A  28  .  ?        ?  
1834  20  1  A  29  PHE  A  29  .  ?        ?  
1835  20  1  A  30  PRO  A  30  .  ?        ?  
1836  20  1  A  31  GLY  A  31  .  ?        ?  
1837  20  1  A  32  CYS  A  32  .  ?        ?  
1838  20  1  A  33  GLU  A  33  .  ?        ?  
1839  20  1  A  34  VAL  A  34  .  ?        ?  
1840  20  1  A  35  ALA  A  35  .  ?        ?  
1841  20  1  A  36  VAL  A  36  .  ?        ?  
1842  20  1  A  37  SER  A  37  .  ?        ?  
1843  20  1  A  38  ASP  A  38  .  ?        ?  
1844  20  1  A  39  ALA  A  39  .  ?        1  
1845  20  1  A  40  PRO  A  40  .  ?        1  
1846  20  1  A  41  SER  A  41  .  ?        ?  
1847  20  1  A  42  GLY  A  42  .  ?        ?  
1848  20  1  A  43  GLN  A  43  .  ?        ?  
1849  20  1  A  44  LEU  A  44  .  ?        ?  
1850  20  1  A  45  ILE  A  45  .  ?        ?  
1851  20  1  A  46  VAL  A  46  .  ?        ?  
1852  20  1  A  47  VAL  A  47  .  ?        ?  
1853  20  1  A  48  VAL  A  48  .  ?        ?  
1854  20  1  A  49  GLU  A  49  .  ?        ?  
1855  20  1  A  50  ALA  A  50  .  ?        ?  
1856  20  1  A  51  GLU  A  51  .  ?        ?  
1857  20  1  A  52  ASP  A  52  .  ?        ?  
1858  20  1  A  53  SER  A  53  .  ?        ?  
1859  20  1  A  54  GLU  A  54  .  ?        ?  
1860  20  1  A  55  THR  A  55  .  ?        ?  
1861  20  1  A  56  LEU  A  56  .  ?        1  
1862  20  1  A  57  ILE  A  57  .  ?        ?  
1863  20  1  A  58  GLN  A  58  .  ?        ?  
1864  20  1  A  59  THR  A  59  .  ?        ?  
1865  20  1  A  60  ILE  A  60  .  ?        ?  
1866  20  1  A  61  GLU  A  61  .  ?        ?  
1867  20  1  A  62  SER  A  62  .  ?        ?  
1868  20  1  A  63  VAL  A  63  .  ?        ?  
1869  20  1  A  64  ARG  A  64  .  ?        ?  
1870  20  1  A  65  ASN  A  65  .  ?        ?  
1871  20  1  A  66  VAL  A  66  .  ?        ?  
1872  20  1  A  67  GLU  A  67  .  ?        ?  
1873  20  1  A  68  GLY  A  68  .  ?        ?  
1874  20  1  A  69  VAL  A  69  .  ?        ?  
1875  20  1  A  70  LEU  A  70  .  ?        ?  
1876  20  1  A  71  ALA  A  71  .  ?        ?  
1877  20  1  A  72  VAL  A  72  .  ?        ?  
1878  20  1  A  73  SER  A  73  .  ?        ?  
1879  20  1  A  74  LEU  A  74  .  ?        ?  
1880  20  1  A  75  VAL  A  75  .  ?        ?  
1881  20  1  A  76  TYR  A  76  .  ?        ?  
1882  20  1  A  77  HIS  A  77  .  ?        ?  
1883  20  1  A  78  GLN  A  78  .  ?        ?  
1884  20  1  A  79  GLN  A  79  .  ?        ?  
1885  20  1  A  80  GLU  A  80  .  ?        ?  
1886  20  1  A  81  GLU  A  81  .  ?        ?  
1887  20  1  A  82  GLN  A  82  .  ?        ?  
1888  20  1  A  83  GLY  A  83  .  ?        ?  
1889  20  1  A  84  GLU  A  84  .  ?        ?  
1890  20  1  A  85  GLU  A  85  .  ?        ?  
1891  20  1  A  86  THR  A  86  .  ?        ?  
1892  20  1  A  87  PRO  A  87  .  ?        ?  
1893  20  1  A  88  ARG  A  88  .  ?        ?  
1894  20  1  A  89  SER  A  89  .  ?        ?  
1895  20  1  A  90  HIS  A  90  .  ?        ?  
1896  20  1  A  91  HIS  A  91  .  ?        ?  
1897  20  1  A  92  HIS  A  92  .  ?        ?  
1898  20  1  A  93  HIS  A  93  .  ?        ?  
1899  20  1  A  94  HIS  A  94  .  ?        ?  
1900  20  1  A  95  HIS  A  95  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
   1     1  ptm           ?       ?  ?        11   8  0.62  10  0.51  molprobity     ?  False  
   2     2  t60       -88.2   107.9  Favored   7  11  0.88  15  0.54  molprobity     ?  False  
   3     3  p         -85.7   163.2  Favored   7   7  0.80  10  0.42  molprobity     ?  False  
   4     4  t-20      -77.7    90.0  Favored   6   8  0.97  11  0.86  molprobity     ?  False  
   5     5  OUTLIER   -85.9   165.0  Favored  10  16  0.80  23  0.48  molprobity     ?  False  
   6     6  pt20     -127.7   142.3  Favored   8   9  1.10  12  0.44  molprobity     1  True   
   7     7  m        -100.5   147.6  Favored   9   7  1.15  10  0.69  molprobity     1  True   
   8     8  m        -142.0   131.6  Favored   5   6  0.74   8  0.41  molprobity     1  True   
   9     9  t         -85.0   143.9  Favored   5   6  1.41   8  0.68  molprobity     1  True   
  10    10  mt       -123.3   125.7  Favored  11   8  1.17  11  0.54  molprobity     1  True   
  11    11  t         -96.2   101.5  Favored   9   7  1.15  10  0.77  molprobity     1  True   
  12    12  t         -95.7   115.4  Favored   9   7  0.90  10  0.46  molprobity     1  True   
  13    13  tp60      -93.0   116.6  Favored   8   9  1.05  12  0.58  molprobity     1  True   
  14    14  ?        -136.0   172.3  Favored   5   5  0.81   7  0.51  molprobity     1  True   
  15    15  OUTLIER   -56.5   114.6  Favored  13   9  0.49  11  0.95  molprobity     1  True   
  16    16  m         -58.4   -26.7  Favored   5   6  0.80   8  0.89  molprobity     1  True   
  17    17  pt-20     -77.5   -29.4  Favored   6   9  0.78  12  0.50  molprobity     1  True   
  18    18  ttt180   -105.0    12.8  Favored  13  11  0.62  14  0.84  molprobity     1  True   
  19    19  mm        -55.5   -39.2  Favored  11   8  0.45  11  0.47  molprobity     1  True   
  20    20  m         -65.2   -42.7  Favored   5   6  0.53   8  0.21  molprobity     1  True   
  21    21  m-20      -65.6   -49.0  Favored   4   8  0.45  11  0.81  molprobity     1  True   
  22    22  mt        -61.6   -49.9  Favored  11   8  0.27  11  0.41  molprobity     1  True   
  23    23  p         -59.7   -46.2  Favored   5   6  0.32   8  0.39  molprobity     1  True   
  24    24  m         -57.8   -48.9  Favored   7   7  0.62  10  0.48  molprobity     1  True   
  25    25  tt0       -62.8   -46.3  Favored   8   9  1.00  12  0.50  molprobity     1  True   
  26    26  mt        -66.7   -33.0  Favored  11   8  0.53  11  0.35  molprobity     1  True   
  27    27  t-20      -75.0    -8.6  Favored   6   8  0.70  11  0.50  molprobity     1  True   
  28    28  ?         -95.7     7.0  Favored   5   5  0.51   7  0.49  molprobity     1  True   
  29    29  m-85      -86.7   154.8  Favored   9  12  0.56  17  0.52  molprobity     1  True   
  30    30  Cg_endo   -75.9   111.3  Favored   7   8  0.51  11  0.52  molprobity     1  True   
  31    31  ?          90.8     0.9  Favored   3   4  0.84   5  0.23  molprobity     1  True   
  32    32  m        -102.8   124.6  Favored   5   6  0.93   8  0.49  molprobity     1  True   
  33    33  tp10     -125.4   134.3  Favored   6   9  0.77  12  0.67  molprobity     1  True   
  34    34  t         -85.4   108.9  Favored   9   7  0.73  10  0.58  molprobity     1  True   
  35    35  ?         -83.9   -54.1  Favored   5   5  0.82   7  0.35  molprobity     1  True   
  36    36  t        -123.4   139.5  Favored   9   7  0.65  10  0.47  molprobity     1  True   
  37    37  p        -136.2   103.7  Favored   5   6  0.84   8  0.58  molprobity     1  True   
  38    38  t70      -108.0    93.9  Favored   4   8  0.55  11  0.86  molprobity     1  True   
  39    39  ?         -59.2   -44.4  Favored   5   5  1.02   8  0.68  molprobity     1  True   
  40    40  Cg_endo   -52.5   -44.4  Favored   7   8  0.72  11  0.94  molprobity     1  True   
  41    41  m         -88.3   -26.1  Favored   5   6  0.33   8  0.38  molprobity     1  True   
  42    42  ?          91.1    25.6  Favored   3   4  0.99   5  0.57  molprobity     1  True   
  43    43  mt-30    -100.1   125.7  Favored   8   9  0.92  12  0.49  molprobity     1  True   
  44    44  mt       -121.5   123.9  Favored  11   8  0.85  11  0.43  molprobity     1  True   
  45    45  mm        -97.2   117.9  Favored  11   8  0.98  11  0.60  molprobity     1  True   
  46    46  t        -120.9   126.1  Favored   9   7  1.05  10  0.46  molprobity     1  True   
  47    47  t        -103.0   123.1  Favored   9   7  0.90  10  0.50  molprobity     1  True   
  48    48  t        -113.9   129.2  Favored   9   7  0.74  10  0.47  molprobity     1  True   
  49    49  pt-20    -120.6   122.4  Favored   6   9  0.61  12  0.77  molprobity     1  True   
  50    50  ?        -140.8   147.6  Favored   5   5  0.56   7  0.97  molprobity     1  True   
  51    51  mt-10     -50.4   -61.2  Favored   6   9  0.86  12  0.70  molprobity     1  True   
  52    52  t70      -111.2   155.3  Favored   4   8  0.50  11  0.73  molprobity     1  True   
  53    53  m         -57.5   -34.9  Favored   5   6  0.47   8  0.43  molprobity     1  True   
  54    54  tt0       -73.7   -37.5  Favored   6   9  0.80  12  0.78  molprobity     1  True   
  55    55  m         -63.1   -35.2  Favored   7   7  0.42  10  0.83  molprobity     1  True   
  56    56  tp        -63.4   -47.6  Favored  11   8  0.45  11  0.39  molprobity     1  True   
  57    57  mm        -59.3   -46.3  Favored  11   8  0.40  11  0.51  molprobity     1  True   
  58    58  mt-30     -54.7   -41.3  Favored   8   9  0.57  12  0.49  molprobity     1  True   
  59    59  m         -73.6   -49.4  Favored   7   7  0.90  10  0.56  molprobity     1  True   
  60    60  mt        -62.5   -37.6  Favored  11   8  0.46  11  0.34  molprobity     1  True   
  61    61  tt0       -62.6   -36.9  Favored   6   9  0.46  12  0.39  molprobity     1  True   
  62    62  t         -67.3   -38.2  Favored   5   6  0.49   8  0.45  molprobity     1  True   
  63    63  t         -58.6   -39.6  Favored   9   7  0.59  10  0.57  molprobity     1  True   
  64    64  mtp180    -76.6    -8.7  Favored  13  11  0.63  14  0.41  molprobity     1  True   
  65    65  m-80      -93.7     4.8  Favored   6   8  0.54  11  0.43  molprobity     1  True   
  66    66  t         -85.5   135.9  Favored   9   7  0.93  10  0.69  molprobity     1  True   
  67    67  tt0       -72.0   117.7  Favored   6   9  1.94  12  1.12  molprobity     1  True   
  68    68  ?         141.3   -30.6  Favored   3   4  2.23   5  1.05  molprobity     1  True   
  69    69  t         -81.0   130.6  Favored   9   7  0.95  10  0.43  molprobity     1  True   
  70    70  mt        -98.0   -53.0  Favored  11   8  0.64  11  0.44  molprobity     1  True   
  71    71  ?        -143.8   134.6  Favored   5   5  0.95   7  0.26  molprobity     1  True   
  72    72  t        -108.2   112.0  Favored   9   7  1.05  10  0.69  molprobity     1  True   
  73    73  m         -93.8   107.8  Favored   5   6  1.12   8  0.78  molprobity     1  True   
  74    74  OUTLIER   -79.8   122.7  Favored  11   8  0.59  11  0.55  molprobity     1  True   
  75    75  t         -68.5   -21.0  Favored   9   7  0.90  10  0.79  molprobity     1  True   
  76    76  t80      -121.7   104.9  Favored   9  13  0.86  18  0.35  molprobity     ?  False  
  77    77  p80      -130.8   147.2  Favored   7  11  0.81  15  0.44  molprobity     ?  False  
  78    78  pt20     -113.0  -178.0  Favored   8   9  0.88  12  0.54  molprobity     ?  False  
  79    79  pt20      -79.5   177.1  Favored   8   9  0.59  12  0.51  molprobity     ?  False  
  80    80  pt-20     -75.5   157.1  Favored   6   9  0.73  12  0.65  molprobity     ?  False  
  81    81  mm-40     -59.6   -42.5  Favored   6   9  0.47  12  0.78  molprobity     ?  False  
  82    82  tt0        69.8   -51.7  Allowed   8   9  0.76  12  0.49  molprobity     ?  False  
  83    83  ?         113.6   132.7  Favored   3   4  1.64   5  0.65  molprobity     ?  False  
  84    84  tp10      -91.8   122.9  Favored   6   9  0.75  12  0.77  molprobity     ?  False  
  85    85  mt-10     -72.8   -22.0  Favored   6   9  0.56  12  0.52  molprobity     ?  False  
  86    86  m        -141.2   109.8  Favored   7   7  0.57  11  0.65  molprobity     ?  False  
  87    87  Cg_endo   -66.0   160.9  Favored   7   8  0.96  11  0.63  molprobity     ?  False  
  88    88  ptm180    -96.3  -169.0  Allowed  13  11  0.68  14  0.70  molprobity     ?  False  
  89    89  m         -75.6   125.1  Favored   5   6  0.97   8  0.66  molprobity     ?  False  
  90    90  m-70     -108.4   143.6  Favored   7  11  0.64  15  0.57  molprobity     ?  False  
  91    91  m80      -126.6    44.2  Favored   7  11  0.48  15  0.30  molprobity     ?  False  
  92    92  m-70      -90.1    92.8  Favored   7  11  0.64  15  0.68  molprobity     ?  False  
  93    93  p80      -110.9   130.7  Favored   7  11  0.84  15  0.81  molprobity     ?  False  
  94    94  m-70      -83.7   -23.7  Favored   7  11  0.72  15  0.43  molprobity     ?  False  
  95    95  t60           ?       ?  ?         7  11  0.78  12  0.60  molprobity     ?  False  
  96    96  mmt           ?       ?  ?        11   8  0.54  10  0.43  molprobity     ?  False  
  97    97  m170     -113.4   148.2  Favored   7  11  0.58  15  0.55  molprobity     ?  False  
  98    98  m          74.7   -47.2  Allowed   7   7  0.66  10  0.51  molprobity     ?  False  
  99    99  m120      -76.2   102.6  Favored   6   8  0.95  11  0.73  molprobity     ?  False  
 100   100  p-90      -63.7   169.1  Favored  10  16  0.98  23  0.49  molprobity     ?  False  
 101   101  pt20     -123.8   143.5  Favored   8   9  0.85  12  0.41  molprobity     1  True   
 102   102  m        -103.6   153.6  Favored   9   7  1.08  10  0.69  molprobity     1  True   
 103   103  p        -139.4   132.5  Favored   5   6  1.23   8  0.56  molprobity     1  True   
 104   104  t         -95.0   129.6  Favored   5   6  1.53   8  0.68  molprobity     1  True   
 105   105  mt       -111.6   120.2  Favored  11   8  1.26  11  0.51  molprobity     1  True   
 106   106  t         -90.6   102.1  Favored   9   7  1.04  10  0.70  molprobity     1  True   
 107   107  t         -99.2   103.1  Favored   9   7  0.81  10  0.41  molprobity     1  True   
 108   108  OUTLIER   -96.6   108.0  Favored   8   9  0.68  12  0.87  molprobity     1  True   
 109   109  ?        -133.7   172.8  Favored   5   5  0.39   7  0.42  molprobity     1  True   
 110   110  mptt      -54.5   125.6  Favored  13   9  0.57  11  0.95  molprobity     1  True   
 111   111  t         -61.9   -37.7  Favored   5   6  0.69   8  0.64  molprobity     1  True   
 112   112  pt-20     -80.5   -10.7  Favored   6   9  0.54  12  0.62  molprobity     1  True   
 113   113  ttt180   -106.1     3.5  Favored  13  11  0.50  14  0.57  molprobity     1  True   
 114   114  mm        -57.0   -41.2  Favored  11   8  0.51  11  0.46  molprobity     1  True   
 115   115  t         -64.2   -41.9  Favored   5   6  0.79   8  0.51  molprobity     1  True   
 116   116  m-20      -64.7   -50.6  Favored   4   8  0.51  11  0.71  molprobity     1  True   
 117   117  mt        -63.9   -40.2  Favored  11   8  0.45  11  0.44  molprobity     1  True   
 118   118  m         -59.4   -35.2  Favored   5   6  0.53   8  0.32  molprobity     1  True   
 119   119  m         -77.5   -37.0  Favored   7   7  0.71  10  0.81  molprobity     1  True   
 120   120  mt-30     -65.9   -45.7  Favored   8   9  0.92  12  0.54  molprobity     1  True   
 121   121  mt        -66.0   -36.5  Favored  11   8  0.46  11  0.46  molprobity     1  True   
 122   122  t-20      -67.6   -26.9  Favored   6   8  0.51  11  0.52  molprobity     1  True   
 123   123  ?         -74.1   -13.7  Favored   5   5  0.53   7  0.30  molprobity     1  True   
 124   124  m-85      -78.8   149.6  Favored   9  12  1.01  17  0.49  molprobity     1  True   
 125   125  Cg_exo    -63.9   117.4  Favored   7   8  0.32  11  0.32  molprobity     1  True   
 126   126  ?          76.5     2.1  Favored   3   4  0.75   5  0.12  molprobity     1  True   
 127   127  m        -104.1   111.7  Favored   5   6  1.15   8  0.66  molprobity     1  True   
 128   128  tt0      -124.1   140.4  Favored   6   9  0.90  12  0.57  molprobity     1  True   
 129   129  t         -79.8   111.1  Favored   9   7  0.71  10  0.54  molprobity     1  True   
 130   130  ?         -88.1   -58.0  Favored   5   5  0.59   7  0.34  molprobity     1  True   
 131   131  t        -112.2   117.7  Favored   9   7  0.74  10  0.44  molprobity     1  True   
 132   132  m        -111.2   118.1  Favored   5   6  0.80   8  0.31  molprobity     1  True   
 133   133  t70      -120.7    89.7  Favored   4   8  0.56  11  0.70  molprobity     1  True   
 134   134  ?         -60.2   -40.7  Favored   5   5  1.38   8  0.67  molprobity     1  True   
 135   135  Cg_endo   -51.9   -44.4  Favored   7   8  0.80  11  0.90  molprobity     1  True   
 136   136  m         -89.9   -25.3  Favored   5   6  0.53   8  0.42  molprobity     1  True   
 137   137  ?          89.8    24.7  Favored   3   4  0.76   5  0.43  molprobity     1  True   
 138   138  mt-30    -107.1   127.6  Favored   8   9  1.12  12  0.55  molprobity     1  True   
 139   139  mt       -117.5   123.1  Favored  11   8  0.86  11  0.43  molprobity     1  True   
 140   140  mm        -92.0   118.4  Favored  11   8  0.80  11  0.50  molprobity     1  True   
 141   141  t        -110.2   123.7  Favored   9   7  0.82  10  0.46  molprobity     1  True   
 142   142  t        -104.1   118.4  Favored   9   7  0.92  10  0.61  molprobity     1  True   
 143   143  t        -115.8   132.6  Favored   9   7  0.56  10  0.94  molprobity     1  True   
 144   144  OUTLIER  -118.8   122.1  Favored   6   9  1.00  12  1.02  molprobity     1  True   
 145   145  ?        -128.1   158.1  Favored   5   5  0.91   7  0.67  molprobity     1  True   
 146   146  mm-40     -66.2   -74.1  Allowed   6   9  0.51  12  0.52  molprobity     1  True   
 147   147  m-20      -95.7   158.6  Favored   4   8  0.59  11  0.59  molprobity     1  True   
 148   148  m         -66.0   -41.2  Favored   5   6  0.70   8  0.54  molprobity     1  True   
 149   149  pt-20     -71.7   -32.4  Favored   6   9  0.57  12  0.74  molprobity     1  True   
 150   150  m         -63.6   -39.0  Favored   7   7  0.45  10  0.78  molprobity     1  True   
 151   151  tp        -61.8   -48.1  Favored  11   8  0.28  11  0.50  molprobity     1  True   
 152   152  mm        -56.0   -48.7  Favored  11   8  0.38  11  0.43  molprobity     1  True   
 153   153  mm-40     -55.3   -42.0  Favored   8   9  0.59  12  0.47  molprobity     1  True   
 154   154  m         -66.2   -48.0  Favored   7   7  0.74  10  0.48  molprobity     1  True   
 155   155  mt        -57.6   -39.0  Favored  11   8  0.40  11  0.30  molprobity     1  True   
 156   156  mt-10     -61.7   -46.4  Favored   6   9  0.65  12  0.76  molprobity     1  True   
 157   157  t         -65.0   -35.3  Favored   5   6  0.62   8  0.34  molprobity     1  True   
 158   158  t         -62.2   -39.7  Favored   9   7  0.58  10  0.52  molprobity     1  True   
 159   159  mtm180    -74.0    -9.3  Favored  13  11  0.59  14  0.43  molprobity     1  True   
 160   160  OUTLIER   -72.9    -5.9  Favored   6   8  0.63  11  0.53  molprobity     1  True   
 161   161  t         -84.8   100.1  Favored   9   7  0.85  10  0.80  molprobity     1  True   
 162   162  mt-10     -89.0    66.2  Favored   6   9  1.48  12  1.02  molprobity     1  True   
 163   163  ?        -134.7     6.3  Favored   3   4  1.03   5  1.07  molprobity     1  True   
 164   164  t         -94.9   135.8  Favored   9   7  0.75  10  0.50  molprobity     1  True   
 165   165  mt        -90.3   -56.8  Favored  11   8  0.73  11  0.48  molprobity     1  True   
 166   166  ?        -126.8   117.3  Favored   5   5  1.15   7  0.41  molprobity     1  True   
 167   167  p        -108.7   109.7  Favored   9   7  1.16  10  0.70  molprobity     1  True   
 168   168  m        -106.0   116.6  Favored   5   6  1.03   8  0.71  molprobity     1  True   
 169   169  tt        -82.7   124.4  Favored  11   8  0.62  11  0.85  molprobity     1  True   
 170   170  p         -63.5   -18.0  Favored   9   7  0.71  10  0.66  molprobity     1  True   
 171   171  t80      -108.6    23.4  Favored   9  13  0.67  18  0.79  molprobity     ?  False  
 172   172  t-80     -137.9   111.1  Favored   7  11  0.79  15  0.41  molprobity     ?  False  
 173   173  mm-40     -91.6    96.7  Favored   8   9  0.66  12  0.34  molprobity     ?  False  
 174   174  tp60      -75.5   -49.4  Favored   8   9  0.54  12  0.69  molprobity     ?  False  
 175   175  mt-10      61.3  -164.6  Allowed   6   9  0.84  12  0.51  molprobity     ?  False  
 176   176  pt-20     -74.1   -24.0  Favored   6   9  0.94  12  0.58  molprobity     ?  False  
 177   177  tp-100    -74.3   113.7  Favored   8   9  0.68  12  0.37  molprobity     ?  False  
 178   178  ?        -107.5   144.3  Favored   3   4  1.07   5  0.72  molprobity     ?  False  
 179   179  mm-40     -65.2   -73.3  Allowed   6   9  0.85  12  0.78  molprobity     ?  False  
 180   180  pt-20    -148.7   102.4  Favored   6   9  1.13  12  0.98  molprobity     ?  False  
 181   181  m        -110.8   109.2  Favored   7   7  0.98  11  0.74  molprobity     ?  False  
 182   182  Cg_endo   -78.7    37.0  Allowed   7   8  0.64  11  0.38  molprobity     ?  False  
 183   183  mtt180   -108.9    21.8  Favored  13  11  0.75  14  0.59  molprobity     ?  False  
 184   184  m        -126.1   170.9  Favored   5   6  0.94   8  0.53  molprobity     ?  False  
 185   185  t60       -90.8    94.5  Favored   7  11  0.74  15  0.45  molprobity     ?  False  
 186   186  m-70      -84.9   -56.3  Favored   7  11  0.62  15  0.52  molprobity     ?  False  
 187   187  p-80     -176.3   152.7  Allowed   7  11  0.62  15  0.50  molprobity     ?  False  
 188   188  m170     -102.6     1.9  Favored   7  11  0.40  15  0.85  molprobity     ?  False  
 189   189  t60        76.5    92.8  Allowed   7  11  0.65  15  0.80  molprobity     ?  False  
 190   190  t60           ?       ?  ?         7  11  0.68  12  0.78  molprobity     ?  False  
 191   191  tpt           ?       ?  ?        11   8  0.52  10  0.26  molprobity     ?  False  
 192   192  m-70     -107.0    95.3  Favored   7  11  0.77  15  0.68  molprobity     ?  False  
 193   193  OUTLIER   -74.2   -24.6  Favored   7   7  0.63  10  0.93  molprobity     ?  False  
 194   194  t-20       63.7    87.4  Allowed   6   8  0.79  11  1.04  molprobity     ?  False  
 195   195  OUTLIER   -62.3   156.2  Favored  10  16  0.74  23  0.60  molprobity     ?  False  
 196   196  mt-30     -88.8   120.0  Favored   8   9  1.00  12  0.49  molprobity     1  True   
 197   197  m        -118.7   113.8  Favored   9   7  1.01  10  0.59  molprobity     1  True   
 198   198  m        -130.0   151.1  Favored   5   6  1.05   8  0.46  molprobity     1  True   
 199   199  t         -98.0   140.3  Favored   5   6  1.51   8  0.58  molprobity     1  True   
 200   200  mt       -115.9   123.6  Favored  11   8  1.17  11  0.54  molprobity     1  True   
 201   201  t         -95.5   101.6  Favored   9   7  1.18  10  0.74  molprobity     1  True   
 202   202  t         -94.7   106.7  Favored   9   7  1.05  10  0.48  molprobity     1  True   
 203   203  mt-30     -84.5   118.5  Favored   8   9  0.91  12  0.70  molprobity     1  True   
 204   204  ?        -139.6   169.3  Favored   5   5  0.60   7  0.50  molprobity     1  True   
 205   205  mptp?     -56.8   115.7  Favored  13   9  0.71  11  0.97  molprobity     1  True   
 206   206  m         -62.8   -27.9  Favored   5   6  0.77   8  0.87  molprobity     1  True   
 207   207  pt-20     -77.7   -23.8  Favored   6   9  0.69  12  0.59  molprobity     1  True   
 208   208  ttm180   -103.5     5.8  Favored  13  11  0.76  14  0.54  molprobity     1  True   
 209   209  mt        -57.0   -38.5  Favored  11   8  0.47  11  0.50  molprobity     1  True   
 210   210  m         -56.5   -37.8  Favored   5   6  0.71   8  0.88  molprobity     1  True   
 211   211  m-20      -78.1   -56.4  Favored   4   8  0.35  11  0.90  molprobity     1  True   
 212   212  mt        -59.7   -45.8  Favored  11   8  0.48  11  0.42  molprobity     1  True   
 213   213  t         -64.7   -30.6  Favored   5   6  0.76   8  0.34  molprobity     1  True   
 214   214  m         -76.2   -36.9  Favored   7   7  0.64  10  0.75  molprobity     1  True   
 215   215  mt-30     -70.7   -45.4  Favored   8   9  0.75  12  0.55  molprobity     1  True   
 216   216  mt        -66.5   -39.1  Favored  11   8  0.58  11  0.33  molprobity     1  True   
 217   217  t30       -77.9    -2.3  Favored   6   8  0.87  11  0.52  molprobity     1  True   
 218   218  ?         -89.2   -17.3  Favored   5   5  0.44   7  0.34  molprobity     1  True   
 219   219  m-85      -80.6   143.7  Favored   9  12  0.73  17  0.51  molprobity     1  True   
 220   220  Cg_exo    -70.1   126.2  Favored   7   8  0.44  11  0.46  molprobity     1  True   
 221   221  ?          90.4     0.7  Favored   3   4  0.83   5  0.46  molprobity     1  True   
 222   222  t        -123.9   119.3  Favored   5   6  1.27   8  0.97  molprobity     1  True   
 223   223  tt0      -136.4   141.2  Favored   6   9  0.90  12  0.44  molprobity     1  True   
 224   224  t         -89.6   118.4  Favored   9   7  0.58  10  0.46  molprobity     1  True   
 225   225  ?         -93.5   -40.6  Favored   5   5  0.39   7  0.23  molprobity     1  True   
 226   226  t        -137.4   120.9  Favored   9   7  0.83  10  0.67  molprobity     1  True   
 227   227  m        -112.2   123.0  Favored   5   6  0.78   8  0.24  molprobity     1  True   
 228   228  m-20     -118.4    95.8  Favored   4   8  0.96  11  0.87  molprobity     1  True   
 229   229  ?         -57.1   -44.8  Favored   5   5  1.36   8  0.60  molprobity     1  True   
 230   230  Cg_endo   -58.8   -40.4  Favored   7   8  0.73  11  0.95  molprobity     1  True   
 231   231  m         -86.5   -19.7  Favored   5   6  0.70   8  0.57  molprobity     1  True   
 232   232  ?          76.6    25.4  Favored   3   4  0.53   5  0.84  molprobity     1  True   
 233   233  mt-30    -109.4   134.7  Favored   8   9  0.94  12  0.65  molprobity     1  True   
 234   234  mt       -129.7   112.7  Favored  11   8  0.77  11  0.44  molprobity     1  True   
 235   235  mm        -89.7   117.5  Favored  11   8  0.91  11  0.60  molprobity     1  True   
 236   236  t        -118.5   127.7  Favored   9   7  1.04  10  0.41  molprobity     1  True   
 237   237  t        -103.0   113.5  Favored   9   7  0.90  10  0.52  molprobity     1  True   
 238   238  t        -103.0   127.9  Favored   9   7  0.85  10  0.58  molprobity     1  True   
 239   239  pt-20    -120.7   122.4  Favored   6   9  0.89  12  0.45  molprobity     1  True   
 240   240  ?        -153.6   141.8  Favored   5   5  0.79   7  0.38  molprobity     1  True   
 241   241  tt0       -81.6   -53.6  Favored   6   9  0.84  12  0.56  molprobity     1  True   
 242   242  m-20      -76.5   146.1  Favored   4   8  0.70  11  0.60  molprobity     1  True   
 243   243  t         -65.0   -40.4  Favored   5   6  0.67   8  0.57  molprobity     1  True   
 244   244  pt-20     -72.5   -28.8  Favored   6   9  0.79  12  0.69  molprobity     1  True   
 245   245  m         -65.5   -35.2  Favored   7   7  0.58  10  0.49  molprobity     1  True   
 246   246  tp        -66.7   -49.2  Favored  11   8  0.30  11  0.51  molprobity     1  True   
 247   247  mm        -54.8   -51.6  Favored  11   8  0.50  11  0.45  molprobity     1  True   
 248   248  mm-40     -58.3   -35.9  Favored   8   9  0.77  12  0.40  molprobity     1  True   
 249   249  m         -71.1   -47.1  Favored   7   7  0.64  10  0.49  molprobity     1  True   
 250   250  mt        -62.7   -39.3  Favored  11   8  0.44  11  0.57  molprobity     1  True   
 251   251  tp10      -54.9   -51.6  Favored   6   9  0.55  12  0.69  molprobity     1  True   
 252   252  m         -57.7   -42.7  Favored   5   6  0.85   8  0.83  molprobity     1  True   
 253   253  t         -60.8   -45.3  Favored   9   7  0.34  10  0.71  molprobity     1  True   
 254   254  mtp180    -73.1    -9.5  Favored  13  11  0.56  14  0.48  molprobity     1  True   
 255   255  m-80      -86.8    -4.4  Favored   6   8  0.56  11  0.34  molprobity     1  True   
 256   256  t         -86.8   120.3  Favored   9   7  0.79  10  0.65  molprobity     1  True   
 257   257  mt-10     -82.4   105.9  Favored   6   9  1.81  12  0.92  molprobity     1  True   
 258   258  ?         158.9   -10.7  Allowed   3   4  1.85   5  0.74  molprobity     1  True   
 259   259  t         -81.1   122.5  Favored   9   7  0.64  10  0.45  molprobity     1  True   
 260   260  mt        -81.8   -53.1  Favored  11   8  0.56  11  0.65  molprobity     1  True   
 261   261  ?        -153.5   124.0  Favored   5   5  1.20   7  0.45  molprobity     1  True   
 262   262  p        -108.9   109.2  Favored   9   7  1.03  10  0.74  molprobity     1  True   
 263   263  m         -90.5   121.5  Favored   5   6  1.06   8  0.60  molprobity     1  True   
 264   264  tt        -83.4   115.8  Favored  11   8  0.92  11  0.82  molprobity     1  True   
 265   265  t        -106.9    87.1  Allowed   9   7  0.99  10  0.57  molprobity     1  True   
 266   266  t80       -85.0   -26.7  Favored   9  13  0.49  18  0.82  molprobity     ?  False  
 267   267  m80       -89.7    98.6  Favored   7  11  0.56  15  0.47  molprobity     ?  False  
 268   268  tp60     -123.3   124.6  Favored   8   9  0.53  12  0.75  molprobity     ?  False  
 269   269  tt0        66.2    90.2  Allowed   8   9  0.62  12  0.61  molprobity     ?  False  
 270   270  pt-20    -158.5   -22.1  Allowed   6   9  0.53  12  0.51  molprobity     ?  False  
 271   271  mm-40     -62.9   -37.6  Favored   6   9  0.71  12  0.59  molprobity     ?  False  
 272   272  mt-30    -123.8   177.6  Favored   8   9  0.97  12  0.43  molprobity     ?  False  
 273   273  ?        -144.1    66.7  Allowed   3   4  1.62   5  1.02  molprobity     ?  False  
 274   274  mp0        61.8  -151.3  Allowed   6   9  0.71  12  0.72  molprobity     ?  False  
 275   275  mp0       -66.6   159.1  Favored   6   9  1.12  12  0.67  molprobity     ?  False  
 276   276  m        -141.0   117.1  Favored   7   7  0.83  11  0.65  molprobity     ?  False  
 277   277  Cg_endo   -67.6   171.8  Favored   7   8  0.54  11  0.25  molprobity     ?  False  
 278   278  mtt180    -83.5     7.2  Favored  13  11  0.49  14  0.80  molprobity     ?  False  
 279   279  t        -139.2   122.0  Favored   5   6  0.90   8  0.58  molprobity     ?  False  
 280   280  p80       -83.2   -25.0  Favored   7  11  0.35  15  0.63  molprobity     ?  False  
 281   281  m-70       73.9   115.2  Allowed   7  11  0.45  15  0.76  molprobity     ?  False  
 282   282  m80       -92.5   -27.3  Favored   7  11  0.41  15  0.81  molprobity     ?  False  
 283   283  m-70     -111.0   105.8  Favored   7  11  0.67  15  0.45  molprobity     ?  False  
 284   284  m80       -81.8   -17.4  Favored   7  11  0.66  15  0.39  molprobity     ?  False  
 285   285  m80           ?       ?  ?         7  11  0.68  12  0.59  molprobity     ?  False  
 286   286  mpt?          ?       ?  ?        11   8  0.73  10  0.44  molprobity     ?  False  
 287   287  m-70      -76.2   127.8  Favored   7  11  0.73  15  0.43  molprobity     ?  False  
 288   288  m        -148.5    51.0  Allowed   7   7  0.75  10  0.98  molprobity     ?  False  
 289   289  m120     -133.2    49.3  Favored   6   8  0.97  11  0.88  molprobity     ?  False  
 290   290  OUTLIER   -65.8   153.5  Favored  10  16  0.89  23  0.75  molprobity     ?  False  
 291   291  mp0       -94.8   141.6  Favored   8   9  1.15  12  0.72  molprobity     1  True   
 292   292  m        -124.7   141.8  Favored   9   7  1.04  10  0.41  molprobity     1  True   
 293   293  p        -143.9   155.2  Favored   5   6  0.96   8  0.39  molprobity     1  True   
 294   294  t        -107.8   147.1  Favored   5   6  1.36   8  0.62  molprobity     1  True   
 295   295  mt       -128.6   130.8  Favored  11   8  0.85  11  0.60  molprobity     1  True   
 296   296  t         -96.0   102.6  Favored   9   7  1.00  10  0.72  molprobity     1  True   
 297   297  t         -94.1   104.4  Favored   9   7  0.96  10  0.51  molprobity     1  True   
 298   298  tp-100    -87.3   111.6  Favored   8   9  0.75  12  0.72  molprobity     1  True   
 299   299  ?        -137.0   172.1  Favored   5   5  0.49   7  0.37  molprobity     1  True   
 300   300  mptp?     -57.2   117.5  Favored  13   9  0.40  11  0.92  molprobity     1  True   
 301   301  t         -55.9   -36.4  Favored   5   6  0.84   8  0.63  molprobity     1  True   
 302   302  pt-20     -68.7   -17.4  Favored   6   9  0.87  12  0.63  molprobity     1  True   
 303   303  ttt180   -123.6     9.3  Favored  13  11  0.71  14  0.78  molprobity     1  True   
 304   304  mm        -52.8   -47.5  Favored  11   8  0.64  11  0.46  molprobity     1  True   
 305   305  m         -57.8   -43.6  Favored   5   6  0.82   8  0.90  molprobity     1  True   
 306   306  t70       -76.1   -39.8  Favored   4   8  0.44  11  0.45  molprobity     1  True   
 307   307  mt        -63.8   -38.3  Favored  11   8  0.34  11  0.33  molprobity     1  True   
 308   308  t         -65.2   -32.9  Favored   5   6  0.51   8  0.32  molprobity     1  True   
 309   309  m         -73.0   -32.5  Favored   7   7  0.73  10  0.89  molprobity     1  True   
 310   310  mt-30     -72.7   -45.4  Favored   8   9  1.01  12  0.47  molprobity     1  True   
 311   311  mt        -65.3   -39.6  Favored  11   8  0.57  11  0.30  molprobity     1  True   
 312   312  m-20      -72.5    -3.3  Favored   6   8  0.68  11  0.32  molprobity     1  True   
 313   313  ?         -88.5   -22.5  Favored   5   5  0.46   7  0.32  molprobity     1  True   
 314   314  m-85      -77.8   141.6  Favored   9  12  0.78  17  0.44  molprobity     1  True   
 315   315  Cg_exo    -71.8   111.7  Favored   7   8  0.59  11  0.50  molprobity     1  True   
 316   316  ?         105.5    -8.0  Favored   3   4  1.06   5  0.33  molprobity     1  True   
 317   317  t        -108.3   122.4  Favored   5   6  1.07   8  0.63  molprobity     1  True   
 318   318  tt0      -143.6   135.1  Favored   6   9  0.83  12  0.49  molprobity     1  True   
 319   319  t         -80.2   114.2  Favored   9   7  0.69  10  0.58  molprobity     1  True   
 320   320  ?         -87.1   -53.8  Favored   5   5  0.49   7  0.33  molprobity     1  True   
 321   321  t        -119.0   131.1  Favored   9   7  0.87  10  0.51  molprobity     1  True   
 322   322  p        -122.7   109.1  Favored   5   6  0.92   8  0.46  molprobity     1  True   
 323   323  t70      -108.1    88.5  Favored   4   8  0.54  11  0.92  molprobity     1  True   
 324   324  ?         -56.0   -41.6  Favored   5   5  1.30   8  0.66  molprobity     1  True   
 325   325  Cg_endo   -49.9   -44.4  Favored   7   8  0.73  11  0.88  molprobity     1  True   
 326   326  p         -88.3   -31.4  Favored   5   6  0.60   8  0.44  molprobity     1  True   
 327   327  ?          93.3    23.2  Favored   3   4  0.92   5  0.57  molprobity     1  True   
 328   328  mt-30    -106.1   130.2  Favored   8   9  0.91  12  0.53  molprobity     1  True   
 329   329  mt       -115.3   127.6  Favored  11   8  0.87  11  0.37  molprobity     1  True   
 330   330  mm        -94.8   118.2  Favored  11   8  0.95  11  0.55  molprobity     1  True   
 331   331  t        -112.9   131.4  Favored   9   7  1.07  10  0.51  molprobity     1  True   
 332   332  t        -106.0   117.7  Favored   9   7  1.06  10  0.59  molprobity     1  True   
 333   333  t         -99.8   125.2  Favored   9   7  1.07  10  0.68  molprobity     1  True   
 334   334  mt-10    -118.3   122.1  Favored   6   9  0.91  12  0.71  molprobity     1  True   
 335   335  ?        -152.6   140.5  Favored   5   5  0.62   7  0.58  molprobity     1  True   
 336   336  tp10      -63.6   -46.5  Favored   6   9  0.42  12  0.61  molprobity     1  True   
 337   337  m-20      -95.9   144.8  Favored   4   8  0.61  11  0.71  molprobity     1  True   
 338   338  t         -70.3   -27.6  Favored   5   6  0.70   8  0.46  molprobity     1  True   
 339   339  pt-20     -73.7   -40.9  Favored   6   9  0.94  12  0.44  molprobity     1  True   
 340   340  m         -62.8   -34.0  Favored   7   7  0.41  10  0.50  molprobity     1  True   
 341   341  tp        -58.6   -49.8  Favored  11   8  0.30  11  0.58  molprobity     1  True   
 342   342  mm        -61.7   -47.6  Favored  11   8  0.39  11  0.62  molprobity     1  True   
 343   343  mt-30     -55.3   -41.8  Favored   8   9  0.54  12  0.42  molprobity     1  True   
 344   344  m         -67.1   -35.5  Favored   7   7  0.55  10  0.49  molprobity     1  True   
 345   345  mt        -69.9   -32.8  Favored  11   8  0.49  11  0.41  molprobity     1  True   
 346   346  mt-10     -62.1   -43.0  Favored   6   9  0.40  12  0.70  molprobity     1  True   
 347   347  m         -57.6   -47.7  Favored   5   6  0.88   8  0.95  molprobity     1  True   
 348   348  t         -58.9   -40.3  Favored   9   7  0.42  10  0.65  molprobity     1  True   
 349   349  mtm105    -74.8    -9.7  Favored  13  11  0.70  14  0.58  molprobity     1  True   
 350   350  m-80      -88.0    -7.2  Favored   6   8  0.57  11  0.33  molprobity     1  True   
 351   351  t         -78.6   116.9  Favored   9   7  0.85  10  0.60  molprobity     1  True   
 352   352  mt-10     -82.4   104.7  Favored   6   9  1.71  12  1.06  molprobity     1  True   
 353   353  ?         146.8   -12.3  Allowed   3   4  1.22   5  1.18  molprobity     1  True   
 354   354  t         -89.5   139.4  Favored   9   7  0.73  10  0.42  molprobity     1  True   
 355   355  mt       -101.3   -40.4  Favored  11   8  0.55  11  0.24  molprobity     1  True   
 356   356  ?        -156.4   127.1  Favored   5   5  1.07   7  0.28  molprobity     1  True   
 357   357  t        -108.3   109.7  Favored   9   7  0.92  10  0.72  molprobity     1  True   
 358   358  t         -98.2   124.6  Favored   5   6  1.09   8  0.50  molprobity     1  True   
 359   359  tt        -84.0   132.2  Favored  11   8  0.71  11  0.74  molprobity     1  True   
 360   360  t         -74.6    -2.4  Favored   9   7  1.02  10  1.10  molprobity     1  True   
 361   361  t80      -134.2   102.6  Favored   9  13  0.70  18  0.37  molprobity     ?  False  
 362   362  t60      -128.8   135.9  Favored   7  11  0.58  15  0.36  molprobity     ?  False  
 363   363  mt-30    -119.0   145.2  Favored   8   9  0.86  12  0.57  molprobity     ?  False  
 364   364  tt0       -86.0   -47.5  Favored   8   9  0.75  12  0.63  molprobity     ?  False  
 365   365  mm-40    -103.6   103.9  Favored   6   9  0.66  12  0.58  molprobity     ?  False  
 366   366  mm-40     -73.2   -41.5  Favored   6   9  0.29  12  0.94  molprobity     ?  False  
 367   367  mt-30      62.9  -178.8  Allowed   8   9  0.81  12  0.55  molprobity     ?  False  
 368   368  ?        -140.1  -126.3  Favored   3   4  2.26   5  0.90  molprobity     ?  False  
 369   369  OUTLIER  -103.1   -18.5  Favored   6   9  0.99  12  0.92  molprobity     ?  False  
 370   370  mp0        67.7    94.6  Allowed   6   9  0.98  12  0.98  molprobity     ?  False  
 371   371  t        -107.5   126.0  Favored   7   7  1.15  11  0.55  molprobity     ?  False  
 372   372  Cg_endo   -93.4  -171.8  Allowed   7   8  1.01  11  0.53  molprobity     ?  False  
 373   373  ptt180   -113.5   160.8  Favored  13  11  0.93  14  0.56  molprobity     ?  False  
 374   374  m        -150.3   142.1  Favored   5   6  0.94   8  0.58  molprobity     ?  False  
 375   375  m-70      -81.2   131.0  Favored   7  11  0.81  15  0.54  molprobity     ?  False  
 376   376  m80       -79.9   -38.5  Favored   7  11  0.61  15  0.34  molprobity     ?  False  
 377   377  m-70     -128.0   126.9  Favored   7  11  0.80  15  0.50  molprobity     ?  False  
 378   378  m170      -82.1   145.6  Favored   7  11  0.56  15  0.40  molprobity     ?  False  
 379   379  m80       -87.3   174.4  Favored   7  11  0.34  15  0.58  molprobity     ?  False  
 380   380  m80           ?       ?  ?         7  11  0.56  12  0.43  molprobity     ?  False  
 381   381  ttm           ?       ?  ?        11   8  0.43  10  0.41  molprobity     ?  False  
 382   382  t60       -93.2   119.0  Favored   7  11  0.57  15  0.55  molprobity     ?  False  
 383   383  m          51.1    80.1  Allowed   7   7  0.98  10  0.69  molprobity     ?  False  
 384   384  t-20      -85.6   116.7  Favored   6   8  1.20  11  0.79  molprobity     ?  False  
 385   385  OUTLIER  -116.6   171.5  Favored  10  16  1.01  23  0.68  molprobity     ?  False  
 386   386  pt20     -124.3   134.8  Favored   8   9  1.04  12  0.65  molprobity     1  True   
 387   387  m        -107.5   151.8  Favored   9   7  0.97  10  0.47  molprobity     1  True   
 388   388  p        -141.5   151.6  Favored   5   6  1.04   8  0.36  molprobity     1  True   
 389   389  t        -119.3   137.5  Favored   5   6  1.20   8  0.73  molprobity     1  True   
 390   390  mt       -126.8   130.1  Favored  11   8  0.84  11  0.50  molprobity     1  True   
 391   391  t         -94.1   102.2  Favored   9   7  1.12  10  0.88  molprobity     1  True   
 392   392  t         -89.3   108.8  Favored   9   7  1.08  10  0.62  molprobity     1  True   
 393   393  mt-30     -92.9   118.1  Favored   8   9  0.89  12  0.72  molprobity     1  True   
 394   394  ?        -142.2   172.4  Favored   5   5  0.57   7  0.50  molprobity     1  True   
 395   395  mptp?     -60.8   121.5  Favored  13   9  0.50  11  0.82  molprobity     1  True   
 396   396  t         -60.5   -42.4  Favored   5   6  0.39   8  0.47  molprobity     1  True   
 397   397  pt-20     -69.4   -16.9  Favored   6   9  0.76  12  0.59  molprobity     1  True   
 398   398  ttt180   -108.3     0.7  Favored  13  11  0.53  14  0.79  molprobity     1  True   
 399   399  mt        -56.9   -35.3  Favored  11   8  0.61  11  0.52  molprobity     1  True   
 400   400  m         -55.4   -46.2  Favored   5   6  0.74   8  1.01  molprobity     1  True   
 401   401  m-20      -74.7   -47.6  Favored   4   8  0.34  11  0.74  molprobity     1  True   
 402   402  mt        -59.7   -43.1  Favored  11   8  0.38  11  0.38  molprobity     1  True   
 403   403  m         -61.9   -36.4  Favored   5   6  0.43   8  0.27  molprobity     1  True   
 404   404  m         -76.5   -34.2  Favored   7   7  0.76  10  0.64  molprobity     1  True   
 405   405  mt-30     -67.0   -41.8  Favored   8   9  0.83  12  0.42  molprobity     1  True   
 406   406  mt        -65.8   -38.9  Favored  11   8  0.62  11  0.19  molprobity     1  True   
 407   407  m-80      -75.7    -2.6  Favored   6   8  0.66  11  0.55  molprobity     1  True   
 408   408  ?         -87.1   -26.0  Favored   5   5  0.37   7  0.30  molprobity     1  True   
 409   409  m-85      -76.0   140.2  Favored   9  12  0.79  17  0.49  molprobity     1  True   
 410   410  Cg_exo    -66.8   111.2  Favored   7   8  0.48  11  0.42  molprobity     1  True   
 411   411  ?          97.9     4.7  Favored   3   4  1.05   5  0.38  molprobity     1  True   
 412   412  t        -117.8   113.7  Favored   5   6  1.12   8  0.75  molprobity     1  True   
 413   413  tt0      -131.5   142.2  Favored   6   9  0.48  12  0.55  molprobity     1  True   
 414   414  t         -87.7   128.4  Favored   9   7  0.75  10  0.68  molprobity     1  True   
 415   415  ?        -101.0   -64.4  Allowed   5   5  0.74   7  0.44  molprobity     1  True   
 416   416  t         -99.9   128.9  Favored   9   7  0.81  10  0.44  molprobity     1  True   
 417   417  p        -126.6   105.4  Favored   5   6  0.98   8  0.54  molprobity     1  True   
 418   418  m-20     -103.5    92.5  Favored   4   8  0.72  11  1.12  molprobity     1  True   
 419   419  ?         -56.0   -47.3  Favored   5   5  1.33   8  0.62  molprobity     1  True   
 420   420  Cg_endo   -55.9   -44.3  Favored   7   8  0.78  11  1.04  molprobity     1  True   
 421   421  m         -81.3   -22.8  Favored   5   6  0.52   8  0.81  molprobity     1  True   
 422   422  ?          83.1    25.0  Favored   3   4  0.66   5  0.82  molprobity     1  True   
 423   423  mt-30    -112.6   128.3  Favored   8   9  0.91  12  0.55  molprobity     1  True   
 424   424  mt       -128.3   119.1  Favored  11   8  0.68  11  0.31  molprobity     1  True   
 425   425  mm        -89.4   118.4  Favored  11   8  0.98  11  0.57  molprobity     1  True   
 426   426  t        -113.3   128.4  Favored   9   7  1.05  10  0.57  molprobity     1  True   
 427   427  t        -106.1   111.5  Favored   9   7  0.98  10  0.56  molprobity     1  True   
 428   428  t        -106.4   126.0  Favored   9   7  0.98  10  0.58  molprobity     1  True   
 429   429  pt-20    -136.5   130.0  Favored   6   9  0.98  12  0.89  molprobity     1  True   
 430   430  ?        -156.0   163.0  Favored   5   5  0.57   7  0.44  molprobity     1  True   
 431   431  tt0       -73.0   -66.4  Allowed   6   9  0.74  12  0.59  molprobity     1  True   
 432   432  m-20      -73.0   141.2  Favored   4   8  0.67  11  0.72  molprobity     1  True   
 433   433  m         -66.0   -34.9  Favored   5   6  0.84   8  0.45  molprobity     1  True   
 434   434  tt0       -64.4   -45.6  Favored   6   9  0.75  12  0.78  molprobity     1  True   
 435   435  m         -61.9   -37.4  Favored   7   7  0.67  10  0.61  molprobity     1  True   
 436   436  tp        -62.9   -50.3  Favored  11   8  0.40  11  0.52  molprobity     1  True   
 437   437  mm        -55.1   -48.6  Favored  11   8  0.67  11  0.78  molprobity     1  True   
 438   438  mt-30     -64.7   -30.8  Favored   8   9  0.68  12  0.32  molprobity     1  True   
 439   439  m         -74.2   -36.5  Favored   7   7  1.03  10  0.61  molprobity     1  True   
 440   440  mt        -66.5   -40.4  Favored  11   8  0.54  11  0.56  molprobity     1  True   
 441   441  tp10      -55.4   -45.7  Favored   6   9  0.39  12  0.68  molprobity     1  True   
 442   442  m         -57.4   -43.4  Favored   5   6  0.85   8  0.73  molprobity     1  True   
 443   443  t         -62.6   -37.6  Favored   9   7  0.41  10  0.67  molprobity     1  True   
 444   444  mtp180    -75.1    -9.4  Favored  13  11  0.83  14  0.52  molprobity     1  True   
 445   445  OUTLIER   -90.3    -4.4  Favored   6   8  0.62  11  0.72  molprobity     1  True   
 446   446  t         -79.0   118.2  Favored   9   7  0.95  10  0.64  molprobity     1  True   
 447   447  mt-10     -80.6   113.3  Favored   6   9  1.95  12  0.98  molprobity     1  True   
 448   448  ?         137.3    -6.1  Favored   3   4  1.45   5  0.91  molprobity     1  True   
 449   449  t         -88.4   144.7  Favored   9   7  0.91  10  0.44  molprobity     1  True   
 450   450  mt        -98.8   -47.7  Favored  11   8  0.52  11  0.61  molprobity     1  True   
 451   451  ?        -156.4   137.2  Favored   5   5  1.13   7  0.32  molprobity     1  True   
 452   452  t        -108.0   108.8  Favored   9   7  0.99  10  0.75  molprobity     1  True   
 453   453  m         -95.6   121.9  Favored   5   6  0.97   8  0.61  molprobity     1  True   
 454   454  OUTLIER   -82.1   116.0  Favored  11   8  0.60  11  0.44  molprobity     1  True   
 455   455  t         -88.8   -58.8  Favored   9   7  1.07  10  0.69  molprobity     1  True   
 456   456  t80      -139.6   146.2  Favored   9  13  0.76  18  0.50  molprobity     ?  False  
 457   457  p80      -162.9  -172.7  Favored   7  11  0.78  15  0.55  molprobity     ?  False  
 458   458  mm-40    -117.0   143.3  Favored   8   9  0.82  12  0.45  molprobity     ?  False  
 459   459  mt-30     -94.3    46.5  Allowed   8   9  0.52  12  0.47  molprobity     ?  False  
 460   460  mm-40     -84.0    -0.5  Favored   6   9  0.69  12  0.39  molprobity     ?  False  
 461   461  tt0       -71.7   -49.6  Favored   6   9  0.52  12  0.84  molprobity     ?  False  
 462   462  tp60       69.8   161.6  Allowed   8   9  0.76  12  0.59  molprobity     ?  False  
 463   463  ?         103.7  -167.2  Favored   3   4  1.68   5  0.44  molprobity     ?  False  
 464   464  mt-10    -120.3   156.1  Favored   6   9  0.75  12  0.47  molprobity     ?  False  
 465   465  mt-10     -92.5    88.2  Favored   6   9  1.04  12  0.81  molprobity     ?  False  
 466   466  p         -85.9   114.4  Favored   7   7  0.80  11  0.56  molprobity     ?  False  
 467   467  Cg_endo   -98.8  -164.2  OUTLIER   7   8  0.97  11  0.65  molprobity     ?  False  
 468   468  mtm180   -110.4    89.4  Favored  13  11  0.76  14  0.66  molprobity     ?  False  
 469   469  m         -90.4    -8.9  Favored   5   6  0.55   8  0.38  molprobity     ?  False  
 470   470  t-80     -153.5   112.4  Favored   7  11  0.57  15  0.32  molprobity     ?  False  
 471   471  m80       -87.1    83.8  Favored   7  11  0.60  15  0.43  molprobity     ?  False  
 472   472  t-80      -82.2   -33.1  Favored   7  11  0.56  15  0.31  molprobity     ?  False  
 473   473  m-70     -105.3   102.7  Favored   7  11  0.52  15  0.67  molprobity     ?  False  
 474   474  t-80       74.7   110.9  Allowed   7  11  0.58  15  0.52  molprobity     ?  False  
 475   475  t-80          ?       ?  ?         7  11  0.60  12  0.45  molprobity     ?  False  
 476   476  tpp           ?       ?  ?        11   8  0.52  10  0.47  molprobity     ?  False  
 477   477  m80      -133.8   176.3  Favored   7  11  0.45  15  0.32  molprobity     ?  False  
 478   478  p         -87.6   -16.7  Favored   7   7  0.66  10  0.75  molprobity     ?  False  
 479   479  m120     -122.2   104.7  Favored   6   8  0.89  11  0.58  molprobity     ?  False  
 480   480  OUTLIER   -71.1   148.6  Favored  10  16  0.77  23  0.69  molprobity     ?  False  
 481   481  pt20      -83.2   130.7  Favored   8   9  0.79  12  0.54  molprobity     1  True   
 482   482  m        -121.0   156.7  Favored   9   7  0.95  10  0.47  molprobity     1  True   
 483   483  p        -147.2   149.4  Favored   5   6  0.93   8  0.45  molprobity     1  True   
 484   484  m        -106.7   149.9  Favored   5   6  1.23   8  0.47  molprobity     1  True   
 485   485  mt       -126.5   127.8  Favored  11   8  0.86  11  0.41  molprobity     1  True   
 486   486  t         -96.0   102.4  Favored   9   7  0.95  10  0.74  molprobity     1  True   
 487   487  t         -88.7   105.6  Favored   9   7  0.89  10  0.55  molprobity     1  True   
 488   488  mt-30     -89.4   115.4  Favored   8   9  0.83  12  0.68  molprobity     1  True   
 489   489  ?        -143.3   172.9  Favored   5   5  0.80   7  0.53  molprobity     1  True   
 490   490  OUTLIER   -68.3   126.0  Favored  13   9  0.46  11  0.61  molprobity     1  True   
 491   491  p         -57.5   -35.0  Favored   5   6  0.63   8  0.83  molprobity     1  True   
 492   492  mm-40     -77.0   -12.5  Favored   6   9  0.65  12  0.79  molprobity     1  True   
 493   493  ttt180   -124.0    17.6  Favored  13  11  0.81  14  0.84  molprobity     1  True   
 494   494  mm        -60.1   -41.8  Favored  11   8  0.61  11  0.47  molprobity     1  True   
 495   495  m         -58.2   -45.9  Favored   5   6  0.56   8  0.64  molprobity     1  True   
 496   496  m-20      -62.2   -50.1  Favored   4   8  0.57  11  0.91  molprobity     1  True   
 497   497  mt        -66.4   -44.8  Favored  11   8  0.55  11  0.66  molprobity     1  True   
 498   498  t         -63.2   -32.2  Favored   5   6  0.58   8  0.31  molprobity     1  True   
 499   499  m         -74.5   -38.9  Favored   7   7  0.55  10  0.75  molprobity     1  True   
 500   500  mt-30     -64.3   -46.2  Favored   8   9  0.68  12  0.54  molprobity     1  True   
 501   501  mt        -64.3   -42.0  Favored  11   8  0.37  11  0.27  molprobity     1  True   
 502   502  m-20      -74.7   -10.2  Favored   6   8  0.47  11  0.31  molprobity     1  True   
 503   503  ?         -85.3   -13.6  Favored   5   5  0.44   7  0.24  molprobity     1  True   
 504   504  m-85      -79.5   143.3  Favored   9  12  0.89  17  0.49  molprobity     1  True   
 505   505  Cg_endo   -82.0    99.1  Allowed   7   8  0.74  11  0.48  molprobity     1  True   
 506   506  ?         115.5    -3.4  Favored   3   4  0.89   5  0.40  molprobity     1  True   
 507   507  m        -114.3   132.6  Favored   5   6  1.10   8  0.62  molprobity     1  True   
 508   508  tt0      -142.8   140.7  Favored   6   9  0.87  12  0.56  molprobity     1  True   
 509   509  t         -74.2   117.3  Favored   9   7  0.70  10  0.54  molprobity     1  True   
 510   510  ?         -91.0   -39.5  Favored   5   5  0.51   7  0.35  molprobity     1  True   
 511   511  t        -133.5   125.5  Favored   9   7  0.93  10  0.69  molprobity     1  True   
 512   512  p        -116.1   105.1  Favored   5   6  0.94   8  0.59  molprobity     1  True   
 513   513  t70      -119.9    95.1  Favored   4   8  0.70  11  0.62  molprobity     1  True   
 514   514  ?         -63.6   -42.2  Favored   5   5  1.29   8  0.63  molprobity     1  True   
 515   515  Cg_endo   -47.3   -44.2  Favored   7   8  0.74  11  1.02  molprobity     1  True   
 516   516  p         -93.5   -17.9  Favored   5   6  0.48   8  0.55  molprobity     1  True   
 517   517  ?          79.0    25.6  Favored   3   4  0.73   5  0.63  molprobity     1  True   
 518   518  mt-30    -118.8   130.6  Favored   8   9  0.95  12  0.46  molprobity     1  True   
 519   519  mt       -119.0   130.3  Favored  11   8  0.86  11  0.34  molprobity     1  True   
 520   520  mm        -96.5   118.4  Favored  11   8  0.91  11  0.61  molprobity     1  True   
 521   521  t        -110.4   137.2  Favored   9   7  1.26  10  0.64  molprobity     1  True   
 522   522  p        -109.5   133.7  Favored   9   7  0.95  10  0.68  molprobity     1  True   
 523   523  t        -122.7   124.4  Favored   9   7  0.80  10  0.56  molprobity     1  True   
 524   524  mp0      -106.2   134.1  Favored   6   9  1.20  12  1.10  molprobity     1  True   
 525   525  ?        -153.2   171.9  Favored   5   5  1.11   7  0.65  molprobity     1  True   
 526   526  tp10     -113.2   -65.9  Allowed   6   9  1.02  12  0.59  molprobity     1  True   
 527   527  t70       -74.8   131.6  Favored   4   8  0.77  11  0.84  molprobity     1  True   
 528   528  m         -65.8   -35.6  Favored   5   6  0.73   8  1.04  molprobity     1  True   
 529   529  pt-20     -73.6   -33.6  Favored   6   9  0.63  12  0.90  molprobity     1  True   
 530   530  m         -60.3   -46.2  Favored   7   7  0.48  10  0.45  molprobity     1  True   
 531   531  tp        -55.3   -49.9  Favored  11   8  0.26  11  0.33  molprobity     1  True   
 532   532  mm        -57.4   -49.8  Favored  11   8  0.47  11  0.64  molprobity     1  True   
 533   533  mt-30     -64.3   -31.6  Favored   8   9  0.43  12  0.33  molprobity     1  True   
 534   534  m         -67.2   -38.3  Favored   7   7  0.52  10  0.59  molprobity     1  True   
 535   535  mt        -67.3   -35.4  Favored  11   8  0.39  11  0.39  molprobity     1  True   
 536   536  mt-10     -60.9   -42.4  Favored   6   9  0.50  12  0.65  molprobity     1  True   
 537   537  m         -57.6   -43.0  Favored   5   6  1.00   8  0.86  molprobity     1  True   
 538   538  t         -61.4   -37.2  Favored   9   7  0.35  10  0.59  molprobity     1  True   
 539   539  mtm180    -71.8    -9.5  Favored  13  11  0.53  14  0.51  molprobity     1  True   
 540   540  OUTLIER   -81.7    -3.9  Favored   6   8  0.47  11  0.51  molprobity     1  True   
 541   541  t         -73.6   109.6  Favored   9   7  0.69  10  0.93  molprobity     1  True   
 542   542  pt-20     -46.0   -35.7  Favored   6   9  1.11  12  0.93  molprobity     1  True   
 543   543  ?         -96.1    13.3  Favored   3   4  0.73   5  0.42  molprobity     1  True   
 544   544  p         -81.8   141.9  Favored   9   7  0.62  10  0.52  molprobity     1  True   
 545   545  mt        -94.2   -60.4  Allowed  11   8  0.63  11  0.68  molprobity     1  True   
 546   546  ?        -147.2   131.9  Favored   5   5  1.23   7  0.48  molprobity     1  True   
 547   547  p        -108.8   110.5  Favored   9   7  1.14  10  0.78  molprobity     1  True   
 548   548  m         -88.4   120.3  Favored   5   6  1.10   8  0.71  molprobity     1  True   
 549   549  tt        -82.8   118.5  Favored  11   8  0.80  11  0.71  molprobity     1  True   
 550   550  t        -105.8    73.5  Allowed   9   7  0.58  10  0.89  molprobity     1  True   
 551   551  t80       160.8    79.0  OUTLIER   9  13  0.78  18  0.74  molprobity     ?  False  
 552   552  t-80     -128.2    65.7  Allowed   7  11  0.82  15  0.48  molprobity     ?  False  
 553   553  tt0      -103.1    87.9  Favored   8   9  0.91  12  0.62  molprobity     ?  False  
 554   554  tm0?      -94.8    96.7  Favored   8   9  1.04  12  0.71  molprobity     ?  False  
 555   555  mt-10     -90.4   130.5  Favored   6   9  0.82  12  0.84  molprobity     ?  False  
 556   556  tt0       -66.8   -46.7  Favored   6   9  0.60  12  0.67  molprobity     ?  False  
 557   557  mt-30      60.9  -158.1  Allowed   8   9  0.62  12  0.38  molprobity     ?  False  
 558   558  ?        -120.9    62.5  Allowed   3   4  1.08   5  0.54  molprobity     ?  False  
 559   559  mt-10     -61.3   131.9  Favored   6   9  0.71  12  0.76  molprobity     ?  False  
 560   560  pt-20     -98.4    -4.1  Favored   6   9  0.80  12  0.73  molprobity     ?  False  
 561   561  p        -126.1    95.5  Favored   7   7  0.62  11  0.62  molprobity     ?  False  
 562   562  Cg_endo   -79.5  -172.8  Allowed   7   8  0.52  11  0.41  molprobity     ?  False  
 563   563  ptt180    -92.8   136.9  Favored  13  11  0.77  14  0.65  molprobity     ?  False  
 564   564  t         -86.9   112.3  Favored   5   6  1.24   8  0.53  molprobity     ?  False  
 565   565  t60      -125.0    48.3  Favored   7  11  0.59  15  0.77  molprobity     ?  False  
 566   566  p-80      -65.8   -30.0  Favored   7  11  0.72  15  0.57  molprobity     ?  False  
 567   567  t60      -123.7   120.5  Favored   7  11  0.75  15  0.47  molprobity     ?  False  
 568   568  t60       -71.7    97.5  Allowed   7  11  0.74  15  0.54  molprobity     ?  False  
 569   569  p-80      -94.8   144.4  Favored   7  11  0.90  15  0.54  molprobity     ?  False  
 570   570  m80           ?       ?  ?         7  11  0.59  12  0.39  molprobity     ?  False  
 571   571  mmt           ?       ?  ?        11   8  0.45  10  0.47  molprobity     ?  False  
 572   572  m170      -83.1   122.8  Favored   7  11  0.80  15  0.43  molprobity     ?  False  
 573   573  m        -118.6   114.5  Favored   7   7  0.96  10  0.54  molprobity     ?  False  
 574   574  m120      -75.3    98.7  Favored   6   8  0.74  11  0.77  molprobity     ?  False  
 575   575  OUTLIER   -68.6   162.1  Favored  10  16  0.78  23  0.63  molprobity     ?  False  
 576   576  pt20     -109.9   141.8  Favored   8   9  0.79  12  0.57  molprobity     1  True   
 577   577  m        -118.3   153.7  Favored   9   7  0.99  10  0.47  molprobity     1  True   
 578   578  p        -141.7   145.6  Favored   5   6  0.93   8  0.37  molprobity     1  True   
 579   579  t        -103.4   128.1  Favored   5   6  1.50   8  0.62  molprobity     1  True   
 580   580  mt       -109.7   117.4  Favored  11   8  1.28  11  0.36  molprobity     1  True   
 581   581  t         -92.7   102.0  Favored   9   7  0.97  10  0.74  molprobity     1  True   
 582   582  t         -98.5   127.6  Favored   9   7  0.90  10  0.67  molprobity     1  True   
 583   583  tp-100   -102.7   129.4  Favored   8   9  0.71  12  0.69  molprobity     1  True   
 584   584  ?        -148.1   172.7  Favored   5   5  0.36   7  0.31  molprobity     1  True   
 585   585  mptt      -59.2   123.8  Favored  13   9  0.47  11  0.89  molprobity     1  True   
 586   586  m         -60.0   -31.6  Favored   5   6  0.51   8  0.51  molprobity     1  True   
 587   587  pt-20     -81.4   -10.2  Favored   6   9  0.84  12  0.55  molprobity     1  True   
 588   588  ttt180   -116.5    11.5  Favored  13  11  0.70  14  0.76  molprobity     1  True   
 589   589  mm        -61.8   -40.0  Favored  11   8  0.43  11  0.31  molprobity     1  True   
 590   590  t         -63.2   -37.7  Favored   5   6  0.89   8  0.34  molprobity     1  True   
 591   591  m-20      -68.5   -55.8  Favored   4   8  0.58  11  0.95  molprobity     1  True   
 592   592  mt        -62.9   -42.9  Favored  11   8  0.50  11  0.45  molprobity     1  True   
 593   593  t         -63.3   -30.5  Favored   5   6  0.92   8  0.32  molprobity     1  True   
 594   594  m         -77.8   -39.5  Favored   7   7  0.67  10  0.83  molprobity     1  True   
 595   595  mt-30     -65.3   -41.0  Favored   8   9  0.82  12  0.56  molprobity     1  True   
 596   596  mt        -64.8   -34.0  Favored  11   8  0.52  11  0.25  molprobity     1  True   
 597   597  m-80      -79.3    -7.8  Favored   6   8  0.66  11  0.48  molprobity     1  True   
 598   598  ?         -82.0   -12.5  Favored   5   5  0.52   7  0.38  molprobity     1  True   
 599   599  m-85      -84.1   147.3  Favored   9  12  0.85  17  0.53  molprobity     1  True   
 600   600  Cg_exo    -62.8   116.3  Favored   7   8  0.41  11  0.38  molprobity     1  True   
 601   601  ?          70.0    23.6  Favored   3   4  0.98   5  0.13  molprobity     1  True   
 602   602  m        -116.0   109.5  Favored   5   6  1.42   8  0.66  molprobity     1  True   
 603   603  tt0      -120.9   139.9  Favored   6   9  0.86  12  0.48  molprobity     1  True   
 604   604  t         -88.6   108.8  Favored   9   7  0.93  10  0.71  molprobity     1  True   
 605   605  ?         -80.8   -59.3  Favored   5   5  0.71   7  0.38  molprobity     1  True   
 606   606  t        -102.5   132.2  Favored   9   7  0.63  10  0.46  molprobity     1  True   
 607   607  m        -136.9   121.6  Favored   5   6  0.70   8  0.34  molprobity     1  True   
 608   608  m-20     -131.5    96.5  Favored   4   8  0.70  11  0.83  molprobity     1  True   
 609   609  ?         -53.0   -42.8  Favored   5   5  1.43   8  0.64  molprobity     1  True   
 610   610  Cg_endo   -61.4   -14.4  Favored   7   8  1.04  11  0.88  molprobity     1  True   
 611   611  t        -113.1   -18.3  Favored   5   6  0.79   8  0.71  molprobity     1  True   
 612   612  ?          71.3    24.6  Favored   3   4  0.50   5  0.76  molprobity     1  True   
 613   613  tt0       -98.2   129.9  Favored   8   9  0.92  12  0.60  molprobity     1  True   
 614   614  mt       -134.7   112.3  Favored  11   8  0.69  11  0.42  molprobity     1  True   
 615   615  mt        -97.8   118.9  Favored  11   8  0.73  11  0.54  molprobity     1  True   
 616   616  t        -109.2   133.0  Favored   9   7  1.03  10  0.54  molprobity     1  True   
 617   617  t        -103.8   111.6  Favored   9   7  0.89  10  0.58  molprobity     1  True   
 618   618  t        -103.5   118.9  Favored   9   7  0.73  10  0.51  molprobity     1  True   
 619   619  pt-20    -114.2   122.3  Favored   6   9  0.74  12  0.80  molprobity     1  True   
 620   620  ?        -144.4   158.8  Favored   5   5  0.70   7  0.36  molprobity     1  True   
 621   621  tt0       -81.8   -54.2  Favored   6   9  0.54  12  0.71  molprobity     1  True   
 622   622  m-20      -88.5   145.2  Favored   4   8  0.62  11  0.98  molprobity     1  True   
 623   623  p         -63.7   -41.2  Favored   5   6  0.74   8  0.94  molprobity     1  True   
 624   624  pt-20     -74.5   -35.8  Favored   6   9  0.66  12  0.62  molprobity     1  True   
 625   625  m         -67.5   -33.8  Favored   7   7  0.53  10  0.57  molprobity     1  True   
 626   626  tp        -58.9   -49.6  Favored  11   8  0.23  11  0.46  molprobity     1  True   
 627   627  mm        -54.2   -49.1  Favored  11   8  0.42  11  0.47  molprobity     1  True   
 628   628  mt-30     -58.1   -41.5  Favored   8   9  0.56  12  0.51  molprobity     1  True   
 629   629  m         -69.7   -38.5  Favored   7   7  0.81  10  0.54  molprobity     1  True   
 630   630  mt        -63.9   -42.4  Favored  11   8  0.34  11  0.46  molprobity     1  True   
 631   631  tp10      -61.8   -37.8  Favored   6   9  0.43  12  0.57  molprobity     1  True   
 632   632  m         -57.9   -45.5  Favored   5   6  0.82   8  0.83  molprobity     1  True   
 633   633  t         -61.4   -37.6  Favored   9   7  0.35  10  0.60  molprobity     1  True   
 634   634  mtm180    -75.9   -10.4  Favored  13  11  0.75  14  0.58  molprobity     1  True   
 635   635  m-80      -87.9     9.0  Favored   6   8  0.67  11  0.47  molprobity     1  True   
 636   636  t         -89.1   133.4  Favored   9   7  0.98  10  0.83  molprobity     1  True   
 637   637  tt0       -82.7   116.5  Favored   6   9  1.88  12  0.84  molprobity     1  True   
 638   638  ?         147.6   -13.4  Allowed   3   4  1.38   5  0.84  molprobity     1  True   
 639   639  t         -83.5   143.1  Favored   9   7  0.91  10  0.36  molprobity     1  True   
 640   640  mt       -112.9   -41.8  Favored  11   8  0.55  11  0.36  molprobity     1  True   
 641   641  ?        -145.1   135.2  Favored   5   5  0.66   7  0.39  molprobity     1  True   
 642   642  t        -120.7   110.5  Favored   9   7  0.80  10  0.73  molprobity     1  True   
 643   643  t         -96.3   125.3  Favored   5   6  0.84   8  0.56  molprobity     1  True   
 644   644  OUTLIER   -96.5   105.5  Favored  11   8  0.82  11  0.55  molprobity     1  True   
 645   645  t         -91.2    86.7  Favored   9   7  0.90  10  0.68  molprobity     1  True   
 646   646  t80      -143.6   139.0  Favored   9  13  0.72  18  0.48  molprobity     ?  False  
 647   647  p-80     -162.1   172.3  Favored   7  11  0.78  15  0.42  molprobity     ?  False  
 648   648  mm-40    -100.8   166.5  Favored   8   9  0.78  12  0.36  molprobity     ?  False  
 649   649  pt20     -137.9   129.8  Favored   8   9  0.50  12  0.56  molprobity     ?  False  
 650   650  tp10     -133.1   -51.4  Allowed   6   9  0.48  12  0.72  molprobity     ?  False  
 651   651  mt-10     -89.9   -17.0  Favored   6   9  0.97  12  0.45  molprobity     ?  False  
 652   652  mt-30    -129.4   137.5  Favored   8   9  0.81  12  0.54  molprobity     ?  False  
 653   653  ?          80.3   -82.3  Allowed   3   4  0.83   5  0.33  molprobity     ?  False  
 654   654  tp10      -97.7    74.7  Favored   6   9  0.77  12  0.89  molprobity     ?  False  
 655   655  mt-10     -83.5   124.5  Favored   6   9  1.08  12  0.51  molprobity     ?  False  
 656   656  m        -123.9    89.1  Favored   7   7  0.88  11  0.59  molprobity     ?  False  
 657   657  Cg_exo    -73.1   -38.1  Favored   7   8  0.52  11  0.39  molprobity     ?  False  
 658   658  mtp180    -79.5    88.8  Favored  13  11  0.66  14  0.74  molprobity     ?  False  
 659   659  m         -77.4  -178.8  Favored   5   6  0.98   8  0.61  molprobity     ?  False  
 660   660  m80       -63.1   137.8  Favored   7  11  0.47  15  0.32  molprobity     ?  False  
 661   661  m-70      -82.2   -58.5  Favored   7  11  0.48  15  0.75  molprobity     ?  False  
 662   662  m-70      -81.8    86.3  Favored   7  11  0.73  15  0.51  molprobity     ?  False  
 663   663  t60       -92.0   100.3  Favored   7  11  0.60  15  0.57  molprobity     ?  False  
 664   664  m-70     -130.6    19.1  Favored   7  11  0.55  15  0.51  molprobity     ?  False  
 665   665  t-80          ?       ?  ?         7  11  0.70  12  0.57  molprobity     ?  False  
 666   666  OUTLIER       ?       ?  ?        11   8  0.86  10  1.39  molprobity     ?  False  
 667   667  m80       -71.2    98.9  Allowed   7  11  0.58  15  0.45  molprobity     ?  False  
 668   668  p         -73.7    97.8  Favored   7   7  0.84  10  0.44  molprobity     ?  False  
 669   669  m120     -100.8    77.8  Allowed   6   8  1.03  11  1.24  molprobity     ?  False  
 670   670  OUTLIER   -54.5   157.4  Favored  10  16  1.14  23  1.00  molprobity     ?  False  
 671   671  pt20     -103.9   127.0  Favored   8   9  0.94  12  0.53  molprobity     1  True   
 672   672  m        -104.5   156.9  Favored   9   7  0.79  10  0.48  molprobity     1  True   
 673   673  p        -141.8   127.7  Favored   5   6  0.92   8  0.27  molprobity     1  True   
 674   674  t         -86.9   135.9  Favored   5   6  1.26   8  0.71  molprobity     1  True   
 675   675  mt       -119.9   135.9  Favored  11   8  0.93  11  0.44  molprobity     1  True   
 676   676  t        -104.8   104.5  Favored   9   7  0.99  10  0.66  molprobity     1  True   
 677   677  t         -96.4   109.2  Favored   9   7  0.88  10  0.44  molprobity     1  True   
 678   678  tt0       -88.8   113.0  Favored   8   9  0.93  12  0.63  molprobity     1  True   
 679   679  ?        -138.8   173.4  Favored   5   5  0.90   7  0.61  molprobity     1  True   
 680   680  mptp?     -58.3   116.7  Favored  13   9  0.49  11  0.71  molprobity     1  True   
 681   681  p         -63.9   -28.6  Favored   5   6  0.67   8  0.72  molprobity     1  True   
 682   682  pt-20     -78.6   -14.7  Favored   6   9  1.02  12  0.62  molprobity     1  True   
 683   683  ttt180   -118.9    15.8  Favored  13  11  0.70  14  0.88  molprobity     1  True   
 684   684  mm        -56.9   -46.6  Favored  11   8  0.50  11  0.41  molprobity     1  True   
 685   685  m         -61.9   -31.8  Favored   5   6  0.52   8  0.41  molprobity     1  True   
 686   686  m-20      -72.8   -54.8  Favored   4   8  0.42  11  0.89  molprobity     1  True   
 687   687  mt        -62.0   -47.1  Favored  11   8  0.46  11  0.40  molprobity     1  True   
 688   688  t         -62.2   -37.6  Favored   5   6  0.60   8  0.31  molprobity     1  True   
 689   689  m         -73.6   -33.9  Favored   7   7  0.47  10  0.76  molprobity     1  True   
 690   690  mt-30     -65.8   -44.8  Favored   8   9  0.68  12  0.42  molprobity     1  True   
 691   691  mt        -64.4   -44.0  Favored  11   8  0.63  11  0.33  molprobity     1  True   
 692   692  m-20      -65.7   -12.8  Favored   6   8  0.68  11  0.31  molprobity     1  True   
 693   693  ?         -81.1   -26.2  Favored   5   5  0.48   7  0.20  molprobity     1  True   
 694   694  m-85      -71.6   149.7  Favored   9  12  0.75  17  0.49  molprobity     1  True   
 695   695  Cg_exo    -60.5   106.8  Allowed   7   8  0.21  11  0.45  molprobity     1  True   
 696   696  ?          84.9     0.9  Favored   3   4  0.89   5  0.27  molprobity     1  True   
 697   697  t         -92.4   119.8  Favored   5   6  1.06   8  0.69  molprobity     1  True   
 698   698  tt0      -141.4   132.8  Favored   6   9  0.89  12  0.69  molprobity     1  True   
 699   699  t         -77.8   131.7  Favored   9   7  0.68  10  0.56  molprobity     1  True   
 700   700  ?        -101.1   -74.1  Allowed   5   5  0.78   7  0.41  molprobity     1  True   
 701   701  t         -96.8   133.3  Favored   9   7  0.77  10  0.43  molprobity     1  True   
 702   702  m        -124.7   114.7  Favored   5   6  0.86   8  0.38  molprobity     1  True   
 703   703  m-20     -106.8    91.6  Favored   4   8  0.81  11  0.83  molprobity     1  True   
 704   704  ?         -58.3   -39.5  Favored   5   5  1.33   8  0.72  molprobity     1  True   
 705   705  Cg_endo   -53.9   -39.9  Favored   7   8  0.75  11  0.91  molprobity     1  True   
 706   706  m         -93.8   -30.8  Favored   5   6  0.53   8  0.72  molprobity     1  True   
 707   707  ?          86.3    25.3  Favored   3   4  0.96   5  0.82  molprobity     1  True   
 708   708  tt0      -100.7   134.0  Favored   8   9  0.89  12  0.43  molprobity     1  True   
 709   709  mt       -125.8   120.0  Favored  11   8  0.70  11  0.36  molprobity     1  True   
 710   710  mm        -89.9   117.7  Favored  11   8  1.02  11  0.62  molprobity     1  True   
 711   711  t        -115.1   139.9  Favored   9   7  1.11  10  0.46  molprobity     1  True   
 712   712  t        -119.1   116.8  Favored   9   7  1.02  10  0.69  molprobity     1  True   
 713   713  t         -99.5   124.3  Favored   9   7  1.04  10  0.79  molprobity     1  True   
 714   714  mt-10    -108.6   121.6  Favored   6   9  0.90  12  0.72  molprobity     1  True   
 715   715  ?        -151.1   151.0  Favored   5   5  0.80   7  0.63  molprobity     1  True   
 716   716  tp10      -80.4   -40.1  Favored   6   9  0.54  12  0.50  molprobity     1  True   
 717   717  m-20     -103.8   151.4  Favored   4   8  0.74  11  0.83  molprobity     1  True   
 718   718  m         -60.4   -41.9  Favored   5   6  0.45   8  0.82  molprobity     1  True   
 719   719  pt-20     -67.9   -39.9  Favored   6   9  0.83  12  0.50  molprobity     1  True   
 720   720  m         -66.8   -34.1  Favored   7   7  0.72  10  0.69  molprobity     1  True   
 721   721  tp        -67.5   -50.0  Favored  11   8  0.46  11  0.38  molprobity     1  True   
 722   722  mt        -56.8   -46.5  Favored  11   8  0.58  11  0.61  molprobity     1  True   
 723   723  tp60      -57.5   -42.9  Favored   8   9  0.78  12  0.74  molprobity     1  True   
 724   724  m         -73.5   -33.9  Favored   7   7  0.73  10  0.52  molprobity     1  True   
 725   725  mt        -63.9   -45.9  Favored  11   8  0.43  11  0.44  molprobity     1  True   
 726   726  mt-10     -64.5   -33.7  Favored   6   9  0.42  12  0.83  molprobity     1  True   
 727   727  m         -57.7   -41.7  Favored   5   6  0.76   8  0.63  molprobity     1  True   
 728   728  t         -63.7   -37.1  Favored   9   7  0.40  10  0.64  molprobity     1  True   
 729   729  mtm180    -74.8   -11.5  Favored  13  11  0.51  14  0.55  molprobity     1  True   
 730   730  m-80      -86.0     2.5  Favored   6   8  0.63  11  0.27  molprobity     1  True   
 731   731  t         -87.8   135.2  Favored   9   7  0.64  10  0.74  molprobity     1  True   
 732   732  mm-40     -67.4   -36.2  Favored   6   9  1.11  12  0.96  molprobity     1  True   
 733   733  ?         -77.4    -2.6  Favored   3   4  0.86   5  0.37  molprobity     1  True   
 734   734  t         -83.2   125.5  Favored   9   7  0.60  10  0.48  molprobity     1  True   
 735   735  mt        -91.8   -56.6  Favored  11   8  0.45  11  0.41  molprobity     1  True   
 736   736  ?        -142.3   118.6  Favored   5   5  0.96   7  0.39  molprobity     1  True   
 737   737  p        -114.2   110.1  Favored   9   7  0.85  10  0.71  molprobity     1  True   
 738   738  m         -92.8   140.0  Favored   5   6  0.94   8  0.62  molprobity     1  True   
 739   739  tt        -98.9   109.4  Favored  11   8  0.82  11  0.72  molprobity     1  True   
 740   740  t         -88.4   -39.6  Favored   9   7  0.51  10  0.84  molprobity     1  True   
 741   741  t80        65.0   -88.6  OUTLIER   9  13  0.63  18  0.61  molprobity     ?  False  
 742   742  t-80     -161.3    98.5  Allowed   7  11  0.86  15  0.53  molprobity     ?  False  
 743   743  mt-30     -87.6    91.9  Favored   8   9  0.86  12  0.76  molprobity     ?  False  
 744   744  OUTLIER   -76.9   147.3  Favored   8   9  0.95  12  0.80  molprobity     ?  False  
 745   745  tt0        67.3    96.9  Allowed   6   9  0.72  12  0.67  molprobity     ?  False  
 746   746  tt0       -73.4   -47.5  Favored   6   9  0.98  12  0.80  molprobity     ?  False  
 747   747  pt20     -161.4   147.9  Favored   8   9  0.57  12  0.47  molprobity     ?  False  
 748   748  ?         -84.0   139.3  Favored   3   4  1.19   5  0.82  molprobity     ?  False  
 749   749  tt0      -135.9   136.1  Favored   6   9  0.60  12  0.58  molprobity     ?  False  
 750   750  tt0      -137.8   149.1  Favored   6   9  1.07  12  0.70  molprobity     ?  False  
 751   751  m        -129.9   123.2  Favored   7   7  1.22  11  0.75  molprobity     ?  False  
 752   752  Cg_endo   -73.3   147.3  Favored   7   8  1.34  11  0.44  molprobity     ?  False  
 753   753  mtp180    -79.4    96.8  Favored  13  11  0.85  14  0.67  molprobity     ?  False  
 754   754  m        -101.1   121.5  Favored   5   6  1.07   8  0.40  molprobity     ?  False  
 755   755  m-70      -94.9   -32.0  Favored   7  11  0.41  15  0.35  molprobity     ?  False  
 756   756  t-80      -80.1   -29.1  Favored   7  11  0.41  15  0.44  molprobity     ?  False  
 757   757  m-70     -111.6    96.8  Favored   7  11  0.69  15  0.42  molprobity     ?  False  
 758   758  p80       -94.8   164.6  Favored   7  11  0.73  15  0.58  molprobity     ?  False  
 759   759  m-70      -74.9   157.2  Favored   7  11  0.86  15  0.37  molprobity     ?  False  
 760   760  m80           ?       ?  ?         7  11  0.56  12  0.32  molprobity     ?  False  
 761   761  ttt           ?       ?  ?        11   8  0.52  10  0.36  molprobity     ?  False  
 762   762  t-80     -130.0   118.2  Favored   7  11  0.68  15  0.40  molprobity     ?  False  
 763   763  m         -70.7   114.9  Favored   7   7  0.78  10  0.47  molprobity     ?  False  
 764   764  m-80      -97.7    77.2  Favored   6   8  1.20  11  0.88  molprobity     ?  False  
 765   765  OUTLIER  -105.8   175.3  Favored  10  16  0.93  23  0.54  molprobity     ?  False  
 766   766  pt20     -110.6   121.4  Favored   8   9  0.95  12  0.59  molprobity     1  True   
 767   767  m         -96.0   125.2  Favored   9   7  1.04  10  0.53  molprobity     1  True   
 768   768  t        -122.1   139.7  Favored   5   6  1.01   8  0.38  molprobity     1  True   
 769   769  t        -104.2   149.7  Favored   5   6  1.43   8  0.72  molprobity     1  True   
 770   770  mt       -128.9   129.3  Favored  11   8  0.99  11  0.52  molprobity     1  True   
 771   771  t         -97.5   102.2  Favored   9   7  1.04  10  0.75  molprobity     1  True   
 772   772  t         -99.1   114.5  Favored   9   7  0.90  10  0.44  molprobity     1  True   
 773   773  mt-30     -88.0   123.1  Favored   8   9  1.11  12  0.59  molprobity     1  True   
 774   774  ?        -145.4   168.7  Favored   5   5  0.92   7  0.41  molprobity     1  True   
 775   775  OUTLIER   -59.3   115.4  Favored  13   9  0.68  11  0.88  molprobity     1  True   
 776   776  m         -64.7   -26.8  Favored   5   6  0.92   8  1.14  molprobity     1  True   
 777   777  pt-20     -86.1   -10.7  Favored   6   9  0.88  12  0.56  molprobity     1  True   
 778   778  ttt180   -113.1    15.3  Favored  13  11  0.56  14  0.61  molprobity     1  True   
 779   779  mt        -62.0   -35.5  Favored  11   8  0.75  11  0.72  molprobity     1  True   
 780   780  m         -68.2   -39.0  Favored   5   6  0.82   8  0.94  molprobity     1  True   
 781   781  t70       -61.6   -52.5  Favored   4   8  0.59  11  0.93  molprobity     1  True   
 782   782  mt        -68.3   -38.6  Favored  11   8  0.36  11  0.51  molprobity     1  True   
 783   783  t         -63.6   -32.6  Favored   5   6  0.65   8  0.31  molprobity     1  True   
 784   784  m         -71.5   -39.5  Favored   7   7  0.55  10  0.71  molprobity     1  True   
 785   785  mp0       -59.4   -53.3  Favored   8   9  0.87  12  0.46  molprobity     1  True   
 786   786  mt        -64.1   -34.4  Favored  11   8  0.42  11  0.32  molprobity     1  True   
 787   787  t-20      -70.1   -18.5  Favored   6   8  0.55  11  0.47  molprobity     1  True   
 788   788  ?         -92.4    -1.9  Favored   5   5  0.46   7  0.48  molprobity     1  True   
 789   789  m-85      -89.2   147.1  Favored   9  12  0.90  17  0.57  molprobity     1  True   
 790   790  Cg_exo    -61.6   109.0  Allowed   7   8  0.27  11  0.45  molprobity     1  True   
 791   791  ?          83.0     5.0  Favored   3   4  0.71   5  0.32  molprobity     1  True   
 792   792  t        -112.0   126.3  Favored   5   6  0.93   8  0.83  molprobity     1  True   
 793   793  tt0      -145.8   144.8  Favored   6   9  0.67  12  0.51  molprobity     1  True   
 794   794  t         -81.9   126.8  Favored   9   7  0.74  10  0.51  molprobity     1  True   
 795   795  ?         -91.2   -59.3  Favored   5   5  0.68   7  0.42  molprobity     1  True   
 796   796  t        -123.0   125.7  Favored   9   7  0.83  10  0.53  molprobity     1  True   
 797   797  p        -115.9   103.0  Favored   5   6  1.11   8  0.71  molprobity     1  True   
 798   798  t70       -98.5    94.7  Favored   4   8  0.59  11  0.67  molprobity     1  True   
 799   799  ?         -57.0   -47.2  Favored   5   5  1.07   8  0.68  molprobity     1  True   
 800   800  Cg_endo   -53.0   -44.8  Favored   7   8  0.81  11  1.08  molprobity     1  True   
 801   801  m         -90.7   -24.1  Favored   5   6  0.48   8  0.41  molprobity     1  True   
 802   802  ?          90.7    25.1  Favored   3   4  0.98   5  0.45  molprobity     1  True   
 803   803  mt-30    -102.9   125.2  Favored   8   9  1.26  12  0.63  molprobity     1  True   
 804   804  mt       -114.6   111.8  Favored  11   8  0.94  11  0.40  molprobity     1  True   
 805   805  mm        -89.3   117.6  Favored  11   8  1.10  11  0.56  molprobity     1  True   
 806   806  t        -116.4   136.5  Favored   9   7  1.18  10  0.51  molprobity     1  True   
 807   807  t        -113.8   126.8  Favored   9   7  1.09  10  0.63  molprobity     1  True   
 808   808  t        -125.7   111.3  Favored   9   7  1.05  10  0.73  molprobity     1  True   
 809   809  OUTLIER  -110.5   122.4  Favored   6   9  1.29  12  0.97  molprobity     1  True   
 810   810  ?        -135.7   153.2  Favored   5   5  1.40   7  0.60  molprobity     1  True   
 811   811  tt0       -81.2   -51.5  Favored   6   9  0.94  12  0.65  molprobity     1  True   
 812   812  m-20      -89.7   149.8  Favored   4   8  0.44  11  0.79  molprobity     1  True   
 813   813  t         -55.8   -47.7  Favored   5   6  0.80   8  0.47  molprobity     1  True   
 814   814  tt0       -65.4   -40.6  Favored   6   9  0.88  12  0.58  molprobity     1  True   
 815   815  m         -62.1   -37.9  Favored   7   7  0.58  10  0.58  molprobity     1  True   
 816   816  tp        -66.9   -50.3  Favored  11   8  0.37  11  0.42  molprobity     1  True   
 817   817  mt        -54.4   -54.5  Favored  11   8  0.47  11  0.48  molprobity     1  True   
 818   818  mm100     -61.6   -38.0  Favored   8   9  0.44  12  0.46  molprobity     1  True   
 819   819  m         -72.1   -39.0  Favored   7   7  0.52  10  0.47  molprobity     1  True   
 820   820  mt        -64.0   -37.6  Favored  11   8  0.46  11  0.47  molprobity     1  True   
 821   821  tt0       -65.6   -34.5  Favored   6   9  1.11  12  0.58  molprobity     1  True   
 822   822  m         -57.3   -42.6  Favored   5   6  0.76   8  0.85  molprobity     1  True   
 823   823  t         -62.7   -40.2  Favored   9   7  0.38  10  0.65  molprobity     1  True   
 824   824  mtm180    -71.5   -20.5  Favored  13  11  0.86  14  0.62  molprobity     1  True   
 825   825  m-20      -90.1    13.9  Favored   6   8  0.57  11  0.32  molprobity     1  True   
 826   826  t         -88.4   138.2  Favored   9   7  0.61  10  0.79  molprobity     1  True   
 827   827  mm-40     -58.6   -55.6  Favored   6   9  0.91  12  0.76  molprobity     1  True   
 828   828  ?         -79.5     6.8  Favored   3   4  0.76   5  0.33  molprobity     1  True   
 829   829  t         -79.5   135.9  Favored   9   7  0.56  10  0.54  molprobity     1  True   
 830   830  mt        -98.9   -57.7  Favored  11   8  0.65  11  0.40  molprobity     1  True   
 831   831  ?        -146.8   130.8  Favored   5   5  1.08   7  0.44  molprobity     1  True   
 832   832  t        -108.2   116.1  Favored   9   7  0.69  10  0.57  molprobity     1  True   
 833   833  t        -101.1   128.2  Favored   5   6  0.73   8  0.41  molprobity     1  True   
 834   834  tt        -86.4   120.0  Favored  11   8  0.75  11  0.77  molprobity     1  True   
 835   835  t        -111.9    88.0  Allowed   9   7  0.99  10  0.84  molprobity     1  True   
 836   836  t80      -150.9   -72.3  Allowed   9  13  0.62  18  0.83  molprobity     ?  False  
 837   837  m-70     -157.2   151.9  Favored   7  11  0.84  15  1.09  molprobity     ?  False  
 838   838  OUTLIER   -77.3   -42.2  Favored   8   9  0.79  12  0.79  molprobity     ?  False  
 839   839  mm-40    -125.9   -16.1  Favored   8   9  0.52  12  0.42  molprobity     ?  False  
 840   840  mm-40     -88.9    76.3  Favored   6   9  0.93  12  0.65  molprobity     ?  False  
 841   841  pt-20     -80.6   -39.7  Favored   6   9  0.80  12  0.55  molprobity     ?  False  
 842   842  mt-30     -83.8   -41.9  Favored   8   9  0.50  12  0.53  molprobity     ?  False  
 843   843  ?         142.9  -161.5  Favored   3   4  1.31   5  0.77  molprobity     ?  False  
 844   844  mt-10    -111.5   -12.3  Favored   6   9  0.50  12  0.79  molprobity     ?  False  
 845   845  mp0       -61.2   133.8  Favored   6   9  0.98  12  0.81  molprobity     ?  False  
 846   846  t        -138.2   106.0  Favored   7   7  1.00  11  0.71  molprobity     ?  False  
 847   847  Cg_endo   -86.0   176.5  Favored   7   8  0.75  11  0.21  molprobity     ?  False  
 848   848  mtt180    -80.7   -82.4  Allowed  13  11  0.43  14  0.44  molprobity     ?  False  
 849   849  m        -128.8    24.6  Favored   5   6  0.64   8  0.70  molprobity     ?  False  
 850   850  p80      -129.3    98.7  Favored   7  11  0.91  15  0.44  molprobity     ?  False  
 851   851  p-80      -77.1   131.9  Favored   7  11  0.66  15  0.63  molprobity     ?  False  
 852   852  m80       -89.8   106.6  Favored   7  11  0.76  15  0.42  molprobity     ?  False  
 853   853  p80      -105.7   171.2  Favored   7  11  0.83  15  0.53  molprobity     ?  False  
 854   854  p-80     -102.5   175.5  Favored   7  11  0.74  15  0.40  molprobity     ?  False  
 855   855  m80           ?       ?  ?         7  11  0.65  12  0.48  molprobity     ?  False  
 856   856  mtt           ?       ?  ?        11   8  0.45  10  0.33  molprobity     ?  False  
 857   857  m80       -81.3    94.0  Favored   7  11  0.58  15  0.43  molprobity     ?  False  
 858   858  p         -86.3   146.4  Favored   7   7  1.04  10  0.46  molprobity     ?  False  
 859   859  m120      -91.9   122.0  Favored   6   8  1.04  11  0.48  molprobity     ?  False  
 860   860  OUTLIER  -130.0   146.1  Favored  10  16  0.81  23  0.65  molprobity     ?  False  
 861   861  pp0?      -91.3   143.0  Favored   8   9  0.81  12  0.86  molprobity     1  True   
 862   862  m        -110.1   146.7  Favored   9   7  1.09  10  0.56  molprobity     1  True   
 863   863  p        -141.8   139.3  Favored   5   6  0.89   8  0.26  molprobity     1  True   
 864   864  t         -90.1   124.9  Favored   5   6  1.54   8  0.58  molprobity     1  True   
 865   865  mt       -104.1   129.7  Favored  11   8  1.32  11  0.55  molprobity     1  True   
 866   866  t         -98.5   101.8  Favored   9   7  1.13  10  0.73  molprobity     1  True   
 867   867  t         -98.7   111.8  Favored   9   7  0.91  10  0.39  molprobity     1  True   
 868   868  tt0       -89.0   117.4  Favored   8   9  1.04  12  0.57  molprobity     1  True   
 869   869  ?        -135.2   173.5  Favored   5   5  0.92   7  0.45  molprobity     1  True   
 870   870  mptp?     -59.3   117.2  Favored  13   9  0.42  11  0.85  molprobity     1  True   
 871   871  t         -55.9   -37.1  Favored   5   6  0.59   8  0.46  molprobity     1  True   
 872   872  pt-20     -71.3   -20.5  Favored   6   9  0.98  12  0.55  molprobity     1  True   
 873   873  ttm180   -114.5    10.7  Favored  13  11  0.68  14  0.78  molprobity     1  True   
 874   874  mm        -47.8   -49.6  Favored  11   8  0.57  11  0.56  molprobity     1  True   
 875   875  m         -62.4   -35.9  Favored   5   6  0.64   8  0.55  molprobity     1  True   
 876   876  m-20      -74.8   -40.1  Favored   4   8  0.62  11  0.81  molprobity     1  True   
 877   877  mt        -70.7   -42.4  Favored  11   8  0.40  11  0.40  molprobity     1  True   
 878   878  p         -62.7   -48.7  Favored   5   6  0.38   8  0.37  molprobity     1  True   
 879   879  m         -61.5   -36.1  Favored   7   7  0.61  10  0.54  molprobity     1  True   
 880   880  tt0       -65.8   -48.7  Favored   8   9  1.05  12  0.46  molprobity     1  True   
 881   881  mt        -63.5   -33.1  Favored  11   8  0.72  11  0.30  molprobity     1  True   
 882   882  m-20      -68.2   -15.3  Favored   6   8  0.71  11  0.35  molprobity     1  True   
 883   883  ?         -94.5    -1.1  Favored   5   5  0.71   7  0.37  molprobity     1  True   
 884   884  m-85      -81.6   153.6  Favored   9  12  0.75  17  0.45  molprobity     1  True   
 885   885  Cg_exo    -69.4    97.9  Allowed   7   8  0.63  11  0.52  molprobity     1  True   
 886   886  ?          86.5    30.5  Favored   3   4  1.07   5  0.19  molprobity     1  True   
 887   887  m        -122.6   124.2  Favored   5   6  1.01   8  0.46  molprobity     1  True   
 888   888  tt0      -128.3   122.3  Favored   6   9  0.74  12  0.56  molprobity     1  True   
 889   889  t         -78.7   102.8  Favored   9   7  0.84  10  0.66  molprobity     1  True   
 890   890  ?         -78.0   -46.4  Favored   5   5  0.89   7  0.33  molprobity     1  True   
 891   891  t        -136.5   124.8  Favored   9   7  0.81  10  0.71  molprobity     1  True   
 892   892  m        -103.2   132.0  Favored   5   6  0.93   8  0.51  molprobity     1  True   
 893   893  t70      -126.0    91.0  Favored   4   8  0.57  11  0.64  molprobity     1  True   
 894   894  ?         -59.0   -41.6  Favored   5   5  1.20   8  0.78  molprobity     1  True   
 895   895  Cg_endo   -46.1   -44.6  Favored   7   8  0.79  11  0.94  molprobity     1  True   
 896   896  p         -94.9   -28.6  Favored   5   6  0.54   8  0.43  molprobity     1  True   
 897   897  ?          91.4    22.3  Favored   3   4  1.08   5  0.59  molprobity     1  True   
 898   898  mt-30    -102.2   137.4  Favored   8   9  1.06  12  0.46  molprobity     1  True   
 899   899  mt       -115.0   124.8  Favored  11   8  0.84  11  0.47  molprobity     1  True   
 900   900  mm        -89.8   117.0  Favored  11   8  0.87  11  0.59  molprobity     1  True   
 901   901  t        -119.8   125.2  Favored   9   7  1.01  10  0.41  molprobity     1  True   
 902   902  t         -93.3   114.7  Favored   9   7  0.92  10  0.60  molprobity     1  True   
 903   903  t        -115.3   124.5  Favored   9   7  0.95  10  0.57  molprobity     1  True   
 904   904  OUTLIER  -117.1   140.1  Favored   6   9  1.08  12  0.98  molprobity     1  True   
 905   905  ?        -145.1   154.8  Favored   5   5  1.02   7  0.50  molprobity     1  True   
 906   906  mt-10     -69.0   -73.1  Allowed   6   9  0.78  12  0.61  molprobity     1  True   
 907   907  m-20     -102.0   176.9  Favored   4   8  0.67  11  0.64  molprobity     1  True   
 908   908  m         -71.0   -39.9  Favored   5   6  0.55   8  0.27  molprobity     1  True   
 909   909  pt-20     -62.9   -40.5  Favored   6   9  0.43  12  0.62  molprobity     1  True   
 910   910  p         -67.1   -29.6  Favored   7   7  0.52  10  0.47  molprobity     1  True   
 911   911  tp        -68.9   -46.5  Favored  11   8  0.28  11  0.42  molprobity     1  True   
 912   912  mt        -54.1   -51.3  Favored  11   8  0.40  11  0.62  molprobity     1  True   
 913   913  mt-30     -58.7   -42.8  Favored   8   9  0.53  12  0.31  molprobity     1  True   
 914   914  m         -63.0   -43.7  Favored   7   7  0.53  10  0.63  molprobity     1  True   
 915   915  mt        -62.4   -41.0  Favored  11   8  0.31  11  0.34  molprobity     1  True   
 916   916  mt-10     -60.7   -42.3  Favored   6   9  0.38  12  0.46  molprobity     1  True   
 917   917  t         -64.9   -40.0  Favored   5   6  0.76   8  0.34  molprobity     1  True   
 918   918  t         -63.0   -39.3  Favored   9   7  0.63  10  0.57  molprobity     1  True   
 919   919  mtp180    -70.6    -9.2  Favored  13  11  0.57  14  0.72  molprobity     1  True   
 920   920  m-80      -90.6     8.1  Favored   6   8  0.46  11  0.35  molprobity     1  True   
 921   921  t         -87.4   135.0  Favored   9   7  1.08  10  1.22  molprobity     1  True   
 922   922  tt0       -49.2   -57.9  Favored   6   9  1.17  12  0.81  molprobity     1  True   
 923   923  ?         -77.2     4.2  Favored   3   4  0.58   5  0.59  molprobity     1  True   
 924   924  t         -90.6   138.8  Favored   9   7  0.56  10  0.42  molprobity     1  True   
 925   925  mt       -108.1   -56.5  Favored  11   8  0.55  11  0.44  molprobity     1  True   
 926   926  ?        -135.5   130.8  Favored   5   5  1.19   7  0.27  molprobity     1  True   
 927   927  t        -108.3   109.4  Favored   9   7  1.01  10  0.65  molprobity     1  True   
 928   928  m        -101.6   120.1  Favored   5   6  0.91   8  0.67  molprobity     1  True   
 929   929  OUTLIER   -85.3   142.6  Favored  11   8  0.49  11  0.47  molprobity     1  True   
 930   930  p         -67.2   -20.1  Favored   9   7  0.82  10  0.75  molprobity     1  True   
 931   931  t80      -151.0   131.8  Favored   9  13  0.75  18  0.48  molprobity     ?  False  
 932   932  t-80      -82.0   123.4  Favored   7  11  0.64  15  0.39  molprobity     ?  False  
 933   933  pt20      -70.8  -175.2  Allowed   8   9  0.65  12  0.47  molprobity     ?  False  
 934   934  pt20     -128.1   171.9  Favored   8   9  0.65  12  0.60  molprobity     ?  False  
 935   935  mm-40     -80.8    69.8  Favored   6   9  0.69  12  0.63  molprobity     ?  False  
 936   936  tt0       -65.9   -41.0  Favored   6   9  0.89  12  0.79  molprobity     ?  False  
 937   937  mm100    -113.1    89.0  Favored   8   9  0.86  12  0.76  molprobity     ?  False  
 938   938  ?         -90.3   160.0  Favored   3   4  1.38   5  0.83  molprobity     ?  False  
 939   939  mt-10      66.9    23.3  Favored   6   9  0.45  12  0.75  molprobity     ?  False  
 940   940  mm-40     -72.8   -29.0  Favored   6   9  0.57  12  0.77  molprobity     ?  False  
 941   941  t        -118.6    91.7  Favored   7   7  1.22  11  0.87  molprobity     ?  False  
 942   942  Cg_endo   -79.5   169.2  Favored   7   8  0.44  11  0.25  molprobity     ?  False  
 943   943  ptm180    -76.8   -29.7  Favored  13  11  0.68  14  0.61  molprobity     ?  False  
 944   944  t         -86.9   111.0  Favored   5   6  1.11   8  0.78  molprobity     ?  False  
 945   945  m80       -77.6   -20.6  Favored   7  11  0.55  15  0.31  molprobity     ?  False  
 946   946  m-70      -88.3   143.7  Favored   7  11  0.70  15  0.46  molprobity     ?  False  
 947   947  m-70      -79.2   156.7  Favored   7  11  0.69  15  0.78  molprobity     ?  False  
 948   948  t-80      -71.8   -32.1  Favored   7  11  0.53  15  0.75  molprobity     ?  False  
 949   949  m170      -86.0   134.6  Favored   7  11  0.67  15  0.40  molprobity     ?  False  
 950   950  p80           ?       ?  ?         7  11  0.70  12  0.66  molprobity     ?  False  
 951   951  mtt           ?       ?  ?        11   8  0.57  10  0.46  molprobity     ?  False  
 952   952  t-80      -90.2   -63.2  Allowed   7  11  0.48  15  0.61  molprobity     ?  False  
 953   953  p          59.2   151.1  OUTLIER   7   7  0.90  10  1.07  molprobity     ?  False  
 954   954  m120       74.3   132.5  OUTLIER   6   8  0.89  11  0.52  molprobity     ?  False  
 955   955  p-90      -69.3   143.2  Favored  10  16  1.03  23  0.55  molprobity     ?  False  
 956   956  pt20     -117.8   147.4  Favored   8   9  0.90  12  0.63  molprobity     1  True   
 957   957  m        -114.6   160.9  Favored   9   7  1.03  10  0.83  molprobity     1  True   
 958   958  m        -144.9   126.9  Favored   5   6  0.94   8  0.60  molprobity     1  True   
 959   959  t         -84.0   137.0  Favored   5   6  1.36   8  0.58  molprobity     1  True   
 960   960  mt       -123.8   121.8  Favored  11   8  1.07  11  0.48  molprobity     1  True   
 961   961  t         -90.9   102.4  Favored   9   7  1.10  10  0.80  molprobity     1  True   
 962   962  t         -94.1   114.3  Favored   9   7  1.04  10  0.49  molprobity     1  True   
 963   963  tt0       -87.3   118.0  Favored   8   9  0.91  12  0.58  molprobity     1  True   
 964   964  ?        -136.3   171.9  Favored   5   5  0.76   7  0.42  molprobity     1  True   
 965   965  mptp?     -63.1   121.4  Favored  13   9  0.38  11  0.88  molprobity     1  True   
 966   966  m         -61.4   -32.5  Favored   5   6  0.69   8  0.72  molprobity     1  True   
 967   967  pt-20     -86.5     0.1  Favored   6   9  1.10  12  0.50  molprobity     1  True   
 968   968  ttt180   -124.1    14.9  Favored  13  11  0.54  14  0.75  molprobity     1  True   
 969   969  mm        -59.4   -44.5  Favored  11   8  0.38  11  0.39  molprobity     1  True   
 970   970  m         -62.3   -32.1  Favored   5   6  0.70   8  0.69  molprobity     1  True   
 971   971  t70       -75.2   -52.4  Favored   4   8  0.44  11  0.83  molprobity     1  True   
 972   972  mt        -66.3   -42.6  Favored  11   8  0.32  11  0.44  molprobity     1  True   
 973   973  m         -62.0   -36.8  Favored   5   6  0.49   8  0.24  molprobity     1  True   
 974   974  m         -74.0   -32.5  Favored   7   7  0.76  10  0.78  molprobity     1  True   
 975   975  mt-30     -72.9   -38.8  Favored   8   9  1.00  12  0.79  molprobity     1  True   
 976   976  mt        -67.8   -37.8  Favored  11   8  0.61  11  0.39  molprobity     1  True   
 977   977  m-20      -72.8    -4.2  Favored   6   8  0.52  11  0.35  molprobity     1  True   
 978   978  ?         -86.4   -22.5  Favored   5   5  0.40   7  0.32  molprobity     1  True   
 979   979  m-85      -75.0   146.5  Favored   9  12  0.77  17  0.50  molprobity     1  True   
 980   980  Cg_exo    -62.4   113.3  Allowed   7   8  0.25  11  0.41  molprobity     1  True   
 981   981  ?          83.1    -1.1  Favored   3   4  0.64   5  0.22  molprobity     1  True   
 982   982  t         -96.7   121.2  Favored   5   6  1.07   8  0.75  molprobity     1  True   
 983   983  tt0      -135.0   138.6  Favored   6   9  0.73  12  0.57  molprobity     1  True   
 984   984  t         -80.3   107.8  Favored   9   7  0.94  10  0.68  molprobity     1  True   
 985   985  ?         -80.9   -42.0  Favored   5   5  0.77   7  0.37  molprobity     1  True   
 986   986  t        -129.1   114.0  Favored   9   7  0.87  10  0.57  molprobity     1  True   
 987   987  p        -109.8   110.9  Favored   5   6  0.88   8  0.50  molprobity     1  True   
 988   988  t70      -114.9    89.4  Favored   4   8  0.45  11  0.73  molprobity     1  True   
 989   989  ?         -57.8   -43.5  Favored   5   5  1.25   8  0.66  molprobity     1  True   
 990   990  Cg_endo   -45.6   -44.5  Favored   7   8  0.68  11  0.98  molprobity     1  True   
 991   991  p         -90.2   -31.4  Favored   5   6  0.61   8  0.24  molprobity     1  True   
 992   992  ?          92.3    24.4  Favored   3   4  0.61   5  0.61  molprobity     1  True   
 993   993  mt-30    -116.0   132.2  Favored   8   9  0.86  12  0.53  molprobity     1  True   
 994   994  mt       -118.6   138.1  Favored  11   8  0.82  11  0.32  molprobity     1  True   
 995   995  mm       -102.0   117.6  Favored  11   8  0.96  11  0.64  molprobity     1  True   
 996   996  t        -109.2   130.9  Favored   9   7  1.00  10  0.57  molprobity     1  True   
 997   997  t        -111.7   114.4  Favored   9   7  1.08  10  0.56  molprobity     1  True   
 998   998  t         -99.8   124.2  Favored   9   7  0.73  10  0.53  molprobity     1  True   
 999   999  mt-10    -105.5   122.5  Favored   6   9  0.73  12  0.67  molprobity     1  True   
1000  1000  ?        -149.4   138.0  Favored   5   5  0.93   7  0.36  molprobity     1  True   
1001  1001  tt0       -79.8   -35.2  Favored   6   9  0.81  12  0.43  molprobity     1  True   
1002  1002  t70      -102.7   148.0  Favored   4   8  0.55  11  0.71  molprobity     1  True   
1003  1003  t         -63.1   -43.1  Favored   5   6  0.68   8  0.58  molprobity     1  True   
1004  1004  mt-10     -71.9   -35.4  Favored   6   9  0.93  12  0.56  molprobity     1  True   
1005  1005  m         -64.2   -32.4  Favored   7   7  0.63  10  0.60  molprobity     1  True   
1006  1006  tp        -69.0   -50.6  Favored  11   8  0.34  11  0.53  molprobity     1  True   
1007  1007  mt        -55.7   -46.9  Favored  11   8  0.47  11  0.55  molprobity     1  True   
1008  1008  tp60      -56.6   -46.9  Favored   8   9  0.81  12  0.57  molprobity     1  True   
1009  1009  m         -72.0   -35.9  Favored   7   7  0.87  10  0.49  molprobity     1  True   
1010  1010  mt        -64.0   -47.1  Favored  11   8  0.47  11  0.34  molprobity     1  True   
1011  1011  mm-40     -63.2   -33.4  Favored   6   9  0.55  12  0.67  molprobity     1  True   
1012  1012  m         -60.2   -44.8  Favored   5   6  0.95   8  0.66  molprobity     1  True   
1013  1013  t         -59.4   -37.6  Favored   9   7  0.41  10  0.69  molprobity     1  True   
1014  1014  mtp180    -75.7   -13.8  Favored  13  11  0.75  14  0.42  molprobity     1  True   
1015  1015  OUTLIER   -88.7    -2.9  Favored   6   8  0.59  11  0.44  molprobity     1  True   
1016  1016  t         -74.3   130.0  Favored   9   7  0.70  10  1.23  molprobity     1  True   
1017  1017  mm-40     -35.6   -64.9  Allowed   6   9  0.71  12  0.91  molprobity     1  True   
1018  1018  ?         -84.4     8.7  Favored   3   4  0.91   5  0.34  molprobity     1  True   
1019  1019  t         -85.2   129.9  Favored   9   7  0.62  10  0.55  molprobity     1  True   
1020  1020  mt       -102.7   -60.6  Allowed  11   8  0.60  11  0.47  molprobity     1  True   
1021  1021  ?        -136.2   125.2  Favored   5   5  0.93   7  0.24  molprobity     1  True   
1022  1022  t        -108.8   114.0  Favored   9   7  0.72  10  0.58  molprobity     1  True   
1023  1023  t         -91.2   115.1  Favored   5   6  0.81   8  0.73  molprobity     1  True   
1024  1024  tt        -87.5   119.8  Favored  11   8  0.54  11  0.79  molprobity     1  True   
1025  1025  p         -55.9   -29.6  Favored   9   7  0.93  10  0.58  molprobity     1  True   
1026  1026  t80      -133.1    94.5  Favored   9  13  0.61  18  0.50  molprobity     ?  False  
1027  1027  t60      -157.4   138.3  Favored   7  11  0.94  15  0.45  molprobity     ?  False  
1028  1028  pt20     -131.8   151.1  Favored   8   9  0.71  12  0.62  molprobity     ?  False  
1029  1029  mp0       -74.5    79.5  Allowed   8   9  0.51  12  0.65  molprobity     ?  False  
1030  1030  mt-10    -102.8   -56.0  Favored   6   9  0.51  12  0.55  molprobity     ?  False  
1031  1031  mt-10     -78.7   -12.6  Favored   6   9  0.92  12  0.61  molprobity     ?  False  
1032  1032  pt20     -150.8    94.8  Favored   8   9  0.72  12  0.62  molprobity     ?  False  
1033  1033  ?        -160.7   -60.8  OUTLIER   3   4  0.91   5  0.47  molprobity     ?  False  
1034  1034  mt-10     -91.7    19.0  Favored   6   9  0.41  12  0.69  molprobity     ?  False  
1035  1035  mm-40     -52.8   117.6  Favored   6   9  1.10  12  0.68  molprobity     ?  False  
1036  1036  m        -105.4    99.0  Favored   7   7  0.83  11  0.55  molprobity     ?  False  
1037  1037  Cg_endo   -87.7   -25.7  Allowed   7   8  0.69  11  0.30  molprobity     ?  False  
1038  1038  mtt180    -97.7   102.4  Favored  13  11  0.72  14  0.49  molprobity     ?  False  
1039  1039  m        -101.8   100.9  Favored   5   6  0.88   8  0.65  molprobity     ?  False  
1040  1040  m-70      -85.5   156.7  Favored   7  11  0.68  15  0.40  molprobity     ?  False  
1041  1041  t-80      -97.5    83.9  Favored   7  11  0.62  15  0.58  molprobity     ?  False  
1042  1042  t-80     -137.6    32.2  Favored   7  11  0.49  15  0.56  molprobity     ?  False  
1043  1043  p80      -159.2   148.0  Favored   7  11  0.73  15  0.56  molprobity     ?  False  
1044  1044  m-70      -94.3   -38.4  Favored   7  11  0.60  15  0.50  molprobity     ?  False  
1045  1045  m-70          ?       ?  ?         7  11  0.67  12  0.62  molprobity     ?  False  
1046  1046  mmt           ?       ?  ?        11   8  0.48  10  0.49  molprobity     ?  False  
1047  1047  m-70      -86.6   100.8  Favored   7  11  0.49  15  0.68  molprobity     ?  False  
1048  1048  p         -74.1   -29.8  Favored   7   7  0.52  10  0.80  molprobity     ?  False  
1049  1049  t-20      -99.3    83.7  Favored   6   8  0.79  11  0.68  molprobity     ?  False  
1050  1050  OUTLIER   -60.7   140.1  Favored  10  16  0.64  23  0.66  molprobity     ?  False  
1051  1051  pt20      -89.9   134.1  Favored   8   9  0.76  12  0.57  molprobity     1  True   
1052  1052  m        -110.6   148.8  Favored   9   7  1.20  10  0.55  molprobity     1  True   
1053  1053  p        -140.9   139.4  Favored   5   6  1.14   8  0.38  molprobity     1  True   
1054  1054  t        -100.7   135.5  Favored   5   6  1.56   8  0.68  molprobity     1  True   
1055  1055  mt       -117.7   123.4  Favored  11   8  1.21  11  0.38  molprobity     1  True   
1056  1056  t         -93.8   101.9  Favored   9   7  1.12  10  0.87  molprobity     1  True   
1057  1057  t         -90.0   111.9  Favored   9   7  1.00  10  0.50  molprobity     1  True   
1058  1058  mt-30     -96.7   110.0  Favored   8   9  0.87  12  0.79  molprobity     1  True   
1059  1059  ?        -137.2   172.9  Favored   5   5  0.61   7  0.61  molprobity     1  True   
1060  1060  mptp?     -57.5   119.9  Favored  13   9  0.51  11  0.82  molprobity     1  True   
1061  1061  t         -58.4   -36.9  Favored   5   6  0.72   8  0.66  molprobity     1  True   
1062  1062  pt-20     -72.3   -21.0  Favored   6   9  0.52  12  0.48  molprobity     1  True   
1063  1063  ttt180   -111.6     6.5  Favored  13  11  0.58  14  0.88  molprobity     1  True   
1064  1064  mm        -49.4   -49.0  Favored  11   8  0.53  11  0.51  molprobity     1  True   
1065  1065  m         -61.6   -33.0  Favored   5   6  0.46   8  0.46  molprobity     1  True   
1066  1066  t70       -79.2   -37.7  Favored   4   8  0.53  11  0.74  molprobity     1  True   
1067  1067  mt        -67.7   -48.1  Favored  11   8  0.34  11  0.39  molprobity     1  True   
1068  1068  p         -58.5   -43.1  Favored   5   6  0.48   8  0.46  molprobity     1  True   
1069  1069  m         -64.3   -41.2  Favored   7   7  0.60  10  0.34  molprobity     1  True   
1070  1070  tt0       -63.7   -43.2  Favored   8   9  0.95  12  0.42  molprobity     1  True   
1071  1071  mt        -62.6   -43.7  Favored  11   8  0.51  11  0.54  molprobity     1  True   
1072  1072  t-20      -61.0   -22.1  Favored   6   8  0.67  11  0.59  molprobity     1  True   
1073  1073  ?         -84.0   -12.2  Favored   5   5  0.44   7  0.45  molprobity     1  True   
1074  1074  m-85      -81.8   146.4  Favored   9  12  0.77  17  0.46  molprobity     1  True   
1075  1075  Cg_exo    -66.0   101.6  Allowed   7   8  0.47  11  0.51  molprobity     1  True   
1076  1076  ?          98.7     4.5  Favored   3   4  1.00   5  0.56  molprobity     1  True   
1077  1077  t        -111.7   113.5  Favored   5   6  1.13   8  0.99  molprobity     1  True   
1078  1078  tt0      -136.4   149.9  Favored   6   9  0.67  12  0.45  molprobity     1  True   
1079  1079  t         -88.3   142.2  Favored   9   7  0.71  10  0.39  molprobity     1  True   
1080  1080  ?        -112.7   -66.7  Allowed   5   5  0.59   7  0.31  molprobity     1  True   
1081  1081  t        -113.0   122.4  Favored   9   7  0.77  10  0.42  molprobity     1  True   
1082  1082  m        -111.5   129.3  Favored   5   6  0.70   8  0.23  molprobity     1  True   
1083  1083  t70      -132.4    90.7  Favored   4   8  0.46  11  0.65  molprobity     1  True   
1084  1084  ?         -57.6   -43.6  Favored   5   5  1.18   8  0.70  molprobity     1  True   
1085  1085  Cg_endo   -50.9   -44.1  Favored   7   8  0.76  11  0.93  molprobity     1  True   
1086  1086  m         -90.8   -22.3  Favored   5   6  0.41   8  0.50  molprobity     1  True   
1087  1087  ?          84.2    25.4  Favored   3   4  0.86   5  0.58  molprobity     1  True   
1088  1088  mt-30    -107.6   128.1  Favored   8   9  0.98  12  0.43  molprobity     1  True   
1089  1089  mt       -122.5   126.9  Favored  11   8  0.68  11  0.37  molprobity     1  True   
1090  1090  mm        -89.7   118.1  Favored  11   8  0.96  11  0.64  molprobity     1  True   
1091  1091  t        -117.6   131.8  Favored   9   7  1.04  10  0.44  molprobity     1  True   
1092  1092  t        -103.5   118.4  Favored   9   7  1.04  10  0.57  molprobity     1  True   
1093  1093  t        -113.2   116.0  Favored   9   7  1.13  10  0.58  molprobity     1  True   
1094  1094  pt-20    -127.9   122.4  Favored   6   9  0.74  12  0.91  molprobity     1  True   
1095  1095  ?        -139.8   150.4  Favored   5   5  0.84   7  0.54  molprobity     1  True   
1096  1096  tt0       -75.7   -36.1  Favored   6   9  0.81  12  0.51  molprobity     1  True   
1097  1097  t70      -102.1   138.7  Favored   4   8  0.50  11  0.65  molprobity     1  True   
1098  1098  m         -54.1   -53.1  Favored   5   6  0.63   8  0.63  molprobity     1  True   
1099  1099  mt-10     -72.4   -34.7  Favored   6   9  1.07  12  0.67  molprobity     1  True   
1100  1100  m         -60.4   -34.0  Favored   7   7  0.64  10  0.36  molprobity     1  True   
1101  1101  tp        -67.0   -50.3  Favored  11   8  0.26  11  0.56  molprobity     1  True   
1102  1102  mm        -56.0   -48.3  Favored  11   8  0.41  11  0.54  molprobity     1  True   
1103  1103  mm-40     -55.3   -42.8  Favored   8   9  0.66  12  0.53  molprobity     1  True   
1104  1104  m         -70.1   -36.3  Favored   7   7  0.67  10  0.46  molprobity     1  True   
1105  1105  mt        -65.8   -40.4  Favored  11   8  0.35  11  0.41  molprobity     1  True   
1106  1106  mt-10     -63.9   -38.5  Favored   6   9  0.39  12  0.66  molprobity     1  True   
1107  1107  m         -57.4   -46.0  Favored   5   6  0.77   8  0.86  molprobity     1  True   
1108  1108  t         -59.5   -37.5  Favored   9   7  0.46  10  0.58  molprobity     1  True   
1109  1109  mtm180    -75.9   -17.2  Favored  13  11  0.46  14  0.69  molprobity     1  True   
1110  1110  m-20      -86.8    -5.3  Favored   6   8  0.49  11  0.23  molprobity     1  True   
1111  1111  t         -73.7   114.8  Favored   9   7  0.91  10  0.60  molprobity     1  True   
1112  1112  mt-10     -72.5   108.9  Favored   6   9  1.75  12  1.06  molprobity     1  True   
1113  1113  ?         138.3   -10.7  Favored   3   4  1.44   5  0.83  molprobity     1  True   
1114  1114  t         -89.2   138.1  Favored   9   7  0.61  10  0.47  molprobity     1  True   
1115  1115  mt        -97.8   -58.8  Allowed  11   8  0.71  11  0.61  molprobity     1  True   
1116  1116  ?        -140.5   134.9  Favored   5   5  1.29   7  0.36  molprobity     1  True   
1117  1117  t        -108.4   108.8  Favored   9   7  1.13  10  0.79  molprobity     1  True   
1118  1118  m         -89.8   113.2  Favored   5   6  1.19   8  0.93  molprobity     1  True   
1119  1119  tt        -86.7   107.4  Favored  11   8  0.78  11  0.62  molprobity     1  True   
1120  1120  t         -91.8    87.0  Favored   9   7  0.86  10  0.65  molprobity     1  True   
1121  1121  t80      -145.7   124.5  Favored   9  13  0.83  18  0.46  molprobity     ?  False  
1122  1122  p-80     -100.1   142.0  Favored   7  11  0.83  15  0.65  molprobity     ?  False  
1123  1123  tt0      -141.9   156.7  Favored   8   9  0.70  12  0.56  molprobity     ?  False  
1124  1124  mp0       -69.9    93.2  Allowed   8   9  0.80  12  0.59  molprobity     ?  False  
1125  1125  pt-20     -97.7   129.1  Favored   6   9  0.62  12  0.67  molprobity     ?  False  
1126  1126  tt0       -89.7   -36.8  Favored   6   9  0.75  12  0.69  molprobity     ?  False  
1127  1127  tt0        67.3   -77.9  OUTLIER   8   9  0.53  12  0.39  molprobity     ?  False  
1128  1128  ?          74.8  -170.6  Favored   3   4  0.52   5  0.97  molprobity     ?  False  
1129  1129  tp10       66.4   107.3  OUTLIER   6   9  0.68  12  0.66  molprobity     ?  False  
1130  1130  pt-20    -122.8   135.1  Favored   6   9  0.79  12  0.58  molprobity     ?  False  
1131  1131  m        -128.2    91.5  Favored   7   7  0.71  11  0.75  molprobity     ?  False  
1132  1132  Cg_exo    -72.2   -75.3  OUTLIER   7   8  0.54  11  0.38  molprobity     ?  False  
1133  1133  OUTLIER  -123.8    19.4  Favored  13  11  0.39  14  1.25  molprobity     ?  False  
1134  1134  t          75.2   144.8  Allowed   5   6  0.86   8  0.73  molprobity     ?  False  
1135  1135  m80       -81.8   -35.8  Favored   7  11  0.54  15  0.36  molprobity     ?  False  
1136  1136  m-70     -109.7   140.6  Favored   7  11  0.68  15  0.47  molprobity     ?  False  
1137  1137  t-80      -69.6   108.5  Favored   7  11  0.61  15  0.58  molprobity     ?  False  
1138  1138  m170      -79.4    96.3  Favored   7  11  0.63  15  0.46  molprobity     ?  False  
1139  1139  t60      -130.7   116.8  Favored   7  11  0.71  15  0.39  molprobity     ?  False  
1140  1140  m170          ?       ?  ?         7  11  0.56  12  0.77  molprobity     ?  False  
1141  1141  ptm           ?       ?  ?        11   8  0.37  10  0.71  molprobity     ?  False  
1142  1142  m-70       74.0   145.3  Allowed   7  11  0.68  15  0.55  molprobity     ?  False  
1143  1143  m         -78.1   -46.1  Favored   7   7  0.86  10  0.73  molprobity     ?  False  
1144  1144  t-20     -145.7   115.6  Favored   6   8  0.99  11  0.52  molprobity     ?  False  
1145  1145  p-90     -109.0   160.4  Favored  10  16  0.81  23  0.58  molprobity     ?  False  
1146  1146  pt20     -125.3   138.7  Favored   8   9  0.74  12  0.48  molprobity     1  True   
1147  1147  m        -109.3   137.9  Favored   9   7  0.96  10  0.64  molprobity     1  True   
1148  1148  p        -126.0   146.7  Favored   5   6  1.19   8  0.45  molprobity     1  True   
1149  1149  t         -98.5   134.6  Favored   5   6  1.59   8  0.62  molprobity     1  True   
1150  1150  mt       -113.8   116.7  Favored  11   8  1.29  11  0.45  molprobity     1  True   
1151  1151  t         -90.1   101.4  Favored   9   7  1.13  10  0.68  molprobity     1  True   
1152  1152  t         -95.7   110.3  Favored   9   7  1.07  10  0.46  molprobity     1  True   
1153  1153  mm-40     -84.0   132.2  Favored   8   9  1.19  12  0.70  molprobity     1  True   
1154  1154  ?        -147.9   172.0  Favored   5   5  0.58   7  0.35  molprobity     1  True   
1155  1155  mptt      -63.7   123.8  Favored  13   9  0.50  11  0.90  molprobity     1  True   
1156  1156  m         -62.3   -29.8  Favored   5   6  0.62   8  0.60  molprobity     1  True   
1157  1157  pt-20     -85.4    -4.9  Favored   6   9  0.93  12  0.54  molprobity     1  True   
1158  1158  ttt180   -123.1     9.7  Favored  13  11  0.85  14  1.10  molprobity     1  True   
1159  1159  mm        -59.9   -42.9  Favored  11   8  0.63  11  0.46  molprobity     1  True   
1160  1160  t         -63.8   -38.3  Favored   5   6  0.76   8  0.47  molprobity     1  True   
1161  1161  m-20      -75.0   -45.4  Favored   4   8  0.42  11  0.69  molprobity     1  True   
1162  1162  mt        -64.6   -40.3  Favored  11   8  0.55  11  0.39  molprobity     1  True   
1163  1163  p         -63.5   -28.8  Favored   5   6  0.45   8  0.38  molprobity     1  True   
1164  1164  m         -76.5   -36.2  Favored   7   7  0.65  10  0.87  molprobity     1  True   
1165  1165  mt-30     -69.5   -41.3  Favored   8   9  0.91  12  0.62  molprobity     1  True   
1166  1166  mt        -65.6   -32.4  Favored  11   8  0.61  11  0.37  molprobity     1  True   
1167  1167  m-20      -80.3    -5.8  Favored   6   8  0.39  11  0.25  molprobity     1  True   
1168  1168  ?         -92.2     2.8  Favored   5   5  0.60   7  0.24  molprobity     1  True   
1169  1169  m-85      -97.3   145.8  Favored   9  12  0.90  17  0.44  molprobity     1  True   
1170  1170  Cg_exo    -66.8   121.6  Favored   7   8  0.30  11  0.39  molprobity     1  True   
1171  1171  ?          84.9    -7.4  Favored   3   4  0.99   5  0.41  molprobity     1  True   
1172  1172  t         -98.3   124.3  Favored   5   6  1.15   8  0.77  molprobity     1  True   
1173  1173  tt0      -141.0   130.2  Favored   6   9  1.00  12  0.73  molprobity     1  True   
1174  1174  t         -73.2   131.6  Favored   9   7  0.77  10  0.53  molprobity     1  True   
1175  1175  ?        -101.5   -51.1  Favored   5   5  0.64   7  0.29  molprobity     1  True   
1176  1176  t        -127.1   137.3  Favored   9   7  0.71  10  0.60  molprobity     1  True   
1177  1177  m        -123.8   118.6  Favored   5   6  0.70   8  0.37  molprobity     1  True   
1178  1178  m-20     -113.7    93.3  Favored   4   8  1.02  11  1.05  molprobity     1  True   
1179  1179  ?         -56.9   -43.9  Favored   5   5  1.52   8  0.48  molprobity     1  True   
1180  1180  Cg_endo   -56.7   -43.9  Favored   7   8  0.65  11  0.87  molprobity     1  True   
1181  1181  m         -83.1   -26.4  Favored   5   6  0.38   8  0.49  molprobity     1  True   
1182  1182  ?          80.8    25.9  Favored   3   4  0.50   5  0.97  molprobity     1  True   
1183  1183  tt0      -113.1   132.3  Favored   8   9  0.96  12  0.68  molprobity     1  True   
1184  1184  mt       -122.7   116.3  Favored  11   8  0.79  11  0.48  molprobity     1  True   
1185  1185  mm        -93.1   118.5  Favored  11   8  0.78  11  0.55  molprobity     1  True   
1186  1186  t        -115.7   133.7  Favored   9   7  0.86  10  0.39  molprobity     1  True   
1187  1187  t        -119.0   123.7  Favored   9   7  0.88  10  0.56  molprobity     1  True   
1188  1188  t        -120.1   142.2  Favored   9   7  0.73  10  0.70  molprobity     1  True   
1189  1189  mp0      -104.9   122.5  Favored   6   9  1.03  12  1.10  molprobity     1  True   
1190  1190  ?        -135.0   161.9  Favored   5   5  1.10   7  0.33  molprobity     1  True   
1191  1191  tt0      -104.6   -44.4  Favored   6   9  1.01  12  0.93  molprobity     1  True   
1192  1192  m-20     -101.4   148.3  Favored   4   8  0.74  11  0.53  molprobity     1  True   
1193  1193  t         -72.6   -40.9  Favored   5   6  0.55   8  0.40  molprobity     1  True   
1194  1194  tt0       -73.7   -35.0  Favored   6   9  0.91  12  0.54  molprobity     1  True   
1195  1195  m         -59.8   -38.5  Favored   7   7  0.50  10  0.59  molprobity     1  True   
1196  1196  tp        -63.2   -50.4  Favored  11   8  0.38  11  0.48  molprobity     1  True   
1197  1197  mt        -55.0   -45.0  Favored  11   8  0.45  11  0.38  molprobity     1  True   
1198  1198  mt-30     -61.6   -37.6  Favored   8   9  0.54  12  0.31  molprobity     1  True   
1199  1199  m         -70.9   -41.8  Favored   7   7  0.63  10  0.54  molprobity     1  True   
1200  1200  mt        -61.9   -32.8  Favored  11   8  0.30  11  0.34  molprobity     1  True   
1201  1201  tt0       -53.6   -49.2  Favored   6   9  0.73  12  0.46  molprobity     1  True   
1202  1202  t         -64.2   -35.7  Favored   5   6  0.43   8  0.45  molprobity     1  True   
1203  1203  t         -61.9   -37.7  Favored   9   7  0.57  10  0.60  molprobity     1  True   
1204  1204  mtm180    -77.9   -15.1  Favored  13  11  0.83  14  0.55  molprobity     1  True   
1205  1205  OUTLIER   -74.3   -16.6  Favored   6   8  0.59  11  0.71  molprobity     1  True   
1206  1206  t         -70.1   120.1  Favored   9   7  0.87  10  0.74  molprobity     1  True   
1207  1207  mt-10     -74.7   113.2  Favored   6   9  2.11  12  0.90  molprobity     1  True   
1208  1208  ?         142.7   -17.3  Favored   3   4  1.71   5  0.92  molprobity     1  True   
1209  1209  t         -82.0   134.5  Favored   9   7  0.71  10  0.40  molprobity     1  True   
1210  1210  mt        -96.1   -44.5  Favored  11   8  0.65  11  0.51  molprobity     1  True   
1211  1211  ?        -163.9   136.3  Favored   5   5  1.22   7  0.38  molprobity     1  True   
1212  1212  t        -108.9   109.3  Favored   9   7  0.86  10  0.55  molprobity     1  True   
1213  1213  m         -92.4   113.2  Favored   5   6  0.81   8  0.48  molprobity     1  True   
1214  1214  tt        -77.3   108.8  Favored  11   8  0.88  11  0.63  molprobity     1  True   
1215  1215  t         -96.5    87.1  Allowed   9   7  1.19  10  0.94  molprobity     1  True   
1216  1216  t80      -130.8   -47.2  Allowed   9  13  0.59  18  0.95  molprobity     ?  False  
1217  1217  m170       65.5  -168.4  Allowed   7  11  0.80  15  0.43  molprobity     ?  False  
1218  1218  mt-30     -98.6   164.3  Favored   8   9  0.92  12  0.82  molprobity     ?  False  
1219  1219  pt20      -67.5     0.1  Favored   8   9  0.70  12  0.43  molprobity     ?  False  
1220  1220  mm-40    -102.7   127.1  Favored   6   9  0.68  12  0.65  molprobity     ?  False  
1221  1221  mp0       -56.4   -60.8  Favored   6   9  0.85  12  0.86  molprobity     ?  False  
1222  1222  mt-30     -87.8    48.2  Allowed   8   9  0.55  12  0.54  molprobity     ?  False  
1223  1223  ?         -78.2    61.7  Favored   3   4  0.93   5  0.63  molprobity     ?  False  
1224  1224  pt-20    -158.2   143.7  Favored   6   9  0.83  12  0.71  molprobity     ?  False  
1225  1225  mm-40     -62.4   110.8  Allowed   6   9  0.83  12  0.67  molprobity     ?  False  
1226  1226  m        -120.0   114.7  Favored   7   7  0.98  11  0.70  molprobity     ?  False  
1227  1227  Cg_endo   -84.8  -160.1  Allowed   7   8  0.64  11  0.40  molprobity     ?  False  
1228  1228  ptp180    -64.3   -11.4  Favored  13  11  0.49  14  0.96  molprobity     ?  False  
1229  1229  t         -81.3    19.1  Allowed   5   6  0.79   8  0.34  molprobity     ?  False  
1230  1230  t-80      -79.2   -14.1  Favored   7  11  0.58  15  0.63  molprobity     ?  False  
1231  1231  m80        66.2    79.6  Allowed   7  11  0.57  15  0.56  molprobity     ?  False  
1232  1232  m-70      -81.5    82.4  Favored   7  11  0.48  15  0.93  molprobity     ?  False  
1233  1233  t60       167.4   -39.8  OUTLIER   7  11  0.53  15  0.77  molprobity     ?  False  
1234  1234  t60       -72.1   -45.7  Favored   7  11  0.47  15  0.56  molprobity     ?  False  
1235  1235  t60           ?       ?  ?         7  11  0.59  12  0.46  molprobity     ?  False  
1236  1236  mtm           ?       ?  ?        11   8  0.48  10  0.51  molprobity     ?  False  
1237  1237  m80       -85.6   101.7  Favored   7  11  0.45  15  0.35  molprobity     ?  False  
1238  1238  p         -89.8   -15.5  Favored   7   7  0.61  10  0.48  molprobity     ?  False  
1239  1239  OUTLIER   -79.2   103.5  Favored   6   8  0.97  11  0.68  molprobity     ?  False  
1240  1240  OUTLIER   -92.0   177.3  Favored  10  16  0.71  23  0.53  molprobity     ?  False  
1241  1241  pp0?     -133.6   159.2  Favored   8   9  0.64  12  0.60  molprobity     1  True   
1242  1242  m        -122.3   148.9  Favored   9   7  0.79  10  0.53  molprobity     1  True   
1243  1243  p        -144.4   156.1  Favored   5   6  0.80   8  0.34  molprobity     1  True   
1244  1244  t        -116.5   139.8  Favored   5   6  1.41   8  0.61  molprobity     1  True   
1245  1245  mt       -116.1   122.0  Favored  11   8  1.15  11  0.44  molprobity     1  True   
1246  1246  t         -99.9   102.2  Favored   9   7  1.18  10  0.72  molprobity     1  True   
1247  1247  t         -99.6   116.7  Favored   9   7  0.95  10  0.49  molprobity     1  True   
1248  1248  mp0       -86.4   116.5  Favored   8   9  1.02  12  1.07  molprobity     1  True   
1249  1249  ?        -130.7   172.9  Favored   5   5  0.69   7  0.41  molprobity     1  True   
1250  1250  mptt      -59.3   113.2  Favored  13   9  0.62  11  0.88  molprobity     1  True   
1251  1251  m         -58.7   -33.0  Favored   5   6  0.76   8  0.84  molprobity     1  True   
1252  1252  pt-20     -86.8    -0.9  Favored   6   9  0.97  12  0.48  molprobity     1  True   
1253  1253  ttt180   -123.6    14.3  Favored  13  11  0.68  14  0.75  molprobity     1  True   
1254  1254  mm        -54.2   -45.7  Favored  11   8  0.54  11  0.51  molprobity     1  True   
1255  1255  m         -70.4   -31.9  Favored   5   6  0.75   8  0.72  molprobity     1  True   
1256  1256  t70       -66.0   -45.3  Favored   4   8  0.77  11  0.72  molprobity     1  True   
1257  1257  mt        -70.6   -37.7  Favored  11   8  0.43  11  0.48  molprobity     1  True   
1258  1258  t         -60.2   -36.0  Favored   5   6  0.40   8  0.19  molprobity     1  True   
1259  1259  m         -71.9   -35.7  Favored   7   7  0.80  10  0.82  molprobity     1  True   
1260  1260  mt-30     -68.6   -47.7  Favored   8   9  0.98  12  0.64  molprobity     1  True   
1261  1261  mt        -66.6   -34.2  Favored  11   8  0.51  11  0.32  molprobity     1  True   
1262  1262  m-20      -77.8    -5.0  Favored   6   8  0.59  11  0.33  molprobity     1  True   
1263  1263  ?        -100.5     2.5  Favored   5   5  0.43   7  0.38  molprobity     1  True   
1264  1264  m-85      -89.5   149.2  Favored   9  12  0.82  17  0.52  molprobity     1  True   
1265  1265  Cg_endo   -77.8    98.8  Allowed   7   8  0.42  11  0.61  molprobity     1  True   
1266  1266  ?         104.2     4.3  Favored   3   4  0.95   5  0.75  molprobity     1  True   
1267  1267  t        -116.2   126.1  Favored   5   6  1.02   8  0.87  molprobity     1  True   
1268  1268  tt0      -155.6   137.3  Favored   6   9  1.14  12  0.72  molprobity     1  True   
1269  1269  t         -71.6   145.6  Favored   9   7  0.71  10  0.52  molprobity     1  True   
1270  1270  ?        -120.3   -68.0  Allowed   5   5  0.57   7  0.41  molprobity     1  True   
1271  1271  t         -98.3   143.1  Favored   9   7  0.73  10  0.50  molprobity     1  True   
1272  1272  m        -139.5   140.7  Favored   5   6  0.65   8  0.42  molprobity     1  True   
1273  1273  m-20     -139.3    91.4  Favored   4   8  0.73  11  0.78  molprobity     1  True   
1274  1274  ?         -53.8   -42.2  Favored   5   5  1.27   8  0.63  molprobity     1  True   
1275  1275  Cg_endo   -52.9   -44.4  Favored   7   8  0.60  11  0.83  molprobity     1  True   
1276  1276  t         -89.2   -23.8  Favored   5   6  0.77   8  0.53  molprobity     1  True   
1277  1277  ?          85.5    26.0  Favored   3   4  0.78   5  0.85  molprobity     1  True   
1278  1278  tt0       -99.8   135.1  Favored   8   9  0.83  12  0.54  molprobity     1  True   
1279  1279  mt       -130.9   121.4  Favored  11   8  0.56  11  0.40  molprobity     1  True   
1280  1280  mm        -99.2   118.4  Favored  11   8  0.89  11  0.54  molprobity     1  True   
1281  1281  t        -117.0   131.0  Favored   9   7  1.02  10  0.46  molprobity     1  True   
1282  1282  t        -106.5   122.2  Favored   9   7  0.95  10  0.54  molprobity     1  True   
1283  1283  t        -125.2   111.6  Favored   9   7  1.05  10  0.63  molprobity     1  True   
1284  1284  OUTLIER  -108.6   130.6  Favored   6   9  1.03  12  0.92  molprobity     1  True   
1285  1285  ?        -131.2   145.1  Favored   5   5  0.70   7  0.87  molprobity     1  True   
1286  1286  tp10      -56.5   -50.0  Favored   6   9  0.67  12  1.10  molprobity     1  True   
1287  1287  t70      -120.2   143.5  Favored   4   8  0.40  11  0.79  molprobity     1  True   
1288  1288  m         -72.7   -32.2  Favored   5   6  0.49   8  0.54  molprobity     1  True   
1289  1289  tt0       -73.5   -32.2  Favored   6   9  0.65  12  0.67  molprobity     1  True   
1290  1290  m         -63.8   -38.7  Favored   7   7  0.42  10  0.61  molprobity     1  True   
1291  1291  tp        -58.6   -50.1  Favored  11   8  0.14  11  0.40  molprobity     1  True   
1292  1292  mt        -56.8   -50.7  Favored  11   8  0.37  11  0.46  molprobity     1  True   
1293  1293  mt-30     -59.7   -36.8  Favored   8   9  0.60  12  0.30  molprobity     1  True   
1294  1294  m         -70.7   -45.5  Favored   7   7  0.58  10  0.42  molprobity     1  True   
1295  1295  mt        -66.0   -35.2  Favored  11   8  0.46  11  0.32  molprobity     1  True   
1296  1296  tp10      -64.0   -39.6  Favored   6   9  0.48  12  0.64  molprobity     1  True   
1297  1297  m         -59.9   -40.9  Favored   5   6  0.90   8  0.86  molprobity     1  True   
1298  1298  t         -62.9   -41.5  Favored   9   7  0.40  10  0.67  molprobity     1  True   
1299  1299  mtm180    -73.7   -11.4  Favored  13  11  0.67  14  0.71  molprobity     1  True   
1300  1300  m-80      -93.1    -1.8  Favored   6   8  0.58  11  0.44  molprobity     1  True   
1301  1301  t         -72.4   121.4  Favored   9   7  0.81  10  0.71  molprobity     1  True   
1302  1302  mt-10     -86.3    66.8  Favored   6   9  1.42  12  0.94  molprobity     1  True   
1303  1303  ?        -158.1    14.4  Allowed   3   4  1.06   5  0.92  molprobity     1  True   
1304  1304  t        -103.1   146.3  Favored   9   7  0.57  10  0.29  molprobity     1  True   
1305  1305  mt       -101.2   -58.8  Allowed  11   8  0.26  11  0.71  molprobity     1  True   
1306  1306  ?        -147.5   133.4  Favored   5   5  0.86   7  0.30  molprobity     1  True   
1307  1307  t        -108.2   109.2  Favored   9   7  0.86  10  0.67  molprobity     1  True   
1308  1308  m         -92.7   111.8  Favored   5   6  1.03   8  0.69  molprobity     1  True   
1309  1309  tt        -87.2   121.6  Favored  11   8  0.83  11  0.72  molprobity     1  True   
1310  1310  t        -103.9    87.8  Allowed   9   7  0.70  10  0.74  molprobity     1  True   
1311  1311  t80      -178.7   -57.3  OUTLIER   9  13  0.61  18  0.54  molprobity     ?  False  
1312  1312  t-80     -166.6   147.6  Favored   7  11  0.69  15  0.62  molprobity     ?  False  
1313  1313  pt20     -124.4   138.0  Favored   8   9  0.74  12  0.43  molprobity     ?  False  
1314  1314  tp60     -125.1   -77.2  Allowed   8   9  0.55  12  0.57  molprobity     ?  False  
1315  1315  mm-40      57.8  -176.5  Allowed   6   9  0.87  12  0.54  molprobity     ?  False  
1316  1316  tt0       -89.7   -61.3  Allowed   6   9  0.92  12  0.88  molprobity     ?  False  
1317  1317  pt20     -151.8   155.3  Favored   8   9  0.95  12  0.46  molprobity     ?  False  
1318  1318  ?        -139.8   156.4  Favored   3   4  1.74   5  0.68  molprobity     ?  False  
1319  1319  mt-10     -83.5    77.3  Favored   6   9  0.67  12  0.95  molprobity     ?  False  
1320  1320  mt-10     -59.0   -45.3  Favored   6   9  0.83  12  0.65  molprobity     ?  False  
1321  1321  t        -139.9    91.1  Favored   7   7  1.10  11  0.72  molprobity     ?  False  
1322  1322  Cg_endo   -71.1  -175.1  Allowed   7   8  0.66  11  0.43  molprobity     ?  False  
1323  1323  mpt_?      61.7    85.2  Allowed  13  11  0.75  14  0.94  molprobity     ?  False  
1324  1324  p         -66.7   -50.6  Favored   5   6  0.94   8  1.13  molprobity     ?  False  
1325  1325  p-80      -91.8   132.1  Favored   7  11  0.84  15  0.64  molprobity     ?  False  
1326  1326  m170      -73.5   -66.6  Allowed   7  11  0.52  15  0.29  molprobity     ?  False  
1327  1327  p80      -172.7   148.2  Allowed   7  11  0.95  15  0.55  molprobity     ?  False  
1328  1328  t-80     -150.7   105.6  Favored   7  11  0.67  15  0.52  molprobity     ?  False  
1329  1329  p80       -80.3    64.6  Favored   7  11  0.54  15  0.96  molprobity     ?  False  
1330  1330  t60           ?       ?  ?         7  11  0.66  12  0.61  molprobity     ?  False  
1331  1331  mmm           ?       ?  ?        11   8  0.32  10  0.69  molprobity     ?  False  
1332  1332  m80       -96.3   -17.9  Favored   7  11  0.74  15  0.41  molprobity     ?  False  
1333  1333  m        -113.0   -33.9  Favored   7   7  0.58  10  0.63  molprobity     ?  False  
1334  1334  m120      -99.6   105.7  Favored   6   8  0.64  11  0.47  molprobity     ?  False  
1335  1335  OUTLIER  -162.1   178.4  Favored  10  16  0.74  23  0.62  molprobity     ?  False  
1336  1336  mt-30    -105.2   120.6  Favored   8   9  0.87  12  0.50  molprobity     1  True   
1337  1337  m        -121.5   156.6  Favored   9   7  1.01  10  0.42  molprobity     1  True   
1338  1338  p        -152.0   160.2  Favored   5   6  1.13   8  0.38  molprobity     1  True   
1339  1339  t        -115.1   143.5  Favored   5   6  1.48   8  0.69  molprobity     1  True   
1340  1340  mt       -120.8   126.0  Favored  11   8  1.13  11  0.43  molprobity     1  True   
1341  1341  t         -97.2   102.4  Favored   9   7  1.05  10  0.78  molprobity     1  True   
1342  1342  t         -93.7   119.1  Favored   9   7  0.81  10  0.51  molprobity     1  True   
1343  1343  mt-30     -91.5   120.2  Favored   8   9  1.08  12  0.61  molprobity     1  True   
1344  1344  ?        -137.7   173.3  Favored   5   5  0.88   7  0.45  molprobity     1  True   
1345  1345  mptp?     -59.2   113.1  Allowed  13   9  0.45  11  0.81  molprobity     1  True   
1346  1346  m         -58.7   -28.2  Favored   5   6  0.68   8  0.52  molprobity     1  True   
1347  1347  pt-20     -82.2   -18.8  Favored   6   9  0.81  12  0.54  molprobity     1  True   
1348  1348  ttt180   -111.7    15.3  Favored  13  11  0.57  14  1.17  molprobity     1  True   
1349  1349  mm        -52.1   -42.4  Favored  11   8  0.56  11  0.44  molprobity     1  True   
1350  1350  m         -61.3   -45.7  Favored   5   6  0.64   8  0.56  molprobity     1  True   
1351  1351  t70       -62.8   -46.8  Favored   4   8  0.59  11  0.69  molprobity     1  True   
1352  1352  mt        -67.4   -39.2  Favored  11   8  0.42  11  0.48  molprobity     1  True   
1353  1353  t         -61.9   -35.2  Favored   5   6  0.78   8  0.34  molprobity     1  True   
1354  1354  m         -72.8   -32.9  Favored   7   7  0.87  10  0.74  molprobity     1  True   
1355  1355  OUTLIER   -73.5   -43.3  Favored   8   9  0.82  12  0.62  molprobity     1  True   
1356  1356  mt        -72.1   -39.3  Favored  11   8  0.59  11  0.38  molprobity     1  True   
1357  1357  t30       -80.1     7.5  Favored   6   8  0.73  11  0.81  molprobity     1  True   
1358  1358  ?        -109.3    -0.5  Favored   5   5  0.48   7  0.23  molprobity     1  True   
1359  1359  m-85      -81.3   148.5  Favored   9  12  0.84  17  0.61  molprobity     1  True   
1360  1360  Cg_exo    -46.5   -33.4  Favored   7   8  1.36  11  0.75  molprobity     1  True   
1361  1361  ?        -138.3    22.7  Favored   3   4  1.24   5  0.20  molprobity     1  True   
1362  1362  m        -112.2   120.5  Favored   5   6  1.09   8  0.58  molprobity     1  True   
1363  1363  tt0      -125.6   134.0  Favored   6   9  0.64  12  0.60  molprobity     1  True   
1364  1364  t         -82.8   116.6  Favored   9   7  0.72  10  0.48  molprobity     1  True   
1365  1365  ?         -88.0   -56.4  Favored   5   5  0.55   7  0.43  molprobity     1  True   
1366  1366  t        -125.9   121.0  Favored   9   7  0.86  10  0.51  molprobity     1  True   
1367  1367  p        -114.6   109.7  Favored   5   6  0.82   8  0.49  molprobity     1  True   
1368  1368  t70      -112.5    91.0  Favored   4   8  0.59  11  0.73  molprobity     1  True   
1369  1369  ?         -53.4   -44.8  Favored   5   5  1.20   8  0.75  molprobity     1  True   
1370  1370  Cg_endo   -49.7   -38.5  Favored   7   8  0.69  11  0.90  molprobity     1  True   
1371  1371  m         -92.8   -18.2  Favored   5   6  0.41   8  0.50  molprobity     1  True   
1372  1372  ?          75.8    24.8  Favored   3   4  0.39   5  0.53  molprobity     1  True   
1373  1373  mt-30    -117.4   137.0  Favored   8   9  0.81  12  0.42  molprobity     1  True   
1374  1374  mp       -126.3   133.0  Favored  11   8  0.77  11  0.60  molprobity     1  True   
1375  1375  mm        -95.1   118.1  Favored  11   8  0.93  11  0.57  molprobity     1  True   
1376  1376  t        -119.1   119.1  Favored   9   7  1.04  10  0.46  molprobity     1  True   
1377  1377  t         -94.1   124.5  Favored   9   7  0.89  10  0.54  molprobity     1  True   
1378  1378  t        -116.6   123.7  Favored   9   7  0.99  10  0.69  molprobity     1  True   
1379  1379  mp0      -106.1   136.2  Favored   6   9  0.80  12  1.00  molprobity     1  True   
1380  1380  ?        -154.3   162.2  Favored   5   5  0.94   7  0.71  molprobity     1  True   
1381  1381  tp10      -80.2   -73.2  Allowed   6   9  0.77  12  0.75  molprobity     1  True   
1382  1382  m-20      -86.9   155.2  Favored   4   8  0.41  11  0.50  molprobity     1  True   
1383  1383  m         -66.4   -44.1  Favored   5   6  0.49   8  0.43  molprobity     1  True   
1384  1384  tt0       -69.2   -40.6  Favored   6   9  0.96  12  0.64  molprobity     1  True   
1385  1385  m         -58.1   -42.8  Favored   7   7  0.46  10  0.52  molprobity     1  True   
1386  1386  tp        -59.0   -51.0  Favored  11   8  0.25  11  0.39  molprobity     1  True   
1387  1387  mt        -56.5   -48.2  Favored  11   8  0.41  11  0.45  molprobity     1  True   
1388  1388  mt-30     -62.8   -36.4  Favored   8   9  0.41  12  0.37  molprobity     1  True   
1389  1389  m         -66.6   -41.9  Favored   7   7  0.55  10  0.55  molprobity     1  True   
1390  1390  mt        -67.4   -33.4  Favored  11   8  0.34  11  0.37  molprobity     1  True   
1391  1391  mt-10     -66.3   -35.0  Favored   6   9  0.69  12  0.49  molprobity     1  True   
1392  1392  t         -65.3   -37.6  Favored   5   6  0.43   8  0.55  molprobity     1  True   
1393  1393  t         -61.6   -42.1  Favored   9   7  0.49  10  0.60  molprobity     1  True   
1394  1394  mtt180    -71.6   -11.5  Favored  13  11  0.57  14  0.59  molprobity     1  True   
1395  1395  m-20      -88.5     0.9  Favored   6   8  0.35  11  0.26  molprobity     1  True   
1396  1396  t         -76.1   133.3  Favored   9   7  0.76  10  0.68  molprobity     1  True   
1397  1397  mm-40     -70.4   -24.9  Favored   6   9  0.93  12  1.01  molprobity     1  True   
1398  1398  ?         -88.3    -3.2  Favored   3   4  1.05   5  0.40  molprobity     1  True   
1399  1399  t         -91.0   137.6  Favored   9   7  0.64  10  0.54  molprobity     1  True   
1400  1400  mt       -102.2   -61.0  Allowed  11   8  0.60  11  0.41  molprobity     1  True   
1401  1401  ?        -141.8   131.8  Favored   5   5  1.15   7  0.41  molprobity     1  True   
1402  1402  t        -108.8   108.8  Favored   9   7  1.02  10  0.63  molprobity     1  True   
1403  1403  m         -88.3   112.6  Favored   5   6  1.03   8  0.97  molprobity     1  True   
1404  1404  tt        -84.6   112.3  Favored  11   8  0.76  11  0.87  molprobity     1  True   
1405  1405  t         -91.9    84.3  Favored   9   7  0.74  10  0.71  molprobity     1  True   
1406  1406  t80      -172.5   125.0  Allowed   9  13  0.82  18  0.65  molprobity     ?  False  
1407  1407  m80      -110.7   134.1  Favored   7  11  0.67  15  0.33  molprobity     ?  False  
1408  1408  mt-30     -81.2    81.5  Favored   8   9  0.65  12  0.53  molprobity     ?  False  
1409  1409  mm-40     -85.2    82.1  Favored   8   9  0.82  12  0.73  molprobity     ?  False  
1410  1410  pt-20    -116.7   119.8  Favored   6   9  0.83  12  0.86  molprobity     ?  False  
1411  1411  pt-20     -89.6   -24.2  Favored   6   9  0.76  12  0.59  molprobity     ?  False  
1412  1412  tp-100   -124.6   159.9  Favored   8   9  0.86  12  0.66  molprobity     ?  False  
1413  1413  ?         -84.8    94.9  Allowed   3   4  1.29   5  0.62  molprobity     ?  False  
1414  1414  tt0       -78.9    67.8  Favored   6   9  0.84  12  0.95  molprobity     ?  False  
1415  1415  tt0      -121.7   -60.2  Allowed   6   9  0.83  12  1.17  molprobity     ?  False  
1416  1416  m        -146.1    91.3  Favored   7   7  0.93  11  0.77  molprobity     ?  False  
1417  1417  Cg_exo    -75.5     7.1  Favored   7   8  0.56  11  0.41  molprobity     ?  False  
1418  1418  mtp180   -118.3   141.9  Favored  13  11  0.99  14  0.66  molprobity     ?  False  
1419  1419  t        -140.1   -71.2  Allowed   5   6  1.13   8  0.74  molprobity     ?  False  
1420  1420  t60      -147.4   128.4  Favored   7  11  0.82  15  0.63  molprobity     ?  False  
1421  1421  t-80     -153.7   -54.4  Allowed   7  11  0.52  15  0.55  molprobity     ?  False  
1422  1422  p80       -62.3   137.8  Favored   7  11  0.70  15  0.58  molprobity     ?  False  
1423  1423  m-70      -69.8   119.5  Favored   7  11  0.49  15  0.49  molprobity     ?  False  
1424  1424  t60       -79.1   110.5  Favored   7  11  0.89  15  0.48  molprobity     ?  False  
1425  1425  m80           ?       ?  ?         7  11  0.65  12  0.40  molprobity     ?  False  
1426  1426  ttm           ?       ?  ?        11   8  0.68  10  0.65  molprobity     ?  False  
1427  1427  m-70      -93.8   128.1  Favored   7  11  0.65  15  0.59  molprobity     ?  False  
1428  1428  p         -71.5   138.5  Favored   7   7  0.80  10  0.54  molprobity     ?  False  
1429  1429  m120      -60.7   131.8  Favored   6   8  0.87  11  0.64  molprobity     ?  False  
1430  1430  p-90     -120.1   158.8  Favored  10  16  1.03  23  0.55  molprobity     ?  False  
1431  1431  mt-30    -108.8   140.9  Favored   8   9  0.84  12  0.78  molprobity     1  True   
1432  1432  p        -117.8   125.3  Favored   9   7  0.95  10  0.52  molprobity     1  True   
1433  1433  m        -137.5   152.6  Favored   5   6  1.11   8  0.47  molprobity     1  True   
1434  1434  t        -102.5   149.8  Favored   5   6  1.38   8  0.59  molprobity     1  True   
1435  1435  mt       -124.1   119.2  Favored  11   8  1.22  11  0.57  molprobity     1  True   
1436  1436  t         -91.5   101.8  Favored   9   7  1.08  10  0.71  molprobity     1  True   
1437  1437  t         -95.2   110.2  Favored   9   7  0.94  10  0.47  molprobity     1  True   
1438  1438  tp-100    -93.8   123.0  Favored   8   9  0.93  12  0.71  molprobity     1  True   
1439  1439  ?        -140.6   172.6  Favored   5   5  0.59   7  0.62  molprobity     1  True   
1440  1440  mptp?     -51.6   115.6  Allowed  13   9  0.54  11  0.97  molprobity     1  True   
1441  1441  m         -54.8   -35.3  Favored   5   6  0.76   8  0.84  molprobity     1  True   
1442  1442  pt-20     -75.8   -21.5  Favored   6   9  0.82  12  0.52  molprobity     1  True   
1443  1443  ttt85    -112.2     9.2  Favored  13  11  0.52  14  0.81  molprobity     1  True   
1444  1444  mt        -55.4   -43.1  Favored  11   8  0.41  11  0.43  molprobity     1  True   
1445  1445  m         -57.4   -44.3  Favored   5   6  0.76   8  0.61  molprobity     1  True   
1446  1446  m-20      -64.7   -55.5  Favored   4   8  0.49  11  0.95  molprobity     1  True   
1447  1447  mt        -59.6   -44.2  Favored  11   8  0.48  11  0.33  molprobity     1  True   
1448  1448  t         -62.1   -31.2  Favored   5   6  0.62   8  0.26  molprobity     1  True   
1449  1449  m         -79.6   -35.9  Favored   7   7  0.82  10  0.77  molprobity     1  True   
1450  1450  mt-30     -70.0   -42.7  Favored   8   9  0.90  12  0.71  molprobity     1  True   
1451  1451  mt        -66.5   -34.7  Favored  11   8  0.42  11  0.37  molprobity     1  True   
1452  1452  t-20      -75.5   -10.8  Favored   6   8  0.59  11  0.62  molprobity     1  True   
1453  1453  ?         -89.0   -11.2  Favored   5   5  0.47   7  0.27  molprobity     1  True   
1454  1454  m-85      -72.5   149.2  Favored   9  12  0.82  17  0.48  molprobity     1  True   
1455  1455  Cg_exo    -60.0   101.7  Allowed   7   8  0.40  11  0.46  molprobity     1  True   
1456  1456  ?          81.7    15.4  Favored   3   4  0.79   5  0.16  molprobity     1  True   
1457  1457  m        -113.2   129.7  Favored   5   6  1.15   8  0.62  molprobity     1  True   
1458  1458  tt0      -137.2   137.6  Favored   6   9  1.07  12  0.50  molprobity     1  True   
1459  1459  t         -83.2   104.8  Favored   9   7  0.85  10  0.60  molprobity     1  True   
1460  1460  ?         -82.1   -41.9  Favored   5   5  0.70   7  0.39  molprobity     1  True   
1461  1461  t        -119.7   109.9  Favored   9   7  0.85  10  0.51  molprobity     1  True   
1462  1462  m        -105.8   105.1  Favored   5   6  0.95   8  0.49  molprobity     1  True   
1463  1463  t70      -124.4    97.0  Favored   4   8  0.63  11  0.57  molprobity     1  True   
1464  1464  ?         -62.5   -41.8  Favored   5   5  1.16   8  0.68  molprobity     1  True   
1465  1465  Cg_endo   -55.7   -44.5  Favored   7   8  0.68  11  0.80  molprobity     1  True   
1466  1466  t         -90.7   -13.9  Favored   5   6  0.66   8  0.55  molprobity     1  True   
1467  1467  ?          77.6    25.1  Favored   3   4  0.68   5  0.36  molprobity     1  True   
1468  1468  mt-30    -110.3   125.5  Favored   8   9  1.15  12  0.53  molprobity     1  True   
1469  1469  mt       -115.9   110.9  Favored  11   8  0.93  11  0.55  molprobity     1  True   
1470  1470  mt        -91.0   118.5  Favored  11   8  0.85  11  0.47  molprobity     1  True   
1471  1471  t        -110.0   119.9  Favored   9   7  1.07  10  0.48  molprobity     1  True   
1472  1472  t         -96.6   122.1  Favored   9   7  0.96  10  0.57  molprobity     1  True   
1473  1473  t        -121.3   130.6  Favored   9   7  0.71  10  0.62  molprobity     1  True   
1474  1474  mp0      -106.2   121.5  Favored   6   9  1.01  12  1.05  molprobity     1  True   
1475  1475  ?        -130.3   142.8  Favored   5   5  1.19   7  0.57  molprobity     1  True   
1476  1476  tt0       -75.5   -31.9  Favored   6   9  1.02  12  0.77  molprobity     1  True   
1477  1477  t70      -129.8   149.7  Favored   4   8  0.32  11  0.65  molprobity     1  True   
1478  1478  m         -55.2   -45.8  Favored   5   6  0.42   8  0.55  molprobity     1  True   
1479  1479  tt0       -78.7   -35.2  Favored   6   9  0.94  12  0.65  molprobity     1  True   
1480  1480  m         -61.7   -36.9  Favored   7   7  0.45  10  0.56  molprobity     1  True   
1481  1481  tp        -59.6   -51.1  Favored  11   8  0.39  11  0.45  molprobity     1  True   
1482  1482  mt        -60.8   -48.1  Favored  11   8  0.31  11  0.38  molprobity     1  True   
1483  1483  tt0       -57.2   -43.2  Favored   8   9  0.78  12  0.38  molprobity     1  True   
1484  1484  m         -65.2   -39.2  Favored   7   7  0.54  10  0.57  molprobity     1  True   
1485  1485  mt        -65.7   -39.6  Favored  11   8  0.35  11  0.37  molprobity     1  True   
1486  1486  mt-10     -67.0   -32.4  Favored   6   9  0.58  12  0.59  molprobity     1  True   
1487  1487  m         -64.0   -42.3  Favored   5   6  0.79   8  0.73  molprobity     1  True   
1488  1488  t         -61.3   -39.4  Favored   9   7  0.45  10  0.79  molprobity     1  True   
1489  1489  mtp180    -67.8   -14.9  Favored  13  11  0.62  14  0.39  molprobity     1  True   
1490  1490  OUTLIER   -83.3   -10.6  Favored   6   8  0.51  11  0.50  molprobity     1  True   
1491  1491  t         -71.6   121.2  Favored   9   7  1.06  10  0.68  molprobity     1  True   
1492  1492  mt-10     -73.7   116.5  Favored   6   9  2.29  12  0.94  molprobity     1  True   
1493  1493  ?         128.7   -10.3  Favored   3   4  1.89   5  0.71  molprobity     1  True   
1494  1494  t         -80.9   132.6  Favored   9   7  0.68  10  0.39  molprobity     1  True   
1495  1495  mt        -99.2   -60.4  Allowed  11   8  0.56  11  0.28  molprobity     1  True   
1496  1496  ?        -135.1   127.5  Favored   5   5  0.96   7  0.35  molprobity     1  True   
1497  1497  t        -108.8   109.9  Favored   9   7  0.88  10  0.64  molprobity     1  True   
1498  1498  m         -94.0   115.9  Favored   5   6  0.79   8  0.61  molprobity     1  True   
1499  1499  tt        -81.9   108.3  Favored  11   8  0.95  11  0.71  molprobity     1  True   
1500  1500  t         -92.8    89.8  Favored   9   7  0.89  10  0.54  molprobity     1  True   
1501  1501  m-85      -66.6   -33.3  Favored   9  13  0.44  18  0.83  molprobity     ?  False  
1502  1502  m80       -63.3   143.6  Favored   7  11  0.67  15  0.41  molprobity     ?  False  
1503  1503  pt20     -126.0  -176.5  Favored   8   9  0.57  12  0.63  molprobity     ?  False  
1504  1504  mm100     -54.9   -48.8  Favored   8   9  0.67  12  0.28  molprobity     ?  False  
1505  1505  pt-20    -130.7   123.7  Favored   6   9  0.74  12  0.66  molprobity     ?  False  
1506  1506  tp10      -66.3   -62.2  Allowed   6   9  0.64  12  0.66  molprobity     ?  False  
1507  1507  mt-30    -149.7   148.5  Favored   8   9  0.63  12  0.42  molprobity     ?  False  
1508  1508  ?         -87.9    53.8  Favored   3   4  0.74   5  0.38  molprobity     ?  False  
1509  1509  tt0       -96.7   102.5  Favored   6   9  0.78  12  0.49  molprobity     ?  False  
1510  1510  pt-20    -105.0     1.8  Favored   6   9  0.76  12  0.56  molprobity     ?  False  
1511  1511  m         -95.9   104.3  Favored   7   7  0.73  11  0.58  molprobity     ?  False  
1512  1512  Cg_endo   -99.0   154.7  Allowed   7   8  0.80  11  0.66  molprobity     ?  False  
1513  1513  mpt_?      70.5   151.3  Allowed  13  11  0.86  14  0.96  molprobity     ?  False  
1514  1514  t         -78.4    90.8  Favored   5   6  0.90   8  0.46  molprobity     ?  False  
1515  1515  t60      -117.2   115.0  Favored   7  11  0.79  15  0.42  molprobity     ?  False  
1516  1516  m80      -130.4   154.7  Favored   7  11  0.67  15  0.36  molprobity     ?  False  
1517  1517  m80       -85.0   -17.2  Favored   7  11  0.43  15  0.50  molprobity     ?  False  
1518  1518  m80        65.2  -170.9  Allowed   7  11  0.57  15  0.30  molprobity     ?  False  
1519  1519  t-80     -142.1   144.7  Favored   7  11  0.64  15  0.40  molprobity     ?  False  
1520  1520  p-80          ?       ?  ?         7  11  0.66  12  0.69  molprobity     ?  False  
1521  1521  mtm           ?       ?  ?        11   8  0.29  10  0.45  molprobity     ?  False  
1522  1522  t60      -139.0    92.8  Favored   7  11  0.82  15  0.43  molprobity     ?  False  
1523  1523  m         -92.5   -66.0  Allowed   7   7  0.70  10  0.71  molprobity     ?  False  
1524  1524  t-20     -161.3   133.7  Favored   6   8  1.11  11  0.53  molprobity     ?  False  
1525  1525  OUTLIER  -117.1   160.2  Favored  10  16  0.81  23  0.72  molprobity     ?  False  
1526  1526  pt20     -114.5   137.7  Favored   8   9  0.89  12  0.50  molprobity     1  True   
1527  1527  m        -108.3   146.3  Favored   9   7  1.01  10  0.45  molprobity     1  True   
1528  1528  t        -137.5   138.4  Favored   5   6  1.07   8  0.49  molprobity     1  True   
1529  1529  t        -100.7   137.6  Favored   5   6  1.39   8  0.64  molprobity     1  True   
1530  1530  mt       -119.8   127.4  Favored  11   8  0.93  11  0.41  molprobity     1  True   
1531  1531  t         -95.6   102.2  Favored   9   7  0.87  10  0.68  molprobity     1  True   
1532  1532  t         -94.6   111.3  Favored   9   7  0.89  10  0.50  molprobity     1  True   
1533  1533  tt0       -86.9   117.5  Favored   8   9  0.84  12  0.68  molprobity     1  True   
1534  1534  ?        -140.2   172.5  Favored   5   5  0.61   7  0.69  molprobity     1  True   
1535  1535  OUTLIER   -70.6   121.2  Favored  13   9  0.51  11  0.74  molprobity     1  True   
1536  1536  t         -59.1   -43.4  Favored   5   6  0.55   8  0.27  molprobity     1  True   
1537  1537  pt-20     -68.7   -16.6  Favored   6   9  0.71  12  0.54  molprobity     1  True   
1538  1538  ttm180   -108.8     2.7  Favored  13  11  0.73  14  0.58  molprobity     1  True   
1539  1539  mt        -53.8   -39.5  Favored  11   8  0.60  11  0.69  molprobity     1  True   
1540  1540  m         -66.3   -36.6  Favored   5   6  0.54   8  0.52  molprobity     1  True   
1541  1541  m-20      -73.7   -40.4  Favored   4   8  0.47  11  0.79  molprobity     1  True   
1542  1542  mt        -67.7   -48.5  Favored  11   8  0.43  11  0.39  molprobity     1  True   
1543  1543  p         -61.9   -37.1  Favored   5   6  0.36   8  0.38  molprobity     1  True   
1544  1544  m         -72.4   -32.4  Favored   7   7  0.65  10  0.42  molprobity     1  True   
1545  1545  OUTLIER   -72.1   -41.3  Favored   8   9  0.65  12  0.44  molprobity     1  True   
1546  1546  mt        -64.3   -41.0  Favored  11   8  0.44  11  0.43  molprobity     1  True   
1547  1547  t-20      -68.1   -14.8  Favored   6   8  0.59  11  0.50  molprobity     1  True   
1548  1548  ?         -76.5   -25.5  Favored   5   5  0.52   7  0.40  molprobity     1  True   
1549  1549  m-85      -81.0   135.8  Favored   9  12  0.79  17  0.47  molprobity     1  True   
1550  1550  Cg_exo    -63.4   104.0  Allowed   7   8  0.42  11  0.47  molprobity     1  True   
1551  1551  ?         110.2    -2.3  Favored   3   4  0.89   5  0.44  molprobity     1  True   
1552  1552  t        -111.3   116.8  Favored   5   6  1.02   8  0.60  molprobity     1  True   
1553  1553  tt0      -134.2   137.4  Favored   6   9  0.63  12  0.57  molprobity     1  True   
1554  1554  t         -80.5   119.5  Favored   9   7  0.64  10  0.51  molprobity     1  True   
1555  1555  ?         -89.1   -69.2  Allowed   5   5  0.74   7  0.40  molprobity     1  True   
1556  1556  t        -109.4   116.8  Favored   9   7  0.68  10  0.41  molprobity     1  True   
1557  1557  p         -99.8   133.5  Favored   5   6  0.84   8  0.25  molprobity     1  True   
1558  1558  t70      -126.1    89.4  Favored   4   8  0.60  11  0.77  molprobity     1  True   
1559  1559  ?         -60.6   -44.8  Favored   5   5  1.26   8  0.58  molprobity     1  True   
1560  1560  Cg_endo   -49.4   -44.6  Favored   7   8  0.82  11  1.04  molprobity     1  True   
1561  1561  t         -93.8   -29.8  Favored   5   6  0.69   8  0.52  molprobity     1  True   
1562  1562  ?          99.5    25.1  Favored   3   4  0.89   5  0.34  molprobity     1  True   
1563  1563  mt-30    -115.0   132.7  Favored   8   9  0.77  12  0.46  molprobity     1  True   
1564  1564  mt       -120.8   126.3  Favored  11   8  0.65  11  0.29  molprobity     1  True   
1565  1565  mm        -91.7   118.5  Favored  11   8  0.92  11  0.54  molprobity     1  True   
1566  1566  t        -111.8   136.5  Favored   9   7  0.96  10  0.49  molprobity     1  True   
1567  1567  p        -109.7   114.6  Favored   9   7  1.18  10  0.70  molprobity     1  True   
1568  1568  t        -109.5   125.2  Favored   9   7  0.90  10  0.54  molprobity     1  True   
1569  1569  pt-20    -131.0   122.6  Favored   6   9  0.64  12  0.84  molprobity     1  True   
1570  1570  ?        -153.8   160.0  Favored   5   5  0.49   7  0.36  molprobity     1  True   
1571  1571  tt0       -77.6   -67.0  Allowed   6   9  0.72  12  0.59  molprobity     1  True   
1572  1572  t70       -76.0   139.3  Favored   4   8  0.59  11  0.69  molprobity     1  True   
1573  1573  m         -57.7   -39.9  Favored   5   6  0.50   8  0.26  molprobity     1  True   
1574  1574  tp10      -69.3   -37.0  Favored   6   9  0.40  12  0.72  molprobity     1  True   
1575  1575  m         -64.5   -42.2  Favored   7   7  0.63  10  0.54  molprobity     1  True   
1576  1576  tp        -63.2   -50.7  Favored  11   8  0.30  11  0.44  molprobity     1  True   
1577  1577  mt        -55.2   -49.2  Favored  11   8  0.54  11  0.45  molprobity     1  True   
1578  1578  mt-30     -63.4   -33.1  Favored   8   9  0.67  12  0.34  molprobity     1  True   
1579  1579  m         -70.7   -37.1  Favored   7   7  0.65  10  0.54  molprobity     1  True   
1580  1580  mt        -67.7   -38.1  Favored  11   8  0.48  11  0.37  molprobity     1  True   
1581  1581  tt0       -66.8   -35.8  Favored   6   9  0.68  12  0.44  molprobity     1  True   
1582  1582  m         -58.8   -42.9  Favored   5   6  0.81   8  0.81  molprobity     1  True   
1583  1583  t         -58.9   -37.7  Favored   9   7  0.43  10  0.72  molprobity     1  True   
1584  1584  mtm180    -75.6   -11.9  Favored  13  11  0.54  14  0.56  molprobity     1  True   
1585  1585  m-80      -91.2    -0.4  Favored   6   8  0.57  11  0.40  molprobity     1  True   
1586  1586  t         -79.6   120.4  Favored   9   7  0.84  10  1.25  molprobity     1  True   
1587  1587  pt-20     -38.7   -35.2  Allowed   6   9  1.19  12  1.14  molprobity     1  True   
1588  1588  ?        -102.3    12.2  Favored   3   4  1.43   5  0.48  molprobity     1  True   
1589  1589  t         -84.9   122.5  Favored   9   7  0.61  10  0.47  molprobity     1  True   
1590  1590  mt        -90.7   -57.7  Favored  11   8  0.77  11  0.74  molprobity     1  True   
1591  1591  ?        -142.3   129.5  Favored   5   5  1.44   7  0.41  molprobity     1  True   
1592  1592  p        -122.1   112.0  Favored   9   7  0.90  10  0.69  molprobity     1  True   
1593  1593  t         -88.1   132.5  Favored   5   6  0.78   8  0.46  molprobity     1  True   
1594  1594  tt        -91.6   114.8  Favored  11   8  0.77  11  0.80  molprobity     1  True   
1595  1595  t         -99.2    89.5  Allowed   9   7  1.00  10  0.74  molprobity     1  True   
1596  1596  t80      -152.0   137.5  Favored   9  13  0.60  18  0.60  molprobity     ?  False  
1597  1597  m170      -89.3   134.0  Favored   7  11  0.54  15  0.41  molprobity     ?  False  
1598  1598  pt20      -79.5   159.0  Favored   8   9  0.62  12  0.33  molprobity     ?  False  
1599  1599  tp-100    -79.7   -31.5  Favored   8   9  0.47  12  0.55  molprobity     ?  False  
1600  1600  mp0       -76.7    85.8  Favored   6   9  0.70  12  0.94  molprobity     ?  False  
1601  1601  pt-20     -62.6   -41.8  Favored   6   9  1.03  12  0.60  molprobity     ?  False  
1602  1602  mm100     -88.2   -38.2  Favored   8   9  0.60  12  0.41  molprobity     ?  False  
1603  1603  ?         102.0   156.9  Favored   3   4  1.30   5  0.50  molprobity     ?  False  
1604  1604  tt0       -88.6   115.0  Favored   6   9  0.68  12  0.66  molprobity     ?  False  
1605  1605  tt0      -125.0   -67.9  Allowed   6   9  1.01  12  0.63  molprobity     ?  False  
1606  1606  m        -127.4    94.9  Favored   7   7  0.59  11  0.72  molprobity     ?  False  
1607  1607  Cg_endo   -96.9    26.2  Allowed   7   8  0.59  11  0.52  molprobity     ?  False  
1608  1608  mtt180   -100.8   163.5  Favored  13  11  0.69  14  0.72  molprobity     ?  False  
1609  1609  m         -91.3   108.7  Favored   5   6  0.92   8  0.62  molprobity     ?  False  
1610  1610  p80      -134.6   -17.9  Allowed   7  11  0.40  15  0.35  molprobity     ?  False  
1611  1611  m80       -77.5   -16.2  Favored   7  11  0.68  15  0.61  molprobity     ?  False  
1612  1612  p-80     -147.2   138.9  Favored   7  11  0.98  15  0.53  molprobity     ?  False  
1613  1613  t60      -114.2   -25.0  Favored   7  11  0.39  15  0.67  molprobity     ?  False  
1614  1614  m-70       71.9   106.8  Allowed   7  11  0.44  15  0.67  molprobity     ?  False  
1615  1615  m-70          ?       ?  ?         7  11  0.63  12  0.44  molprobity     ?  False  
1616  1616  ptt?          ?       ?  ?        11   8  0.34  10  0.53  molprobity     ?  False  
1617  1617  m80      -125.3   -70.4  Allowed   7  11  0.46  15  0.39  molprobity     ?  False  
1618  1618  m         -68.4   -33.6  Favored   7   7  0.59  10  0.66  molprobity     ?  False  
1619  1619  t-20     -148.1   147.2  Favored   6   8  0.75  11  0.66  molprobity     ?  False  
1620  1620  OUTLIER   177.3   169.9  Allowed  10  16  0.82  23  0.71  molprobity     ?  False  
1621  1621  mt-30     -85.4   119.7  Favored   8   9  1.00  12  0.50  molprobity     1  True   
1622  1622  m        -129.1   102.6  Favored   9   7  1.10  10  0.65  molprobity     1  True   
1623  1623  m        -111.8   132.8  Favored   5   6  0.90   8  0.35  molprobity     1  True   
1624  1624  t         -83.6   141.7  Favored   5   6  1.35   8  0.65  molprobity     1  True   
1625  1625  mt       -124.4   131.6  Favored  11   8  0.96  11  0.60  molprobity     1  True   
1626  1626  t         -96.6   101.9  Favored   9   7  1.11  10  0.80  molprobity     1  True   
1627  1627  t         -89.8   106.8  Favored   9   7  1.16  10  0.60  molprobity     1  True   
1628  1628  OUTLIER   -88.8   117.0  Favored   8   9  0.96  12  1.05  molprobity     1  True   
1629  1629  ?        -140.7   174.1  Favored   5   5  0.66   7  0.40  molprobity     1  True   
1630  1630  mptt      -58.3   112.8  Allowed  13   9  0.69  11  0.93  molprobity     1  True   
1631  1631  m         -59.4   -33.4  Favored   5   6  0.54   8  0.67  molprobity     1  True   
1632  1632  pt-20     -75.4   -11.7  Favored   6   9  0.61  12  0.55  molprobity     1  True   
1633  1633  ttt180   -122.0     9.9  Favored  13  11  0.55  14  0.80  molprobity     1  True   
1634  1634  mm        -52.8   -41.4  Favored  11   8  0.49  11  0.52  molprobity     1  True   
1635  1635  m         -63.4   -39.9  Favored   5   6  0.57   8  0.34  molprobity     1  True   
1636  1636  m-20      -72.3   -42.0  Favored   4   8  0.52  11  0.70  molprobity     1  True   
1637  1637  mt        -62.8   -42.5  Favored  11   8  0.48  11  0.49  molprobity     1  True   
1638  1638  t         -58.6   -38.8  Favored   5   6  0.55   8  0.40  molprobity     1  True   
1639  1639  m         -75.0   -35.5  Favored   7   7  0.69  10  0.74  molprobity     1  True   
1640  1640  mt-30     -66.1   -45.0  Favored   8   9  0.92  12  0.55  molprobity     1  True   
1641  1641  mt        -69.0   -35.1  Favored  11   8  0.49  11  0.46  molprobity     1  True   
1642  1642  t-20      -69.2   -13.7  Favored   6   8  0.67  11  0.76  molprobity     1  True   
1643  1643  ?         -94.0     4.8  Favored   5   5  0.44   7  0.33  molprobity     1  True   
1644  1644  m-85      -87.1   149.3  Favored   9  12  0.68  17  0.55  molprobity     1  True   
1645  1645  Cg_exo    -61.1    99.9  Allowed   7   8  0.44  11  0.48  molprobity     1  True   
1646  1646  ?          85.2    15.7  Favored   3   4  1.08   5  0.17  molprobity     1  True   
1647  1647  m        -108.5   111.3  Favored   5   6  1.37   8  0.60  molprobity     1  True   
1648  1648  tt0      -122.0   139.7  Favored   6   9  0.75  12  0.43  molprobity     1  True   
1649  1649  t         -80.2   121.2  Favored   9   7  0.64  10  0.49  molprobity     1  True   
1650  1650  ?         -93.0   -43.6  Favored   5   5  0.55   7  0.33  molprobity     1  True   
1651  1651  t        -133.7   130.2  Favored   9   7  0.76  10  0.61  molprobity     1  True   
1652  1652  m        -115.4   130.3  Favored   5   6  0.78   8  0.45  molprobity     1  True   
1653  1653  t70      -133.9    89.3  Favored   4   8  0.73  11  0.75  molprobity     1  True   
1654  1654  ?         -58.9   -41.1  Favored   5   5  1.14   8  0.66  molprobity     1  True   
1655  1655  Cg_endo   -51.6   -45.0  Favored   7   8  0.68  11  0.85  molprobity     1  True   
1656  1656  m         -94.2    -4.3  Favored   5   6  0.35   8  0.47  molprobity     1  True   
1657  1657  ?          72.8    26.2  Favored   3   4  0.41   5  0.33  molprobity     1  True   
1658  1658  mt-30    -116.2   129.4  Favored   8   9  0.95  12  0.57  molprobity     1  True   
1659  1659  mt       -120.5   125.1  Favored  11   8  0.64  11  0.39  molprobity     1  True   
1660  1660  mm        -92.9   118.1  Favored  11   8  0.79  11  0.48  molprobity     1  True   
1661  1661  t        -119.5   130.1  Favored   9   7  0.91  10  0.49  molprobity     1  True   
1662  1662  t        -104.0   114.9  Favored   9   7  0.84  10  0.49  molprobity     1  True   
1663  1663  t        -100.8   122.1  Favored   9   7  0.80  10  0.59  molprobity     1  True   
1664  1664  pt-20    -107.3   134.9  Favored   6   9  0.76  12  0.67  molprobity     1  True   
1665  1665  ?        -159.6   163.2  Favored   5   5  0.78   7  0.43  molprobity     1  True   
1666  1666  tp10      -94.5   -58.1  Favored   6   9  0.60  12  0.61  molprobity     1  True   
1667  1667  m-20      -83.2   147.3  Favored   4   8  0.46  11  0.76  molprobity     1  True   
1668  1668  p         -67.1   -46.1  Favored   5   6  0.58   8  0.49  molprobity     1  True   
1669  1669  OUTLIER   -72.6   -35.1  Favored   6   9  0.76  12  0.77  molprobity     1  True   
1670  1670  m         -62.4   -35.7  Favored   7   7  0.49  10  0.48  molprobity     1  True   
1671  1671  tp        -63.3   -50.9  Favored  11   8  0.20  11  0.52  molprobity     1  True   
1672  1672  mt        -58.1   -48.5  Favored  11   8  0.37  11  0.42  molprobity     1  True   
1673  1673  mt-30     -52.2   -47.8  Favored   8   9  0.61  12  0.43  molprobity     1  True   
1674  1674  m         -65.0   -43.6  Favored   7   7  0.66  10  0.48  molprobity     1  True   
1675  1675  mt        -63.1   -38.8  Favored  11   8  0.46  11  0.34  molprobity     1  True   
1676  1676  mm-40     -62.3   -39.4  Favored   6   9  0.60  12  0.50  molprobity     1  True   
1677  1677  t         -65.1   -38.1  Favored   5   6  0.46   8  0.47  molprobity     1  True   
1678  1678  t         -58.0   -41.0  Favored   9   7  0.53  10  0.71  molprobity     1  True   
1679  1679  mtt-85    -65.8   -22.8  Favored  13  11  0.47  14  0.98  molprobity     1  True   
1680  1680  m-80      -83.6     1.9  Favored   6   8  0.56  11  0.50  molprobity     1  True   
1681  1681  t         -78.2   137.2  Favored   9   7  0.87  10  1.37  molprobity     1  True   
1682  1682  tt0       -43.0   -55.9  Favored   6   9  1.02  12  1.30  molprobity     1  True   
1683  1683  ?         -74.4    -7.4  Favored   3   4  0.97   5  0.32  molprobity     1  True   
1684  1684  t         -89.0   144.7  Favored   9   7  0.63  10  0.38  molprobity     1  True   
1685  1685  mt       -107.1   -58.5  Allowed  11   8  0.52  11  0.52  molprobity     1  True   
1686  1686  ?        -141.0   133.4  Favored   5   5  0.91   7  0.32  molprobity     1  True   
1687  1687  t        -108.9   109.0  Favored   9   7  0.77  10  0.55  molprobity     1  True   
1688  1688  m         -92.1   128.0  Favored   5   6  1.03   8  0.34  molprobity     1  True   
1689  1689  OUTLIER   -91.3   111.1  Favored  11   8  0.70  11  0.61  molprobity     1  True   
1690  1690  t         -71.6   -53.6  Favored   9   7  1.17  10  0.54  molprobity     1  True   
1691  1691  t80       -99.7    84.0  Favored   9  13  0.82  18  0.53  molprobity     ?  False  
1692  1692  t-80     -131.9   106.3  Favored   7  11  0.67  15  0.39  molprobity     ?  False  
1693  1693  mm100    -123.2   110.2  Favored   8   9  0.69  12  0.78  molprobity     ?  False  
1694  1694  tt0       -90.5   -67.3  Allowed   8   9  0.51  12  0.41  molprobity     ?  False  
1695  1695  tp10     -165.4   138.6  Favored   6   9  0.61  12  0.72  molprobity     ?  False  
1696  1696  mt-10     -83.5   -38.4  Favored   6   9  0.70  12  0.47  molprobity     ?  False  
1697  1697  pt20     -124.9   177.8  Favored   8   9  0.55  12  0.52  molprobity     ?  False  
1698  1698  ?         106.3   -69.0  Allowed   3   4  0.88   5  0.47  molprobity     ?  False  
1699  1699  tt0       -83.8   -59.7  Favored   6   9  1.00  12  0.62  molprobity     ?  False  
1700  1700  mm-40     -93.1   151.8  Favored   6   9  0.86  12  0.52  molprobity     ?  False  
1701  1701  m        -148.7    83.8  Favored   7   7  0.62  11  0.64  molprobity     ?  False  
1702  1702  Cg_exo    -73.7   -43.6  Allowed   7   8  0.58  11  0.52  molprobity     ?  False  
1703  1703  ptt180   -153.2   143.4  Favored  13  11  0.84  14  0.54  molprobity     ?  False  
1704  1704  m        -113.0    88.1  Favored   5   6  0.86   8  0.49  molprobity     ?  False  
1705  1705  m170      -98.4    84.9  Favored   7  11  0.77  15  0.48  molprobity     ?  False  
1706  1706  p80      -105.1    76.4  Allowed   7  11  0.82  15  0.80  molprobity     ?  False  
1707  1707  p-80      -72.7   125.1  Favored   7  11  0.84  15  0.70  molprobity     ?  False  
1708  1708  m80       -78.1    95.6  Favored   7  11  0.57  15  0.76  molprobity     ?  False  
1709  1709  m80        69.5   -71.9  Allowed   7  11  0.51  15  0.70  molprobity     ?  False  
1710  1710  t-80          ?       ?  ?         7  11  0.52  12  0.82  molprobity     ?  False  
1711  1711  tpp           ?       ?  ?        11   8  0.50  10  0.27  molprobity     ?  False  
1712  1712  m-70      -97.7   -37.6  Favored   7  11  0.36  15  0.44  molprobity     ?  False  
1713  1713  m         -64.4   -53.2  Favored   7   7  0.59  10  0.46  molprobity     ?  False  
1714  1714  m120      -98.4    92.8  Favored   6   8  1.05  11  0.49  molprobity     ?  False  
1715  1715  OUTLIER  -108.9   162.1  Favored  10  16  0.91  23  0.82  molprobity     ?  False  
1716  1716  mt-30     -72.7   120.2  Favored   8   9  0.96  12  0.48  molprobity     1  True   
1717  1717  m        -119.2   130.5  Favored   9   7  1.33  10  0.64  molprobity     1  True   
1718  1718  p        -143.0   148.2  Favored   5   6  1.23   8  0.39  molprobity     1  True   
1719  1719  t        -104.5   150.6  Favored   5   6  1.62   8  0.60  molprobity     1  True   
1720  1720  mt       -124.3   122.7  Favored  11   8  1.18  11  0.60  molprobity     1  True   
1721  1721  t         -90.1   101.6  Favored   9   7  1.25  10  0.90  molprobity     1  True   
1722  1722  t         -97.0   115.4  Favored   9   7  1.14  10  0.44  molprobity     1  True   
1723  1723  tt0       -92.0   121.8  Favored   8   9  1.04  12  0.58  molprobity     1  True   
1724  1724  ?        -139.0   173.1  Favored   5   5  0.81   7  0.41  molprobity     1  True   
1725  1725  OUTLIER   -59.9   125.5  Favored  13   9  0.53  11  0.71  molprobity     1  True   
1726  1726  p         -64.8   -27.4  Favored   5   6  0.63   8  0.72  molprobity     1  True   
1727  1727  pt-20     -79.0   -10.8  Favored   6   9  0.64  12  0.44  molprobity     1  True   
1728  1728  ttt180   -121.8    18.7  Favored  13  11  0.85  14  1.18  molprobity     1  True   
1729  1729  mm        -62.3   -47.5  Favored  11   8  0.43  11  0.46  molprobity     1  True   
1730  1730  m         -61.2   -40.9  Favored   5   6  0.67   8  0.58  molprobity     1  True   
1731  1731  t70       -64.3   -57.4  Favored   4   8  0.49  11  0.65  molprobity     1  True   
1732  1732  mt        -64.9   -34.9  Favored  11   8  0.50  11  0.43  molprobity     1  True   
1733  1733  t         -63.9   -30.7  Favored   5   6  0.80   8  0.46  molprobity     1  True   
1734  1734  m         -81.8   -28.4  Favored   7   7  0.67  10  0.66  molprobity     1  True   
1735  1735  mt-30     -73.5   -47.5  Favored   8   9  1.07  12  0.49  molprobity     1  True   
1736  1736  mt        -70.2   -32.9  Favored  11   8  0.62  11  0.29  molprobity     1  True   
1737  1737  t30       -81.8     6.5  Favored   6   8  0.90  11  0.74  molprobity     1  True   
1738  1738  ?        -102.5     9.3  Favored   5   5  0.45   7  0.15  molprobity     1  True   
1739  1739  m-85     -103.3   150.1  Favored   9  12  0.86  17  0.52  molprobity     1  True   
1740  1740  Cg_exo    -69.8   114.4  Favored   7   8  0.37  11  0.48  molprobity     1  True   
1741  1741  ?          89.4    -0.3  Favored   3   4  0.87   5  0.42  molprobity     1  True   
1742  1742  t        -115.1   112.7  Favored   5   6  1.17   8  0.82  molprobity     1  True   
1743  1743  tt0      -132.6   143.4  Favored   6   9  1.11  12  0.51  molprobity     1  True   
1744  1744  t         -86.2   128.0  Favored   9   7  0.67  10  0.48  molprobity     1  True   
1745  1745  ?        -100.4   -54.3  Favored   5   5  0.57   7  0.31  molprobity     1  True   
1746  1746  t        -121.5   124.0  Favored   9   7  0.84  10  0.51  molprobity     1  True   
1747  1747  m        -114.5   106.4  Favored   5   6  1.13   8  0.44  molprobity     1  True   
1748  1748  m-20      -99.3    96.6  Favored   4   8  0.73  11  1.07  molprobity     1  True   
1749  1749  ?         -57.5   -48.7  Favored   5   5  1.28   8  0.70  molprobity     1  True   
1750  1750  Cg_endo   -57.0   -35.4  Favored   7   8  0.80  11  0.81  molprobity     1  True   
1751  1751  m         -96.3    -9.1  Favored   5   6  0.64   8  0.69  molprobity     1  True   
1752  1752  ?          72.3    26.0  Favored   3   4  0.62   5  0.63  molprobity     1  True   
1753  1753  mt-30    -102.2   132.1  Favored   8   9  0.96  12  0.56  molprobity     1  True   
1754  1754  mt       -125.7   117.6  Favored  11   8  0.84  11  0.43  molprobity     1  True   
1755  1755  mm        -91.7   117.0  Favored  11   8  0.98  11  0.59  molprobity     1  True   
1756  1756  t        -117.4   122.2  Favored   9   7  0.96  10  0.34  molprobity     1  True   
1757  1757  t         -97.3   108.7  Favored   9   7  0.88  10  0.57  molprobity     1  True   
1758  1758  t        -105.2   115.8  Favored   9   7  1.20  10  0.61  molprobity     1  True   
1759  1759  pt-20    -119.4   122.6  Favored   6   9  0.95  12  0.96  molprobity     1  True   
1760  1760  ?        -146.0   144.9  Favored   5   5  1.11   7  0.59  molprobity     1  True   
1761  1761  tt0       -74.6   -57.8  Favored   6   9  0.94  12  0.55  molprobity     1  True   
1762  1762  m-20      -81.7   147.5  Favored   4   8  0.48  11  0.75  molprobity     1  True   
1763  1763  t         -62.5   -48.2  Favored   5   6  0.65   8  0.52  molprobity     1  True   
1764  1764  OUTLIER   -68.7   -39.6  Favored   6   9  1.11  12  0.70  molprobity     1  True   
1765  1765  m         -62.2   -35.8  Favored   7   7  0.47  10  0.45  molprobity     1  True   
1766  1766  tp        -62.0   -50.0  Favored  11   8  0.26  11  0.41  molprobity     1  True   
1767  1767  mt        -60.9   -43.5  Favored  11   8  0.46  11  0.44  molprobity     1  True   
1768  1768  mm100     -63.1   -34.5  Favored   8   9  0.62  12  0.51  molprobity     1  True   
1769  1769  m         -75.9   -42.0  Favored   7   7  0.60  10  0.42  molprobity     1  True   
1770  1770  mt        -62.7   -37.9  Favored  11   8  0.46  11  0.50  molprobity     1  True   
1771  1771  pt-20     -66.1   -38.5  Favored   6   9  0.68  12  0.95  molprobity     1  True   
1772  1772  m         -58.0   -43.4  Favored   5   6  0.89   8  0.98  molprobity     1  True   
1773  1773  t         -60.2   -42.0  Favored   9   7  0.48  10  0.88  molprobity     1  True   
1774  1774  mtp180    -78.8   -10.1  Favored  13  11  0.43  14  0.69  molprobity     1  True   
1775  1775  m-20      -85.5    -6.8  Favored   6   8  0.54  11  0.34  molprobity     1  True   
1776  1776  t         -72.2   115.4  Favored   9   7  0.93  10  0.61  molprobity     1  True   
1777  1777  mt-10     -75.9   108.2  Favored   6   9  1.76  12  1.07  molprobity     1  True   
1778  1778  ?         146.8   -11.2  Allowed   3   4  1.12   5  0.97  molprobity     1  True   
1779  1779  p         -80.6   143.5  Favored   9   7  0.69  10  0.47  molprobity     1  True   
1780  1780  mt       -102.6   -54.8  Favored  11   8  0.46  11  0.33  molprobity     1  True   
1781  1781  ?        -153.8   132.4  Favored   5   5  0.87   7  0.32  molprobity     1  True   
1782  1782  t        -109.9   121.8  Favored   9   7  0.69  10  0.51  molprobity     1  True   
1783  1783  t        -103.5   118.2  Favored   5   6  0.95   8  0.68  molprobity     1  True   
1784  1784  OUTLIER   -83.6   107.7  Favored  11   8  0.64  11  0.57  molprobity     1  True   
1785  1785  t         -84.3    85.3  Favored   9   7  1.04  10  1.08  molprobity     1  True   
1786  1786  t80      -160.6   -39.5  OUTLIER   9  13  0.46  18  1.04  molprobity     ?  False  
1787  1787  m170       75.8   159.3  Allowed   7  11  0.69  15  0.61  molprobity     ?  False  
1788  1788  tp-100   -122.0   -47.4  Favored   8   9  0.69  12  0.37  molprobity     ?  False  
1789  1789  pt20      -85.2    91.1  Favored   8   9  0.85  12  0.96  molprobity     ?  False  
1790  1790  tp10     -130.5   -54.6  Allowed   6   9  0.86  12  0.85  molprobity     ?  False  
1791  1791  pt-20     -63.9   -32.9  Favored   6   9  0.62  12  0.57  molprobity     ?  False  
1792  1792  pt20      -92.2    -0.2  Favored   8   9  0.66  12  0.47  molprobity     ?  False  
1793  1793  ?         133.6   125.6  Favored   3   4  1.39   5  0.66  molprobity     ?  False  
1794  1794  pt-20     -80.4   -20.7  Favored   6   9  0.69  12  0.54  molprobity     ?  False  
1795  1795  mm-40     -84.1   136.6  Favored   6   9  1.10  12  0.76  molprobity     ?  False  
1796  1796  p         -90.3   117.6  Favored   7   7  1.11  11  0.64  molprobity     ?  False  
1797  1797  Cg_endo   -84.8  -164.7  Allowed   7   8  0.78  11  0.40  molprobity     ?  False  
1798  1798  mtm180    -74.3    98.3  Favored  13  11  0.72  14  0.71  molprobity     ?  False  
1799  1799  m         -72.8   128.4  Favored   5   6  0.79   8  0.93  molprobity     ?  False  
1800  1800  m80        73.5   102.4  Allowed   7  11  0.58  15  0.62  molprobity     ?  False  
1801  1801  t-80      -81.1    80.7  Favored   7  11  0.58  15  0.75  molprobity     ?  False  
1802  1802  t-80     -100.1   -16.2  Favored   7  11  0.50  15  0.86  molprobity     ?  False  
1803  1803  m-70     -126.1    97.3  Favored   7  11  0.55  15  0.35  molprobity     ?  False  
1804  1804  t-80      -77.2   100.7  Favored   7  11  0.82  15  0.57  molprobity     ?  False  
1805  1805  p-80          ?       ?  ?         7  11  0.62  12  0.50  molprobity     ?  False  
1806  1806  OUTLIER       ?       ?  ?        11   8  0.35  10  0.59  molprobity     ?  False  
1807  1807  p-80     -135.6    18.0  Favored   7  11  0.66  15  0.51  molprobity     ?  False  
1808  1808  m         -90.8   157.1  Favored   7   7  0.78  10  0.84  molprobity     ?  False  
1809  1809  t-20      -83.8    85.9  Favored   6   8  0.89  11  1.03  molprobity     ?  False  
1810  1810  OUTLIER   -54.7   113.2  Allowed  10  16  0.72  23  0.93  molprobity     ?  False  
1811  1811  pt20      -67.5   123.6  Favored   8   9  0.99  12  0.89  molprobity     1  True   
1812  1812  m        -102.1   148.6  Favored   9   7  0.98  10  0.56  molprobity     1  True   
1813  1813  m        -145.2   126.5  Favored   5   6  0.83   8  0.47  molprobity     1  True   
1814  1814  t         -88.5   135.1  Favored   5   6  1.46   8  0.74  molprobity     1  True   
1815  1815  mt       -115.5   134.1  Favored  11   8  1.13  11  0.59  molprobity     1  True   
1816  1816  t         -94.8   101.4  Favored   9   7  1.27  10  0.83  molprobity     1  True   
1817  1817  t         -95.0   105.4  Favored   9   7  1.12  10  0.54  molprobity     1  True   
1818  1818  tp-100    -85.5   114.3  Favored   8   9  1.01  12  0.68  molprobity     1  True   
1819  1819  ?        -136.5   172.2  Favored   5   5  0.78   7  0.59  molprobity     1  True   
1820  1820  mptp?     -55.9   116.4  Favored  13   9  0.45  11  0.82  molprobity     1  True   
1821  1821  p         -60.0   -28.6  Favored   5   6  0.63   8  0.84  molprobity     1  True   
1822  1822  pt-20     -79.0   -12.4  Favored   6   9  0.82  12  0.64  molprobity     1  True   
1823  1823  ttt180   -124.0    17.5  Favored  13  11  0.45  14  1.04  molprobity     1  True   
1824  1824  mm        -60.3   -50.2  Favored  11   8  0.44  11  0.40  molprobity     1  True   
1825  1825  m         -60.2   -36.7  Favored   5   6  0.67   8  0.52  molprobity     1  True   
1826  1826  m-20      -64.7   -53.7  Favored   4   8  0.46  11  0.83  molprobity     1  True   
1827  1827  mt        -65.7   -35.0  Favored  11   8  0.38  11  0.36  molprobity     1  True   
1828  1828  m         -61.6   -31.4  Favored   5   6  0.58   8  0.19  molprobity     1  True   
1829  1829  m         -77.8   -34.8  Favored   7   7  0.83  10  0.85  molprobity     1  True   
1830  1830  mt-30     -72.8   -42.9  Favored   8   9  0.94  12  0.79  molprobity     1  True   
1831  1831  mt        -66.3   -32.5  Favored  11   8  0.47  11  0.26  molprobity     1  True   
1832  1832  m-80      -83.0     2.0  Favored   6   8  0.59  11  0.56  molprobity     1  True   
1833  1833  ?         -92.2    -8.7  Favored   5   5  0.56   7  0.32  molprobity     1  True   
1834  1834  m-85      -92.4   141.4  Favored   9  12  0.90  17  0.48  molprobity     1  True   
1835  1835  Cg_exo    -70.7   110.2  Favored   7   8  0.41  11  0.47  molprobity     1  True   
1836  1836  ?          98.9     7.7  Favored   3   4  0.74   5  0.52  molprobity     1  True   
1837  1837  t        -122.5   121.2  Favored   5   6  1.09   8  0.80  molprobity     1  True   
1838  1838  tt0      -139.4   141.6  Favored   6   9  0.82  12  0.48  molprobity     1  True   
1839  1839  t         -84.4   130.5  Favored   9   7  0.77  10  0.60  molprobity     1  True   
1840  1840  ?         -99.6   -66.9  Allowed   5   5  0.77   7  0.44  molprobity     1  True   
1841  1841  t        -106.9   132.4  Favored   9   7  0.78  10  0.49  molprobity     1  True   
1842  1842  m        -119.8   121.8  Favored   5   6  0.85   8  0.46  molprobity     1  True   
1843  1843  m-20     -114.7    93.1  Favored   4   8  0.80  11  0.91  molprobity     1  True   
1844  1844  ?         -56.0   -42.5  Favored   5   5  1.47   8  0.66  molprobity     1  True   
1845  1845  Cg_endo   -52.3   -44.6  Favored   7   8  0.77  11  0.84  molprobity     1  True   
1846  1846  m         -98.3   -12.2  Favored   5   6  0.43   8  0.56  molprobity     1  True   
1847  1847  ?          76.7    26.4  Favored   3   4  0.81   5  0.40  molprobity     1  True   
1848  1848  tt0       -97.9   128.9  Favored   8   9  1.01  12  0.50  molprobity     1  True   
1849  1849  mt       -120.5   116.9  Favored  11   8  0.83  11  0.42  molprobity     1  True   
1850  1850  mm        -90.2   118.0  Favored  11   8  0.87  11  0.50  molprobity     1  True   
1851  1851  t        -116.6   129.8  Favored   9   7  1.05  10  0.56  molprobity     1  True   
1852  1852  t        -107.2   113.1  Favored   9   7  1.08  10  0.58  molprobity     1  True   
1853  1853  t        -106.4   126.3  Favored   9   7  1.05  10  0.59  molprobity     1  True   
1854  1854  pt-20    -131.9   122.1  Favored   6   9  0.71  12  0.83  molprobity     1  True   
1855  1855  ?        -142.2   145.1  Favored   5   5  0.46   7  1.04  molprobity     1  True   
1856  1856  tp10      -53.4   -62.2  Allowed   6   9  0.69  12  0.97  molprobity     1  True   
1857  1857  t70       -96.2   144.9  Favored   4   8  0.55  11  0.64  molprobity     1  True   
1858  1858  m         -54.4   -39.0  Favored   5   6  0.62   8  0.53  molprobity     1  True   
1859  1859  tt0       -76.5   -31.3  Favored   6   9  0.74  12  0.42  molprobity     1  True   
1860  1860  m         -62.3   -36.9  Favored   7   7  0.38  10  0.50  molprobity     1  True   
1861  1861  tp        -62.9   -50.7  Favored  11   8  0.23  11  0.50  molprobity     1  True   
1862  1862  mt        -55.6   -47.5  Favored  11   8  0.44  11  0.43  molprobity     1  True   
1863  1863  mm-40     -63.8   -39.7  Favored   8   9  0.49  12  0.27  molprobity     1  True   
1864  1864  m         -70.1   -36.9  Favored   7   7  0.73  10  0.45  molprobity     1  True   
1865  1865  mt        -65.9   -34.9  Favored  11   8  0.55  11  0.46  molprobity     1  True   
1866  1866  tt0       -59.4   -44.1  Favored   6   9  0.56  12  0.67  molprobity     1  True   
1867  1867  m         -57.9   -43.4  Favored   5   6  0.90   8  0.67  molprobity     1  True   
1868  1868  t         -59.2   -40.8  Favored   9   7  0.35  10  0.62  molprobity     1  True   
1869  1869  mtt180    -67.8   -27.1  Favored  13  11  0.47  14  0.73  molprobity     1  True   
1870  1870  m-20      -77.7    -8.2  Favored   6   8  0.52  11  0.41  molprobity     1  True   
1871  1871  t         -75.8   125.1  Favored   9   7  0.55  10  0.50  molprobity     1  True   
1872  1872  mt-10     -72.8   116.8  Favored   6   9  1.85  12  0.86  molprobity     1  True   
1873  1873  ?         131.3    -7.6  Favored   3   4  1.48   5  0.75  molprobity     1  True   
1874  1874  t         -85.0   136.7  Favored   9   7  0.66  10  0.42  molprobity     1  True   
1875  1875  mt       -101.9   -42.0  Favored  11   8  0.51  11  0.37  molprobity     1  True   
1876  1876  ?        -157.4   129.8  Favored   5   5  0.82   7  0.20  molprobity     1  True   
1877  1877  t        -107.2   109.2  Favored   9   7  0.75  10  0.68  molprobity     1  True   
1878  1878  m        -104.9   146.1  Favored   5   6  0.76   8  0.56  molprobity     1  True   
1879  1879  mt        -95.4   116.7  Favored  11   8  0.39  11  0.52  molprobity     1  True   
1880  1880  t         -67.3   -44.8  Favored   9   7  1.04  10  0.86  molprobity     1  True   
1881  1881  t80      -131.8   123.6  Favored   9  13  1.16  18  0.59  molprobity     ?  False  
1882  1882  p80      -100.7   165.1  Favored   7  11  0.92  15  0.72  molprobity     ?  False  
1883  1883  pt20      -62.1   152.4  Favored   8   9  0.69  12  0.46  molprobity     ?  False  
1884  1884  mt-30     -75.6   101.9  Favored   8   9  0.84  12  0.62  molprobity     ?  False  
1885  1885  mt-10     -95.8   169.3  Favored   6   9  0.78  12  0.61  molprobity     ?  False  
1886  1886  tt0       -76.9   -51.0  Favored   6   9  0.69  12  0.65  molprobity     ?  False  
1887  1887  mt-30      61.6  -174.0  Allowed   8   9  0.53  12  0.38  molprobity     ?  False  
1888  1888  ?         -95.1  -165.7  Favored   3   4  1.03   5  0.52  molprobity     ?  False  
1889  1889  pt-20     -77.7   -36.9  Favored   6   9  0.50  12  0.77  molprobity     ?  False  
1890  1890  mm-40     -82.5   142.3  Favored   6   9  0.82  12  0.64  molprobity     ?  False  
1891  1891  p        -132.7   103.7  Favored   7   7  0.58  11  0.60  molprobity     ?  False  
1892  1892  Cg_endo   -79.2   168.5  Favored   7   8  0.64  11  0.47  molprobity     ?  False  
1893  1893  mtp180    -87.2   -67.5  Allowed  13  11  0.65  14  0.94  molprobity     ?  False  
1894  1894  m        -113.5   -41.9  Favored   5   6  0.57   8  1.39  molprobity     ?  False  
1895  1895  t-80      177.3  -152.9  OUTLIER   7  11  0.54  15  1.01  molprobity     ?  False  
1896  1896  t60       -67.7   100.7  Allowed   7  11  0.47  15  0.83  molprobity     ?  False  
1897  1897  m-70       75.0   174.5  Allowed   7  11  0.63  15  0.61  molprobity     ?  False  
1898  1898  m-70      -96.1   -66.8  Allowed   7  11  0.75  15  1.20  molprobity     ?  False  
1899  1899  t60      -162.9    13.9  Allowed   7  11  0.58  15  1.20  molprobity     ?  False  
1900  1900  m-70          ?       ?  ?         7  11  1.18  12  1.26  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1    31  O      1  0.43  2.12  
  2    38  OD2    2  0.44  2.11  
  3    39  N      3  0.49  2.22  
  4    40  HD2    3  0.49  2.22  
  5    40  HG2    2  0.44  2.11  
  6    48  HA     1  0.43  2.12  
  7    53  O      4  0.46  2.11  
  8    57  HG12   4  0.46  2.11  
  9   103  SG     5  0.47  2.48  
 10   117  O      6  0.44  2.13  
 11   121  HG     6  0.44  2.13  
 12   126  O      7  0.43  2.13  
 13   133  OD1    8  0.55  2.01  
 14   134  N      9  0.53  2.19  
 15   135  HG2    8  0.55  2.01  
 16   135  HD2    9  0.53  2.19  
 17   143  HA     7  0.43  2.13  
 18   151  HD11   5  0.47  2.48  
 19   212  O     10  0.45  2.12  
 20   216  HG    10  0.45  2.12  
 21   229  N     11  0.50  2.22  
 22   230  HD2   11  0.50  2.22  
 23   242  HB2   12  0.45  2.12  
 24   245  OG1   12  0.45  2.12  
 25   290  CE3   13  0.48  2.43  
 26   290  CZ3   14  0.47  2.44  
 27   323  OD2   15  0.42  2.14  
 28   324  N     16  0.52  2.19  
 29   325  HD2   16  0.52  2.19  
 30   325  HG2   15  0.42  2.14  
 31   334  HB3   13  0.48  2.43  
 32   334  HB3   14  0.47  2.44  
 33   388  SG    17  0.60  2.36  
 34   395  HD3   18  0.40  2.16  
 35   399  HD11  19  0.41  1.92  
 36   419  N     20  0.50  2.21  
 37   420  HD2   20  0.50  2.21  
 38   422  HA2   19  0.41  1.92  
 39   428  HB    17  0.60  2.36  
 40   433  O     21  0.55  2.02  
 41   433  OG    22  0.52  2.03  
 42   437  HG12  21  0.55  2.02  
 43   448  O     18  0.40  2.16  
 44   460  HB2   22  0.52  2.03  
 45   483  SG    23  0.42  2.55  
 46   497  O     24  0.41  2.15  
 47   501  HG    24  0.41  2.15  
 48   513  OD1   25  0.56  2.01  
 49   514  N     26  0.49  2.22  
 50   515  HG2   25  0.56  2.01  
 51   515  HD2   26  0.49  2.22  
 52   527  OD2   27  0.57  1.99  
 53   528  O     28  0.45  2.12  
 54   529  HG2   27  0.57  1.99  
 55   531  HD11  23  0.42  2.55  
 56   532  HG12  28  0.45  2.12  
 57   535  O     29  0.40  2.16  
 58   539  HG3   29  0.40  2.16  
 59   578  SG    30  0.44  2.53  
 60   592  O     31  0.44  2.13  
 61   596  HG    31  0.44  2.13  
 62   609  N     32  0.47  2.25  
 63   610  HD2   32  0.47  2.25  
 64   618  HB    30  0.44  2.53  
 65   649  HB2   33  0.47  2.10  
 66   652  O     33  0.47  2.10  
 67   666  SD    34  0.47  2.86  
 68   667  N     34  0.47  2.86  
 69   668  HB    35  0.45  2.11  
 70   670  CE3   36  0.56  2.35  
 71   670  CZ3   37  0.44  2.47  
 72   673  SG    38  0.51  2.46  
 73   687  O     39  0.46  2.09  
 74   691  HG    39  0.46  2.09  
 75   704  N     40  0.50  2.21  
 76   705  HD2   40  0.50  2.21  
 77   713  HB    38  0.51  2.46  
 78   714  HB3   36  0.56  2.35  
 79   714  HB3   37  0.44  2.47  
 80   716  OE1   35  0.45  2.11  
 81   718  O     41  0.42  2.14  
 82   722  HG13  41  0.42  2.14  
 83   782  O     42  0.45  2.11  
 84   786  HG    42  0.45  2.11  
 85   789  HB2   43  0.42  1.90  
 86   792  HB3   43  0.42  1.90  
 87   798  OD1   44  0.54  2.02  
 88   799  N     45  0.47  2.25  
 89   800  HG2   44  0.54  2.02  
 90   800  HD2   45  0.47  2.25  
 91   838  HE21  46  0.48  1.68  
 92   838  HA    46  0.48  1.68  
 93   864  O     47  0.43  2.12  
 94   886  O     48  0.47  2.09  
 95   893  OD2   49  0.52  2.04  
 96   894  N     50  0.48  2.23  
 97   895  HG2   49  0.52  2.04  
 98   895  HD2   50  0.48  2.23  
 99   903  HA    48  0.47  2.09  
100   912  O     51  0.40  2.16  
101   916  HG3   51  0.40  2.16  
102   930  HB    47  0.43  2.12  
103   957  HA    52  0.41  2.15  
104   958  SG    53  0.45  2.51  
105   988  OD2   54  0.51  2.05  
106   989  N     55  0.48  2.23  
107   990  HG2   54  0.51  2.05  
108   990  HD2   55  0.48  2.23  
109   998  O     52  0.41  2.15  
110  1006  HD21  53  0.45  2.51  
111  1047  HB2   56  0.42  2.15  
112  1053  SG    57  0.43  2.53  
113  1067  O     58  0.48  2.08  
114  1071  HG    58  0.48  2.08  
115  1083  OD2   59  0.41  2.15  
116  1084  N     60  0.48  2.22  
117  1085  HD2   60  0.48  2.22  
118  1085  HG2   59  0.41  2.15  
119  1093  HB    57  0.43  2.53  
120  1096  O     56  0.42  2.15  
121  1162  O     61  0.50  2.05  
122  1166  HG    61  0.50  2.05  
123  1179  N     62  0.50  2.21  
124  1180  HD2   62  0.50  2.21  
125  1243  SG    63  0.45  2.52  
126  1257  O     64  0.40  2.16  
127  1261  HG    64  0.40  2.16  
128  1264  HB2   65  0.45  1.87  
129  1267  HB3   65  0.45  1.87  
130  1274  N     66  0.50  2.22  
131  1275  HD2   66  0.50  2.22  
132  1291  HD11  63  0.45  2.52  
133  1338  SG    67  0.43  2.54  
134  1338  SG    68  0.41  2.55  
135  1344  HB1   69  0.40  1.92  
136  1352  O     70  0.48  2.09  
137  1352  HD13  69  0.40  1.92  
138  1356  HG    70  0.48  2.09  
139  1359  HB2   71  0.42  1.91  
140  1361  O     72  0.42  2.15  
141  1362  HB2   71  0.42  1.91  
142  1369  N     73  0.44  2.27  
143  1370  HD2   73  0.44  2.27  
144  1378  HB    67  0.43  2.54  
145  1378  HA    72  0.42  2.15  
146  1386  HD11  68  0.41  2.55  
147  1440  HD3   74  0.41  2.16  
148  1447  O     75  0.41  2.15  
149  1451  HG    75  0.41  2.15  
150  1463  OD2   76  0.43  2.14  
151  1464  N     77  0.50  2.21  
152  1465  HD2   77  0.50  2.21  
153  1465  HG2   76  0.43  2.14  
154  1493  O     74  0.41  2.16  
155  1510  O     78  0.44  2.13  
156  1512  HD3   78  0.44  2.13  
157  1542  O     79  0.44  2.13  
158  1546  HG    79  0.44  2.13  
159  1558  OD1   80  0.44  2.12  
160  1559  N     81  0.50  2.22  
161  1560  HD2   81  0.50  2.22  
162  1560  HG2   80  0.44  2.12  
163  1573  O     82  0.46  2.11  
164  1577  HG13  82  0.46  2.11  
165  1633  O     83  0.41  2.16  
166  1637  O     84  0.42  2.13  
167  1637  HG13  83  0.41  2.16  
168  1641  HG    84  0.42  2.13  
169  1653  OD2   85  0.44  2.13  
170  1654  N     86  0.50  2.21  
171  1655  HD2   86  0.50  2.21  
172  1655  HG2   85  0.44  2.13  
173  1749  N     87  0.45  2.25  
174  1750  HD2   87  0.45  2.25  
175  1762  HB3   88  0.41  2.14  
176  1764  OE1   88  0.41  2.14  
177  1813  SG    89  0.45  2.51  
178  1844  N     90  0.50  2.21  
179  1845  HD2   90  0.50  2.21  
180  1861  HD21  89  0.45  2.51  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  3        ?     
 2  2        ?     
 3  outlier  ?     
 4  1        ?     
 5  1        True  
 6  2        ?     
 7  2        True  
 8  1        ?     
 9  1        ?     
10  outlier  ?     
11  1        ?     
12  1        ?     
13  outlier  ?     
14  1        ?     
15  3        ?     
16  outlier  ?     
17  1        ?     
18  3        True  
19  2        ?     
20  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  70
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.440
_pdbx_vrpt_cyrange_domain.medoid_model        5
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.548
_pdbx_vrpt_cyrange_domain.residue_string      A:6-A:75
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           3
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           912
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           912
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            912
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  THR   3  0.191  
 2  A  ASN   4  0.171  
 3  A  TRP   5  0.110  
 4  A  GLN   6  0.063  
 5  A  VAL   7  0.025  
 6  A  CYS   8  0.020  
 7  A  SER   9  0.019  
 8  A  LEU  10  0.019  
 9  A  VAL  11  0.020  
10  A  VAL  12  0.019  
11  A  GLN  13  0.022  
12  A  ALA  14  0.022  
13  A  LYS  15  0.025  
14  A  SER  16  0.021  
15  A  GLU  17  0.020  
16  A  ARG  18  0.017  
17  A  ILE  19  0.016  
18  A  SER  20  0.015  
19  A  ASP  21  0.014  
20  A  ILE  22  0.013  
21  A  SER  23  0.012  
22  A  THR  24  0.013  
23  A  GLN  25  0.016  
24  A  LEU  26  0.020  
25  A  ASN  27  0.027  
26  A  ALA  28  0.035  
27  A  PHE  29  0.040  
28  A  PRO  30  0.040  
29  A  GLY  31  0.035  
30  A  CYS  32  0.032  
31  A  GLU  33  0.038  
32  A  VAL  34  0.046  
33  A  ALA  35  0.054  
34  A  VAL  36  0.055  
35  A  SER  37  0.047  
36  A  ASP  38  0.036  
37  A  ALA  39  0.024  
38  A  PRO  40  0.026  
39  A  SER  41  0.027  
40  A  GLY  42  0.025  
41  A  GLN  43  0.019  
42  A  LEU  44  0.016  
43  A  ILE  45  0.016  
44  A  VAL  46  0.016  
45  A  VAL  47  0.016  
46  A  VAL  48  0.015  
47  A  GLU  49  0.015  
48  A  ALA  50  0.017  
49  A  GLU  51  0.017  
50  A  ASP  52  0.018  
51  A  SER  53  0.017  
52  A  GLU  54  0.016  
53  A  THR  55  0.014  
54  A  LEU  56  0.014  
55  A  ILE  57  0.014  
56  A  GLN  58  0.013  
57  A  THR  59  0.011  
58  A  ILE  60  0.011  
59  A  GLU  61  0.012  
60  A  SER  62  0.013  
61  A  VAL  63  0.015  
62  A  ARG  64  0.018  
63  A  ASN  65  0.023  
64  A  VAL  66  0.026  
65  A  GLU  67  0.026  
66  A  GLY  68  0.031  
67  A  VAL  69  0.036  
68  A  LEU  70  0.040  
69  A  ALA  71  0.036  
70  A  VAL  72  0.033  
71  A  SER  73  0.040  
72  A  LEU  74  0.067  
73  A  VAL  75  0.087  
74  A  TYR  76  0.093  
75  A  HIS  77  0.076  
76  A  GLN  78  0.064  
77  A  GLU  81  0.193  
78  A  GLN  82  0.227  
79  A  GLY  83  0.200  
80  A  GLU  84  0.165  
81  A  GLU  85  0.127  
82  A  THR  86  0.148  
83  A  PRO  87  0.175  
84  A  ARG  88  0.201  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00   0.00   0  
2  CA  0.50  0.15  -0.48  83  
3  CB  0.50  0.13   0.19  78  
4  N   0.50  0.34  -0.28  77  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0   19   19  stereomethyl  stereomethyl  
 2  788  114  902  overall       Total         
 3  277   72  349  backbone      Total         
 4  501   42  543  sidechain     Total         
 5   10    0   10  aromatic      Total         
 6  489   15  504  overall       H             
 7  140    1  141  backbone      H             
 8  344   14  358  sidechain     H             
 9    5    0    5  aromatic      H             
10  226   90  316  overall       C             
11   70   70  140  backbone      C             
12  151   20  171  sidechain     C             
13    5    0    5  aromatic      C             
14   73    9   82  overall       N             
15   67    1   68  backbone      N             
16    6    8   14  sidechain     N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0   19    19  stereomethyl  stereomethyl  
 2  912  338  1250  overall       Total         
 3  324  149   473  backbone      Total         
 4  558  132   690  sidechain     Total         
 5   30   57    87  aromatic      Total         
 6  561  127   688  overall       H             
 7  164   27   191  backbone      H             
 8  382   68   450  sidechain     H             
 9   15   32    47  aromatic      H             
10  266  174   440  overall       C             
11   83  107   190  backbone      C             
12  169   50   219  sidechain     C             
13   14   17    31  aromatic      C             
14   85   37   122  overall       N             
15   77   15    92  backbone      N             
16    7   14    21  sidechain     N             
17    1    8     9  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    1340  
 2  "Intra-residue (|i-j|=0)"                       340  
 3  "Sequential (|i-j|=1)"                          363  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            251  
 5  "Long range (|i-j|>=5)"                         386  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"               119  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             15.4  
12  "Number of long range restraints per residue"   4.1  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  340   25.4  2  0.1  0.6  10  0.7   2.9  
 2  Intra-residue  BackboneBackbone       1    0.1  0  0.0  0.0   0  0.0   0.0  
 3  Intra-residue  BackboneSidechain    293   21.9  2  0.1  0.7   9  0.7   3.1  
 4  Intra-residue  SidechainSidechain    46    3.4  0  0.0  0.0   1  0.1   2.2  
 5  Sequential     all                  363   27.1  0  0.0  0.0   9  0.7   2.5  
 6  Sequential     BackboneBackbone     106    7.9  0  0.0  0.0   1  0.1   0.9  
 7  Sequential     BackboneSidechain    209   15.6  0  0.0  0.0   3  0.2   1.4  
 8  Sequential     SidechainSidechain    48    3.6  0  0.0  0.0   5  0.4  10.4  
 9  MediumRange    all                  251   18.7  0  0.0  0.0   5  0.4   2.0  
10  MediumRange    BackboneBackbone      67    5.0  0  0.0  0.0   1  0.1   1.5  
11  MediumRange    BackboneSidechain    116    8.7  0  0.0  0.0   1  0.1   0.9  
12  MediumRange    SidechainSidechain    68    5.1  0  0.0  0.0   3  0.2   4.4  
13  LongRange      all                  386   28.8  0  0.0  0.0   6  0.4   1.6  
14  LongRange      BackboneBackbone      63    4.7  0  0.0  0.0   0  0.0   0.0  
15  LongRange      BackboneSidechain    160   11.9  0  0.0  0.0   4  0.3   2.5  
16  LongRange      SidechainSidechain   163   12.2  0  0.0  0.0   2  0.1   1.2  
17  InterChain     all                    0    0.0  0  0.0  0.0   0  0.0   0.0  
18  InterChain     BackboneBackbone       0    0.0  0  0.0  0.0   0  0.0   0.0  
19  InterChain     BackboneSidechain      0    0.0  0  0.0  0.0   0  0.0   0.0  
20  InterChain     SidechainSidechain     0    0.0  0  0.0  0.0   0  0.0   0.0  
21  HydrogenBond   all                    0    0.0  0  0.0  0.0   0  0.0   0.0  
22  DisulfideBond  all                    0    0.0  0  0.0  0.0   0  0.0   0.0  
23  Total          all                 1340  100.0  2  0.1  0.1  30  2.2   2.2  
24  Total          BackboneBackbone     237   17.7  0  0.0  0.0   2  0.1   0.8  
25  Total          BackboneSidechain    778   58.1  2  0.1  0.3  17  1.3   2.2  
26  Total          SidechainSidechain   325   24.3  0  0.0  0.0  11  0.8   3.4  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.26  0.15  0.12  0.05  
 2   2  0.16  0.14  0.15  0.02  
 3   3  0.20  0.14  0.14  0.02  
 4   4  0.19  0.14  0.14  0.03  
 5   5  0.19  0.14  0.14  0.02  
 6   6  0.14  0.13  0.14  0.01  
 7   7  0.28  0.17  0.14  0.06  
 8   8  0.18  0.14  0.13  0.02  
 9   9  0.20  0.15  0.14  0.03  
10  10  0.28  0.15  0.14  0.05  
11  11  0.18  0.14  0.14  0.02  
12  12  0.20  0.15  0.14  0.03  
13  13  0.21  0.14  0.12  0.03  
14  14  0.16  0.13  0.13  0.01  
15  15  0.19  0.13  0.12  0.02  
16  16  0.15  0.13  0.13  0.01  
17  17  0.20  0.16  0.15  0.03  
18  18  0.26  0.15  0.13  0.04  
19  19  0.19  0.13  0.12  0.03  
20  20  0.21  0.14  0.13  0.03  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue   3  
  2   1  sequential     2  
  3   1  medium         2  
  4   1  long           0  
  5   1  interchain     0  
  6   1  total          7  
  7   2  intraresidue   4  
  8   2  sequential     1  
  9   2  medium         1  
 10   2  long           0  
 11   2  interchain     0  
 12   2  total          6  
 13   3  intraresidue   5  
 14   3  sequential     1  
 15   3  medium         3  
 16   3  long           0  
 17   3  interchain     0  
 18   3  total          9  
 19   4  intraresidue   2  
 20   4  sequential     2  
 21   4  medium         0  
 22   4  long           3  
 23   4  interchain     0  
 24   4  total          7  
 25   5  intraresidue   2  
 26   5  sequential     2  
 27   5  medium         2  
 28   5  long           1  
 29   5  interchain     0  
 30   5  total          7  
 31   6  intraresidue   2  
 32   6  sequential     1  
 33   6  medium         1  
 34   6  long           2  
 35   6  interchain     0  
 36   6  total          6  
 37   7  intraresidue   2  
 38   7  sequential     2  
 39   7  medium         1  
 40   7  long           0  
 41   7  interchain     0  
 42   7  total          5  
 43   8  intraresidue   2  
 44   8  sequential     3  
 45   8  medium         2  
 46   8  long           1  
 47   8  interchain     0  
 48   8  total          8  
 49   9  intraresidue   3  
 50   9  sequential     1  
 51   9  medium         3  
 52   9  long           0  
 53   9  interchain     0  
 54   9  total          7  
 55  10  intraresidue   5  
 56  10  sequential     1  
 57  10  medium         2  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total          8  
 61  11  intraresidue   5  
 62  11  sequential     2  
 63  11  medium         3  
 64  11  long           1  
 65  11  interchain     0  
 66  11  total         11  
 67  12  intraresidue   4  
 68  12  sequential     1  
 69  12  medium         2  
 70  12  long           0  
 71  12  interchain     0  
 72  12  total          7  
 73  13  intraresidue   3  
 74  13  sequential     2  
 75  13  medium         2  
 76  13  long           0  
 77  13  interchain     0  
 78  13  total          7  
 79  14  intraresidue   3  
 80  14  sequential     2  
 81  14  medium         1  
 82  14  long           1  
 83  14  interchain     0  
 84  14  total          7  
 85  15  intraresidue   3  
 86  15  sequential     2  
 87  15  medium         2  
 88  15  long           1  
 89  15  interchain     0  
 90  15  total          8  
 91  16  intraresidue   4  
 92  16  sequential     1  
 93  16  medium         2  
 94  16  long           0  
 95  16  interchain     0  
 96  16  total          7  
 97  17  intraresidue   3  
 98  17  sequential     1  
 99  17  medium         2  
100  17  long           2  
101  17  interchain     0  
102  17  total          8  
103  18  intraresidue   2  
104  18  sequential     3  
105  18  medium         1  
106  18  long           1  
107  18  interchain     0  
108  18  total          7  
109  19  intraresidue   4  
110  19  sequential     2  
111  19  medium         0  
112  19  long           1  
113  19  interchain     0  
114  19  total          7  
115  20  intraresidue   3  
116  20  sequential     2  
117  20  medium         2  
118  20  long           1  
119  20  interchain     0  
120  20  total          8  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  1  
  2   1  sequential    4  
  3   1  medium        0  
  4   1  long          3  
  5   1  interchain    0  
  6   1  total         8  
  7   2  intraresidue  2  
  8   2  sequential    1  
  9   2  medium        0  
 10   2  long          1  
 11   2  interchain    0  
 12   2  total         4  
 13   3  intraresidue  2  
 14   3  sequential    1  
 15   3  medium        1  
 16   3  long          1  
 17   3  interchain    0  
 18   3  total         5  
 19   4  intraresidue  2  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         2  
 25   5  intraresidue  1  
 26   5  sequential    1  
 27   5  medium        1  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         3  
 31   6  intraresidue  0  
 32   6  sequential    1  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         1  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          1  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        1  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         1  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        2  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         2  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    1  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  2  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         2  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2   7.0   
2  0.2-0.5  0.3   0.3   
3  >0.5     None  None  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
 1   926  1  .  A  29  PHE  ?     1  A  29  H     A  .  29  PHE  29  A  1  ?     HB3   20  0.17  0.18  0.03  
 2  1142  1  .  A  26  LEU  ?     1  A  26  H     A  .  26  LEU  26  A  1  ?     HB3   20  0.14  0.14  0.01  
 3   663  1  .  A  62  SER  ?     1  A  62  HB3   A  .  63  VAL  63  A  1  ?     HB    14  0.13  0.13  0.01  
 4   687  1  .  A  69  VAL  ?     1  A  69  HB    A  .  72  VAL  72  A  1  ?     HG11   9  0.14  0.13  0.02  
 5   687  1  .  A  69  VAL  ?     1  A  69  HB    A  .  72  VAL  72  A  1  ?     HG12   9  0.14  0.13  0.02  
 6   687  1  .  A  69  VAL  ?     1  A  69  HB    A  .  72  VAL  72  A  1  ?     HG13   9  0.14  0.13  0.02  
 7   687  1  .  A  69  VAL  ?     1  A  69  HB    A  .  72  VAL  72  A  1  ?     HG21   9  0.14  0.13  0.02  
 8   687  1  .  A  69  VAL  ?     1  A  69  HB    A  .  72  VAL  72  A  1  ?     HG22   9  0.14  0.13  0.02  
 9   687  1  .  A  69  VAL  ?     1  A  69  HB    A  .  72  VAL  72  A  1  ?     HG23   9  0.14  0.13  0.02  
10   687  1  .  A  12  VAL  ?     1  A  12  HG11  A  .  13  GLN  13  A  1  ?     HG2    9  0.14  0.13  0.02  
11   687  1  .  A  12  VAL  ?     1  A  12  HG11  A  .  13  GLN  13  A  1  ?     HG3    9  0.14  0.13  0.02  
12   687  1  .  A  12  VAL  ?     1  A  12  HG12  A  .  13  GLN  13  A  1  ?     HG2    9  0.14  0.13  0.02  
13   687  1  .  A  12  VAL  ?     1  A  12  HG12  A  .  13  GLN  13  A  1  ?     HG3    9  0.14  0.13  0.02  
14   687  1  .  A  12  VAL  ?     1  A  12  HG13  A  .  13  GLN  13  A  1  ?     HG2    9  0.14  0.13  0.02  
15   687  1  .  A  12  VAL  ?     1  A  12  HG13  A  .  13  GLN  13  A  1  ?     HG3    9  0.14  0.13  0.02  
16   687  1  .  A  12  VAL  ?     1  A  12  HG11  A  .  69  VAL  69  A  1  ?     HB     9  0.14  0.13  0.02  
17   687  1  .  A  12  VAL  ?     1  A  12  HG12  A  .  69  VAL  69  A  1  ?     HB     9  0.14  0.13  0.02  
18   687  1  .  A  12  VAL  ?     1  A  12  HG13  A  .  69  VAL  69  A  1  ?     HB     9  0.14  0.13  0.02  
19   213  1  .  A  38  ASP  ?     1  A  38  HB3   A  .  40  PRO  40  A  1  ?     HG3    9  0.12  0.12  0.01  
20   251  1  .  A  67  GLU  ?     1  A  67  HG2   A  .  69  VAL  69  A  1  ?     H      8  0.14  0.12  0.03  
21   674  1  .  A  26  LEU  ?     1  A  26  HB2   A  .  46  VAL  46  A  1  ?     HG21   7  0.13  0.13  0.01  
22   674  1  .  A  26  LEU  ?     1  A  26  HB2   A  .  46  VAL  46  A  1  ?     HG22   7  0.13  0.13  0.01  
23   674  1  .  A  26  LEU  ?     1  A  26  HB2   A  .  46  VAL  46  A  1  ?     HG23   7  0.13  0.13  0.01  
24  1189  1  .  A  24  THR  ?     1  A  24  H     A  .  25  GLN  25  A  1  ?     HB3    6  0.12  0.12  0.01  
25   258  1  .  A  66  VAL  ?     1  A  66  HG11  A  .  67  GLU  67  A  1  ?     HG3    5  0.25  0.26  0.05  
26   258  1  .  A  66  VAL  ?     1  A  66  HG12  A  .  67  GLU  67  A  1  ?     HG3    5  0.25  0.26  0.05  
27   258  1  .  A  66  VAL  ?     1  A  66  HG13  A  .  67  GLU  67  A  1  ?     HG3    5  0.25  0.26  0.05  
28  1225  1  .  A  66  VAL  ?     1  A  66  HA    A  .  68  GLY  68  A  1  ?     H      5  0.13  0.12  0.01  
29   374  1  .  A  67  GLU  ?     1  A  67  H     A  .  67  GLU  67  A  1  ?     HB3    5  0.12  0.12  0.01  
30  1046  1  .  A  25  GLN  ?     1  A  25  H     A  .  25  GLN  25  A  1  ?     HG3    4  0.18  0.18  0.02  
31  1337  1  .  A   5  TRP  ?     1  A   5  HB3   A  .   5  TRP   5  A  1  ?     HE3    4  0.13  0.12  0.01  
32   199  1  .  A  18  ARG  ?     1  A  18  HA    A  .  18  ARG  18  A  1  ?     HD2    3  0.15  0.15  0.00  
33   199  1  .  A  18  ARG  ?     1  A  18  HA    A  .  18  ARG  18  A  1  ?     HD3    3  0.15  0.15  0.00  
34  1338  1  .  A   5  TRP  ?     1  A   5  HE3   A  .  49  GLU  49  A  1  ?     HG2    3  0.13  0.13  0.01  
35  1338  1  .  A   5  TRP  ?     1  A   5  HE3   A  .  49  GLU  49  A  1  ?     HG3    3  0.13  0.13  0.01  
36   210  1  .  A  38  ASP  ?     1  A  38  HB2   A  .  40  PRO  40  A  1  ?     HG3    3  0.13  0.13  0.02  
37   696  1  .  A  66  VAL  ?     1  A  66  HG11  A  .  67  GLU  67  A  1  ?     HB3    3  0.12  0.12  0.00  
38   696  1  .  A  66  VAL  ?     1  A  66  HG12  A  .  67  GLU  67  A  1  ?     HB3    3  0.12  0.12  0.00  
39   696  1  .  A  66  VAL  ?     1  A  66  HG13  A  .  67  GLU  67  A  1  ?     HB3    3  0.12  0.12  0.00  
40   696  1  .  A  33  GLU  ?     1  A  33  HG2   A  .  34  VAL  34  A  1  ?     HG21   3  0.12  0.12  0.00  
41   696  1  .  A  33  GLU  ?     1  A  33  HG2   A  .  34  VAL  34  A  1  ?     HG22   3  0.12  0.12  0.00  
42   696  1  .  A  33  GLU  ?     1  A  33  HG2   A  .  34  VAL  34  A  1  ?     HG23   3  0.12  0.12  0.00  
43  1285  1  .  A  27  ASN  ?     1  A  27  H     A  .  27  ASN  27  A  1  ?     HD22   3  0.12  0.11  0.01  
44   378  1  .  A  25  GLN  ?     1  A  25  HB2   A  .  66  VAL  66  A  1  ?     HA     2  0.15  0.15  0.05  
45   378  1  .  A  66  VAL  ?     1  A  66  HA    A  .  67  GLU  67  A  1  ?     HB2    2  0.15  0.15  0.05  
46   990  1  .  A  54  GLU  ?     1  A  54  H     A  .  54  GLU  54  A  1  ?     HB3    2  0.15  0.15  0.00  
47  1087  1  .  A  58  GLN  ?     1  A  58  H     A  .  58  GLN  58  A  1  ?     HG3    2  0.13  0.13  0.01  
48   677  1  .  A  75  VAL  ?     1  A  75  HA    A  .  76  TYR  76  A  1  ?     HB2    2  0.12  0.12  0.01  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1   258  1   636   637  HG11  HG3   0.28  
  2   258  1   636   637  HG12  HG3   0.28  
  3   258  1   636   637  HG13  HG3   0.28  
  4   258  1   921   922  HG11  HG3   0.28  
  5   258  1   921   922  HG12  HG3   0.28  
  6   258  1   921   922  HG13  HG3   0.28  
  7   258  1    66    67  HG11  HG3   0.26  
  8   258  1    66    67  HG12  HG3   0.26  
  9   258  1    66    67  HG13  HG3   0.26  
 10   258  1  1681  1682  HG11  HG3   0.26  
 11   258  1  1681  1682  HG12  HG3   0.26  
 12   258  1  1681  1682  HG13  HG3   0.26  
 13   926  1  1169  1169  H     HB3   0.21  
 14   926  1  1834  1834  H     HB3   0.21  
 15   926  1   219   219  H     HB3   0.20  
 16   926  1  1074  1074  H     HB3   0.20  
 17   378  1  1545  1586  HB2   HA    0.20  
 18   378  1  1586  1587  HA    HB2   0.20  
 19   251  1   827   829  HG2   H     0.20  
 20   926  1   314   314  H     HB3   0.19  
 21   926  1   409   409  H     HB3   0.19  
 22   926  1   789   789  H     HB3   0.19  
 23   926  1  1549  1549  H     HB3   0.19  
 24   926  1  1739  1739  H     HB3   0.19  
 25   687  1  1589  1592  HB    HG11  0.19  
 26   687  1  1589  1592  HB    HG12  0.19  
 27   687  1  1589  1592  HB    HG13  0.19  
 28   687  1  1589  1592  HB    HG21  0.19  
 29   687  1  1589  1592  HB    HG22  0.19  
 30   687  1  1589  1592  HB    HG23  0.19  
 31   687  1  1532  1533  HG11  HG2   0.19  
 32   687  1  1532  1533  HG11  HG3   0.19  
 33   687  1  1532  1533  HG12  HG2   0.19  
 34   687  1  1532  1533  HG12  HG3   0.19  
 35   687  1  1532  1533  HG13  HG2   0.19  
 36   687  1  1532  1533  HG13  HG3   0.19  
 37   687  1  1532  1589  HG11  HB    0.19  
 38   687  1  1532  1589  HG12  HB    0.19  
 39   687  1  1532  1589  HG13  HB    0.19  
 40   569  1  1360  1361  HA    H     0.19  
 41  1046  1    25    25  H     HG3   0.19  
 42  1046  1  1070  1070  H     HG3   0.19  
 43   926  1   694   694  H     HB3   0.18  
 44   926  1   979   979  H     HB3   0.18  
 45  1046  1   880   880  H     HG3   0.18  
 46   251  1   732   734  HG2   H     0.17  
 47   926  1   124   124  H     HB3   0.16  
 48   926  1   599   599  H     HB3   0.16  
 49   926  1  1264  1264  H     HB3   0.16  
 50   687  1   259   262  HB    HG11  0.16  
 51   687  1   259   262  HB    HG12  0.16  
 52   687  1   259   262  HB    HG13  0.16  
 53   687  1   259   262  HB    HG21  0.16  
 54   687  1   259   262  HB    HG22  0.16  
 55   687  1   259   262  HB    HG23  0.16  
 56   687  1   202   203  HG11  HG2   0.16  
 57   687  1   202   203  HG11  HG3   0.16  
 58   687  1   202   203  HG12  HG2   0.16  
 59   687  1   202   203  HG12  HG3   0.16  
 60   687  1   202   203  HG13  HG2   0.16  
 61   687  1   202   203  HG13  HG3   0.16  
 62   687  1   202   259  HG11  HB    0.16  
 63   687  1   202   259  HG12  HB    0.16  
 64   687  1   202   259  HG13  HB    0.16  
 65   199  1   873   873  HA    HD2   0.16  
 66   199  1   873   873  HA    HD3   0.16  
 67   990  1  1004  1004  H     HB3   0.15  
 68   990  1  1099  1099  H     HB3   0.15  
 69   926  1  1454  1454  H     HB3   0.15  
 70   926  1  1644  1644  H     HB3   0.15  
 71   435  1  1728  1778  HG3   HA3   0.15  
 72   435  1  1725  1728  HA    HG3   0.15  
 73   435  1  1727  1728  HA    HG3   0.15  
 74   258  1   161   162  HG11  HG3   0.15  
 75   258  1   161   162  HG12  HG3   0.15  
 76   258  1   161   162  HG13  HG3   0.15  
 77   251  1  1017  1019  HG2   H     0.15  
 78   213  1  1558  1560  HB3   HG3   0.15  
 79   210  1   418   420  HB2   HG3   0.15  
 80   199  1   208   208  HA    HD2   0.15  
 81   199  1   208   208  HA    HD3   0.15  
 82   199  1  1538  1538  HA    HD2   0.15  
 83   199  1  1538  1538  HA    HD3   0.15  
 84  1338  1   290   334  HE3   HG2   0.15  
 85  1338  1   290   334  HE3   HG3   0.15  
 86  1337  1   100   100  HB3   HE3   0.15  
 87  1142  1    26    26  H     HB3   0.15  
 88  1142  1   216   216  H     HB3   0.15  
 89  1142  1   311   311  H     HB3   0.15  
 90  1142  1   406   406  H     HB3   0.15  
 91  1142  1  1166  1166  H     HB3   0.15  
 92  1142  1  1736  1736  H     HB3   0.15  
 93  1046  1   785   785  H     HG3   0.15  
 94   926  1   504   504  H     HB3   0.14  
 95   687  1  1019  1022  HB    HG11  0.14  
 96   687  1  1019  1022  HB    HG12  0.14  
 97   687  1  1019  1022  HB    HG13  0.14  
 98   687  1  1019  1022  HB    HG21  0.14  
 99   687  1  1019  1022  HB    HG22  0.14  
100   687  1  1019  1022  HB    HG23  0.14  
101   687  1   962   963  HG11  HG2   0.14  
102   687  1   962   963  HG11  HG3   0.14  
103   687  1   962   963  HG12  HG2   0.14  
104   687  1   962   963  HG12  HG3   0.14  
105   687  1   962   963  HG13  HG2   0.14  
106   687  1   962   963  HG13  HG3   0.14  
107   687  1   962  1019  HG11  HB    0.14  
108   687  1   962  1019  HG12  HB    0.14  
109   687  1   962  1019  HG13  HB    0.14  
110   674  1   311   331  HB2   HG21  0.14  
111   674  1   311   331  HB2   HG22  0.14  
112   674  1   311   331  HB2   HG23  0.14  
113   674  1   406   426  HB2   HG21  0.14  
114   674  1   406   426  HB2   HG22  0.14  
115   674  1   406   426  HB2   HG23  0.14  
116   674  1   976   996  HB2   HG21  0.14  
117   674  1   976   996  HB2   HG22  0.14  
118   674  1   976   996  HB2   HG23  0.14  
119   663  1   252   253  HB3   HB    0.14  
120   663  1   537   538  HB3   HB    0.14  
121   663  1  1297  1298  HB3   HB    0.14  
122   374  1   162   162  H     HB3   0.14  
123   213  1   513   515  HB3   HG3   0.14  
124  1316  1  1644  1678  HD1   HA    0.14  
125  1316  1  1644  1678  HD2   HA    0.14  
126  1316  1  1644  1677  HD1   HB2   0.14  
127  1316  1  1644  1677  HD2   HB2   0.14  
128  1225  1  1871  1873  HA    H     0.14  
129  1142  1   121   121  H     HB3   0.14  
130  1142  1   501   501  H     HB3   0.14  
131  1142  1   596   596  H     HB3   0.14  
132  1142  1   691   691  H     HB3   0.14  
133  1142  1   786   786  H     HB3   0.14  
134  1142  1   881   881  H     HB3   0.14  
135  1142  1   976   976  H     HB3   0.14  
136  1142  1  1071  1071  H     HB3   0.14  
137  1142  1  1261  1261  H     HB3   0.14  
138  1142  1  1356  1356  H     HB3   0.14  
139  1142  1  1451  1451  H     HB3   0.14  
140  1142  1  1546  1546  H     HB3   0.14  
141  1142  1  1831  1831  H     HB3   0.14  
142  1087  1  1483  1483  H     HG3   0.14  
143   926  1  1359  1359  H     HB3   0.13  
144   687  1   734   737  HB    HG11  0.13  
145   687  1   734   737  HB    HG12  0.13  
146   687  1   734   737  HB    HG13  0.13  
147   687  1   734   737  HB    HG21  0.13  
148   687  1   734   737  HB    HG22  0.13  
149   687  1   734   737  HB    HG23  0.13  
150   687  1   677   678  HG11  HG2   0.13  
151   687  1   677   678  HG11  HG3   0.13  
152   687  1   677   678  HG12  HG2   0.13  
153   687  1   677   678  HG12  HG3   0.13  
154   687  1   677   678  HG13  HG2   0.13  
155   687  1   677   678  HG13  HG3   0.13  
156   687  1   677   734  HG11  HB    0.13  
157   687  1   677   734  HG12  HB    0.13  
158   687  1   677   734  HG13  HB    0.13  
159   687  1   924   927  HB    HG11  0.13  
160   687  1   924   927  HB    HG12  0.13  
161   687  1   924   927  HB    HG13  0.13  
162   687  1   924   927  HB    HG21  0.13  
163   687  1   924   927  HB    HG22  0.13  
164   687  1   924   927  HB    HG23  0.13  
165   687  1   867   868  HG11  HG2   0.13  
166   687  1   867   868  HG11  HG3   0.13  
167   687  1   867   868  HG12  HG2   0.13  
168   687  1   867   868  HG12  HG3   0.13  
169   687  1   867   868  HG13  HG2   0.13  
170   687  1   867   868  HG13  HG3   0.13  
171   687  1   867   924  HG11  HB    0.13  
172   687  1   867   924  HG12  HB    0.13  
173   687  1   867   924  HG13  HB    0.13  
174   687  1  1684  1687  HB    HG11  0.13  
175   687  1  1684  1687  HB    HG12  0.13  
176   687  1  1684  1687  HB    HG13  0.13  
177   687  1  1684  1687  HB    HG21  0.13  
178   687  1  1684  1687  HB    HG22  0.13  
179   687  1  1684  1687  HB    HG23  0.13  
180   687  1  1627  1628  HG11  HG2   0.13  
181   687  1  1627  1628  HG11  HG3   0.13  
182   687  1  1627  1628  HG12  HG2   0.13  
183   687  1  1627  1628  HG12  HG3   0.13  
184   687  1  1627  1628  HG13  HG2   0.13  
185   687  1  1627  1628  HG13  HG3   0.13  
186   687  1  1627  1684  HG11  HB    0.13  
187   687  1  1627  1684  HG12  HB    0.13  
188   687  1  1627  1684  HG13  HB    0.13  
189   677  1  1690  1691  HA    HB2   0.13  
190   674  1  1831  1851  HB2   HG21  0.13  
191   674  1  1831  1851  HB2   HG22  0.13  
192   674  1  1831  1851  HB2   HG23  0.13  
193   663  1   347   348  HB3   HB    0.13  
194   663  1   442   443  HB3   HB    0.13  
195   663  1   822   823  HB3   HB    0.13  
196   663  1  1487  1488  HB3   HB    0.13  
197   663  1  1867  1868  HB3   HB    0.13  
198   374  1  1302  1302  H     HB3   0.13  
199   309  1   752   753  HB2   HG3   0.13  
200   251  1  1112  1114  HG2   H     0.13  
201   213  1   798   800  HB3   HG3   0.13  
202   210  1   228   230  HB2   HG3   0.13  
203  1338  1   480   524  HE3   HG2   0.13  
204  1338  1   480   524  HE3   HG3   0.13  
205  1337  1  1430  1430  HB3   HE3   0.13  
206  1285  1   217   217  H     HD22  0.13  
207  1225  1   636   638  HA    H     0.13  
208  1189  1   974   975  H     HB3   0.13  
209  1189  1  1259  1260  H     HB3   0.13  
210  1189  1  1639  1640  H     HB3   0.13  
211  1142  1  1641  1641  H     HB3   0.13  
212   926  1    29    29  H     HB3   0.12  
213   926  1   884   884  H     HB3   0.12  
214   841  1  1153  1154  HG2   H     0.12  
215   841  1  1153  1154  HG3   H     0.12  
216   696  1  1206  1207  HG11  HB3   0.12  
217   696  1  1206  1207  HG12  HB3   0.12  
218   696  1  1206  1207  HG13  HB3   0.12  
219   696  1  1173  1174  HG2   HG21  0.12  
220   696  1  1173  1174  HG2   HG22  0.12  
221   696  1  1173  1174  HG2   HG23  0.12  
222   696  1  1396  1397  HG11  HB3   0.12  
223   696  1  1396  1397  HG12  HB3   0.12  
224   696  1  1396  1397  HG13  HB3   0.12  
225   696  1  1363  1364  HG2   HG21  0.12  
226   696  1  1363  1364  HG2   HG22  0.12  
227   696  1  1363  1364  HG2   HG23  0.12  
228   696  1  1871  1872  HG11  HB3   0.12  
229   696  1  1871  1872  HG12  HB3   0.12  
230   696  1  1871  1872  HG13  HB3   0.12  
231   696  1  1838  1839  HG2   HG21  0.12  
232   696  1  1838  1839  HG2   HG22  0.12  
233   696  1  1838  1839  HG2   HG23  0.12  
234   687  1  1209  1212  HB    HG11  0.12  
235   687  1  1209  1212  HB    HG12  0.12  
236   687  1  1209  1212  HB    HG13  0.12  
237   687  1  1209  1212  HB    HG21  0.12  
238   687  1  1209  1212  HB    HG22  0.12  
239   687  1  1209  1212  HB    HG23  0.12  
240   687  1  1152  1153  HG11  HG2   0.12  
241   687  1  1152  1153  HG11  HG3   0.12  
242   687  1  1152  1153  HG12  HG2   0.12  
243   687  1  1152  1153  HG12  HG3   0.12  
244   687  1  1152  1153  HG13  HG2   0.12  
245   687  1  1152  1153  HG13  HG3   0.12  
246   687  1  1152  1209  HG11  HB    0.12  
247   687  1  1152  1209  HG12  HB    0.12  
248   687  1  1152  1209  HG13  HB    0.12  
249   687  1  1399  1402  HB    HG11  0.12  
250   687  1  1399  1402  HB    HG12  0.12  
251   687  1  1399  1402  HB    HG13  0.12  
252   687  1  1399  1402  HB    HG21  0.12  
253   687  1  1399  1402  HB    HG22  0.12  
254   687  1  1399  1402  HB    HG23  0.12  
255   687  1  1342  1343  HG11  HG2   0.12  
256   687  1  1342  1343  HG11  HG3   0.12  
257   687  1  1342  1343  HG12  HG2   0.12  
258   687  1  1342  1343  HG12  HG3   0.12  
259   687  1  1342  1343  HG13  HG2   0.12  
260   687  1  1342  1343  HG13  HG3   0.12  
261   687  1  1342  1399  HG11  HB    0.12  
262   687  1  1342  1399  HG12  HB    0.12  
263   687  1  1342  1399  HG13  HB    0.12  
264   674  1   691   711  HB2   HG21  0.12  
265   674  1   691   711  HB2   HG22  0.12  
266   674  1   691   711  HB2   HG23  0.12  
267   663  1   632   633  HB3   HB    0.12  
268   663  1   727   728  HB3   HB    0.12  
269   663  1  1012  1013  HB3   HB    0.12  
270   663  1  1107  1108  HB3   HB    0.12  
271   663  1  1582  1583  HB3   HB    0.12  
272   663  1  1772  1773  HB3   HB    0.12  
273   507  1   738   739  HB2   HB2   0.12  
274   507  1   738   739  HB2   HB3   0.12  
275   507  1   736   738  HB1   HB2   0.12  
276   507  1   736   738  HB2   HB2   0.12  
277   507  1   736   738  HB3   HB2   0.12  
278   507  1   738   739  HB2   HG    0.12  
279   374  1   257   257  H     HB3   0.12  
280   374  1  1872  1872  H     HB3   0.12  
281   251  1  1302  1304  HG2   H     0.12  
282   251  1  1397  1399  HG2   H     0.12  
283   213  1    38    40  HB3   HG3   0.12  
284   213  1  1083  1085  HB3   HG3   0.12  
285  1338  1  1335  1379  HE3   HG2   0.12  
286  1338  1  1335  1379  HE3   HG3   0.12  
287  1337  1  1145  1145  HB3   HE3   0.12  
288  1225  1    66    68  HA    H     0.12  
289  1225  1   446   448  HA    H     0.12  
290  1225  1  1491  1493  HA    H     0.12  
291  1087  1  1008  1008  H     HG3   0.12  
292   687  1   829   832  HB    HG11  0.11  
293   687  1   829   832  HB    HG12  0.11  
294   687  1   829   832  HB    HG13  0.11  
295   687  1   829   832  HB    HG21  0.11  
296   687  1   829   832  HB    HG22  0.11  
297   687  1   829   832  HB    HG23  0.11  
298   687  1   772   773  HG11  HG2   0.11  
299   687  1   772   773  HG11  HG3   0.11  
300   687  1   772   773  HG12  HG2   0.11  
301   687  1   772   773  HG12  HG3   0.11  
302   687  1   772   773  HG13  HG2   0.11  
303   687  1   772   773  HG13  HG3   0.11  
304   687  1   772   829  HG11  HB    0.11  
305   687  1   772   829  HG12  HB    0.11  
306   687  1   772   829  HG13  HB    0.11  
307   677  1    75    76  HA    HB2   0.11  
308   674  1  1261  1281  HB2   HG21  0.11  
309   674  1  1261  1281  HB2   HG22  0.11  
310   674  1  1261  1281  HB2   HG23  0.11  
311   674  1  1546  1566  HB2   HG21  0.11  
312   674  1  1546  1566  HB2   HG22  0.11  
313   674  1  1546  1566  HB2   HG23  0.11  
314   378  1   500   541  HB2   HA    0.11  
315   378  1   541   542  HA    HB2   0.11  
316   374  1  1777  1777  H     HB3   0.11  
317   251  1   257   259  HG2   H     0.11  
318   251  1  1872  1874  HG2   H     0.11  
319   213  1   133   135  HB3   HG3   0.11  
320   213  1   893   895  HB3   HG3   0.11  
321   213  1   988   990  HB3   HG3   0.11  
322   213  1  1463  1465  HB3   HG3   0.11  
323   210  1  1178  1180  HB2   HG3   0.11  
324  1337  1   955   955  HB3   HE3   0.11  
325  1332  1   290   335  HZ3   HA    0.11  
326  1332  1   290   291  HZ3   HA    0.11  
327  1285  1  1357  1357  H     HD22  0.11  
328  1285  1  1737  1737  H     HD22  0.11  
329  1193  1   887   887  H     HB3   0.11  
330  1189  1   309   310  H     HB3   0.11  
331  1189  1   404   405  H     HB3   0.11  
332  1189  1  1734  1735  H     HB3   0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PHI     59   49.6  0  0.0  0.0   2   1.7   3.4  
2  PSI     60   50.4  0  0.0  0.0  13  10.9  21.7  
3  Total  119  100.0  0  0.0  0.0  15  12.6  12.6  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  1.20  1.15  1.15  0.05  
 2   2  0.00  0.00  0.00  0.00  
 3   3  1.50  1.30  1.30  0.20  
 4   4  1.10  1.10  1.10  0.00  
 5   5  1.10  1.10  1.10  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  1.40  1.27  1.30  0.12  
 9   9  1.40  1.25  1.25  0.15  
10  10  2.00  1.75  1.75  0.25  
11  11  1.40  1.30  1.30  0.10  
12  12  1.10  1.10  1.10  0.00  
13  13  1.80  1.43  1.30  0.26  
14  14  1.70  1.55  1.55  0.15  
15  15  1.30  1.17  1.10  0.09  
16  16  1.20  1.15  1.15  0.05  
17  17  0.00  0.00  0.00  0.00  
18  18  2.10  1.48  1.35  0.41  
19  19  2.00  1.40  1.25  0.37  
20  20  1.90  1.67  1.80  0.26  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI    0  
 2   1  PSI    2  
 3   1  Total  2  
 4   2  PHI    0  
 5   2  PSI    0  
 6   2  Total  0  
 7   3  PHI    0  
 8   3  PSI    2  
 9   3  Total  2  
10   4  PHI    0  
11   4  PSI    1  
12   4  Total  1  
13   5  PHI    1  
14   5  PSI    1  
15   5  Total  2  
16   6  PHI    0  
17   6  PSI    0  
18   6  Total  0  
19   7  PHI    0  
20   7  PSI    0  
21   7  Total  0  
22   8  PHI    0  
23   8  PSI    3  
24   8  Total  3  
25   9  PHI    0  
26   9  PSI    2  
27   9  Total  2  
28  10  PHI    0  
29  10  PSI    2  
30  10  Total  2  
31  11  PHI    1  
32  11  PSI    1  
33  11  Total  2  
34  12  PHI    0  
35  12  PSI    1  
36  12  Total  1  
37  13  PHI    1  
38  13  PSI    2  
39  13  Total  3  
40  14  PHI    0  
41  14  PSI    2  
42  14  Total  2  
43  15  PHI    0  
44  15  PSI    3  
45  15  Total  3  
46  16  PHI    0  
47  16  PSI    2  
48  16  Total  2  
49  17  PHI    0  
50  17  PSI    0  
51  17  Total  0  
52  18  PHI    0  
53  18  PSI    4  
54  18  Total  4  
55  19  PHI    0  
56  19  PSI    4  
57  19  Total  4  
58  20  PHI    1  
59  20  PSI    2  
60  20  Total  3  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI    0  
 2   1  PSI    7  
 3   1  Total  7  
 4   2  PHI    2  
 5   2  PSI    1  
 6   2  Total  3  
 7   3  PHI    0  
 8   3  PSI    1  
 9   3  Total  1  
10   4  PHI    0  
11   4  PSI    0  
12   4  Total  0  
13   5  PHI    0  
14   5  PSI    3  
15   5  Total  3  
16   6  PHI    0  
17   6  PSI    0  
18   6  Total  0  
19   7  PHI    0  
20   7  PSI    1  
21   7  Total  1  
22   8  PHI    0  
23   8  PSI    0  
24   8  Total  0  
25   9  PHI    0  
26   9  PSI    0  
27   9  Total  0  
28  10  PHI    0  
29  10  PSI    0  
30  10  Total  0  
31  11  PHI    0  
32  11  PSI    0  
33  11  Total  0  
34  12  PHI    0  
35  12  PSI    0  
36  12  Total  0  
37  13  PHI    0  
38  13  PSI    0  
39  13  Total  0  
40  14  PHI    0  
41  14  PSI    0  
42  14  Total  0  
43  15  PHI    0  
44  15  PSI    0  
45  15  Total  0  
46  16  PHI    0  
47  16  PSI    0  
48  16  Total  0  
49  17  PHI    0  
50  17  PSI    0  
51  17  Total  0  
52  18  PHI    0  
53  18  PSI    0  
54  18  Total  0  
55  19  PHI    0  
56  19  PSI    0  
57  19  Total  0  
58  20  PHI    0  
59  20  PSI    0  
60  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   2.1   1.9   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
1   69  1  .  A  45  ILE  ?     1  A  45  N  A  .  45  ILE  45  A  1  ?     CA  .  A  45  ILE  ?     1  A  45  C   A  .  46  VAL  46  A  1  ?     N  7  1.53  1.40  0.32  
2   18  1  .  A  14  ALA  ?     1  A  14  N  A  .  14  ALA  14  A  1  ?     CA  .  A  14  ALA  ?     1  A  14  C   A  .  15  LYS  15  A  1  ?     N  5  1.48  1.40  0.34  
3   63  1  .  A  42  GLY  ?     1  A  42  N  A  .  42  GLY  42  A  1  ?     CA  .  A  42  GLY  ?     1  A  42  C   A  .  43  GLN  43  A  1  ?     N  5  1.48  1.40  0.20  
4   12  1  .  A  11  VAL  ?     1  A  11  N  A  .  11  VAL  11  A  1  ?     CA  .  A  11  VAL  ?     1  A  11  C   A  .  12  VAL  12  A  1  ?     N  5  1.20  1.20  0.09  
5  111  1  .  A  72  VAL  ?     1  A  72  N  A  .  72  VAL  72  A  1  ?     CA  .  A  72  VAL  ?     1  A  72  C   A  .  73  SER  73  A  1  ?     N  3  1.10  1.10  0.00  
6   76  1  .  A  48  VAL  ?     1  A  48  C  A  .  49  GLU  49  A  1  ?     N   .  A  49  GLU  ?     1  A  49  CA  A  .  49  GLU  49  A  1  ?     C  2  1.50  1.50  0.30  
7  110  1  .  A  71  ALA  ?     1  A  71  C  A  .  72  VAL  72  A  1  ?     N   .  A  72  VAL  ?     1  A  72  CA  A  .  72  VAL  72  A  1  ?     C  2  1.50  1.50  0.40  
8   77  1  .  A  49  GLU  ?     1  A  49  N  A  .  49  GLU  49  A  1  ?     CA  .  A  49  GLU  ?     1  A  49  C   A  .  50  ALA  50  A  1  ?     N  2  1.15  1.15  0.05  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
 1   18  1  1629  1629  1629  1630  N  CA  C   N  2.10  
 2   69  1   900   900   900   901  N  CA  C   N  2.00  
 3   69  1  1755  1755  1755  1756  N  CA  C   N  2.00  
 4  110  1  1876  1877  1877  1877  C  N   CA  C  1.90  
 5   76  1  1188  1189  1189  1189  C  N   CA  C  1.80  
 6   63  1  1847  1847  1847  1848  N  CA  C   N  1.80  
 7  107  1  1304  1304  1304  1305  N  CA  C   N  1.70  
 8   63  1  1657  1657  1657  1658  N  CA  C   N  1.60  
 9   69  1   235   235   235   236  N  CA  C   N  1.50  
10   18  1   869   869   869   870  N  CA  C   N  1.50  
11   69  1   805   805   805   806  N  CA  C   N  1.40  
12   69  1   995   995   995   996  N  CA  C   N  1.40  
13   63  1  1277  1277  1277  1278  N  CA  C   N  1.40  
14   63  1  1752  1752  1752  1753  N  CA  C   N  1.40  
15   18  1   679   679   679   680  N  CA  C   N  1.40  
16   69  1   710   710   710   711  N  CA  C   N  1.30  
17   18  1  1344  1344  1344  1345  N  CA  C   N  1.30  
18   12  1  1151  1151  1151  1152  N  CA  C   N  1.30  
19   12  1  1816  1816  1816  1817  N  CA  C   N  1.30  
20   77  1  1474  1474  1474  1475  N  CA  C   N  1.20  
21   76  1   998   999   999   999  C  N   CA  C  1.20  
22   63  1  1182  1182  1182  1183  N  CA  C   N  1.20  
23   12  1    11    11    11    12  N  CA  C   N  1.20  
24   77  1   714   714   714   715  N  CA  C   N  1.10  
25   69  1    45    45    45    46  N  CA  C   N  1.10  
26   59  1  1655  1655  1655  1656  N  CA  C   N  1.10  
27   56  1   323   323   323   324  N  CA  C   N  1.10  
28   54  1   797   797   797   798  N  CA  C   N  1.10  
29   44  1  1357  1357  1357  1358  N  CA  C   N  1.10  
30    2  1  1621  1621  1621  1622  N  CA  C   N  1.10  
31   18  1  1724  1724  1724  1725  N  CA  C   N  1.10  
32   12  1   201   201   201   202  N  CA  C   N  1.10  
33   12  1  1721  1721  1721  1722  N  CA  C   N  1.10  
34  117  1  1506  1506  1506  1507  N  CA  C   N  1.10  
35  111  1   452   452   452   453  N  CA  C   N  1.10  
36  111  1  1117  1117  1117  1118  N  CA  C   N  1.10  
37  111  1  1402  1402  1402  1403  N  CA  C   N  1.10  
38  110  1   451   452   452   452  C  N   CA  C  1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
