data_2LD9

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2LD9   
BMRB  15410  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2LD9
_pdbx_vrpt_summary.PDB_deposition_date         2011-05-18
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-04:17:37
_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  Ubiquitin
#
_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  59.09  158937  ?     ?     
2  2  1  67.41   12864  ?     ?     
3  1  2  54.40  154571  ?     ?     
4  2  2  85.17   11451  ?     ?     
5  1  3   0.92  154315  ?     ?     
6  2  3  11.03   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    0.12  
 4  6  3  A   1  1  A    0.12  
 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    0.15  
 8  6  3  A   2  1  A    0.15  
 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    0.15  
12  6  3  A   3  1  A    0.15  
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    0.15  
16  6  3  A   4  1  A    0.15  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A    0.10  
20  6  3  A   5  1  A    0.10  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A    0.06  
24  6  3  A   6  1  A    0.06  
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    0.12  
28  6  3  A   7  1  A    0.12  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A    0.19  
32  6  3  A   8  1  A    0.19  
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    0.40  
36  6  3  A   9  1  A    0.40  
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    0.10  
40  6  3  A  10  1  A    0.10  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A    0.06  
44  6  3  A  11  1  A    0.06  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A    0.03  
48  6  3  A  12  1  A    0.03  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A    0.05  
52  6  3  A  13  1  A    0.05  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A    0.02  
56  6  3  A  14  1  A    0.02  
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    0.70  
60  6  3  A  15  1  A    0.70  
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    0.10  
64  6  3  A  16  1  A    0.10  
65  3  2  A  17  1  A   11.70  
66  4  2  A  17  1  A   11.70  
67  5  3  A  17  1  A    0.08  
68  6  3  A  17  1  A    0.08  
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    0.15  
72  6  3  A  18  1  A    0.15  
73  3  2  A  19  1  A  100.00  
74  4  2  A  19  1  A  100.00  
75  5  3  A  19  1  A    0.05  
76  6  3  A  19  1  A    0.05  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A    0.10  
80  6  3  A  20  1  A    0.10  
#
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  0.34  0.20  611  821  
 2   2  1  A  A  0.34  0.20  611  821  
 3   3  1  A  A  0.34  0.20  611  821  
 4   4  1  A  A  0.34  0.20  611  821  
 5   5  1  A  A  0.34  0.20  611  821  
 6   6  1  A  A  0.34  0.20  611  821  
 7   7  1  A  A  0.34  0.20  611  821  
 8   8  1  A  A  0.34  0.20  611  821  
 9   9  1  A  A  0.34  0.20  611  821  
10  10  1  A  A  0.34  0.20  611  821  
11  11  1  A  A  0.34  0.20  611  821  
12  12  1  A  A  0.34  0.20  611  821  
13  13  1  A  A  0.34  0.20  611  821  
14  14  1  A  A  0.34  0.20  611  821  
15  15  1  A  A  0.34  0.20  611  821  
16  16  1  A  A  0.34  0.20  611  821  
17  17  1  A  A  0.34  0.20  611  821  
18  18  1  A  A  0.34  0.20  611  821  
19  19  1  A  A  0.34  0.20  611  821  
20  20  1  A  A  0.34  0.20  611  821  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.07
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.07
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   33.53
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       33.53
_pdbx_vrpt_summary_geometry.clashscore                                 4.85
_pdbx_vrpt_summary_geometry.clashscore_full_length                     4.85
_pdbx_vrpt_summary_geometry.num_H_reduce                               12640
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             12220
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.20
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            16420
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.34
#
_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            19
_pdbx_vrpt_summary_nmr.medoid_model                             8
_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              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              33.05
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  32.87
#
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  GLY  A   0  .  ?        ?  
   2   1  1  A   2  MET  A   1  .  ?        ?  
   3   1  1  A   3  GLN  A   2  .  ?        ?  
   4   1  1  A   4  ILE  A   3  .  ?        ?  
   5   1  1  A   5  PHE  A   4  .  ?        ?  
   6   1  1  A   6  VAL  A   5  .  ?        1  
   7   1  1  A   7  LYS  A   6  .  ?        ?  
   8   1  1  A   8  THR  A   7  .  ?        ?  
   9   1  1  A   9  LEU  A   8  .  ?        2  
  10   1  1  A  10  THR  A   9  .  ?        2  
  11   1  1  A  11  GLY  A  10  .  ?        ?  
  12   1  1  A  12  LYS  A  11  .  ?        ?  
  13   1  1  A  13  THR  A  12  .  ?        ?  
  14   1  1  A  14  ILE  A  13  .  ?        ?  
  15   1  1  A  15  THR  A  14  .  ?        1  
  16   1  1  A  16  LEU  A  15  .  ?        1  
  17   1  1  A  17  GLU  A  16  .  ?        ?  
  18   1  1  A  18  VAL  A  17  .  ?        ?  
  19   1  1  A  19  GLU  A  18  .  ?        1  
  20   1  1  A  20  PRO  A  19  .  ?        1  
  21   1  1  A  21  SER  A  20  .  ?        ?  
  22   1  1  A  22  ASP  A  21  .  ?        ?  
  23   1  1  A  23  THR  A  22  .  ?        1  
  24   1  1  A  24  ILE  A  23  .  ?        ?  
  25   1  1  A  25  GLU  A  24  .  ?        ?  
  26   1  1  A  26  ASN  A  25  .  ?        ?  
  27   1  1  A  27  VAL  A  26  .  ?        ?  
  28   1  1  A  28  LYS  A  27  .  ?        ?  
  29   1  1  A  29  ALA  A  28  .  ?        ?  
  30   1  1  A  30  LYS  A  29  .  ?        ?  
  31   1  1  A  31  ILE  A  30  .  ?        ?  
  32   1  1  A  32  GLN  A  31  .  ?        ?  
  33   1  1  A  33  ASP  A  32  .  ?        ?  
  34   1  1  A  34  LYS  A  33  .  ?        ?  
  35   1  1  A  35  GLU  A  34  .  ?        ?  
  36   1  1  A  36  GLY  A  35  .  ?        ?  
  37   1  1  A  37  ILE  A  36  .  ?        ?  
  38   1  1  A  38  PRO  A  37  .  ?        ?  
  39   1  1  A  39  PRO  A  38  .  ?        ?  
  40   1  1  A  40  ASP  A  39  .  ?        ?  
  41   1  1  A  41  GLN  A  40  .  ?        ?  
  42   1  1  A  42  GLN  A  41  .  ?        ?  
  43   1  1  A  43  ARG  A  42  .  ?        ?  
  44   1  1  A  44  LEU  A  43  .  ?        ?  
  45   1  1  A  45  ILE  A  44  .  ?        ?  
  46   1  1  A  46  PHE  A  45  .  ?        ?  
  47   1  1  A  47  ALA  A  46  .  ?        ?  
  48   1  1  A  48  GLY  A  47  .  ?        ?  
  49   1  1  A  49  LYS  A  48  .  ?        ?  
  50   1  1  A  50  GLN  A  49  .  ?        ?  
  51   1  1  A  51  LEU  A  50  .  ?        ?  
  52   1  1  A  52  GLU  A  51  .  ?        ?  
  53   1  1  A  53  ASP  A  52  .  ?        ?  
  54   1  1  A  54  GLY  A  53  .  ?        ?  
  55   1  1  A  55  ARG  A  54  .  ?        ?  
  56   1  1  A  56  THR  A  55  .  ?        1  
  57   1  1  A  57  LEU  A  56  .  ?        ?  
  58   1  1  A  58  SER  A  57  .  ?        ?  
  59   1  1  A  59  ASP  A  58  .  ?        ?  
  60   1  1  A  60  TYR  A  59  .  ?        ?  
  61   1  1  A  61  ASN  A  60  .  ?        ?  
  62   1  1  A  62  ILE  A  61  .  ?        ?  
  63   1  1  A  63  GLN  A  62  .  ?        ?  
  64   1  1  A  64  LYS  A  63  .  ?        1  
  65   1  1  A  65  GLU  A  64  .  ?        1  
  66   1  1  A  66  SER  A  65  .  ?        ?  
  67   1  1  A  67  THR  A  66  .  ?        ?  
  68   1  1  A  68  LEU  A  67  .  ?        ?  
  69   1  1  A  69  HIS  A  68  .  ?        ?  
  70   1  1  A  70  LEU  A  69  .  ?        1  
  71   1  1  A  71  VAL  A  70  .  ?        ?  
  72   1  1  A  72  LEU  A  71  .  ?        ?  
  73   1  1  A  73  ARG  A  72  .  ?        ?  
  74   1  1  A  74  LEU  A  73  .  ?        ?  
  75   1  1  A  75  ARG  A  74  .  ?        ?  
  76   1  1  A  76  GLY  A  75  .  ?        ?  
  77   1  1  A  77  GLY  A  76  .  ?        ?  
  78   2  1  A   1  GLY  A   0  .  ?        ?  
  79   2  1  A   2  MET  A   1  .  ?        ?  
  80   2  1  A   3  GLN  A   2  .  ?        ?  
  81   2  1  A   4  ILE  A   3  .  ?        ?  
  82   2  1  A   5  PHE  A   4  .  ?        ?  
  83   2  1  A   6  VAL  A   5  .  ?        ?  
  84   2  1  A   7  LYS  A   6  .  ?        ?  
  85   2  1  A   8  THR  A   7  .  ?        ?  
  86   2  1  A   9  LEU  A   8  .  ?        ?  
  87   2  1  A  10  THR  A   9  .  ?        ?  
  88   2  1  A  11  GLY  A  10  .  ?        ?  
  89   2  1  A  12  LYS  A  11  .  ?        ?  
  90   2  1  A  13  THR  A  12  .  ?        ?  
  91   2  1  A  14  ILE  A  13  .  ?        ?  
  92   2  1  A  15  THR  A  14  .  ?        ?  
  93   2  1  A  16  LEU  A  15  .  ?        ?  
  94   2  1  A  17  GLU  A  16  .  ?        ?  
  95   2  1  A  18  VAL  A  17  .  ?        ?  
  96   2  1  A  19  GLU  A  18  .  ?        ?  
  97   2  1  A  20  PRO  A  19  .  ?        ?  
  98   2  1  A  21  SER  A  20  .  ?        ?  
  99   2  1  A  22  ASP  A  21  .  ?        ?  
 100   2  1  A  23  THR  A  22  .  ?        ?  
 101   2  1  A  24  ILE  A  23  .  ?        ?  
 102   2  1  A  25  GLU  A  24  .  ?        ?  
 103   2  1  A  26  ASN  A  25  .  ?        ?  
 104   2  1  A  27  VAL  A  26  .  ?        ?  
 105   2  1  A  28  LYS  A  27  .  ?        ?  
 106   2  1  A  29  ALA  A  28  .  ?        ?  
 107   2  1  A  30  LYS  A  29  .  ?        ?  
 108   2  1  A  31  ILE  A  30  .  ?        ?  
 109   2  1  A  32  GLN  A  31  .  ?        ?  
 110   2  1  A  33  ASP  A  32  .  ?        ?  
 111   2  1  A  34  LYS  A  33  .  ?        ?  
 112   2  1  A  35  GLU  A  34  .  ?        ?  
 113   2  1  A  36  GLY  A  35  .  ?        ?  
 114   2  1  A  37  ILE  A  36  .  ?        ?  
 115   2  1  A  38  PRO  A  37  .  ?        ?  
 116   2  1  A  39  PRO  A  38  .  ?        ?  
 117   2  1  A  40  ASP  A  39  .  ?        ?  
 118   2  1  A  41  GLN  A  40  .  ?        ?  
 119   2  1  A  42  GLN  A  41  .  ?        ?  
 120   2  1  A  43  ARG  A  42  .  ?        ?  
 121   2  1  A  44  LEU  A  43  .  ?        ?  
 122   2  1  A  45  ILE  A  44  .  ?        ?  
 123   2  1  A  46  PHE  A  45  .  ?        ?  
 124   2  1  A  47  ALA  A  46  .  ?        ?  
 125   2  1  A  48  GLY  A  47  .  ?        ?  
 126   2  1  A  49  LYS  A  48  .  ?        ?  
 127   2  1  A  50  GLN  A  49  .  ?        ?  
 128   2  1  A  51  LEU  A  50  .  ?        ?  
 129   2  1  A  52  GLU  A  51  .  ?        ?  
 130   2  1  A  53  ASP  A  52  .  ?        ?  
 131   2  1  A  54  GLY  A  53  .  ?        ?  
 132   2  1  A  55  ARG  A  54  .  ?        ?  
 133   2  1  A  56  THR  A  55  .  ?        ?  
 134   2  1  A  57  LEU  A  56  .  ?        1  
 135   2  1  A  58  SER  A  57  .  ?        ?  
 136   2  1  A  59  ASP  A  58  .  ?        ?  
 137   2  1  A  60  TYR  A  59  .  ?        ?  
 138   2  1  A  61  ASN  A  60  .  ?        ?  
 139   2  1  A  62  ILE  A  61  .  ?        3  
 140   2  1  A  63  GLN  A  62  .  ?        ?  
 141   2  1  A  64  LYS  A  63  .  ?        1  
 142   2  1  A  65  GLU  A  64  .  ?        1  
 143   2  1  A  66  SER  A  65  .  ?        ?  
 144   2  1  A  67  THR  A  66  .  ?        ?  
 145   2  1  A  68  LEU  A  67  .  ?        ?  
 146   2  1  A  69  HIS  A  68  .  ?        ?  
 147   2  1  A  70  LEU  A  69  .  ?        ?  
 148   2  1  A  71  VAL  A  70  .  ?        ?  
 149   2  1  A  72  LEU  A  71  .  ?        ?  
 150   2  1  A  73  ARG  A  72  .  ?        ?  
 151   2  1  A  74  LEU  A  73  .  ?        ?  
 152   2  1  A  75  ARG  A  74  .  ?        ?  
 153   2  1  A  76  GLY  A  75  .  ?        ?  
 154   2  1  A  77  GLY  A  76  .  ?        ?  
 155   3  1  A   1  GLY  A   0  .  ?        ?  
 156   3  1  A   2  MET  A   1  .  ?        ?  
 157   3  1  A   3  GLN  A   2  .  ?        ?  
 158   3  1  A   4  ILE  A   3  .  ?        ?  
 159   3  1  A   5  PHE  A   4  .  ?        ?  
 160   3  1  A   6  VAL  A   5  .  ?        ?  
 161   3  1  A   7  LYS  A   6  .  ?        ?  
 162   3  1  A   8  THR  A   7  .  ?        ?  
 163   3  1  A   9  LEU  A   8  .  ?        ?  
 164   3  1  A  10  THR  A   9  .  ?        ?  
 165   3  1  A  11  GLY  A  10  .  ?        ?  
 166   3  1  A  12  LYS  A  11  .  ?        ?  
 167   3  1  A  13  THR  A  12  .  ?        ?  
 168   3  1  A  14  ILE  A  13  .  ?        ?  
 169   3  1  A  15  THR  A  14  .  ?        ?  
 170   3  1  A  16  LEU  A  15  .  ?        ?  
 171   3  1  A  17  GLU  A  16  .  ?        ?  
 172   3  1  A  18  VAL  A  17  .  ?        ?  
 173   3  1  A  19  GLU  A  18  .  ?        ?  
 174   3  1  A  20  PRO  A  19  .  ?        ?  
 175   3  1  A  21  SER  A  20  .  ?        ?  
 176   3  1  A  22  ASP  A  21  .  ?        ?  
 177   3  1  A  23  THR  A  22  .  ?        1  
 178   3  1  A  24  ILE  A  23  .  ?        2  
 179   3  1  A  25  GLU  A  24  .  ?        ?  
 180   3  1  A  26  ASN  A  25  .  ?        ?  
 181   3  1  A  27  VAL  A  26  .  ?        2  
 182   3  1  A  28  LYS  A  27  .  ?        ?  
 183   3  1  A  29  ALA  A  28  .  ?        ?  
 184   3  1  A  30  LYS  A  29  .  ?        ?  
 185   3  1  A  31  ILE  A  30  .  ?        1  
 186   3  1  A  32  GLN  A  31  .  ?        ?  
 187   3  1  A  33  ASP  A  32  .  ?        ?  
 188   3  1  A  34  LYS  A  33  .  ?        ?  
 189   3  1  A  35  GLU  A  34  .  ?        ?  
 190   3  1  A  36  GLY  A  35  .  ?        ?  
 191   3  1  A  37  ILE  A  36  .  ?        ?  
 192   3  1  A  38  PRO  A  37  .  ?        ?  
 193   3  1  A  39  PRO  A  38  .  ?        ?  
 194   3  1  A  40  ASP  A  39  .  ?        ?  
 195   3  1  A  41  GLN  A  40  .  ?        ?  
 196   3  1  A  42  GLN  A  41  .  ?        ?  
 197   3  1  A  43  ARG  A  42  .  ?        1  
 198   3  1  A  44  LEU  A  43  .  ?        ?  
 199   3  1  A  45  ILE  A  44  .  ?        ?  
 200   3  1  A  46  PHE  A  45  .  ?        ?  
 201   3  1  A  47  ALA  A  46  .  ?        ?  
 202   3  1  A  48  GLY  A  47  .  ?        ?  
 203   3  1  A  49  LYS  A  48  .  ?        ?  
 204   3  1  A  50  GLN  A  49  .  ?        ?  
 205   3  1  A  51  LEU  A  50  .  ?        2  
 206   3  1  A  52  GLU  A  51  .  ?        ?  
 207   3  1  A  53  ASP  A  52  .  ?        ?  
 208   3  1  A  54  GLY  A  53  .  ?        ?  
 209   3  1  A  55  ARG  A  54  .  ?        ?  
 210   3  1  A  56  THR  A  55  .  ?        ?  
 211   3  1  A  57  LEU  A  56  .  ?        1  
 212   3  1  A  58  SER  A  57  .  ?        ?  
 213   3  1  A  59  ASP  A  58  .  ?        ?  
 214   3  1  A  60  TYR  A  59  .  ?        ?  
 215   3  1  A  61  ASN  A  60  .  ?        ?  
 216   3  1  A  62  ILE  A  61  .  ?        1  
 217   3  1  A  63  GLN  A  62  .  ?        ?  
 218   3  1  A  64  LYS  A  63  .  ?        1  
 219   3  1  A  65  GLU  A  64  .  ?        1  
 220   3  1  A  66  SER  A  65  .  ?        ?  
 221   3  1  A  67  THR  A  66  .  ?        ?  
 222   3  1  A  68  LEU  A  67  .  ?        ?  
 223   3  1  A  69  HIS  A  68  .  ?        ?  
 224   3  1  A  70  LEU  A  69  .  ?        ?  
 225   3  1  A  71  VAL  A  70  .  ?        1  
 226   3  1  A  72  LEU  A  71  .  ?        ?  
 227   3  1  A  73  ARG  A  72  .  ?        ?  
 228   3  1  A  74  LEU  A  73  .  ?        ?  
 229   3  1  A  75  ARG  A  74  .  ?        ?  
 230   3  1  A  76  GLY  A  75  .  ?        ?  
 231   3  1  A  77  GLY  A  76  .  ?        ?  
 232   4  1  A   1  GLY  A   0  .  ?        ?  
 233   4  1  A   2  MET  A   1  .  ?        ?  
 234   4  1  A   3  GLN  A   2  .  ?        ?  
 235   4  1  A   4  ILE  A   3  .  ?        ?  
 236   4  1  A   5  PHE  A   4  .  ?        ?  
 237   4  1  A   6  VAL  A   5  .  ?        ?  
 238   4  1  A   7  LYS  A   6  .  ?        ?  
 239   4  1  A   8  THR  A   7  .  ?        ?  
 240   4  1  A   9  LEU  A   8  .  ?        2  
 241   4  1  A  10  THR  A   9  .  ?        ?  
 242   4  1  A  11  GLY  A  10  .  ?        ?  
 243   4  1  A  12  LYS  A  11  .  ?        ?  
 244   4  1  A  13  THR  A  12  .  ?        ?  
 245   4  1  A  14  ILE  A  13  .  ?        ?  
 246   4  1  A  15  THR  A  14  .  ?        ?  
 247   4  1  A  16  LEU  A  15  .  ?        ?  
 248   4  1  A  17  GLU  A  16  .  ?        ?  
 249   4  1  A  18  VAL  A  17  .  ?        ?  
 250   4  1  A  19  GLU  A  18  .  ?        ?  
 251   4  1  A  20  PRO  A  19  .  ?        ?  
 252   4  1  A  21  SER  A  20  .  ?        ?  
 253   4  1  A  22  ASP  A  21  .  ?        ?  
 254   4  1  A  23  THR  A  22  .  ?        ?  
 255   4  1  A  24  ILE  A  23  .  ?        2  
 256   4  1  A  25  GLU  A  24  .  ?        ?  
 257   4  1  A  26  ASN  A  25  .  ?        ?  
 258   4  1  A  27  VAL  A  26  .  ?        ?  
 259   4  1  A  28  LYS  A  27  .  ?        ?  
 260   4  1  A  29  ALA  A  28  .  ?        ?  
 261   4  1  A  30  LYS  A  29  .  ?        ?  
 262   4  1  A  31  ILE  A  30  .  ?        ?  
 263   4  1  A  32  GLN  A  31  .  ?        ?  
 264   4  1  A  33  ASP  A  32  .  ?        ?  
 265   4  1  A  34  LYS  A  33  .  ?        ?  
 266   4  1  A  35  GLU  A  34  .  ?        ?  
 267   4  1  A  36  GLY  A  35  .  ?        ?  
 268   4  1  A  37  ILE  A  36  .  ?        ?  
 269   4  1  A  38  PRO  A  37  .  ?        ?  
 270   4  1  A  39  PRO  A  38  .  ?        ?  
 271   4  1  A  40  ASP  A  39  .  ?        ?  
 272   4  1  A  41  GLN  A  40  .  ?        ?  
 273   4  1  A  42  GLN  A  41  .  ?        ?  
 274   4  1  A  43  ARG  A  42  .  ?        ?  
 275   4  1  A  44  LEU  A  43  .  ?        ?  
 276   4  1  A  45  ILE  A  44  .  ?        ?  
 277   4  1  A  46  PHE  A  45  .  ?        ?  
 278   4  1  A  47  ALA  A  46  .  ?        ?  
 279   4  1  A  48  GLY  A  47  .  ?        ?  
 280   4  1  A  49  LYS  A  48  .  ?        ?  
 281   4  1  A  50  GLN  A  49  .  ?        ?  
 282   4  1  A  51  LEU  A  50  .  ?        2  
 283   4  1  A  52  GLU  A  51  .  ?        1  
 284   4  1  A  53  ASP  A  52  .  ?        ?  
 285   4  1  A  54  GLY  A  53  .  ?        ?  
 286   4  1  A  55  ARG  A  54  .  ?        ?  
 287   4  1  A  56  THR  A  55  .  ?        ?  
 288   4  1  A  57  LEU  A  56  .  ?        ?  
 289   4  1  A  58  SER  A  57  .  ?        ?  
 290   4  1  A  59  ASP  A  58  .  ?        ?  
 291   4  1  A  60  TYR  A  59  .  ?        1  
 292   4  1  A  61  ASN  A  60  .  ?        ?  
 293   4  1  A  62  ILE  A  61  .  ?        ?  
 294   4  1  A  63  GLN  A  62  .  ?        ?  
 295   4  1  A  64  LYS  A  63  .  ?        ?  
 296   4  1  A  65  GLU  A  64  .  ?        ?  
 297   4  1  A  66  SER  A  65  .  ?        ?  
 298   4  1  A  67  THR  A  66  .  ?        ?  
 299   4  1  A  68  LEU  A  67  .  ?        ?  
 300   4  1  A  69  HIS  A  68  .  ?        ?  
 301   4  1  A  70  LEU  A  69  .  ?        ?  
 302   4  1  A  71  VAL  A  70  .  ?        ?  
 303   4  1  A  72  LEU  A  71  .  ?        2  
 304   4  1  A  73  ARG  A  72  .  ?        ?  
 305   4  1  A  74  LEU  A  73  .  ?        ?  
 306   4  1  A  75  ARG  A  74  .  ?        ?  
 307   4  1  A  76  GLY  A  75  .  ?        ?  
 308   4  1  A  77  GLY  A  76  .  ?        ?  
 309   5  1  A   1  GLY  A   0  .  ?        ?  
 310   5  1  A   2  MET  A   1  .  ?        ?  
 311   5  1  A   3  GLN  A   2  .  ?        ?  
 312   5  1  A   4  ILE  A   3  .  ?        ?  
 313   5  1  A   5  PHE  A   4  .  ?        ?  
 314   5  1  A   6  VAL  A   5  .  ?        1  
 315   5  1  A   7  LYS  A   6  .  ?        3  
 316   5  1  A   8  THR  A   7  .  ?        ?  
 317   5  1  A   9  LEU  A   8  .  ?        ?  
 318   5  1  A  10  THR  A   9  .  ?        ?  
 319   5  1  A  11  GLY  A  10  .  ?        ?  
 320   5  1  A  12  LYS  A  11  .  ?        ?  
 321   5  1  A  13  THR  A  12  .  ?        2  
 322   5  1  A  14  ILE  A  13  .  ?        ?  
 323   5  1  A  15  THR  A  14  .  ?        ?  
 324   5  1  A  16  LEU  A  15  .  ?        ?  
 325   5  1  A  17  GLU  A  16  .  ?        ?  
 326   5  1  A  18  VAL  A  17  .  ?        ?  
 327   5  1  A  19  GLU  A  18  .  ?        1  
 328   5  1  A  20  PRO  A  19  .  ?        ?  
 329   5  1  A  21  SER  A  20  .  ?        ?  
 330   5  1  A  22  ASP  A  21  .  ?        ?  
 331   5  1  A  23  THR  A  22  .  ?        1  
 332   5  1  A  24  ILE  A  23  .  ?        ?  
 333   5  1  A  25  GLU  A  24  .  ?        ?  
 334   5  1  A  26  ASN  A  25  .  ?        ?  
 335   5  1  A  27  VAL  A  26  .  ?        1  
 336   5  1  A  28  LYS  A  27  .  ?        ?  
 337   5  1  A  29  ALA  A  28  .  ?        ?  
 338   5  1  A  30  LYS  A  29  .  ?        ?  
 339   5  1  A  31  ILE  A  30  .  ?        ?  
 340   5  1  A  32  GLN  A  31  .  ?        ?  
 341   5  1  A  33  ASP  A  32  .  ?        ?  
 342   5  1  A  34  LYS  A  33  .  ?        ?  
 343   5  1  A  35  GLU  A  34  .  ?        ?  
 344   5  1  A  36  GLY  A  35  .  ?        ?  
 345   5  1  A  37  ILE  A  36  .  ?        ?  
 346   5  1  A  38  PRO  A  37  .  ?        ?  
 347   5  1  A  39  PRO  A  38  .  ?        ?  
 348   5  1  A  40  ASP  A  39  .  ?        ?  
 349   5  1  A  41  GLN  A  40  .  ?        ?  
 350   5  1  A  42  GLN  A  41  .  ?        ?  
 351   5  1  A  43  ARG  A  42  .  ?        ?  
 352   5  1  A  44  LEU  A  43  .  ?        ?  
 353   5  1  A  45  ILE  A  44  .  ?        ?  
 354   5  1  A  46  PHE  A  45  .  ?        ?  
 355   5  1  A  47  ALA  A  46  .  ?        ?  
 356   5  1  A  48  GLY  A  47  .  ?        ?  
 357   5  1  A  49  LYS  A  48  .  ?        ?  
 358   5  1  A  50  GLN  A  49  .  ?        ?  
 359   5  1  A  51  LEU  A  50  .  ?        ?  
 360   5  1  A  52  GLU  A  51  .  ?        ?  
 361   5  1  A  53  ASP  A  52  .  ?        ?  
 362   5  1  A  54  GLY  A  53  .  ?        ?  
 363   5  1  A  55  ARG  A  54  .  ?        ?  
 364   5  1  A  56  THR  A  55  .  ?        ?  
 365   5  1  A  57  LEU  A  56  .  ?        1  
 366   5  1  A  58  SER  A  57  .  ?        ?  
 367   5  1  A  59  ASP  A  58  .  ?        ?  
 368   5  1  A  60  TYR  A  59  .  ?        ?  
 369   5  1  A  61  ASN  A  60  .  ?        ?  
 370   5  1  A  62  ILE  A  61  .  ?        ?  
 371   5  1  A  63  GLN  A  62  .  ?        ?  
 372   5  1  A  64  LYS  A  63  .  ?        ?  
 373   5  1  A  65  GLU  A  64  .  ?        ?  
 374   5  1  A  66  SER  A  65  .  ?        ?  
 375   5  1  A  67  THR  A  66  .  ?        1  
 376   5  1  A  68  LEU  A  67  .  ?        ?  
 377   5  1  A  69  HIS  A  68  .  ?        ?  
 378   5  1  A  70  LEU  A  69  .  ?        1  
 379   5  1  A  71  VAL  A  70  .  ?        ?  
 380   5  1  A  72  LEU  A  71  .  ?        ?  
 381   5  1  A  73  ARG  A  72  .  ?        ?  
 382   5  1  A  74  LEU  A  73  .  ?        ?  
 383   5  1  A  75  ARG  A  74  .  ?        ?  
 384   5  1  A  76  GLY  A  75  .  ?        ?  
 385   5  1  A  77  GLY  A  76  .  ?        ?  
 386   6  1  A   1  GLY  A   0  .  ?        ?  
 387   6  1  A   2  MET  A   1  .  ?        ?  
 388   6  1  A   3  GLN  A   2  .  ?        ?  
 389   6  1  A   4  ILE  A   3  .  ?        ?  
 390   6  1  A   5  PHE  A   4  .  ?        ?  
 391   6  1  A   6  VAL  A   5  .  ?        2  
 392   6  1  A   7  LYS  A   6  .  ?        ?  
 393   6  1  A   8  THR  A   7  .  ?        ?  
 394   6  1  A   9  LEU  A   8  .  ?        ?  
 395   6  1  A  10  THR  A   9  .  ?        ?  
 396   6  1  A  11  GLY  A  10  .  ?        ?  
 397   6  1  A  12  LYS  A  11  .  ?        ?  
 398   6  1  A  13  THR  A  12  .  ?        ?  
 399   6  1  A  14  ILE  A  13  .  ?        ?  
 400   6  1  A  15  THR  A  14  .  ?        ?  
 401   6  1  A  16  LEU  A  15  .  ?        ?  
 402   6  1  A  17  GLU  A  16  .  ?        ?  
 403   6  1  A  18  VAL  A  17  .  ?        ?  
 404   6  1  A  19  GLU  A  18  .  ?        ?  
 405   6  1  A  20  PRO  A  19  .  ?        ?  
 406   6  1  A  21  SER  A  20  .  ?        ?  
 407   6  1  A  22  ASP  A  21  .  ?        ?  
 408   6  1  A  23  THR  A  22  .  ?        ?  
 409   6  1  A  24  ILE  A  23  .  ?        1  
 410   6  1  A  25  GLU  A  24  .  ?        ?  
 411   6  1  A  26  ASN  A  25  .  ?        ?  
 412   6  1  A  27  VAL  A  26  .  ?        ?  
 413   6  1  A  28  LYS  A  27  .  ?        ?  
 414   6  1  A  29  ALA  A  28  .  ?        ?  
 415   6  1  A  30  LYS  A  29  .  ?        ?  
 416   6  1  A  31  ILE  A  30  .  ?        ?  
 417   6  1  A  32  GLN  A  31  .  ?        ?  
 418   6  1  A  33  ASP  A  32  .  ?        ?  
 419   6  1  A  34  LYS  A  33  .  ?        ?  
 420   6  1  A  35  GLU  A  34  .  ?        ?  
 421   6  1  A  36  GLY  A  35  .  ?        ?  
 422   6  1  A  37  ILE  A  36  .  ?        ?  
 423   6  1  A  38  PRO  A  37  .  ?        ?  
 424   6  1  A  39  PRO  A  38  .  ?        ?  
 425   6  1  A  40  ASP  A  39  .  ?        ?  
 426   6  1  A  41  GLN  A  40  .  ?        ?  
 427   6  1  A  42  GLN  A  41  .  ?        ?  
 428   6  1  A  43  ARG  A  42  .  ?        ?  
 429   6  1  A  44  LEU  A  43  .  ?        ?  
 430   6  1  A  45  ILE  A  44  .  ?        ?  
 431   6  1  A  46  PHE  A  45  .  ?        ?  
 432   6  1  A  47  ALA  A  46  .  ?        ?  
 433   6  1  A  48  GLY  A  47  .  ?        ?  
 434   6  1  A  49  LYS  A  48  .  ?        ?  
 435   6  1  A  50  GLN  A  49  .  ?        ?  
 436   6  1  A  51  LEU  A  50  .  ?        ?  
 437   6  1  A  52  GLU  A  51  .  ?        ?  
 438   6  1  A  53  ASP  A  52  .  ?        ?  
 439   6  1  A  54  GLY  A  53  .  ?        ?  
 440   6  1  A  55  ARG  A  54  .  ?        1  
 441   6  1  A  56  THR  A  55  .  ?        ?  
 442   6  1  A  57  LEU  A  56  .  ?        1  
 443   6  1  A  58  SER  A  57  .  ?        ?  
 444   6  1  A  59  ASP  A  58  .  ?        ?  
 445   6  1  A  60  TYR  A  59  .  ?        ?  
 446   6  1  A  61  ASN  A  60  .  ?        ?  
 447   6  1  A  62  ILE  A  61  .  ?        1  
 448   6  1  A  63  GLN  A  62  .  ?        ?  
 449   6  1  A  64  LYS  A  63  .  ?        1  
 450   6  1  A  65  GLU  A  64  .  ?        1  
 451   6  1  A  66  SER  A  65  .  ?        ?  
 452   6  1  A  67  THR  A  66  .  ?        ?  
 453   6  1  A  68  LEU  A  67  .  ?        ?  
 454   6  1  A  69  HIS  A  68  .  ?        ?  
 455   6  1  A  70  LEU  A  69  .  ?        2  
 456   6  1  A  71  VAL  A  70  .  ?        ?  
 457   6  1  A  72  LEU  A  71  .  ?        ?  
 458   6  1  A  73  ARG  A  72  .  ?        ?  
 459   6  1  A  74  LEU  A  73  .  ?        1  
 460   6  1  A  75  ARG  A  74  .  ?        1  
 461   6  1  A  76  GLY  A  75  .  ?        ?  
 462   6  1  A  77  GLY  A  76  .  ?        ?  
 463   7  1  A   1  GLY  A   0  .  ?        ?  
 464   7  1  A   2  MET  A   1  .  ?        ?  
 465   7  1  A   3  GLN  A   2  .  ?        ?  
 466   7  1  A   4  ILE  A   3  .  ?        ?  
 467   7  1  A   5  PHE  A   4  .  ?        ?  
 468   7  1  A   6  VAL  A   5  .  ?        ?  
 469   7  1  A   7  LYS  A   6  .  ?        ?  
 470   7  1  A   8  THR  A   7  .  ?        ?  
 471   7  1  A   9  LEU  A   8  .  ?        ?  
 472   7  1  A  10  THR  A   9  .  ?        ?  
 473   7  1  A  11  GLY  A  10  .  ?        ?  
 474   7  1  A  12  LYS  A  11  .  ?        ?  
 475   7  1  A  13  THR  A  12  .  ?        ?  
 476   7  1  A  14  ILE  A  13  .  ?        ?  
 477   7  1  A  15  THR  A  14  .  ?        ?  
 478   7  1  A  16  LEU  A  15  .  ?        ?  
 479   7  1  A  17  GLU  A  16  .  ?        ?  
 480   7  1  A  18  VAL  A  17  .  ?        ?  
 481   7  1  A  19  GLU  A  18  .  ?        ?  
 482   7  1  A  20  PRO  A  19  .  ?        ?  
 483   7  1  A  21  SER  A  20  .  ?        ?  
 484   7  1  A  22  ASP  A  21  .  ?        ?  
 485   7  1  A  23  THR  A  22  .  ?        1  
 486   7  1  A  24  ILE  A  23  .  ?        1  
 487   7  1  A  25  GLU  A  24  .  ?        ?  
 488   7  1  A  26  ASN  A  25  .  ?        ?  
 489   7  1  A  27  VAL  A  26  .  ?        1  
 490   7  1  A  28  LYS  A  27  .  ?        ?  
 491   7  1  A  29  ALA  A  28  .  ?        ?  
 492   7  1  A  30  LYS  A  29  .  ?        ?  
 493   7  1  A  31  ILE  A  30  .  ?        ?  
 494   7  1  A  32  GLN  A  31  .  ?        ?  
 495   7  1  A  33  ASP  A  32  .  ?        ?  
 496   7  1  A  34  LYS  A  33  .  ?        ?  
 497   7  1  A  35  GLU  A  34  .  ?        ?  
 498   7  1  A  36  GLY  A  35  .  ?        ?  
 499   7  1  A  37  ILE  A  36  .  ?        ?  
 500   7  1  A  38  PRO  A  37  .  ?        ?  
 501   7  1  A  39  PRO  A  38  .  ?        ?  
 502   7  1  A  40  ASP  A  39  .  ?        ?  
 503   7  1  A  41  GLN  A  40  .  ?        ?  
 504   7  1  A  42  GLN  A  41  .  ?        ?  
 505   7  1  A  43  ARG  A  42  .  ?        ?  
 506   7  1  A  44  LEU  A  43  .  ?        ?  
 507   7  1  A  45  ILE  A  44  .  ?        ?  
 508   7  1  A  46  PHE  A  45  .  ?        ?  
 509   7  1  A  47  ALA  A  46  .  ?        ?  
 510   7  1  A  48  GLY  A  47  .  ?        ?  
 511   7  1  A  49  LYS  A  48  .  ?        ?  
 512   7  1  A  50  GLN  A  49  .  ?        ?  
 513   7  1  A  51  LEU  A  50  .  ?        1  
 514   7  1  A  52  GLU  A  51  .  ?        ?  
 515   7  1  A  53  ASP  A  52  .  ?        ?  
 516   7  1  A  54  GLY  A  53  .  ?        ?  
 517   7  1  A  55  ARG  A  54  .  ?        ?  
 518   7  1  A  56  THR  A  55  .  ?        ?  
 519   7  1  A  57  LEU  A  56  .  ?        ?  
 520   7  1  A  58  SER  A  57  .  ?        ?  
 521   7  1  A  59  ASP  A  58  .  ?        ?  
 522   7  1  A  60  TYR  A  59  .  ?        ?  
 523   7  1  A  61  ASN  A  60  .  ?        ?  
 524   7  1  A  62  ILE  A  61  .  ?        ?  
 525   7  1  A  63  GLN  A  62  .  ?        ?  
 526   7  1  A  64  LYS  A  63  .  ?        ?  
 527   7  1  A  65  GLU  A  64  .  ?        ?  
 528   7  1  A  66  SER  A  65  .  ?        ?  
 529   7  1  A  67  THR  A  66  .  ?        ?  
 530   7  1  A  68  LEU  A  67  .  ?        ?  
 531   7  1  A  69  HIS  A  68  .  ?        ?  
 532   7  1  A  70  LEU  A  69  .  ?        ?  
 533   7  1  A  71  VAL  A  70  .  ?        ?  
 534   7  1  A  72  LEU  A  71  .  ?        ?  
 535   7  1  A  73  ARG  A  72  .  ?        ?  
 536   7  1  A  74  LEU  A  73  .  ?        ?  
 537   7  1  A  75  ARG  A  74  .  ?        ?  
 538   7  1  A  76  GLY  A  75  .  ?        ?  
 539   7  1  A  77  GLY  A  76  .  ?        ?  
 540   8  1  A   1  GLY  A   0  .  ?        1  
 541   8  1  A   2  MET  A   1  .  ?        1  
 542   8  1  A   3  GLN  A   2  .  ?        ?  
 543   8  1  A   4  ILE  A   3  .  ?        ?  
 544   8  1  A   5  PHE  A   4  .  ?        ?  
 545   8  1  A   6  VAL  A   5  .  ?        ?  
 546   8  1  A   7  LYS  A   6  .  ?        ?  
 547   8  1  A   8  THR  A   7  .  ?        ?  
 548   8  1  A   9  LEU  A   8  .  ?        ?  
 549   8  1  A  10  THR  A   9  .  ?        ?  
 550   8  1  A  11  GLY  A  10  .  ?        ?  
 551   8  1  A  12  LYS  A  11  .  ?        ?  
 552   8  1  A  13  THR  A  12  .  ?        ?  
 553   8  1  A  14  ILE  A  13  .  ?        ?  
 554   8  1  A  15  THR  A  14  .  ?        ?  
 555   8  1  A  16  LEU  A  15  .  ?        ?  
 556   8  1  A  17  GLU  A  16  .  ?        ?  
 557   8  1  A  18  VAL  A  17  .  ?        ?  
 558   8  1  A  19  GLU  A  18  .  ?        ?  
 559   8  1  A  20  PRO  A  19  .  ?        ?  
 560   8  1  A  21  SER  A  20  .  ?        ?  
 561   8  1  A  22  ASP  A  21  .  ?        ?  
 562   8  1  A  23  THR  A  22  .  ?        1  
 563   8  1  A  24  ILE  A  23  .  ?        ?  
 564   8  1  A  25  GLU  A  24  .  ?        ?  
 565   8  1  A  26  ASN  A  25  .  ?        ?  
 566   8  1  A  27  VAL  A  26  .  ?        ?  
 567   8  1  A  28  LYS  A  27  .  ?        ?  
 568   8  1  A  29  ALA  A  28  .  ?        ?  
 569   8  1  A  30  LYS  A  29  .  ?        ?  
 570   8  1  A  31  ILE  A  30  .  ?        ?  
 571   8  1  A  32  GLN  A  31  .  ?        ?  
 572   8  1  A  33  ASP  A  32  .  ?        ?  
 573   8  1  A  34  LYS  A  33  .  ?        ?  
 574   8  1  A  35  GLU  A  34  .  ?        ?  
 575   8  1  A  36  GLY  A  35  .  ?        ?  
 576   8  1  A  37  ILE  A  36  .  ?        ?  
 577   8  1  A  38  PRO  A  37  .  ?        ?  
 578   8  1  A  39  PRO  A  38  .  ?        ?  
 579   8  1  A  40  ASP  A  39  .  ?        ?  
 580   8  1  A  41  GLN  A  40  .  ?        ?  
 581   8  1  A  42  GLN  A  41  .  ?        ?  
 582   8  1  A  43  ARG  A  42  .  ?        1  
 583   8  1  A  44  LEU  A  43  .  ?        ?  
 584   8  1  A  45  ILE  A  44  .  ?        ?  
 585   8  1  A  46  PHE  A  45  .  ?        ?  
 586   8  1  A  47  ALA  A  46  .  ?        ?  
 587   8  1  A  48  GLY  A  47  .  ?        ?  
 588   8  1  A  49  LYS  A  48  .  ?        ?  
 589   8  1  A  50  GLN  A  49  .  ?        ?  
 590   8  1  A  51  LEU  A  50  .  ?        1  
 591   8  1  A  52  GLU  A  51  .  ?        ?  
 592   8  1  A  53  ASP  A  52  .  ?        ?  
 593   8  1  A  54  GLY  A  53  .  ?        ?  
 594   8  1  A  55  ARG  A  54  .  ?        ?  
 595   8  1  A  56  THR  A  55  .  ?        1  
 596   8  1  A  57  LEU  A  56  .  ?        1  
 597   8  1  A  58  SER  A  57  .  ?        ?  
 598   8  1  A  59  ASP  A  58  .  ?        ?  
 599   8  1  A  60  TYR  A  59  .  ?        2  
 600   8  1  A  61  ASN  A  60  .  ?        ?  
 601   8  1  A  62  ILE  A  61  .  ?        2  
 602   8  1  A  63  GLN  A  62  .  ?        ?  
 603   8  1  A  64  LYS  A  63  .  ?        ?  
 604   8  1  A  65  GLU  A  64  .  ?        ?  
 605   8  1  A  66  SER  A  65  .  ?        ?  
 606   8  1  A  67  THR  A  66  .  ?        ?  
 607   8  1  A  68  LEU  A  67  .  ?        ?  
 608   8  1  A  69  HIS  A  68  .  ?        ?  
 609   8  1  A  70  LEU  A  69  .  ?        1  
 610   8  1  A  71  VAL  A  70  .  ?        2  
 611   8  1  A  72  LEU  A  71  .  ?        ?  
 612   8  1  A  73  ARG  A  72  .  ?        ?  
 613   8  1  A  74  LEU  A  73  .  ?        ?  
 614   8  1  A  75  ARG  A  74  .  ?        ?  
 615   8  1  A  76  GLY  A  75  .  ?        ?  
 616   8  1  A  77  GLY  A  76  .  ?        ?  
 617   9  1  A   1  GLY  A   0  .  ?        ?  
 618   9  1  A   2  MET  A   1  .  ?        ?  
 619   9  1  A   3  GLN  A   2  .  ?        ?  
 620   9  1  A   4  ILE  A   3  .  ?        ?  
 621   9  1  A   5  PHE  A   4  .  ?        ?  
 622   9  1  A   6  VAL  A   5  .  ?        ?  
 623   9  1  A   7  LYS  A   6  .  ?        ?  
 624   9  1  A   8  THR  A   7  .  ?        1  
 625   9  1  A   9  LEU  A   8  .  ?        ?  
 626   9  1  A  10  THR  A   9  .  ?        ?  
 627   9  1  A  11  GLY  A  10  .  ?        ?  
 628   9  1  A  12  LYS  A  11  .  ?        ?  
 629   9  1  A  13  THR  A  12  .  ?        ?  
 630   9  1  A  14  ILE  A  13  .  ?        ?  
 631   9  1  A  15  THR  A  14  .  ?        ?  
 632   9  1  A  16  LEU  A  15  .  ?        ?  
 633   9  1  A  17  GLU  A  16  .  ?        ?  
 634   9  1  A  18  VAL  A  17  .  ?        ?  
 635   9  1  A  19  GLU  A  18  .  ?        ?  
 636   9  1  A  20  PRO  A  19  .  ?        ?  
 637   9  1  A  21  SER  A  20  .  ?        ?  
 638   9  1  A  22  ASP  A  21  .  ?        ?  
 639   9  1  A  23  THR  A  22  .  ?        ?  
 640   9  1  A  24  ILE  A  23  .  ?        ?  
 641   9  1  A  25  GLU  A  24  .  ?        ?  
 642   9  1  A  26  ASN  A  25  .  ?        ?  
 643   9  1  A  27  VAL  A  26  .  ?        ?  
 644   9  1  A  28  LYS  A  27  .  ?        ?  
 645   9  1  A  29  ALA  A  28  .  ?        ?  
 646   9  1  A  30  LYS  A  29  .  ?        ?  
 647   9  1  A  31  ILE  A  30  .  ?        ?  
 648   9  1  A  32  GLN  A  31  .  ?        ?  
 649   9  1  A  33  ASP  A  32  .  ?        ?  
 650   9  1  A  34  LYS  A  33  .  ?        ?  
 651   9  1  A  35  GLU  A  34  .  ?        ?  
 652   9  1  A  36  GLY  A  35  .  ?        ?  
 653   9  1  A  37  ILE  A  36  .  ?        ?  
 654   9  1  A  38  PRO  A  37  .  ?        ?  
 655   9  1  A  39  PRO  A  38  .  ?        ?  
 656   9  1  A  40  ASP  A  39  .  ?        ?  
 657   9  1  A  41  GLN  A  40  .  ?        ?  
 658   9  1  A  42  GLN  A  41  .  ?        ?  
 659   9  1  A  43  ARG  A  42  .  ?        ?  
 660   9  1  A  44  LEU  A  43  .  ?        ?  
 661   9  1  A  45  ILE  A  44  .  ?        ?  
 662   9  1  A  46  PHE  A  45  .  ?        ?  
 663   9  1  A  47  ALA  A  46  .  ?        ?  
 664   9  1  A  48  GLY  A  47  .  ?        ?  
 665   9  1  A  49  LYS  A  48  .  ?        ?  
 666   9  1  A  50  GLN  A  49  .  ?        ?  
 667   9  1  A  51  LEU  A  50  .  ?        ?  
 668   9  1  A  52  GLU  A  51  .  ?        ?  
 669   9  1  A  53  ASP  A  52  .  ?        ?  
 670   9  1  A  54  GLY  A  53  .  ?        ?  
 671   9  1  A  55  ARG  A  54  .  ?        ?  
 672   9  1  A  56  THR  A  55  .  ?        ?  
 673   9  1  A  57  LEU  A  56  .  ?        ?  
 674   9  1  A  58  SER  A  57  .  ?        ?  
 675   9  1  A  59  ASP  A  58  .  ?        ?  
 676   9  1  A  60  TYR  A  59  .  ?        ?  
 677   9  1  A  61  ASN  A  60  .  ?        ?  
 678   9  1  A  62  ILE  A  61  .  ?        ?  
 679   9  1  A  63  GLN  A  62  .  ?        ?  
 680   9  1  A  64  LYS  A  63  .  ?        1  
 681   9  1  A  65  GLU  A  64  .  ?        1  
 682   9  1  A  66  SER  A  65  .  ?        ?  
 683   9  1  A  67  THR  A  66  .  ?        ?  
 684   9  1  A  68  LEU  A  67  .  ?        ?  
 685   9  1  A  69  HIS  A  68  .  ?        ?  
 686   9  1  A  70  LEU  A  69  .  ?        1  
 687   9  1  A  71  VAL  A  70  .  ?        ?  
 688   9  1  A  72  LEU  A  71  .  ?        ?  
 689   9  1  A  73  ARG  A  72  .  ?        ?  
 690   9  1  A  74  LEU  A  73  .  ?        ?  
 691   9  1  A  75  ARG  A  74  .  ?        ?  
 692   9  1  A  76  GLY  A  75  .  ?        ?  
 693   9  1  A  77  GLY  A  76  .  ?        ?  
 694  10  1  A   1  GLY  A   0  .  ?        ?  
 695  10  1  A   2  MET  A   1  .  ?        ?  
 696  10  1  A   3  GLN  A   2  .  ?        ?  
 697  10  1  A   4  ILE  A   3  .  ?        ?  
 698  10  1  A   5  PHE  A   4  .  ?        ?  
 699  10  1  A   6  VAL  A   5  .  ?        ?  
 700  10  1  A   7  LYS  A   6  .  ?        ?  
 701  10  1  A   8  THR  A   7  .  ?        ?  
 702  10  1  A   9  LEU  A   8  .  ?        ?  
 703  10  1  A  10  THR  A   9  .  ?        ?  
 704  10  1  A  11  GLY  A  10  .  ?        ?  
 705  10  1  A  12  LYS  A  11  .  ?        ?  
 706  10  1  A  13  THR  A  12  .  ?        ?  
 707  10  1  A  14  ILE  A  13  .  ?        ?  
 708  10  1  A  15  THR  A  14  .  ?        ?  
 709  10  1  A  16  LEU  A  15  .  ?        ?  
 710  10  1  A  17  GLU  A  16  .  ?        ?  
 711  10  1  A  18  VAL  A  17  .  ?        2  
 712  10  1  A  19  GLU  A  18  .  ?        ?  
 713  10  1  A  20  PRO  A  19  .  ?        ?  
 714  10  1  A  21  SER  A  20  .  ?        ?  
 715  10  1  A  22  ASP  A  21  .  ?        ?  
 716  10  1  A  23  THR  A  22  .  ?        1  
 717  10  1  A  24  ILE  A  23  .  ?        2  
 718  10  1  A  25  GLU  A  24  .  ?        ?  
 719  10  1  A  26  ASN  A  25  .  ?        ?  
 720  10  1  A  27  VAL  A  26  .  ?        1  
 721  10  1  A  28  LYS  A  27  .  ?        ?  
 722  10  1  A  29  ALA  A  28  .  ?        ?  
 723  10  1  A  30  LYS  A  29  .  ?        ?  
 724  10  1  A  31  ILE  A  30  .  ?        ?  
 725  10  1  A  32  GLN  A  31  .  ?        ?  
 726  10  1  A  33  ASP  A  32  .  ?        ?  
 727  10  1  A  34  LYS  A  33  .  ?        ?  
 728  10  1  A  35  GLU  A  34  .  ?        ?  
 729  10  1  A  36  GLY  A  35  .  ?        ?  
 730  10  1  A  37  ILE  A  36  .  ?        ?  
 731  10  1  A  38  PRO  A  37  .  ?        ?  
 732  10  1  A  39  PRO  A  38  .  ?        ?  
 733  10  1  A  40  ASP  A  39  .  ?        ?  
 734  10  1  A  41  GLN  A  40  .  ?        ?  
 735  10  1  A  42  GLN  A  41  .  ?        ?  
 736  10  1  A  43  ARG  A  42  .  ?        ?  
 737  10  1  A  44  LEU  A  43  .  ?        ?  
 738  10  1  A  45  ILE  A  44  .  ?        1  
 739  10  1  A  46  PHE  A  45  .  ?        1  
 740  10  1  A  47  ALA  A  46  .  ?        ?  
 741  10  1  A  48  GLY  A  47  .  ?        ?  
 742  10  1  A  49  LYS  A  48  .  ?        ?  
 743  10  1  A  50  GLN  A  49  .  ?        ?  
 744  10  1  A  51  LEU  A  50  .  ?        2  
 745  10  1  A  52  GLU  A  51  .  ?        ?  
 746  10  1  A  53  ASP  A  52  .  ?        ?  
 747  10  1  A  54  GLY  A  53  .  ?        ?  
 748  10  1  A  55  ARG  A  54  .  ?        ?  
 749  10  1  A  56  THR  A  55  .  ?        ?  
 750  10  1  A  57  LEU  A  56  .  ?        2  
 751  10  1  A  58  SER  A  57  .  ?        ?  
 752  10  1  A  59  ASP  A  58  .  ?        ?  
 753  10  1  A  60  TYR  A  59  .  ?        ?  
 754  10  1  A  61  ASN  A  60  .  ?        ?  
 755  10  1  A  62  ILE  A  61  .  ?        ?  
 756  10  1  A  63  GLN  A  62  .  ?        ?  
 757  10  1  A  64  LYS  A  63  .  ?        1  
 758  10  1  A  65  GLU  A  64  .  ?        1  
 759  10  1  A  66  SER  A  65  .  ?        ?  
 760  10  1  A  67  THR  A  66  .  ?        1  
 761  10  1  A  68  LEU  A  67  .  ?        1  
 762  10  1  A  69  HIS  A  68  .  ?        ?  
 763  10  1  A  70  LEU  A  69  .  ?        ?  
 764  10  1  A  71  VAL  A  70  .  ?        ?  
 765  10  1  A  72  LEU  A  71  .  ?        ?  
 766  10  1  A  73  ARG  A  72  .  ?        ?  
 767  10  1  A  74  LEU  A  73  .  ?        ?  
 768  10  1  A  75  ARG  A  74  .  ?        ?  
 769  10  1  A  76  GLY  A  75  .  ?        ?  
 770  10  1  A  77  GLY  A  76  .  ?        ?  
 771  11  1  A   1  GLY  A   0  .  ?        ?  
 772  11  1  A   2  MET  A   1  .  ?        ?  
 773  11  1  A   3  GLN  A   2  .  ?        ?  
 774  11  1  A   4  ILE  A   3  .  ?        ?  
 775  11  1  A   5  PHE  A   4  .  ?        2  
 776  11  1  A   6  VAL  A   5  .  ?        ?  
 777  11  1  A   7  LYS  A   6  .  ?        ?  
 778  11  1  A   8  THR  A   7  .  ?        ?  
 779  11  1  A   9  LEU  A   8  .  ?        ?  
 780  11  1  A  10  THR  A   9  .  ?        ?  
 781  11  1  A  11  GLY  A  10  .  ?        ?  
 782  11  1  A  12  LYS  A  11  .  ?        ?  
 783  11  1  A  13  THR  A  12  .  ?        2  
 784  11  1  A  14  ILE  A  13  .  ?        ?  
 785  11  1  A  15  THR  A  14  .  ?        ?  
 786  11  1  A  16  LEU  A  15  .  ?        ?  
 787  11  1  A  17  GLU  A  16  .  ?        ?  
 788  11  1  A  18  VAL  A  17  .  ?        ?  
 789  11  1  A  19  GLU  A  18  .  ?        ?  
 790  11  1  A  20  PRO  A  19  .  ?        ?  
 791  11  1  A  21  SER  A  20  .  ?        ?  
 792  11  1  A  22  ASP  A  21  .  ?        ?  
 793  11  1  A  23  THR  A  22  .  ?        2  
 794  11  1  A  24  ILE  A  23  .  ?        ?  
 795  11  1  A  25  GLU  A  24  .  ?        ?  
 796  11  1  A  26  ASN  A  25  .  ?        1  
 797  11  1  A  27  VAL  A  26  .  ?        1  
 798  11  1  A  28  LYS  A  27  .  ?        ?  
 799  11  1  A  29  ALA  A  28  .  ?        ?  
 800  11  1  A  30  LYS  A  29  .  ?        ?  
 801  11  1  A  31  ILE  A  30  .  ?        ?  
 802  11  1  A  32  GLN  A  31  .  ?        ?  
 803  11  1  A  33  ASP  A  32  .  ?        ?  
 804  11  1  A  34  LYS  A  33  .  ?        ?  
 805  11  1  A  35  GLU  A  34  .  ?        ?  
 806  11  1  A  36  GLY  A  35  .  ?        ?  
 807  11  1  A  37  ILE  A  36  .  ?        ?  
 808  11  1  A  38  PRO  A  37  .  ?        ?  
 809  11  1  A  39  PRO  A  38  .  ?        ?  
 810  11  1  A  40  ASP  A  39  .  ?        ?  
 811  11  1  A  41  GLN  A  40  .  ?        ?  
 812  11  1  A  42  GLN  A  41  .  ?        ?  
 813  11  1  A  43  ARG  A  42  .  ?        ?  
 814  11  1  A  44  LEU  A  43  .  ?        ?  
 815  11  1  A  45  ILE  A  44  .  ?        ?  
 816  11  1  A  46  PHE  A  45  .  ?        ?  
 817  11  1  A  47  ALA  A  46  .  ?        ?  
 818  11  1  A  48  GLY  A  47  .  ?        ?  
 819  11  1  A  49  LYS  A  48  .  ?        ?  
 820  11  1  A  50  GLN  A  49  .  ?        ?  
 821  11  1  A  51  LEU  A  50  .  ?        ?  
 822  11  1  A  52  GLU  A  51  .  ?        ?  
 823  11  1  A  53  ASP  A  52  .  ?        ?  
 824  11  1  A  54  GLY  A  53  .  ?        ?  
 825  11  1  A  55  ARG  A  54  .  ?        ?  
 826  11  1  A  56  THR  A  55  .  ?        ?  
 827  11  1  A  57  LEU  A  56  .  ?        ?  
 828  11  1  A  58  SER  A  57  .  ?        ?  
 829  11  1  A  59  ASP  A  58  .  ?        ?  
 830  11  1  A  60  TYR  A  59  .  ?        ?  
 831  11  1  A  61  ASN  A  60  .  ?        ?  
 832  11  1  A  62  ILE  A  61  .  ?        5  
 833  11  1  A  63  GLN  A  62  .  ?        ?  
 834  11  1  A  64  LYS  A  63  .  ?        1  
 835  11  1  A  65  GLU  A  64  .  ?        1  
 836  11  1  A  66  SER  A  65  .  ?        1  
 837  11  1  A  67  THR  A  66  .  ?        ?  
 838  11  1  A  68  LEU  A  67  .  ?        ?  
 839  11  1  A  69  HIS  A  68  .  ?        ?  
 840  11  1  A  70  LEU  A  69  .  ?        ?  
 841  11  1  A  71  VAL  A  70  .  ?        ?  
 842  11  1  A  72  LEU  A  71  .  ?        ?  
 843  11  1  A  73  ARG  A  72  .  ?        ?  
 844  11  1  A  74  LEU  A  73  .  ?        ?  
 845  11  1  A  75  ARG  A  74  .  ?        ?  
 846  11  1  A  76  GLY  A  75  .  ?        ?  
 847  11  1  A  77  GLY  A  76  .  ?        ?  
 848  12  1  A   1  GLY  A   0  .  ?        ?  
 849  12  1  A   2  MET  A   1  .  ?        ?  
 850  12  1  A   3  GLN  A   2  .  ?        ?  
 851  12  1  A   4  ILE  A   3  .  ?        1  
 852  12  1  A   5  PHE  A   4  .  ?        1  
 853  12  1  A   6  VAL  A   5  .  ?        ?  
 854  12  1  A   7  LYS  A   6  .  ?        ?  
 855  12  1  A   8  THR  A   7  .  ?        ?  
 856  12  1  A   9  LEU  A   8  .  ?        ?  
 857  12  1  A  10  THR  A   9  .  ?        ?  
 858  12  1  A  11  GLY  A  10  .  ?        ?  
 859  12  1  A  12  LYS  A  11  .  ?        ?  
 860  12  1  A  13  THR  A  12  .  ?        1  
 861  12  1  A  14  ILE  A  13  .  ?        ?  
 862  12  1  A  15  THR  A  14  .  ?        ?  
 863  12  1  A  16  LEU  A  15  .  ?        ?  
 864  12  1  A  17  GLU  A  16  .  ?        ?  
 865  12  1  A  18  VAL  A  17  .  ?        1  
 866  12  1  A  19  GLU  A  18  .  ?        ?  
 867  12  1  A  20  PRO  A  19  .  ?        ?  
 868  12  1  A  21  SER  A  20  .  ?        ?  
 869  12  1  A  22  ASP  A  21  .  ?        ?  
 870  12  1  A  23  THR  A  22  .  ?        1  
 871  12  1  A  24  ILE  A  23  .  ?        ?  
 872  12  1  A  25  GLU  A  24  .  ?        ?  
 873  12  1  A  26  ASN  A  25  .  ?        ?  
 874  12  1  A  27  VAL  A  26  .  ?        1  
 875  12  1  A  28  LYS  A  27  .  ?        ?  
 876  12  1  A  29  ALA  A  28  .  ?        ?  
 877  12  1  A  30  LYS  A  29  .  ?        ?  
 878  12  1  A  31  ILE  A  30  .  ?        ?  
 879  12  1  A  32  GLN  A  31  .  ?        ?  
 880  12  1  A  33  ASP  A  32  .  ?        ?  
 881  12  1  A  34  LYS  A  33  .  ?        ?  
 882  12  1  A  35  GLU  A  34  .  ?        ?  
 883  12  1  A  36  GLY  A  35  .  ?        ?  
 884  12  1  A  37  ILE  A  36  .  ?        ?  
 885  12  1  A  38  PRO  A  37  .  ?        ?  
 886  12  1  A  39  PRO  A  38  .  ?        ?  
 887  12  1  A  40  ASP  A  39  .  ?        ?  
 888  12  1  A  41  GLN  A  40  .  ?        ?  
 889  12  1  A  42  GLN  A  41  .  ?        ?  
 890  12  1  A  43  ARG  A  42  .  ?        ?  
 891  12  1  A  44  LEU  A  43  .  ?        ?  
 892  12  1  A  45  ILE  A  44  .  ?        ?  
 893  12  1  A  46  PHE  A  45  .  ?        ?  
 894  12  1  A  47  ALA  A  46  .  ?        ?  
 895  12  1  A  48  GLY  A  47  .  ?        ?  
 896  12  1  A  49  LYS  A  48  .  ?        ?  
 897  12  1  A  50  GLN  A  49  .  ?        ?  
 898  12  1  A  51  LEU  A  50  .  ?        ?  
 899  12  1  A  52  GLU  A  51  .  ?        ?  
 900  12  1  A  53  ASP  A  52  .  ?        ?  
 901  12  1  A  54  GLY  A  53  .  ?        ?  
 902  12  1  A  55  ARG  A  54  .  ?        ?  
 903  12  1  A  56  THR  A  55  .  ?        ?  
 904  12  1  A  57  LEU  A  56  .  ?        ?  
 905  12  1  A  58  SER  A  57  .  ?        ?  
 906  12  1  A  59  ASP  A  58  .  ?        ?  
 907  12  1  A  60  TYR  A  59  .  ?        ?  
 908  12  1  A  61  ASN  A  60  .  ?        ?  
 909  12  1  A  62  ILE  A  61  .  ?        ?  
 910  12  1  A  63  GLN  A  62  .  ?        ?  
 911  12  1  A  64  LYS  A  63  .  ?        1  
 912  12  1  A  65  GLU  A  64  .  ?        1  
 913  12  1  A  66  SER  A  65  .  ?        ?  
 914  12  1  A  67  THR  A  66  .  ?        ?  
 915  12  1  A  68  LEU  A  67  .  ?        ?  
 916  12  1  A  69  HIS  A  68  .  ?        ?  
 917  12  1  A  70  LEU  A  69  .  ?        ?  
 918  12  1  A  71  VAL  A  70  .  ?        ?  
 919  12  1  A  72  LEU  A  71  .  ?        1  
 920  12  1  A  73  ARG  A  72  .  ?        1  
 921  12  1  A  74  LEU  A  73  .  ?        ?  
 922  12  1  A  75  ARG  A  74  .  ?        ?  
 923  12  1  A  76  GLY  A  75  .  ?        ?  
 924  12  1  A  77  GLY  A  76  .  ?        ?  
 925  13  1  A   1  GLY  A   0  .  ?        ?  
 926  13  1  A   2  MET  A   1  .  ?        ?  
 927  13  1  A   3  GLN  A   2  .  ?        ?  
 928  13  1  A   4  ILE  A   3  .  ?        ?  
 929  13  1  A   5  PHE  A   4  .  ?        ?  
 930  13  1  A   6  VAL  A   5  .  ?        7  
 931  13  1  A   7  LYS  A   6  .  ?        ?  
 932  13  1  A   8  THR  A   7  .  ?        1  
 933  13  1  A   9  LEU  A   8  .  ?        1  
 934  13  1  A  10  THR  A   9  .  ?        ?  
 935  13  1  A  11  GLY  A  10  .  ?        ?  
 936  13  1  A  12  LYS  A  11  .  ?        1  
 937  13  1  A  13  THR  A  12  .  ?        ?  
 938  13  1  A  14  ILE  A  13  .  ?        ?  
 939  13  1  A  15  THR  A  14  .  ?        ?  
 940  13  1  A  16  LEU  A  15  .  ?        ?  
 941  13  1  A  17  GLU  A  16  .  ?        ?  
 942  13  1  A  18  VAL  A  17  .  ?        ?  
 943  13  1  A  19  GLU  A  18  .  ?        ?  
 944  13  1  A  20  PRO  A  19  .  ?        ?  
 945  13  1  A  21  SER  A  20  .  ?        ?  
 946  13  1  A  22  ASP  A  21  .  ?        ?  
 947  13  1  A  23  THR  A  22  .  ?        1  
 948  13  1  A  24  ILE  A  23  .  ?        ?  
 949  13  1  A  25  GLU  A  24  .  ?        ?  
 950  13  1  A  26  ASN  A  25  .  ?        ?  
 951  13  1  A  27  VAL  A  26  .  ?        ?  
 952  13  1  A  28  LYS  A  27  .  ?        ?  
 953  13  1  A  29  ALA  A  28  .  ?        ?  
 954  13  1  A  30  LYS  A  29  .  ?        ?  
 955  13  1  A  31  ILE  A  30  .  ?        ?  
 956  13  1  A  32  GLN  A  31  .  ?        ?  
 957  13  1  A  33  ASP  A  32  .  ?        ?  
 958  13  1  A  34  LYS  A  33  .  ?        ?  
 959  13  1  A  35  GLU  A  34  .  ?        ?  
 960  13  1  A  36  GLY  A  35  .  ?        ?  
 961  13  1  A  37  ILE  A  36  .  ?        ?  
 962  13  1  A  38  PRO  A  37  .  ?        ?  
 963  13  1  A  39  PRO  A  38  .  ?        ?  
 964  13  1  A  40  ASP  A  39  .  ?        ?  
 965  13  1  A  41  GLN  A  40  .  ?        ?  
 966  13  1  A  42  GLN  A  41  .  ?        ?  
 967  13  1  A  43  ARG  A  42  .  ?        ?  
 968  13  1  A  44  LEU  A  43  .  ?        1  
 969  13  1  A  45  ILE  A  44  .  ?        ?  
 970  13  1  A  46  PHE  A  45  .  ?        ?  
 971  13  1  A  47  ALA  A  46  .  ?        ?  
 972  13  1  A  48  GLY  A  47  .  ?        ?  
 973  13  1  A  49  LYS  A  48  .  ?        ?  
 974  13  1  A  50  GLN  A  49  .  ?        ?  
 975  13  1  A  51  LEU  A  50  .  ?        ?  
 976  13  1  A  52  GLU  A  51  .  ?        ?  
 977  13  1  A  53  ASP  A  52  .  ?        ?  
 978  13  1  A  54  GLY  A  53  .  ?        ?  
 979  13  1  A  55  ARG  A  54  .  ?        ?  
 980  13  1  A  56  THR  A  55  .  ?        1  
 981  13  1  A  57  LEU  A  56  .  ?        ?  
 982  13  1  A  58  SER  A  57  .  ?        ?  
 983  13  1  A  59  ASP  A  58  .  ?        ?  
 984  13  1  A  60  TYR  A  59  .  ?        ?  
 985  13  1  A  61  ASN  A  60  .  ?        ?  
 986  13  1  A  62  ILE  A  61  .  ?        ?  
 987  13  1  A  63  GLN  A  62  .  ?        ?  
 988  13  1  A  64  LYS  A  63  .  ?        1  
 989  13  1  A  65  GLU  A  64  .  ?        1  
 990  13  1  A  66  SER  A  65  .  ?        ?  
 991  13  1  A  67  THR  A  66  .  ?        ?  
 992  13  1  A  68  LEU  A  67  .  ?        3  
 993  13  1  A  69  HIS  A  68  .  ?        ?  
 994  13  1  A  70  LEU  A  69  .  ?        5  
 995  13  1  A  71  VAL  A  70  .  ?        ?  
 996  13  1  A  72  LEU  A  71  .  ?        1  
 997  13  1  A  73  ARG  A  72  .  ?        4  
 998  13  1  A  74  LEU  A  73  .  ?        ?  
 999  13  1  A  75  ARG  A  74  .  ?        ?  
1000  13  1  A  76  GLY  A  75  .  ?        ?  
1001  13  1  A  77  GLY  A  76  .  ?        ?  
1002  14  1  A   1  GLY  A   0  .  ?        ?  
1003  14  1  A   2  MET  A   1  .  ?        ?  
1004  14  1  A   3  GLN  A   2  .  ?        ?  
1005  14  1  A   4  ILE  A   3  .  ?        ?  
1006  14  1  A   5  PHE  A   4  .  ?        1  
1007  14  1  A   6  VAL  A   5  .  ?        ?  
1008  14  1  A   7  LYS  A   6  .  ?        ?  
1009  14  1  A   8  THR  A   7  .  ?        2  
1010  14  1  A   9  LEU  A   8  .  ?        ?  
1011  14  1  A  10  THR  A   9  .  ?        1  
1012  14  1  A  11  GLY  A  10  .  ?        ?  
1013  14  1  A  12  LYS  A  11  .  ?        1  
1014  14  1  A  13  THR  A  12  .  ?        ?  
1015  14  1  A  14  ILE  A  13  .  ?        ?  
1016  14  1  A  15  THR  A  14  .  ?        1  
1017  14  1  A  16  LEU  A  15  .  ?        ?  
1018  14  1  A  17  GLU  A  16  .  ?        ?  
1019  14  1  A  18  VAL  A  17  .  ?        ?  
1020  14  1  A  19  GLU  A  18  .  ?        ?  
1021  14  1  A  20  PRO  A  19  .  ?        ?  
1022  14  1  A  21  SER  A  20  .  ?        ?  
1023  14  1  A  22  ASP  A  21  .  ?        ?  
1024  14  1  A  23  THR  A  22  .  ?        ?  
1025  14  1  A  24  ILE  A  23  .  ?        1  
1026  14  1  A  25  GLU  A  24  .  ?        ?  
1027  14  1  A  26  ASN  A  25  .  ?        ?  
1028  14  1  A  27  VAL  A  26  .  ?        ?  
1029  14  1  A  28  LYS  A  27  .  ?        ?  
1030  14  1  A  29  ALA  A  28  .  ?        ?  
1031  14  1  A  30  LYS  A  29  .  ?        ?  
1032  14  1  A  31  ILE  A  30  .  ?        ?  
1033  14  1  A  32  GLN  A  31  .  ?        ?  
1034  14  1  A  33  ASP  A  32  .  ?        ?  
1035  14  1  A  34  LYS  A  33  .  ?        ?  
1036  14  1  A  35  GLU  A  34  .  ?        ?  
1037  14  1  A  36  GLY  A  35  .  ?        ?  
1038  14  1  A  37  ILE  A  36  .  ?        ?  
1039  14  1  A  38  PRO  A  37  .  ?        ?  
1040  14  1  A  39  PRO  A  38  .  ?        ?  
1041  14  1  A  40  ASP  A  39  .  ?        ?  
1042  14  1  A  41  GLN  A  40  .  ?        ?  
1043  14  1  A  42  GLN  A  41  .  ?        ?  
1044  14  1  A  43  ARG  A  42  .  ?        ?  
1045  14  1  A  44  LEU  A  43  .  ?        1  
1046  14  1  A  45  ILE  A  44  .  ?        ?  
1047  14  1  A  46  PHE  A  45  .  ?        ?  
1048  14  1  A  47  ALA  A  46  .  ?        ?  
1049  14  1  A  48  GLY  A  47  .  ?        ?  
1050  14  1  A  49  LYS  A  48  .  ?        ?  
1051  14  1  A  50  GLN  A  49  .  ?        ?  
1052  14  1  A  51  LEU  A  50  .  ?        1  
1053  14  1  A  52  GLU  A  51  .  ?        ?  
1054  14  1  A  53  ASP  A  52  .  ?        1  
1055  14  1  A  54  GLY  A  53  .  ?        ?  
1056  14  1  A  55  ARG  A  54  .  ?        ?  
1057  14  1  A  56  THR  A  55  .  ?        ?  
1058  14  1  A  57  LEU  A  56  .  ?        ?  
1059  14  1  A  58  SER  A  57  .  ?        ?  
1060  14  1  A  59  ASP  A  58  .  ?        ?  
1061  14  1  A  60  TYR  A  59  .  ?        ?  
1062  14  1  A  61  ASN  A  60  .  ?        ?  
1063  14  1  A  62  ILE  A  61  .  ?        1  
1064  14  1  A  63  GLN  A  62  .  ?        ?  
1065  14  1  A  64  LYS  A  63  .  ?        1  
1066  14  1  A  65  GLU  A  64  .  ?        1  
1067  14  1  A  66  SER  A  65  .  ?        ?  
1068  14  1  A  67  THR  A  66  .  ?        ?  
1069  14  1  A  68  LEU  A  67  .  ?        1  
1070  14  1  A  69  HIS  A  68  .  ?        ?  
1071  14  1  A  70  LEU  A  69  .  ?        ?  
1072  14  1  A  71  VAL  A  70  .  ?        ?  
1073  14  1  A  72  LEU  A  71  .  ?        ?  
1074  14  1  A  73  ARG  A  72  .  ?        ?  
1075  14  1  A  74  LEU  A  73  .  ?        ?  
1076  14  1  A  75  ARG  A  74  .  ?        ?  
1077  14  1  A  76  GLY  A  75  .  ?        ?  
1078  14  1  A  77  GLY  A  76  .  ?        ?  
1079  15  1  A   1  GLY  A   0  .  ?        ?  
1080  15  1  A   2  MET  A   1  .  ?        ?  
1081  15  1  A   3  GLN  A   2  .  ?        ?  
1082  15  1  A   4  ILE  A   3  .  ?        ?  
1083  15  1  A   5  PHE  A   4  .  ?        ?  
1084  15  1  A   6  VAL  A   5  .  ?        ?  
1085  15  1  A   7  LYS  A   6  .  ?        ?  
1086  15  1  A   8  THR  A   7  .  ?        ?  
1087  15  1  A   9  LEU  A   8  .  ?        ?  
1088  15  1  A  10  THR  A   9  .  ?        ?  
1089  15  1  A  11  GLY  A  10  .  ?        ?  
1090  15  1  A  12  LYS  A  11  .  ?        ?  
1091  15  1  A  13  THR  A  12  .  ?        ?  
1092  15  1  A  14  ILE  A  13  .  ?        ?  
1093  15  1  A  15  THR  A  14  .  ?        ?  
1094  15  1  A  16  LEU  A  15  .  ?        ?  
1095  15  1  A  17  GLU  A  16  .  ?        ?  
1096  15  1  A  18  VAL  A  17  .  ?        ?  
1097  15  1  A  19  GLU  A  18  .  ?        ?  
1098  15  1  A  20  PRO  A  19  .  ?        ?  
1099  15  1  A  21  SER  A  20  .  ?        ?  
1100  15  1  A  22  ASP  A  21  .  ?        ?  
1101  15  1  A  23  THR  A  22  .  ?        ?  
1102  15  1  A  24  ILE  A  23  .  ?        ?  
1103  15  1  A  25  GLU  A  24  .  ?        ?  
1104  15  1  A  26  ASN  A  25  .  ?        ?  
1105  15  1  A  27  VAL  A  26  .  ?        ?  
1106  15  1  A  28  LYS  A  27  .  ?        ?  
1107  15  1  A  29  ALA  A  28  .  ?        ?  
1108  15  1  A  30  LYS  A  29  .  ?        ?  
1109  15  1  A  31  ILE  A  30  .  ?        ?  
1110  15  1  A  32  GLN  A  31  .  ?        ?  
1111  15  1  A  33  ASP  A  32  .  ?        ?  
1112  15  1  A  34  LYS  A  33  .  ?        ?  
1113  15  1  A  35  GLU  A  34  .  ?        ?  
1114  15  1  A  36  GLY  A  35  .  ?        ?  
1115  15  1  A  37  ILE  A  36  .  ?        ?  
1116  15  1  A  38  PRO  A  37  .  ?        ?  
1117  15  1  A  39  PRO  A  38  .  ?        ?  
1118  15  1  A  40  ASP  A  39  .  ?        ?  
1119  15  1  A  41  GLN  A  40  .  ?        ?  
1120  15  1  A  42  GLN  A  41  .  ?        ?  
1121  15  1  A  43  ARG  A  42  .  ?        ?  
1122  15  1  A  44  LEU  A  43  .  ?        ?  
1123  15  1  A  45  ILE  A  44  .  ?        ?  
1124  15  1  A  46  PHE  A  45  .  ?        ?  
1125  15  1  A  47  ALA  A  46  .  ?        ?  
1126  15  1  A  48  GLY  A  47  .  ?        ?  
1127  15  1  A  49  LYS  A  48  .  ?        ?  
1128  15  1  A  50  GLN  A  49  .  ?        ?  
1129  15  1  A  51  LEU  A  50  .  ?        ?  
1130  15  1  A  52  GLU  A  51  .  ?        ?  
1131  15  1  A  53  ASP  A  52  .  ?        ?  
1132  15  1  A  54  GLY  A  53  .  ?        ?  
1133  15  1  A  55  ARG  A  54  .  ?        ?  
1134  15  1  A  56  THR  A  55  .  ?        ?  
1135  15  1  A  57  LEU  A  56  .  ?        2  
1136  15  1  A  58  SER  A  57  .  ?        ?  
1137  15  1  A  59  ASP  A  58  .  ?        ?  
1138  15  1  A  60  TYR  A  59  .  ?        ?  
1139  15  1  A  61  ASN  A  60  .  ?        ?  
1140  15  1  A  62  ILE  A  61  .  ?        2  
1141  15  1  A  63  GLN  A  62  .  ?        ?  
1142  15  1  A  64  LYS  A  63  .  ?        1  
1143  15  1  A  65  GLU  A  64  .  ?        1  
1144  15  1  A  66  SER  A  65  .  ?        ?  
1145  15  1  A  67  THR  A  66  .  ?        ?  
1146  15  1  A  68  LEU  A  67  .  ?        ?  
1147  15  1  A  69  HIS  A  68  .  ?        ?  
1148  15  1  A  70  LEU  A  69  .  ?        ?  
1149  15  1  A  71  VAL  A  70  .  ?        ?  
1150  15  1  A  72  LEU  A  71  .  ?        ?  
1151  15  1  A  73  ARG  A  72  .  ?        ?  
1152  15  1  A  74  LEU  A  73  .  ?        ?  
1153  15  1  A  75  ARG  A  74  .  ?        ?  
1154  15  1  A  76  GLY  A  75  .  ?        ?  
1155  15  1  A  77  GLY  A  76  .  ?        ?  
1156  16  1  A   1  GLY  A   0  .  ?        ?  
1157  16  1  A   2  MET  A   1  .  ?        ?  
1158  16  1  A   3  GLN  A   2  .  ?        ?  
1159  16  1  A   4  ILE  A   3  .  ?        ?  
1160  16  1  A   5  PHE  A   4  .  ?        ?  
1161  16  1  A   6  VAL  A   5  .  ?        2  
1162  16  1  A   7  LYS  A   6  .  ?        ?  
1163  16  1  A   8  THR  A   7  .  ?        ?  
1164  16  1  A   9  LEU  A   8  .  ?        2  
1165  16  1  A  10  THR  A   9  .  ?        ?  
1166  16  1  A  11  GLY  A  10  .  ?        ?  
1167  16  1  A  12  LYS  A  11  .  ?        ?  
1168  16  1  A  13  THR  A  12  .  ?        ?  
1169  16  1  A  14  ILE  A  13  .  ?        ?  
1170  16  1  A  15  THR  A  14  .  ?        ?  
1171  16  1  A  16  LEU  A  15  .  ?        ?  
1172  16  1  A  17  GLU  A  16  .  ?        ?  
1173  16  1  A  18  VAL  A  17  .  ?        ?  
1174  16  1  A  19  GLU  A  18  .  ?        ?  
1175  16  1  A  20  PRO  A  19  .  ?        ?  
1176  16  1  A  21  SER  A  20  .  ?        ?  
1177  16  1  A  22  ASP  A  21  .  ?        ?  
1178  16  1  A  23  THR  A  22  .  ?        1  
1179  16  1  A  24  ILE  A  23  .  ?        1  
1180  16  1  A  25  GLU  A  24  .  ?        ?  
1181  16  1  A  26  ASN  A  25  .  ?        1  
1182  16  1  A  27  VAL  A  26  .  ?        ?  
1183  16  1  A  28  LYS  A  27  .  ?        ?  
1184  16  1  A  29  ALA  A  28  .  ?        ?  
1185  16  1  A  30  LYS  A  29  .  ?        ?  
1186  16  1  A  31  ILE  A  30  .  ?        ?  
1187  16  1  A  32  GLN  A  31  .  ?        ?  
1188  16  1  A  33  ASP  A  32  .  ?        ?  
1189  16  1  A  34  LYS  A  33  .  ?        ?  
1190  16  1  A  35  GLU  A  34  .  ?        ?  
1191  16  1  A  36  GLY  A  35  .  ?        ?  
1192  16  1  A  37  ILE  A  36  .  ?        ?  
1193  16  1  A  38  PRO  A  37  .  ?        ?  
1194  16  1  A  39  PRO  A  38  .  ?        ?  
1195  16  1  A  40  ASP  A  39  .  ?        ?  
1196  16  1  A  41  GLN  A  40  .  ?        ?  
1197  16  1  A  42  GLN  A  41  .  ?        ?  
1198  16  1  A  43  ARG  A  42  .  ?        ?  
1199  16  1  A  44  LEU  A  43  .  ?        1  
1200  16  1  A  45  ILE  A  44  .  ?        ?  
1201  16  1  A  46  PHE  A  45  .  ?        ?  
1202  16  1  A  47  ALA  A  46  .  ?        ?  
1203  16  1  A  48  GLY  A  47  .  ?        ?  
1204  16  1  A  49  LYS  A  48  .  ?        ?  
1205  16  1  A  50  GLN  A  49  .  ?        ?  
1206  16  1  A  51  LEU  A  50  .  ?        3  
1207  16  1  A  52  GLU  A  51  .  ?        ?  
1208  16  1  A  53  ASP  A  52  .  ?        ?  
1209  16  1  A  54  GLY  A  53  .  ?        ?  
1210  16  1  A  55  ARG  A  54  .  ?        ?  
1211  16  1  A  56  THR  A  55  .  ?        ?  
1212  16  1  A  57  LEU  A  56  .  ?        ?  
1213  16  1  A  58  SER  A  57  .  ?        ?  
1214  16  1  A  59  ASP  A  58  .  ?        ?  
1215  16  1  A  60  TYR  A  59  .  ?        ?  
1216  16  1  A  61  ASN  A  60  .  ?        ?  
1217  16  1  A  62  ILE  A  61  .  ?        ?  
1218  16  1  A  63  GLN  A  62  .  ?        ?  
1219  16  1  A  64  LYS  A  63  .  ?        ?  
1220  16  1  A  65  GLU  A  64  .  ?        ?  
1221  16  1  A  66  SER  A  65  .  ?        ?  
1222  16  1  A  67  THR  A  66  .  ?        ?  
1223  16  1  A  68  LEU  A  67  .  ?        ?  
1224  16  1  A  69  HIS  A  68  .  ?        ?  
1225  16  1  A  70  LEU  A  69  .  ?        3  
1226  16  1  A  71  VAL  A  70  .  ?        ?  
1227  16  1  A  72  LEU  A  71  .  ?        ?  
1228  16  1  A  73  ARG  A  72  .  ?        ?  
1229  16  1  A  74  LEU  A  73  .  ?        ?  
1230  16  1  A  75  ARG  A  74  .  ?        ?  
1231  16  1  A  76  GLY  A  75  .  ?        ?  
1232  16  1  A  77  GLY  A  76  .  ?        ?  
1233  17  1  A   1  GLY  A   0  .  ?        ?  
1234  17  1  A   2  MET  A   1  .  ?        ?  
1235  17  1  A   3  GLN  A   2  .  ?        ?  
1236  17  1  A   4  ILE  A   3  .  ?        ?  
1237  17  1  A   5  PHE  A   4  .  ?        ?  
1238  17  1  A   6  VAL  A   5  .  ?        2  
1239  17  1  A   7  LYS  A   6  .  ?        ?  
1240  17  1  A   8  THR  A   7  .  ?        ?  
1241  17  1  A   9  LEU  A   8  .  ?        ?  
1242  17  1  A  10  THR  A   9  .  ?        ?  
1243  17  1  A  11  GLY  A  10  .  ?        ?  
1244  17  1  A  12  LYS  A  11  .  ?        ?  
1245  17  1  A  13  THR  A  12  .  ?        ?  
1246  17  1  A  14  ILE  A  13  .  ?        ?  
1247  17  1  A  15  THR  A  14  .  ?        ?  
1248  17  1  A  16  LEU  A  15  .  ?        ?  
1249  17  1  A  17  GLU  A  16  .  ?        ?  
1250  17  1  A  18  VAL  A  17  .  ?        ?  
1251  17  1  A  19  GLU  A  18  .  ?        1  
1252  17  1  A  20  PRO  A  19  .  ?        ?  
1253  17  1  A  21  SER  A  20  .  ?        ?  
1254  17  1  A  22  ASP  A  21  .  ?        ?  
1255  17  1  A  23  THR  A  22  .  ?        ?  
1256  17  1  A  24  ILE  A  23  .  ?        ?  
1257  17  1  A  25  GLU  A  24  .  ?        ?  
1258  17  1  A  26  ASN  A  25  .  ?        ?  
1259  17  1  A  27  VAL  A  26  .  ?        ?  
1260  17  1  A  28  LYS  A  27  .  ?        ?  
1261  17  1  A  29  ALA  A  28  .  ?        ?  
1262  17  1  A  30  LYS  A  29  .  ?        ?  
1263  17  1  A  31  ILE  A  30  .  ?        ?  
1264  17  1  A  32  GLN  A  31  .  ?        ?  
1265  17  1  A  33  ASP  A  32  .  ?        ?  
1266  17  1  A  34  LYS  A  33  .  ?        ?  
1267  17  1  A  35  GLU  A  34  .  ?        ?  
1268  17  1  A  36  GLY  A  35  .  ?        ?  
1269  17  1  A  37  ILE  A  36  .  ?        ?  
1270  17  1  A  38  PRO  A  37  .  ?        ?  
1271  17  1  A  39  PRO  A  38  .  ?        ?  
1272  17  1  A  40  ASP  A  39  .  ?        ?  
1273  17  1  A  41  GLN  A  40  .  ?        ?  
1274  17  1  A  42  GLN  A  41  .  ?        ?  
1275  17  1  A  43  ARG  A  42  .  ?        ?  
1276  17  1  A  44  LEU  A  43  .  ?        ?  
1277  17  1  A  45  ILE  A  44  .  ?        1  
1278  17  1  A  46  PHE  A  45  .  ?        1  
1279  17  1  A  47  ALA  A  46  .  ?        ?  
1280  17  1  A  48  GLY  A  47  .  ?        ?  
1281  17  1  A  49  LYS  A  48  .  ?        ?  
1282  17  1  A  50  GLN  A  49  .  ?        ?  
1283  17  1  A  51  LEU  A  50  .  ?        1  
1284  17  1  A  52  GLU  A  51  .  ?        ?  
1285  17  1  A  53  ASP  A  52  .  ?        ?  
1286  17  1  A  54  GLY  A  53  .  ?        ?  
1287  17  1  A  55  ARG  A  54  .  ?        ?  
1288  17  1  A  56  THR  A  55  .  ?        ?  
1289  17  1  A  57  LEU  A  56  .  ?        1  
1290  17  1  A  58  SER  A  57  .  ?        ?  
1291  17  1  A  59  ASP  A  58  .  ?        ?  
1292  17  1  A  60  TYR  A  59  .  ?        1  
1293  17  1  A  61  ASN  A  60  .  ?        ?  
1294  17  1  A  62  ILE  A  61  .  ?        ?  
1295  17  1  A  63  GLN  A  62  .  ?        ?  
1296  17  1  A  64  LYS  A  63  .  ?        ?  
1297  17  1  A  65  GLU  A  64  .  ?        ?  
1298  17  1  A  66  SER  A  65  .  ?        ?  
1299  17  1  A  67  THR  A  66  .  ?        ?  
1300  17  1  A  68  LEU  A  67  .  ?        2  
1301  17  1  A  69  HIS  A  68  .  ?        ?  
1302  17  1  A  70  LEU  A  69  .  ?        ?  
1303  17  1  A  71  VAL  A  70  .  ?        ?  
1304  17  1  A  72  LEU  A  71  .  ?        1  
1305  17  1  A  73  ARG  A  72  .  ?        1  
1306  17  1  A  74  LEU  A  73  .  ?        ?  
1307  17  1  A  75  ARG  A  74  .  ?        ?  
1308  17  1  A  76  GLY  A  75  .  ?        ?  
1309  17  1  A  77  GLY  A  76  .  ?        ?  
1310  18  1  A   1  GLY  A   0  .  ?        ?  
1311  18  1  A   2  MET  A   1  .  ?        ?  
1312  18  1  A   3  GLN  A   2  .  ?        ?  
1313  18  1  A   4  ILE  A   3  .  ?        ?  
1314  18  1  A   5  PHE  A   4  .  ?        ?  
1315  18  1  A   6  VAL  A   5  .  ?        2  
1316  18  1  A   7  LYS  A   6  .  ?        ?  
1317  18  1  A   8  THR  A   7  .  ?        ?  
1318  18  1  A   9  LEU  A   8  .  ?        ?  
1319  18  1  A  10  THR  A   9  .  ?        ?  
1320  18  1  A  11  GLY  A  10  .  ?        ?  
1321  18  1  A  12  LYS  A  11  .  ?        ?  
1322  18  1  A  13  THR  A  12  .  ?        ?  
1323  18  1  A  14  ILE  A  13  .  ?        ?  
1324  18  1  A  15  THR  A  14  .  ?        ?  
1325  18  1  A  16  LEU  A  15  .  ?        ?  
1326  18  1  A  17  GLU  A  16  .  ?        ?  
1327  18  1  A  18  VAL  A  17  .  ?        ?  
1328  18  1  A  19  GLU  A  18  .  ?        ?  
1329  18  1  A  20  PRO  A  19  .  ?        ?  
1330  18  1  A  21  SER  A  20  .  ?        ?  
1331  18  1  A  22  ASP  A  21  .  ?        ?  
1332  18  1  A  23  THR  A  22  .  ?        1  
1333  18  1  A  24  ILE  A  23  .  ?        ?  
1334  18  1  A  25  GLU  A  24  .  ?        ?  
1335  18  1  A  26  ASN  A  25  .  ?        ?  
1336  18  1  A  27  VAL  A  26  .  ?        1  
1337  18  1  A  28  LYS  A  27  .  ?        ?  
1338  18  1  A  29  ALA  A  28  .  ?        ?  
1339  18  1  A  30  LYS  A  29  .  ?        ?  
1340  18  1  A  31  ILE  A  30  .  ?        ?  
1341  18  1  A  32  GLN  A  31  .  ?        ?  
1342  18  1  A  33  ASP  A  32  .  ?        ?  
1343  18  1  A  34  LYS  A  33  .  ?        ?  
1344  18  1  A  35  GLU  A  34  .  ?        ?  
1345  18  1  A  36  GLY  A  35  .  ?        ?  
1346  18  1  A  37  ILE  A  36  .  ?        ?  
1347  18  1  A  38  PRO  A  37  .  ?        ?  
1348  18  1  A  39  PRO  A  38  .  ?        ?  
1349  18  1  A  40  ASP  A  39  .  ?        ?  
1350  18  1  A  41  GLN  A  40  .  ?        ?  
1351  18  1  A  42  GLN  A  41  .  ?        ?  
1352  18  1  A  43  ARG  A  42  .  ?        ?  
1353  18  1  A  44  LEU  A  43  .  ?        ?  
1354  18  1  A  45  ILE  A  44  .  ?        ?  
1355  18  1  A  46  PHE  A  45  .  ?        ?  
1356  18  1  A  47  ALA  A  46  .  ?        ?  
1357  18  1  A  48  GLY  A  47  .  ?        ?  
1358  18  1  A  49  LYS  A  48  .  ?        ?  
1359  18  1  A  50  GLN  A  49  .  ?        ?  
1360  18  1  A  51  LEU  A  50  .  ?        ?  
1361  18  1  A  52  GLU  A  51  .  ?        ?  
1362  18  1  A  53  ASP  A  52  .  ?        ?  
1363  18  1  A  54  GLY  A  53  .  ?        ?  
1364  18  1  A  55  ARG  A  54  .  ?        ?  
1365  18  1  A  56  THR  A  55  .  ?        ?  
1366  18  1  A  57  LEU  A  56  .  ?        ?  
1367  18  1  A  58  SER  A  57  .  ?        ?  
1368  18  1  A  59  ASP  A  58  .  ?        ?  
1369  18  1  A  60  TYR  A  59  .  ?        1  
1370  18  1  A  61  ASN  A  60  .  ?        ?  
1371  18  1  A  62  ILE  A  61  .  ?        1  
1372  18  1  A  63  GLN  A  62  .  ?        ?  
1373  18  1  A  64  LYS  A  63  .  ?        1  
1374  18  1  A  65  GLU  A  64  .  ?        1  
1375  18  1  A  66  SER  A  65  .  ?        ?  
1376  18  1  A  67  THR  A  66  .  ?        ?  
1377  18  1  A  68  LEU  A  67  .  ?        1  
1378  18  1  A  69  HIS  A  68  .  ?        ?  
1379  18  1  A  70  LEU  A  69  .  ?        1  
1380  18  1  A  71  VAL  A  70  .  ?        ?  
1381  18  1  A  72  LEU  A  71  .  ?        ?  
1382  18  1  A  73  ARG  A  72  .  ?        ?  
1383  18  1  A  74  LEU  A  73  .  ?        ?  
1384  18  1  A  75  ARG  A  74  .  ?        ?  
1385  18  1  A  76  GLY  A  75  .  ?        ?  
1386  18  1  A  77  GLY  A  76  .  ?        ?  
1387  19  1  A   1  GLY  A   0  .  ?        ?  
1388  19  1  A   2  MET  A   1  .  ?        ?  
1389  19  1  A   3  GLN  A   2  .  ?        ?  
1390  19  1  A   4  ILE  A   3  .  ?        ?  
1391  19  1  A   5  PHE  A   4  .  ?        ?  
1392  19  1  A   6  VAL  A   5  .  ?        ?  
1393  19  1  A   7  LYS  A   6  .  ?        ?  
1394  19  1  A   8  THR  A   7  .  ?        ?  
1395  19  1  A   9  LEU  A   8  .  ?        ?  
1396  19  1  A  10  THR  A   9  .  ?        ?  
1397  19  1  A  11  GLY  A  10  .  ?        ?  
1398  19  1  A  12  LYS  A  11  .  ?        ?  
1399  19  1  A  13  THR  A  12  .  ?        ?  
1400  19  1  A  14  ILE  A  13  .  ?        ?  
1401  19  1  A  15  THR  A  14  .  ?        ?  
1402  19  1  A  16  LEU  A  15  .  ?        ?  
1403  19  1  A  17  GLU  A  16  .  ?        ?  
1404  19  1  A  18  VAL  A  17  .  ?        ?  
1405  19  1  A  19  GLU  A  18  .  ?        ?  
1406  19  1  A  20  PRO  A  19  .  ?        ?  
1407  19  1  A  21  SER  A  20  .  ?        ?  
1408  19  1  A  22  ASP  A  21  .  ?        ?  
1409  19  1  A  23  THR  A  22  .  ?        2  
1410  19  1  A  24  ILE  A  23  .  ?        ?  
1411  19  1  A  25  GLU  A  24  .  ?        ?  
1412  19  1  A  26  ASN  A  25  .  ?        ?  
1413  19  1  A  27  VAL  A  26  .  ?        2  
1414  19  1  A  28  LYS  A  27  .  ?        ?  
1415  19  1  A  29  ALA  A  28  .  ?        ?  
1416  19  1  A  30  LYS  A  29  .  ?        ?  
1417  19  1  A  31  ILE  A  30  .  ?        1  
1418  19  1  A  32  GLN  A  31  .  ?        ?  
1419  19  1  A  33  ASP  A  32  .  ?        ?  
1420  19  1  A  34  LYS  A  33  .  ?        ?  
1421  19  1  A  35  GLU  A  34  .  ?        ?  
1422  19  1  A  36  GLY  A  35  .  ?        ?  
1423  19  1  A  37  ILE  A  36  .  ?        ?  
1424  19  1  A  38  PRO  A  37  .  ?        ?  
1425  19  1  A  39  PRO  A  38  .  ?        ?  
1426  19  1  A  40  ASP  A  39  .  ?        ?  
1427  19  1  A  41  GLN  A  40  .  ?        ?  
1428  19  1  A  42  GLN  A  41  .  ?        ?  
1429  19  1  A  43  ARG  A  42  .  ?        ?  
1430  19  1  A  44  LEU  A  43  .  ?        1  
1431  19  1  A  45  ILE  A  44  .  ?        1  
1432  19  1  A  46  PHE  A  45  .  ?        ?  
1433  19  1  A  47  ALA  A  46  .  ?        ?  
1434  19  1  A  48  GLY  A  47  .  ?        ?  
1435  19  1  A  49  LYS  A  48  .  ?        ?  
1436  19  1  A  50  GLN  A  49  .  ?        ?  
1437  19  1  A  51  LEU  A  50  .  ?        ?  
1438  19  1  A  52  GLU  A  51  .  ?        ?  
1439  19  1  A  53  ASP  A  52  .  ?        ?  
1440  19  1  A  54  GLY  A  53  .  ?        ?  
1441  19  1  A  55  ARG  A  54  .  ?        ?  
1442  19  1  A  56  THR  A  55  .  ?        1  
1443  19  1  A  57  LEU  A  56  .  ?        ?  
1444  19  1  A  58  SER  A  57  .  ?        ?  
1445  19  1  A  59  ASP  A  58  .  ?        ?  
1446  19  1  A  60  TYR  A  59  .  ?        2  
1447  19  1  A  61  ASN  A  60  .  ?        ?  
1448  19  1  A  62  ILE  A  61  .  ?        2  
1449  19  1  A  63  GLN  A  62  .  ?        ?  
1450  19  1  A  64  LYS  A  63  .  ?        ?  
1451  19  1  A  65  GLU  A  64  .  ?        ?  
1452  19  1  A  66  SER  A  65  .  ?        ?  
1453  19  1  A  67  THR  A  66  .  ?        ?  
1454  19  1  A  68  LEU  A  67  .  ?        ?  
1455  19  1  A  69  HIS  A  68  .  ?        ?  
1456  19  1  A  70  LEU  A  69  .  ?        ?  
1457  19  1  A  71  VAL  A  70  .  ?        ?  
1458  19  1  A  72  LEU  A  71  .  ?        ?  
1459  19  1  A  73  ARG  A  72  .  ?        ?  
1460  19  1  A  74  LEU  A  73  .  ?        ?  
1461  19  1  A  75  ARG  A  74  .  ?        ?  
1462  19  1  A  76  GLY  A  75  .  ?        ?  
1463  19  1  A  77  GLY  A  76  .  ?        ?  
1464  20  1  A   1  GLY  A   0  .  ?        ?  
1465  20  1  A   2  MET  A   1  .  ?        ?  
1466  20  1  A   3  GLN  A   2  .  ?        ?  
1467  20  1  A   4  ILE  A   3  .  ?        ?  
1468  20  1  A   5  PHE  A   4  .  ?        ?  
1469  20  1  A   6  VAL  A   5  .  ?        ?  
1470  20  1  A   7  LYS  A   6  .  ?        ?  
1471  20  1  A   8  THR  A   7  .  ?        ?  
1472  20  1  A   9  LEU  A   8  .  ?        2  
1473  20  1  A  10  THR  A   9  .  ?        ?  
1474  20  1  A  11  GLY  A  10  .  ?        ?  
1475  20  1  A  12  LYS  A  11  .  ?        ?  
1476  20  1  A  13  THR  A  12  .  ?        ?  
1477  20  1  A  14  ILE  A  13  .  ?        ?  
1478  20  1  A  15  THR  A  14  .  ?        ?  
1479  20  1  A  16  LEU  A  15  .  ?        ?  
1480  20  1  A  17  GLU  A  16  .  ?        ?  
1481  20  1  A  18  VAL  A  17  .  ?        ?  
1482  20  1  A  19  GLU  A  18  .  ?        ?  
1483  20  1  A  20  PRO  A  19  .  ?        ?  
1484  20  1  A  21  SER  A  20  .  ?        ?  
1485  20  1  A  22  ASP  A  21  .  ?        ?  
1486  20  1  A  23  THR  A  22  .  ?        ?  
1487  20  1  A  24  ILE  A  23  .  ?        ?  
1488  20  1  A  25  GLU  A  24  .  ?        ?  
1489  20  1  A  26  ASN  A  25  .  ?        ?  
1490  20  1  A  27  VAL  A  26  .  ?        ?  
1491  20  1  A  28  LYS  A  27  .  ?        ?  
1492  20  1  A  29  ALA  A  28  .  ?        ?  
1493  20  1  A  30  LYS  A  29  .  ?        ?  
1494  20  1  A  31  ILE  A  30  .  ?        ?  
1495  20  1  A  32  GLN  A  31  .  ?        ?  
1496  20  1  A  33  ASP  A  32  .  ?        ?  
1497  20  1  A  34  LYS  A  33  .  ?        ?  
1498  20  1  A  35  GLU  A  34  .  ?        ?  
1499  20  1  A  36  GLY  A  35  .  ?        ?  
1500  20  1  A  37  ILE  A  36  .  ?        ?  
1501  20  1  A  38  PRO  A  37  .  ?        ?  
1502  20  1  A  39  PRO  A  38  .  ?        ?  
1503  20  1  A  40  ASP  A  39  .  ?        ?  
1504  20  1  A  41  GLN  A  40  .  ?        ?  
1505  20  1  A  42  GLN  A  41  .  ?        ?  
1506  20  1  A  43  ARG  A  42  .  ?        ?  
1507  20  1  A  44  LEU  A  43  .  ?        ?  
1508  20  1  A  45  ILE  A  44  .  ?        2  
1509  20  1  A  46  PHE  A  45  .  ?        ?  
1510  20  1  A  47  ALA  A  46  .  ?        ?  
1511  20  1  A  48  GLY  A  47  .  ?        ?  
1512  20  1  A  49  LYS  A  48  .  ?        ?  
1513  20  1  A  50  GLN  A  49  .  ?        ?  
1514  20  1  A  51  LEU  A  50  .  ?        4  
1515  20  1  A  52  GLU  A  51  .  ?        1  
1516  20  1  A  53  ASP  A  52  .  ?        ?  
1517  20  1  A  54  GLY  A  53  .  ?        ?  
1518  20  1  A  55  ARG  A  54  .  ?        ?  
1519  20  1  A  56  THR  A  55  .  ?        ?  
1520  20  1  A  57  LEU  A  56  .  ?        ?  
1521  20  1  A  58  SER  A  57  .  ?        ?  
1522  20  1  A  59  ASP  A  58  .  ?        ?  
1523  20  1  A  60  TYR  A  59  .  ?        1  
1524  20  1  A  61  ASN  A  60  .  ?        ?  
1525  20  1  A  62  ILE  A  61  .  ?        ?  
1526  20  1  A  63  GLN  A  62  .  ?        ?  
1527  20  1  A  64  LYS  A  63  .  ?        1  
1528  20  1  A  65  GLU  A  64  .  ?        1  
1529  20  1  A  66  SER  A  65  .  ?        ?  
1530  20  1  A  67  THR  A  66  .  ?        ?  
1531  20  1  A  68  LEU  A  67  .  ?        ?  
1532  20  1  A  69  HIS  A  68  .  ?        ?  
1533  20  1  A  70  LEU  A  69  .  ?        ?  
1534  20  1  A  71  VAL  A  70  .  ?        ?  
1535  20  1  A  72  LEU  A  71  .  ?        ?  
1536  20  1  A  73  ARG  A  72  .  ?        ?  
1537  20  1  A  74  LEU  A  73  .  ?        ?  
1538  20  1  A  75  ARG  A  74  .  ?        ?  
1539  20  1  A  76  GLY  A  75  .  ?        ?  
1540  20  1  A  77  GLY  A  76  .  ?        ?  
#
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  ?             ?       ?  ?         5   4  0.23   5  0.21  molprobity     ?  False  
   2     2  OUTLIER  -150.8    58.4  Allowed   9   8  0.22  10  0.25  molprobity     1  True   
   3     3  mt-30     -82.8   147.6  Favored   8   9  0.22  12  0.26  molprobity     1  True   
   4     4  mp       -126.0   158.4  Favored  11   8  0.16  11  0.47  molprobity     1  True   
   5     5  OUTLIER  -127.4   137.2  Favored   9  12  0.35  16  0.22  molprobity     1  True   
   6     6  m        -122.1   130.5  Favored   9   7  0.15  10  0.45  molprobity     1  True   
   7     7  mtpt     -106.6   140.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
   8     8  OUTLIER  -104.6  -169.3  Allowed   7   7  0.23  10  0.55  molprobity     1  True   
   9     9  OUTLIER   -93.0   -15.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
  10    10  p         -90.7    11.9  Favored   7   7  0.20  10  0.59  molprobity     1  True   
  11    11  ?          74.8    19.5  Favored   3   4  0.23   5  0.21  molprobity     1  True   
  12    12  OUTLIER   -99.9   139.2  Favored  13   9  0.23  11  0.21  molprobity     1  True   
  13    13  p        -120.1   130.1  Favored   7   7  0.23  10  0.56  molprobity     1  True   
  14    14  mt       -123.0   150.4  Favored  11   8  0.17  11  0.48  molprobity     1  True   
  15    15  t        -114.9   138.7  Favored   7   7  0.23  10  0.55  molprobity     1  True   
  16    16  OUTLIER  -139.0   164.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
  17    17  tt0      -126.4   136.1  Favored   6   9  0.17  12  0.26  molprobity     1  True   
  18    18  OUTLIER  -154.9  -175.2  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
  19    19  mp0      -119.7   160.8  Favored   6   9  0.17  13  0.55  molprobity     1  True   
  20    20  Cg_endo   -69.8   -28.9  Favored   7   8  0.14  11  0.27  molprobity     1  True   
  21    21  t         -84.6     3.5  Favored   5   6  0.21   8  0.24  molprobity     1  True   
  22    22  t70       -79.5   139.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
  23    23  p        -104.7   147.9  Favored   7   7  0.23  10  0.56  molprobity     1  True   
  24    24  tp        -57.3   -24.7  Favored  11   8  0.17  11  0.47  molprobity     1  True   
  25    25  tt0       -77.8   -38.2  Favored   6   9  0.20  12  0.26  molprobity     1  True   
  26    26  t30       -77.3   -45.5  Favored   6   8  0.21  11  0.30  molprobity     1  True   
  27    27  p         -56.0   -26.3  Favored   9   7  0.15  10  0.46  molprobity     1  True   
  28    28  OUTLIER   -64.3   -36.6  Favored  13   9  0.21  11  0.21  molprobity     1  True   
  29    29  ?         -59.9   -40.0  Favored   5   5  0.15   7  0.24  molprobity     1  True   
  30    30  OUTLIER   -63.7   -38.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
  31    31  mm        -69.6   -41.2  Favored  11   8  0.16  11  0.47  molprobity     1  True   
  32    32  tt0       -68.1   -34.2  Favored   8   9  0.22  12  0.26  molprobity     1  True   
  33    33  m-20      -75.3    -9.4  Favored   4   8  0.16  11  0.25  molprobity     1  True   
  34    34  tttp     -106.9   -42.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
  35    35  mm-40    -122.0   -33.9  Favored   6   9  0.18  12  0.31  molprobity     1  True   
  36    36  ?          80.3    20.7  Favored   3   4  0.25   5  0.22  molprobity     1  True   
  37    37  mt        -84.4   110.7  Favored  11   8  0.14  12  0.68  molprobity     1  True   
  38    38  Cg_endo   -69.8   125.7  Favored   7   8  0.11  12  0.56  molprobity     1  True   
  39    39  Cg_endo   -69.7    42.5  Allowed   7   8  0.15  11  0.27  molprobity     1  True   
  40    40  m-20      -88.5   -33.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
  41    41  mt-30    -110.5     1.8  Favored   8   9  0.20  12  0.27  molprobity     1  True   
  42    42  mt-30    -104.2   131.0  Favored   8   9  0.22  12  0.26  molprobity     1  True   
  43    43  OUTLIER  -122.8   114.5  Favored  13  11  0.16  14  0.25  molprobity     1  True   
  44    44  mt        -88.6   128.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
  45    45  pt       -128.9   141.2  Favored  11   8  0.17  11  0.48  molprobity     1  True   
  46    46  t80      -154.7   133.7  Favored   9  12  0.34  16  0.22  molprobity     1  True   
  47    47  ?          60.0    26.1  Favored   5   5  0.12   7  0.33  molprobity     1  True   
  48    48  ?          78.3     0.6  Favored   3   4  0.24   5  0.23  molprobity     1  True   
  49    49  mmtt     -110.5   132.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
  50    50  mt-30     -76.5   125.3  Favored   8   9  0.22  12  0.26  molprobity     1  True   
  51    51  mp        -60.1   114.0  Favored  11   8  0.17  11  0.25  molprobity     1  True   
  52    52  pm0       -90.9   146.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
  53    53  t70       -58.0   -21.6  Favored   4   8  0.12  11  0.30  molprobity     1  True   
  54    54  ?         -91.1    11.7  Favored   3   4  0.22   5  0.23  molprobity     1  True   
  55    55  OUTLIER  -101.2   145.2  Favored  13  11  0.15  14  0.25  molprobity     1  True   
  56    56  OUTLIER  -112.7   160.1  Favored   7   7  0.24  10  0.56  molprobity     1  True   
  57    57  OUTLIER   -56.5   -55.3  Favored  11   8  0.19  11  0.25  molprobity     1  True   
  58    58  t         -70.4   -30.6  Favored   5   6  0.21   8  0.23  molprobity     1  True   
  59    59  t70       -63.8   -26.1  Favored   4   8  0.15  11  0.25  molprobity     1  True   
  60    60  OUTLIER   -86.9    -3.7  Favored   9  13  0.24  18  0.23  molprobity     1  True   
  61    61  OUTLIER    58.1    35.4  Favored   6   8  0.22  11  0.30  molprobity     1  True   
  62    62  mm        -75.7   106.0  Favored  11   8  0.16  11  0.47  molprobity     1  True   
  63    63  mt-30     -74.1   179.0  Favored   8   9  0.23  12  0.26  molprobity     1  True   
  64    64  OUTLIER   -75.7   143.2  Favored  13   9  0.21  11  0.21  molprobity     1  True   
  65    65  OUTLIER    77.3    26.2  Allowed   6   9  0.21  12  0.26  molprobity     1  True   
  66    66  OUTLIER   -78.8   148.7  Favored   5   6  0.18   8  0.23  molprobity     1  True   
  67    67  OUTLIER  -117.9   120.4  Favored   7   7  0.23  10  0.56  molprobity     1  True   
  68    68  OUTLIER  -111.6   146.5  Favored  11   8  0.19  11  0.25  molprobity     1  True   
  69    69  m-70      -86.3   143.8  Favored   7  11  0.16  15  0.19  molprobity     1  True   
  70    70  mt       -122.5   118.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
  71    71  t         -88.0   155.9  Favored   9   7  0.16  10  0.45  molprobity     1  True   
  72    72  tp       -116.0   152.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
  73    73  OUTLIER  -104.0   119.0  Favored  13  11  0.16  14  0.26  molprobity     1  True   
  74    74  OUTLIER   -90.0   145.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
  75    75  mtp180   -114.2   111.6  Favored  13  11  0.13  14  0.30  molprobity     1  True   
  76    76  ?         110.1   111.9  Favored   3   4  0.20   5  0.35  molprobity     1  True   
  77    77  ?             ?       ?  ?         3   3  0.22   2  0.59  molprobity     1  True   
  78    78  ?             ?       ?  ?         5   4  0.26   5  0.22  molprobity     ?  False  
  79    79  tpp       -88.6     8.2  Favored   9   8  0.22  10  0.26  molprobity     1  True   
  80    80  OUTLIER   -71.7   144.3  Favored   8   9  0.22  12  0.26  molprobity     1  True   
  81    81  pt       -113.3   169.0  Favored  11   8  0.17  11  0.47  molprobity     1  True   
  82    82  OUTLIER  -128.2   135.1  Favored   9  12  0.34  16  0.23  molprobity     1  True   
  83    83  t        -116.7   128.6  Favored   9   7  0.15  10  0.46  molprobity     1  True   
  84    84  tttm     -103.9   138.9  Favored  13   9  0.21  11  0.21  molprobity     1  True   
  85    85  p        -108.7   175.1  Favored   7   7  0.23  10  0.56  molprobity     1  True   
  86    86  tp        -79.2    -3.1  Favored  11   8  0.18  11  0.25  molprobity     1  True   
  87    87  OUTLIER  -103.3    20.5  Favored   7   7  0.19  10  0.58  molprobity     1  True   
  88    88  ?          63.9    15.5  Favored   3   4  0.25   5  0.22  molprobity     1  True   
  89    89  OUTLIER   -96.1   134.9  Favored  13   9  0.22  11  0.20  molprobity     1  True   
  90    90  OUTLIER  -113.8   127.0  Favored   7   7  0.22  10  0.56  molprobity     1  True   
  91    91  mm       -117.7   148.0  Favored  11   8  0.17  11  0.47  molprobity     1  True   
  92    92  m        -110.9   134.9  Favored   7   7  0.23  10  0.56  molprobity     1  True   
  93    93  mt       -143.6   171.2  Favored  11   8  0.18  11  0.24  molprobity     1  True   
  94    94  pm0      -128.9   138.0  Favored   6   9  0.19  12  0.26  molprobity     1  True   
  95    95  OUTLIER  -147.3   174.6  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
  96    96  mt-10    -125.8   164.1  Favored   6   9  0.18  13  0.54  molprobity     1  True   
  97    97  Cg_endo   -69.7   -30.1  Favored   7   8  0.14  11  0.27  molprobity     1  True   
  98    98  OUTLIER   -84.1    -1.0  Favored   5   6  0.20   8  0.24  molprobity     1  True   
  99    99  m-20      -84.8   144.1  Favored   4   8  0.16  11  0.23  molprobity     1  True   
 100   100  p        -104.0   156.2  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 101   101  mm        -54.3   -36.7  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 102   102  tt0       -59.2   -39.8  Favored   6   9  0.19  12  0.27  molprobity     1  True   
 103   103  OUTLIER   -66.7   -47.7  Favored   6   8  0.21  11  0.29  molprobity     1  True   
 104   104  t         -56.0   -51.8  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 105   105  tmtt?     -52.7   -41.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 106   106  ?         -58.7   -36.6  Favored   5   5  0.16   7  0.25  molprobity     1  True   
 107   107  OUTLIER   -63.3   -40.0  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 108   108  mp        -66.3   -39.2  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 109   109  tt0       -66.6   -34.6  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 110   110  t70       -74.4    -9.7  Favored   4   8  0.16  11  0.25  molprobity     1  True   
 111   111  tttp     -105.9   -44.6  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 112   112  mp0      -122.0   -33.7  Favored   6   9  0.17  12  0.31  molprobity     1  True   
 113   113  ?          89.4    23.4  Favored   3   4  0.21   5  0.21  molprobity     1  True   
 114   114  mt        -61.4   133.3  Favored  11   8  0.14  12  0.68  molprobity     1  True   
 115   115  Cg_endo   -69.7   125.8  Favored   7   8  0.10  12  0.56  molprobity     1  True   
 116   116  Cg_endo   -69.7   -21.3  Favored   7   8  0.13  11  0.27  molprobity     1  True   
 117   117  OUTLIER   -75.5   -20.0  Favored   4   8  0.14  11  0.25  molprobity     1  True   
 118   118  mp0      -109.9    -6.3  Favored   8   9  0.20  12  0.26  molprobity     1  True   
 119   119  OUTLIER  -104.3   127.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 120   120  mtm180   -129.1   129.0  Favored  13  11  0.16  14  0.27  molprobity     1  True   
 121   121  OUTLIER   -99.8   135.7  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 122   122  mt       -138.3   136.2  Favored  11   8  0.18  11  0.47  molprobity     1  True   
 123   123  t80      -161.3   143.2  Favored   9  12  0.33  16  0.23  molprobity     1  True   
 124   124  ?          64.6    18.6  Favored   5   5  0.11   7  0.33  molprobity     1  True   
 125   125  ?          80.0    -2.5  Favored   3   4  0.25   5  0.21  molprobity     1  True   
 126   126  mmtt     -111.5   134.4  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 127   127  pt20      -74.2   122.2  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 128   128  mt        -60.6   116.2  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 129   129  tt0       -87.7   139.0  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 130   130  p-10      -61.7   -23.8  Favored   4   8  0.13  11  0.29  molprobity     1  True   
 131   131  ?         -84.2     5.8  Favored   3   4  0.25   5  0.22  molprobity     1  True   
 132   132  tpp180   -102.1   158.5  Favored  13  11  0.15  14  0.25  molprobity     1  True   
 133   133  p        -117.1   161.5  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 134   134  mm?       -54.8   -55.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 135   135  OUTLIER   -56.2   -37.3  Favored   5   6  0.21   8  0.23  molprobity     1  True   
 136   136  t70       -64.8   -31.1  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 137   137  OUTLIER   -79.3    -5.3  Favored   9  13  0.24  18  0.23  molprobity     1  True   
 138   138  OUTLIER    53.1    34.7  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 139   139  tt        -75.0   104.7  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 140   140  OUTLIER   -75.5  -179.9  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 141   141  OUTLIER   -76.9   143.9  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 142   142  tt0        76.6    24.1  Allowed   6   9  0.19  12  0.27  molprobity     1  True   
 143   143  p         -83.4   150.6  Favored   5   6  0.17   8  0.24  molprobity     1  True   
 144   144  t        -119.3   122.8  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 145   145  OUTLIER  -113.1   148.7  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 146   146  t60       -93.9   140.9  Favored   7  11  0.14  15  0.20  molprobity     1  True   
 147   147  tp       -125.1    97.6  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 148   148  p         -90.1   156.1  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 149   149  tp       -110.9   141.7  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 150   150  OUTLIER   -96.9   119.1  Favored  13  11  0.16  14  0.25  molprobity     1  True   
 151   151  OUTLIER   -75.8   144.0  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 152   152  OUTLIER  -117.7   111.3  Favored  13  11  0.14  14  0.29  molprobity     1  True   
 153   153  ?         101.7   119.9  Favored   3   4  0.22   5  0.36  molprobity     1  True   
 154   154  ?             ?       ?  ?         3   3  0.19   2  0.61  molprobity     1  True   
 155   155  ?             ?       ?  ?         5   4  0.24   5  0.22  molprobity     ?  False  
 156   156  mtm      -111.3    97.4  Favored   9   8  0.21  10  0.26  molprobity     1  True   
 157   157  mt-30     -83.2   149.7  Favored   8   9  0.21  12  0.25  molprobity     1  True   
 158   158  pt       -122.8   167.9  Favored  11   8  0.17  11  0.48  molprobity     1  True   
 159   159  OUTLIER  -130.0   139.6  Favored   9  12  0.34  16  0.23  molprobity     1  True   
 160   160  p        -122.8   127.2  Favored   9   7  0.14  10  0.45  molprobity     1  True   
 161   161  ptmt     -101.4   141.2  Favored  13   9  0.21  11  0.22  molprobity     1  True   
 162   162  OUTLIER  -101.9   176.1  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 163   163  mt        -88.8    10.9  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 164   164  OUTLIER  -112.7    -1.2  Favored   7   7  0.21  10  0.60  molprobity     1  True   
 165   165  ?          93.3    12.4  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 166   166  OUTLIER  -102.8   149.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 167   167  p        -131.8   135.5  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 168   168  mt       -121.9   149.2  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 169   169  t        -110.8   136.9  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 170   170  OUTLIER  -144.5   173.4  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 171   171  tt0      -124.7   134.5  Favored   6   9  0.19  12  0.27  molprobity     1  True   
 172   172  p        -142.1   167.6  Favored   9   7  0.15  10  0.45  molprobity     1  True   
 173   173  OUTLIER  -125.2   164.2  Favored   6   9  0.19  13  0.55  molprobity     1  True   
 174   174  Cg_endo   -69.8   -30.4  Favored   7   8  0.15  11  0.28  molprobity     1  True   
 175   175  OUTLIER   -83.0    -1.4  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 176   176  OUTLIER   -85.9   131.0  Favored   4   8  0.15  11  0.25  molprobity     1  True   
 177   177  t        -104.5   153.9  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 178   178  mm        -49.1   -31.2  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 179   179  tt0       -65.4   -48.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 180   180  OUTLIER   -71.2   -32.6  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 181   181  t         -69.8   -44.8  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 182   182  tmtt?     -54.1   -42.0  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 183   183  ?         -58.8   -37.2  Favored   5   5  0.16   7  0.24  molprobity     1  True   
 184   184  OUTLIER   -68.3   -34.5  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 185   185  mp        -69.8   -41.2  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 186   186  OUTLIER   -70.1   -31.3  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 187   187  t0        -74.7    -9.9  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 188   188  OUTLIER  -106.8   -43.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 189   189  mt-10    -121.4   -34.1  Favored   6   9  0.17  12  0.31  molprobity     1  True   
 190   190  ?          83.0    19.2  Favored   3   4  0.23   5  0.23  molprobity     1  True   
 191   191  tt        -64.5   130.4  Favored  11   8  0.14  12  0.68  molprobity     1  True   
 192   192  Cg_endo   -69.7   113.7  Favored   7   8  0.11  12  0.56  molprobity     1  True   
 193   193  Cg_endo   -69.8    -5.0  Favored   7   8  0.14  11  0.27  molprobity     1  True   
 194   194  OUTLIER   -69.6   -24.9  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 195   195  pt20     -118.5     9.3  Favored   8   9  0.19  12  0.26  molprobity     1  True   
 196   196  tt0       -98.6   126.3  Favored   8   9  0.21  12  0.27  molprobity     1  True   
 197   197  mtm180   -122.2   108.3  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 198   198  OUTLIER   -90.1   132.6  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 199   199  mt       -127.5   142.3  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 200   200  t80      -159.8   130.9  Favored   9  12  0.34  16  0.22  molprobity     1  True   
 201   201  ?          61.2    24.7  Favored   5   5  0.10   7  0.33  molprobity     1  True   
 202   202  ?          80.1    -2.3  Favored   3   4  0.24   5  0.21  molprobity     1  True   
 203   203  OUTLIER  -107.7   132.9  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 204   204  mt-30     -70.7   116.3  Favored   8   9  0.23  12  0.26  molprobity     1  True   
 205   205  tp        -51.2   110.3  Allowed  11   8  0.18  11  0.23  molprobity     1  True   
 206   206  mp0       -84.7   134.6  Favored   6   9  0.20  12  0.27  molprobity     1  True   
 207   207  OUTLIER   -66.8   -24.9  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 208   208  ?         -81.6    -1.4  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 209   209  mpt_?     -97.9   160.3  Favored  13  11  0.15  14  0.25  molprobity     1  True   
 210   210  p        -112.4   162.2  Favored   7   7  0.23  10  0.54  molprobity     1  True   
 211   211  OUTLIER   -55.9   -55.5  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 212   212  p         -62.5   -32.9  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 213   213  t0        -63.4   -27.6  Favored   4   8  0.17  11  0.24  molprobity     1  True   
 214   214  m-85      -87.5    -0.7  Favored   9  13  0.25  18  0.22  molprobity     1  True   
 215   215  OUTLIER    55.1    35.9  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 216   216  mt        -75.5   105.7  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 217   217  mt-30     -74.6   179.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 218   218  ptpt      -76.1   143.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 219   219  mt-10      77.6    26.6  Allowed   6   9  0.19  12  0.26  molprobity     1  True   
 220   220  p         -81.9   149.8  Favored   5   6  0.18   8  0.25  molprobity     1  True   
 221   221  p        -113.2   127.3  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 222   222  OUTLIER  -111.4   149.3  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 223   223  m80       -88.1   139.1  Favored   7  11  0.15  15  0.20  molprobity     1  True   
 224   224  OUTLIER  -114.7   135.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 225   225  p         -91.2   152.1  Favored   9   7  0.16  10  0.46  molprobity     1  True   
 226   226  tt       -113.5   159.7  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 227   227  tmm_?    -110.8   116.4  Favored  13  11  0.17  14  0.26  molprobity     1  True   
 228   228  OUTLIER   -83.7   141.6  Favored  11   8  0.18  11  0.23  molprobity     1  True   
 229   229  mtt180   -109.9   103.2  Favored  13  11  0.14  14  0.29  molprobity     1  True   
 230   230  ?         108.3   114.7  Favored   3   4  0.20   5  0.35  molprobity     1  True   
 231   231  ?             ?       ?  ?         3   3  0.20   2  0.60  molprobity     1  True   
 232   232  ?             ?       ?  ?         5   4  0.22   5  0.21  molprobity     ?  False  
 233   233  mpp?      -61.8   144.2  Favored   9   8  0.23  10  0.25  molprobity     1  True   
 234   234  pt20      -88.9   142.3  Favored   8   9  0.21  12  0.25  molprobity     1  True   
 235   235  tt       -117.5   164.0  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 236   236  OUTLIER  -128.0   125.1  Favored   9  12  0.34  16  0.22  molprobity     1  True   
 237   237  t        -110.2   128.4  Favored   9   7  0.15  10  0.46  molprobity     1  True   
 238   238  mtpt     -104.3   147.6  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 239   239  p        -108.7   174.1  Favored   7   7  0.25  10  0.55  molprobity     1  True   
 240   240  pp        -88.5    -2.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 241   241  OUTLIER  -101.2     0.9  Favored   7   7  0.20  10  0.59  molprobity     1  True   
 242   242  ?          89.6    10.2  Favored   3   4  0.23   5  0.21  molprobity     1  True   
 243   243  tttp      -90.0   126.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 244   244  OUTLIER  -101.1   118.0  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 245   245  mt       -116.5   139.2  Favored  11   8  0.18  11  0.47  molprobity     1  True   
 246   246  m        -114.6   140.5  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 247   247  OUTLIER  -145.1   174.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 248   248  mt-10    -118.3   130.8  Favored   6   9  0.18  12  0.26  molprobity     1  True   
 249   249  t        -142.2   169.0  Favored   9   7  0.15  10  0.46  molprobity     1  True   
 250   250  OUTLIER  -127.1   165.9  Favored   6   9  0.16  13  0.54  molprobity     1  True   
 251   251  Cg_endo   -69.7   -32.6  Favored   7   8  0.14  11  0.27  molprobity     1  True   
 252   252  OUTLIER   -85.6    -0.5  Favored   5   6  0.21   8  0.23  molprobity     1  True   
 253   253  m-20      -88.2   139.1  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 254   254  t        -104.5   154.2  Favored   7   7  0.24  10  0.55  molprobity     1  True   
 255   255  mt        -52.0   -33.9  Favored  11   8  0.15  11  0.47  molprobity     1  True   
 256   256  OUTLIER   -59.0   -43.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 257   257  t30       -71.2   -44.3  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 258   258  t         -59.5   -42.9  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 259   259  OUTLIER   -55.8   -40.2  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 260   260  ?         -59.4   -36.3  Favored   5   5  0.17   7  0.23  molprobity     1  True   
 261   261  OUTLIER   -66.7   -34.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 262   262  mt        -68.2   -40.2  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 263   263  tt0       -66.7   -34.3  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 264   264  OUTLIER   -74.4    -9.6  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 265   265  OUTLIER  -106.6   -44.8  Favored  13   9  0.21  11  0.20  molprobity     1  True   
 266   266  OUTLIER  -121.2   -33.8  Favored   6   9  0.17  12  0.32  molprobity     1  True   
 267   267  ?          89.1    22.5  Favored   3   4  0.24   5  0.22  molprobity     1  True   
 268   268  tt        -60.0   131.9  Favored  11   8  0.14  12  0.68  molprobity     1  True   
 269   269  Cg_endo   -69.7   117.2  Favored   7   8  0.12  12  0.56  molprobity     1  True   
 270   270  Cg_endo   -69.8   -18.5  Favored   7   8  0.15  11  0.28  molprobity     1  True   
 271   271  m-20      -66.9   -23.8  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 272   272  OUTLIER  -119.5     9.8  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 273   273  tt0       -86.0   119.9  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 274   274  OUTLIER  -123.7   117.0  Favored  13  11  0.15  14  0.25  molprobity     1  True   
 275   275  mt       -107.5   136.7  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 276   276  mp       -139.0   144.0  Favored  11   8  0.18  11  0.48  molprobity     1  True   
 277   277  p90      -165.3   143.9  Favored   9  12  0.33  16  0.22  molprobity     1  True   
 278   278  ?          67.0    17.6  Favored   5   5  0.11   7  0.32  molprobity     1  True   
 279   279  ?          79.6    -2.7  Favored   3   4  0.25   5  0.21  molprobity     1  True   
 280   280  mmtp     -109.1   134.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 281   281  mt-30     -65.6   112.8  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 282   282  tp        -63.1   119.4  Favored  11   8  0.19  11  0.23  molprobity     1  True   
 283   283  OUTLIER   -85.2   132.1  Favored   6   9  0.21  12  0.26  molprobity     1  True   
 284   284  m-20      -67.7   -25.3  Favored   4   8  0.13  11  0.29  molprobity     1  True   
 285   285  ?         -80.4    -3.2  Favored   3   4  0.25   5  0.24  molprobity     1  True   
 286   286  OUTLIER   -93.5   166.2  Favored  13  11  0.15  14  0.24  molprobity     1  True   
 287   287  p        -111.8   163.5  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 288   288  OUTLIER   -57.1   -54.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 289   289  OUTLIER   -63.0   -33.1  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 290   290  m-20      -59.4   -33.3  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 291   291  OUTLIER   -95.4    12.0  Favored   9  13  0.26  18  0.22  molprobity     1  True   
 292   292  t-20       51.3    38.0  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 293   293  mt        -73.0    99.7  Allowed  11   8  0.17  11  0.47  molprobity     1  True   
 294   294  mt-30     -71.3   177.5  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 295   295  pttm      -74.8   143.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 296   296  tm-20      76.1    27.4  Allowed   6   9  0.20  12  0.27  molprobity     1  True   
 297   297  t         -79.2   150.6  Favored   5   6  0.18   8  0.23  molprobity     1  True   
 298   298  m        -114.6   123.5  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 299   299  mp       -113.3   147.6  Favored  11   8  0.17  11  0.25  molprobity     1  True   
 300   300  OUTLIER   -89.7   142.0  Favored   7  11  0.14  15  0.20  molprobity     1  True   
 301   301  mt       -120.1   135.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 302   302  p         -94.8   154.7  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 303   303  OUTLIER  -116.2   159.9  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 304   304  ttp85    -105.9   119.1  Favored  13  11  0.17  14  0.24  molprobity     1  True   
 305   305  tp        -81.5   149.1  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 306   306  mtt180   -106.0   113.9  Favored  13  11  0.14  14  0.30  molprobity     1  True   
 307   307  ?         112.3   119.4  Favored   3   4  0.20   5  0.36  molprobity     1  True   
 308   308  ?             ?       ?  ?         3   3  0.20   2  0.59  molprobity     1  True   
 309   309  ?             ?       ?  ?         5   4  0.24   5  0.22  molprobity     ?  False  
 310   310  mtm      -153.7   -71.4  Allowed   9   8  0.21  10  0.25  molprobity     1  True   
 311   311  tt0       -93.0   129.5  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 312   312  tt       -119.2   160.1  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 313   313  OUTLIER  -128.8   133.6  Favored   9  12  0.33  16  0.23  molprobity     1  True   
 314   314  m        -124.7   126.7  Favored   9   7  0.16  10  0.46  molprobity     1  True   
 315   315  mmtp     -101.4   147.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 316   316  m        -106.5   163.9  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 317   317  OUTLIER   -68.3   -12.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 318   318  OUTLIER   -92.3    -2.8  Favored   7   7  0.21  10  0.58  molprobity     1  True   
 319   319  ?          89.0    14.8  Favored   3   4  0.22   5  0.20  molprobity     1  True   
 320   320  OUTLIER   -88.2   127.5  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 321   321  p        -100.9   117.0  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 322   322  mm       -115.1   136.8  Favored  11   8  0.17  11  0.48  molprobity     1  True   
 323   323  t        -108.7   137.2  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 324   324  OUTLIER  -144.2   172.7  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 325   325  OUTLIER  -121.8   132.1  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 326   326  OUTLIER  -143.9   172.2  Favored   9   7  0.13  10  0.46  molprobity     1  True   
 327   327  OUTLIER  -126.5   165.3  Favored   6   9  0.17  13  0.55  molprobity     1  True   
 328   328  Cg_endo   -69.8   -31.4  Favored   7   8  0.13  11  0.27  molprobity     1  True   
 329   329  t         -83.2    -1.1  Favored   5   6  0.21   8  0.23  molprobity     1  True   
 330   330  OUTLIER   -80.5   132.9  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 331   331  OUTLIER  -104.7   149.7  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 332   332  mp        -57.7   -28.7  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 333   333  mt-10     -73.5   -41.0  Favored   6   9  0.18  12  0.27  molprobity     1  True   
 334   334  m-20      -74.0   -46.2  Favored   6   8  0.21  11  0.29  molprobity     1  True   
 335   335  t         -55.5   -31.1  Favored   9   7  0.16  10  0.46  molprobity     1  True   
 336   336  OUTLIER   -51.0   -42.4  Favored  13   9  0.21  11  0.20  molprobity     1  True   
 337   337  ?         -66.2   -40.8  Favored   5   5  0.16   7  0.23  molprobity     1  True   
 338   338  tttp      -60.6   -44.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 339   339  mt        -69.7   -36.5  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 340   340  OUTLIER   -71.2   -30.1  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 341   341  t0        -77.8    -9.7  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 342   342  tttm     -109.8   -39.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 343   343  mt-10    -122.2   -34.4  Favored   6   9  0.19  12  0.31  molprobity     1  True   
 344   344  ?          79.0    16.6  Favored   3   4  0.23   5  0.22  molprobity     1  True   
 345   345  mm        -76.1   128.5  Favored  11   8  0.15  12  0.68  molprobity     1  True   
 346   346  Cg_endo   -69.7   112.1  Favored   7   8  0.10  12  0.56  molprobity     1  True   
 347   347  Cg_endo   -69.8     5.4  Allowed   7   8  0.15  11  0.28  molprobity     1  True   
 348   348  m-20      -73.3   -21.8  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 349   349  mp0      -108.3    -5.1  Favored   8   9  0.20  12  0.27  molprobity     1  True   
 350   350  OUTLIER   -90.6   129.0  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 351   351  OUTLIER  -120.6   107.2  Favored  13  11  0.17  14  0.25  molprobity     1  True   
 352   352  mp        -88.8   130.5  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 353   353  mm       -125.5   132.8  Favored  11   8  0.18  11  0.47  molprobity     1  True   
 354   354  t80      -153.3   131.0  Favored   9  12  0.35  16  0.23  molprobity     1  True   
 355   355  ?          61.0    23.4  Favored   5   5  0.11   7  0.33  molprobity     1  True   
 356   356  ?          79.8    -0.6  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 357   357  OUTLIER  -104.5   131.8  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 358   358  pm0       -74.3   118.4  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 359   359  tt        -52.2   105.1  Allowed  11   8  0.18  11  0.24  molprobity     1  True   
 360   360  tt0       -83.0   136.9  Favored   6   9  0.21  12  0.27  molprobity     1  True   
 361   361  m-20      -63.3   -30.2  Favored   4   8  0.14  11  0.30  molprobity     1  True   
 362   362  ?         -79.6     0.4  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 363   363  mmt180   -100.3   164.6  Favored  13  11  0.14  14  0.24  molprobity     1  True   
 364   364  m        -117.7   162.7  Favored   7   7  0.24  10  0.55  molprobity     1  True   
 365   365  OUTLIER   -55.8   -56.0  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 366   366  OUTLIER   -62.3   -29.9  Favored   5   6  0.20   8  0.24  molprobity     1  True   
 367   367  OUTLIER   -66.4   -27.6  Favored   4   8  0.16  11  0.25  molprobity     1  True   
 368   368  m-85      -89.4    -4.1  Favored   9  13  0.25  18  0.21  molprobity     1  True   
 369   369  OUTLIER    61.4    35.1  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 370   370  mt        -74.6   103.3  Favored  11   8  0.17  11  0.48  molprobity     1  True   
 371   371  mm100     -71.9   177.8  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 372   372  pttt      -74.2   142.7  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 373   373  tt0        75.7    28.1  Allowed   6   9  0.21  12  0.26  molprobity     1  True   
 374   374  OUTLIER   -78.9   151.8  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 375   375  m        -116.5   122.5  Favored   7   7  0.24  10  0.56  molprobity     1  True   
 376   376  mm?      -111.0   149.5  Favored  11   8  0.17  11  0.23  molprobity     1  True   
 377   377  t-80      -92.4   140.8  Favored   7  11  0.15  15  0.20  molprobity     1  True   
 378   378  mt       -123.7   108.9  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 379   379  p        -100.8   152.7  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 380   380  OUTLIER  -113.4   142.0  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 381   381  tpp180    -99.3   119.1  Favored  13  11  0.16  14  0.24  molprobity     1  True   
 382   382  OUTLIER   -86.2   144.8  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 383   383  OUTLIER  -115.0   112.1  Favored  13  11  0.13  14  0.30  molprobity     1  True   
 384   384  ?         119.2   112.6  Favored   3   4  0.19   5  0.36  molprobity     1  True   
 385   385  ?             ?       ?  ?         3   3  0.23   2  0.61  molprobity     1  True   
 386   386  ?             ?       ?  ?         5   4  0.23   5  0.22  molprobity     ?  False  
 387   387  mtt      -124.3    94.0  Favored   9   8  0.22  10  0.25  molprobity     1  True   
 388   388  pt20      -92.2   147.5  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 389   389  pp       -128.7   168.5  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 390   390  OUTLIER  -135.1   127.8  Favored   9  12  0.34  16  0.22  molprobity     1  True   
 391   391  p        -115.0   131.8  Favored   9   7  0.16  10  0.46  molprobity     1  True   
 392   392  OUTLIER  -101.4   146.5  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 393   393  OUTLIER  -109.3   173.4  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 394   394  OUTLIER   -82.4     0.3  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 395   395  OUTLIER  -105.9     9.6  Favored   7   7  0.20  10  0.58  molprobity     1  True   
 396   396  ?          77.8    14.3  Favored   3   4  0.24   5  0.22  molprobity     1  True   
 397   397  mptt      -94.9   134.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 398   398  p        -110.1   124.2  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 399   399  mm       -118.8   140.7  Favored  11   8  0.15  11  0.47  molprobity     1  True   
 400   400  t        -112.7   139.6  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 401   401  OUTLIER  -140.9   169.1  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 402   402  mp0      -121.4   133.4  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 403   403  m        -150.8  -179.4  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
 404   404  mp0      -125.0   165.1  Favored   6   9  0.17  13  0.55  molprobity     1  True   
 405   405  Cg_endo   -69.8   -31.0  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 406   406  OUTLIER   -84.1     1.1  Favored   5   6  0.20   8  0.23  molprobity     1  True   
 407   407  OUTLIER   -82.2   147.6  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 408   408  p        -103.4   156.0  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 409   409  tp        -61.6   -37.5  Favored  11   8  0.17  11  0.48  molprobity     1  True   
 410   410  OUTLIER   -64.0   -29.6  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 411   411  OUTLIER   -74.7   -24.1  Favored   6   8  0.21  11  0.28  molprobity     1  True   
 412   412  t         -76.8   -43.2  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 413   413  pttt      -70.9   -36.4  Favored  13   9  0.21  11  0.20  molprobity     1  True   
 414   414  ?         -57.9   -34.6  Favored   5   5  0.16   7  0.24  molprobity     1  True   
 415   415  ttpp      -68.5   -32.0  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 416   416  mm        -66.5   -39.0  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 417   417  mt-30     -66.3   -31.0  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 418   418  OUTLIER   -76.9    -9.8  Favored   4   8  0.17  11  0.24  molprobity     1  True   
 419   419  ttpt     -108.8   -36.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 420   420  tp10     -126.9   -35.4  Favored   6   9  0.17  12  0.31  molprobity     1  True   
 421   421  ?          84.0    25.4  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 422   422  pt        -73.3   131.5  Favored  11   8  0.15  12  0.68  molprobity     1  True   
 423   423  Cg_endo   -69.8   110.9  Favored   7   8  0.11  12  0.56  molprobity     1  True   
 424   424  Cg_endo   -69.7     1.0  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 425   425  m-20      -69.2   -17.1  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 426   426  OUTLIER  -115.4     7.1  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 427   427  OUTLIER  -103.0   129.0  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 428   428  mtt-85   -125.8   120.6  Favored  13  11  0.15  14  0.25  molprobity     1  True   
 429   429  mt        -98.0   135.1  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 430   430  pt       -133.6   137.8  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 431   431  t80      -157.6   136.9  Favored   9  12  0.33  16  0.22  molprobity     1  True   
 432   432  ?          67.4    15.6  Favored   5   5  0.11   7  0.33  molprobity     1  True   
 433   433  ?          79.9    -1.1  Favored   3   4  0.23   5  0.22  molprobity     1  True   
 434   434  tppp?    -113.8   137.2  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 435   435  pt20      -77.7   128.9  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 436   436  OUTLIER   -89.0   135.8  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 437   437  mt-10     -88.8   145.2  Favored   6   9  0.22  12  0.26  molprobity     1  True   
 438   438  p30       -61.5   -23.1  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 439   439  ?         -89.5     9.3  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 440   440  mmt85    -104.0   149.9  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 441   441  t        -103.9   162.2  Favored   7   7  0.24  10  0.55  molprobity     1  True   
 442   442  mt        -61.1   -48.0  Favored  11   8  0.20  11  0.25  molprobity     1  True   
 443   443  OUTLIER   -51.8   -44.0  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 444   444  t70       -62.9   -28.7  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 445   445  OUTLIER   -78.5   -11.7  Favored   9  13  0.25  18  0.22  molprobity     1  True   
 446   446  OUTLIER    57.8    35.3  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 447   447  pt        -80.3   115.8  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 448   448  OUTLIER   -68.0   174.4  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 449   449  OUTLIER   -72.3   142.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 450   450  mt-10      72.1    28.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 451   451  OUTLIER   -68.5   163.0  Favored   5   6  0.19   8  0.25  molprobity     1  True   
 452   452  OUTLIER  -120.2   119.4  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 453   453  OUTLIER  -114.9   145.4  Favored  11   8  0.17  11  0.25  molprobity     1  True   
 454   454  m170      -85.5   144.3  Favored   7  11  0.16  15  0.21  molprobity     1  True   
 455   455  OUTLIER  -121.3   135.9  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 456   456  m        -103.5   157.2  Favored   9   7  0.16  10  0.46  molprobity     1  True   
 457   457  OUTLIER  -115.6   160.7  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 458   458  ttt85    -106.2   119.2  Favored  13  11  0.16  14  0.27  molprobity     1  True   
 459   459  OUTLIER   -88.5   141.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 460   460  mtp-105  -116.2   105.3  Favored  13  11  0.14  14  0.31  molprobity     1  True   
 461   461  ?         107.7   113.2  Favored   3   4  0.21   5  0.36  molprobity     1  True   
 462   462  ?             ?       ?  ?         3   3  0.20   2  0.62  molprobity     1  True   
 463   463  ?             ?       ?  ?         5   4  0.22   5  0.21  molprobity     ?  False  
 464   464  OUTLIER  -123.7    -3.7  Favored   9   8  0.22  10  0.25  molprobity     1  True   
 465   465  tt0       -91.3   143.3  Favored   8   9  0.21  12  0.25  molprobity     1  True   
 466   466  tt       -129.8   160.9  Favored  11   8  0.18  11  0.47  molprobity     1  True   
 467   467  OUTLIER  -130.2   135.0  Favored   9  12  0.34  16  0.22  molprobity     1  True   
 468   468  t        -124.0   125.5  Favored   9   7  0.15  10  0.45  molprobity     1  True   
 469   469  mmmt      -98.3   146.4  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 470   470  OUTLIER  -107.0   176.5  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 471   471  OUTLIER   -87.8    10.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 472   472  OUTLIER  -116.0    20.6  Favored   7   7  0.20  10  0.59  molprobity     1  True   
 473   473  ?          66.5    12.2  Favored   3   4  0.23   5  0.21  molprobity     1  True   
 474   474  OUTLIER   -91.7   133.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 475   475  OUTLIER  -100.4   114.7  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 476   476  mm       -112.2   132.2  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 477   477  t        -116.4   138.5  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 478   478  tp       -140.6   171.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 479   479  pt-20    -119.0   132.3  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 480   480  m        -153.0  -178.5  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
 481   481  mt-10    -122.1   164.0  Favored   6   9  0.17  13  0.55  molprobity     1  True   
 482   482  Cg_endo   -69.8   -30.0  Favored   7   8  0.14  11  0.28  molprobity     1  True   
 483   483  OUTLIER   -85.2     4.0  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 484   484  t0        -82.2   141.8  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 485   485  m        -104.4   154.0  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 486   486  mm        -61.8   -47.6  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 487   487  tt0       -56.0   -34.2  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 488   488  OUTLIER   -74.9   -31.0  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 489   489  t         -72.0   -33.1  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 490   490  OUTLIER   -66.0   -37.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 491   491  ?         -60.5   -34.7  Favored   5   5  0.16   7  0.24  molprobity     1  True   
 492   492  tptt      -69.7   -35.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 493   493  OUTLIER   -65.7   -36.4  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 494   494  tt0       -69.6   -31.0  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 495   495  t0        -77.1   -10.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 496   496  ttmt     -107.5   -40.6  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 497   497  tp10     -123.3   -34.4  Favored   6   9  0.16  12  0.31  molprobity     1  True   
 498   498  ?          81.5    23.0  Favored   3   4  0.26   5  0.23  molprobity     1  True   
 499   499  pt        -74.6   138.6  Favored  11   8  0.14  12  0.68  molprobity     1  True   
 500   500  Cg_endo   -69.7   111.7  Favored   7   8  0.11  12  0.56  molprobity     1  True   
 501   501  Cg_endo   -69.8    -8.7  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 502   502  OUTLIER   -64.5   -14.7  Favored   4   8  0.14  11  0.24  molprobity     1  True   
 503   503  mt-30    -113.2     8.8  Favored   8   9  0.21  12  0.25  molprobity     1  True   
 504   504  tt0      -104.3   126.0  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 505   505  OUTLIER  -126.8   115.4  Favored  13  11  0.17  14  0.25  molprobity     1  True   
 506   506  mt        -92.0   133.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 507   507  tt       -139.5   139.9  Favored  11   8  0.18  11  0.47  molprobity     1  True   
 508   508  t80      -161.7   144.1  Favored   9  12  0.35  16  0.22  molprobity     1  True   
 509   509  ?          64.9    22.0  Favored   5   5  0.12   7  0.33  molprobity     1  True   
 510   510  ?          78.0    -2.5  Favored   3   4  0.26   5  0.21  molprobity     1  True   
 511   511  OUTLIER  -109.0   132.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 512   512  pm0       -69.0   116.2  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 513   513  tm?       -61.9   116.9  Favored  11   8  0.19  11  0.23  molprobity     1  True   
 514   514  mt-10     -86.7   141.2  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 515   515  p30       -61.9   -22.1  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 516   516  ?         -86.6    10.6  Favored   3   4  0.22   5  0.23  molprobity     1  True   
 517   517  mmt180   -103.4   157.0  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 518   518  OUTLIER  -112.2   161.8  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 519   519  OUTLIER   -57.1   -54.5  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 520   520  t         -65.8   -29.6  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 521   521  OUTLIER   -62.4   -26.3  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 522   522  OUTLIER   -96.3    11.0  Favored   9  13  0.25  18  0.22  molprobity     1  True   
 523   523  t30        50.7    38.2  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 524   524  mm        -72.8    99.3  Allowed  11   8  0.16  11  0.47  molprobity     1  True   
 525   525  mt-30     -70.8   177.1  Favored   8   9  0.21  12  0.27  molprobity     1  True   
 526   526  pttt      -74.6   142.9  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 527   527  OUTLIER    75.1    27.2  Allowed   6   9  0.20  12  0.26  molprobity     1  True   
 528   528  p         -80.2   154.9  Favored   5   6  0.18   8  0.24  molprobity     1  True   
 529   529  p        -124.9   118.0  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 530   530  mp       -105.0   157.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 531   531  t-80      -92.7   139.9  Favored   7  11  0.16  15  0.21  molprobity     1  True   
 532   532  OUTLIER  -120.8   127.0  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 533   533  p         -88.1   155.2  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 534   534  tt       -114.2   159.6  Favored  11   8  0.20  11  0.25  molprobity     1  True   
 535   535  OUTLIER  -106.0   119.0  Favored  13  11  0.16  14  0.24  molprobity     1  True   
 536   536  tp        -85.7   142.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 537   537  OUTLIER  -103.1   113.3  Favored  13  11  0.14  14  0.29  molprobity     1  True   
 538   538  ?         116.4   116.7  Favored   3   4  0.20   5  0.36  molprobity     1  True   
 539   539  ?             ?       ?  ?         3   3  0.20   2  0.61  molprobity     1  True   
 540   540  ?             ?       ?  ?         5   4  0.23   5  0.23  molprobity     ?  False  
 541   541  tpp        76.0    -5.0  Favored   9   8  0.22  10  0.26  molprobity     1  True   
 542   542  OUTLIER   -93.4   128.9  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 543   543  mm       -120.2   160.9  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 544   544  OUTLIER  -127.5   137.7  Favored   9  12  0.34  16  0.23  molprobity     1  True   
 545   545  t        -120.4   130.1  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 546   546  tttt     -105.5   135.0  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 547   547  p        -107.2  -173.0  Favored   7   7  0.22  10  0.54  molprobity     1  True   
 548   548  mt        -90.6    -2.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 549   549  p         -98.9    13.6  Favored   7   7  0.20  10  0.58  molprobity     1  True   
 550   550  ?          69.8    15.9  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 551   551  tptt     -100.9   149.3  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 552   552  t        -124.8   130.1  Favored   7   7  0.24  10  0.56  molprobity     1  True   
 553   553  mm       -115.0   145.1  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 554   554  t        -113.7   134.9  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 555   555  pp       -142.7   173.4  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 556   556  pt-20    -131.9   140.2  Favored   6   9  0.19  12  0.27  molprobity     1  True   
 557   557  m        -150.7   179.9  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
 558   558  OUTLIER  -125.0   164.4  Favored   6   9  0.19  13  0.55  molprobity     1  True   
 559   559  Cg_endo   -69.8   -30.5  Favored   7   8  0.14  11  0.27  molprobity     1  True   
 560   560  OUTLIER   -84.8     0.1  Favored   5   6  0.21   8  0.23  molprobity     1  True   
 561   561  t0        -84.6   142.5  Favored   4   8  0.17  11  0.24  molprobity     1  True   
 562   562  m        -104.4   153.7  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 563   563  mm        -57.9   -44.0  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 564   564  tm-20     -56.0   -35.4  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 565   565  m120      -72.4   -45.3  Favored   6   8  0.21  11  0.29  molprobity     1  True   
 566   566  t         -58.0   -36.5  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 567   567  OUTLIER   -69.0   -37.7  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 568   568  ?         -63.0   -34.0  Favored   5   5  0.18   7  0.23  molprobity     1  True   
 569   569  OUTLIER   -68.0   -34.1  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 570   570  OUTLIER   -68.8   -33.5  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 571   571  tt0       -69.2   -30.8  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 572   572  m-20      -78.5   -10.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 573   573  tttp     -108.5   -39.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 574   574  mm-40    -123.1   -34.5  Favored   6   9  0.19  12  0.30  molprobity     1  True   
 575   575  ?          80.6    21.1  Favored   3   4  0.24   5  0.21  molprobity     1  True   
 576   576  OUTLIER   -69.7   144.5  Favored  11   8  0.13  12  0.68  molprobity     1  True   
 577   577  Cg_endo   -69.8   118.2  Favored   7   8  0.12  12  0.57  molprobity     1  True   
 578   578  Cg_endo   -69.8   -24.9  Favored   7   8  0.16  11  0.27  molprobity     1  True   
 579   579  m-20      -67.8   -15.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 580   580  mm-40    -103.5   -11.9  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 581   581  OUTLIER   -91.2   123.7  Favored   8   9  0.20  12  0.26  molprobity     1  True   
 582   582  OUTLIER  -122.3   109.7  Favored  13  11  0.17  14  0.23  molprobity     1  True   
 583   583  OUTLIER   -98.3   136.8  Favored  11   8  0.20  11  0.25  molprobity     1  True   
 584   584  mt       -137.9   143.6  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 585   585  t80      -160.5   141.2  Favored   9  12  0.33  16  0.23  molprobity     1  True   
 586   586  ?          62.4    23.5  Favored   5   5  0.11   7  0.33  molprobity     1  True   
 587   587  ?          79.2    -1.8  Favored   3   4  0.24   5  0.22  molprobity     1  True   
 588   588  OUTLIER  -110.0   132.7  Favored  13   9  0.21  11  0.22  molprobity     1  True   
 589   589  pt20      -72.8   120.2  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 590   590  OUTLIER   -55.1   112.2  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
 591   591  tt0       -82.5   132.5  Favored   6   9  0.21  12  0.26  molprobity     1  True   
 592   592  p30       -62.0   -25.3  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 593   593  ?         -86.5     2.9  Favored   3   4  0.25   5  0.22  molprobity     1  True   
 594   594  ttt180   -103.8   160.7  Favored  13  11  0.15  14  0.25  molprobity     1  True   
 595   595  p        -109.4   162.6  Favored   7   7  0.24  10  0.55  molprobity     1  True   
 596   596  mm?       -57.5   -51.6  Favored  11   8  0.19  11  0.23  molprobity     1  True   
 597   597  t         -63.9   -28.0  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 598   598  m-20      -65.7   -27.3  Favored   4   8  0.18  11  0.24  molprobity     1  True   
 599   599  OUTLIER   -79.8   -14.3  Favored   9  13  0.24  18  0.22  molprobity     1  True   
 600   600  OUTLIER    65.2    32.1  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 601   601  pt        -81.1   123.0  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 602   602  mt-30     -75.9   178.0  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 603   603  mmtp      -72.2   141.9  Favored  13   9  0.21  11  0.20  molprobity     1  True   
 604   604  OUTLIER    75.7    31.1  Allowed   6   9  0.19  12  0.26  molprobity     1  True   
 605   605  OUTLIER   -81.0   150.9  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 606   606  OUTLIER  -114.8   123.7  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 607   607  mt       -112.6   149.1  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 608   608  OUTLIER   -87.1   141.8  Favored   7  11  0.16  15  0.20  molprobity     1  True   
 609   609  tt       -124.3   129.1  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 610   610  m        -107.1   154.5  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 611   611  tt       -116.0   155.5  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 612   612  OUTLIER  -117.5   115.1  Favored  13  11  0.15  14  0.24  molprobity     1  True   
 613   613  mt        -90.7   153.0  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 614   614  mtm-85   -117.6   112.0  Favored  13  11  0.13  14  0.30  molprobity     1  True   
 615   615  ?         123.4   106.3  Allowed   3   4  0.18   5  0.36  molprobity     1  True   
 616   616  ?             ?       ?  ?         3   3  0.18   2  0.62  molprobity     1  True   
 617   617  ?             ?       ?  ?         5   4  0.22   5  0.22  molprobity     ?  False  
 618   618  mtt        59.9    67.4  Allowed   9   8  0.21  10  0.25  molprobity     1  True   
 619   619  pt20      -86.1   145.0  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 620   620  pp       -127.8   161.0  Favored  11   8  0.18  11  0.48  molprobity     1  True   
 621   621  OUTLIER  -126.0   126.7  Favored   9  12  0.33  16  0.22  molprobity     1  True   
 622   622  t        -104.0   128.5  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 623   623  tttp     -100.4   135.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 624   624  OUTLIER  -106.2   172.7  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 625   625  OUTLIER   -82.4     1.1  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 626   626  t         -95.9    -3.9  Favored   7   7  0.20  10  0.58  molprobity     1  True   
 627   627  ?          91.0     6.8  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 628   628  tttt     -104.1   158.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 629   629  t        -134.3   139.0  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 630   630  tt       -119.5   150.8  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 631   631  t        -108.1   136.8  Favored   7   7  0.24  10  0.56  molprobity     1  True   
 632   632  tp       -144.5   172.0  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 633   633  mt-10    -132.2   141.1  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 634   634  m        -148.6   177.8  Allowed   9   7  0.16  10  0.46  molprobity     1  True   
 635   635  OUTLIER  -124.9   165.8  Favored   6   9  0.18  13  0.55  molprobity     1  True   
 636   636  Cg_endo   -69.8   -32.2  Favored   7   8  0.14  11  0.27  molprobity     1  True   
 637   637  p         -86.4     2.2  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 638   638  t0        -86.5   134.4  Favored   4   8  0.16  11  0.23  molprobity     1  True   
 639   639  t        -105.3   150.0  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 640   640  mm        -53.0   -23.1  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 641   641  tp10      -71.0   -40.5  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 642   642  m-80      -81.5   -23.8  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 643   643  t         -75.7   -39.9  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 644   644  pttp      -60.6   -35.4  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 645   645  ?         -61.6   -37.7  Favored   5   5  0.17   7  0.24  molprobity     1  True   
 646   646  tttp      -68.1   -33.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 647   647  mt        -67.5   -38.4  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 648   648  OUTLIER   -66.1   -31.4  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 649   649  OUTLIER   -76.9    -9.8  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 650   650  ttpp     -107.1   -42.1  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 651   651  mm-40    -123.1   -34.3  Favored   6   9  0.18  12  0.31  molprobity     1  True   
 652   652  ?          87.9    23.2  Favored   3   4  0.24   5  0.22  molprobity     1  True   
 653   653  OUTLIER   -73.0   131.1  Favored  11   8  0.15  12  0.68  molprobity     1  True   
 654   654  Cg_endo   -69.8   111.2  Favored   7   8  0.12  12  0.56  molprobity     1  True   
 655   655  Cg_endo   -69.8    -2.0  Favored   7   8  0.15  11  0.28  molprobity     1  True   
 656   656  m-20      -75.0   -15.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 657   657  mm100    -119.9   -11.3  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 658   658  OUTLIER   -64.0   125.0  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 659   659  OUTLIER  -114.8    95.9  Favored  13  11  0.17  14  0.27  molprobity     1  True   
 660   660  OUTLIER   -78.4   130.6  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 661   661  tt       -134.5   132.5  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 662   662  t80      -163.9   137.2  Favored   9  12  0.34  16  0.23  molprobity     1  True   
 663   663  ?          67.0    20.1  Favored   5   5  0.13   7  0.33  molprobity     1  True   
 664   664  ?          80.0    -3.0  Favored   3   4  0.25   5  0.22  molprobity     1  True   
 665   665  mttt     -113.8   136.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 666   666  mt-30     -76.7   125.6  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 667   667  OUTLIER   -71.6   124.1  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 668   668  OUTLIER   -85.3   135.8  Favored   6   9  0.22  12  0.26  molprobity     1  True   
 669   669  p-10      -59.0   -25.8  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 670   670  ?         -88.0     2.9  Favored   3   4  0.23   5  0.22  molprobity     1  True   
 671   671  OUTLIER  -104.3   153.1  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 672   672  p        -103.0   162.1  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 673   673  mt        -59.2   -49.6  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 674   674  t         -55.5   -37.2  Favored   5   6  0.19   8  0.22  molprobity     1  True   
 675   675  m-20      -61.9   -30.4  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 676   676  OUTLIER   -91.0     6.6  Favored   9  13  0.25  18  0.23  molprobity     1  True   
 677   677  t30        50.6    39.2  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 678   678  mt        -72.2    97.5  Allowed  11   8  0.17  11  0.46  molprobity     1  True   
 679   679  mt-30     -68.0   174.8  Favored   8   9  0.22  12  0.25  molprobity     1  True   
 680   680  OUTLIER   -70.9   141.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 681   681  tm-20      79.0    34.0  Allowed   6   9  0.20  12  0.26  molprobity     1  True   
 682   682  t         -79.5   147.5  Favored   5   6  0.18   8  0.24  molprobity     1  True   
 683   683  p        -117.5   122.6  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 684   684  mt       -107.4   149.2  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 685   685  OUTLIER  -106.4   138.3  Favored   7  11  0.14  15  0.20  molprobity     1  True   
 686   686  mt       -117.4   119.9  Favored  11   8  0.17  11  0.24  molprobity     1  True   
 687   687  p        -112.4   150.4  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 688   688  mp        -86.3   126.1  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 689   689  OUTLIER  -115.7    82.5  Allowed  13  11  0.16  14  0.25  molprobity     1  True   
 690   690  mp       -103.7   127.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 691   691  ttp180   -118.9    91.2  Favored  13  11  0.14  14  0.30  molprobity     1  True   
 692   692  ?         122.7   108.0  Allowed   3   4  0.21   5  0.36  molprobity     1  True   
 693   693  ?             ?       ?  ?         3   3  0.19   2  0.61  molprobity     1  True   
 694   694  ?             ?       ?  ?         5   4  0.24   5  0.23  molprobity     ?  False  
 695   695  mmt        63.4    16.1  Favored   9   8  0.22  10  0.25  molprobity     1  True   
 696   696  OUTLIER   -96.2   136.0  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 697   697  pt       -131.4   163.8  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 698   698  OUTLIER  -128.5   129.6  Favored   9  12  0.35  16  0.22  molprobity     1  True   
 699   699  t        -112.2   126.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 700   700  mtpt     -102.5   134.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 701   701  OUTLIER  -101.3  -175.1  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 702   702  mt        -89.4    12.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 703   703  OUTLIER  -118.7    19.6  Favored   7   7  0.20  10  0.59  molprobity     1  True   
 704   704  ?          64.9    16.7  Favored   3   4  0.25   5  0.22  molprobity     1  True   
 705   705  mttm      -95.7   130.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 706   706  p        -107.3   125.4  Favored   7   7  0.24  10  0.55  molprobity     1  True   
 707   707  mp       -120.5   145.2  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 708   708  t        -116.2   139.5  Favored   7   7  0.24  10  0.56  molprobity     1  True   
 709   709  OUTLIER  -143.2   173.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 710   710  tt0      -130.8   138.8  Favored   6   9  0.20  12  0.27  molprobity     1  True   
 711   711  m        -151.9  -177.7  Allowed   9   7  0.13  10  0.45  molprobity     1  True   
 712   712  mt-10    -125.2   162.4  Favored   6   9  0.18  13  0.55  molprobity     1  True   
 713   713  Cg_endo   -69.7   -28.5  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 714   714  OUTLIER   -83.6    -0.6  Favored   5   6  0.21   8  0.23  molprobity     1  True   
 715   715  OUTLIER   -79.1   135.2  Favored   4   8  0.15  11  0.23  molprobity     1  True   
 716   716  p        -104.7   151.6  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 717   717  mm        -56.3   -32.8  Favored  11   8  0.18  11  0.47  molprobity     1  True   
 718   718  tt0       -68.0   -43.4  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 719   719  m-20      -72.8   -25.8  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 720   720  t         -76.3   -41.5  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 721   721  OUTLIER   -60.9   -40.0  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 722   722  ?         -57.6   -36.9  Favored   5   5  0.15   7  0.24  molprobity     1  True   
 723   723  OUTLIER   -68.0   -34.6  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 724   724  mm        -67.5   -40.1  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 725   725  tt0       -68.7   -33.3  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 726   726  m-20      -75.6    -9.7  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 727   727  OUTLIER  -107.5   -41.5  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 728   728  mp0      -123.2   -34.5  Favored   6   9  0.19  12  0.31  molprobity     1  True   
 729   729  ?          84.2    17.1  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 730   730  mm        -60.1   127.2  Favored  11   8  0.15  12  0.68  molprobity     1  True   
 731   731  Cg_endo   -69.8   113.2  Favored   7   8  0.11  12  0.56  molprobity     1  True   
 732   732  Cg_endo   -69.7    -1.1  Favored   7   8  0.16  11  0.28  molprobity     1  True   
 733   733  m-20      -73.6   -25.8  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 734   734  OUTLIER  -113.0     4.9  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 735   735  OUTLIER   -98.2   128.2  Favored   8   9  0.22  12  0.25  molprobity     1  True   
 736   736  mtt180   -117.8   105.0  Favored  13  11  0.17  14  0.26  molprobity     1  True   
 737   737  OUTLIER   -81.2   129.4  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 738   738  OUTLIER  -140.7   137.5  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 739   739  m-85     -155.1   138.6  Favored   9  12  0.33  16  0.23  molprobity     1  True   
 740   740  ?          64.8    22.1  Favored   5   5  0.10   7  0.33  molprobity     1  True   
 741   741  ?          80.5    -1.3  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 742   742  mmtt     -114.2   137.5  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 743   743  pt20      -75.2   123.3  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 744   744  tp        -71.8   126.3  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 745   745  mm-40     -87.0   139.9  Favored   6   9  0.21  12  0.27  molprobity     1  True   
 746   746  OUTLIER   -60.2   -22.1  Favored   4   8  0.12  11  0.29  molprobity     1  True   
 747   747  ?         -90.8    10.4  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 748   748  mmt-85   -105.5   159.1  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 749   749  p        -113.1   161.9  Favored   7   7  0.24  10  0.56  molprobity     1  True   
 750   750  OUTLIER   -59.8   -51.6  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 751   751  OUTLIER   -57.4   -35.5  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 752   752  t0        -62.9   -27.9  Favored   4   8  0.17  11  0.24  molprobity     1  True   
 753   753  OUTLIER   -87.7     0.4  Favored   9  13  0.24  18  0.22  molprobity     1  True   
 754   754  m-20       54.7    37.0  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 755   755  mm        -70.3    93.9  Allowed  11   8  0.17  11  0.47  molprobity     1  True   
 756   756  pt20      -72.6   176.5  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 757   757  OUTLIER   -75.8   143.3  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 758   758  tt0        76.6    21.2  Allowed   6   9  0.21  12  0.26  molprobity     1  True   
 759   759  t         -84.5   145.9  Favored   5   6  0.18   8  0.24  molprobity     1  True   
 760   760  t        -102.1   132.3  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 761   761  mp       -120.0   145.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 762   762  t-160     -93.2   137.4  Favored   7  11  0.16  15  0.20  molprobity     1  True   
 763   763  mt       -121.7   132.3  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 764   764  p        -108.0   154.1  Favored   9   7  0.15  10  0.45  molprobity     1  True   
 765   765  OUTLIER  -115.8   159.1  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 766   766  OUTLIER  -109.6   118.9  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 767   767  OUTLIER   -85.8   151.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 768   768  OUTLIER  -116.2   110.3  Favored  13  11  0.13  14  0.29  molprobity     1  True   
 769   769  ?         113.2   114.3  Favored   3   4  0.21   5  0.35  molprobity     1  True   
 770   770  ?             ?       ?  ?         3   3  0.20   2  0.61  molprobity     1  True   
 771   771  ?             ?       ?  ?         5   4  0.21   5  0.22  molprobity     ?  False  
 772   772  ttt      -150.8   -73.7  Allowed   9   8  0.22  10  0.25  molprobity     1  True   
 773   773  OUTLIER   -96.0   118.2  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 774   774  OUTLIER  -136.8   156.3  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 775   775  OUTLIER  -123.3   135.2  Favored   9  12  0.33  16  0.22  molprobity     1  True   
 776   776  m        -105.3   132.5  Favored   9   7  0.15  10  0.46  molprobity     1  True   
 777   777  tttm     -101.0   144.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 778   778  OUTLIER  -105.8   175.8  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 779   779  OUTLIER   -85.1     2.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 780   780  OUTLIER  -109.0    16.1  Favored   7   7  0.20  10  0.58  molprobity     1  True   
 781   781  ?          71.2    14.0  Favored   3   4  0.23   5  0.22  molprobity     1  True   
 782   782  OUTLIER   -89.8   127.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 783   783  m        -100.7   117.2  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 784   784  mt       -115.9   138.3  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 785   785  t        -115.1   139.9  Favored   7   7  0.24  10  0.55  molprobity     1  True   
 786   786  mt       -144.9   174.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 787   787  mt-10    -124.4   135.3  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 788   788  OUTLIER  -149.5   176.9  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
 789   789  mt-10    -122.7   164.0  Favored   6   9  0.18  13  0.55  molprobity     1  True   
 790   790  Cg_endo   -69.8   -30.1  Favored   7   8  0.14  11  0.28  molprobity     1  True   
 791   791  t         -85.8     3.1  Favored   5   6  0.21   8  0.24  molprobity     1  True   
 792   792  OUTLIER   -89.6   137.7  Favored   4   8  0.14  11  0.25  molprobity     1  True   
 793   793  t        -104.8   154.0  Favored   7   7  0.21  10  0.56  molprobity     1  True   
 794   794  OUTLIER   -62.2   -22.0  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 795   795  OUTLIER   -77.7   -36.4  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 796   796  t30       -76.0   -29.7  Favored   6   8  0.21  11  0.29  molprobity     1  True   
 797   797  t         -72.2   -29.2  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 798   798  tmtt?     -50.5   -42.0  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 799   799  ?         -67.5   -37.6  Favored   5   5  0.16   7  0.24  molprobity     1  True   
 800   800  tptm      -62.9   -47.1  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 801   801  tp        -64.8   -33.0  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 802   802  tt0       -66.7   -38.3  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 803   803  OUTLIER   -72.1   -10.1  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 804   804  OUTLIER  -104.9   -44.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 805   805  tp10     -122.8   -34.0  Favored   6   9  0.19  12  0.31  molprobity     1  True   
 806   806  ?          89.6    20.9  Favored   3   4  0.22   5  0.23  molprobity     1  True   
 807   807  mt        -81.5   124.9  Favored  11   8  0.14  12  0.68  molprobity     1  True   
 808   808  Cg_endo   -69.8   152.4  Favored   7   8  0.10  12  0.56  molprobity     1  True   
 809   809  Cg_endo   -69.8   -32.1  Favored   7   8  0.14  11  0.27  molprobity     1  True   
 810   810  m-20      -61.4   -28.2  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 811   811  OUTLIER   -92.7   -19.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 812   812  tt0       -95.9   117.0  Favored   8   9  0.20  12  0.27  molprobity     1  True   
 813   813  tpp180   -117.4   106.4  Favored  13  11  0.16  14  0.25  molprobity     1  True   
 814   814  mt        -96.8   137.4  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 815   815  tt       -140.0   142.2  Favored  11   8  0.17  11  0.48  molprobity     1  True   
 816   816  t80      -166.5   144.2  Favored   9  12  0.35  16  0.22  molprobity     1  True   
 817   817  ?          65.0    15.3  Favored   5   5  0.11   7  0.32  molprobity     1  True   
 818   818  ?          80.5    -1.4  Favored   3   4  0.25   5  0.21  molprobity     1  True   
 819   819  mmtt     -108.9   133.1  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 820   820  OUTLIER   -75.1   121.1  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 821   821  OUTLIER   -58.3   112.8  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
 822   822  OUTLIER   -86.0   140.9  Favored   6   9  0.21  12  0.26  molprobity     1  True   
 823   823  p-10      -60.3   -31.1  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 824   824  ?         -87.1     8.1  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 825   825  mmt180   -104.0   152.7  Favored  13  11  0.14  14  0.26  molprobity     1  True   
 826   826  p        -108.0   158.8  Favored   7   7  0.24  10  0.56  molprobity     1  True   
 827   827  mt        -59.8   -49.3  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 828   828  OUTLIER   -58.5   -36.0  Favored   5   6  0.20   8  0.23  molprobity     1  True   
 829   829  m-20      -63.9   -26.6  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 830   830  OUTLIER   -83.6    -7.9  Favored   9  13  0.24  18  0.22  molprobity     1  True   
 831   831  t-20       60.3    34.2  Favored   6   8  0.23  11  0.30  molprobity     1  True   
 832   832  OUTLIER   -77.8   112.7  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 833   833  OUTLIER   -75.4   179.1  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 834   834  mtmt      -75.4   143.1  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 835   835  tt0        78.6    28.1  Allowed   6   9  0.20  12  0.26  molprobity     1  True   
 836   836  p         -83.3   148.2  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 837   837  p        -114.6   126.0  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 838   838  OUTLIER  -112.5   146.8  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 839   839  OUTLIER   -87.7   142.7  Favored   7  11  0.16  15  0.20  molprobity     1  True   
 840   840  OUTLIER  -125.7   104.2  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 841   841  m         -99.9   155.6  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 842   842  tp       -116.1   141.7  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 843   843  OUTLIER   -97.7   119.7  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 844   844  tp        -81.1   146.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 845   845  ttp180   -115.3   112.8  Favored  13  11  0.13  14  0.31  molprobity     1  True   
 846   846  ?         114.6   115.8  Favored   3   4  0.20   5  0.35  molprobity     1  True   
 847   847  ?             ?       ?  ?         3   3  0.20   2  0.59  molprobity     1  True   
 848   848  ?             ?       ?  ?         5   4  0.25   5  0.21  molprobity     ?  False  
 849   849  ptt?     -163.1    26.8  Allowed   9   8  0.22  10  0.26  molprobity     1  True   
 850   850  pp0?      -89.7   144.8  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 851   851  OUTLIER  -138.8   158.3  Favored  11   8  0.17  11  0.48  molprobity     1  True   
 852   852  OUTLIER  -127.0   134.1  Favored   9  12  0.35  16  0.22  molprobity     1  True   
 853   853  p        -104.8   134.6  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 854   854  OUTLIER  -103.1   142.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 855   855  p        -104.4   175.7  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 856   856  mt        -91.1     9.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 857   857  OUTLIER  -112.5     5.4  Favored   7   7  0.21  10  0.58  molprobity     1  True   
 858   858  ?          84.7     6.2  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 859   859  OUTLIER   -92.1   124.7  Favored  13   9  0.22  11  0.22  molprobity     1  True   
 860   860  m         -99.8   122.7  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 861   861  mm       -117.4   149.4  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 862   862  p        -119.7   138.1  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 863   863  OUTLIER  -143.8   173.1  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 864   864  mt-10    -132.1   140.1  Favored   6   9  0.19  12  0.27  molprobity     1  True   
 865   865  m        -151.5  -178.8  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
 866   866  mt-10    -125.3   163.7  Favored   6   9  0.20  13  0.55  molprobity     1  True   
 867   867  Cg_endo   -69.8   -29.6  Favored   7   8  0.15  11  0.28  molprobity     1  True   
 868   868  OUTLIER   -82.4    -1.5  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 869   869  m-20      -78.5   139.8  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 870   870  OUTLIER  -103.9   149.5  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 871   871  mm        -63.0   -36.3  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 872   872  OUTLIER   -75.2   -28.0  Favored   6   9  0.21  12  0.26  molprobity     1  True   
 873   873  OUTLIER   -84.7   -24.6  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 874   874  t         -78.4   -27.3  Favored   9   7  0.15  10  0.46  molprobity     1  True   
 875   875  OUTLIER   -59.9   -35.2  Favored  13   9  0.22  11  0.22  molprobity     1  True   
 876   876  ?         -59.4   -37.7  Favored   5   5  0.15   7  0.24  molprobity     1  True   
 877   877  mttm      -65.4   -36.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 878   878  mm        -68.6   -40.7  Favored  11   8  0.17  11  0.48  molprobity     1  True   
 879   879  tt0       -69.4   -28.3  Favored   8   9  0.21  12  0.27  molprobity     1  True   
 880   880  t70       -79.5    -9.6  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 881   881  tttt     -109.7   -39.0  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 882   882  mm-40    -123.1   -35.0  Favored   6   9  0.19  12  0.31  molprobity     1  True   
 883   883  ?          86.7    21.5  Favored   3   4  0.25   5  0.23  molprobity     1  True   
 884   884  mm        -69.6   127.1  Favored  11   8  0.15  12  0.68  molprobity     1  True   
 885   885  Cg_endo   -69.8   122.6  Favored   7   8  0.11  12  0.56  molprobity     1  True   
 886   886  Cg_endo   -69.8    -6.9  Favored   7   8  0.14  11  0.27  molprobity     1  True   
 887   887  OUTLIER   -74.9   -26.1  Favored   4   8  0.14  11  0.24  molprobity     1  True   
 888   888  mm-40    -113.9    -3.9  Favored   8   9  0.20  12  0.26  molprobity     1  True   
 889   889  tt0       -95.0   129.6  Favored   8   9  0.21  12  0.27  molprobity     1  True   
 890   890  OUTLIER  -132.6   133.1  Favored  13  11  0.17  14  0.26  molprobity     1  True   
 891   891  pt?      -127.8   144.0  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 892   892  OUTLIER  -130.5   158.5  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 893   893  t80      -161.9   132.9  Favored   9  12  0.34  16  0.22  molprobity     1  True   
 894   894  ?          64.0    21.7  Favored   5   5  0.12   7  0.33  molprobity     1  True   
 895   895  ?          79.8    -1.6  Favored   3   4  0.24   5  0.22  molprobity     1  True   
 896   896  mmtt     -113.3   136.7  Favored  13   9  0.21  11  0.22  molprobity     1  True   
 897   897  pt20      -76.7   124.4  Favored   8   9  0.23  12  0.26  molprobity     1  True   
 898   898  mt        -69.8   122.2  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 899   899  mt-10     -87.8   144.2  Favored   6   9  0.22  12  0.26  molprobity     1  True   
 900   900  OUTLIER   -61.2   -22.2  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 901   901  ?         -91.9     8.7  Favored   3   4  0.24   5  0.23  molprobity     1  True   
 902   902  OUTLIER  -104.6   148.6  Favored  13  11  0.15  14  0.27  molprobity     1  True   
 903   903  OUTLIER  -105.7   162.0  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 904   904  OUTLIER   -59.4   -51.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 905   905  OUTLIER   -62.8   -32.7  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 906   906  t70       -63.4   -27.5  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 907   907  OUTLIER   -92.8     3.4  Favored   9  13  0.22  18  0.22  molprobity     1  True   
 908   908  t30        55.9    37.0  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 909   909  mm        -71.0    95.8  Allowed  11   8  0.16  11  0.46  molprobity     1  True   
 910   910  OUTLIER   -73.7   179.3  Favored   8   9  0.20  12  0.25  molprobity     1  True   
 911   911  OUTLIER   -76.2   143.9  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 912   912  OUTLIER    80.1    27.8  Allowed   6   9  0.20  12  0.26  molprobity     1  True   
 913   913  p         -86.4   139.5  Favored   5   6  0.20   8  0.24  molprobity     1  True   
 914   914  t        -112.4   126.1  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 915   915  OUTLIER  -110.7   146.6  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 916   916  m-70      -88.0   143.3  Favored   7  11  0.14  15  0.20  molprobity     1  True   
 917   917  OUTLIER  -118.7   130.5  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 918   918  p         -88.0   159.5  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 919   919  OUTLIER  -115.1   158.4  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 920   920  OUTLIER  -112.7   117.6  Favored  13  11  0.16  14  0.24  molprobity     1  True   
 921   921  mt       -100.9   142.0  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 922   922  OUTLIER  -116.2   109.8  Favored  13  11  0.14  14  0.30  molprobity     1  True   
 923   923  ?         118.1   108.3  Favored   3   4  0.20   5  0.37  molprobity     1  True   
 924   924  ?             ?       ?  ?         3   3  0.20   2  0.60  molprobity     1  True   
 925   925  ?             ?       ?  ?         5   4  0.24   5  0.21  molprobity     ?  False  
 926   926  mtt       -93.0    54.9  Favored   9   8  0.21  10  0.25  molprobity     1  True   
 927   927  pt20      -94.6   139.4  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 928   928  pt       -124.4   167.5  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 929   929  OUTLIER  -125.9   135.6  Favored   9  12  0.34  16  0.23  molprobity     1  True   
 930   930  t        -116.6   125.0  Favored   9   7  0.14  10  0.46  molprobity     1  True   
 931   931  ttpp     -102.8   141.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 932   932  OUTLIER  -115.1   162.5  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 933   933  pp        -65.5   -11.4  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 934   934  OUTLIER   -89.5    14.7  Favored   7   7  0.19  10  0.58  molprobity     1  True   
 935   935  ?          64.4    13.0  Favored   3   4  0.24   5  0.21  molprobity     1  True   
 936   936  OUTLIER   -90.3   131.1  Favored  13   9  0.21  11  0.21  molprobity     1  True   
 937   937  OUTLIER  -104.2   120.1  Favored   7   7  0.23  10  0.56  molprobity     1  True   
 938   938  mp       -117.5   148.0  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 939   939  t        -119.9   137.4  Favored   7   7  0.24  10  0.56  molprobity     1  True   
 940   940  OUTLIER  -143.1   174.0  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 941   941  tt0      -130.6   139.6  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 942   942  m        -151.3   179.8  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
 943   943  mt-10    -125.0   163.2  Favored   6   9  0.20  13  0.55  molprobity     1  True   
 944   944  Cg_endo   -69.8   -29.3  Favored   7   8  0.14  11  0.28  molprobity     1  True   
 945   945  OUTLIER   -84.7    -0.2  Favored   5   6  0.18   8  0.23  molprobity     1  True   
 946   946  t0        -89.0   137.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 947   947  p        -104.8   149.2  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 948   948  tp        -59.9   -26.1  Favored  11   8  0.16  11  0.47  molprobity     1  True   
 949   949  tt0       -77.8   -33.0  Favored   6   9  0.20  12  0.27  molprobity     1  True   
 950   950  OUTLIER   -76.2   -37.9  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 951   951  t         -65.0   -26.1  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 952   952  OUTLIER   -56.5   -40.1  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 953   953  ?         -59.9   -40.9  Favored   5   5  0.18   7  0.24  molprobity     1  True   
 954   954  tptt      -63.3   -41.1  Favored  13   9  0.21  11  0.20  molprobity     1  True   
 955   955  mm        -65.0   -40.7  Favored  11   8  0.16  11  0.48  molprobity     1  True   
 956   956  mt-30     -67.8   -28.5  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 957   957  t70       -78.7   -10.0  Favored   4   8  0.17  11  0.23  molprobity     1  True   
 958   958  OUTLIER  -108.8   -39.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 959   959  mt-10    -124.1   -35.0  Favored   6   9  0.17  12  0.31  molprobity     1  True   
 960   960  ?          85.1    19.8  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 961   961  mm       -100.4   104.2  Favored  11   8  0.15  12  0.68  molprobity     1  True   
 962   962  Cg_endo   -69.8   135.8  Favored   7   8  0.12  12  0.56  molprobity     1  True   
 963   963  Cg_endo   -69.8    49.8  Allowed   7   8  0.14  11  0.29  molprobity     1  True   
 964   964  m-20      -88.4   -27.3  Favored   4   8  0.15  11  0.24  molprobity     1  True   
 965   965  mt-30    -111.7   -12.4  Favored   8   9  0.22  12  0.26  molprobity     1  True   
 966   966  OUTLIER   -99.1   139.9  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 967   967  OUTLIER  -130.6   131.4  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 968   968  mm?       -96.3   134.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 969   969  mp       -132.2   143.3  Favored  11   8  0.17  11  0.47  molprobity     1  True   
 970   970  t80      -164.2   135.7  Favored   9  12  0.34  16  0.23  molprobity     1  True   
 971   971  ?          64.6    21.1  Favored   5   5  0.10   7  0.33  molprobity     1  True   
 972   972  ?          80.8    -2.3  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 973   973  OUTLIER  -106.1   133.0  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 974   974  OUTLIER   -76.3   122.6  Favored   8   9  0.22  12  0.27  molprobity     1  True   
 975   975  OUTLIER   -58.9   110.2  Allowed  11   8  0.18  11  0.25  molprobity     1  True   
 976   976  OUTLIER   -87.9   141.6  Favored   6   9  0.20  12  0.26  molprobity     1  True   
 977   977  OUTLIER   -57.5   -27.5  Favored   4   8  0.13  11  0.30  molprobity     1  True   
 978   978  ?         -87.4     9.8  Favored   3   4  0.23   5  0.23  molprobity     1  True   
 979   979  OUTLIER  -105.4   153.4  Favored  13  11  0.14  14  0.25  molprobity     1  True   
 980   980  p        -115.6   162.6  Favored   7   7  0.24  10  0.55  molprobity     1  True   
 981   981  OUTLIER   -55.4   -55.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 982   982  p         -56.9   -34.2  Favored   5   6  0.18   8  0.23  molprobity     1  True   
 983   983  t70       -66.5   -30.8  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 984   984  OUTLIER   -80.1   -14.5  Favored   9  13  0.25  18  0.23  molprobity     1  True   
 985   985  t-20       64.2    33.8  Favored   6   8  0.22  11  0.30  molprobity     1  True   
 986   986  mm        -73.8   102.4  Allowed  11   8  0.18  11  0.46  molprobity     1  True   
 987   987  OUTLIER   -77.5  -178.2  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 988   988  pttt      -73.6   143.6  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 989   989  tp10       77.1    29.6  Allowed   6   9  0.19  12  0.26  molprobity     1  True   
 990   990  OUTLIER   -88.5   142.8  Favored   5   6  0.18   8  0.24  molprobity     1  True   
 991   991  t        -123.5   119.7  Favored   7   7  0.23  10  0.55  molprobity     1  True   
 992   992  OUTLIER  -111.0   156.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 993   993  t60      -101.5   143.2  Favored   7  11  0.15  15  0.21  molprobity     1  True   
 994   994  OUTLIER  -120.6   135.9  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 995   995  t         -97.4   153.9  Favored   9   7  0.18  10  0.45  molprobity     1  True   
 996   996  tp       -114.4   152.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 997   997  OUTLIER  -101.2   121.0  Favored  13  11  0.17  14  0.26  molprobity     1  True   
 998   998  tp        -91.2   142.5  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 999   999  OUTLIER  -109.9   111.4  Favored  13  11  0.14  14  0.29  molprobity     1  True   
1000  1000  ?         116.2   112.2  Favored   3   4  0.21   5  0.36  molprobity     1  True   
1001  1001  ?             ?       ?  ?         3   3  0.19   2  0.61  molprobity     1  True   
1002  1002  ?             ?       ?  ?         5   4  0.21   5  0.22  molprobity     ?  False  
1003  1003  mtm       -88.8   120.5  Favored   9   8  0.21  10  0.25  molprobity     1  True   
1004  1004  OUTLIER   -92.8   131.2  Favored   8   9  0.23  12  0.26  molprobity     1  True   
1005  1005  OUTLIER  -126.8   157.5  Favored  11   8  0.17  11  0.48  molprobity     1  True   
1006  1006  OUTLIER  -125.4   137.8  Favored   9  12  0.33  16  0.22  molprobity     1  True   
1007  1007  t        -117.3   130.9  Favored   9   7  0.15  10  0.45  molprobity     1  True   
1008  1008  ttpt     -105.2   142.1  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1009  1009  t        -115.8   174.2  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1010  1010  OUTLIER   -81.5     2.6  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1011  1011  OUTLIER  -105.2    21.6  Favored   7   7  0.19  10  0.59  molprobity     1  True   
1012  1012  ?          62.0    14.4  Favored   3   4  0.24   5  0.22  molprobity     1  True   
1013  1013  tttt     -101.2   143.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
1014  1014  OUTLIER  -123.2   130.9  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1015  1015  mt       -118.0   144.0  Favored  11   8  0.16  11  0.48  molprobity     1  True   
1016  1016  OUTLIER  -111.8   137.7  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1017  1017  OUTLIER  -144.5   174.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1018  1018  pt-20    -129.8   138.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1019  1019  OUTLIER  -149.7   177.7  Allowed   9   7  0.15  10  0.46  molprobity     1  True   
1020  1020  OUTLIER  -123.3   164.5  Favored   6   9  0.19  13  0.55  molprobity     1  True   
1021  1021  Cg_endo   -69.7   -30.5  Favored   7   8  0.14  11  0.27  molprobity     1  True   
1022  1022  OUTLIER   -81.0     1.0  Favored   5   6  0.20   8  0.23  molprobity     1  True   
1023  1023  OUTLIER   -80.8   133.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1024  1024  t        -103.9   157.3  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1025  1025  tp        -49.4   -35.6  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1026  1026  tp10      -64.1   -47.6  Favored   6   9  0.19  12  0.27  molprobity     1  True   
1027  1027  m-80      -66.3   -25.0  Favored   6   8  0.21  11  0.29  molprobity     1  True   
1028  1028  t         -76.2   -52.6  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1029  1029  OUTLIER   -69.3   -37.0  Favored  13   9  0.22  11  0.20  molprobity     1  True   
1030  1030  ?         -58.8   -36.9  Favored   5   5  0.16   7  0.24  molprobity     1  True   
1031  1031  mtpp      -66.7   -33.6  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1032  1032  mt        -66.7   -37.5  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1033  1033  tt0       -67.2   -30.8  Favored   8   9  0.23  12  0.26  molprobity     1  True   
1034  1034  OUTLIER   -78.1    -9.7  Favored   4   8  0.17  11  0.24  molprobity     1  True   
1035  1035  OUTLIER  -108.3   -39.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1036  1036  OUTLIER  -124.7   -34.7  Favored   6   9  0.17  12  0.31  molprobity     1  True   
1037  1037  ?          89.3    22.7  Favored   3   4  0.24   5  0.23  molprobity     1  True   
1038  1038  mt        -68.7   129.6  Favored  11   8  0.14  12  0.68  molprobity     1  True   
1039  1039  Cg_endo   -69.7   127.2  Favored   7   8  0.11  12  0.56  molprobity     1  True   
1040  1040  Cg_endo   -69.7    -9.0  Favored   7   8  0.16  11  0.28  molprobity     1  True   
1041  1041  m-20      -75.8   -23.1  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1042  1042  mp0      -110.7     0.4  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1043  1043  tt0       -97.8   123.5  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1044  1044  ttm180   -125.5   112.3  Favored  13  11  0.16  14  0.27  molprobity     1  True   
1045  1045  OUTLIER  -100.6   135.0  Favored  11   8  0.20  11  0.25  molprobity     1  True   
1046  1046  mm       -127.8   138.3  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1047  1047  t80      -153.2   133.1  Favored   9  12  0.33  16  0.22  molprobity     1  True   
1048  1048  ?          66.5    15.2  Favored   5   5  0.10   7  0.33  molprobity     1  True   
1049  1049  ?          80.9     0.9  Favored   3   4  0.23   5  0.21  molprobity     1  True   
1050  1050  mtpp     -114.2   137.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1051  1051  pt20      -78.3   131.1  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1052  1052  OUTLIER   -81.5   128.7  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1053  1053  tp10      -87.9   143.8  Favored   6   9  0.19  12  0.26  molprobity     1  True   
1054  1054  p-10      -58.0   -22.5  Favored   4   8  0.12  11  0.29  molprobity     1  True   
1055  1055  ?         -92.0    11.1  Favored   3   4  0.22   5  0.21  molprobity     1  True   
1056  1056  mmm180   -104.2   156.4  Favored  13  11  0.16  14  0.25  molprobity     1  True   
1057  1057  OUTLIER  -113.6   163.0  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1058  1058  tp        -60.3   -50.6  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1059  1059  OUTLIER   -51.3   -42.5  Favored   5   6  0.22   8  0.24  molprobity     1  True   
1060  1060  OUTLIER   -60.9   -31.8  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1061  1061  OUTLIER   -71.8   -15.6  Favored   9  13  0.25  18  0.22  molprobity     1  True   
1062  1062  OUTLIER    57.2    34.5  Favored   6   8  0.23  11  0.28  molprobity     1  True   
1063  1063  tt        -76.5   109.1  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1064  1064  OUTLIER   -75.4   178.9  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1065  1065  OUTLIER   -75.5   143.2  Favored  13   9  0.21  11  0.21  molprobity     1  True   
1066  1066  OUTLIER    76.7    24.8  Allowed   6   9  0.21  12  0.26  molprobity     1  True   
1067  1067  OUTLIER   -82.4   151.0  Favored   5   6  0.19   8  0.24  molprobity     1  True   
1068  1068  p        -113.8   126.8  Favored   7   7  0.25  10  0.56  molprobity     1  True   
1069  1069  mt       -113.2   149.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1070  1070  m80       -92.6   134.6  Favored   7  11  0.15  15  0.20  molprobity     1  True   
1071  1071  OUTLIER  -112.6   136.2  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1072  1072  p         -97.4   155.7  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1073  1073  OUTLIER  -114.0   160.3  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1074  1074  mtm-85   -108.8   119.1  Favored  13  11  0.16  14  0.24  molprobity     1  True   
1075  1075  OUTLIER   -91.8   138.7  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1076  1076  mtt180   -113.2   110.2  Favored  13  11  0.13  14  0.30  molprobity     1  True   
1077  1077  ?         101.6   115.8  Favored   3   4  0.21   5  0.36  molprobity     1  True   
1078  1078  ?             ?       ?  ?         3   3  0.21   2  0.60  molprobity     1  True   
1079  1079  ?             ?       ?  ?         5   4  0.26   5  0.22  molprobity     ?  False  
1080  1080  mpp?     -140.8   -68.5  Allowed   9   8  0.22  10  0.24  molprobity     1  True   
1081  1081  mt-30    -101.5   133.0  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1082  1082  pt       -127.2   167.1  Favored  11   8  0.17  11  0.48  molprobity     1  True   
1083  1083  m-85     -125.9   137.2  Favored   9  12  0.32  16  0.23  molprobity     1  True   
1084  1084  m        -119.0   127.2  Favored   9   7  0.16  10  0.46  molprobity     1  True   
1085  1085  OUTLIER  -101.6   142.5  Favored  13   9  0.21  11  0.21  molprobity     1  True   
1086  1086  OUTLIER  -109.3   177.4  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1087  1087  OUTLIER   -86.0     5.8  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1088  1088  OUTLIER  -110.2    23.0  Favored   7   7  0.20  10  0.59  molprobity     1  True   
1089  1089  ?          65.1    14.4  Favored   3   4  0.21   5  0.22  molprobity     1  True   
1090  1090  tttp     -101.8   148.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1091  1091  t        -132.3   135.5  Favored   7   7  0.22  10  0.56  molprobity     1  True   
1092  1092  mm       -121.6   153.3  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1093  1093  t        -115.3   139.7  Favored   7   7  0.24  10  0.56  molprobity     1  True   
1094  1094  tp       -145.3   173.9  Favored  11   8  0.17  11  0.24  molprobity     1  True   
1095  1095  pp20?    -131.0   139.1  Favored   6   9  0.19  12  0.26  molprobity     1  True   
1096  1096  m        -154.8  -176.1  Allowed   9   7  0.14  10  0.46  molprobity     1  True   
1097  1097  OUTLIER  -118.6   161.5  Favored   6   9  0.18  13  0.55  molprobity     1  True   
1098  1098  Cg_endo   -69.7   -29.1  Favored   7   8  0.13  11  0.27  molprobity     1  True   
1099  1099  t         -87.0     5.7  Favored   5   6  0.19   8  0.23  molprobity     1  True   
1100  1100  t70       -90.7   145.1  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1101  1101  t        -104.7   155.5  Favored   7   7  0.22  10  0.55  molprobity     1  True   
1102  1102  mm        -62.1   -17.3  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1103  1103  tt0       -77.6   -34.5  Favored   6   9  0.21  12  0.26  molprobity     1  True   
1104  1104  t30       -75.2   -46.3  Favored   6   8  0.22  11  0.30  molprobity     1  True   
1105  1105  p         -58.0   -31.4  Favored   9   7  0.15  10  0.45  molprobity     1  True   
1106  1106  OUTLIER   -59.3   -39.4  Favored  13   9  0.21  11  0.21  molprobity     1  True   
1107  1107  ?         -59.7   -36.6  Favored   5   5  0.16   7  0.24  molprobity     1  True   
1108  1108  ttmm      -65.2   -37.2  Favored  13   9  0.22  11  0.20  molprobity     1  True   
1109  1109  OUTLIER   -67.5   -39.1  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1110  1110  tt0       -66.7   -37.3  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1111  1111  t70       -71.8    -9.3  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1112  1112  tttp     -105.3   -44.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1113  1113  mp0      -122.9   -34.0  Favored   6   9  0.18  12  0.31  molprobity     1  True   
1114  1114  ?          84.4    24.0  Favored   3   4  0.24   5  0.23  molprobity     1  True   
1115  1115  mt        -65.8   133.5  Favored  11   8  0.15  12  0.68  molprobity     1  True   
1116  1116  Cg_endo   -69.7   112.3  Favored   7   8  0.11  12  0.56  molprobity     1  True   
1117  1117  Cg_endo   -69.8    -8.1  Favored   7   8  0.14  11  0.28  molprobity     1  True   
1118  1118  OUTLIER   -66.7   -19.1  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1119  1119  OUTLIER  -119.8     9.5  Favored   8   9  0.22  12  0.27  molprobity     1  True   
1120  1120  mm-40     -97.8   126.3  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1121  1121  mtm180   -129.6   126.5  Favored  13  11  0.17  14  0.26  molprobity     1  True   
1122  1122  OUTLIER  -108.5   137.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1123  1123  mm       -129.9   135.1  Favored  11   8  0.18  11  0.47  molprobity     1  True   
1124  1124  t80      -156.2   135.9  Favored   9  12  0.33  16  0.22  molprobity     1  True   
1125  1125  ?          67.5    15.4  Favored   5   5  0.11   7  0.32  molprobity     1  True   
1126  1126  ?          77.1     0.7  Favored   3   4  0.23   5  0.22  molprobity     1  True   
1127  1127  OUTLIER  -111.8   133.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1128  1128  OUTLIER   -70.3   119.1  Favored   8   9  0.22  12  0.27  molprobity     1  True   
1129  1129  tt        -74.3   127.7  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1130  1130  mt-10     -88.0   143.2  Favored   6   9  0.21  12  0.26  molprobity     1  True   
1131  1131  m-20      -63.0   -22.2  Favored   4   8  0.12  11  0.29  molprobity     1  True   
1132  1132  ?         -88.8     7.8  Favored   3   4  0.22   5  0.22  molprobity     1  True   
1133  1133  mmp_?    -105.5   162.8  Favored  13  11  0.14  14  0.24  molprobity     1  True   
1134  1134  t        -114.8   161.8  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1135  1135  mt        -56.6   -49.9  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1136  1136  t         -49.9   -37.1  Favored   5   6  0.20   8  0.24  molprobity     1  True   
1137  1137  OUTLIER   -64.2   -38.1  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1138  1138  OUTLIER   -89.6     9.1  Favored   9  13  0.24  18  0.22  molprobity     1  True   
1139  1139  OUTLIER    54.2    39.3  Favored   6   8  0.22  11  0.29  molprobity     1  True   
1140  1140  mt        -85.3   117.1  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1141  1141  mt-30    -136.5  -170.9  Favored   8   9  0.22  12  0.27  molprobity     1  True   
1142  1142  tptm      -54.4   145.9  Favored  13   9  0.21  11  0.21  molprobity     1  True   
1143  1143  tt0        76.4    16.8  Favored   6   9  0.19  12  0.27  molprobity     1  True   
1144  1144  t         -91.3   139.3  Favored   5   6  0.18   8  0.24  molprobity     1  True   
1145  1145  m        -121.7   123.2  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1146  1146  tp       -111.7   148.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1147  1147  m80       -89.2   141.8  Favored   7  11  0.16  15  0.20  molprobity     1  True   
1148  1148  mm?      -121.0   130.5  Favored  11   8  0.19  11  0.23  molprobity     1  True   
1149  1149  p         -95.3   152.2  Favored   9   7  0.17  10  0.45  molprobity     1  True   
1150  1150  mp       -115.2   157.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1151  1151  ttp-105  -110.6   117.0  Favored  13  11  0.16  14  0.25  molprobity     1  True   
1152  1152  tp        -80.3   152.4  Favored  11   8  0.18  11  0.25  molprobity     1  True   
1153  1153  mtp180   -114.1   106.9  Favored  13  11  0.13  14  0.30  molprobity     1  True   
1154  1154  ?         102.4   118.7  Favored   3   4  0.19   5  0.35  molprobity     1  True   
1155  1155  ?             ?       ?  ?         3   3  0.22   2  0.60  molprobity     1  True   
1156  1156  ?             ?       ?  ?         5   4  0.23   5  0.23  molprobity     ?  False  
1157  1157  OUTLIER    53.5    41.7  Favored   9   8  0.23  10  0.25  molprobity     1  True   
1158  1158  OUTLIER   -82.9   143.2  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1159  1159  pt       -121.8   162.2  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1160  1160  OUTLIER  -132.8   127.5  Favored   9  12  0.33  16  0.23  molprobity     1  True   
1161  1161  t        -104.8   134.4  Favored   9   7  0.15  10  0.45  molprobity     1  True   
1162  1162  ttpm?    -105.7   144.1  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1163  1163  OUTLIER  -105.8  -168.8  Allowed   7   7  0.22  10  0.56  molprobity     1  True   
1164  1164  tm?       -91.2   -22.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1165  1165  p         -84.2     5.4  Favored   7   7  0.20  10  0.59  molprobity     1  True   
1166  1166  ?          80.1    20.4  Favored   3   4  0.23   5  0.23  molprobity     1  True   
1167  1167  OUTLIER   -92.1   121.0  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1168  1168  p         -99.9   123.5  Favored   7   7  0.21  10  0.56  molprobity     1  True   
1169  1169  mt       -121.2   145.4  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1170  1170  p        -118.0   141.8  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1171  1171  mt       -143.8   174.6  Favored  11   8  0.18  11  0.25  molprobity     1  True   
1172  1172  OUTLIER  -124.3   135.4  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1173  1173  OUTLIER  -148.9   177.8  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
1174  1174  mt-10    -126.9   164.8  Favored   6   9  0.18  13  0.55  molprobity     1  True   
1175  1175  Cg_endo   -69.8   -30.9  Favored   7   8  0.14  11  0.27  molprobity     1  True   
1176  1176  m         -83.1    -2.4  Favored   5   6  0.20   8  0.23  molprobity     1  True   
1177  1177  OUTLIER   -82.8   131.7  Favored   4   8  0.15  11  0.25  molprobity     1  True   
1178  1178  t        -104.9   151.3  Favored   7   7  0.22  10  0.55  molprobity     1  True   
1179  1179  mp        -55.4   -32.7  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1180  1180  OUTLIER   -67.3   -44.6  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1181  1181  t30       -72.5   -45.0  Favored   6   8  0.21  11  0.29  molprobity     1  True   
1182  1182  t         -58.2   -34.8  Favored   9   7  0.16  10  0.46  molprobity     1  True   
1183  1183  tttt      -61.9   -40.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1184  1184  ?         -58.0   -37.1  Favored   5   5  0.16   7  0.24  molprobity     1  True   
1185  1185  tttp      -64.6   -36.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1186  1186  mt        -68.4   -42.0  Favored  11   8  0.17  11  0.48  molprobity     1  True   
1187  1187  mt-30     -67.7   -28.4  Favored   8   9  0.23  12  0.26  molprobity     1  True   
1188  1188  t0        -78.5   -10.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1189  1189  OUTLIER  -109.0   -37.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1190  1190  OUTLIER  -124.5   -35.2  Favored   6   9  0.19  12  0.31  molprobity     1  True   
1191  1191  ?          82.3    24.4  Favored   3   4  0.22   5  0.23  molprobity     1  True   
1192  1192  pt        -91.3   109.0  Favored  11   8  0.14  12  0.68  molprobity     1  True   
1193  1193  Cg_endo   -69.9   121.2  Favored   7   8  0.11  12  0.56  molprobity     1  True   
1194  1194  Cg_endo   -69.7    37.2  Allowed   7   8  0.14  11  0.27  molprobity     1  True   
1195  1195  m-20      -80.1   -24.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1196  1196  OUTLIER  -113.1    -8.1  Favored   8   9  0.21  12  0.27  molprobity     1  True   
1197  1197  mt-30     -87.5   133.0  Favored   8   9  0.22  12  0.27  molprobity     1  True   
1198  1198  tpm_?    -125.9   119.0  Favored  13  11  0.16  14  0.24  molprobity     1  True   
1199  1199  mm?      -102.7   137.1  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1200  1200  mt       -130.2   140.9  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1201  1201  t80      -158.4   135.3  Favored   9  12  0.34  16  0.22  molprobity     1  True   
1202  1202  ?          64.2    18.5  Favored   5   5  0.11   7  0.33  molprobity     1  True   
1203  1203  ?          77.5    -0.2  Favored   3   4  0.23   5  0.21  molprobity     1  True   
1204  1204  OUTLIER  -109.4   131.6  Favored  13   9  0.22  11  0.20  molprobity     1  True   
1205  1205  mt-30     -68.5   117.4  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1206  1206  OUTLIER   -69.2   122.6  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1207  1207  OUTLIER   -87.7   142.8  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1208  1208  m-20      -65.7   -22.1  Favored   4   8  0.13  11  0.30  molprobity     1  True   
1209  1209  ?         -90.5     6.4  Favored   3   4  0.24   5  0.22  molprobity     1  True   
1210  1210  mmp_?     -97.2   155.2  Favored  13  11  0.15  14  0.25  molprobity     1  True   
1211  1211  OUTLIER  -101.5   154.9  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1212  1212  mt        -57.6   -48.9  Favored  11   8  0.20  11  0.24  molprobity     1  True   
1213  1213  t         -60.0   -32.2  Favored   5   6  0.22   8  0.23  molprobity     1  True   
1214  1214  t70       -66.2   -29.1  Favored   4   8  0.17  11  0.24  molprobity     1  True   
1215  1215  OUTLIER   -87.0    -4.4  Favored   9  13  0.26  18  0.22  molprobity     1  True   
1216  1216  OUTLIER    61.1    34.8  Favored   6   8  0.21  11  0.29  molprobity     1  True   
1217  1217  mt        -72.0    97.7  Allowed  11   8  0.17  11  0.47  molprobity     1  True   
1218  1218  OUTLIER   -85.3  -173.3  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1219  1219  OUTLIER   -75.3   145.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1220  1220  tp10       76.4    26.7  Allowed   6   9  0.19  12  0.26  molprobity     1  True   
1221  1221  OUTLIER   -88.7   139.4  Favored   5   6  0.19   8  0.24  molprobity     1  True   
1222  1222  t        -118.3   122.8  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1223  1223  mp       -109.8   150.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1224  1224  m80       -87.5   140.5  Favored   7  11  0.14  15  0.19  molprobity     1  True   
1225  1225  OUTLIER  -116.9   135.6  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1226  1226  t        -120.7   147.9  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1227  1227  mt       -116.1   149.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1228  1228  tpt180   -109.8   115.2  Favored  13  11  0.17  14  0.27  molprobity     1  True   
1229  1229  OUTLIER   -82.5   153.1  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1230  1230  mtm-85   -114.3   110.7  Favored  13  11  0.13  14  0.30  molprobity     1  True   
1231  1231  ?         121.1   110.5  Favored   3   4  0.21   5  0.36  molprobity     1  True   
1232  1232  ?             ?       ?  ?         3   3  0.23   2  0.61  molprobity     1  True   
1233  1233  ?             ?       ?  ?         5   4  0.24   5  0.21  molprobity     ?  False  
1234  1234  OUTLIER    51.9    84.2  OUTLIER   9   8  0.22  10  0.25  molprobity     1  True   
1235  1235  OUTLIER   -91.3   131.4  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1236  1236  mm       -120.0   162.3  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1237  1237  OUTLIER  -126.4   133.9  Favored   9  12  0.34  16  0.21  molprobity     1  True   
1238  1238  t        -106.0   131.8  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1239  1239  OUTLIER  -109.0   131.1  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1240  1240  OUTLIER  -103.4   172.8  Favored   7   7  0.22  10  0.56  molprobity     1  True   
1241  1241  OUTLIER   -92.3    12.4  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1242  1242  OUTLIER  -113.0     7.3  Favored   7   7  0.20  10  0.58  molprobity     1  True   
1243  1243  ?          84.7     4.7  Favored   3   4  0.22   5  0.21  molprobity     1  True   
1244  1244  mmtt     -101.3   144.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1245  1245  t        -125.4   131.9  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1246  1246  mt       -118.8   142.7  Favored  11   8  0.16  11  0.48  molprobity     1  True   
1247  1247  t        -100.3   132.3  Favored   7   7  0.24  10  0.56  molprobity     1  True   
1248  1248  OUTLIER  -139.0   164.9  Favored  11   8  0.17  11  0.25  molprobity     1  True   
1249  1249  OUTLIER  -128.9   137.1  Favored   6   9  0.19  12  0.26  molprobity     1  True   
1250  1250  m        -151.7  -177.9  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
1251  1251  mt-10    -124.8   163.5  Favored   6   9  0.19  13  0.54  molprobity     1  True   
1252  1252  Cg_endo   -69.7   -29.4  Favored   7   8  0.13  11  0.27  molprobity     1  True   
1253  1253  OUTLIER   -86.5     1.5  Favored   5   6  0.19   8  0.24  molprobity     1  True   
1254  1254  t70       -91.2   151.8  Favored   4   8  0.15  11  0.25  molprobity     1  True   
1255  1255  p        -104.0   158.0  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1256  1256  pt        -67.8   -26.0  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1257  1257  tt0       -74.3   -23.6  Favored   6   9  0.19  12  0.27  molprobity     1  True   
1258  1258  t-20      -77.5   -24.1  Favored   6   8  0.22  11  0.28  molprobity     1  True   
1259  1259  t         -77.2   -33.9  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1260  1260  pttt      -65.2   -36.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1261  1261  ?         -59.0   -37.4  Favored   5   5  0.15   7  0.25  molprobity     1  True   
1262  1262  OUTLIER   -66.9   -34.0  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1263  1263  mt        -66.6   -40.7  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1264  1264  tt0       -64.3   -36.1  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1265  1265  t0        -72.9    -9.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1266  1266  OUTLIER  -105.4   -44.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1267  1267  OUTLIER  -124.1   -34.0  Favored   6   9  0.19  12  0.31  molprobity     1  True   
1268  1268  ?          94.8    24.0  Favored   3   4  0.22   5  0.22  molprobity     1  True   
1269  1269  mt        -62.0   125.5  Favored  11   8  0.15  12  0.68  molprobity     1  True   
1270  1270  Cg_endo   -69.7   112.1  Favored   7   8  0.11  12  0.56  molprobity     1  True   
1271  1271  Cg_endo   -69.8    -6.9  Favored   7   8  0.15  11  0.27  molprobity     1  True   
1272  1272  OUTLIER   -68.3   -20.1  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1273  1273  OUTLIER  -119.1     9.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1274  1274  OUTLIER   -99.5   128.8  Favored   8   9  0.20  12  0.26  molprobity     1  True   
1275  1275  tpp180   -123.5   120.7  Favored  13  11  0.17  14  0.25  molprobity     1  True   
1276  1276  mp        -94.6   131.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1277  1277  pt       -139.9   139.4  Favored  11   8  0.17  11  0.48  molprobity     1  True   
1278  1278  OUTLIER  -151.1   141.1  Favored   9  12  0.34  16  0.22  molprobity     1  True   
1279  1279  ?          66.3    16.5  Favored   5   5  0.10   7  0.33  molprobity     1  True   
1280  1280  ?          81.7     2.2  Favored   3   4  0.25   5  0.22  molprobity     1  True   
1281  1281  OUTLIER  -114.9   138.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1282  1282  pt20      -72.7   122.7  Favored   8   9  0.20  12  0.26  molprobity     1  True   
1283  1283  OUTLIER   -86.2   137.0  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1284  1284  tp10      -86.3   135.3  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1285  1285  OUTLIER   -53.6   -37.8  Favored   4   8  0.14  11  0.30  molprobity     1  True   
1286  1286  ?         -79.0    11.0  Favored   3   4  0.22   5  0.23  molprobity     1  True   
1287  1287  ttt180    -97.1   154.1  Favored  13  11  0.15  14  0.26  molprobity     1  True   
1288  1288  t        -105.8   157.3  Favored   7   7  0.22  10  0.56  molprobity     1  True   
1289  1289  mt        -61.9   -47.7  Favored  11   8  0.20  11  0.24  molprobity     1  True   
1290  1290  p         -50.9   -42.5  Favored   5   6  0.22   8  0.24  molprobity     1  True   
1291  1291  t70       -60.7   -29.6  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1292  1292  t80       -76.1   -16.1  Favored   9  13  0.24  18  0.23  molprobity     1  True   
1293  1293  m120       64.4    35.1  Favored   6   8  0.22  11  0.29  molprobity     1  True   
1294  1294  OUTLIER   -78.7   118.2  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1295  1295  OUTLIER   -85.8  -178.2  Favored   8   9  0.22  12  0.27  molprobity     1  True   
1296  1296  pttp      -75.6   143.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1297  1297  tt0        76.9    24.1  Allowed   6   9  0.20  12  0.26  molprobity     1  True   
1298  1298  m         -84.1   148.2  Favored   5   6  0.18   8  0.24  molprobity     1  True   
1299  1299  p        -111.0   127.8  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1300  1300  OUTLIER  -111.3   153.2  Favored  11   8  0.20  11  0.24  molprobity     1  True   
1301  1301  m170      -99.1   136.7  Favored   7  11  0.15  15  0.20  molprobity     1  True   
1302  1302  mt       -114.8   135.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1303  1303  p         -89.3   156.6  Favored   9   7  0.17  10  0.45  molprobity     1  True   
1304  1304  OUTLIER  -116.5   156.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1305  1305  ptm180   -109.0   118.9  Favored  13  11  0.16  14  0.25  molprobity     1  True   
1306  1306  tp        -89.3   144.5  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1307  1307  mtp180   -109.5   113.9  Favored  13  11  0.14  14  0.29  molprobity     1  True   
1308  1308  ?         110.1   114.7  Favored   3   4  0.20   5  0.35  molprobity     1  True   
1309  1309  ?             ?       ?  ?         3   3  0.18   2  0.58  molprobity     1  True   
1310  1310  ?             ?       ?  ?         5   4  0.21   5  0.21  molprobity     ?  False  
1311  1311  mtt       -73.5   138.0  Favored   9   8  0.22  10  0.25  molprobity     1  True   
1312  1312  tt0       -95.2   123.2  Favored   8   9  0.23  12  0.26  molprobity     1  True   
1313  1313  mm       -122.8   154.2  Favored  11   8  0.17  11  0.48  molprobity     1  True   
1314  1314  OUTLIER  -118.8   144.0  Favored   9  12  0.33  16  0.22  molprobity     1  True   
1315  1315  m        -117.3   129.6  Favored   9   7  0.17  10  0.45  molprobity     1  True   
1316  1316  tttt     -103.1   147.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1317  1317  OUTLIER   -96.8   173.0  Favored   7   7  0.22  10  0.56  molprobity     1  True   
1318  1318  tp        -89.7    10.5  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1319  1319  t        -116.3     6.8  Favored   7   7  0.20  10  0.58  molprobity     1  True   
1320  1320  ?          89.7     8.9  Favored   3   4  0.25   5  0.22  molprobity     1  True   
1321  1321  mttt      -89.7   128.1  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1322  1322  OUTLIER  -105.9   120.5  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1323  1323  mt       -121.7   144.7  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1324  1324  OUTLIER  -114.8   139.6  Favored   7   7  0.24  10  0.56  molprobity     1  True   
1325  1325  OUTLIER  -140.4   169.0  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1326  1326  mp0      -124.7   135.3  Favored   6   9  0.21  12  0.27  molprobity     1  True   
1327  1327  OUTLIER  -152.1  -179.1  Allowed   9   7  0.16  10  0.45  molprobity     1  True   
1328  1328  mt-10    -122.6   163.3  Favored   6   9  0.18  13  0.55  molprobity     1  True   
1329  1329  Cg_endo   -69.7   -29.7  Favored   7   8  0.14  11  0.28  molprobity     1  True   
1330  1330  p         -86.9     2.1  Favored   5   6  0.20   8  0.24  molprobity     1  True   
1331  1331  m-20      -90.7   134.7  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1332  1332  t        -105.3   150.0  Favored   7   7  0.24  10  0.56  molprobity     1  True   
1333  1333  pt        -54.2   -35.2  Favored  11   8  0.16  11  0.48  molprobity     1  True   
1334  1334  OUTLIER   -59.7   -39.4  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1335  1335  t30       -82.9   -23.7  Favored   6   8  0.22  11  0.30  molprobity     1  True   
1336  1336  t         -74.2   -32.9  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1337  1337  pttt      -76.4   -30.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1338  1338  ?         -58.6   -35.5  Favored   5   5  0.17   7  0.23  molprobity     1  True   
1339  1339  tttt      -71.0   -28.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1340  1340  mm        -67.9   -39.0  Favored  11   8  0.15  11  0.47  molprobity     1  True   
1341  1341  OUTLIER   -67.4   -28.5  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1342  1342  m-20      -78.9    -9.9  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1343  1343  tptp     -110.1   -35.4  Favored  13   9  0.21  11  0.21  molprobity     1  True   
1344  1344  mt-10    -125.8   -35.8  Favored   6   9  0.18  12  0.31  molprobity     1  True   
1345  1345  ?          83.0    24.7  Favored   3   4  0.26   5  0.23  molprobity     1  True   
1346  1346  tp        -76.4   131.5  Favored  11   8  0.15  12  0.67  molprobity     1  True   
1347  1347  Cg_endo   -69.7   112.0  Favored   7   8  0.11  12  0.55  molprobity     1  True   
1348  1348  Cg_endo   -69.8     0.8  Favored   7   8  0.15  11  0.27  molprobity     1  True   
1349  1349  m-20      -67.2   -17.5  Favored   4   8  0.14  11  0.25  molprobity     1  True   
1350  1350  OUTLIER  -115.0     9.9  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1351  1351  mm-40    -103.3   125.9  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1352  1352  OUTLIER  -118.3   113.4  Favored  13  11  0.16  14  0.24  molprobity     1  True   
1353  1353  OUTLIER   -86.8   130.0  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1354  1354  OUTLIER  -133.5   132.4  Favored  11   8  0.17  11  0.48  molprobity     1  True   
1355  1355  m-85     -147.2   133.1  Favored   9  12  0.33  16  0.22  molprobity     1  True   
1356  1356  ?          65.2    19.9  Favored   5   5  0.11   7  0.33  molprobity     1  True   
1357  1357  ?          79.7     2.4  Favored   3   4  0.22   5  0.22  molprobity     1  True   
1358  1358  OUTLIER  -114.8   137.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1359  1359  OUTLIER   -75.5   123.4  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1360  1360  tp        -81.8   134.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1361  1361  tp10      -88.6   142.2  Favored   6   9  0.21  12  0.27  molprobity     1  True   
1362  1362  p30       -55.8   -21.8  Favored   4   8  0.13  11  0.30  molprobity     1  True   
1363  1363  ?         -93.3    13.0  Favored   3   4  0.23   5  0.22  molprobity     1  True   
1364  1364  OUTLIER  -105.3   156.2  Favored  13  11  0.15  14  0.26  molprobity     1  True   
1365  1365  OUTLIER  -113.8   162.1  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1366  1366  mp        -60.9   -50.5  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1367  1367  t         -58.1   -34.5  Favored   5   6  0.19   8  0.22  molprobity     1  True   
1368  1368  t70       -62.3   -26.2  Favored   4   8  0.17  11  0.24  molprobity     1  True   
1369  1369  OUTLIER   -89.0     1.2  Favored   9  13  0.24  18  0.22  molprobity     1  True   
1370  1370  m120       54.7    36.6  Favored   6   8  0.23  11  0.29  molprobity     1  True   
1371  1371  pt        -71.7    98.2  Allowed  11   8  0.17  11  0.47  molprobity     1  True   
1372  1372  pt20      -72.7   157.4  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1373  1373  ttpt      -56.8   142.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1374  1374  mt-10      78.3    21.6  Allowed   6   9  0.19  12  0.26  molprobity     1  True   
1375  1375  m         -84.1   146.0  Favored   5   6  0.19   8  0.23  molprobity     1  True   
1376  1376  t         -99.7   135.3  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1377  1377  mt       -120.0   143.1  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1378  1378  OUTLIER   -97.4   134.5  Favored   7  11  0.16  15  0.19  molprobity     1  True   
1379  1379  OUTLIER  -114.3   135.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1380  1380  p         -88.0   155.1  Favored   9   7  0.17  10  0.46  molprobity     1  True   
1381  1381  OUTLIER  -115.8   159.7  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1382  1382  ptt-85   -105.0   119.2  Favored  13  11  0.15  14  0.27  molprobity     1  True   
1383  1383  tp        -82.4   147.0  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1384  1384  OUTLIER  -105.7   114.0  Favored  13  11  0.13  14  0.30  molprobity     1  True   
1385  1385  ?         112.3   119.9  Favored   3   4  0.19   5  0.36  molprobity     1  True   
1386  1386  ?             ?       ?  ?         3   3  0.20   2  0.60  molprobity     1  True   
1387  1387  ?             ?       ?  ?         5   4  0.25   5  0.21  molprobity     ?  False  
1388  1388  ppp?     -163.5    30.7  Allowed   9   8  0.23  10  0.25  molprobity     1  True   
1389  1389  tt0       -86.2   140.3  Favored   8   9  0.20  12  0.27  molprobity     1  True   
1390  1390  OUTLIER  -124.1   161.2  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1391  1391  OUTLIER  -128.7   137.4  Favored   9  12  0.33  16  0.23  molprobity     1  True   
1392  1392  t        -121.0   129.7  Favored   9   7  0.15  10  0.45  molprobity     1  True   
1393  1393  tttt     -106.5   135.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1394  1394  p         -97.0   175.3  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1395  1395  OUTLIER   -81.8   -16.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1396  1396  OUTLIER   -89.7    12.4  Favored   7   7  0.21  10  0.58  molprobity     1  True   
1397  1397  ?          77.9    11.6  Favored   3   4  0.22   5  0.21  molprobity     1  True   
1398  1398  OUTLIER   -94.3   131.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1399  1399  t        -116.6   130.5  Favored   7   7  0.22  10  0.56  molprobity     1  True   
1400  1400  mt       -125.6   153.0  Favored  11   8  0.16  11  0.48  molprobity     1  True   
1401  1401  t        -111.5   137.7  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1402  1402  OUTLIER  -140.2   167.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1403  1403  pt-20    -127.7   136.7  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1404  1404  m        -151.7  -179.1  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
1405  1405  OUTLIER  -122.0   164.2  Favored   6   9  0.19  13  0.55  molprobity     1  True   
1406  1406  Cg_endo   -69.7   -29.6  Favored   7   8  0.14  11  0.28  molprobity     1  True   
1407  1407  OUTLIER   -84.0     3.5  Favored   5   6  0.19   8  0.24  molprobity     1  True   
1408  1408  OUTLIER   -87.5   135.9  Favored   4   8  0.18  11  0.23  molprobity     1  True   
1409  1409  p        -104.0   156.8  Favored   7   7  0.22  10  0.56  molprobity     1  True   
1410  1410  mm        -57.8   -37.7  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1411  1411  OUTLIER   -62.4   -39.5  Favored   6   9  0.18  12  0.26  molprobity     1  True   
1412  1412  OUTLIER   -72.0   -39.1  Favored   6   8  0.22  11  0.30  molprobity     1  True   
1413  1413  t         -64.1   -40.6  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1414  1414  OUTLIER   -49.7   -42.9  Favored  13   9  0.22  11  0.20  molprobity     1  True   
1415  1415  ?         -58.6   -38.3  Favored   5   5  0.16   7  0.25  molprobity     1  True   
1416  1416  OUTLIER   -61.7   -40.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1417  1417  mp        -68.8   -41.2  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1418  1418  tt0       -68.8   -31.2  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1419  1419  OUTLIER   -77.8    -9.4  Favored   4   8  0.16  11  0.25  molprobity     1  True   
1420  1420  OUTLIER  -107.9   -42.1  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1421  1421  mm-40    -122.1   -34.0  Favored   6   9  0.20  12  0.31  molprobity     1  True   
1422  1422  ?          84.6    19.6  Favored   3   4  0.24   5  0.22  molprobity     1  True   
1423  1423  mt        -59.6   129.6  Favored  11   8  0.14  12  0.68  molprobity     1  True   
1424  1424  Cg_endo   -69.7   112.2  Favored   7   8  0.11  12  0.56  molprobity     1  True   
1425  1425  Cg_endo   -69.8    -5.5  Favored   7   8  0.14  11  0.27  molprobity     1  True   
1426  1426  t0        -72.1   -23.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1427  1427  pt20     -119.8     4.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1428  1428  OUTLIER  -100.3   131.5  Favored   8   9  0.21  12  0.27  molprobity     1  True   
1429  1429  ptp180   -130.5   131.3  Favored  13  11  0.15  14  0.27  molprobity     1  True   
1430  1430  mt       -109.8   135.8  Favored  11   8  0.20  11  0.25  molprobity     1  True   
1431  1431  mm       -127.0   142.9  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1432  1432  t80      -164.1   133.0  Favored   9  12  0.36  16  0.20  molprobity     1  True   
1433  1433  ?          63.9    21.6  Favored   5   5  0.11   7  0.32  molprobity     1  True   
1434  1434  ?          79.6    -1.6  Favored   3   4  0.23   5  0.21  molprobity     1  True   
1435  1435  OUTLIER  -111.0   133.1  Favored  13   9  0.22  11  0.20  molprobity     1  True   
1436  1436  pm0       -71.2   119.8  Favored   8   9  0.22  12  0.27  molprobity     1  True   
1437  1437  OUTLIER   -54.8   112.1  Allowed  11   8  0.18  11  0.25  molprobity     1  True   
1438  1438  mm-40     -86.6   137.5  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1439  1439  t0        -64.6   -22.2  Favored   4   8  0.13  11  0.29  molprobity     1  True   
1440  1440  ?         -88.9     5.2  Favored   3   4  0.22   5  0.22  molprobity     1  True   
1441  1441  mmt180   -104.1   159.9  Favored  13  11  0.15  14  0.25  molprobity     1  True   
1442  1442  m        -112.6   160.0  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1443  1443  OUTLIER   -56.8   -52.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1444  1444  OUTLIER   -64.4   -28.0  Favored   5   6  0.20   8  0.24  molprobity     1  True   
1445  1445  t70       -63.0   -27.5  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1446  1446  OUTLIER   -77.7   -16.5  Favored   9  13  0.24  18  0.23  molprobity     1  True   
1447  1447  OUTLIER    66.2    33.1  Favored   6   8  0.22  11  0.29  molprobity     1  True   
1448  1448  OUTLIER   -83.0   132.5  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1449  1449  pt20      -81.9   178.8  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1450  1450  pttt      -72.5   142.0  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1451  1451  tt0        76.2    30.9  Allowed   6   9  0.20  12  0.27  molprobity     1  True   
1452  1452  t         -79.2   150.7  Favored   5   6  0.19   8  0.24  molprobity     1  True   
1453  1453  t        -114.5   123.3  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1454  1454  tt       -113.0   147.1  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1455  1455  m80       -85.4   141.2  Favored   7  11  0.14  15  0.20  molprobity     1  True   
1456  1456  OUTLIER  -121.1   125.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1457  1457  t         -99.1   152.5  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1458  1458  mt       -116.0   155.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1459  1459  tpm_?    -115.8   117.0  Favored  13  11  0.17  14  0.26  molprobity     1  True   
1460  1460  OUTLIER   -85.2   156.3  Favored  11   8  0.20  11  0.25  molprobity     1  True   
1461  1461  OUTLIER  -117.0   108.2  Favored  13  11  0.14  14  0.29  molprobity     1  True   
1462  1462  ?         120.8   110.9  Favored   3   4  0.19   5  0.37  molprobity     1  True   
1463  1463  ?             ?       ?  ?         3   3  0.21   2  0.60  molprobity     1  True   
1464  1464  ?             ?       ?  ?         5   4  0.23   5  0.21  molprobity     ?  False  
1465  1465  mtt      -109.0   108.9  Favored   9   8  0.23  10  0.26  molprobity     1  True   
1466  1466  mt-30     -83.8   143.3  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1467  1467  pt       -121.1   164.7  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1468  1468  OUTLIER  -130.4   131.7  Favored   9  12  0.34  16  0.22  molprobity     1  True   
1469  1469  t        -110.9   129.2  Favored   9   7  0.16  10  0.45  molprobity     1  True   
1470  1470  tmtt?    -104.7   143.9  Favored  13   9  0.22  11  0.22  molprobity     1  True   
1471  1471  OUTLIER  -106.9   174.3  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1472  1472  tt        -85.1    -4.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1473  1473  t        -101.5     6.6  Favored   7   7  0.20  10  0.59  molprobity     1  True   
1474  1474  ?          83.7    12.3  Favored   3   4  0.24   5  0.22  molprobity     1  True   
1475  1475  OUTLIER   -91.0   133.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1476  1476  p        -112.4   121.7  Favored   7   7  0.22  10  0.55  molprobity     1  True   
1477  1477  mm       -118.8   147.7  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1478  1478  t        -114.6   135.6  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1479  1479  mt       -140.0   168.2  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1480  1480  mt-10    -125.1   135.2  Favored   6   9  0.22  12  0.26  molprobity     1  True   
1481  1481  OUTLIER  -149.8   178.8  Allowed   9   7  0.13  10  0.46  molprobity     1  True   
1482  1482  OUTLIER  -125.0   163.6  Favored   6   9  0.18  13  0.54  molprobity     1  True   
1483  1483  Cg_endo   -69.7   -29.4  Favored   7   8  0.14  11  0.27  molprobity     1  True   
1484  1484  p         -82.4    -1.4  Favored   5   6  0.20   8  0.25  molprobity     1  True   
1485  1485  OUTLIER   -85.1   132.3  Favored   4   8  0.16  11  0.23  molprobity     1  True   
1486  1486  p        -104.5   155.2  Favored   7   7  0.23  10  0.56  molprobity     1  True   
1487  1487  mm        -67.4   -31.7  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1488  1488  tt0       -77.2   -34.5  Favored   6   9  0.18  12  0.27  molprobity     1  True   
1489  1489  t-20      -77.0   -37.1  Favored   6   8  0.21  11  0.28  molprobity     1  True   
1490  1490  t         -66.7   -26.3  Favored   9   7  0.15  10  0.45  molprobity     1  True   
1491  1491  OUTLIER   -58.7   -39.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1492  1492  ?         -58.2   -39.0  Favored   5   5  0.15   7  0.24  molprobity     1  True   
1493  1493  tttp      -68.5   -34.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
1494  1494  mm        -66.0   -39.2  Favored  11   8  0.17  11  0.48  molprobity     1  True   
1495  1495  tt0       -68.5   -28.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1496  1496  OUTLIER   -80.6    -9.8  Favored   4   8  0.16  11  0.25  molprobity     1  True   
1497  1497  tttp     -107.1   -43.6  Favored  13   9  0.21  11  0.21  molprobity     1  True   
1498  1498  tt0      -120.8   -33.2  Favored   6   9  0.17  12  0.31  molprobity     1  True   
1499  1499  ?          83.6    20.6  Favored   3   4  0.23   5  0.22  molprobity     1  True   
1500  1500  tp       -100.1   105.9  Favored  11   8  0.15  12  0.68  molprobity     1  True   
1501  1501  Cg_endo   -69.8   134.9  Favored   7   8  0.12  12  0.56  molprobity     1  True   
1502  1502  Cg_endo   -69.8    48.8  Allowed   7   8  0.17  11  0.27  molprobity     1  True   
1503  1503  OUTLIER   -82.0   -28.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
1504  1504  OUTLIER  -119.9     5.8  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1505  1505  tt0       -97.2   129.7  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1506  1506  OUTLIER  -130.0   131.5  Favored  13  11  0.16  14  0.25  molprobity     1  True   
1507  1507  mm?       -98.9   135.6  Favored  11   8  0.19  11  0.23  molprobity     1  True   
1508  1508  OUTLIER  -139.2   138.2  Favored  11   8  0.17  11  0.47  molprobity     1  True   
1509  1509  t80      -167.0   145.3  Favored   9  12  0.33  16  0.23  molprobity     1  True   
1510  1510  ?          66.6    18.4  Favored   5   5  0.12   7  0.33  molprobity     1  True   
1511  1511  ?          79.1    -2.5  Favored   3   4  0.24   5  0.22  molprobity     1  True   
1512  1512  OUTLIER  -111.5   133.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
1513  1513  pp0?      -70.7   119.6  Favored   8   9  0.22  12  0.26  molprobity     1  True   
1514  1514  tm?       -71.4   124.9  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1515  1515  tt0       -85.4   137.7  Favored   6   9  0.20  12  0.26  molprobity     1  True   
1516  1516  m-20      -59.5   -22.5  Favored   4   8  0.14  11  0.30  molprobity     1  True   
1517  1517  ?         -87.4    11.2  Favored   3   4  0.23   5  0.22  molprobity     1  True   
1518  1518  OUTLIER   -98.8   159.2  Favored  13  11  0.15  14  0.25  molprobity     1  True   
1519  1519  m        -110.0   158.9  Favored   7   7  0.22  10  0.56  molprobity     1  True   
1520  1520  mt        -57.9   -52.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
1521  1521  OUTLIER   -62.7   -33.7  Favored   5   6  0.19   8  0.23  molprobity     1  True   
1522  1522  t0        -63.6   -26.5  Favored   4   8  0.16  11  0.24  molprobity     1  True   
1523  1523  OUTLIER   -79.0   -14.6  Favored   9  13  0.25  18  0.22  molprobity     1  True   
1524  1524  OUTLIER    64.0    32.7  Favored   6   8  0.23  11  0.29  molprobity     1  True   
1525  1525  pt        -76.8   110.6  Favored  11   8  0.16  11  0.47  molprobity     1  True   
1526  1526  mt-30     -74.7   179.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
1527  1527  OUTLIER   -71.1   141.2  Favored  13   9  0.23  11  0.20  molprobity     1  True   
1528  1528  mt-10      74.5    29.9  Allowed   6   9  0.18  12  0.27  molprobity     1  True   
1529  1529  OUTLIER   -83.9   146.9  Favored   5   6  0.20   8  0.24  molprobity     1  True   
1530  1530  t        -113.6   124.8  Favored   7   7  0.23  10  0.55  molprobity     1  True   
1531  1531  OUTLIER  -113.2   151.6  Favored  11   8  0.19  11  0.25  molprobity     1  True   
1532  1532  t-160     -93.7   134.4  Favored   7  11  0.15  15  0.20  molprobity     1  True   
1533  1533  OUTLIER  -115.2   136.0  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1534  1534  p         -94.8   151.5  Favored   9   7  0.17  10  0.46  molprobity     1  True   
1535  1535  OUTLIER  -116.3   160.7  Favored  11   8  0.18  11  0.24  molprobity     1  True   
1536  1536  ttt180   -103.6   120.3  Favored  13  11  0.16  14  0.26  molprobity     1  True   
1537  1537  OUTLIER   -86.1   150.1  Favored  11   8  0.20  11  0.24  molprobity     1  True   
1538  1538  mtp-105  -104.5   114.3  Favored  13  11  0.13  14  0.30  molprobity     1  True   
1539  1539  ?         123.0   114.9  Favored   3   4  0.22   5  0.36  molprobity     1  True   
1540  1540  ?             ?       ?  ?         3   3  0.19   2  0.61  molprobity     1  True   
#
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     6  HB      1  0.44  1.88  
  2     9  HD23    2  0.62  1.70  
  3     9  CD2     3  0.51  2.36  
  4    10  HG23    2  0.62  1.70  
  5    10  HG23    3  0.51  2.36  
  6    15  O       4  0.44  2.13  
  7    16  HD22    4  0.44  2.13  
  8    19  HB3     5  0.43  1.91  
  9    20  HD2     5  0.43  1.91  
 10    23  HG22    6  0.60  1.74  
 11    56  HG23    6  0.60  1.74  
 12    64  O       7  0.40  2.68  
 13    65  CB      7  0.40  2.68  
 14    70  HD11    1  0.44  1.88  
 15   134  CD1     8  0.44  2.42  
 16   139  HG21    8  0.44  2.42  
 17   139  HG23    9  0.41  2.16  
 18   139  O       9  0.41  2.16  
 19   141  O      10  0.40  2.69  
 20   142  CB     10  0.40  2.69  
 21   177  O      11  0.41  2.15  
 22   178  HD11   12  0.60  1.71  
 23   178  CD1    13  0.52  2.34  
 24   181  O      14  0.52  2.04  
 25   181  HG23   11  0.41  2.15  
 26   185  HD12   14  0.52  2.04  
 27   197  H      15  0.44  1.73  
 28   205  HD11   12  0.60  1.71  
 29   205  HD11   13  0.52  2.34  
 30   211  HD13   16  0.62  1.71  
 31   216  HD12   16  0.62  1.71  
 32   218  O      17  0.42  2.67  
 33   219  CB     17  0.42  2.67  
 34   225  HG11   15  0.44  1.73  
 35   240  HD21   18  0.57  1.77  
 36   240  HD21   19  0.46  2.40  
 37   255  HD11   20  0.65  1.69  
 38   255  HD12   21  0.57  2.00  
 39   282  HD11   20  0.65  1.69  
 40   282  HD12   22  0.46  2.45  
 41   283  O      21  0.57  2.00  
 42   291  CE2    22  0.46  2.45  
 43   303  HB2    18  0.57  1.77  
 44   303  CB     19  0.46  2.40  
 45   314  HB     23  0.53  1.80  
 46   315  CD     24  0.65  2.21  
 47   315  HG2    25  0.47  1.87  
 48   315  HD2    26  0.45  1.88  
 49   321  HG22   24  0.65  2.21  
 50   321  HG22   26  0.45  1.88  
 51   327  O      27  0.53  2.03  
 52   331  O      28  0.59  1.97  
 53   335  HG23   28  0.59  1.97  
 54   365  HD22   27  0.53  2.03  
 55   375  HG23   25  0.47  1.87  
 56   378  HD11   23  0.53  1.80  
 57   391  HG21   29  0.57  1.75  
 58   391  CG2    30  0.50  2.37  
 59   409  HG22   31  0.51  2.06  
 60   440  O      31  0.51  2.06  
 61   442  HB3    32  0.48  1.84  
 62   447  HD11   32  0.48  1.84  
 63   449  O      33  0.53  2.04  
 64   450  HB2    33  0.53  2.04  
 65   455  HD23   29  0.57  1.75  
 66   455  HD23   30  0.50  2.37  
 67   459  HD13   34  0.55  2.17  
 68   460  N      34  0.55  2.17  
 69   485  O      35  0.60  1.96  
 70   486  HG13   36  0.59  1.74  
 71   489  HG23   35  0.60  1.96  
 72   513  HD11   36  0.59  1.74  
 73   540  O      37  0.40  2.70  
 74   541  CB     37  0.40  2.70  
 75   562  HG23   38  0.54  1.78  
 76   582  O      39  0.43  2.13  
 77   590  HD22   40  0.59  2.32  
 78   595  HG22   38  0.54  1.78  
 79   596  HD12   41  0.41  1.93  
 80   599  CZ     40  0.59  2.32  
 81   599  HB3    42  0.48  1.85  
 82   601  HG23   42  0.48  1.85  
 83   601  HD11   41  0.41  1.93  
 84   609  HD23   43  0.42  2.29  
 85   610  HG22   39  0.43  2.13  
 86   610  N      43  0.42  2.29  
 87   624  HG23   44  0.47  1.87  
 88   680  O      45  0.44  2.65  
 89   681  CB     45  0.44  2.65  
 90   686  HD12   44  0.47  1.87  
 91   711  HG21   46  0.43  2.43  
 92   711  HG21   47  0.42  1.91  
 93   716  O      48  0.61  1.96  
 94   717  CD1    49  0.51  2.35  
 95   717  HD12   50  0.49  1.84  
 96   720  HG23   48  0.61  1.96  
 97   738  C      51  0.43  2.92  
 98   739  CG     51  0.43  2.92  
 99   744  HD21   49  0.51  2.35  
100   744  HD21   50  0.49  1.84  
101   750  CD2    46  0.43  2.43  
102   750  HD21   47  0.42  1.91  
103   757  O      52  0.41  2.69  
104   758  CB     52  0.41  2.69  
105   760  C      53  0.42  2.35  
106   761  HD12   53  0.42  2.35  
107   775  CE1    54  0.65  2.26  
108   775  CD1    55  0.59  2.33  
109   783  HG23   54  0.65  2.26  
110   783  HG23   55  0.59  2.33  
111   793  O      56  0.42  2.15  
112   793  HG23   57  0.42  1.75  
113   796  H      57  0.42  1.75  
114   797  HG23   56  0.42  2.15  
115   832  O      58  0.60  1.95  
116   832  O      59  0.48  2.61  
117   832  HG23   58  0.60  1.95  
118   832  CG2    59  0.48  2.61  
119   832  HD11   60  0.42  2.15  
120   834  O      61  0.43  2.66  
121   835  CB     61  0.43  2.66  
122   836  OG     60  0.42  2.15  
123   851  CD1    62  0.42  2.45  
124   852  CD1    63  0.51  2.40  
125   860  HG23   63  0.51  2.40  
126   865  HG22   62  0.42  2.45  
127   870  O      64  0.55  2.01  
128   874  HG23   64  0.55  2.01  
129   911  O      65  0.45  2.64  
130   912  CB     65  0.45  2.64  
131   919  HD23   66  0.47  2.25  
132   920  N      66  0.47  2.25  
133   930  HG12   67  0.78  1.53  
134   930  HG13   68  0.55  1.76  
135   930  HG13   69  0.52  2.34  
136   930  HG11   70  0.51  1.82  
137   930  CG1    71  0.51  2.32  
138   930  CG1    72  0.43  2.43  
139   930  HG22   73  0.50  1.84  
140   932  HG22   74  0.52  2.03  
141   933  HD21   75  0.58  1.74  
142   936  O      74  0.52  2.03  
143   947  HG22   76  0.68  1.62  
144   968  HD12   77  0.48  1.84  
145   980  HG22   76  0.68  1.62  
146   988  O      78  0.42  2.68  
147   989  CB     78  0.42  2.68  
148   992  HG     68  0.55  1.76  
149   992  CG     69  0.52  2.34  
150   992  HD21   73  0.50  1.84  
151   994  HD11   67  0.78  1.53  
152   994  HD11   71  0.51  2.32  
153   994  HD21   70  0.51  1.82  
154   994  HD21   72  0.43  2.43  
155   994  HD23   77  0.48  1.84  
156   996  HB2    75  0.58  1.74  
157   997  HG2    79  0.44  2.12  
158   997  O      79  0.44  2.12  
159   997  O      80  0.42  2.67  
160   997  CG     80  0.42  2.67  
161  1006  CD2    81  0.44  2.48  
162  1009  HG22   82  0.60  1.96  
163  1009  HG23   83  0.42  1.74  
164  1011  H      83  0.42  1.74  
165  1013  O      82  0.60  1.96  
166  1016  HG23   81  0.44  2.48  
167  1025  HG21   84  0.48  1.85  
168  1045  HB3    85  0.62  1.71  
169  1052  HD21   85  0.62  1.71  
170  1054  HA     84  0.48  1.85  
171  1063  HD12   86  0.44  1.88  
172  1065  O      87  0.41  2.69  
173  1066  CB     87  0.41  2.69  
174  1069  HD21   86  0.44  1.88  
175  1135  HD23   88  0.54  1.80  
176  1135  HD23   89  0.41  2.45  
177  1140  HD12   88  0.54  1.80  
178  1140  CD1    89  0.41  2.45  
179  1142  O      90  0.40  2.69  
180  1143  CB     90  0.40  2.69  
181  1161  HG11   91  0.72  1.60  
182  1161  CG1    92  0.56  2.30  
183  1164  O      93  0.54  2.01  
184  1164  HD13   93  0.54  2.01  
185  1178  HG23   94  0.45  1.72  
186  1179  HG12   95  0.57  1.75  
187  1181  H      94  0.45  1.72  
188  1199  HD12   96  0.44  1.89  
189  1206  HD11   95  0.57  1.75  
190  1206  O      97  0.51  2.05  
191  1206  HD23   97  0.51  2.05  
192  1225  HD23   91  0.72  1.60  
193  1225  HD23   92  0.56  2.30  
194  1225  HD22   96  0.44  1.89  
195  1238  HG22   98  1.00  1.34  
196  1238  HG13   99  0.43  1.90  
197  1251  O     100  0.44  2.11  
198  1277  O     101  0.43  2.72  
199  1278  CD1   101  0.43  2.72  
200  1283  HD21  102  0.42  2.49  
201  1289  HD12  100  0.44  2.11  
202  1292  CD2   102  0.42  2.49  
203  1300  HD21   98  1.00  1.34  
204  1300  HG     99  0.43  1.90  
205  1304  HD13  103  0.49  1.66  
206  1305  H     103  0.49  1.66  
207  1315  HG12  104  0.48  1.85  
208  1315  HB    105  0.40  1.93  
209  1332  O     106  0.44  2.12  
210  1336  HG23  106  0.44  2.12  
211  1369  HB3   107  0.44  1.89  
212  1371  HG23  107  0.44  1.89  
213  1373  O     108  0.43  2.66  
214  1374  CB    108  0.43  2.66  
215  1377  HB2   104  0.48  1.85  
216  1379  HD23  105  0.40  1.93  
217  1409  HG22  109  0.43  1.91  
218  1409  O     110  0.41  2.16  
219  1413  O     111  0.47  2.10  
220  1413  HG23  110  0.41  2.16  
221  1417  HD12  111  0.47  2.10  
222  1430  O     112  0.45  2.12  
223  1431  HD13  112  0.45  2.12  
224  1442  HG23  109  0.43  1.91  
225  1446  HB3   113  0.50  1.83  
226  1446  HB3   114  0.50  2.37  
227  1448  HG23  113  0.50  1.83  
228  1448  CG2   114  0.50  2.37  
229  1472  O     115  0.47  2.09  
230  1472  HD23  115  0.47  2.09  
231  1508  N     116  0.41  2.29  
232  1508  HD13  116  0.41  2.29  
233  1514  HD23  117  0.47  2.44  
234  1514  HD22  118  0.41  2.30  
235  1514  HD13  119  0.40  2.36  
236  1514  C     119  0.40  2.36  
237  1515  N     118  0.41  2.30  
238  1523  CE2   117  0.47  2.44  
239  1527  O     120  0.53  2.03  
240  1528  HB2   120  0.53  2.03  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2        ?     
 2  outlier  ?     
 3  1        ?     
 4  4        ?     
 5  3        ?     
 6  1        ?     
 7  1        ?     
 8  1        ?     
 9  outlier  ?     
10  1        ?     
11  3        True  
12  1        ?     
13  2        ?     
14  1        ?     
15  4        True  
16  2        True  
17  1        ?     
18  outlier  ?     
19  1        True  
20  outlier  ?     
#
_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  76
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.680
_pdbx_vrpt_cyrange_domain.medoid_model        8
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.815
_pdbx_vrpt_cyrange_domain.residue_string      A:1-A:76
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_2
_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           354
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           354
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            354
_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  MET   1  0.026  
 2  A  GLN   2  0.025  
 3  A  ILE   3  0.023  
 4  A  PHE   4  0.021  
 5  A  VAL   5  0.022  
 6  A  LYS   6  0.026  
 7  A  THR   7  0.029  
 8  A  LEU   8  0.039  
 9  A  THR   9  0.054  
10  A  GLY  10  0.071  
11  A  LYS  11  0.066  
12  A  THR  12  0.055  
13  A  ILE  13  0.033  
14  A  THR  14  0.030  
15  A  LEU  15  0.023  
16  A  GLU  16  0.023  
17  A  VAL  17  0.018  
18  A  GLU  18  0.019  
19  A  PRO  19  0.018  
20  A  SER  20  0.020  
21  A  ASP  21  0.019  
22  A  THR  22  0.018  
23  A  ILE  23  0.016  
24  A  GLU  24  0.014  
25  A  ASN  25  0.013  
26  A  VAL  26  0.013  
27  A  LYS  27  0.013  
28  A  ALA  28  0.014  
29  A  LYS  29  0.014  
30  A  ILE  30  0.013  
31  A  GLN  31  0.013  
32  A  ASP  32  0.015  
33  A  LYS  33  0.023  
34  A  GLU  34  0.027  
35  A  GLY  35  0.030  
36  A  ILE  36  0.023  
37  A  PRO  38  0.020  
38  A  ASP  39  0.025  
39  A  GLN  40  0.033  
40  A  GLN  41  0.033  
41  A  ARG  42  0.030  
42  A  LEU  43  0.023  
43  A  ILE  44  0.024  
44  A  PHE  45  0.031  
45  A  ALA  46  0.037  
46  A  GLY  47  0.047  
47  A  LYS  48  0.049  
48  A  GLN  49  0.066  
49  A  LEU  50  0.060  
50  A  GLU  51  0.057  
51  A  ASP  52  0.034  
52  A  GLY  53  0.030  
53  A  ARG  54  0.022  
54  A  THR  55  0.018  
55  A  LEU  56  0.014  
56  A  SER  57  0.014  
57  A  ASP  58  0.016  
58  A  TYR  59  0.025  
59  A  ASN  60  0.030  
60  A  ILE  61  0.034  
61  A  GLN  62  0.030  
62  A  LYS  63  0.027  
63  A  GLU  64  0.023  
64  A  SER  65  0.023  
65  A  THR  66  0.028  
66  A  LEU  67  0.030  
67  A  HIS  68  0.031  
68  A  LEU  69  0.026  
69  A  VAL  70  0.027  
70  A  LEU  71  0.051  
71  A  ARG  72  0.108  
72  A  LEU  73  0.186  
73  A  ARG  74  0.292  
74  A  GLY  75  0.381  
75  A  GLY  76  0.438  
#
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  0.13  -0.32  70  
2  CA  0.50  0.08  -0.37  75  
3  CB  0.50  0.13   0.11  69  
4  N   0.50  0.35   0.76  70  
#
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   13    13  stereomethyl  stereomethyl  
 2  354  717  1071  overall       Total         
 3  285   95   380  backbone      Total         
 4   69  586   655  sidechain     Total         
 5    0   36    36  aromatic      Total         
 6   70  526   596  overall       H             
 7   70   85   155  backbone      H             
 8    0  423   423  sidechain     H             
 9    0   18    18  aromatic      H             
10  214  160   374  overall       C             
11  145    7   152  backbone      C             
12   69  136   205  sidechain     C             
13    0   17    17  aromatic      C             
14   70   31   101  overall       N             
15   70    3    73  backbone      N             
16    0   27    27  sidechain     N             
17    0    1     1  aromatic      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   13    13  stereomethyl  stereomethyl  
 2  354  723  1077  overall       Total         
 3  285  101   386  backbone      Total         
 4   69  586   655  sidechain     Total         
 5    0   36    36  aromatic      Total         
 6   70  529   599  overall       H             
 7   70   88   158  backbone      H             
 8    0  423   423  sidechain     H             
 9    0   18    18  aromatic      H             
10  214  162   376  overall       C             
11  145    9   154  backbone      C             
12   69  136   205  sidechain     C             
13    0   17    17  aromatic      C             
14   70   32   102  overall       N             
15   70    4    74  backbone      N             
16    0   27    27  sidechain     N             
17    0    1     1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    231  
 2  "Intra-residue (|i-j|=0)"                        0  
 3  "Sequential (|i-j|=1)"                         126  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            62  
 5  "Long range (|i-j|>=5)"                         43  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                0  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             3.0  
12  "Number of long range restraints per residue"  0.6  
#
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                   0    0.0  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                 126   54.5  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone    124   53.7  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain     2    0.9  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  62   26.8  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone     62   26.8  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  43   18.6  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone     43   18.6  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
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                 231  100.0  0  0.0  0.0  0  0.0  0.0  
24  Total          BackboneBackbone    229   99.1  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain     2    0.9  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
#
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  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
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  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 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    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 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  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
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  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 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    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 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  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
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  
##
