data_2KQB

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2KQB   
BMRB  16596  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2KQB
_pdbx_vrpt_summary.PDB_deposition_date         2009-11-04
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:19:33
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Aprataxin and PNK-like factor"  
2  non-polymer  "ZINC ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
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  55.02  158937  ?     ?     
2  2  1  66.03   12864  ?     ?     
3  1  2   5.19  154571  ?     ?     
4  2  2  32.05   11451  ?     ?     
5  1  3   5.58  154315  ?     ?     
6  2  3  43.40   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    1.47  
  2  4  2  A   1  1  A    1.47  
  3  5  3  A   1  1  A    9.46  
  4  6  3  A   1  1  A    9.46  
  5  3  2  A   2  1  A    2.95  
  6  4  2  A   2  1  A    2.95  
  7  5  3  A   2  1  A    5.79  
  8  6  3  A   2  1  A    5.79  
  9  3  2  A   3  1  A    2.95  
 10  4  2  A   3  1  A    2.95  
 11  5  3  A   3  1  A    1.54  
 12  6  3  A   3  1  A    1.54  
 13  3  2  A   4  1  A    1.47  
 14  4  2  A   4  1  A    1.47  
 15  5  3  A   4  1  A    1.54  
 16  6  3  A   4  1  A    1.54  
 17  3  2  A   5  1  A    1.47  
 18  4  2  A   5  1  A    1.47  
 19  5  3  A   5  1  A    1.54  
 20  6  3  A   5  1  A    1.54  
 21  3  2  A   6  1  A    1.47  
 22  4  2  A   6  1  A    1.47  
 23  5  3  A   6  1  A    2.35  
 24  6  3  A   6  1  A    2.35  
 25  3  2  A   7  1  A    1.47  
 26  4  2  A   7  1  A    1.47  
 27  5  3  A   7  1  A    0.69  
 28  6  3  A   7  1  A    0.69  
 29  3  2  A   8  1  A    7.64  
 30  4  2  A   8  1  A    7.64  
 31  5  3  A   8  1  A    0.69  
 32  6  3  A   8  1  A    0.69  
 33  3  2  A   9  1  A    7.64  
 34  4  2  A   9  1  A    7.64  
 35  5  3  A   9  1  A    2.35  
 36  6  3  A   9  1  A    2.35  
 37  3  2  A  10  1  A    2.95  
 38  4  2  A  10  1  A    2.95  
 39  5  3  A  10  1  A    0.69  
 40  6  3  A  10  1  A    0.69  
 41  3  2  A  11  1  A    1.47  
 42  4  2  A  11  1  A    1.47  
 43  5  3  A  11  1  A    3.65  
 44  6  3  A  11  1  A    3.65  
 45  3  2  A  12  1  A    2.95  
 46  4  2  A  12  1  A    2.95  
 47  5  3  A  12  1  A    0.69  
 48  6  3  A  12  1  A    0.69  
 49  3  2  A  13  1  A    2.95  
 50  4  2  A  13  1  A    2.95  
 51  5  3  A  13  1  A    1.05  
 52  6  3  A  13  1  A    1.05  
 53  3  2  A  14  1  A    2.95  
 54  4  2  A  14  1  A    2.95  
 55  5  3  A  14  1  A    0.69  
 56  6  3  A  14  1  A    0.69  
 57  3  2  A  15  1  A    7.64  
 58  4  2  A  15  1  A    7.64  
 59  5  3  A  15  1  A    3.65  
 60  6  3  A  15  1  A    3.65  
 61  3  2  A  16  1  A    0.79  
 62  4  2  A  16  1  A    0.79  
 63  5  3  A  16  1  A    9.46  
 64  6  3  A  16  1  A    9.46  
 65  3  2  A  17  1  A    7.64  
 66  4  2  A  17  1  A    7.64  
 67  5  3  A  17  1  A    3.65  
 68  6  3  A  17  1  A    3.65  
 69  3  2  A  18  1  A    2.95  
 70  4  2  A  18  1  A    2.95  
 71  5  3  A  18  1  A    9.46  
 72  6  3  A  18  1  A    9.46  
 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    5.79  
 76  6  3  A  19  1  A    5.79  
 77  3  2  A  20  1  A    2.95  
 78  4  2  A  20  1  A    2.95  
 79  5  3  A  20  1  A    2.35  
 80  6  3  A  20  1  A    2.35  
 81  3  2  A  21  1  A    7.64  
 82  4  2  A  21  1  A    7.64  
 83  5  3  A  21  1  A    2.35  
 84  6  3  A  21  1  A    2.35  
 85  3  2  A  22  1  A    7.64  
 86  4  2  A  22  1  A    7.64  
 87  5  3  A  22  1  A    5.79  
 88  6  3  A  22  1  A    5.79  
 89  3  2  A  23  1  A    1.47  
 90  4  2  A  23  1  A    1.47  
 91  5  3  A  23  1  A    5.79  
 92  6  3  A  23  1  A    5.79  
 93  3  2  A  24  1  A    7.64  
 94  4  2  A  24  1  A    7.64  
 95  5  3  A  24  1  A    1.05  
 96  6  3  A  24  1  A    1.05  
 97  3  2  A  25  1  A    7.64  
 98  4  2  A  25  1  A    7.64  
 99  5  3  A  25  1  A    2.35  
100  6  3  A  25  1  A    2.35  
#
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  1.16  1.22  426  573  
 2   2  1  A  A  1.15  1.23  426  573  
 3   3  1  A  A  1.15  1.22  426  573  
 4   4  1  A  A  1.15  1.22  426  573  
 5   5  1  A  A  1.14  1.24  426  573  
 6   6  1  A  A  1.15  1.23  426  573  
 7   7  1  A  A  1.15  1.23  426  573  
 8   8  1  A  A  1.15  1.23  426  573  
 9   9  1  A  A  1.15  1.24  426  573  
10  10  1  A  A  1.15  1.24  426  573  
11  11  1  A  A  1.15  1.23  426  573  
12  12  1  A  A  1.14  1.23  426  573  
13  13  1  A  A  1.15  1.23  426  573  
14  14  1  A  A  1.15  1.23  426  573  
15  15  1  A  A  1.15  1.22  426  573  
16  16  1  A  A  1.16  1.24  426  573  
17  17  1  A  A  1.14  1.23  426  573  
18  18  1  A  A  1.15  1.23  426  573  
19  19  1  A  A  1.15  1.21  426  573  
20  20  1  A  A  1.15  1.22  426  573  
21  21  1  A  A  1.14  1.22  426  573  
22  22  1  A  A  1.14  1.23  426  573  
23  23  1  A  A  1.14  1.24  426  573  
24  24  1  A  A  1.15  1.22  426  573  
25  25  1  A  A  1.14  1.23  426  573  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              3.87
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  3.70
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   15.29
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       15.73
_pdbx_vrpt_summary_geometry.clashscore                                 5.29
_pdbx_vrpt_summary_geometry.clashscore_full_length                     6.45
_pdbx_vrpt_summary_geometry.num_H_reduce                               9275
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             10650
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 1.23
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            14325
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.15
#
_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            1
_pdbx_vrpt_summary_nmr.medoid_model                             17
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              3
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                25
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              83.29
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  83.76
#
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   363  .  ?        ?  
   2   1  1  A   2  PRO  A   364  .  ?        ?  
   3   1  1  A   3  LEU  A   365  .  ?        ?  
   4   1  1  A   4  GLY  A   366  .  ?        ?  
   5   1  1  A   5  SER  A   367  .  ?        ?  
   6   1  1  A   6  GLY  A   368  .  ?        ?  
   7   1  1  A   7  SER  A   369  .  ?        ?  
   8   1  1  A   8  GLU  A   370  .  ?        ?  
   9   1  1  A   9  GLY  A   371  .  ?        ?  
  10   1  1  A  10  ASN  A   372  .  ?        ?  
  11   1  1  A  11  LYS  A   373  .  ?        ?  
  12   1  1  A  12  VAL  A   374  .  ?        ?  
  13   1  1  A  13  LYS  A   375  .  ?        ?  
  14   1  1  A  14  ARG  A   376  .  ?        ?  
  15   1  1  A  15  THR  A   377  .  ?        ?  
  16   1  1  A  16  SER  A   378  .  ?        ?  
  17   1  1  A  17  CYS  A   379  .  ?        ?  
  18   1  1  A  18  MET  A   380  .  ?        ?  
  19   1  1  A  19  TYR  A   381  .  ?        ?  
  20   1  1  A  20  GLY  A   382  .  ?        ?  
  21   1  1  A  21  ALA  A   383  .  ?        ?  
  22   1  1  A  22  ASN  A   384  .  ?        ?  
  23   1  1  A  23  CYS  A   385  .  ?        ?  
  24   1  1  A  24  TYR  A   386  .  ?        1  
  25   1  1  A  25  ARG  A   387  .  ?        1  
  26   1  1  A  26  LYS  A   388  .  ?        ?  
  27   1  1  A  27  ASN  A   389  .  ?        ?  
  28   1  1  A  28  PRO  A   390  .  ?        ?  
  29   1  1  A  29  VAL  A   391  .  ?        ?  
  30   1  1  A  30  HIS  A   392  .  ?        ?  
  31   1  1  A  31  PHE  A   393  .  ?        ?  
  32   1  1  A  32  GLN  A   394  .  ?        ?  
  33   1  1  A  33  HIS  A   395  .  ?        ?  
  34   1  1  A  34  PHE  A   396  .  ?        2  
  35   1  1  A  35  SER  A   397  .  ?        ?  
  36   1  1  A  36  HIS  A   398  .  ?        ?  
  37   1  1  A  37  PRO  A   399  .  ?        ?  
  38   1  1  A  38  GLY  A   400  .  ?        ?  
  39   1  1  A  39  ASP  A   401  .  ?        ?  
  40   1  1  A  40  SER  A   402  .  ?        ?  
  41   1  1  A  41  ASP  A   403  .  ?        ?  
  42   1  1  A  42  TYR  A   404  .  ?        ?  
  43   1  1  A  43  GLY  A   405  .  ?        ?  
  44   1  1  A  44  GLY  A   406  .  ?        ?  
  45   1  1  A  45  VAL  A   407  .  ?        2  
  46   1  1  A  46  GLN  A   408  .  ?        ?  
  47   1  1  A  47  ILE  A   409  .  ?        1  
  48   1  1  A  48  VAL  A   410  .  ?        ?  
  49   1  1  A  49  GLY  A   411  .  ?        ?  
  50   1  1  A  50  GLN  A   412  .  ?        2  
  51   1  1  A  51  ASP  A   413  .  ?        ?  
  52   1  1  A  52  GLU  A   414  .  ?        ?  
  53   1  1  A  53  THR  A   415  .  ?        1  
  54   1  1  A  54  ASP  A   416  .  ?        ?  
  55   1  1  A  55  ASP  A   417  .  ?        ?  
  56   1  2  B   .  ZN   A  1001  .  ?        ?  
  57   2  1  A   1  GLY  A   363  .  ?        ?  
  58   2  1  A   2  PRO  A   364  .  ?        ?  
  59   2  1  A   3  LEU  A   365  .  ?        ?  
  60   2  1  A   4  GLY  A   366  .  ?        ?  
  61   2  1  A   5  SER  A   367  .  ?        ?  
  62   2  1  A   6  GLY  A   368  .  ?        ?  
  63   2  1  A   7  SER  A   369  .  ?        ?  
  64   2  1  A   8  GLU  A   370  .  ?        ?  
  65   2  1  A   9  GLY  A   371  .  ?        ?  
  66   2  1  A  10  ASN  A   372  .  ?        ?  
  67   2  1  A  11  LYS  A   373  .  ?        ?  
  68   2  1  A  12  VAL  A   374  .  ?        ?  
  69   2  1  A  13  LYS  A   375  .  ?        ?  
  70   2  1  A  14  ARG  A   376  .  ?        ?  
  71   2  1  A  15  THR  A   377  .  ?        ?  
  72   2  1  A  16  SER  A   378  .  ?        ?  
  73   2  1  A  17  CYS  A   379  .  ?        ?  
  74   2  1  A  18  MET  A   380  .  ?        ?  
  75   2  1  A  19  TYR  A   381  .  ?        ?  
  76   2  1  A  20  GLY  A   382  .  ?        1  
  77   2  1  A  21  ALA  A   383  .  ?        ?  
  78   2  1  A  22  ASN  A   384  .  ?        1  
  79   2  1  A  23  CYS  A   385  .  ?        ?  
  80   2  1  A  24  TYR  A   386  .  ?        1  
  81   2  1  A  25  ARG  A   387  .  ?        ?  
  82   2  1  A  26  LYS  A   388  .  ?        ?  
  83   2  1  A  27  ASN  A   389  .  ?        ?  
  84   2  1  A  28  PRO  A   390  .  ?        ?  
  85   2  1  A  29  VAL  A   391  .  ?        ?  
  86   2  1  A  30  HIS  A   392  .  ?        ?  
  87   2  1  A  31  PHE  A   393  .  ?        ?  
  88   2  1  A  32  GLN  A   394  .  ?        ?  
  89   2  1  A  33  HIS  A   395  .  ?        ?  
  90   2  1  A  34  PHE  A   396  .  ?        2  
  91   2  1  A  35  SER  A   397  .  ?        ?  
  92   2  1  A  36  HIS  A   398  .  ?        ?  
  93   2  1  A  37  PRO  A   399  .  ?        1  
  94   2  1  A  38  GLY  A   400  .  ?        ?  
  95   2  1  A  39  ASP  A   401  .  ?        ?  
  96   2  1  A  40  SER  A   402  .  ?        ?  
  97   2  1  A  41  ASP  A   403  .  ?        ?  
  98   2  1  A  42  TYR  A   404  .  ?        ?  
  99   2  1  A  43  GLY  A   405  .  ?        ?  
 100   2  1  A  44  GLY  A   406  .  ?        ?  
 101   2  1  A  45  VAL  A   407  .  ?        2  
 102   2  1  A  46  GLN  A   408  .  ?        ?  
 103   2  1  A  47  ILE  A   409  .  ?        ?  
 104   2  1  A  48  VAL  A   410  .  ?        ?  
 105   2  1  A  49  GLY  A   411  .  ?        ?  
 106   2  1  A  50  GLN  A   412  .  ?        ?  
 107   2  1  A  51  ASP  A   413  .  ?        ?  
 108   2  1  A  52  GLU  A   414  .  ?        ?  
 109   2  1  A  53  THR  A   415  .  ?        ?  
 110   2  1  A  54  ASP  A   416  .  ?        ?  
 111   2  1  A  55  ASP  A   417  .  ?        ?  
 112   2  2  B   .  ZN   A  1001  .  ?        ?  
 113   3  1  A   1  GLY  A   363  .  ?        ?  
 114   3  1  A   2  PRO  A   364  .  ?        ?  
 115   3  1  A   3  LEU  A   365  .  ?        ?  
 116   3  1  A   4  GLY  A   366  .  ?        ?  
 117   3  1  A   5  SER  A   367  .  ?        ?  
 118   3  1  A   6  GLY  A   368  .  ?        ?  
 119   3  1  A   7  SER  A   369  .  ?        ?  
 120   3  1  A   8  GLU  A   370  .  ?        ?  
 121   3  1  A   9  GLY  A   371  .  ?        ?  
 122   3  1  A  10  ASN  A   372  .  ?        ?  
 123   3  1  A  11  LYS  A   373  .  ?        ?  
 124   3  1  A  12  VAL  A   374  .  ?        ?  
 125   3  1  A  13  LYS  A   375  .  ?        ?  
 126   3  1  A  14  ARG  A   376  .  ?        1  
 127   3  1  A  15  THR  A   377  .  ?        ?  
 128   3  1  A  16  SER  A   378  .  ?        ?  
 129   3  1  A  17  CYS  A   379  .  ?        ?  
 130   3  1  A  18  MET  A   380  .  ?        ?  
 131   3  1  A  19  TYR  A   381  .  ?        ?  
 132   3  1  A  20  GLY  A   382  .  ?        1  
 133   3  1  A  21  ALA  A   383  .  ?        ?  
 134   3  1  A  22  ASN  A   384  .  ?        1  
 135   3  1  A  23  CYS  A   385  .  ?        ?  
 136   3  1  A  24  TYR  A   386  .  ?        1  
 137   3  1  A  25  ARG  A   387  .  ?        ?  
 138   3  1  A  26  LYS  A   388  .  ?        ?  
 139   3  1  A  27  ASN  A   389  .  ?        ?  
 140   3  1  A  28  PRO  A   390  .  ?        ?  
 141   3  1  A  29  VAL  A   391  .  ?        ?  
 142   3  1  A  30  HIS  A   392  .  ?        ?  
 143   3  1  A  31  PHE  A   393  .  ?        ?  
 144   3  1  A  32  GLN  A   394  .  ?        ?  
 145   3  1  A  33  HIS  A   395  .  ?        ?  
 146   3  1  A  34  PHE  A   396  .  ?        ?  
 147   3  1  A  35  SER  A   397  .  ?        1  
 148   3  1  A  36  HIS  A   398  .  ?        ?  
 149   3  1  A  37  PRO  A   399  .  ?        1  
 150   3  1  A  38  GLY  A   400  .  ?        ?  
 151   3  1  A  39  ASP  A   401  .  ?        ?  
 152   3  1  A  40  SER  A   402  .  ?        ?  
 153   3  1  A  41  ASP  A   403  .  ?        ?  
 154   3  1  A  42  TYR  A   404  .  ?        ?  
 155   3  1  A  43  GLY  A   405  .  ?        ?  
 156   3  1  A  44  GLY  A   406  .  ?        ?  
 157   3  1  A  45  VAL  A   407  .  ?        2  
 158   3  1  A  46  GLN  A   408  .  ?        ?  
 159   3  1  A  47  ILE  A   409  .  ?        2  
 160   3  1  A  48  VAL  A   410  .  ?        ?  
 161   3  1  A  49  GLY  A   411  .  ?        ?  
 162   3  1  A  50  GLN  A   412  .  ?        2  
 163   3  1  A  51  ASP  A   413  .  ?        ?  
 164   3  1  A  52  GLU  A   414  .  ?        ?  
 165   3  1  A  53  THR  A   415  .  ?        ?  
 166   3  1  A  54  ASP  A   416  .  ?        ?  
 167   3  1  A  55  ASP  A   417  .  ?        ?  
 168   3  2  B   .  ZN   A  1001  .  ?        ?  
 169   4  1  A   1  GLY  A   363  .  ?        ?  
 170   4  1  A   2  PRO  A   364  .  ?        ?  
 171   4  1  A   3  LEU  A   365  .  ?        ?  
 172   4  1  A   4  GLY  A   366  .  ?        ?  
 173   4  1  A   5  SER  A   367  .  ?        ?  
 174   4  1  A   6  GLY  A   368  .  ?        ?  
 175   4  1  A   7  SER  A   369  .  ?        ?  
 176   4  1  A   8  GLU  A   370  .  ?        ?  
 177   4  1  A   9  GLY  A   371  .  ?        ?  
 178   4  1  A  10  ASN  A   372  .  ?        ?  
 179   4  1  A  11  LYS  A   373  .  ?        ?  
 180   4  1  A  12  VAL  A   374  .  ?        ?  
 181   4  1  A  13  LYS  A   375  .  ?        ?  
 182   4  1  A  14  ARG  A   376  .  ?        2  
 183   4  1  A  15  THR  A   377  .  ?        ?  
 184   4  1  A  16  SER  A   378  .  ?        1  
 185   4  1  A  17  CYS  A   379  .  ?        ?  
 186   4  1  A  18  MET  A   380  .  ?        ?  
 187   4  1  A  19  TYR  A   381  .  ?        ?  
 188   4  1  A  20  GLY  A   382  .  ?        ?  
 189   4  1  A  21  ALA  A   383  .  ?        ?  
 190   4  1  A  22  ASN  A   384  .  ?        ?  
 191   4  1  A  23  CYS  A   385  .  ?        ?  
 192   4  1  A  24  TYR  A   386  .  ?        2  
 193   4  1  A  25  ARG  A   387  .  ?        2  
 194   4  1  A  26  LYS  A   388  .  ?        ?  
 195   4  1  A  27  ASN  A   389  .  ?        ?  
 196   4  1  A  28  PRO  A   390  .  ?        ?  
 197   4  1  A  29  VAL  A   391  .  ?        ?  
 198   4  1  A  30  HIS  A   392  .  ?        ?  
 199   4  1  A  31  PHE  A   393  .  ?        ?  
 200   4  1  A  32  GLN  A   394  .  ?        ?  
 201   4  1  A  33  HIS  A   395  .  ?        ?  
 202   4  1  A  34  PHE  A   396  .  ?        ?  
 203   4  1  A  35  SER  A   397  .  ?        2  
 204   4  1  A  36  HIS  A   398  .  ?        ?  
 205   4  1  A  37  PRO  A   399  .  ?        ?  
 206   4  1  A  38  GLY  A   400  .  ?        ?  
 207   4  1  A  39  ASP  A   401  .  ?        ?  
 208   4  1  A  40  SER  A   402  .  ?        ?  
 209   4  1  A  41  ASP  A   403  .  ?        ?  
 210   4  1  A  42  TYR  A   404  .  ?        2  
 211   4  1  A  43  GLY  A   405  .  ?        ?  
 212   4  1  A  44  GLY  A   406  .  ?        ?  
 213   4  1  A  45  VAL  A   407  .  ?        2  
 214   4  1  A  46  GLN  A   408  .  ?        1  
 215   4  1  A  47  ILE  A   409  .  ?        3  
 216   4  1  A  48  VAL  A   410  .  ?        ?  
 217   4  1  A  49  GLY  A   411  .  ?        ?  
 218   4  1  A  50  GLN  A   412  .  ?        1  
 219   4  1  A  51  ASP  A   413  .  ?        ?  
 220   4  1  A  52  GLU  A   414  .  ?        ?  
 221   4  1  A  53  THR  A   415  .  ?        ?  
 222   4  1  A  54  ASP  A   416  .  ?        ?  
 223   4  1  A  55  ASP  A   417  .  ?        ?  
 224   4  2  B   .  ZN   A  1001  .  ?        ?  
 225   5  1  A   1  GLY  A   363  .  ?        ?  
 226   5  1  A   2  PRO  A   364  .  ?        ?  
 227   5  1  A   3  LEU  A   365  .  ?        ?  
 228   5  1  A   4  GLY  A   366  .  ?        ?  
 229   5  1  A   5  SER  A   367  .  ?        ?  
 230   5  1  A   6  GLY  A   368  .  ?        ?  
 231   5  1  A   7  SER  A   369  .  ?        ?  
 232   5  1  A   8  GLU  A   370  .  ?        ?  
 233   5  1  A   9  GLY  A   371  .  ?        ?  
 234   5  1  A  10  ASN  A   372  .  ?        ?  
 235   5  1  A  11  LYS  A   373  .  ?        ?  
 236   5  1  A  12  VAL  A   374  .  ?        ?  
 237   5  1  A  13  LYS  A   375  .  ?        ?  
 238   5  1  A  14  ARG  A   376  .  ?        ?  
 239   5  1  A  15  THR  A   377  .  ?        ?  
 240   5  1  A  16  SER  A   378  .  ?        ?  
 241   5  1  A  17  CYS  A   379  .  ?        ?  
 242   5  1  A  18  MET  A   380  .  ?        ?  
 243   5  1  A  19  TYR  A   381  .  ?        ?  
 244   5  1  A  20  GLY  A   382  .  ?        1  
 245   5  1  A  21  ALA  A   383  .  ?        ?  
 246   5  1  A  22  ASN  A   384  .  ?        1  
 247   5  1  A  23  CYS  A   385  .  ?        ?  
 248   5  1  A  24  TYR  A   386  .  ?        2  
 249   5  1  A  25  ARG  A   387  .  ?        1  
 250   5  1  A  26  LYS  A   388  .  ?        ?  
 251   5  1  A  27  ASN  A   389  .  ?        ?  
 252   5  1  A  28  PRO  A   390  .  ?        ?  
 253   5  1  A  29  VAL  A   391  .  ?        ?  
 254   5  1  A  30  HIS  A   392  .  ?        ?  
 255   5  1  A  31  PHE  A   393  .  ?        ?  
 256   5  1  A  32  GLN  A   394  .  ?        ?  
 257   5  1  A  33  HIS  A   395  .  ?        ?  
 258   5  1  A  34  PHE  A   396  .  ?        2  
 259   5  1  A  35  SER  A   397  .  ?        ?  
 260   5  1  A  36  HIS  A   398  .  ?        ?  
 261   5  1  A  37  PRO  A   399  .  ?        1  
 262   5  1  A  38  GLY  A   400  .  ?        ?  
 263   5  1  A  39  ASP  A   401  .  ?        ?  
 264   5  1  A  40  SER  A   402  .  ?        ?  
 265   5  1  A  41  ASP  A   403  .  ?        ?  
 266   5  1  A  42  TYR  A   404  .  ?        1  
 267   5  1  A  43  GLY  A   405  .  ?        ?  
 268   5  1  A  44  GLY  A   406  .  ?        ?  
 269   5  1  A  45  VAL  A   407  .  ?        1  
 270   5  1  A  46  GLN  A   408  .  ?        ?  
 271   5  1  A  47  ILE  A   409  .  ?        2  
 272   5  1  A  48  VAL  A   410  .  ?        ?  
 273   5  1  A  49  GLY  A   411  .  ?        ?  
 274   5  1  A  50  GLN  A   412  .  ?        2  
 275   5  1  A  51  ASP  A   413  .  ?        ?  
 276   5  1  A  52  GLU  A   414  .  ?        ?  
 277   5  1  A  53  THR  A   415  .  ?        ?  
 278   5  1  A  54  ASP  A   416  .  ?        ?  
 279   5  1  A  55  ASP  A   417  .  ?        ?  
 280   5  2  B   .  ZN   A  1001  .  ?        ?  
 281   6  1  A   1  GLY  A   363  .  ?        ?  
 282   6  1  A   2  PRO  A   364  .  ?        ?  
 283   6  1  A   3  LEU  A   365  .  ?        ?  
 284   6  1  A   4  GLY  A   366  .  ?        ?  
 285   6  1  A   5  SER  A   367  .  ?        ?  
 286   6  1  A   6  GLY  A   368  .  ?        ?  
 287   6  1  A   7  SER  A   369  .  ?        ?  
 288   6  1  A   8  GLU  A   370  .  ?        ?  
 289   6  1  A   9  GLY  A   371  .  ?        ?  
 290   6  1  A  10  ASN  A   372  .  ?        ?  
 291   6  1  A  11  LYS  A   373  .  ?        ?  
 292   6  1  A  12  VAL  A   374  .  ?        ?  
 293   6  1  A  13  LYS  A   375  .  ?        ?  
 294   6  1  A  14  ARG  A   376  .  ?        ?  
 295   6  1  A  15  THR  A   377  .  ?        ?  
 296   6  1  A  16  SER  A   378  .  ?        ?  
 297   6  1  A  17  CYS  A   379  .  ?        ?  
 298   6  1  A  18  MET  A   380  .  ?        ?  
 299   6  1  A  19  TYR  A   381  .  ?        ?  
 300   6  1  A  20  GLY  A   382  .  ?        ?  
 301   6  1  A  21  ALA  A   383  .  ?        ?  
 302   6  1  A  22  ASN  A   384  .  ?        ?  
 303   6  1  A  23  CYS  A   385  .  ?        ?  
 304   6  1  A  24  TYR  A   386  .  ?        1  
 305   6  1  A  25  ARG  A   387  .  ?        2  
 306   6  1  A  26  LYS  A   388  .  ?        ?  
 307   6  1  A  27  ASN  A   389  .  ?        ?  
 308   6  1  A  28  PRO  A   390  .  ?        ?  
 309   6  1  A  29  VAL  A   391  .  ?        ?  
 310   6  1  A  30  HIS  A   392  .  ?        1  
 311   6  1  A  31  PHE  A   393  .  ?        ?  
 312   6  1  A  32  GLN  A   394  .  ?        ?  
 313   6  1  A  33  HIS  A   395  .  ?        ?  
 314   6  1  A  34  PHE  A   396  .  ?        2  
 315   6  1  A  35  SER  A   397  .  ?        ?  
 316   6  1  A  36  HIS  A   398  .  ?        ?  
 317   6  1  A  37  PRO  A   399  .  ?        ?  
 318   6  1  A  38  GLY  A   400  .  ?        ?  
 319   6  1  A  39  ASP  A   401  .  ?        ?  
 320   6  1  A  40  SER  A   402  .  ?        ?  
 321   6  1  A  41  ASP  A   403  .  ?        ?  
 322   6  1  A  42  TYR  A   404  .  ?        ?  
 323   6  1  A  43  GLY  A   405  .  ?        ?  
 324   6  1  A  44  GLY  A   406  .  ?        ?  
 325   6  1  A  45  VAL  A   407  .  ?        ?  
 326   6  1  A  46  GLN  A   408  .  ?        ?  
 327   6  1  A  47  ILE  A   409  .  ?        1  
 328   6  1  A  48  VAL  A   410  .  ?        ?  
 329   6  1  A  49  GLY  A   411  .  ?        ?  
 330   6  1  A  50  GLN  A   412  .  ?        1  
 331   6  1  A  51  ASP  A   413  .  ?        ?  
 332   6  1  A  52  GLU  A   414  .  ?        ?  
 333   6  1  A  53  THR  A   415  .  ?        ?  
 334   6  1  A  54  ASP  A   416  .  ?        ?  
 335   6  1  A  55  ASP  A   417  .  ?        ?  
 336   6  2  B   .  ZN   A  1001  .  ?        ?  
 337   7  1  A   1  GLY  A   363  .  ?        ?  
 338   7  1  A   2  PRO  A   364  .  ?        ?  
 339   7  1  A   3  LEU  A   365  .  ?        ?  
 340   7  1  A   4  GLY  A   366  .  ?        ?  
 341   7  1  A   5  SER  A   367  .  ?        ?  
 342   7  1  A   6  GLY  A   368  .  ?        ?  
 343   7  1  A   7  SER  A   369  .  ?        ?  
 344   7  1  A   8  GLU  A   370  .  ?        3  
 345   7  1  A   9  GLY  A   371  .  ?        ?  
 346   7  1  A  10  ASN  A   372  .  ?        ?  
 347   7  1  A  11  LYS  A   373  .  ?        ?  
 348   7  1  A  12  VAL  A   374  .  ?        3  
 349   7  1  A  13  LYS  A   375  .  ?        ?  
 350   7  1  A  14  ARG  A   376  .  ?        ?  
 351   7  1  A  15  THR  A   377  .  ?        ?  
 352   7  1  A  16  SER  A   378  .  ?        ?  
 353   7  1  A  17  CYS  A   379  .  ?        ?  
 354   7  1  A  18  MET  A   380  .  ?        ?  
 355   7  1  A  19  TYR  A   381  .  ?        ?  
 356   7  1  A  20  GLY  A   382  .  ?        1  
 357   7  1  A  21  ALA  A   383  .  ?        ?  
 358   7  1  A  22  ASN  A   384  .  ?        1  
 359   7  1  A  23  CYS  A   385  .  ?        ?  
 360   7  1  A  24  TYR  A   386  .  ?        1  
 361   7  1  A  25  ARG  A   387  .  ?        ?  
 362   7  1  A  26  LYS  A   388  .  ?        ?  
 363   7  1  A  27  ASN  A   389  .  ?        ?  
 364   7  1  A  28  PRO  A   390  .  ?        ?  
 365   7  1  A  29  VAL  A   391  .  ?        ?  
 366   7  1  A  30  HIS  A   392  .  ?        ?  
 367   7  1  A  31  PHE  A   393  .  ?        ?  
 368   7  1  A  32  GLN  A   394  .  ?        ?  
 369   7  1  A  33  HIS  A   395  .  ?        ?  
 370   7  1  A  34  PHE  A   396  .  ?        2  
 371   7  1  A  35  SER  A   397  .  ?        ?  
 372   7  1  A  36  HIS  A   398  .  ?        ?  
 373   7  1  A  37  PRO  A   399  .  ?        1  
 374   7  1  A  38  GLY  A   400  .  ?        ?  
 375   7  1  A  39  ASP  A   401  .  ?        ?  
 376   7  1  A  40  SER  A   402  .  ?        ?  
 377   7  1  A  41  ASP  A   403  .  ?        ?  
 378   7  1  A  42  TYR  A   404  .  ?        ?  
 379   7  1  A  43  GLY  A   405  .  ?        ?  
 380   7  1  A  44  GLY  A   406  .  ?        ?  
 381   7  1  A  45  VAL  A   407  .  ?        2  
 382   7  1  A  46  GLN  A   408  .  ?        2  
 383   7  1  A  47  ILE  A   409  .  ?        1  
 384   7  1  A  48  VAL  A   410  .  ?        ?  
 385   7  1  A  49  GLY  A   411  .  ?        ?  
 386   7  1  A  50  GLN  A   412  .  ?        1  
 387   7  1  A  51  ASP  A   413  .  ?        ?  
 388   7  1  A  52  GLU  A   414  .  ?        ?  
 389   7  1  A  53  THR  A   415  .  ?        ?  
 390   7  1  A  54  ASP  A   416  .  ?        ?  
 391   7  1  A  55  ASP  A   417  .  ?        ?  
 392   7  2  B   .  ZN   A  1001  .  ?        ?  
 393   8  1  A   1  GLY  A   363  .  ?        ?  
 394   8  1  A   2  PRO  A   364  .  ?        ?  
 395   8  1  A   3  LEU  A   365  .  ?        ?  
 396   8  1  A   4  GLY  A   366  .  ?        ?  
 397   8  1  A   5  SER  A   367  .  ?        ?  
 398   8  1  A   6  GLY  A   368  .  ?        ?  
 399   8  1  A   7  SER  A   369  .  ?        ?  
 400   8  1  A   8  GLU  A   370  .  ?        ?  
 401   8  1  A   9  GLY  A   371  .  ?        ?  
 402   8  1  A  10  ASN  A   372  .  ?        ?  
 403   8  1  A  11  LYS  A   373  .  ?        ?  
 404   8  1  A  12  VAL  A   374  .  ?        ?  
 405   8  1  A  13  LYS  A   375  .  ?        ?  
 406   8  1  A  14  ARG  A   376  .  ?        ?  
 407   8  1  A  15  THR  A   377  .  ?        ?  
 408   8  1  A  16  SER  A   378  .  ?        ?  
 409   8  1  A  17  CYS  A   379  .  ?        ?  
 410   8  1  A  18  MET  A   380  .  ?        ?  
 411   8  1  A  19  TYR  A   381  .  ?        ?  
 412   8  1  A  20  GLY  A   382  .  ?        ?  
 413   8  1  A  21  ALA  A   383  .  ?        ?  
 414   8  1  A  22  ASN  A   384  .  ?        ?  
 415   8  1  A  23  CYS  A   385  .  ?        ?  
 416   8  1  A  24  TYR  A   386  .  ?        1  
 417   8  1  A  25  ARG  A   387  .  ?        1  
 418   8  1  A  26  LYS  A   388  .  ?        ?  
 419   8  1  A  27  ASN  A   389  .  ?        ?  
 420   8  1  A  28  PRO  A   390  .  ?        ?  
 421   8  1  A  29  VAL  A   391  .  ?        ?  
 422   8  1  A  30  HIS  A   392  .  ?        ?  
 423   8  1  A  31  PHE  A   393  .  ?        ?  
 424   8  1  A  32  GLN  A   394  .  ?        ?  
 425   8  1  A  33  HIS  A   395  .  ?        2  
 426   8  1  A  34  PHE  A   396  .  ?        ?  
 427   8  1  A  35  SER  A   397  .  ?        ?  
 428   8  1  A  36  HIS  A   398  .  ?        ?  
 429   8  1  A  37  PRO  A   399  .  ?        ?  
 430   8  1  A  38  GLY  A   400  .  ?        ?  
 431   8  1  A  39  ASP  A   401  .  ?        ?  
 432   8  1  A  40  SER  A   402  .  ?        ?  
 433   8  1  A  41  ASP  A   403  .  ?        ?  
 434   8  1  A  42  TYR  A   404  .  ?        ?  
 435   8  1  A  43  GLY  A   405  .  ?        ?  
 436   8  1  A  44  GLY  A   406  .  ?        ?  
 437   8  1  A  45  VAL  A   407  .  ?        ?  
 438   8  1  A  46  GLN  A   408  .  ?        ?  
 439   8  1  A  47  ILE  A   409  .  ?        ?  
 440   8  1  A  48  VAL  A   410  .  ?        ?  
 441   8  1  A  49  GLY  A   411  .  ?        ?  
 442   8  1  A  50  GLN  A   412  .  ?        ?  
 443   8  1  A  51  ASP  A   413  .  ?        ?  
 444   8  1  A  52  GLU  A   414  .  ?        ?  
 445   8  1  A  53  THR  A   415  .  ?        2  
 446   8  1  A  54  ASP  A   416  .  ?        ?  
 447   8  1  A  55  ASP  A   417  .  ?        ?  
 448   8  2  B   .  ZN   A  1001  .  ?        ?  
 449   9  1  A   1  GLY  A   363  .  ?        ?  
 450   9  1  A   2  PRO  A   364  .  ?        ?  
 451   9  1  A   3  LEU  A   365  .  ?        ?  
 452   9  1  A   4  GLY  A   366  .  ?        ?  
 453   9  1  A   5  SER  A   367  .  ?        ?  
 454   9  1  A   6  GLY  A   368  .  ?        ?  
 455   9  1  A   7  SER  A   369  .  ?        ?  
 456   9  1  A   8  GLU  A   370  .  ?        ?  
 457   9  1  A   9  GLY  A   371  .  ?        ?  
 458   9  1  A  10  ASN  A   372  .  ?        ?  
 459   9  1  A  11  LYS  A   373  .  ?        ?  
 460   9  1  A  12  VAL  A   374  .  ?        ?  
 461   9  1  A  13  LYS  A   375  .  ?        ?  
 462   9  1  A  14  ARG  A   376  .  ?        1  
 463   9  1  A  15  THR  A   377  .  ?        ?  
 464   9  1  A  16  SER  A   378  .  ?        ?  
 465   9  1  A  17  CYS  A   379  .  ?        ?  
 466   9  1  A  18  MET  A   380  .  ?        ?  
 467   9  1  A  19  TYR  A   381  .  ?        ?  
 468   9  1  A  20  GLY  A   382  .  ?        ?  
 469   9  1  A  21  ALA  A   383  .  ?        ?  
 470   9  1  A  22  ASN  A   384  .  ?        ?  
 471   9  1  A  23  CYS  A   385  .  ?        ?  
 472   9  1  A  24  TYR  A   386  .  ?        1  
 473   9  1  A  25  ARG  A   387  .  ?        1  
 474   9  1  A  26  LYS  A   388  .  ?        ?  
 475   9  1  A  27  ASN  A   389  .  ?        ?  
 476   9  1  A  28  PRO  A   390  .  ?        ?  
 477   9  1  A  29  VAL  A   391  .  ?        ?  
 478   9  1  A  30  HIS  A   392  .  ?        ?  
 479   9  1  A  31  PHE  A   393  .  ?        ?  
 480   9  1  A  32  GLN  A   394  .  ?        ?  
 481   9  1  A  33  HIS  A   395  .  ?        ?  
 482   9  1  A  34  PHE  A   396  .  ?        ?  
 483   9  1  A  35  SER  A   397  .  ?        1  
 484   9  1  A  36  HIS  A   398  .  ?        ?  
 485   9  1  A  37  PRO  A   399  .  ?        ?  
 486   9  1  A  38  GLY  A   400  .  ?        ?  
 487   9  1  A  39  ASP  A   401  .  ?        ?  
 488   9  1  A  40  SER  A   402  .  ?        ?  
 489   9  1  A  41  ASP  A   403  .  ?        ?  
 490   9  1  A  42  TYR  A   404  .  ?        ?  
 491   9  1  A  43  GLY  A   405  .  ?        ?  
 492   9  1  A  44  GLY  A   406  .  ?        ?  
 493   9  1  A  45  VAL  A   407  .  ?        2  
 494   9  1  A  46  GLN  A   408  .  ?        ?  
 495   9  1  A  47  ILE  A   409  .  ?        2  
 496   9  1  A  48  VAL  A   410  .  ?        2  
 497   9  1  A  49  GLY  A   411  .  ?        ?  
 498   9  1  A  50  GLN  A   412  .  ?        ?  
 499   9  1  A  51  ASP  A   413  .  ?        ?  
 500   9  1  A  52  GLU  A   414  .  ?        ?  
 501   9  1  A  53  THR  A   415  .  ?        ?  
 502   9  1  A  54  ASP  A   416  .  ?        ?  
 503   9  1  A  55  ASP  A   417  .  ?        ?  
 504   9  2  B   .  ZN   A  1001  .  ?        ?  
 505  10  1  A   1  GLY  A   363  .  ?        ?  
 506  10  1  A   2  PRO  A   364  .  ?        ?  
 507  10  1  A   3  LEU  A   365  .  ?        ?  
 508  10  1  A   4  GLY  A   366  .  ?        ?  
 509  10  1  A   5  SER  A   367  .  ?        ?  
 510  10  1  A   6  GLY  A   368  .  ?        ?  
 511  10  1  A   7  SER  A   369  .  ?        ?  
 512  10  1  A   8  GLU  A   370  .  ?        ?  
 513  10  1  A   9  GLY  A   371  .  ?        ?  
 514  10  1  A  10  ASN  A   372  .  ?        ?  
 515  10  1  A  11  LYS  A   373  .  ?        ?  
 516  10  1  A  12  VAL  A   374  .  ?        ?  
 517  10  1  A  13  LYS  A   375  .  ?        ?  
 518  10  1  A  14  ARG  A   376  .  ?        ?  
 519  10  1  A  15  THR  A   377  .  ?        ?  
 520  10  1  A  16  SER  A   378  .  ?        ?  
 521  10  1  A  17  CYS  A   379  .  ?        ?  
 522  10  1  A  18  MET  A   380  .  ?        ?  
 523  10  1  A  19  TYR  A   381  .  ?        ?  
 524  10  1  A  20  GLY  A   382  .  ?        ?  
 525  10  1  A  21  ALA  A   383  .  ?        ?  
 526  10  1  A  22  ASN  A   384  .  ?        ?  
 527  10  1  A  23  CYS  A   385  .  ?        ?  
 528  10  1  A  24  TYR  A   386  .  ?        1  
 529  10  1  A  25  ARG  A   387  .  ?        1  
 530  10  1  A  26  LYS  A   388  .  ?        ?  
 531  10  1  A  27  ASN  A   389  .  ?        ?  
 532  10  1  A  28  PRO  A   390  .  ?        ?  
 533  10  1  A  29  VAL  A   391  .  ?        ?  
 534  10  1  A  30  HIS  A   392  .  ?        ?  
 535  10  1  A  31  PHE  A   393  .  ?        ?  
 536  10  1  A  32  GLN  A   394  .  ?        ?  
 537  10  1  A  33  HIS  A   395  .  ?        ?  
 538  10  1  A  34  PHE  A   396  .  ?        ?  
 539  10  1  A  35  SER  A   397  .  ?        ?  
 540  10  1  A  36  HIS  A   398  .  ?        ?  
 541  10  1  A  37  PRO  A   399  .  ?        ?  
 542  10  1  A  38  GLY  A   400  .  ?        ?  
 543  10  1  A  39  ASP  A   401  .  ?        ?  
 544  10  1  A  40  SER  A   402  .  ?        ?  
 545  10  1  A  41  ASP  A   403  .  ?        ?  
 546  10  1  A  42  TYR  A   404  .  ?        ?  
 547  10  1  A  43  GLY  A   405  .  ?        ?  
 548  10  1  A  44  GLY  A   406  .  ?        ?  
 549  10  1  A  45  VAL  A   407  .  ?        2  
 550  10  1  A  46  GLN  A   408  .  ?        ?  
 551  10  1  A  47  ILE  A   409  .  ?        1  
 552  10  1  A  48  VAL  A   410  .  ?        ?  
 553  10  1  A  49  GLY  A   411  .  ?        ?  
 554  10  1  A  50  GLN  A   412  .  ?        1  
 555  10  1  A  51  ASP  A   413  .  ?        ?  
 556  10  1  A  52  GLU  A   414  .  ?        ?  
 557  10  1  A  53  THR  A   415  .  ?        ?  
 558  10  1  A  54  ASP  A   416  .  ?        ?  
 559  10  1  A  55  ASP  A   417  .  ?        ?  
 560  10  2  B   .  ZN   A  1001  .  ?        ?  
 561  11  1  A   1  GLY  A   363  .  ?        ?  
 562  11  1  A   2  PRO  A   364  .  ?        ?  
 563  11  1  A   3  LEU  A   365  .  ?        ?  
 564  11  1  A   4  GLY  A   366  .  ?        ?  
 565  11  1  A   5  SER  A   367  .  ?        ?  
 566  11  1  A   6  GLY  A   368  .  ?        ?  
 567  11  1  A   7  SER  A   369  .  ?        ?  
 568  11  1  A   8  GLU  A   370  .  ?        ?  
 569  11  1  A   9  GLY  A   371  .  ?        ?  
 570  11  1  A  10  ASN  A   372  .  ?        ?  
 571  11  1  A  11  LYS  A   373  .  ?        ?  
 572  11  1  A  12  VAL  A   374  .  ?        ?  
 573  11  1  A  13  LYS  A   375  .  ?        ?  
 574  11  1  A  14  ARG  A   376  .  ?        1  
 575  11  1  A  15  THR  A   377  .  ?        ?  
 576  11  1  A  16  SER  A   378  .  ?        1  
 577  11  1  A  17  CYS  A   379  .  ?        ?  
 578  11  1  A  18  MET  A   380  .  ?        ?  
 579  11  1  A  19  TYR  A   381  .  ?        ?  
 580  11  1  A  20  GLY  A   382  .  ?        ?  
 581  11  1  A  21  ALA  A   383  .  ?        ?  
 582  11  1  A  22  ASN  A   384  .  ?        1  
 583  11  1  A  23  CYS  A   385  .  ?        ?  
 584  11  1  A  24  TYR  A   386  .  ?        1  
 585  11  1  A  25  ARG  A   387  .  ?        ?  
 586  11  1  A  26  LYS  A   388  .  ?        ?  
 587  11  1  A  27  ASN  A   389  .  ?        ?  
 588  11  1  A  28  PRO  A   390  .  ?        ?  
 589  11  1  A  29  VAL  A   391  .  ?        ?  
 590  11  1  A  30  HIS  A   392  .  ?        ?  
 591  11  1  A  31  PHE  A   393  .  ?        ?  
 592  11  1  A  32  GLN  A   394  .  ?        ?  
 593  11  1  A  33  HIS  A   395  .  ?        ?  
 594  11  1  A  34  PHE  A   396  .  ?        2  
 595  11  1  A  35  SER  A   397  .  ?        1  
 596  11  1  A  36  HIS  A   398  .  ?        ?  
 597  11  1  A  37  PRO  A   399  .  ?        ?  
 598  11  1  A  38  GLY  A   400  .  ?        ?  
 599  11  1  A  39  ASP  A   401  .  ?        ?  
 600  11  1  A  40  SER  A   402  .  ?        ?  
 601  11  1  A  41  ASP  A   403  .  ?        ?  
 602  11  1  A  42  TYR  A   404  .  ?        2  
 603  11  1  A  43  GLY  A   405  .  ?        ?  
 604  11  1  A  44  GLY  A   406  .  ?        ?  
 605  11  1  A  45  VAL  A   407  .  ?        2  
 606  11  1  A  46  GLN  A   408  .  ?        1  
 607  11  1  A  47  ILE  A   409  .  ?        ?  
 608  11  1  A  48  VAL  A   410  .  ?        2  
 609  11  1  A  49  GLY  A   411  .  ?        ?  
 610  11  1  A  50  GLN  A   412  .  ?        ?  
 611  11  1  A  51  ASP  A   413  .  ?        ?  
 612  11  1  A  52  GLU  A   414  .  ?        ?  
 613  11  1  A  53  THR  A   415  .  ?        ?  
 614  11  1  A  54  ASP  A   416  .  ?        ?  
 615  11  1  A  55  ASP  A   417  .  ?        ?  
 616  11  2  B   .  ZN   A  1001  .  ?        ?  
 617  12  1  A   1  GLY  A   363  .  ?        ?  
 618  12  1  A   2  PRO  A   364  .  ?        ?  
 619  12  1  A   3  LEU  A   365  .  ?        ?  
 620  12  1  A   4  GLY  A   366  .  ?        ?  
 621  12  1  A   5  SER  A   367  .  ?        ?  
 622  12  1  A   6  GLY  A   368  .  ?        ?  
 623  12  1  A   7  SER  A   369  .  ?        ?  
 624  12  1  A   8  GLU  A   370  .  ?        ?  
 625  12  1  A   9  GLY  A   371  .  ?        ?  
 626  12  1  A  10  ASN  A   372  .  ?        ?  
 627  12  1  A  11  LYS  A   373  .  ?        ?  
 628  12  1  A  12  VAL  A   374  .  ?        ?  
 629  12  1  A  13  LYS  A   375  .  ?        ?  
 630  12  1  A  14  ARG  A   376  .  ?        1  
 631  12  1  A  15  THR  A   377  .  ?        ?  
 632  12  1  A  16  SER  A   378  .  ?        ?  
 633  12  1  A  17  CYS  A   379  .  ?        ?  
 634  12  1  A  18  MET  A   380  .  ?        1  
 635  12  1  A  19  TYR  A   381  .  ?        1  
 636  12  1  A  20  GLY  A   382  .  ?        ?  
 637  12  1  A  21  ALA  A   383  .  ?        ?  
 638  12  1  A  22  ASN  A   384  .  ?        1  
 639  12  1  A  23  CYS  A   385  .  ?        ?  
 640  12  1  A  24  TYR  A   386  .  ?        1  
 641  12  1  A  25  ARG  A   387  .  ?        ?  
 642  12  1  A  26  LYS  A   388  .  ?        ?  
 643  12  1  A  27  ASN  A   389  .  ?        ?  
 644  12  1  A  28  PRO  A   390  .  ?        ?  
 645  12  1  A  29  VAL  A   391  .  ?        ?  
 646  12  1  A  30  HIS  A   392  .  ?        ?  
 647  12  1  A  31  PHE  A   393  .  ?        ?  
 648  12  1  A  32  GLN  A   394  .  ?        ?  
 649  12  1  A  33  HIS  A   395  .  ?        ?  
 650  12  1  A  34  PHE  A   396  .  ?        ?  
 651  12  1  A  35  SER  A   397  .  ?        1  
 652  12  1  A  36  HIS  A   398  .  ?        ?  
 653  12  1  A  37  PRO  A   399  .  ?        ?  
 654  12  1  A  38  GLY  A   400  .  ?        ?  
 655  12  1  A  39  ASP  A   401  .  ?        ?  
 656  12  1  A  40  SER  A   402  .  ?        ?  
 657  12  1  A  41  ASP  A   403  .  ?        ?  
 658  12  1  A  42  TYR  A   404  .  ?        ?  
 659  12  1  A  43  GLY  A   405  .  ?        ?  
 660  12  1  A  44  GLY  A   406  .  ?        ?  
 661  12  1  A  45  VAL  A   407  .  ?        ?  
 662  12  1  A  46  GLN  A   408  .  ?        ?  
 663  12  1  A  47  ILE  A   409  .  ?        ?  
 664  12  1  A  48  VAL  A   410  .  ?        ?  
 665  12  1  A  49  GLY  A   411  .  ?        ?  
 666  12  1  A  50  GLN  A   412  .  ?        ?  
 667  12  1  A  51  ASP  A   413  .  ?        ?  
 668  12  1  A  52  GLU  A   414  .  ?        ?  
 669  12  1  A  53  THR  A   415  .  ?        ?  
 670  12  1  A  54  ASP  A   416  .  ?        ?  
 671  12  1  A  55  ASP  A   417  .  ?        ?  
 672  12  2  B   .  ZN   A  1001  .  ?        ?  
 673  13  1  A   1  GLY  A   363  .  ?        ?  
 674  13  1  A   2  PRO  A   364  .  ?        ?  
 675  13  1  A   3  LEU  A   365  .  ?        ?  
 676  13  1  A   4  GLY  A   366  .  ?        ?  
 677  13  1  A   5  SER  A   367  .  ?        ?  
 678  13  1  A   6  GLY  A   368  .  ?        ?  
 679  13  1  A   7  SER  A   369  .  ?        ?  
 680  13  1  A   8  GLU  A   370  .  ?        ?  
 681  13  1  A   9  GLY  A   371  .  ?        ?  
 682  13  1  A  10  ASN  A   372  .  ?        ?  
 683  13  1  A  11  LYS  A   373  .  ?        ?  
 684  13  1  A  12  VAL  A   374  .  ?        ?  
 685  13  1  A  13  LYS  A   375  .  ?        ?  
 686  13  1  A  14  ARG  A   376  .  ?        1  
 687  13  1  A  15  THR  A   377  .  ?        ?  
 688  13  1  A  16  SER  A   378  .  ?        ?  
 689  13  1  A  17  CYS  A   379  .  ?        ?  
 690  13  1  A  18  MET  A   380  .  ?        ?  
 691  13  1  A  19  TYR  A   381  .  ?        ?  
 692  13  1  A  20  GLY  A   382  .  ?        ?  
 693  13  1  A  21  ALA  A   383  .  ?        ?  
 694  13  1  A  22  ASN  A   384  .  ?        ?  
 695  13  1  A  23  CYS  A   385  .  ?        ?  
 696  13  1  A  24  TYR  A   386  .  ?        3  
 697  13  1  A  25  ARG  A   387  .  ?        2  
 698  13  1  A  26  LYS  A   388  .  ?        ?  
 699  13  1  A  27  ASN  A   389  .  ?        ?  
 700  13  1  A  28  PRO  A   390  .  ?        ?  
 701  13  1  A  29  VAL  A   391  .  ?        ?  
 702  13  1  A  30  HIS  A   392  .  ?        ?  
 703  13  1  A  31  PHE  A   393  .  ?        1  
 704  13  1  A  32  GLN  A   394  .  ?        ?  
 705  13  1  A  33  HIS  A   395  .  ?        ?  
 706  13  1  A  34  PHE  A   396  .  ?        ?  
 707  13  1  A  35  SER  A   397  .  ?        1  
 708  13  1  A  36  HIS  A   398  .  ?        ?  
 709  13  1  A  37  PRO  A   399  .  ?        ?  
 710  13  1  A  38  GLY  A   400  .  ?        ?  
 711  13  1  A  39  ASP  A   401  .  ?        ?  
 712  13  1  A  40  SER  A   402  .  ?        ?  
 713  13  1  A  41  ASP  A   403  .  ?        ?  
 714  13  1  A  42  TYR  A   404  .  ?        ?  
 715  13  1  A  43  GLY  A   405  .  ?        ?  
 716  13  1  A  44  GLY  A   406  .  ?        ?  
 717  13  1  A  45  VAL  A   407  .  ?        ?  
 718  13  1  A  46  GLN  A   408  .  ?        ?  
 719  13  1  A  47  ILE  A   409  .  ?        2  
 720  13  1  A  48  VAL  A   410  .  ?        ?  
 721  13  1  A  49  GLY  A   411  .  ?        ?  
 722  13  1  A  50  GLN  A   412  .  ?        2  
 723  13  1  A  51  ASP  A   413  .  ?        ?  
 724  13  1  A  52  GLU  A   414  .  ?        ?  
 725  13  1  A  53  THR  A   415  .  ?        ?  
 726  13  1  A  54  ASP  A   416  .  ?        ?  
 727  13  1  A  55  ASP  A   417  .  ?        ?  
 728  13  2  B   .  ZN   A  1001  .  ?        ?  
 729  14  1  A   1  GLY  A   363  .  ?        ?  
 730  14  1  A   2  PRO  A   364  .  ?        ?  
 731  14  1  A   3  LEU  A   365  .  ?        ?  
 732  14  1  A   4  GLY  A   366  .  ?        ?  
 733  14  1  A   5  SER  A   367  .  ?        ?  
 734  14  1  A   6  GLY  A   368  .  ?        ?  
 735  14  1  A   7  SER  A   369  .  ?        ?  
 736  14  1  A   8  GLU  A   370  .  ?        ?  
 737  14  1  A   9  GLY  A   371  .  ?        ?  
 738  14  1  A  10  ASN  A   372  .  ?        ?  
 739  14  1  A  11  LYS  A   373  .  ?        ?  
 740  14  1  A  12  VAL  A   374  .  ?        ?  
 741  14  1  A  13  LYS  A   375  .  ?        ?  
 742  14  1  A  14  ARG  A   376  .  ?        ?  
 743  14  1  A  15  THR  A   377  .  ?        ?  
 744  14  1  A  16  SER  A   378  .  ?        1  
 745  14  1  A  17  CYS  A   379  .  ?        ?  
 746  14  1  A  18  MET  A   380  .  ?        ?  
 747  14  1  A  19  TYR  A   381  .  ?        ?  
 748  14  1  A  20  GLY  A   382  .  ?        ?  
 749  14  1  A  21  ALA  A   383  .  ?        ?  
 750  14  1  A  22  ASN  A   384  .  ?        ?  
 751  14  1  A  23  CYS  A   385  .  ?        ?  
 752  14  1  A  24  TYR  A   386  .  ?        1  
 753  14  1  A  25  ARG  A   387  .  ?        1  
 754  14  1  A  26  LYS  A   388  .  ?        ?  
 755  14  1  A  27  ASN  A   389  .  ?        ?  
 756  14  1  A  28  PRO  A   390  .  ?        ?  
 757  14  1  A  29  VAL  A   391  .  ?        ?  
 758  14  1  A  30  HIS  A   392  .  ?        ?  
 759  14  1  A  31  PHE  A   393  .  ?        ?  
 760  14  1  A  32  GLN  A   394  .  ?        ?  
 761  14  1  A  33  HIS  A   395  .  ?        ?  
 762  14  1  A  34  PHE  A   396  .  ?        ?  
 763  14  1  A  35  SER  A   397  .  ?        ?  
 764  14  1  A  36  HIS  A   398  .  ?        ?  
 765  14  1  A  37  PRO  A   399  .  ?        ?  
 766  14  1  A  38  GLY  A   400  .  ?        ?  
 767  14  1  A  39  ASP  A   401  .  ?        ?  
 768  14  1  A  40  SER  A   402  .  ?        ?  
 769  14  1  A  41  ASP  A   403  .  ?        ?  
 770  14  1  A  42  TYR  A   404  .  ?        1  
 771  14  1  A  43  GLY  A   405  .  ?        ?  
 772  14  1  A  44  GLY  A   406  .  ?        1  
 773  14  1  A  45  VAL  A   407  .  ?        ?  
 774  14  1  A  46  GLN  A   408  .  ?        1  
 775  14  1  A  47  ILE  A   409  .  ?        ?  
 776  14  1  A  48  VAL  A   410  .  ?        2  
 777  14  1  A  49  GLY  A   411  .  ?        ?  
 778  14  1  A  50  GLN  A   412  .  ?        ?  
 779  14  1  A  51  ASP  A   413  .  ?        ?  
 780  14  1  A  52  GLU  A   414  .  ?        ?  
 781  14  1  A  53  THR  A   415  .  ?        ?  
 782  14  1  A  54  ASP  A   416  .  ?        ?  
 783  14  1  A  55  ASP  A   417  .  ?        ?  
 784  14  2  B   .  ZN   A  1001  .  ?        ?  
 785  15  1  A   1  GLY  A   363  .  ?        ?  
 786  15  1  A   2  PRO  A   364  .  ?        ?  
 787  15  1  A   3  LEU  A   365  .  ?        ?  
 788  15  1  A   4  GLY  A   366  .  ?        ?  
 789  15  1  A   5  SER  A   367  .  ?        ?  
 790  15  1  A   6  GLY  A   368  .  ?        ?  
 791  15  1  A   7  SER  A   369  .  ?        ?  
 792  15  1  A   8  GLU  A   370  .  ?        ?  
 793  15  1  A   9  GLY  A   371  .  ?        ?  
 794  15  1  A  10  ASN  A   372  .  ?        ?  
 795  15  1  A  11  LYS  A   373  .  ?        ?  
 796  15  1  A  12  VAL  A   374  .  ?        ?  
 797  15  1  A  13  LYS  A   375  .  ?        ?  
 798  15  1  A  14  ARG  A   376  .  ?        ?  
 799  15  1  A  15  THR  A   377  .  ?        ?  
 800  15  1  A  16  SER  A   378  .  ?        ?  
 801  15  1  A  17  CYS  A   379  .  ?        ?  
 802  15  1  A  18  MET  A   380  .  ?        ?  
 803  15  1  A  19  TYR  A   381  .  ?        ?  
 804  15  1  A  20  GLY  A   382  .  ?        ?  
 805  15  1  A  21  ALA  A   383  .  ?        ?  
 806  15  1  A  22  ASN  A   384  .  ?        ?  
 807  15  1  A  23  CYS  A   385  .  ?        ?  
 808  15  1  A  24  TYR  A   386  .  ?        1  
 809  15  1  A  25  ARG  A   387  .  ?        1  
 810  15  1  A  26  LYS  A   388  .  ?        ?  
 811  15  1  A  27  ASN  A   389  .  ?        ?  
 812  15  1  A  28  PRO  A   390  .  ?        ?  
 813  15  1  A  29  VAL  A   391  .  ?        ?  
 814  15  1  A  30  HIS  A   392  .  ?        ?  
 815  15  1  A  31  PHE  A   393  .  ?        ?  
 816  15  1  A  32  GLN  A   394  .  ?        ?  
 817  15  1  A  33  HIS  A   395  .  ?        2  
 818  15  1  A  34  PHE  A   396  .  ?        ?  
 819  15  1  A  35  SER  A   397  .  ?        ?  
 820  15  1  A  36  HIS  A   398  .  ?        ?  
 821  15  1  A  37  PRO  A   399  .  ?        ?  
 822  15  1  A  38  GLY  A   400  .  ?        ?  
 823  15  1  A  39  ASP  A   401  .  ?        ?  
 824  15  1  A  40  SER  A   402  .  ?        ?  
 825  15  1  A  41  ASP  A   403  .  ?        ?  
 826  15  1  A  42  TYR  A   404  .  ?        ?  
 827  15  1  A  43  GLY  A   405  .  ?        ?  
 828  15  1  A  44  GLY  A   406  .  ?        ?  
 829  15  1  A  45  VAL  A   407  .  ?        ?  
 830  15  1  A  46  GLN  A   408  .  ?        ?  
 831  15  1  A  47  ILE  A   409  .  ?        ?  
 832  15  1  A  48  VAL  A   410  .  ?        ?  
 833  15  1  A  49  GLY  A   411  .  ?        1  
 834  15  1  A  50  GLN  A   412  .  ?        1  
 835  15  1  A  51  ASP  A   413  .  ?        ?  
 836  15  1  A  52  GLU  A   414  .  ?        ?  
 837  15  1  A  53  THR  A   415  .  ?        ?  
 838  15  1  A  54  ASP  A   416  .  ?        ?  
 839  15  1  A  55  ASP  A   417  .  ?        ?  
 840  15  2  B   .  ZN   A  1001  .  ?        ?  
 841  16  1  A   1  GLY  A   363  .  ?        ?  
 842  16  1  A   2  PRO  A   364  .  ?        ?  
 843  16  1  A   3  LEU  A   365  .  ?        ?  
 844  16  1  A   4  GLY  A   366  .  ?        ?  
 845  16  1  A   5  SER  A   367  .  ?        ?  
 846  16  1  A   6  GLY  A   368  .  ?        ?  
 847  16  1  A   7  SER  A   369  .  ?        ?  
 848  16  1  A   8  GLU  A   370  .  ?        ?  
 849  16  1  A   9  GLY  A   371  .  ?        ?  
 850  16  1  A  10  ASN  A   372  .  ?        ?  
 851  16  1  A  11  LYS  A   373  .  ?        ?  
 852  16  1  A  12  VAL  A   374  .  ?        ?  
 853  16  1  A  13  LYS  A   375  .  ?        ?  
 854  16  1  A  14  ARG  A   376  .  ?        ?  
 855  16  1  A  15  THR  A   377  .  ?        ?  
 856  16  1  A  16  SER  A   378  .  ?        ?  
 857  16  1  A  17  CYS  A   379  .  ?        ?  
 858  16  1  A  18  MET  A   380  .  ?        ?  
 859  16  1  A  19  TYR  A   381  .  ?        ?  
 860  16  1  A  20  GLY  A   382  .  ?        ?  
 861  16  1  A  21  ALA  A   383  .  ?        ?  
 862  16  1  A  22  ASN  A   384  .  ?        ?  
 863  16  1  A  23  CYS  A   385  .  ?        ?  
 864  16  1  A  24  TYR  A   386  .  ?        1  
 865  16  1  A  25  ARG  A   387  .  ?        1  
 866  16  1  A  26  LYS  A   388  .  ?        ?  
 867  16  1  A  27  ASN  A   389  .  ?        ?  
 868  16  1  A  28  PRO  A   390  .  ?        ?  
 869  16  1  A  29  VAL  A   391  .  ?        ?  
 870  16  1  A  30  HIS  A   392  .  ?        ?  
 871  16  1  A  31  PHE  A   393  .  ?        ?  
 872  16  1  A  32  GLN  A   394  .  ?        ?  
 873  16  1  A  33  HIS  A   395  .  ?        ?  
 874  16  1  A  34  PHE  A   396  .  ?        ?  
 875  16  1  A  35  SER  A   397  .  ?        ?  
 876  16  1  A  36  HIS  A   398  .  ?        ?  
 877  16  1  A  37  PRO  A   399  .  ?        ?  
 878  16  1  A  38  GLY  A   400  .  ?        ?  
 879  16  1  A  39  ASP  A   401  .  ?        ?  
 880  16  1  A  40  SER  A   402  .  ?        ?  
 881  16  1  A  41  ASP  A   403  .  ?        ?  
 882  16  1  A  42  TYR  A   404  .  ?        1  
 883  16  1  A  43  GLY  A   405  .  ?        ?  
 884  16  1  A  44  GLY  A   406  .  ?        ?  
 885  16  1  A  45  VAL  A   407  .  ?        2  
 886  16  1  A  46  GLN  A   408  .  ?        1  
 887  16  1  A  47  ILE  A   409  .  ?        1  
 888  16  1  A  48  VAL  A   410  .  ?        ?  
 889  16  1  A  49  GLY  A   411  .  ?        ?  
 890  16  1  A  50  GLN  A   412  .  ?        1  
 891  16  1  A  51  ASP  A   413  .  ?        ?  
 892  16  1  A  52  GLU  A   414  .  ?        ?  
 893  16  1  A  53  THR  A   415  .  ?        ?  
 894  16  1  A  54  ASP  A   416  .  ?        ?  
 895  16  1  A  55  ASP  A   417  .  ?        ?  
 896  16  2  B   .  ZN   A  1001  .  ?        ?  
 897  17  1  A   1  GLY  A   363  .  ?        ?  
 898  17  1  A   2  PRO  A   364  .  ?        ?  
 899  17  1  A   3  LEU  A   365  .  ?        ?  
 900  17  1  A   4  GLY  A   366  .  ?        ?  
 901  17  1  A   5  SER  A   367  .  ?        ?  
 902  17  1  A   6  GLY  A   368  .  ?        ?  
 903  17  1  A   7  SER  A   369  .  ?        ?  
 904  17  1  A   8  GLU  A   370  .  ?        ?  
 905  17  1  A   9  GLY  A   371  .  ?        ?  
 906  17  1  A  10  ASN  A   372  .  ?        ?  
 907  17  1  A  11  LYS  A   373  .  ?        ?  
 908  17  1  A  12  VAL  A   374  .  ?        ?  
 909  17  1  A  13  LYS  A   375  .  ?        ?  
 910  17  1  A  14  ARG  A   376  .  ?        1  
 911  17  1  A  15  THR  A   377  .  ?        ?  
 912  17  1  A  16  SER  A   378  .  ?        1  
 913  17  1  A  17  CYS  A   379  .  ?        ?  
 914  17  1  A  18  MET  A   380  .  ?        ?  
 915  17  1  A  19  TYR  A   381  .  ?        ?  
 916  17  1  A  20  GLY  A   382  .  ?        ?  
 917  17  1  A  21  ALA  A   383  .  ?        ?  
 918  17  1  A  22  ASN  A   384  .  ?        ?  
 919  17  1  A  23  CYS  A   385  .  ?        ?  
 920  17  1  A  24  TYR  A   386  .  ?        1  
 921  17  1  A  25  ARG  A   387  .  ?        1  
 922  17  1  A  26  LYS  A   388  .  ?        ?  
 923  17  1  A  27  ASN  A   389  .  ?        ?  
 924  17  1  A  28  PRO  A   390  .  ?        ?  
 925  17  1  A  29  VAL  A   391  .  ?        ?  
 926  17  1  A  30  HIS  A   392  .  ?        ?  
 927  17  1  A  31  PHE  A   393  .  ?        ?  
 928  17  1  A  32  GLN  A   394  .  ?        1  
 929  17  1  A  33  HIS  A   395  .  ?        ?  
 930  17  1  A  34  PHE  A   396  .  ?        ?  
 931  17  1  A  35  SER  A   397  .  ?        ?  
 932  17  1  A  36  HIS  A   398  .  ?        ?  
 933  17  1  A  37  PRO  A   399  .  ?        ?  
 934  17  1  A  38  GLY  A   400  .  ?        ?  
 935  17  1  A  39  ASP  A   401  .  ?        ?  
 936  17  1  A  40  SER  A   402  .  ?        ?  
 937  17  1  A  41  ASP  A   403  .  ?        ?  
 938  17  1  A  42  TYR  A   404  .  ?        ?  
 939  17  1  A  43  GLY  A   405  .  ?        ?  
 940  17  1  A  44  GLY  A   406  .  ?        ?  
 941  17  1  A  45  VAL  A   407  .  ?        ?  
 942  17  1  A  46  GLN  A   408  .  ?        3  
 943  17  1  A  47  ILE  A   409  .  ?        1  
 944  17  1  A  48  VAL  A   410  .  ?        ?  
 945  17  1  A  49  GLY  A   411  .  ?        ?  
 946  17  1  A  50  GLN  A   412  .  ?        1  
 947  17  1  A  51  ASP  A   413  .  ?        ?  
 948  17  1  A  52  GLU  A   414  .  ?        ?  
 949  17  1  A  53  THR  A   415  .  ?        ?  
 950  17  1  A  54  ASP  A   416  .  ?        ?  
 951  17  1  A  55  ASP  A   417  .  ?        ?  
 952  17  2  B   .  ZN   A  1001  .  ?        ?  
 953  18  1  A   1  GLY  A   363  .  ?        ?  
 954  18  1  A   2  PRO  A   364  .  ?        ?  
 955  18  1  A   3  LEU  A   365  .  ?        ?  
 956  18  1  A   4  GLY  A   366  .  ?        ?  
 957  18  1  A   5  SER  A   367  .  ?        ?  
 958  18  1  A   6  GLY  A   368  .  ?        ?  
 959  18  1  A   7  SER  A   369  .  ?        ?  
 960  18  1  A   8  GLU  A   370  .  ?        ?  
 961  18  1  A   9  GLY  A   371  .  ?        ?  
 962  18  1  A  10  ASN  A   372  .  ?        ?  
 963  18  1  A  11  LYS  A   373  .  ?        ?  
 964  18  1  A  12  VAL  A   374  .  ?        ?  
 965  18  1  A  13  LYS  A   375  .  ?        ?  
 966  18  1  A  14  ARG  A   376  .  ?        1  
 967  18  1  A  15  THR  A   377  .  ?        ?  
 968  18  1  A  16  SER  A   378  .  ?        ?  
 969  18  1  A  17  CYS  A   379  .  ?        ?  
 970  18  1  A  18  MET  A   380  .  ?        ?  
 971  18  1  A  19  TYR  A   381  .  ?        ?  
 972  18  1  A  20  GLY  A   382  .  ?        ?  
 973  18  1  A  21  ALA  A   383  .  ?        ?  
 974  18  1  A  22  ASN  A   384  .  ?        ?  
 975  18  1  A  23  CYS  A   385  .  ?        ?  
 976  18  1  A  24  TYR  A   386  .  ?        1  
 977  18  1  A  25  ARG  A   387  .  ?        2  
 978  18  1  A  26  LYS  A   388  .  ?        ?  
 979  18  1  A  27  ASN  A   389  .  ?        ?  
 980  18  1  A  28  PRO  A   390  .  ?        ?  
 981  18  1  A  29  VAL  A   391  .  ?        ?  
 982  18  1  A  30  HIS  A   392  .  ?        1  
 983  18  1  A  31  PHE  A   393  .  ?        ?  
 984  18  1  A  32  GLN  A   394  .  ?        ?  
 985  18  1  A  33  HIS  A   395  .  ?        ?  
 986  18  1  A  34  PHE  A   396  .  ?        ?  
 987  18  1  A  35  SER  A   397  .  ?        1  
 988  18  1  A  36  HIS  A   398  .  ?        ?  
 989  18  1  A  37  PRO  A   399  .  ?        ?  
 990  18  1  A  38  GLY  A   400  .  ?        ?  
 991  18  1  A  39  ASP  A   401  .  ?        ?  
 992  18  1  A  40  SER  A   402  .  ?        ?  
 993  18  1  A  41  ASP  A   403  .  ?        ?  
 994  18  1  A  42  TYR  A   404  .  ?        2  
 995  18  1  A  43  GLY  A   405  .  ?        ?  
 996  18  1  A  44  GLY  A   406  .  ?        ?  
 997  18  1  A  45  VAL  A   407  .  ?        2  
 998  18  1  A  46  GLN  A   408  .  ?        2  
 999  18  1  A  47  ILE  A   409  .  ?        1  
1000  18  1  A  48  VAL  A   410  .  ?        ?  
1001  18  1  A  49  GLY  A   411  .  ?        ?  
1002  18  1  A  50  GLN  A   412  .  ?        1  
1003  18  1  A  51  ASP  A   413  .  ?        ?  
1004  18  1  A  52  GLU  A   414  .  ?        ?  
1005  18  1  A  53  THR  A   415  .  ?        ?  
1006  18  1  A  54  ASP  A   416  .  ?        ?  
1007  18  1  A  55  ASP  A   417  .  ?        ?  
1008  18  2  B   .  ZN   A  1001  .  ?        ?  
1009  19  1  A   1  GLY  A   363  .  ?        ?  
1010  19  1  A   2  PRO  A   364  .  ?        ?  
1011  19  1  A   3  LEU  A   365  .  ?        ?  
1012  19  1  A   4  GLY  A   366  .  ?        ?  
1013  19  1  A   5  SER  A   367  .  ?        ?  
1014  19  1  A   6  GLY  A   368  .  ?        ?  
1015  19  1  A   7  SER  A   369  .  ?        ?  
1016  19  1  A   8  GLU  A   370  .  ?        ?  
1017  19  1  A   9  GLY  A   371  .  ?        ?  
1018  19  1  A  10  ASN  A   372  .  ?        ?  
1019  19  1  A  11  LYS  A   373  .  ?        ?  
1020  19  1  A  12  VAL  A   374  .  ?        ?  
1021  19  1  A  13  LYS  A   375  .  ?        ?  
1022  19  1  A  14  ARG  A   376  .  ?        2  
1023  19  1  A  15  THR  A   377  .  ?        ?  
1024  19  1  A  16  SER  A   378  .  ?        ?  
1025  19  1  A  17  CYS  A   379  .  ?        ?  
1026  19  1  A  18  MET  A   380  .  ?        ?  
1027  19  1  A  19  TYR  A   381  .  ?        ?  
1028  19  1  A  20  GLY  A   382  .  ?        ?  
1029  19  1  A  21  ALA  A   383  .  ?        ?  
1030  19  1  A  22  ASN  A   384  .  ?        ?  
1031  19  1  A  23  CYS  A   385  .  ?        ?  
1032  19  1  A  24  TYR  A   386  .  ?        1  
1033  19  1  A  25  ARG  A   387  .  ?        1  
1034  19  1  A  26  LYS  A   388  .  ?        ?  
1035  19  1  A  27  ASN  A   389  .  ?        ?  
1036  19  1  A  28  PRO  A   390  .  ?        ?  
1037  19  1  A  29  VAL  A   391  .  ?        ?  
1038  19  1  A  30  HIS  A   392  .  ?        ?  
1039  19  1  A  31  PHE  A   393  .  ?        ?  
1040  19  1  A  32  GLN  A   394  .  ?        ?  
1041  19  1  A  33  HIS  A   395  .  ?        ?  
1042  19  1  A  34  PHE  A   396  .  ?        ?  
1043  19  1  A  35  SER  A   397  .  ?        2  
1044  19  1  A  36  HIS  A   398  .  ?        ?  
1045  19  1  A  37  PRO  A   399  .  ?        ?  
1046  19  1  A  38  GLY  A   400  .  ?        ?  
1047  19  1  A  39  ASP  A   401  .  ?        ?  
1048  19  1  A  40  SER  A   402  .  ?        ?  
1049  19  1  A  41  ASP  A   403  .  ?        ?  
1050  19  1  A  42  TYR  A   404  .  ?        ?  
1051  19  1  A  43  GLY  A   405  .  ?        ?  
1052  19  1  A  44  GLY  A   406  .  ?        ?  
1053  19  1  A  45  VAL  A   407  .  ?        ?  
1054  19  1  A  46  GLN  A   408  .  ?        ?  
1055  19  1  A  47  ILE  A   409  .  ?        4  
1056  19  1  A  48  VAL  A   410  .  ?        ?  
1057  19  1  A  49  GLY  A   411  .  ?        ?  
1058  19  1  A  50  GLN  A   412  .  ?        2  
1059  19  1  A  51  ASP  A   413  .  ?        ?  
1060  19  1  A  52  GLU  A   414  .  ?        ?  
1061  19  1  A  53  THR  A   415  .  ?        ?  
1062  19  1  A  54  ASP  A   416  .  ?        ?  
1063  19  1  A  55  ASP  A   417  .  ?        ?  
1064  19  2  B   .  ZN   A  1001  .  ?        ?  
1065  20  1  A   1  GLY  A   363  .  ?        ?  
1066  20  1  A   2  PRO  A   364  .  ?        ?  
1067  20  1  A   3  LEU  A   365  .  ?        ?  
1068  20  1  A   4  GLY  A   366  .  ?        ?  
1069  20  1  A   5  SER  A   367  .  ?        ?  
1070  20  1  A   6  GLY  A   368  .  ?        ?  
1071  20  1  A   7  SER  A   369  .  ?        ?  
1072  20  1  A   8  GLU  A   370  .  ?        ?  
1073  20  1  A   9  GLY  A   371  .  ?        ?  
1074  20  1  A  10  ASN  A   372  .  ?        ?  
1075  20  1  A  11  LYS  A   373  .  ?        ?  
1076  20  1  A  12  VAL  A   374  .  ?        ?  
1077  20  1  A  13  LYS  A   375  .  ?        ?  
1078  20  1  A  14  ARG  A   376  .  ?        ?  
1079  20  1  A  15  THR  A   377  .  ?        ?  
1080  20  1  A  16  SER  A   378  .  ?        ?  
1081  20  1  A  17  CYS  A   379  .  ?        ?  
1082  20  1  A  18  MET  A   380  .  ?        ?  
1083  20  1  A  19  TYR  A   381  .  ?        ?  
1084  20  1  A  20  GLY  A   382  .  ?        ?  
1085  20  1  A  21  ALA  A   383  .  ?        ?  
1086  20  1  A  22  ASN  A   384  .  ?        ?  
1087  20  1  A  23  CYS  A   385  .  ?        ?  
1088  20  1  A  24  TYR  A   386  .  ?        1  
1089  20  1  A  25  ARG  A   387  .  ?        1  
1090  20  1  A  26  LYS  A   388  .  ?        ?  
1091  20  1  A  27  ASN  A   389  .  ?        ?  
1092  20  1  A  28  PRO  A   390  .  ?        ?  
1093  20  1  A  29  VAL  A   391  .  ?        ?  
1094  20  1  A  30  HIS  A   392  .  ?        ?  
1095  20  1  A  31  PHE  A   393  .  ?        ?  
1096  20  1  A  32  GLN  A   394  .  ?        ?  
1097  20  1  A  33  HIS  A   395  .  ?        ?  
1098  20  1  A  34  PHE  A   396  .  ?        2  
1099  20  1  A  35  SER  A   397  .  ?        ?  
1100  20  1  A  36  HIS  A   398  .  ?        ?  
1101  20  1  A  37  PRO  A   399  .  ?        ?  
1102  20  1  A  38  GLY  A   400  .  ?        ?  
1103  20  1  A  39  ASP  A   401  .  ?        ?  
1104  20  1  A  40  SER  A   402  .  ?        ?  
1105  20  1  A  41  ASP  A   403  .  ?        ?  
1106  20  1  A  42  TYR  A   404  .  ?        ?  
1107  20  1  A  43  GLY  A   405  .  ?        ?  
1108  20  1  A  44  GLY  A   406  .  ?        ?  
1109  20  1  A  45  VAL  A   407  .  ?        2  
1110  20  1  A  46  GLN  A   408  .  ?        ?  
1111  20  1  A  47  ILE  A   409  .  ?        3  
1112  20  1  A  48  VAL  A   410  .  ?        ?  
1113  20  1  A  49  GLY  A   411  .  ?        ?  
1114  20  1  A  50  GLN  A   412  .  ?        1  
1115  20  1  A  51  ASP  A   413  .  ?        ?  
1116  20  1  A  52  GLU  A   414  .  ?        ?  
1117  20  1  A  53  THR  A   415  .  ?        ?  
1118  20  1  A  54  ASP  A   416  .  ?        ?  
1119  20  1  A  55  ASP  A   417  .  ?        ?  
1120  20  2  B   .  ZN   A  1001  .  ?        ?  
1121  21  1  A   1  GLY  A   363  .  ?        ?  
1122  21  1  A   2  PRO  A   364  .  ?        ?  
1123  21  1  A   3  LEU  A   365  .  ?        ?  
1124  21  1  A   4  GLY  A   366  .  ?        ?  
1125  21  1  A   5  SER  A   367  .  ?        ?  
1126  21  1  A   6  GLY  A   368  .  ?        ?  
1127  21  1  A   7  SER  A   369  .  ?        ?  
1128  21  1  A   8  GLU  A   370  .  ?        ?  
1129  21  1  A   9  GLY  A   371  .  ?        ?  
1130  21  1  A  10  ASN  A   372  .  ?        ?  
1131  21  1  A  11  LYS  A   373  .  ?        ?  
1132  21  1  A  12  VAL  A   374  .  ?        ?  
1133  21  1  A  13  LYS  A   375  .  ?        ?  
1134  21  1  A  14  ARG  A   376  .  ?        1  
1135  21  1  A  15  THR  A   377  .  ?        ?  
1136  21  1  A  16  SER  A   378  .  ?        ?  
1137  21  1  A  17  CYS  A   379  .  ?        ?  
1138  21  1  A  18  MET  A   380  .  ?        ?  
1139  21  1  A  19  TYR  A   381  .  ?        ?  
1140  21  1  A  20  GLY  A   382  .  ?        ?  
1141  21  1  A  21  ALA  A   383  .  ?        ?  
1142  21  1  A  22  ASN  A   384  .  ?        ?  
1143  21  1  A  23  CYS  A   385  .  ?        ?  
1144  21  1  A  24  TYR  A   386  .  ?        1  
1145  21  1  A  25  ARG  A   387  .  ?        1  
1146  21  1  A  26  LYS  A   388  .  ?        ?  
1147  21  1  A  27  ASN  A   389  .  ?        ?  
1148  21  1  A  28  PRO  A   390  .  ?        ?  
1149  21  1  A  29  VAL  A   391  .  ?        ?  
1150  21  1  A  30  HIS  A   392  .  ?        ?  
1151  21  1  A  31  PHE  A   393  .  ?        ?  
1152  21  1  A  32  GLN  A   394  .  ?        ?  
1153  21  1  A  33  HIS  A   395  .  ?        ?  
1154  21  1  A  34  PHE  A   396  .  ?        ?  
1155  21  1  A  35  SER  A   397  .  ?        1  
1156  21  1  A  36  HIS  A   398  .  ?        ?  
1157  21  1  A  37  PRO  A   399  .  ?        ?  
1158  21  1  A  38  GLY  A   400  .  ?        ?  
1159  21  1  A  39  ASP  A   401  .  ?        ?  
1160  21  1  A  40  SER  A   402  .  ?        ?  
1161  21  1  A  41  ASP  A   403  .  ?        ?  
1162  21  1  A  42  TYR  A   404  .  ?        1  
1163  21  1  A  43  GLY  A   405  .  ?        ?  
1164  21  1  A  44  GLY  A   406  .  ?        ?  
1165  21  1  A  45  VAL  A   407  .  ?        2  
1166  21  1  A  46  GLN  A   408  .  ?        1  
1167  21  1  A  47  ILE  A   409  .  ?        1  
1168  21  1  A  48  VAL  A   410  .  ?        ?  
1169  21  1  A  49  GLY  A   411  .  ?        ?  
1170  21  1  A  50  GLN  A   412  .  ?        1  
1171  21  1  A  51  ASP  A   413  .  ?        ?  
1172  21  1  A  52  GLU  A   414  .  ?        ?  
1173  21  1  A  53  THR  A   415  .  ?        ?  
1174  21  1  A  54  ASP  A   416  .  ?        ?  
1175  21  1  A  55  ASP  A   417  .  ?        ?  
1176  21  2  B   .  ZN   A  1001  .  ?        ?  
1177  22  1  A   1  GLY  A   363  .  ?        ?  
1178  22  1  A   2  PRO  A   364  .  ?        ?  
1179  22  1  A   3  LEU  A   365  .  ?        ?  
1180  22  1  A   4  GLY  A   366  .  ?        ?  
1181  22  1  A   5  SER  A   367  .  ?        ?  
1182  22  1  A   6  GLY  A   368  .  ?        ?  
1183  22  1  A   7  SER  A   369  .  ?        ?  
1184  22  1  A   8  GLU  A   370  .  ?        ?  
1185  22  1  A   9  GLY  A   371  .  ?        ?  
1186  22  1  A  10  ASN  A   372  .  ?        ?  
1187  22  1  A  11  LYS  A   373  .  ?        ?  
1188  22  1  A  12  VAL  A   374  .  ?        ?  
1189  22  1  A  13  LYS  A   375  .  ?        ?  
1190  22  1  A  14  ARG  A   376  .  ?        ?  
1191  22  1  A  15  THR  A   377  .  ?        ?  
1192  22  1  A  16  SER  A   378  .  ?        ?  
1193  22  1  A  17  CYS  A   379  .  ?        ?  
1194  22  1  A  18  MET  A   380  .  ?        ?  
1195  22  1  A  19  TYR  A   381  .  ?        ?  
1196  22  1  A  20  GLY  A   382  .  ?        ?  
1197  22  1  A  21  ALA  A   383  .  ?        ?  
1198  22  1  A  22  ASN  A   384  .  ?        ?  
1199  22  1  A  23  CYS  A   385  .  ?        ?  
1200  22  1  A  24  TYR  A   386  .  ?        1  
1201  22  1  A  25  ARG  A   387  .  ?        1  
1202  22  1  A  26  LYS  A   388  .  ?        ?  
1203  22  1  A  27  ASN  A   389  .  ?        ?  
1204  22  1  A  28  PRO  A   390  .  ?        ?  
1205  22  1  A  29  VAL  A   391  .  ?        ?  
1206  22  1  A  30  HIS  A   392  .  ?        ?  
1207  22  1  A  31  PHE  A   393  .  ?        ?  
1208  22  1  A  32  GLN  A   394  .  ?        ?  
1209  22  1  A  33  HIS  A   395  .  ?        ?  
1210  22  1  A  34  PHE  A   396  .  ?        2  
1211  22  1  A  35  SER  A   397  .  ?        ?  
1212  22  1  A  36  HIS  A   398  .  ?        ?  
1213  22  1  A  37  PRO  A   399  .  ?        ?  
1214  22  1  A  38  GLY  A   400  .  ?        ?  
1215  22  1  A  39  ASP  A   401  .  ?        ?  
1216  22  1  A  40  SER  A   402  .  ?        ?  
1217  22  1  A  41  ASP  A   403  .  ?        ?  
1218  22  1  A  42  TYR  A   404  .  ?        ?  
1219  22  1  A  43  GLY  A   405  .  ?        ?  
1220  22  1  A  44  GLY  A   406  .  ?        ?  
1221  22  1  A  45  VAL  A   407  .  ?        ?  
1222  22  1  A  46  GLN  A   408  .  ?        ?  
1223  22  1  A  47  ILE  A   409  .  ?        1  
1224  22  1  A  48  VAL  A   410  .  ?        ?  
1225  22  1  A  49  GLY  A   411  .  ?        ?  
1226  22  1  A  50  GLN  A   412  .  ?        1  
1227  22  1  A  51  ASP  A   413  .  ?        ?  
1228  22  1  A  52  GLU  A   414  .  ?        ?  
1229  22  1  A  53  THR  A   415  .  ?        ?  
1230  22  1  A  54  ASP  A   416  .  ?        ?  
1231  22  1  A  55  ASP  A   417  .  ?        ?  
1232  22  2  B   .  ZN   A  1001  .  ?        ?  
1233  23  1  A   1  GLY  A   363  .  ?        ?  
1234  23  1  A   2  PRO  A   364  .  ?        ?  
1235  23  1  A   3  LEU  A   365  .  ?        ?  
1236  23  1  A   4  GLY  A   366  .  ?        ?  
1237  23  1  A   5  SER  A   367  .  ?        ?  
1238  23  1  A   6  GLY  A   368  .  ?        ?  
1239  23  1  A   7  SER  A   369  .  ?        ?  
1240  23  1  A   8  GLU  A   370  .  ?        ?  
1241  23  1  A   9  GLY  A   371  .  ?        ?  
1242  23  1  A  10  ASN  A   372  .  ?        ?  
1243  23  1  A  11  LYS  A   373  .  ?        ?  
1244  23  1  A  12  VAL  A   374  .  ?        ?  
1245  23  1  A  13  LYS  A   375  .  ?        ?  
1246  23  1  A  14  ARG  A   376  .  ?        1  
1247  23  1  A  15  THR  A   377  .  ?        1  
1248  23  1  A  16  SER  A   378  .  ?        ?  
1249  23  1  A  17  CYS  A   379  .  ?        ?  
1250  23  1  A  18  MET  A   380  .  ?        ?  
1251  23  1  A  19  TYR  A   381  .  ?        ?  
1252  23  1  A  20  GLY  A   382  .  ?        ?  
1253  23  1  A  21  ALA  A   383  .  ?        ?  
1254  23  1  A  22  ASN  A   384  .  ?        ?  
1255  23  1  A  23  CYS  A   385  .  ?        ?  
1256  23  1  A  24  TYR  A   386  .  ?        1  
1257  23  1  A  25  ARG  A   387  .  ?        1  
1258  23  1  A  26  LYS  A   388  .  ?        ?  
1259  23  1  A  27  ASN  A   389  .  ?        ?  
1260  23  1  A  28  PRO  A   390  .  ?        ?  
1261  23  1  A  29  VAL  A   391  .  ?        ?  
1262  23  1  A  30  HIS  A   392  .  ?        ?  
1263  23  1  A  31  PHE  A   393  .  ?        ?  
1264  23  1  A  32  GLN  A   394  .  ?        ?  
1265  23  1  A  33  HIS  A   395  .  ?        ?  
1266  23  1  A  34  PHE  A   396  .  ?        ?  
1267  23  1  A  35  SER  A   397  .  ?        2  
1268  23  1  A  36  HIS  A   398  .  ?        ?  
1269  23  1  A  37  PRO  A   399  .  ?        ?  
1270  23  1  A  38  GLY  A   400  .  ?        ?  
1271  23  1  A  39  ASP  A   401  .  ?        ?  
1272  23  1  A  40  SER  A   402  .  ?        ?  
1273  23  1  A  41  ASP  A   403  .  ?        ?  
1274  23  1  A  42  TYR  A   404  .  ?        ?  
1275  23  1  A  43  GLY  A   405  .  ?        ?  
1276  23  1  A  44  GLY  A   406  .  ?        ?  
1277  23  1  A  45  VAL  A   407  .  ?        2  
1278  23  1  A  46  GLN  A   408  .  ?        ?  
1279  23  1  A  47  ILE  A   409  .  ?        1  
1280  23  1  A  48  VAL  A   410  .  ?        ?  
1281  23  1  A  49  GLY  A   411  .  ?        ?  
1282  23  1  A  50  GLN  A   412  .  ?        1  
1283  23  1  A  51  ASP  A   413  .  ?        ?  
1284  23  1  A  52  GLU  A   414  .  ?        ?  
1285  23  1  A  53  THR  A   415  .  ?        ?  
1286  23  1  A  54  ASP  A   416  .  ?        ?  
1287  23  1  A  55  ASP  A   417  .  ?        ?  
1288  23  2  B   .  ZN   A  1001  .  ?        ?  
1289  24  1  A   1  GLY  A   363  .  ?        ?  
1290  24  1  A   2  PRO  A   364  .  ?        ?  
1291  24  1  A   3  LEU  A   365  .  ?        ?  
1292  24  1  A   4  GLY  A   366  .  ?        ?  
1293  24  1  A   5  SER  A   367  .  ?        ?  
1294  24  1  A   6  GLY  A   368  .  ?        ?  
1295  24  1  A   7  SER  A   369  .  ?        ?  
1296  24  1  A   8  GLU  A   370  .  ?        ?  
1297  24  1  A   9  GLY  A   371  .  ?        ?  
1298  24  1  A  10  ASN  A   372  .  ?        ?  
1299  24  1  A  11  LYS  A   373  .  ?        ?  
1300  24  1  A  12  VAL  A   374  .  ?        ?  
1301  24  1  A  13  LYS  A   375  .  ?        ?  
1302  24  1  A  14  ARG  A   376  .  ?        1  
1303  24  1  A  15  THR  A   377  .  ?        ?  
1304  24  1  A  16  SER  A   378  .  ?        ?  
1305  24  1  A  17  CYS  A   379  .  ?        ?  
1306  24  1  A  18  MET  A   380  .  ?        ?  
1307  24  1  A  19  TYR  A   381  .  ?        ?  
1308  24  1  A  20  GLY  A   382  .  ?        ?  
1309  24  1  A  21  ALA  A   383  .  ?        ?  
1310  24  1  A  22  ASN  A   384  .  ?        ?  
1311  24  1  A  23  CYS  A   385  .  ?        ?  
1312  24  1  A  24  TYR  A   386  .  ?        1  
1313  24  1  A  25  ARG  A   387  .  ?        1  
1314  24  1  A  26  LYS  A   388  .  ?        ?  
1315  24  1  A  27  ASN  A   389  .  ?        ?  
1316  24  1  A  28  PRO  A   390  .  ?        ?  
1317  24  1  A  29  VAL  A   391  .  ?        ?  
1318  24  1  A  30  HIS  A   392  .  ?        ?  
1319  24  1  A  31  PHE  A   393  .  ?        ?  
1320  24  1  A  32  GLN  A   394  .  ?        ?  
1321  24  1  A  33  HIS  A   395  .  ?        ?  
1322  24  1  A  34  PHE  A   396  .  ?        ?  
1323  24  1  A  35  SER  A   397  .  ?        1  
1324  24  1  A  36  HIS  A   398  .  ?        ?  
1325  24  1  A  37  PRO  A   399  .  ?        ?  
1326  24  1  A  38  GLY  A   400  .  ?        ?  
1327  24  1  A  39  ASP  A   401  .  ?        ?  
1328  24  1  A  40  SER  A   402  .  ?        ?  
1329  24  1  A  41  ASP  A   403  .  ?        ?  
1330  24  1  A  42  TYR  A   404  .  ?        ?  
1331  24  1  A  43  GLY  A   405  .  ?        ?  
1332  24  1  A  44  GLY  A   406  .  ?        ?  
1333  24  1  A  45  VAL  A   407  .  ?        2  
1334  24  1  A  46  GLN  A   408  .  ?        ?  
1335  24  1  A  47  ILE  A   409  .  ?        2  
1336  24  1  A  48  VAL  A   410  .  ?        ?  
1337  24  1  A  49  GLY  A   411  .  ?        ?  
1338  24  1  A  50  GLN  A   412  .  ?        ?  
1339  24  1  A  51  ASP  A   413  .  ?        ?  
1340  24  1  A  52  GLU  A   414  .  ?        ?  
1341  24  1  A  53  THR  A   415  .  ?        ?  
1342  24  1  A  54  ASP  A   416  .  ?        ?  
1343  24  1  A  55  ASP  A   417  .  ?        ?  
1344  24  2  B   .  ZN   A  1001  .  ?        ?  
1345  25  1  A   1  GLY  A   363  .  ?        ?  
1346  25  1  A   2  PRO  A   364  .  ?        ?  
1347  25  1  A   3  LEU  A   365  .  ?        ?  
1348  25  1  A   4  GLY  A   366  .  ?        ?  
1349  25  1  A   5  SER  A   367  .  ?        ?  
1350  25  1  A   6  GLY  A   368  .  ?        ?  
1351  25  1  A   7  SER  A   369  .  ?        ?  
1352  25  1  A   8  GLU  A   370  .  ?        ?  
1353  25  1  A   9  GLY  A   371  .  ?        ?  
1354  25  1  A  10  ASN  A   372  .  ?        ?  
1355  25  1  A  11  LYS  A   373  .  ?        ?  
1356  25  1  A  12  VAL  A   374  .  ?        ?  
1357  25  1  A  13  LYS  A   375  .  ?        ?  
1358  25  1  A  14  ARG  A   376  .  ?        1  
1359  25  1  A  15  THR  A   377  .  ?        ?  
1360  25  1  A  16  SER  A   378  .  ?        ?  
1361  25  1  A  17  CYS  A   379  .  ?        ?  
1362  25  1  A  18  MET  A   380  .  ?        ?  
1363  25  1  A  19  TYR  A   381  .  ?        ?  
1364  25  1  A  20  GLY  A   382  .  ?        ?  
1365  25  1  A  21  ALA  A   383  .  ?        ?  
1366  25  1  A  22  ASN  A   384  .  ?        ?  
1367  25  1  A  23  CYS  A   385  .  ?        ?  
1368  25  1  A  24  TYR  A   386  .  ?        1  
1369  25  1  A  25  ARG  A   387  .  ?        1  
1370  25  1  A  26  LYS  A   388  .  ?        ?  
1371  25  1  A  27  ASN  A   389  .  ?        ?  
1372  25  1  A  28  PRO  A   390  .  ?        ?  
1373  25  1  A  29  VAL  A   391  .  ?        ?  
1374  25  1  A  30  HIS  A   392  .  ?        ?  
1375  25  1  A  31  PHE  A   393  .  ?        ?  
1376  25  1  A  32  GLN  A   394  .  ?        ?  
1377  25  1  A  33  HIS  A   395  .  ?        ?  
1378  25  1  A  34  PHE  A   396  .  ?        ?  
1379  25  1  A  35  SER  A   397  .  ?        1  
1380  25  1  A  36  HIS  A   398  .  ?        ?  
1381  25  1  A  37  PRO  A   399  .  ?        ?  
1382  25  1  A  38  GLY  A   400  .  ?        ?  
1383  25  1  A  39  ASP  A   401  .  ?        ?  
1384  25  1  A  40  SER  A   402  .  ?        ?  
1385  25  1  A  41  ASP  A   403  .  ?        ?  
1386  25  1  A  42  TYR  A   404  .  ?        ?  
1387  25  1  A  43  GLY  A   405  .  ?        ?  
1388  25  1  A  44  GLY  A   406  .  ?        ?  
1389  25  1  A  45  VAL  A   407  .  ?        ?  
1390  25  1  A  46  GLN  A   408  .  ?        ?  
1391  25  1  A  47  ILE  A   409  .  ?        4  
1392  25  1  A  48  VAL  A   410  .  ?        ?  
1393  25  1  A  49  GLY  A   411  .  ?        ?  
1394  25  1  A  50  GLN  A   412  .  ?        2  
1395  25  1  A  51  ASP  A   413  .  ?        ?  
1396  25  1  A  52  GLU  A   414  .  ?        ?  
1397  25  1  A  53  THR  A   415  .  ?        ?  
1398  25  1  A  54  ASP  A   416  .  ?        ?  
1399  25  1  A  55  ASP  A   417  .  ?        ?  
1400  25  2  B   .  ZN   A  1001  .  ?        ?  
#
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  ?             ?       ?  ?           2     4  1.54     6  0.80  molprobity     ?  False  
   2     2  Cg_endo   -72.6  -171.3  Allowed     7     8  0.52    11  0.45  molprobity     ?  False  
   3     3  tt         53.0    95.3  OUTLIER    11     8  0.85    11  1.27  molprobity     ?  False  
   4     4  ?          87.2    41.1  Favored     3     4  1.54     5  0.84  molprobity     ?  False  
   5     5  m        -146.3   108.6  Favored     5     6  0.83     8  1.48  molprobity     ?  False  
   6     6  ?         139.1    84.2  Allowed     3     4  1.55     5  0.83  molprobity     ?  False  
   7     7  p        -142.2    48.2  Allowed     5     6  0.85     8  1.41  molprobity     ?  False  
   8     8  mp0      -127.0    70.0  Allowed     6     9  1.58    12  1.29  molprobity     ?  False  
   9     9  ?        -139.2    40.8  Allowed     3     4  1.51     5  0.83  molprobity     ?  False  
  10    10  m-80     -148.9   -66.8  Allowed     6     8  0.94    11  1.27  molprobity     ?  False  
  11    11  mptm?    -137.2    63.7  Allowed    13     9  0.77    11  1.47  molprobity     ?  False  
  12    12  t        -144.7   160.5  Favored     9     7  0.82    10  1.13  molprobity     1  True   
  13    13  mttt      -89.4    91.8  Favored    13     9  0.93    11  1.34  molprobity     1  True   
  14    14  mtm-85    -60.0   154.0  Favored    13    11  1.14    14  1.41  molprobity     1  True   
  15    15  t         -81.0   138.4  Favored     7     7  0.86    10  1.01  molprobity     1  True   
  16    16  p         -52.8   151.9  Favored     5     6  1.29     8  1.06  molprobity     1  True   
  17    17  t         -75.8   157.0  Favored     4     6  1.13     8  1.34  molprobity     1  True   
  18    18  mtm       -57.8   -26.2  Favored     9     8  1.13    10  1.26  molprobity     1  True   
  19    19  m-85      -89.6   -19.3  Favored     9    13  1.89    18  1.38  molprobity     1  True   
  20    20  ?          64.6   -91.1  OUTLIER     3     4  1.53     5  0.75  molprobity     1  True   
  21    21  ?        -104.7    -3.1  Favored     5     5  0.99     7  1.53  molprobity     1  True   
  22    22  m-80     -113.8    20.0  Favored     6     8  0.93    11  1.38  molprobity     1  True   
  23    23  t         -50.3   139.7  Favored     4     6  1.33     8  1.14  molprobity     1  True   
  24    24  p90      -115.9   -36.4  Favored     9    13  1.91    18  1.26  molprobity     1  True   
  25    25  ptt180    -75.6   160.4  Favored    13    11  1.31    14  1.42  molprobity     1  True   
  26    26  OUTLIER  -153.8   104.3  Favored    13     9  0.81    11  1.41  molprobity     1  True   
  27    27  m120     -118.7   165.9  Favored     6     8  0.96    12  1.19  molprobity     1  True   
  28    28  Cg_endo   -71.9   -26.2  Favored     7     8  0.66    11  0.48  molprobity     1  True   
  29    29  t         -98.4   -20.9  Favored     9     7  1.05    10  1.12  molprobity     1  True   
  30    30  t60       -65.9   -38.2  Favored     7    11  0.98    15  0.93  molprobity     1  True   
  31    31  m-85      -58.5   -26.4  Favored     9    12  1.83    16  0.99  molprobity     1  True   
  32    32  OUTLIER   -80.7   -29.4  Favored     8     9  1.03    12  1.06  molprobity     1  True   
  33    33  m170      -87.3   -35.6  Favored     7    11  0.92    15  1.00  molprobity     1  True   
  34    34  m-85     -122.2   137.6  Favored     9    12  1.77    16  1.07  molprobity     1  True   
  35    35  OUTLIER   -89.2   169.2  Favored     5     6  0.95     8  0.99  molprobity     1  True   
  36    36  m80      -144.1   157.7  Favored     7    11  0.75    16  0.94  molprobity     1  True   
  37    37  Cg_endo   -60.7   138.5  Favored     7     8  0.48    11  0.80  molprobity     1  True   
  38    38  ?         101.5    -1.7  Favored     3     4  1.71     5  0.95  molprobity     1  True   
  39    39  m-20     -112.3   150.4  Favored     4     8  0.94    11  1.18  molprobity     1  True   
  40    40  t         -61.1   -23.6  Favored     5     6  1.07     8  1.10  molprobity     1  True   
  41    41  m-20      -99.3     4.6  Favored     4     8  1.12    11  1.23  molprobity     1  True   
  42    42  t80       -54.9   141.2  Favored     9    13  1.99    18  1.18  molprobity     1  True   
  43    43  ?        -158.3    39.8  Allowed     3     4  1.62     5  0.96  molprobity     ?  False  
  44    44  ?         -97.2   -56.2  Allowed     3     4  1.21     5  0.83  molprobity     ?  False  
  45    45  t          44.3    67.0  Allowed     9     7  0.87    10  1.24  molprobity     ?  False  
  46    46  mp0      -105.0    58.0  Allowed     8     9  0.95    12  1.08  molprobity     ?  False  
  47    47  mt         50.7    74.9  OUTLIER    11     8  0.89    11  1.09  molprobity     ?  False  
  48    48  t        -119.8    72.1  Allowed     9     7  0.80    10  1.20  molprobity     ?  False  
  49    49  ?         121.8   -42.4  Allowed     3     4  1.44     5  0.80  molprobity     ?  False  
  50    50  mt-30      53.6    77.0  Allowed     8     9  0.89    12  1.13  molprobity     ?  False  
  51    51  t70        50.1    30.5  Favored     4     8  1.10    11  1.15  molprobity     ?  False  
  52    52  tt0        49.0    40.6  Favored     6     9  1.66    12  1.23  molprobity     ?  False  
  53    53  OUTLIER  -117.2    66.9  Allowed     7     7  0.78    10  1.13  molprobity     ?  False  
  54    54  m-20     -114.8    45.4  Allowed     4     8  1.02    11  1.14  molprobity     ?  False  
  55    55  t70           ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
  56    56  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
  57    57  ?             ?       ?  ?           2     4  1.55     6  0.80  molprobity     ?  False  
  58    58  Cg_endo   -72.7    86.2  Allowed     7     8  0.55    11  0.46  molprobity     ?  False  
  59    59  mp       -117.4  -176.6  Favored    11     8  0.73    11  1.31  molprobity     ?  False  
  60    60  ?          97.5  -139.7  Favored     3     4  1.49     5  0.84  molprobity     ?  False  
  61    61  m          52.5    83.2  Allowed     5     6  0.95     8  1.40  molprobity     ?  False  
  62    62  ?         -90.0    61.9  Favored     3     4  1.50     5  0.85  molprobity     ?  False  
  63    63  p        -132.1   130.6  Favored     5     6  0.85     8  1.39  molprobity     ?  False  
  64    64  mt-10    -116.1    52.2  Allowed     6     9  1.57    12  1.29  molprobity     ?  False  
  65    65  ?        -135.6    42.4  Allowed     3     4  1.51     5  0.82  molprobity     ?  False  
  66    66  m120     -145.5   -59.3  Allowed     6     8  0.94    11  1.25  molprobity     ?  False  
  67    67  tptt     -141.3    53.6  Allowed    13     9  0.79    11  1.49  molprobity     ?  False  
  68    68  t        -144.4   161.2  Favored     9     7  0.78    10  1.13  molprobity     1  True   
  69    69  OUTLIER   -87.0    88.4  Favored    13     9  0.90    11  1.32  molprobity     1  True   
  70    70  mtm180    -51.1   148.7  Favored    13    11  1.32    14  1.58  molprobity     1  True   
  71    71  m         -77.6   131.8  Favored     7     7  0.90    10  1.09  molprobity     1  True   
  72    72  t         -50.0   154.3  Allowed     5     6  1.33     8  1.08  molprobity     1  True   
  73    73  t         -79.5   159.3  Favored     4     6  1.10     8  1.30  molprobity     1  True   
  74    74  mtm       -60.0   -26.2  Favored     9     8  1.03    10  1.22  molprobity     1  True   
  75    75  m-85      -88.1   -19.8  Favored     9    13  1.87    18  1.34  molprobity     1  True   
  76    76  ?          65.9   -89.0  Allowed     3     4  1.47     5  0.81  molprobity     1  True   
  77    77  ?        -106.6     2.8  Favored     5     5  0.97     7  1.59  molprobity     1  True   
  78    78  m-80     -121.2    22.8  Favored     6     8  0.98    11  1.41  molprobity     1  True   
  79    79  t         -58.9    80.3  OUTLIER     4     6  1.39     8  1.23  molprobity     1  True   
  80    80  p90       -54.0   -30.5  Favored     9    13  1.99    18  1.19  molprobity     1  True   
  81    81  OUTLIER   -77.0   162.7  Favored    13    11  1.18    14  1.40  molprobity     1  True   
  82    82  ptmt     -153.7    93.9  Allowed    13     9  0.82    11  1.40  molprobity     1  True   
  83    83  m-20     -116.7   153.1  Favored     6     8  0.95    12  1.18  molprobity     1  True   
  84    84  Cg_endo   -66.0   -73.0  OUTLIER     7     8  0.55    11  0.60  molprobity     1  True   
  85    85  t         -47.2   -29.2  Allowed     9     7  1.25    10  1.05  molprobity     1  True   
  86    86  t60       -66.0   -36.0  Favored     7    11  0.96    15  0.95  molprobity     1  True   
  87    87  m-85      -61.9   -24.6  Favored     9    12  1.81    16  0.97  molprobity     1  True   
  88    88  OUTLIER   -81.2   -26.8  Favored     8     9  1.03    12  1.07  molprobity     1  True   
  89    89  m170      -91.3   -38.6  Favored     7    11  0.89    15  1.01  molprobity     1  True   
  90    90  m-85     -114.2   135.3  Favored     9    12  1.79    16  1.05  molprobity     1  True   
  91    91  OUTLIER   -90.4   165.6  Favored     5     6  0.92     8  1.00  molprobity     1  True   
  92    92  m80      -142.1   159.6  Favored     7    11  0.83    16  0.88  molprobity     1  True   
  93    93  Cg_endo   -60.4   140.4  Favored     7     8  0.57    11  0.74  molprobity     1  True   
  94    94  ?          94.8    -0.3  Favored     3     4  1.59     5  0.98  molprobity     1  True   
  95    95  m-20     -106.2   146.8  Favored     4     8  1.00    11  1.07  molprobity     1  True   
  96    96  m         -55.5   -24.6  Favored     5     6  1.06     8  1.17  molprobity     1  True   
  97    97  m-20     -107.5    11.3  Favored     4     8  1.13    11  1.27  molprobity     1  True   
  98    98  t80       -54.3   138.4  Favored     9    13  1.97    18  1.22  molprobity     1  True   
  99    99  ?        -156.1    40.8  Allowed     3     4  1.64     5  0.97  molprobity     ?  False  
 100   100  ?         -93.2   -58.3  Allowed     3     4  1.16     5  0.67  molprobity     ?  False  
 101   101  t          32.6    59.8  Allowed     9     7  1.02    10  1.13  molprobity     ?  False  
 102   102  pt20     -143.1    78.5  Allowed     8     9  0.89    12  1.08  molprobity     ?  False  
 103   103  mt       -101.6    62.3  Allowed    11     8  0.81    11  0.95  molprobity     ?  False  
 104   104  t        -113.6    76.8  Allowed     9     7  0.77    10  1.19  molprobity     ?  False  
 105   105  ?          83.5    57.5  Favored     3     4  1.42     5  0.97  molprobity     ?  False  
 106   106  mt-30     -48.8   -63.4  Allowed     8     9  1.12    12  1.06  molprobity     ?  False  
 107   107  m-20     -149.5    35.0  Allowed     4     8  1.01    11  1.18  molprobity     ?  False  
 108   108  mt-10      52.1    40.6  Favored     6     9  1.64    12  1.18  molprobity     ?  False  
 109   109  OUTLIER  -115.6    66.9  Allowed     7     7  0.76    10  1.21  molprobity     ?  False  
 110   110  m-20     -115.5    87.8  Favored     4     8  1.01    11  1.15  molprobity     ?  False  
 111   111  t70           ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
 112   112  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 113   113  ?             ?       ?  ?           2     4  1.52     6  0.80  molprobity     ?  False  
 114   114  Cg_endo   -72.8    85.8  Allowed     7     8  0.55    11  0.46  molprobity     ?  False  
 115   115  mt       -134.1   100.0  Favored    11     8  0.74    11  1.31  molprobity     ?  False  
 116   116  ?        -137.2   129.1  Favored     3     4  1.57     5  0.83  molprobity     ?  False  
 117   117  OUTLIER  -138.1   -65.1  Allowed     5     6  0.81     8  1.48  molprobity     ?  False  
 118   118  ?         -62.8    87.6  OUTLIER     3     4  1.52     5  0.84  molprobity     ?  False  
 119   119  p        -139.2   103.1  Favored     5     6  0.86     8  1.39  molprobity     ?  False  
 120   120  mp0      -134.9  -175.8  Favored     6     9  1.59    12  1.27  molprobity     ?  False  
 121   121  ?          87.2    40.7  Favored     3     4  1.53     5  0.85  molprobity     ?  False  
 122   122  m-80     -148.5   -67.1  Allowed     6     8  0.95    11  1.28  molprobity     ?  False  
 123   123  mmtt     -132.2    45.1  Favored    13     9  0.78    11  1.46  molprobity     ?  False  
 124   124  p        -142.8   161.3  Favored     9     7  0.74    10  1.12  molprobity     1  True   
 125   125  ttmt      -84.8    82.7  Favored    13     9  0.91    11  1.32  molprobity     1  True   
 126   126  OUTLIER   -60.2   152.7  Favored    13    11  1.30    14  1.30  molprobity     1  True   
 127   127  t         -73.0   141.9  Favored     7     7  0.86    10  1.00  molprobity     1  True   
 128   128  OUTLIER   -54.5   157.9  Favored     5     6  1.14     8  1.09  molprobity     1  True   
 129   129  t         -79.4   156.4  Favored     4     6  1.08     8  1.31  molprobity     1  True   
 130   130  mtm       -57.3   -27.2  Favored     9     8  1.09    10  1.17  molprobity     1  True   
 131   131  m-85      -83.3   -23.9  Favored     9    13  1.88    18  1.35  molprobity     1  True   
 132   132  ?          69.0   -90.0  Allowed     3     4  1.49     5  0.85  molprobity     1  True   
 133   133  ?        -107.5     7.9  Favored     5     5  1.00     7  1.60  molprobity     1  True   
 134   134  m-80     -132.3    30.8  Favored     6     8  0.96    11  1.37  molprobity     1  True   
 135   135  t         -58.3    82.2  OUTLIER     4     6  1.37     8  1.27  molprobity     1  True   
 136   136  p90       -57.0   -29.5  Favored     9    13  1.98    18  1.18  molprobity     1  True   
 137   137  OUTLIER   -92.2   152.4  Favored    13    11  1.16    14  1.41  molprobity     1  True   
 138   138  pttt     -150.4   129.5  Favored    13     9  0.79    11  1.43  molprobity     1  True   
 139   139  m-20     -129.8   168.2  Favored     6     8  0.96    12  1.21  molprobity     1  True   
 140   140  Cg_endo   -71.1   -34.8  Favored     7     8  0.64    11  0.42  molprobity     1  True   
 141   141  t         -96.0   -22.1  Favored     9     7  1.02    10  1.09  molprobity     1  True   
 142   142  t60       -63.5   -38.3  Favored     7    11  0.91    15  0.96  molprobity     1  True   
 143   143  m-85      -55.9   -27.4  Favored     9    12  1.83    16  1.00  molprobity     1  True   
 144   144  OUTLIER   -83.3   -29.4  Favored     8     9  0.98    12  1.06  molprobity     1  True   
 145   145  m170      -80.6   -33.0  Favored     7    11  0.98    15  0.98  molprobity     1  True   
 146   146  m-85     -131.6   141.5  Favored     9    12  1.80    16  1.08  molprobity     1  True   
 147   147  m         -86.5   168.8  Favored     5     6  0.95     8  0.92  molprobity     1  True   
 148   148  m80      -143.1   158.9  Favored     7    11  0.79    16  0.93  molprobity     1  True   
 149   149  Cg_endo   -62.2   139.2  Favored     7     8  0.54    11  0.83  molprobity     1  True   
 150   150  ?         100.1     0.1  Favored     3     4  1.85     5  0.92  molprobity     1  True   
 151   151  t0       -115.9   157.0  Favored     4     8  0.95    11  1.23  molprobity     1  True   
 152   152  m         -63.6   -29.3  Favored     5     6  1.05     8  1.02  molprobity     1  True   
 153   153  m-20      -87.1    -2.7  Favored     4     8  1.14    11  1.18  molprobity     1  True   
 154   154  t80       -50.1   127.8  Favored     9    13  1.99    18  1.21  molprobity     1  True   
 155   155  ?        -145.5    31.4  Allowed     3     4  1.33     5  1.07  molprobity     ?  False  
 156   156  ?         -91.9   -56.9  Allowed     3     4  1.14     5  0.93  molprobity     ?  False  
 157   157  t          44.8    62.3  Allowed     9     7  0.84    10  1.26  molprobity     ?  False  
 158   158  mp0       -87.9    79.4  Favored     8     9  1.03    12  1.04  molprobity     ?  False  
 159   159  mt         51.9    69.5  Allowed    11     8  0.90    11  1.04  molprobity     ?  False  
 160   160  t        -113.2    69.8  Allowed     9     7  0.79    10  1.19  molprobity     ?  False  
 161   161  ?          99.8    54.2  Allowed     3     4  1.42     5  1.05  molprobity     ?  False  
 162   162  mm-40     -58.7   -39.0  Favored     8     9  1.10    12  0.91  molprobity     ?  False  
 163   163  OUTLIER  -109.8    37.2  Favored     4     8  1.02    11  1.11  molprobity     ?  False  
 164   164  tt0      -144.8    40.1  Allowed     6     9  1.58    12  1.21  molprobity     ?  False  
 165   165  OUTLIER  -128.6    63.4  Allowed     7     7  0.78    10  1.15  molprobity     ?  False  
 166   166  OUTLIER  -122.2    47.3  Allowed     4     8  1.02    11  1.16  molprobity     ?  False  
 167   167  t70           ?       ?  ?           4     7  1.02     8  1.33  molprobity     ?  False  
 168   168  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 169   169  ?             ?       ?  ?           2     4  1.53     6  0.80  molprobity     ?  False  
 170   170  Cg_endo   -72.7   127.6  Favored     7     8  0.52    11  0.45  molprobity     ?  False  
 171   171  tp       -124.0    92.9  Favored    11     8  0.76    11  1.31  molprobity     ?  False  
 172   172  ?        -129.2   164.5  Favored     3     4  1.51     5  0.84  molprobity     ?  False  
 173   173  m        -117.3   -65.4  Allowed     5     6  0.80     8  1.48  molprobity     ?  False  
 174   174  ?         -62.9    93.1  OUTLIER     3     4  1.54     5  0.85  molprobity     ?  False  
 175   175  OUTLIER  -119.7   138.9  Favored     5     6  0.85     8  1.42  molprobity     ?  False  
 176   176  mt-10    -117.5  -173.2  Favored     6     9  1.55    12  1.28  molprobity     ?  False  
 177   177  ?          76.8    41.2  Favored     3     4  1.53     5  0.85  molprobity     ?  False  
 178   178  m-80     -133.4   -61.0  Allowed     6     8  0.91    11  1.26  molprobity     ?  False  
 179   179  mptt     -137.0    43.1  Favored    13     9  0.74    11  1.45  molprobity     ?  False  
 180   180  p        -144.5   162.3  Favored     9     7  0.77    10  1.17  molprobity     1  True   
 181   181  mttm      -91.3    94.5  Favored    13     9  0.88    11  1.38  molprobity     1  True   
 182   182  OUTLIER   -65.4   173.4  Favored    13    11  1.26    14  1.47  molprobity     1  True   
 183   183  t         -90.1   141.4  Favored     7     7  0.98    10  0.89  molprobity     1  True   
 184   184  t         -64.7   120.5  Favored     5     6  1.12     8  0.72  molprobity     1  True   
 185   185  t         -34.9   148.7  OUTLIER     4     6  1.22     8  1.45  molprobity     1  True   
 186   186  mtm       -50.1   -30.8  Favored     9     8  1.09    10  1.29  molprobity     1  True   
 187   187  m-85      -85.5   -23.2  Favored     9    13  1.86    18  1.37  molprobity     1  True   
 188   188  ?          66.0   -87.4  Allowed     3     4  1.52     5  0.77  molprobity     1  True   
 189   189  ?        -105.3     1.2  Favored     5     5  1.07     7  1.54  molprobity     1  True   
 190   190  m-80     -121.8    22.6  Favored     6     8  0.91    11  1.37  molprobity     1  True   
 191   191  t         -47.2   140.2  Favored     4     6  1.33     8  1.20  molprobity     1  True   
 192   192  p90      -113.4   -37.6  Favored     9    13  1.88    18  1.21  molprobity     1  True   
 193   193  OUTLIER   -80.0   154.2  Favored    13    11  1.17    14  1.42  molprobity     1  True   
 194   194  OUTLIER  -146.0   100.0  Favored    13     9  0.84    11  1.35  molprobity     1  True   
 195   195  m-20     -115.0   167.0  Favored     6     8  0.97    12  1.19  molprobity     1  True   
 196   196  Cg_endo   -72.7   -30.1  Favored     7     8  0.68    11  0.45  molprobity     1  True   
 197   197  t         -96.9   -23.4  Favored     9     7  1.02    10  1.09  molprobity     1  True   
 198   198  t60       -60.9   -39.2  Favored     7    11  0.94    15  0.95  molprobity     1  True   
 199   199  m-85      -55.5   -29.2  Favored     9    12  1.83    16  1.01  molprobity     1  True   
 200   200  OUTLIER   -80.0   -31.1  Favored     8     9  0.98    12  1.04  molprobity     1  True   
 201   201  m170      -77.7   -33.4  Favored     7    11  0.95    15  0.98  molprobity     1  True   
 202   202  m-85     -132.4   137.8  Favored     9    12  1.78    16  1.04  molprobity     1  True   
 203   203  m         -79.4   168.2  Favored     5     6  1.02     8  1.01  molprobity     1  True   
 204   204  m80      -142.3   159.2  Favored     7    11  0.80    16  0.93  molprobity     1  True   
 205   205  Cg_endo   -62.9   137.4  Favored     7     8  0.48    11  0.75  molprobity     1  True   
 206   206  ?          98.2    -0.8  Favored     3     4  1.77     5  0.87  molprobity     1  True   
 207   207  OUTLIER  -121.0   151.6  Favored     4     8  0.91    11  1.24  molprobity     1  True   
 208   208  t         -58.5   -31.7  Favored     5     6  1.13     8  1.04  molprobity     1  True   
 209   209  m-20      -73.1   -14.8  Favored     4     8  1.15    11  1.12  molprobity     1  True   
 210   210  t80       -40.7   115.6  Allowed     9    13  2.00    18  1.24  molprobity     1  True   
 211   211  ?        -167.9    76.0  Allowed     3     4  1.77     5  0.89  molprobity     ?  False  
 212   212  ?        -145.9   -59.4  OUTLIER     3     4  1.63     5  0.76  molprobity     ?  False  
 213   213  p        -106.8    62.8  Allowed     9     7  0.92    10  1.02  molprobity     ?  False  
 214   214  mt-30    -134.9    93.0  Favored     8     9  0.88    12  1.21  molprobity     ?  False  
 215   215  mp       -105.4    67.3  Allowed    11     8  0.85    11  0.96  molprobity     ?  False  
 216   216  t        -117.4    67.8  Allowed     9     7  0.74    10  1.18  molprobity     ?  False  
 217   217  ?          89.0    52.3  Favored     3     4  1.42     5  0.98  molprobity     ?  False  
 218   218  mt-30     -47.0   -65.1  Allowed     8     9  1.14    12  1.08  molprobity     ?  False  
 219   219  t70      -152.5    49.0  Allowed     4     8  1.03    11  1.15  molprobity     ?  False  
 220   220  tt0        53.0    43.7  Favored     6     9  1.61    12  1.17  molprobity     ?  False  
 221   221  OUTLIER  -113.6    67.3  Allowed     7     7  0.79    10  1.13  molprobity     ?  False  
 222   222  OUTLIER  -114.2    94.7  Favored     4     8  1.04    11  1.11  molprobity     ?  False  
 223   223  t0            ?       ?  ?           4     7  1.02     8  1.35  molprobity     ?  False  
 224   224  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 225   225  ?             ?       ?  ?           2     4  1.58     6  0.80  molprobity     ?  False  
 226   226  Cg_endo   -72.7   138.6  Favored     7     8  0.55    11  0.45  molprobity     ?  False  
 227   227  mt       -121.5   -62.2  Allowed    11     8  0.74    11  1.32  molprobity     ?  False  
 228   228  ?         111.7   -42.9  Allowed     3     4  1.52     5  0.84  molprobity     ?  False  
 229   229  m        -138.5   -61.4  Allowed     5     6  0.80     8  1.48  molprobity     ?  False  
 230   230  ?         138.4  -176.3  Favored     3     4  1.51     5  0.84  molprobity     ?  False  
 231   231  m        -127.3    73.6  Allowed     5     6  0.84     8  1.42  molprobity     ?  False  
 232   232  OUTLIER  -149.5  -176.5  Favored     6     9  1.58    12  1.21  molprobity     ?  False  
 233   233  ?         -98.5   -94.3  Favored     3     4  1.55     5  0.82  molprobity     ?  False  
 234   234  m120     -119.7    64.9  Allowed     6     8  0.89    11  1.28  molprobity     ?  False  
 235   235  mptt       52.5    59.1  Favored    13     9  0.85    11  1.43  molprobity     ?  False  
 236   236  p        -136.4   161.2  Favored     9     7  0.77    10  1.12  molprobity     1  True   
 237   237  mtpt      -85.9    92.0  Favored    13     9  0.88    11  1.33  molprobity     1  True   
 238   238  OUTLIER   -63.3   151.4  Favored    13    11  1.28    14  1.32  molprobity     1  True   
 239   239  t         -71.6   149.6  Favored     7     7  0.93    10  1.03  molprobity     1  True   
 240   240  t         -62.2   161.8  Favored     5     6  1.08     8  0.99  molprobity     1  True   
 241   241  t         -77.1   165.9  Favored     4     6  1.10     8  1.29  molprobity     1  True   
 242   242  OUTLIER   -58.9   -36.5  Favored     9     8  0.97    10  1.18  molprobity     1  True   
 243   243  m-85      -84.8   -24.2  Favored     9    13  1.89    18  1.28  molprobity     1  True   
 244   244  ?          69.4   -83.8  Allowed     3     4  1.45     5  0.77  molprobity     1  True   
 245   245  ?        -101.5    -1.6  Favored     5     5  1.08     7  1.62  molprobity     1  True   
 246   246  m-80     -122.4    14.4  Favored     6     8  1.07    11  1.42  molprobity     1  True   
 247   247  t         -45.6    83.9  OUTLIER     4     6  1.50     8  1.32  molprobity     1  True   
 248   248  p90       -50.9   -34.9  Favored     9    13  1.97    18  1.16  molprobity     1  True   
 249   249  OUTLIER   -74.0   163.9  Favored    13    11  1.30    14  1.39  molprobity     1  True   
 250   250  pttt     -155.9    83.9  Allowed    13     9  0.79    11  1.40  molprobity     1  True   
 251   251  m120     -116.4   156.8  Favored     6     8  0.95    12  1.18  molprobity     1  True   
 252   252  Cg_endo   -69.0   -72.9  OUTLIER     7     8  0.57    11  0.63  molprobity     1  True   
 253   253  t         -45.2   -30.9  Allowed     9     7  1.35    10  1.06  molprobity     1  True   
 254   254  t60       -65.3   -36.4  Favored     7    11  1.00    15  0.93  molprobity     1  True   
 255   255  m-85      -58.3   -28.1  Favored     9    12  1.82    16  0.98  molprobity     1  True   
 256   256  OUTLIER   -78.4   -27.1  Favored     8     9  1.03    12  1.04  molprobity     1  True   
 257   257  m170      -82.2   -37.2  Favored     7    11  0.92    15  0.94  molprobity     1  True   
 258   258  m-85     -129.9   144.5  Favored     9    12  1.81    16  0.99  molprobity     1  True   
 259   259  m         -95.4   167.9  Favored     5     6  0.88     8  1.06  molprobity     1  True   
 260   260  m80      -140.7   157.7  Favored     7    11  0.83    16  0.93  molprobity     1  True   
 261   261  Cg_endo   -60.6   137.3  Favored     7     8  0.53    11  0.75  molprobity     1  True   
 262   262  ?          98.5    -0.6  Favored     3     4  1.69     5  0.92  molprobity     1  True   
 263   263  OUTLIER  -111.2   139.2  Favored     4     8  0.96    11  1.12  molprobity     1  True   
 264   264  t         -50.1   -26.5  Favored     5     6  1.25     8  1.16  molprobity     1  True   
 265   265  m-20      -96.9     3.1  Favored     4     8  1.17    11  1.30  molprobity     1  True   
 266   266  t80       -48.8   142.4  Favored     9    13  2.03    18  1.18  molprobity     1  True   
 267   267  ?        -167.8    48.8  Allowed     3     4  1.73     5  0.96  molprobity     ?  False  
 268   268  ?        -172.2    79.5  OUTLIER     3     4  1.64     5  0.65  molprobity     ?  False  
 269   269  t         -85.6    81.4  Allowed     9     7  0.95    10  1.02  molprobity     ?  False  
 270   270  mt-30    -115.9    90.0  Favored     8     9  0.88    12  1.26  molprobity     ?  False  
 271   271  mt       -118.9    70.5  Allowed    11     8  0.75    11  1.06  molprobity     ?  False  
 272   272  t        -103.5    84.4  Allowed     9     7  0.83    10  1.14  molprobity     ?  False  
 273   273  ?          74.2    60.2  Favored     3     4  1.41     5  1.03  molprobity     ?  False  
 274   274  mm-40     -57.0   -39.9  Favored     8     9  1.10    12  0.90  molprobity     ?  False  
 275   275  OUTLIER  -113.8    37.9  Favored     4     8  0.99    11  1.14  molprobity     ?  False  
 276   276  tt0      -137.4    59.9  Allowed     6     9  1.59    12  1.22  molprobity     ?  False  
 277   277  OUTLIER  -114.3    65.6  Allowed     7     7  0.81    10  1.14  molprobity     ?  False  
 278   278  m-20     -131.3    45.9  Favored     4     8  1.01    11  1.16  molprobity     ?  False  
 279   279  m-20          ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
 280   280  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 281   281  ?             ?       ?  ?           2     4  1.56     6  0.80  molprobity     ?  False  
 282   282  Cg_endo   -72.7  -171.3  Allowed     7     8  0.53    11  0.46  molprobity     ?  False  
 283   283  mt       -116.5    96.2  Favored    11     8  0.75    11  1.31  molprobity     ?  False  
 284   284  ?         105.0   166.4  Favored     3     4  1.50     5  0.83  molprobity     ?  False  
 285   285  t        -117.6   135.7  Favored     5     6  0.80     8  1.48  molprobity     ?  False  
 286   286  ?        -138.3   165.8  Favored     3     4  1.53     5  0.83  molprobity     ?  False  
 287   287  OUTLIER  -135.9   -59.5  Allowed     5     6  0.84     8  1.39  molprobity     ?  False  
 288   288  mt-10    -121.4    84.7  Favored     6     9  1.55    12  1.28  molprobity     ?  False  
 289   289  ?        -136.3    41.2  Allowed     3     4  1.52     5  0.83  molprobity     ?  False  
 290   290  m-80     -146.6   -66.2  Allowed     6     8  0.93    11  1.27  molprobity     ?  False  
 291   291  OUTLIER  -152.9    74.3  Allowed    13     9  0.83    11  1.47  molprobity     ?  False  
 292   292  t        -147.3   161.9  Favored     9     7  0.80    10  1.18  molprobity     1  True   
 293   293  OUTLIER   -88.9    93.0  Favored    13     9  0.96    11  1.29  molprobity     1  True   
 294   294  mtt180    -56.1   152.7  Favored    13    11  1.26    14  1.52  molprobity     1  True   
 295   295  m         -82.3   133.3  Favored     7     7  0.94    10  1.08  molprobity     1  True   
 296   296  p         -50.8   153.8  Allowed     5     6  1.31     8  1.04  molprobity     1  True   
 297   297  t         -78.2   155.7  Favored     4     6  1.13     8  1.30  molprobity     1  True   
 298   298  mtm       -60.1   -30.0  Favored     9     8  1.03    10  1.27  molprobity     1  True   
 299   299  m-85      -84.4   -24.2  Favored     9    13  1.89    18  1.31  molprobity     1  True   
 300   300  ?          67.2   -86.8  Allowed     3     4  1.46     5  0.83  molprobity     1  True   
 301   301  ?        -106.2    -4.5  Favored     5     5  0.96     7  1.51  molprobity     1  True   
 302   302  m-80     -112.4    16.6  Favored     6     8  0.96    11  1.39  molprobity     1  True   
 303   303  t         -46.7   137.3  Favored     4     6  1.44     8  1.21  molprobity     1  True   
 304   304  p90      -116.9   -39.1  Favored     9    13  1.92    18  1.26  molprobity     1  True   
 305   305  ptp85     -52.0   161.8  Allowed    13    11  1.21    14  1.45  molprobity     1  True   
 306   306  pttt     -128.3    55.4  Allowed    13     9  0.80    11  1.41  molprobity     1  True   
 307   307  m120     -102.2   140.6  Favored     6     8  1.00    12  1.09  molprobity     1  True   
 308   308  Cg_endo   -72.1   -72.9  OUTLIER     7     8  0.54    11  0.67  molprobity     1  True   
 309   309  t         -40.1   -28.0  OUTLIER     9     7  1.37    10  1.14  molprobity     1  True   
 310   310  t60       -64.2   -37.8  Favored     7    11  1.05    15  0.95  molprobity     1  True   
 311   311  m-85      -59.8   -30.8  Favored     9    12  1.85    16  0.98  molprobity     1  True   
 312   312  OUTLIER   -77.0   -26.5  Favored     8     9  1.02    12  1.09  molprobity     1  True   
 313   313  m170      -91.7   -38.1  Favored     7    11  0.87    15  0.99  molprobity     1  True   
 314   314  m-85     -113.1   138.5  Favored     9    12  1.77    16  1.08  molprobity     1  True   
 315   315  OUTLIER   -91.7   168.5  Favored     5     6  0.93     8  1.00  molprobity     1  True   
 316   316  m80      -141.5   159.6  Favored     7    11  0.80    16  1.00  molprobity     1  True   
 317   317  Cg_endo   -61.5   139.9  Favored     7     8  0.55    11  0.74  molprobity     1  True   
 318   318  ?          97.5    -2.5  Favored     3     4  1.59     5  0.98  molprobity     1  True   
 319   319  m-20     -107.7   144.7  Favored     4     8  0.95    11  1.11  molprobity     1  True   
 320   320  t         -55.2   -24.3  Favored     5     6  1.05     8  1.18  molprobity     1  True   
 321   321  m-20     -105.2     7.5  Favored     4     8  1.07    11  1.20  molprobity     1  True   
 322   322  t80       -45.8   120.2  Favored     9    13  2.06    18  1.12  molprobity     1  True   
 323   323  ?         -51.5   -36.3  Favored     3     4  1.59     5  0.96  molprobity     ?  False  
 324   324  ?          81.4    52.0  Favored     3     4  1.29     5  0.61  molprobity     ?  False  
 325   325  t          52.3    85.8  OUTLIER     9     7  0.79    10  1.23  molprobity     ?  False  
 326   326  OUTLIER  -166.0    79.5  Allowed     8     9  1.12    12  0.86  molprobity     ?  False  
 327   327  mt        -99.5    73.0  Allowed    11     8  0.92    11  0.97  molprobity     ?  False  
 328   328  t        -120.7    70.1  Allowed     9     7  0.78    10  1.19  molprobity     ?  False  
 329   329  ?          96.8    53.9  Allowed     3     4  1.43     5  0.95  molprobity     ?  False  
 330   330  mt-30     -49.2   -62.4  Allowed     8     9  1.13    12  1.04  molprobity     ?  False  
 331   331  t70      -135.8    34.8  Favored     4     8  1.00    11  1.18  molprobity     ?  False  
 332   332  tt0      -128.2    69.0  Allowed     6     9  1.57    12  1.22  molprobity     ?  False  
 333   333  OUTLIER  -111.4    64.6  Allowed     7     7  0.80    10  1.11  molprobity     ?  False  
 334   334  t70      -115.2    42.5  Favored     4     8  1.01    11  1.15  molprobity     ?  False  
 335   335  m-20          ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
 336   336  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 337   337  ?             ?       ?  ?           2     4  1.53     6  0.80  molprobity     ?  False  
 338   338  Cg_endo   -72.7   124.9  Favored     7     8  0.53    11  0.47  molprobity     ?  False  
 339   339  OUTLIER  -140.0    48.0  Allowed    11     8  0.73    11  1.32  molprobity     ?  False  
 340   340  ?        -109.8    80.0  Allowed     3     4  1.54     5  0.83  molprobity     ?  False  
 341   341  p        -142.7   105.9  Favored     5     6  0.82     8  1.49  molprobity     ?  False  
 342   342  ?        -140.1   127.7  Favored     3     4  1.55     5  0.83  molprobity     ?  False  
 343   343  OUTLIER  -143.4    96.1  Favored     5     6  0.84     8  1.40  molprobity     ?  False  
 344   344  OUTLIER  -142.8   163.7  Favored     6     9  1.59    12  1.29  molprobity     ?  False  
 345   345  ?        -153.4    47.6  Allowed     3     4  1.65     5  0.79  molprobity     ?  False  
 346   346  m-80     -143.9   -67.2  Allowed     6     8  0.94    11  1.28  molprobity     ?  False  
 347   347  mttt     -169.2    76.9  Allowed    13     9  0.90    11  1.45  molprobity     ?  False  
 348   348  p        -144.8   161.9  Favored     9     7  0.78    10  1.19  molprobity     1  True   
 349   349  OUTLIER   -77.1    89.9  Favored    13     9  0.90    11  1.30  molprobity     1  True   
 350   350  mtt85     -57.9   174.2  Allowed    13    11  1.11    14  1.54  molprobity     1  True   
 351   351  m         -88.5   134.3  Favored     7     7  0.92    10  1.12  molprobity     1  True   
 352   352  p         -62.9   121.1  Favored     5     6  1.09     8  0.99  molprobity     1  True   
 353   353  t         -43.5   145.7  Allowed     4     6  1.19     8  1.32  molprobity     1  True   
 354   354  ptt?      -46.7   -35.3  Favored     9     8  1.05    10  1.23  molprobity     1  True   
 355   355  m-85      -78.1   -29.5  Favored     9    13  1.89    18  1.29  molprobity     1  True   
 356   356  ?          64.5   -86.2  OUTLIER     3     4  1.53     5  0.77  molprobity     1  True   
 357   357  ?        -100.8     1.6  Favored     5     5  1.09     7  1.53  molprobity     1  True   
 358   358  m-80     -128.8    21.8  Favored     6     8  0.94    11  1.42  molprobity     1  True   
 359   359  t         -55.9    85.8  OUTLIER     4     6  1.34     8  1.22  molprobity     1  True   
 360   360  p90       -61.0   -26.8  Favored     9    13  1.96    18  1.14  molprobity     1  True   
 361   361  OUTLIER   -92.5   149.8  Favored    13    11  1.17    14  1.44  molprobity     1  True   
 362   362  OUTLIER  -148.4   127.5  Favored    13     9  0.84    11  1.35  molprobity     1  True   
 363   363  m-20     -128.6   166.5  Favored     6     8  0.97    12  1.21  molprobity     1  True   
 364   364  Cg_endo   -71.1   -33.8  Favored     7     8  0.63    11  0.43  molprobity     1  True   
 365   365  t         -96.8   -23.3  Favored     9     7  1.01    10  1.11  molprobity     1  True   
 366   366  t60       -62.6   -36.3  Favored     7    11  0.97    15  0.97  molprobity     1  True   
 367   367  m-85      -60.1   -26.4  Favored     9    12  1.82    16  0.99  molprobity     1  True   
 368   368  OUTLIER   -77.1   -30.5  Favored     8     9  1.01    12  1.02  molprobity     1  True   
 369   369  m170      -81.8   -35.4  Favored     7    11  0.90    15  0.99  molprobity     1  True   
 370   370  m-85     -128.7   139.4  Favored     9    12  1.78    16  1.05  molprobity     1  True   
 371   371  OUTLIER   -83.1   169.1  Favored     5     6  1.01     8  1.01  molprobity     1  True   
 372   372  m80      -144.8   153.7  Favored     7    11  0.85    16  0.95  molprobity     1  True   
 373   373  Cg_endo   -61.1   137.5  Favored     7     8  0.54    11  0.79  molprobity     1  True   
 374   374  ?         101.3    -1.2  Favored     3     4  1.72     5  0.96  molprobity     1  True   
 375   375  t0       -111.9   171.7  Favored     4     8  0.99    11  1.10  molprobity     1  True   
 376   376  OUTLIER   -76.7   -24.2  Favored     5     6  0.95     8  1.15  molprobity     1  True   
 377   377  m-20      -99.0     1.8  Favored     4     8  1.17    11  1.24  molprobity     1  True   
 378   378  t80       -47.3   136.8  Favored     9    13  2.01    18  1.21  molprobity     1  True   
 379   379  ?        -176.1    72.7  OUTLIER     3     4  1.76     5  0.95  molprobity     ?  False  
 380   380  ?        -170.1    52.6  Allowed     3     4  1.74     5  0.75  molprobity     ?  False  
 381   381  t         -72.9    73.8  Allowed     9     7  1.03    10  1.10  molprobity     ?  False  
 382   382  OUTLIER  -136.5    81.4  Allowed     8     9  0.97    12  1.09  molprobity     ?  False  
 383   383  mt       -107.4    73.5  Allowed    11     8  0.81    11  1.00  molprobity     ?  False  
 384   384  t        -115.9    79.7  Allowed     9     7  0.76    10  1.19  molprobity     ?  False  
 385   385  ?          78.3    59.0  Favored     3     4  1.42     5  0.97  molprobity     ?  False  
 386   386  mt-30     -48.1   -65.4  Allowed     8     9  1.11    12  1.08  molprobity     ?  False  
 387   387  m-20     -150.8    35.5  Allowed     4     8  1.02    11  1.18  molprobity     ?  False  
 388   388  mm-40    -141.8    54.2  Allowed     6     9  1.61    12  1.22  molprobity     ?  False  
 389   389  t        -132.7    62.6  Allowed     7     7  0.80    10  1.00  molprobity     ?  False  
 390   390  t70      -103.2    39.4  Allowed     4     8  1.05    11  1.07  molprobity     ?  False  
 391   391  p-10          ?       ?  ?           4     7  1.04     8  1.26  molprobity     ?  False  
 392   392  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 393   393  ?             ?       ?  ?           2     4  1.55     6  0.81  molprobity     ?  False  
 394   394  Cg_endo   -72.8   117.9  Favored     7     8  0.53    11  0.46  molprobity     ?  False  
 395   395  tp       -138.1    45.4  Favored    11     8  0.75    11  1.31  molprobity     ?  False  
 396   396  ?        -104.6   102.9  Favored     3     4  1.57     5  0.83  molprobity     ?  False  
 397   397  OUTLIER  -137.4   -60.3  Allowed     5     6  0.81     8  1.49  molprobity     ?  False  
 398   398  ?         124.7  -137.6  Favored     3     4  1.50     5  0.83  molprobity     ?  False  
 399   399  t        -134.5   119.3  Favored     5     6  0.86     8  1.43  molprobity     ?  False  
 400   400  mt-10    -139.4    56.7  Allowed     6     9  1.56    12  1.30  molprobity     ?  False  
 401   401  ?        -135.7    40.1  Allowed     3     4  1.55     5  0.84  molprobity     ?  False  
 402   402  m-80     -146.3   -67.1  Allowed     6     8  0.92    11  1.25  molprobity     ?  False  
 403   403  mttp     -140.5    67.4  Allowed    13     9  0.78    11  1.46  molprobity     ?  False  
 404   404  t        -146.3   160.7  Favored     9     7  0.80    10  1.13  molprobity     1  True   
 405   405  mtpp      -87.0    91.0  Favored    13     9  0.91    11  1.32  molprobity     1  True   
 406   406  OUTLIER   -58.3   151.6  Favored    13    11  1.14    14  1.52  molprobity     1  True   
 407   407  t         -81.1   136.7  Favored     7     7  0.90    10  0.97  molprobity     1  True   
 408   408  t         -51.7   149.0  Favored     5     6  1.29     8  1.08  molprobity     1  True   
 409   409  t         -71.1   163.4  Favored     4     6  1.16     8  1.31  molprobity     1  True   
 410   410  mtm       -62.9   -31.1  Favored     9     8  1.06    10  1.20  molprobity     1  True   
 411   411  m-85      -84.4   -23.5  Favored     9    13  1.91    18  1.25  molprobity     1  True   
 412   412  ?          70.3   -86.1  Allowed     3     4  1.47     5  0.83  molprobity     1  True   
 413   413  ?        -107.5    -4.3  Favored     5     5  1.00     7  1.56  molprobity     1  True   
 414   414  m-80     -111.5    16.5  Favored     6     8  0.99    11  1.37  molprobity     1  True   
 415   415  t         -47.6   141.0  Favored     4     6  1.39     8  1.18  molprobity     1  True   
 416   416  p90      -121.7   -39.9  Favored     9    13  1.90    18  1.28  molprobity     1  True   
 417   417  OUTLIER   -59.2   149.4  Favored    13    11  1.21    14  1.40  molprobity     1  True   
 418   418  OUTLIER  -125.6    74.7  Allowed    13     9  0.82    11  1.37  molprobity     1  True   
 419   419  m120     -112.4   148.2  Favored     6     8  0.97    12  1.15  molprobity     1  True   
 420   420  Cg_endo   -69.9   -73.5  OUTLIER     7     8  0.50    11  0.63  molprobity     1  True   
 421   421  t         -42.2   -27.8  Allowed     9     7  1.32    10  1.17  molprobity     1  True   
 422   422  t60       -66.5   -35.6  Favored     7    11  1.05    15  0.93  molprobity     1  True   
 423   423  m-85      -63.0   -28.8  Favored     9    12  1.82    16  0.96  molprobity     1  True   
 424   424  OUTLIER   -76.0   -26.6  Favored     8     9  1.01    12  1.06  molprobity     1  True   
 425   425  m170      -92.1   -35.5  Favored     7    11  0.91    15  0.99  molprobity     1  True   
 426   426  m-85     -117.5   145.0  Favored     9    12  1.78    16  1.10  molprobity     1  True   
 427   427  OUTLIER   -97.7   168.8  Favored     5     6  0.93     8  1.10  molprobity     1  True   
 428   428  m80      -140.5   158.3  Favored     7    11  0.81    16  1.01  molprobity     1  True   
 429   429  Cg_endo   -62.4   139.2  Favored     7     8  0.54    11  0.82  molprobity     1  True   
 430   430  ?          97.7    -3.1  Favored     3     4  1.66     5  0.96  molprobity     1  True   
 431   431  OUTLIER  -109.3   138.1  Favored     4     8  0.97    11  1.03  molprobity     1  True   
 432   432  OUTLIER   -47.1   -25.7  Allowed     5     6  1.20     8  1.33  molprobity     1  True   
 433   433  m-20     -106.1    13.0  Favored     4     8  1.07    11  1.26  molprobity     1  True   
 434   434  t80       -50.5   135.3  Favored     9    13  2.04    18  1.12  molprobity     1  True   
 435   435  ?         -89.0   -25.8  Favored     3     4  1.50     5  1.07  molprobity     ?  False  
 436   436  ?         116.3  -116.9  Favored     3     4  1.08     5  1.07  molprobity     ?  False  
 437   437  t        -146.0    92.8  Allowed     9     7  0.86    10  1.19  molprobity     ?  False  
 438   438  OUTLIER  -155.8    88.2  Allowed     8     9  1.01    12  1.11  molprobity     ?  False  
 439   439  mt       -100.2    69.8  Allowed    11     8  0.89    11  0.96  molprobity     ?  False  
 440   440  t        -119.7    74.5  Allowed     9     7  0.81    10  1.19  molprobity     ?  False  
 441   441  ?          92.0    56.9  Allowed     3     4  1.45     5  0.99  molprobity     ?  False  
 442   442  mt-30     -50.4   -63.6  Allowed     8     9  1.09    12  1.05  molprobity     ?  False  
 443   443  m-20     -148.3    34.7  Allowed     4     8  1.01    11  1.19  molprobity     ?  False  
 444   444  mm-40      52.0    56.3  Favored     6     9  1.63    12  1.19  molprobity     ?  False  
 445   445  t        -126.6    64.4  Allowed     7     7  0.83    10  0.97  molprobity     ?  False  
 446   446  OUTLIER  -103.2    39.6  Allowed     4     8  1.02    11  1.06  molprobity     ?  False  
 447   447  m-20          ?       ?  ?           4     7  1.02     8  1.33  molprobity     ?  False  
 448   448  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 449   449  ?             ?       ?  ?           2     4  1.55     6  0.80  molprobity     ?  False  
 450   450  Cg_endo   -72.7   130.7  Favored     7     8  0.54    11  0.47  molprobity     ?  False  
 451   451  mt       -140.0    83.9  Allowed    11     8  0.72    11  1.31  molprobity     ?  False  
 452   452  ?        -125.7   148.3  Favored     3     4  1.53     5  0.84  molprobity     ?  False  
 453   453  p        -122.2    39.7  Favored     5     6  0.80     8  1.49  molprobity     ?  False  
 454   454  ?          61.8  -146.4  Favored     3     4  1.53     5  0.82  molprobity     ?  False  
 455   455  p        -118.3   122.6  Favored     5     6  0.86     8  1.40  molprobity     ?  False  
 456   456  OUTLIER  -141.9   113.4  Favored     6     9  1.57    12  1.27  molprobity     ?  False  
 457   457  ?        -156.8    43.1  Allowed     3     4  1.68     5  0.76  molprobity     ?  False  
 458   458  m-80     -132.2   -65.2  Allowed     6     8  0.91    11  1.29  molprobity     ?  False  
 459   459  OUTLIER  -151.3    72.0  Allowed    13     9  0.82    11  1.50  molprobity     ?  False  
 460   460  p        -145.0   160.2  Favored     9     7  0.76    10  1.18  molprobity     1  True   
 461   461  mmmt      -84.4    82.9  Favored    13     9  0.91    11  1.32  molprobity     1  True   
 462   462  OUTLIER   -56.6   152.3  Favored    13    11  1.31    14  1.35  molprobity     1  True   
 463   463  m         -72.3   137.3  Favored     7     7  0.84    10  1.03  molprobity     1  True   
 464   464  p         -49.3   160.2  Allowed     5     6  1.23     8  1.08  molprobity     1  True   
 465   465  t         -83.3   157.8  Favored     4     6  1.13     8  1.34  molprobity     1  True   
 466   466  ptp       -61.6   -36.4  Favored     9     8  1.03    10  1.11  molprobity     1  True   
 467   467  m-85      -77.8   -33.0  Favored     9    13  1.92    18  1.24  molprobity     1  True   
 468   468  ?          76.0   -89.2  Allowed     3     4  1.60     5  0.80  molprobity     1  True   
 469   469  ?        -106.5    -4.4  Favored     5     5  1.04     7  1.58  molprobity     1  True   
 470   470  m-80     -112.8    16.6  Favored     6     8  1.03    11  1.35  molprobity     1  True   
 471   471  t         -45.9   140.1  Favored     4     6  1.42     8  1.24  molprobity     1  True   
 472   472  p90      -116.9   -39.0  Favored     9    13  1.93    18  1.27  molprobity     1  True   
 473   473  ptp85     -55.2   158.8  Favored    13    11  1.20    14  1.47  molprobity     1  True   
 474   474  pttp     -128.1    62.3  Allowed    13     9  0.81    11  1.41  molprobity     1  True   
 475   475  OUTLIER  -114.3   145.2  Favored     6     8  0.99    12  1.16  molprobity     1  True   
 476   476  Cg_endo   -75.2   -59.9  OUTLIER     7     8  0.54    11  0.56  molprobity     1  True   
 477   477  p         -43.6   -33.2  Allowed     9     7  1.34    10  0.99  molprobity     1  True   
 478   478  t60       -66.5   -36.3  Favored     7    11  1.01    15  0.94  molprobity     1  True   
 479   479  m-85      -61.9   -29.7  Favored     9    12  1.80    16  0.96  molprobity     1  True   
 480   480  mp0       -77.2   -29.2  Favored     8     9  0.97    12  1.04  molprobity     1  True   
 481   481  m170      -86.1   -33.0  Favored     7    11  0.96    15  0.95  molprobity     1  True   
 482   482  m-85     -124.1   143.4  Favored     9    12  1.78    16  1.08  molprobity     1  True   
 483   483  OUTLIER   -89.2   170.0  Favored     5     6  0.95     8  0.97  molprobity     1  True   
 484   484  m80      -143.0   153.1  Favored     7    11  0.80    16  0.95  molprobity     1  True   
 485   485  Cg_endo   -63.0   140.6  Favored     7     8  0.49    11  0.82  molprobity     1  True   
 486   486  ?          95.9    -0.2  Favored     3     4  1.67     5  0.99  molprobity     1  True   
 487   487  OUTLIER  -112.0   144.4  Favored     4     8  0.97    11  1.16  molprobity     1  True   
 488   488  m         -52.1   -26.3  Favored     5     6  1.15     8  1.21  molprobity     1  True   
 489   489  m-20     -103.4    10.4  Favored     4     8  1.12    11  1.24  molprobity     1  True   
 490   490  t80       -50.9   137.2  Favored     9    13  2.01    18  1.14  molprobity     1  True   
 491   491  ?        -140.1    23.1  Favored     3     4  1.62     5  1.14  molprobity     ?  False  
 492   492  ?         -77.8   -29.5  Favored     3     4  1.60     5  0.70  molprobity     ?  False  
 493   493  p         -73.6    67.3  Allowed     9     7  1.02    10  1.04  molprobity     ?  False  
 494   494  mp0       -92.2    60.7  Favored     8     9  1.09    12  0.96  molprobity     ?  False  
 495   495  mt         51.6    70.2  Allowed    11     8  0.89    11  1.03  molprobity     ?  False  
 496   496  t        -120.6    61.5  Allowed     9     7  0.78    10  1.21  molprobity     ?  False  
 497   497  ?         134.8   -43.1  Allowed     3     4  1.40     5  0.83  molprobity     ?  False  
 498   498  mt-30      53.9    44.8  Favored     8     9  0.85    12  1.19  molprobity     ?  False  
 499   499  t0         53.6    38.3  Favored     4     8  1.09    11  1.10  molprobity     ?  False  
 500   500  tt0      -128.5    41.1  Favored     6     9  1.59    12  1.20  molprobity     ?  False  
 501   501  OUTLIER  -116.2    66.4  Allowed     7     7  0.79    10  1.16  molprobity     ?  False  
 502   502  m-20     -128.3    85.8  Favored     4     8  1.01    11  1.17  molprobity     ?  False  
 503   503  t70           ?       ?  ?           4     7  1.01     8  1.33  molprobity     ?  False  
 504   504  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 505   505  ?             ?       ?  ?           2     4  1.52     6  0.79  molprobity     ?  False  
 506   506  Cg_endo   -72.8   148.2  Favored     7     8  0.52    11  0.47  molprobity     ?  False  
 507   507  OUTLIER  -136.8   170.3  Favored    11     8  0.74    11  1.32  molprobity     ?  False  
 508   508  ?         -72.2   125.7  Favored     3     4  1.55     5  0.84  molprobity     ?  False  
 509   509  p        -129.6   -65.6  Allowed     5     6  0.81     8  1.47  molprobity     ?  False  
 510   510  ?         -69.3   129.0  Favored     3     4  1.54     5  0.86  molprobity     ?  False  
 511   511  m        -133.1   126.7  Favored     5     6  0.84     8  1.43  molprobity     ?  False  
 512   512  mt-10    -139.0    62.3  Allowed     6     9  1.54    12  1.29  molprobity     ?  False  
 513   513  ?        -146.0    39.2  Allowed     3     4  1.62     5  0.77  molprobity     ?  False  
 514   514  m-20     -125.5   -58.6  Allowed     6     8  0.93    11  1.25  molprobity     ?  False  
 515   515  OUTLIER  -123.8    59.5  Allowed    13     9  0.72    11  1.52  molprobity     ?  False  
 516   516  t        -144.5   147.4  Favored     9     7  0.76    10  1.13  molprobity     1  True   
 517   517  OUTLIER   -86.7    66.9  Favored    13     9  0.84    11  1.35  molprobity     1  True   
 518   518  ptt-85    -58.3   156.4  Favored    13    11  1.14    14  1.36  molprobity     1  True   
 519   519  t         -74.9   145.8  Favored     7     7  0.89    10  0.92  molprobity     1  True   
 520   520  OUTLIER   -51.7   169.1  Allowed     5     6  1.21     8  1.02  molprobity     1  True   
 521   521  t         -85.4   158.8  Favored     4     6  1.08     8  1.44  molprobity     1  True   
 522   522  mtm       -63.1   -33.6  Favored     9     8  1.09    10  1.26  molprobity     1  True   
 523   523  m-85      -94.7   -20.1  Favored     9    13  1.88    18  1.34  molprobity     1  True   
 524   524  ?          58.4   -95.6  OUTLIER     3     4  1.56     5  0.77  molprobity     1  True   
 525   525  ?         -86.9   -21.2  Favored     5     5  1.18     7  1.29  molprobity     1  True   
 526   526  m-80      -94.2     6.8  Favored     6     8  1.07    11  1.23  molprobity     1  True   
 527   527  t         -43.0   134.4  Favored     4     6  1.36     8  1.27  molprobity     1  True   
 528   528  p90      -120.0   -35.7  Favored     9    13  1.92    18  1.24  molprobity     1  True   
 529   529  ptm180    -48.7   163.8  Allowed    13    11  1.38    14  1.45  molprobity     1  True   
 530   530  pttm     -129.8    56.8  Allowed    13     9  0.80    11  1.41  molprobity     1  True   
 531   531  m-20     -109.4   144.2  Favored     6     8  1.01    12  1.14  molprobity     1  True   
 532   532  Cg_endo   -73.9   -73.5  OUTLIER     7     8  0.53    11  0.67  molprobity     1  True   
 533   533  t         -41.2   -27.1  Allowed     9     7  1.38    10  1.13  molprobity     1  True   
 534   534  t60       -63.6   -37.4  Favored     7    11  1.06    15  0.91  molprobity     1  True   
 535   535  m-85      -60.6   -31.6  Favored     9    12  1.83    16  0.98  molprobity     1  True   
 536   536  OUTLIER   -80.2   -27.2  Favored     8     9  1.03    12  1.06  molprobity     1  True   
 537   537  m170      -84.8   -29.9  Favored     7    11  0.94    15  1.01  molprobity     1  True   
 538   538  m-85     -124.4   137.7  Favored     9    12  1.78    16  1.08  molprobity     1  True   
 539   539  OUTLIER   -77.8   153.8  Favored     5     6  1.04     8  0.93  molprobity     1  True   
 540   540  m80      -134.3   157.3  Favored     7    11  0.81    16  0.91  molprobity     1  True   
 541   541  Cg_endo   -61.5   136.7  Favored     7     8  0.50    11  0.80  molprobity     1  True   
 542   542  ?          99.3     2.0  Favored     3     4  1.74     5  0.93  molprobity     1  True   
 543   543  OUTLIER  -112.5   141.7  Favored     4     8  0.95    11  1.15  molprobity     1  True   
 544   544  m         -52.8   -25.9  Favored     5     6  1.17     8  1.14  molprobity     1  True   
 545   545  m-20      -98.1    -3.5  Favored     4     8  1.15    11  1.20  molprobity     1  True   
 546   546  t80       -45.2   141.8  Favored     9    13  2.03    18  1.19  molprobity     1  True   
 547   547  ?        -172.8    54.2  Allowed     3     4  1.76     5  0.92  molprobity     ?  False  
 548   548  ?        -110.2   -65.2  Allowed     3     4  1.34     5  0.74  molprobity     ?  False  
 549   549  t          45.6    61.4  Allowed     9     7  0.86    10  1.22  molprobity     ?  False  
 550   550  mp0      -101.7    92.3  Favored     8     9  1.03    12  1.01  molprobity     ?  False  
 551   551  mt       -111.3    71.1  Allowed    11     8  0.82    11  1.01  molprobity     ?  False  
 552   552  t        -115.4    77.2  Allowed     9     7  0.77    10  1.20  molprobity     ?  False  
 553   553  ?          87.6    57.5  Allowed     3     4  1.41     5  0.97  molprobity     ?  False  
 554   554  mt-30     -49.9   -62.8  Allowed     8     9  1.11    12  1.03  molprobity     ?  False  
 555   555  t70      -148.3    34.4  Allowed     4     8  1.01    11  1.16  molprobity     ?  False  
 556   556  tt0      -140.0    54.0  Allowed     6     9  1.58    12  1.22  molprobity     ?  False  
 557   557  OUTLIER  -112.5    66.4  Allowed     7     7  0.79    10  1.12  molprobity     ?  False  
 558   558  OUTLIER  -115.8    42.8  Favored     4     8  1.02    11  1.16  molprobity     ?  False  
 559   559  OUTLIER       ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
 560   560  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 561   561  ?             ?       ?  ?           2     4  1.55     6  0.79  molprobity     ?  False  
 562   562  Cg_endo   -72.8   140.3  Favored     7     8  0.52    11  0.46  molprobity     ?  False  
 563   563  tp         52.8    80.6  Allowed    11     8  0.85    11  1.28  molprobity     ?  False  
 564   564  ?        -137.7   142.4  Favored     3     4  1.54     5  0.83  molprobity     ?  False  
 565   565  t        -142.8    46.4  Allowed     5     6  0.80     8  1.49  molprobity     ?  False  
 566   566  ?          75.7   103.5  Allowed     3     4  1.53     5  0.84  molprobity     ?  False  
 567   567  t        -122.9    84.7  Favored     5     6  0.87     8  1.41  molprobity     ?  False  
 568   568  mt-10    -139.6    44.0  Allowed     6     9  1.56    12  1.28  molprobity     ?  False  
 569   569  ?        -147.5    40.5  Allowed     3     4  1.60     5  0.78  molprobity     ?  False  
 570   570  m120     -128.3   -60.0  Allowed     6     8  0.91    11  1.27  molprobity     ?  False  
 571   571  mppt?    -133.6    48.1  Favored    13     9  0.76    11  1.47  molprobity     ?  False  
 572   572  p        -140.4   161.5  Favored     9     7  0.77    10  1.15  molprobity     1  True   
 573   573  mttt      -91.3    94.2  Favored    13     9  0.90    11  1.37  molprobity     1  True   
 574   574  OUTLIER   -70.8   174.2  Favored    13    11  1.25    14  1.41  molprobity     1  True   
 575   575  m         -94.7   136.0  Favored     7     7  0.86    10  1.08  molprobity     1  True   
 576   576  t         -58.0   122.8  Favored     5     6  1.06     8  0.87  molprobity     1  True   
 577   577  t         -42.4   148.6  Allowed     4     6  1.17     8  1.40  molprobity     1  True   
 578   578  ptt?      -50.0   -29.1  Favored     9     8  1.07    10  1.20  molprobity     1  True   
 579   579  m-85      -84.6   -23.8  Favored     9    13  1.86    18  1.37  molprobity     1  True   
 580   580  ?          64.0   -88.6  OUTLIER     3     4  1.62     5  0.74  molprobity     1  True   
 581   581  ?        -101.5     3.8  Favored     5     5  1.15     7  1.54  molprobity     1  True   
 582   582  m-80     -130.9    27.0  Favored     6     8  0.98    11  1.35  molprobity     1  True   
 583   583  t         -57.4    84.9  OUTLIER     4     6  1.33     8  1.28  molprobity     1  True   
 584   584  p90       -63.6   -27.9  Favored     9    13  1.96    18  1.17  molprobity     1  True   
 585   585  OUTLIER   -73.7   162.6  Favored    13    11  1.21    14  1.41  molprobity     1  True   
 586   586  OUTLIER  -157.9    91.8  Allowed    13     9  0.88    11  1.49  molprobity     1  True   
 587   587  m-20     -108.6   166.8  Favored     6     8  1.05    12  1.12  molprobity     1  True   
 588   588  Cg_endo   -74.8   -32.3  Favored     7     8  0.70    11  0.47  molprobity     1  True   
 589   589  t         -94.5   -22.6  Favored     9     7  1.03    10  1.08  molprobity     1  True   
 590   590  t60       -61.6   -37.0  Favored     7    11  0.85    15  0.97  molprobity     1  True   
 591   591  m-85      -56.4   -27.6  Favored     9    12  1.80    16  1.00  molprobity     1  True   
 592   592  OUTLIER   -83.7   -30.5  Favored     8     9  0.97    12  1.08  molprobity     1  True   
 593   593  m170      -76.2   -32.9  Favored     7    11  0.96    15  1.00  molprobity     1  True   
 594   594  m-85     -132.6   138.5  Favored     9    12  1.79    16  1.03  molprobity     1  True   
 595   595  m         -78.8   165.4  Favored     5     6  1.04     8  1.04  molprobity     1  True   
 596   596  m80      -143.0   160.9  Favored     7    11  0.83    16  0.95  molprobity     1  True   
 597   597  Cg_endo   -61.3   137.5  Favored     7     8  0.52    11  0.70  molprobity     1  True   
 598   598  ?          97.1    -1.9  Favored     3     4  1.72     5  0.90  molprobity     1  True   
 599   599  m-20     -114.8   149.6  Favored     4     8  0.94    11  1.20  molprobity     1  True   
 600   600  p         -56.9   -32.1  Favored     5     6  1.08     8  1.08  molprobity     1  True   
 601   601  m-20      -80.2    -8.1  Favored     4     8  1.12    11  1.19  molprobity     1  True   
 602   602  t80       -40.4   113.8  Allowed     9    13  2.04    18  1.21  molprobity     1  True   
 603   603  ?        -165.2    77.9  Allowed     3     4  1.70     5  0.98  molprobity     ?  False  
 604   604  ?        -155.8   -62.5  OUTLIER     3     4  1.72     5  0.71  molprobity     ?  False  
 605   605  p        -109.3    70.5  Allowed     9     7  0.95    10  1.05  molprobity     ?  False  
 606   606  mt-30    -131.5    86.1  Favored     8     9  0.85    12  1.22  molprobity     ?  False  
 607   607  mt       -106.4    67.9  Allowed    11     8  0.85    11  0.99  molprobity     ?  False  
 608   608  p        -113.8    66.1  Allowed     9     7  0.81    10  1.09  molprobity     ?  False  
 609   609  ?         102.2    54.8  Allowed     3     4  1.42     5  1.04  molprobity     ?  False  
 610   610  mm-40     -57.0   -39.1  Favored     8     9  1.11    12  0.90  molprobity     ?  False  
 611   611  OUTLIER  -111.2    37.3  Favored     4     8  1.03    11  1.12  molprobity     ?  False  
 612   612  tt0      -148.9    49.4  Allowed     6     9  1.61    12  1.23  molprobity     ?  False  
 613   613  OUTLIER  -113.2    66.5  Allowed     7     7  0.79    10  1.14  molprobity     ?  False  
 614   614  t0       -143.2    40.3  Allowed     4     8  1.03    11  1.17  molprobity     ?  False  
 615   615  t70           ?       ?  ?           4     7  0.99     8  1.34  molprobity     ?  False  
 616   616  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 617   617  ?             ?       ?  ?           2     4  1.56     6  0.80  molprobity     ?  False  
 618   618  Cg_endo   -72.7    94.5  Allowed     7     8  0.56    11  0.46  molprobity     ?  False  
 619   619  OUTLIER  -134.5    93.5  Favored    11     8  0.74    11  1.31  molprobity     ?  False  
 620   620  ?        -110.4   154.4  Favored     3     4  1.52     5  0.83  molprobity     ?  False  
 621   621  m        -143.3    83.1  Allowed     5     6  0.81     8  1.48  molprobity     ?  False  
 622   622  ?         110.8    99.4  Favored     3     4  1.52     5  0.84  molprobity     ?  False  
 623   623  t        -141.8   105.5  Favored     5     6  0.85     8  1.38  molprobity     ?  False  
 624   624  mt-10    -141.6  -172.1  Favored     6     9  1.58    12  1.27  molprobity     ?  False  
 625   625  ?          89.3    41.4  Favored     3     4  1.49     5  0.83  molprobity     ?  False  
 626   626  m-80     -135.4   -64.8  Allowed     6     8  0.90    11  1.29  molprobity     ?  False  
 627   627  OUTLIER  -140.1    47.7  Allowed    13     9  0.79    11  1.45  molprobity     ?  False  
 628   628  p        -140.7   161.7  Favored     9     7  0.76    10  1.12  molprobity     1  True   
 629   629  OUTLIER   -83.5    87.6  Favored    13     9  0.87    11  1.33  molprobity     1  True   
 630   630  OUTLIER   -61.9   151.0  Favored    13    11  1.29    14  1.35  molprobity     1  True   
 631   631  t         -71.7   141.8  Favored     7     7  0.84    10  0.92  molprobity     1  True   
 632   632  OUTLIER   -54.3   157.5  Favored     5     6  1.14     8  1.12  molprobity     1  True   
 633   633  t         -82.0   154.4  Favored     4     6  1.09     8  1.29  molprobity     1  True   
 634   634  ptt?      -54.6   -28.8  Favored     9     8  1.10    10  1.26  molprobity     1  True   
 635   635  m-85      -82.6   -29.0  Favored     9    13  1.92    18  1.31  molprobity     1  True   
 636   636  ?          72.2   -93.8  Allowed     3     4  1.57     5  0.86  molprobity     1  True   
 637   637  ?        -103.4    -0.2  Favored     5     5  1.09     7  1.51  molprobity     1  True   
 638   638  m-80     -121.4    24.3  Favored     6     8  0.96    11  1.34  molprobity     1  True   
 639   639  t         -59.4    81.8  OUTLIER     4     6  1.31     8  1.24  molprobity     1  True   
 640   640  p90       -61.9   -25.4  Favored     9    13  1.98    18  1.16  molprobity     1  True   
 641   641  ptp180    -87.5   157.9  Favored    13    11  1.30    14  1.38  molprobity     1  True   
 642   642  OUTLIER  -156.7   124.0  Favored    13     9  0.82    11  1.45  molprobity     1  True   
 643   643  m-20     -126.1   166.9  Favored     6     8  1.00    12  1.16  molprobity     1  True   
 644   644  Cg_endo   -71.1   -33.5  Favored     7     8  0.65    11  0.44  molprobity     1  True   
 645   645  t         -96.3   -24.7  Favored     9     7  1.02    10  1.10  molprobity     1  True   
 646   646  t60       -60.5   -39.0  Favored     7    11  0.94    15  0.93  molprobity     1  True   
 647   647  m-85      -56.5   -28.6  Favored     9    12  1.84    16  0.98  molprobity     1  True   
 648   648  OUTLIER   -80.0   -32.2  Favored     8     9  0.98    12  1.03  molprobity     1  True   
 649   649  m170      -78.2   -35.2  Favored     7    11  0.95    15  0.94  molprobity     1  True   
 650   650  m-85     -130.2   144.3  Favored     9    12  1.80    16  1.03  molprobity     1  True   
 651   651  m         -91.4   171.5  Favored     5     6  0.94     8  1.02  molprobity     1  True   
 652   652  m80      -143.5   159.2  Favored     7    11  0.79    16  0.98  molprobity     1  True   
 653   653  Cg_endo   -61.1   139.3  Favored     7     8  0.52    11  0.78  molprobity     1  True   
 654   654  ?          99.7    -1.0  Favored     3     4  1.78     5  0.92  molprobity     1  True   
 655   655  m-20     -115.3   153.8  Favored     4     8  0.91    11  1.25  molprobity     1  True   
 656   656  OUTLIER   -63.5   -29.1  Favored     5     6  1.05     8  1.05  molprobity     1  True   
 657   657  m-20      -85.9    -1.8  Favored     4     8  1.15    11  1.25  molprobity     1  True   
 658   658  t80       -41.3   112.8  Allowed     9    13  2.06    18  1.23  molprobity     1  True   
 659   659  ?         -57.3   -49.2  Favored     3     4  1.49     5  1.01  molprobity     ?  False  
 660   660  ?         126.1    58.2  Allowed     3     4  1.43     5  0.55  molprobity     ?  False  
 661   661  t          44.8    89.3  OUTLIER     9     7  0.83    10  1.28  molprobity     ?  False  
 662   662  OUTLIER  -144.4    91.5  Favored     8     9  0.94    12  0.99  molprobity     ?  False  
 663   663  mt       -111.2    74.2  Allowed    11     8  0.84    11  1.03  molprobity     ?  False  
 664   664  t        -120.7    74.2  Allowed     9     7  0.78    10  1.21  molprobity     ?  False  
 665   665  ?         112.4   -41.6  Favored     3     4  1.43     5  0.82  molprobity     ?  False  
 666   666  mt-30      54.5    37.5  Favored     8     9  0.87    12  1.15  molprobity     ?  False  
 667   667  t70        51.4    38.1  Favored     4     8  1.11    11  1.13  molprobity     ?  False  
 668   668  tm-20    -123.1    42.1  Favored     6     9  1.57    12  1.22  molprobity     ?  False  
 669   669  OUTLIER  -120.3    65.2  Allowed     7     7  0.73    10  1.15  molprobity     ?  False  
 670   670  t70        52.7    39.1  Favored     4     8  1.09    11  1.10  molprobity     ?  False  
 671   671  t70           ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
 672   672  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 673   673  ?             ?       ?  ?           2     4  1.57     6  0.80  molprobity     ?  False  
 674   674  Cg_endo   -72.8   165.3  Favored     7     8  0.55    11  0.46  molprobity     ?  False  
 675   675  tp       -140.7   -59.9  Allowed    11     8  0.73    11  1.32  molprobity     ?  False  
 676   676  ?         125.0   129.6  Favored     3     4  1.52     5  0.83  molprobity     ?  False  
 677   677  p        -142.7   126.0  Favored     5     6  0.83     8  1.48  molprobity     ?  False  
 678   678  ?          70.5   157.4  Favored     3     4  1.54     5  0.84  molprobity     ?  False  
 679   679  OUTLIER  -142.2    39.1  Allowed     5     6  0.87     8  1.40  molprobity     ?  False  
 680   680  OUTLIER  -149.4  -172.1  Favored     6     9  1.60    12  1.28  molprobity     ?  False  
 681   681  ?         -66.8   -86.8  OUTLIER     3     4  1.52     5  0.85  molprobity     ?  False  
 682   682  m120     -129.3    64.2  Allowed     6     8  0.93    11  1.26  molprobity     ?  False  
 683   683  OUTLIER    52.8    66.3  Allowed    13     9  0.86    11  1.44  molprobity     ?  False  
 684   684  p        -138.1   161.6  Favored     9     7  0.78    10  1.14  molprobity     1  True   
 685   685  mttm      -79.9    94.5  Favored    13     9  0.91    11  1.34  molprobity     1  True   
 686   686  OUTLIER   -68.5   153.8  Favored    13    11  1.12    14  1.36  molprobity     1  True   
 687   687  t         -79.0   142.8  Favored     7     7  0.92    10  0.90  molprobity     1  True   
 688   688  p         -56.3   155.2  Favored     5     6  1.18     8  1.10  molprobity     1  True   
 689   689  OUTLIER   -79.3   156.3  Favored     4     6  1.11     8  1.28  molprobity     1  True   
 690   690  ptt?      -58.5   -35.8  Favored     9     8  1.05    10  1.13  molprobity     1  True   
 691   691  m-85      -71.9   -39.1  Favored     9    13  1.94    18  1.25  molprobity     1  True   
 692   692  ?          80.5   -86.9  Allowed     3     4  1.55     5  0.80  molprobity     1  True   
 693   693  ?        -104.1    -0.7  Favored     5     5  1.07     7  1.50  molprobity     1  True   
 694   694  m-80     -123.3    13.6  Favored     6     8  0.94    11  1.44  molprobity     1  True   
 695   695  t         -49.4   152.6  Allowed     4     6  1.26     8  1.24  molprobity     1  True   
 696   696  p90      -101.9   -29.6  Favored     9    13  1.91    18  1.18  molprobity     1  True   
 697   697  OUTLIER    23.6   107.5  OUTLIER    13    11  1.25    14  1.59  molprobity     1  True   
 698   698  OUTLIER  -104.2    -2.9  Favored    13     9  0.91    11  1.35  molprobity     1  True   
 699   699  m-20     -130.3   157.6  Favored     6     8  1.00    12  1.16  molprobity     1  True   
 700   700  Cg_endo   -75.2   -44.3  Allowed     7     8  0.55    11  0.49  molprobity     1  True   
 701   701  t         -47.7   -31.5  Favored     9     7  1.26    10  1.02  molprobity     1  True   
 702   702  t60       -63.6   -32.0  Favored     7    11  0.88    15  0.97  molprobity     1  True   
 703   703  m-85      -63.2   -24.4  Favored     9    12  1.77    16  0.97  molprobity     1  True   
 704   704  OUTLIER   -81.9   -28.9  Favored     8     9  0.96    12  1.07  molprobity     1  True   
 705   705  m170      -83.4   -32.6  Favored     7    11  0.98    15  1.00  molprobity     1  True   
 706   706  m-85     -131.0   143.5  Favored     9    12  1.81    16  1.03  molprobity     1  True   
 707   707  m         -86.5   163.7  Favored     5     6  1.00     8  1.00  molprobity     1  True   
 708   708  m80      -139.8   159.4  Favored     7    11  0.80    16  0.99  molprobity     1  True   
 709   709  Cg_endo   -62.1   136.4  Favored     7     8  0.57    11  0.80  molprobity     1  True   
 710   710  ?         102.2    -3.4  Favored     3     4  1.78     5  0.92  molprobity     1  True   
 711   711  t0       -113.4   141.1  Favored     4     8  0.96    11  1.11  molprobity     1  True   
 712   712  m         -51.8   -26.0  Favored     5     6  1.16     8  1.18  molprobity     1  True   
 713   713  m-20      -93.5     0.2  Favored     4     8  1.18    11  1.24  molprobity     1  True   
 714   714  t80       -46.1   132.0  Favored     9    13  2.05    18  1.15  molprobity     1  True   
 715   715  ?         -82.8   -25.0  Favored     3     4  1.54     5  1.01  molprobity     ?  False  
 716   716  ?         116.1  -120.0  Favored     3     4  1.10     5  1.04  molprobity     ?  False  
 717   717  t        -137.5    96.1  Allowed     9     7  0.85    10  1.16  molprobity     ?  False  
 718   718  mp0      -116.5    89.0  Favored     8     9  0.88    12  1.21  molprobity     ?  False  
 719   719  mt       -108.5    77.2  Allowed    11     8  0.84    11  1.01  molprobity     ?  False  
 720   720  t        -115.8    78.2  Allowed     9     7  0.75    10  1.19  molprobity     ?  False  
 721   721  ?          77.5    55.5  Favored     3     4  1.43     5  0.98  molprobity     ?  False  
 722   722  mt-30     -47.6   -63.4  Allowed     8     9  1.12    12  1.06  molprobity     ?  False  
 723   723  t70      -135.8    37.6  Favored     4     8  0.98    11  1.17  molprobity     ?  False  
 724   724  tt0        52.9    55.0  Favored     6     9  1.64    12  1.18  molprobity     ?  False  
 725   725  OUTLIER  -113.4    66.5  Allowed     7     7  0.80    10  1.13  molprobity     ?  False  
 726   726  m-20     -122.2    41.2  Favored     4     8  1.00    11  1.15  molprobity     ?  False  
 727   727  t0            ?       ?  ?           4     7  1.00     8  1.33  molprobity     ?  False  
 728   728  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 729   729  ?             ?       ?  ?           2     4  1.57     6  0.81  molprobity     ?  False  
 730   730  Cg_endo   -72.8    81.1  Allowed     7     8  0.54    11  0.46  molprobity     ?  False  
 731   731  tp       -137.5   141.7  Favored    11     8  0.72    11  1.32  molprobity     ?  False  
 732   732  ?         113.1  -132.8  Favored     3     4  1.55     5  0.85  molprobity     ?  False  
 733   733  p        -141.0    91.0  Favored     5     6  0.79     8  1.48  molprobity     ?  False  
 734   734  ?        -116.9   104.4  Allowed     3     4  1.50     5  0.84  molprobity     ?  False  
 735   735  m        -137.2   135.2  Favored     5     6  0.84     8  1.40  molprobity     ?  False  
 736   736  mm-40    -129.2  -174.6  Favored     6     9  1.58    12  1.28  molprobity     ?  False  
 737   737  ?          98.9    48.1  Allowed     3     4  1.53     5  0.85  molprobity     ?  False  
 738   738  m-80     -147.8   -66.6  Allowed     6     8  0.94    11  1.26  molprobity     ?  False  
 739   739  mptt     -129.3    48.0  Favored    13     9  0.79    11  1.46  molprobity     ?  False  
 740   740  t        -146.2   158.4  Favored     9     7  0.80    10  1.14  molprobity     1  True   
 741   741  mttm      -80.3    81.7  Favored    13     9  0.94    11  1.30  molprobity     1  True   
 742   742  OUTLIER   -54.7   146.6  Favored    13    11  1.34    14  1.34  molprobity     1  True   
 743   743  m         -67.1   130.2  Favored     7     7  0.91    10  1.06  molprobity     1  True   
 744   744  OUTLIER   -51.1   162.3  Allowed     5     6  1.23     8  1.05  molprobity     1  True   
 745   745  t         -79.5   156.7  Favored     4     6  1.07     8  1.35  molprobity     1  True   
 746   746  ptt?      -62.8   -31.0  Favored     9     8  1.12    10  1.18  molprobity     1  True   
 747   747  m-85      -80.1   -33.1  Favored     9    13  1.93    18  1.17  molprobity     1  True   
 748   748  ?          79.5   -89.3  Allowed     3     4  1.48     5  0.89  molprobity     1  True   
 749   749  ?        -108.5    -3.5  Favored     5     5  1.00     7  1.55  molprobity     1  True   
 750   750  m-80     -113.3    17.1  Favored     6     8  0.98    11  1.36  molprobity     1  True   
 751   751  t         -45.3   137.3  Favored     4     6  1.39     8  1.25  molprobity     1  True   
 752   752  p90      -117.5   -41.0  Favored     9    13  1.91    18  1.23  molprobity     1  True   
 753   753  OUTLIER   -56.0   156.7  Favored    13    11  1.22    14  1.40  molprobity     1  True   
 754   754  OUTLIER  -128.1    68.2  Allowed    13     9  0.78    11  1.43  molprobity     1  True   
 755   755  m120     -111.8   143.4  Favored     6     8  0.96    12  1.15  molprobity     1  True   
 756   756  Cg_endo   -70.0   -70.2  OUTLIER     7     8  0.55    11  0.59  molprobity     1  True   
 757   757  p         -38.2   -31.8  OUTLIER     9     7  1.35    10  1.08  molprobity     1  True   
 758   758  t60       -69.2   -42.1  Favored     7    11  1.05    15  0.94  molprobity     1  True   
 759   759  m-85      -55.9   -36.7  Favored     9    12  1.82    16  0.94  molprobity     1  True   
 760   760  mp0       -77.5   -26.4  Favored     8     9  1.00    12  1.07  molprobity     1  True   
 761   761  m170      -86.7   -34.6  Favored     7    11  0.91    15  0.95  molprobity     1  True   
 762   762  m-85     -117.8   147.0  Favored     9    12  1.79    16  1.03  molprobity     1  True   
 763   763  OUTLIER   -96.1   162.9  Favored     5     6  0.93     8  1.10  molprobity     1  True   
 764   764  m80      -135.1   157.6  Favored     7    11  0.78    16  0.96  molprobity     1  True   
 765   765  Cg_endo   -62.2   141.5  Favored     7     8  0.56    11  0.86  molprobity     1  True   
 766   766  ?          95.3    -2.2  Favored     3     4  1.57     5  1.00  molprobity     1  True   
 767   767  OUTLIER  -109.5   140.1  Favored     4     8  0.94    11  1.11  molprobity     1  True   
 768   768  t         -50.6   -24.4  Favored     5     6  1.12     8  1.29  molprobity     1  True   
 769   769  m-20     -108.5    15.6  Favored     4     8  1.11    11  1.23  molprobity     1  True   
 770   770  t80       -47.3   123.2  Favored     9    13  2.09    18  1.14  molprobity     1  True   
 771   771  ?         -61.7   -38.0  Favored     3     4  1.56     5  0.93  molprobity     ?  False  
 772   772  ?         127.3  -130.9  Favored     3     4  1.17     5  1.04  molprobity     ?  False  
 773   773  t        -122.5    93.8  Favored     9     7  0.79    10  1.18  molprobity     ?  False  
 774   774  OUTLIER  -113.0    89.8  Favored     8     9  0.93    12  1.18  molprobity     ?  False  
 775   775  mt       -107.2    82.9  Allowed    11     8  0.89    11  1.02  molprobity     ?  False  
 776   776  t        -118.5    58.0  Allowed     9     7  0.77    10  1.18  molprobity     ?  False  
 777   777  ?         126.8   -46.2  Allowed     3     4  1.49     5  0.80  molprobity     ?  False  
 778   778  mt-30      65.3   -66.0  Allowed     8     9  0.95    12  1.00  molprobity     ?  False  
 779   779  OUTLIER  -147.1    39.0  Allowed     4     8  1.02    11  1.16  molprobity     ?  False  
 780   780  mt-10    -116.7    40.8  Favored     6     9  1.59    12  1.21  molprobity     ?  False  
 781   781  OUTLIER  -121.0    65.3  Allowed     7     7  0.76    10  1.17  molprobity     ?  False  
 782   782  OUTLIER  -132.8    43.1  Favored     4     8  1.02    11  1.17  molprobity     ?  False  
 783   783  t0            ?       ?  ?           4     7  1.01     8  1.33  molprobity     ?  False  
 784   784  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 785   785  ?             ?       ?  ?           2     4  1.53     6  0.79  molprobity     ?  False  
 786   786  Cg_endo   -72.8   134.0  Favored     7     8  0.55    11  0.47  molprobity     ?  False  
 787   787  tp       -133.6   130.8  Favored    11     8  0.73    11  1.31  molprobity     ?  False  
 788   788  ?         137.4   166.0  Favored     3     4  1.51     5  0.83  molprobity     ?  False  
 789   789  OUTLIER  -141.7   102.4  Favored     5     6  0.82     8  1.49  molprobity     ?  False  
 790   790  ?          72.8    74.3  Allowed     3     4  1.54     5  0.84  molprobity     ?  False  
 791   791  m        -144.1    86.9  Allowed     5     6  0.86     8  1.41  molprobity     ?  False  
 792   792  mt-10    -126.8   100.3  Favored     6     9  1.58    12  1.29  molprobity     ?  False  
 793   793  ?        -140.6    41.7  Allowed     3     4  1.53     5  0.83  molprobity     ?  False  
 794   794  m-20     -146.9   -67.6  Allowed     6     8  0.94    11  1.27  molprobity     ?  False  
 795   795  tptp     -156.8    74.9  Allowed    13     9  0.81    11  1.47  molprobity     ?  False  
 796   796  t        -145.2   161.0  Favored     9     7  0.81    10  1.14  molprobity     1  True   
 797   797  mtpt      -86.6    94.0  Favored    13     9  0.91    11  1.33  molprobity     1  True   
 798   798  OUTLIER   -58.2   155.8  Favored    13    11  1.08    14  1.54  molprobity     1  True   
 799   799  t         -83.0   138.8  Favored     7     7  0.84    10  0.94  molprobity     1  True   
 800   800  p         -50.7   157.8  Allowed     5     6  1.25     8  1.06  molprobity     1  True   
 801   801  t         -78.0   158.0  Favored     4     6  1.09     8  1.36  molprobity     1  True   
 802   802  ptt?      -62.2   -30.9  Favored     9     8  1.12    10  1.11  molprobity     1  True   
 803   803  m-85      -81.0   -31.8  Favored     9    13  1.91    18  1.27  molprobity     1  True   
 804   804  ?          77.3   -89.0  Allowed     3     4  1.49     5  0.88  molprobity     1  True   
 805   805  ?        -107.5    -1.8  Favored     5     5  0.98     7  1.53  molprobity     1  True   
 806   806  m-80     -116.0    18.2  Favored     6     8  0.96    11  1.40  molprobity     1  True   
 807   807  t         -46.3   137.6  Favored     4     6  1.39     8  1.21  molprobity     1  True   
 808   808  p90      -115.1   -40.4  Favored     9    13  1.89    18  1.24  molprobity     1  True   
 809   809  OUTLIER   -60.9   149.8  Favored    13    11  1.18    14  1.41  molprobity     1  True   
 810   810  OUTLIER  -125.2    69.2  Allowed    13     9  0.79    11  1.38  molprobity     1  True   
 811   811  t30      -110.1   151.8  Favored     6     8  0.98    12  1.15  molprobity     1  True   
 812   812  Cg_endo   -74.2   -68.1  OUTLIER     7     8  0.51    11  0.58  molprobity     1  True   
 813   813  p         -40.5   -32.1  Allowed     9     7  1.33    10  1.06  molprobity     1  True   
 814   814  t60       -68.0   -39.1  Favored     7    11  1.05    15  0.96  molprobity     1  True   
 815   815  m-85      -60.5   -32.1  Favored     9    12  1.83    16  0.96  molprobity     1  True   
 816   816  mp0       -75.2   -27.0  Favored     8     9  0.99    12  1.07  molprobity     1  True   
 817   817  m170      -93.5   -34.5  Favored     7    11  0.89    15  0.98  molprobity     1  True   
 818   818  m-85     -114.2   140.2  Favored     9    12  1.77    16  1.04  molprobity     1  True   
 819   819  t         -91.7   165.2  Favored     5     6  0.92     8  1.04  molprobity     1  True   
 820   820  m80      -137.9   157.9  Favored     7    11  0.77    16  0.96  molprobity     1  True   
 821   821  Cg_endo   -62.5   140.6  Favored     7     8  0.50    11  0.83  molprobity     1  True   
 822   822  ?          96.3    -1.5  Favored     3     4  1.68     5  1.00  molprobity     1  True   
 823   823  t0       -110.6   142.5  Favored     4     8  0.95    11  1.08  molprobity     1  True   
 824   824  t         -50.9   -26.8  Favored     5     6  1.12     8  1.22  molprobity     1  True   
 825   825  m-20     -102.2     8.9  Favored     4     8  1.15    11  1.20  molprobity     1  True   
 826   826  t80       -47.1   125.4  Favored     9    13  2.06    18  1.14  molprobity     1  True   
 827   827  ?         -76.7   -29.7  Favored     3     4  1.54     5  0.95  molprobity     ?  False  
 828   828  ?         116.0  -118.0  Favored     3     4  1.12     5  1.18  molprobity     ?  False  
 829   829  t        -137.8    92.8  Allowed     9     7  0.82    10  1.16  molprobity     ?  False  
 830   830  mt-30    -131.7    89.3  Favored     8     9  0.90    12  1.18  molprobity     ?  False  
 831   831  mt       -103.7    70.6  Allowed    11     8  0.85    11  0.96  molprobity     ?  False  
 832   832  t        -113.6    80.1  Allowed     9     7  0.76    10  1.18  molprobity     ?  False  
 833   833  ?         108.0   -67.2  Allowed     3     4  1.36     5  0.90  molprobity     ?  False  
 834   834  mm-40      77.3   -60.6  Allowed     8     9  1.06    12  0.93  molprobity     ?  False  
 835   835  m-20     -103.8    38.7  Allowed     4     8  1.05    11  1.07  molprobity     ?  False  
 836   836  tt0      -142.5    52.4  Allowed     6     9  1.60    12  1.22  molprobity     ?  False  
 837   837  OUTLIER  -113.4    66.3  Allowed     7     7  0.81    10  1.15  molprobity     ?  False  
 838   838  OUTLIER  -119.7    84.8  Favored     4     8  1.01    11  1.16  molprobity     ?  False  
 839   839  t0            ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
 840   840  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 841   841  ?             ?       ?  ?           2     4  1.53     6  0.80  molprobity     ?  False  
 842   842  Cg_endo   -72.8   139.4  Favored     7     8  0.53    11  0.46  molprobity     ?  False  
 843   843  tp       -137.9    41.5  Favored    11     8  0.74    11  1.32  molprobity     ?  False  
 844   844  ?        -131.5    52.0  Allowed     3     4  1.57     5  0.83  molprobity     ?  False  
 845   845  t        -133.3    81.8  Allowed     5     6  0.82     8  1.48  molprobity     ?  False  
 846   846  ?        -123.7   -91.0  Allowed     3     4  1.56     5  0.83  molprobity     ?  False  
 847   847  p        -120.7   121.9  Favored     5     6  0.84     8  1.40  molprobity     ?  False  
 848   848  mt-10    -131.9    77.5  Allowed     6     9  1.56    12  1.29  molprobity     ?  False  
 849   849  ?        -138.5    40.7  Allowed     3     4  1.50     5  0.83  molprobity     ?  False  
 850   850  m-20     -145.3   -67.3  Allowed     6     8  0.91    11  1.26  molprobity     ?  False  
 851   851  mttt     -137.9    60.7  Allowed    13     9  0.78    11  1.48  molprobity     ?  False  
 852   852  t        -145.2   161.0  Favored     9     7  0.80    10  1.12  molprobity     1  True   
 853   853  mmtp      -93.0    96.4  Favored    13     9  0.86    11  1.36  molprobity     1  True   
 854   854  mtt85     -54.6  -179.2  OUTLIER    13    11  1.17    14  1.52  molprobity     1  True   
 855   855  m        -107.2   128.6  Favored     7     7  0.81    10  1.22  molprobity     1  True   
 856   856  p         -52.5   117.3  Favored     5     6  1.23     8  0.70  molprobity     1  True   
 857   857  t         -36.4   151.6  OUTLIER     4     6  1.25     8  1.40  molprobity     1  True   
 858   858  ptp       -51.1   -30.0  Favored     9     8  1.05    10  1.11  molprobity     1  True   
 859   859  m-85      -85.0   -23.7  Favored     9    13  1.91    18  1.34  molprobity     1  True   
 860   860  ?          67.1   -83.0  Allowed     3     4  1.54     5  0.78  molprobity     1  True   
 861   861  ?        -108.0    -0.1  Favored     5     5  0.97     7  1.58  molprobity     1  True   
 862   862  m-80     -119.5    19.7  Favored     6     8  0.96    11  1.43  molprobity     1  True   
 863   863  t         -47.7   143.2  Favored     4     6  1.42     8  1.19  molprobity     1  True   
 864   864  p90      -120.1   -39.4  Favored     9    13  1.87    18  1.22  molprobity     1  True   
 865   865  ptp85     -67.7   145.3  Favored    13    11  1.17    14  1.43  molprobity     1  True   
 866   866  OUTLIER  -121.8    73.1  Allowed    13     9  0.82    11  1.35  molprobity     1  True   
 867   867  m-20     -107.5   150.8  Favored     6     8  1.02    12  1.11  molprobity     1  True   
 868   868  Cg_endo   -71.3   -73.9  OUTLIER     7     8  0.56    11  0.63  molprobity     1  True   
 869   869  t         -41.8   -29.5  Allowed     9     7  1.39    10  1.09  molprobity     1  True   
 870   870  t60       -63.2   -35.1  Favored     7    11  1.10    15  0.95  molprobity     1  True   
 871   871  m-85      -66.0   -26.8  Favored     9    12  1.82    16  0.97  molprobity     1  True   
 872   872  OUTLIER   -76.6   -31.6  Favored     8     9  1.01    12  1.06  molprobity     1  True   
 873   873  m170      -82.8   -40.5  Favored     7    11  0.93    15  0.94  molprobity     1  True   
 874   874  m-85     -110.0   165.4  Favored     9    12  1.80    16  1.02  molprobity     1  True   
 875   875  OUTLIER  -112.4   169.2  Favored     5     6  0.88     8  1.40  molprobity     1  True   
 876   876  m80      -143.3   160.2  Favored     7    11  0.83    16  0.92  molprobity     1  True   
 877   877  Cg_endo   -62.0   137.7  Favored     7     8  0.48    11  0.73  molprobity     1  True   
 878   878  ?          96.6    -2.3  Favored     3     4  1.65     5  0.94  molprobity     1  True   
 879   879  t70      -110.6   139.3  Favored     4     8  0.99    11  1.09  molprobity     1  True   
 880   880  m         -49.2   -26.1  Favored     5     6  1.15     8  1.30  molprobity     1  True   
 881   881  m-20      -97.8     2.6  Favored     4     8  1.27    11  1.25  molprobity     1  True   
 882   882  t80       -39.8   124.5  Allowed     9    13  2.11    18  1.28  molprobity     1  True   
 883   883  ?        -168.0    77.4  Allowed     3     4  1.78     5  0.87  molprobity     ?  False  
 884   884  ?        -151.7   -58.4  OUTLIER     3     4  1.63     5  0.73  molprobity     ?  False  
 885   885  p        -119.0    69.3  Allowed     9     7  0.92    10  1.15  molprobity     ?  False  
 886   886  mt-30    -126.9    93.3  Favored     8     9  0.86    12  1.19  molprobity     ?  False  
 887   887  mt        -80.8    68.7  Allowed    11     8  0.95    11  0.90  molprobity     ?  False  
 888   888  t        -123.1    66.9  Allowed     9     7  0.75    10  1.21  molprobity     ?  False  
 889   889  ?          95.2    51.4  Allowed     3     4  1.43     5  0.97  molprobity     ?  False  
 890   890  mt-30     -48.4   -61.9  Allowed     8     9  1.11    12  1.07  molprobity     ?  False  
 891   891  t0       -126.2    37.2  Favored     4     8  0.98    11  1.16  molprobity     ?  False  
 892   892  tt0      -126.9    40.4  Favored     6     9  1.58    12  1.19  molprobity     ?  False  
 893   893  t        -139.0    59.2  Allowed     7     7  0.80    10  1.01  molprobity     ?  False  
 894   894  m-20     -102.6    38.9  Allowed     4     8  1.04    11  1.05  molprobity     ?  False  
 895   895  OUTLIER       ?       ?  ?           4     7  1.02     8  1.34  molprobity     ?  False  
 896   896  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 897   897  ?             ?       ?  ?           2     4  1.53     6  0.79  molprobity     ?  False  
 898   898  Cg_endo   -72.7   108.3  Favored     7     8  0.53    11  0.45  molprobity     ?  False  
 899   899  tp       -133.9   135.0  Favored    11     8  0.74    11  1.32  molprobity     ?  False  
 900   900  ?         -99.1   142.3  Favored     3     4  1.52     5  0.85  molprobity     ?  False  
 901   901  t        -142.2   128.6  Favored     5     6  0.81     8  1.48  molprobity     ?  False  
 902   902  ?        -138.2   108.9  Allowed     3     4  1.55     5  0.85  molprobity     ?  False  
 903   903  m        -127.4   103.2  Favored     5     6  0.86     8  1.38  molprobity     ?  False  
 904   904  mp0      -138.4  -172.9  Favored     6     9  1.55    12  1.25  molprobity     ?  False  
 905   905  ?         -86.2  -111.0  Allowed     3     4  1.51     5  0.84  molprobity     ?  False  
 906   906  m-80     -126.7    73.6  Allowed     6     8  0.89    11  1.26  molprobity     ?  False  
 907   907  mptt       53.5    60.7  Favored    13     9  0.87    11  1.43  molprobity     ?  False  
 908   908  p        -141.3   161.8  Favored     9     7  0.74    10  1.16  molprobity     1  True   
 909   909  OUTLIER   -82.7    89.9  Favored    13     9  0.91    11  1.32  molprobity     1  True   
 910   910  mmt-85    -62.1   151.8  Favored    13    11  1.16    14  1.30  molprobity     1  True   
 911   911  t         -74.0   140.9  Favored     7     7  0.88    10  0.94  molprobity     1  True   
 912   912  p         -57.2   157.3  Favored     5     6  1.14     8  1.07  molprobity     1  True   
 913   913  t         -73.2   161.6  Favored     4     6  1.15     8  1.29  molprobity     1  True   
 914   914  OUTLIER   -61.3   -31.8  Favored     9     8  1.08    10  1.20  molprobity     1  True   
 915   915  m-85      -85.1   -21.5  Favored     9    13  1.89    18  1.30  molprobity     1  True   
 916   916  ?          66.4   -86.6  Allowed     3     4  1.52     5  0.85  molprobity     1  True   
 917   917  ?        -104.5    -8.7  Favored     5     5  1.06     7  1.48  molprobity     1  True   
 918   918  m-80     -106.6    13.0  Favored     6     8  1.03    11  1.38  molprobity     1  True   
 919   919  t         -47.0   142.3  Favored     4     6  1.42     8  1.22  molprobity     1  True   
 920   920  p90      -121.1   -37.0  Favored     9    13  1.93    18  1.26  molprobity     1  True   
 921   921  ptm180    -55.1   157.1  Favored    13    11  1.36    14  1.42  molprobity     1  True   
 922   922  pttp     -129.0    64.8  Allowed    13     9  0.82    11  1.42  molprobity     1  True   
 923   923  m120     -111.7   148.3  Favored     6     8  0.99    12  1.18  molprobity     1  True   
 924   924  Cg_endo   -72.7   -69.6  OUTLIER     7     8  0.52    11  0.65  molprobity     1  True   
 925   925  t         -43.0   -29.1  Allowed     9     7  1.33    10  1.12  molprobity     1  True   
 926   926  t60       -65.2   -36.3  Favored     7    11  1.00    15  0.91  molprobity     1  True   
 927   927  m-85      -57.9   -30.0  Favored     9    12  1.82    16  0.97  molprobity     1  True   
 928   928  OUTLIER   -82.4   -28.6  Favored     8     9  1.01    12  1.03  molprobity     1  True   
 929   929  m170      -75.4   -34.3  Favored     7    11  0.96    15  0.93  molprobity     1  True   
 930   930  m-85     -134.7   149.2  Favored     9    12  1.79    16  1.01  molprobity     1  True   
 931   931  t         -93.8   164.9  Favored     5     6  0.90     8  1.08  molprobity     1  True   
 932   932  m80      -137.2   159.2  Favored     7    11  0.80    16  0.96  molprobity     1  True   
 933   933  Cg_endo   -62.4   138.9  Favored     7     8  0.51    11  0.81  molprobity     1  True   
 934   934  ?          97.5    -2.1  Favored     3     4  1.67     5  0.96  molprobity     1  True   
 935   935  m-20     -110.1   138.9  Favored     4     8  0.96    11  1.12  molprobity     1  True   
 936   936  OUTLIER   -52.3   -23.2  Favored     5     6  1.20     8  1.22  molprobity     1  True   
 937   937  m-20     -103.6    12.0  Favored     4     8  1.13    11  1.28  molprobity     1  True   
 938   938  t80       -47.1   128.7  Favored     9    13  2.06    18  1.12  molprobity     1  True   
 939   939  ?         -66.2   -36.8  Favored     3     4  1.55     5  0.90  molprobity     ?  False  
 940   940  ?         125.2  -130.2  Favored     3     4  1.14     5  1.07  molprobity     ?  False  
 941   941  t        -131.4    97.8  Favored     9     7  0.81    10  1.16  molprobity     ?  False  
 942   942  OUTLIER  -138.1    83.2  Allowed     8     9  0.94    12  1.13  molprobity     ?  False  
 943   943  mt       -103.9    75.3  Allowed    11     8  0.86    11  0.99  molprobity     ?  False  
 944   944  t        -116.9    78.7  Allowed     9     7  0.78    10  1.20  molprobity     ?  False  
 945   945  ?          80.4    58.6  Favored     3     4  1.43     5  0.96  molprobity     ?  False  
 946   946  mt-30     -48.5   -65.0  Allowed     8     9  1.14    12  1.05  molprobity     ?  False  
 947   947  t70      -153.4    37.0  Allowed     4     8  1.04    11  1.18  molprobity     ?  False  
 948   948  mt-10    -117.0    51.7  Allowed     6     9  1.61    12  1.22  molprobity     ?  False  
 949   949  OUTLIER  -117.4    66.1  Allowed     7     7  0.77    10  1.14  molprobity     ?  False  
 950   950  m-20       52.8    40.1  Favored     4     8  1.11    11  1.10  molprobity     ?  False  
 951   951  p-10          ?       ?  ?           4     7  1.05     8  1.25  molprobity     ?  False  
 952   952  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 953   953  ?             ?       ?  ?           2     4  1.52     6  0.80  molprobity     ?  False  
 954   954  Cg_endo   -72.9   123.7  Favored     7     8  0.55    11  0.46  molprobity     ?  False  
 955   955  mp       -132.9   -62.0  Allowed    11     8  0.74    11  1.30  molprobity     ?  False  
 956   956  ?        -114.5    68.7  Allowed     3     4  1.52     5  0.83  molprobity     ?  False  
 957   957  m        -141.2    47.3  Allowed     5     6  0.84     8  1.49  molprobity     ?  False  
 958   958  ?         117.9   134.9  Favored     3     4  1.52     5  0.84  molprobity     ?  False  
 959   959  m        -141.9    39.5  Allowed     5     6  0.86     8  1.40  molprobity     ?  False  
 960   960  pt-20    -149.1   164.0  Favored     6     9  1.61    12  1.24  molprobity     ?  False  
 961   961  ?         -91.4   -61.9  Allowed     3     4  1.49     5  0.85  molprobity     ?  False  
 962   962  m120     -146.0    63.8  Allowed     6     8  0.94    11  1.28  molprobity     ?  False  
 963   963  mptt       53.0    63.8  Favored    13     9  0.86    11  1.43  molprobity     ?  False  
 964   964  p        -142.3   160.3  Favored     9     7  0.78    10  1.14  molprobity     1  True   
 965   965  OUTLIER   -84.2    88.6  Favored    13     9  0.95    11  1.31  molprobity     1  True   
 966   966  mmt-85    -61.5   152.2  Favored    13    11  1.11    14  1.38  molprobity     1  True   
 967   967  m         -73.4   143.6  Favored     7     7  0.92    10  1.09  molprobity     1  True   
 968   968  t         -57.4   168.7  Allowed     5     6  1.19     8  0.89  molprobity     1  True   
 969   969  t         -83.2   158.1  Favored     4     6  1.11     8  1.35  molprobity     1  True   
 970   970  mtm       -56.3   -31.2  Favored     9     8  1.07    10  1.29  molprobity     1  True   
 971   971  m-85      -82.5   -21.9  Favored     9    13  1.89    18  1.34  molprobity     1  True   
 972   972  ?          66.4   -92.0  Allowed     3     4  1.55     5  0.80  molprobity     1  True   
 973   973  ?        -104.9     0.7  Favored     5     5  1.02     7  1.54  molprobity     1  True   
 974   974  m-80     -117.5    22.1  Favored     6     8  0.92    11  1.41  molprobity     1  True   
 975   975  t         -52.3   147.6  Favored     4     6  1.28     8  1.19  molprobity     1  True   
 976   976  p90      -126.0   -35.6  Favored     9    13  1.92    18  1.21  molprobity     1  True   
 977   977  ptp85     -62.0   162.1  Favored    13    11  1.20    14  1.44  molprobity     1  True   
 978   978  OUTLIER  -128.6    66.9  Allowed    13     9  0.81    11  1.37  molprobity     1  True   
 979   979  m-20     -107.5   145.9  Favored     6     8  1.01    12  1.14  molprobity     1  True   
 980   980  Cg_endo   -74.6   -69.2  OUTLIER     7     8  0.54    11  0.66  molprobity     1  True   
 981   981  t         -44.8   -30.4  Allowed     9     7  1.31    10  1.03  molprobity     1  True   
 982   982  t60       -63.7   -36.0  Favored     7    11  0.95    15  0.94  molprobity     1  True   
 983   983  m-85      -58.8   -27.5  Favored     9    12  1.82    16  0.97  molprobity     1  True   
 984   984  OUTLIER   -84.0   -31.2  Favored     8     9  0.98    12  1.04  molprobity     1  True   
 985   985  m170      -73.2   -29.1  Favored     7    11  0.91    15  0.94  molprobity     1  True   
 986   986  m-85     -140.3   145.9  Favored     9    12  1.77    16  1.02  molprobity     1  True   
 987   987  m         -90.1   163.1  Favored     5     6  0.94     8  1.04  molprobity     1  True   
 988   988  m80      -139.1   160.9  Favored     7    11  0.74    16  0.92  molprobity     1  True   
 989   989  Cg_endo   -63.0   140.1  Favored     7     8  0.47    11  0.81  molprobity     1  True   
 990   990  ?          97.7    -2.8  Favored     3     4  1.82     5  0.94  molprobity     1  True   
 991   991  m-20     -114.3   143.3  Favored     4     8  0.92    11  1.19  molprobity     1  True   
 992   992  m         -52.8   -30.4  Favored     5     6  1.12     8  1.09  molprobity     1  True   
 993   993  m-20      -86.3    -1.6  Favored     4     8  1.22    11  1.31  molprobity     1  True   
 994   994  t80       -40.9   116.7  Allowed     9    13  2.13    18  1.20  molprobity     1  True   
 995   995  ?        -162.6    79.4  Allowed     3     4  1.63     5  0.90  molprobity     ?  False  
 996   996  ?        -154.3   -56.9  OUTLIER     3     4  1.59     5  0.74  molprobity     ?  False  
 997   997  p        -120.7    75.4  Allowed     9     7  0.93    10  1.14  molprobity     ?  False  
 998   998  mt-30    -137.7    85.2  Favored     8     9  0.86    12  1.22  molprobity     ?  False  
 999   999  mt       -101.1    67.7  Allowed    11     8  0.87    11  0.96  molprobity     ?  False  
1000  1000  t        -114.1    78.2  Allowed     9     7  0.75    10  1.20  molprobity     ?  False  
1001  1001  ?          79.5    57.8  Favored     3     4  1.38     5  0.97  molprobity     ?  False  
1002  1002  mt-30     -48.6   -63.8  Allowed     8     9  1.12    12  1.06  molprobity     ?  False  
1003  1003  OUTLIER  -146.8    36.9  Allowed     4     8  1.00    11  1.17  molprobity     ?  False  
1004  1004  tt0        53.1    41.0  Favored     6     9  1.66    12  1.18  molprobity     ?  False  
1005  1005  t        -132.5    61.7  Allowed     7     7  0.80    10  1.01  molprobity     ?  False  
1006  1006  m-20     -103.3    39.1  Allowed     4     8  1.02    11  1.06  molprobity     ?  False  
1007  1007  m-20          ?       ?  ?           4     7  1.01     8  1.33  molprobity     ?  False  
1008  1008  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
1009  1009  ?             ?       ?  ?           2     4  1.55     6  0.80  molprobity     ?  False  
1010  1010  Cg_endo   -72.9   110.3  Favored     7     8  0.53    11  0.47  molprobity     ?  False  
1011  1011  mt       -117.9   150.3  Favored    11     8  0.72    11  1.31  molprobity     ?  False  
1012  1012  ?         112.7  -135.1  Favored     3     4  1.51     5  0.83  molprobity     ?  False  
1013  1013  p        -119.2   128.4  Favored     5     6  0.81     8  1.49  molprobity     ?  False  
1014  1014  ?         -91.7  -147.3  Favored     3     4  1.54     5  0.82  molprobity     ?  False  
1015  1015  m        -117.1   -57.1  Favored     5     6  0.85     8  1.39  molprobity     ?  False  
1016  1016  OUTLIER  -116.5  -178.8  Favored     6     9  1.56    12  1.28  molprobity     ?  False  
1017  1017  ?         -62.8   -68.1  Allowed     3     4  1.52     5  0.85  molprobity     ?  False  
1018  1018  m-80     -149.0    59.4  Allowed     6     8  0.94    11  1.29  molprobity     ?  False  
1019  1019  tptt       53.3    64.9  Allowed    13     9  0.88    11  1.44  molprobity     ?  False  
1020  1020  p        -142.6   159.5  Favored     9     7  0.76    10  1.16  molprobity     1  True   
1021  1021  tptt      -68.5    83.0  Allowed    13     9  0.94    11  1.32  molprobity     1  True   
1022  1022  mmt-85    -61.9   152.2  Favored    13    11  1.11    14  1.34  molprobity     1  True   
1023  1023  t         -71.8   141.5  Favored     7     7  0.85    10  0.91  molprobity     1  True   
1024  1024  t         -54.8   161.0  Allowed     5     6  1.12     8  1.11  molprobity     1  True   
1025  1025  t         -81.3   156.0  Favored     4     6  1.14     8  1.32  molprobity     1  True   
1026  1026  mtm       -56.0   -27.5  Favored     9     8  1.12    10  1.29  molprobity     1  True   
1027  1027  m-85      -84.5   -21.8  Favored     9    13  1.91    18  1.35  molprobity     1  True   
1028  1028  ?          66.6   -93.5  Allowed     3     4  1.49     5  0.87  molprobity     1  True   
1029  1029  ?        -107.1     0.2  Favored     5     5  1.01     7  1.51  molprobity     1  True   
1030  1030  m-80     -116.7    23.4  Favored     6     8  0.94    11  1.39  molprobity     1  True   
1031  1031  t         -52.6   144.2  Favored     4     6  1.30     8  1.17  molprobity     1  True   
1032  1032  p90      -122.9   -36.4  Favored     9    13  1.90    18  1.23  molprobity     1  True   
1033  1033  OUTLIER   -79.1   161.5  Favored    13    11  1.17    14  1.41  molprobity     1  True   
1034  1034  pttt     -150.4   111.2  Favored    13     9  0.80    11  1.36  molprobity     1  True   
1035  1035  m-20     -120.1   166.9  Favored     6     8  0.97    12  1.20  molprobity     1  True   
1036  1036  Cg_endo   -72.4   -28.9  Favored     7     8  0.68    11  0.47  molprobity     1  True   
1037  1037  t         -97.8   -22.9  Favored     9     7  1.00    10  1.11  molprobity     1  True   
1038  1038  t60       -61.8   -38.0  Favored     7    11  0.93    15  0.92  molprobity     1  True   
1039  1039  m-85      -56.8   -28.6  Favored     9    12  1.81    16  1.01  molprobity     1  True   
1040  1040  OUTLIER   -83.9   -32.4  Favored     8     9  0.99    12  1.02  molprobity     1  True   
1041  1041  m170      -71.6   -31.0  Favored     7    11  0.96    15  0.97  molprobity     1  True   
1042  1042  m-85     -140.7   148.5  Favored     9    12  1.81    16  1.01  molprobity     1  True   
1043  1043  m         -86.8   169.5  Favored     5     6  0.95     8  0.97  molprobity     1  True   
1044  1044  m80      -143.4   157.8  Favored     7    11  0.79    16  0.95  molprobity     1  True   
1045  1045  Cg_endo   -62.5   139.0  Favored     7     8  0.52    11  0.80  molprobity     1  True   
1046  1046  ?         101.1    -2.0  Favored     3     4  1.77     5  0.90  molprobity     1  True   
1047  1047  m-20     -115.1   147.6  Favored     4     8  0.90    11  1.20  molprobity     1  True   
1048  1048  t         -58.7   -27.1  Favored     5     6  1.09     8  1.06  molprobity     1  True   
1049  1049  m-20      -90.6    -0.6  Favored     4     8  1.14    11  1.26  molprobity     1  True   
1050  1050  t80       -45.4   125.2  Favored     9    13  2.05    18  1.13  molprobity     1  True   
1051  1051  ?         -71.9   -32.2  Favored     3     4  1.45     5  0.98  molprobity     ?  False  
1052  1052  ?         121.4  -127.2  Favored     3     4  1.13     5  1.22  molprobity     ?  False  
1053  1053  t        -138.3    98.0  Allowed     9     7  0.81    10  1.17  molprobity     ?  False  
1054  1054  OUTLIER  -155.6    85.9  Allowed     8     9  0.97    12  1.12  molprobity     ?  False  
1055  1055  mp       -111.7    72.6  Allowed    11     8  0.81    11  0.99  molprobity     ?  False  
1056  1056  t        -113.3    79.4  Allowed     9     7  0.79    10  1.19  molprobity     ?  False  
1057  1057  ?          73.9    53.7  Favored     3     4  1.40     5  0.98  molprobity     ?  False  
1058  1058  mt-30     -47.0   -57.3  Favored     8     9  1.13    12  1.07  molprobity     ?  False  
1059  1059  m-20     -143.4    39.3  Allowed     4     8  1.01    11  1.16  molprobity     ?  False  
1060  1060  tt0      -125.1    65.0  Allowed     6     9  1.59    12  1.23  molprobity     ?  False  
1061  1061  OUTLIER  -113.0    65.2  Allowed     7     7  0.81    10  1.10  molprobity     ?  False  
1062  1062  t70      -115.3    41.6  Favored     4     8  1.02    11  1.15  molprobity     ?  False  
1063  1063  t0            ?       ?  ?           4     7  1.01     8  1.34  molprobity     ?  False  
1064  1064  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
1065  1065  ?             ?       ?  ?           2     4  1.56     6  0.81  molprobity     ?  False  
1066  1066  Cg_endo   -72.7    79.8  Allowed     7     8  0.53    11  0.46  molprobity     ?  False  
1067  1067  mt       -136.8   115.0  Favored    11     8  0.73    11  1.32  molprobity     ?  False  
1068  1068  ?         131.0    60.6  OUTLIER     3     4  1.51     5  0.83  molprobity     ?  False  
1069  1069  t        -142.7    79.7  Allowed     5     6  0.80     8  1.48  molprobity     ?  False  
1070  1070  ?        -138.2  -121.9  Favored     3     4  1.52     5  0.83  molprobity     ?  False  
1071  1071  p        -121.7    85.7  Favored     5     6  0.82     8  1.39  molprobity     ?  False  
1072  1072  mp0      -127.4    77.4  Allowed     6     9  1.57    12  1.27  molprobity     ?  False  
1073  1073  ?        -144.5    41.3  Allowed     3     4  1.57     5  0.80  molprobity     ?  False  
1074  1074  m-20     -135.6   -61.2  Allowed     6     8  0.91    11  1.26  molprobity     ?  False  
1075  1075  OUTLIER  -136.8    59.5  Allowed    13     9  0.77    11  1.49  molprobity     ?  False  
1076  1076  t        -145.9   161.5  Favored     9     7  0.80    10  1.12  molprobity     1  True   
1077  1077  mptt      -89.5    96.0  Favored    13     9  0.93    11  1.34  molprobity     1  True   
1078  1078  OUTLIER   -74.9   150.6  Favored    13    11  1.26    14  1.37  molprobity     1  True   
1079  1079  t         -76.6  -179.7  Favored     7     7  1.07    10  1.02  molprobity     1  True   
1080  1080  OUTLIER   -97.2   126.8  Favored     5     6  1.05     8  1.11  molprobity     1  True   
1081  1081  t         -45.1   145.2  Allowed     4     6  1.14     8  1.36  molprobity     1  True   
1082  1082  ptp       -49.4   -28.1  Favored     9     8  1.09    10  1.22  molprobity     1  True   
1083  1083  m-85      -86.8   -22.5  Favored     9    13  1.88    18  1.39  molprobity     1  True   
1084  1084  ?          62.6   -84.9  OUTLIER     3     4  1.70     5  0.70  molprobity     1  True   
1085  1085  ?        -105.1    -9.7  Favored     5     5  1.02     7  1.55  molprobity     1  True   
1086  1086  m-80     -112.8    18.7  Favored     6     8  0.93    11  1.40  molprobity     1  True   
1087  1087  t         -47.9   139.1  Favored     4     6  1.39     8  1.18  molprobity     1  True   
1088  1088  p90      -116.2   -40.7  Favored     9    13  1.88    18  1.18  molprobity     1  True   
1089  1089  OUTLIER   -71.3   162.8  Favored    13    11  1.13    14  1.46  molprobity     1  True   
1090  1090  pttp     -156.0   104.1  Favored    13     9  0.83    11  1.41  molprobity     1  True   
1091  1091  m120     -115.5   165.3  Favored     6     8  0.99    12  1.18  molprobity     1  True   
1092  1092  Cg_endo   -72.5   -24.7  Favored     7     8  0.71    11  0.46  molprobity     1  True   
1093  1093  t        -100.2   -21.7  Favored     9     7  1.05    10  1.13  molprobity     1  True   
1094  1094  t60       -63.8   -38.2  Favored     7    11  0.98    15  0.96  molprobity     1  True   
1095  1095  m-85      -58.1   -30.6  Favored     9    12  1.83    16  0.97  molprobity     1  True   
1096  1096  OUTLIER   -79.0   -32.1  Favored     8     9  1.00    12  1.00  molprobity     1  True   
1097  1097  m170      -77.8   -37.8  Favored     7    11  0.94    15  0.95  molprobity     1  True   
1098  1098  m-85     -125.2   150.5  Favored     9    12  1.77    16  1.02  molprobity     1  True   
1099  1099  t         -94.7   174.5  Favored     5     6  0.96     8  0.95  molprobity     1  True   
1100  1100  m80      -144.3   156.5  Favored     7    11  0.83    16  1.01  molprobity     1  True   
1101  1101  Cg_endo   -61.1   138.9  Favored     7     8  0.51    11  0.75  molprobity     1  True   
1102  1102  ?         100.6    -2.5  Favored     3     4  1.75     5  0.96  molprobity     1  True   
1103  1103  OUTLIER  -114.1   146.9  Favored     4     8  0.98    11  1.14  molprobity     1  True   
1104  1104  t         -54.5   -28.4  Favored     5     6  1.11     8  1.08  molprobity     1  True   
1105  1105  m-20      -92.1     1.4  Favored     4     8  1.06    11  1.24  molprobity     1  True   
1106  1106  t80       -48.6   132.6  Favored     9    13  2.00    18  1.14  molprobity     1  True   
1107  1107  ?        -126.2    16.1  Favored     3     4  1.45     5  1.27  molprobity     ?  False  
1108  1108  ?         -54.5   -29.7  Favored     3     4  1.55     5  0.61  molprobity     ?  False  
1109  1109  t         -99.9    67.8  Allowed     9     7  0.73    10  1.23  molprobity     ?  False  
1110  1110  mp0       -66.5    78.9  Allowed     8     9  1.07    12  0.98  molprobity     ?  False  
1111  1111  mt         51.3    67.7  Allowed    11     8  0.89    11  1.04  molprobity     ?  False  
1112  1112  t        -120.6    66.0  Allowed     9     7  0.78    10  1.19  molprobity     ?  False  
1113  1113  ?          94.7    51.5  Allowed     3     4  1.39     5  1.00  molprobity     ?  False  
1114  1114  mt-30     -49.1   -61.9  Allowed     8     9  1.11    12  1.05  molprobity     ?  False  
1115  1115  t0       -122.3    37.0  Favored     4     8  1.00    11  1.15  molprobity     ?  False  
1116  1116  tt0      -141.0    54.3  Allowed     6     9  1.56    12  1.23  molprobity     ?  False  
1117  1117  OUTLIER  -112.0    66.4  Allowed     7     7  0.81    10  1.11  molprobity     ?  False  
1118  1118  m-20     -116.3    83.8  Favored     4     8  1.02    11  1.15  molprobity     ?  False  
1119  1119  t70           ?       ?  ?           4     7  1.01     8  1.34  molprobity     ?  False  
1120  1120  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
1121  1121  ?             ?       ?  ?           2     4  1.56     6  0.80  molprobity     ?  False  
1122  1122  Cg_endo   -72.8   129.5  Favored     7     8  0.55    11  0.47  molprobity     ?  False  
1123  1123  tp       -142.9   115.7  Favored    11     8  0.73    11  1.32  molprobity     ?  False  
1124  1124  ?         -79.3   130.8  Favored     3     4  1.53     5  0.84  molprobity     ?  False  
1125  1125  t        -132.1    81.5  Allowed     5     6  0.81     8  1.49  molprobity     ?  False  
1126  1126  ?          97.6   149.7  Favored     3     4  1.52     5  0.81  molprobity     ?  False  
1127  1127  OUTLIER  -122.4   124.5  Favored     5     6  0.84     8  1.40  molprobity     ?  False  
1128  1128  OUTLIER  -146.9   171.1  Favored     6     9  1.62    12  1.21  molprobity     ?  False  
1129  1129  ?         -95.9   -43.6  Favored     3     4  1.55     5  0.83  molprobity     ?  False  
1130  1130  m-80     -146.1    53.7  Allowed     6     8  0.92    11  1.28  molprobity     ?  False  
1131  1131  mttt       53.0    61.9  Favored    13     9  0.87    11  1.44  molprobity     ?  False  
1132  1132  p        -138.5   161.5  Favored     9     7  0.77    10  1.12  molprobity     1  True   
1133  1133  mtpt      -83.3    99.2  Favored    13     9  0.89    11  1.32  molprobity     1  True   
1134  1134  OUTLIER   -72.6   153.0  Favored    13    11  1.09    14  1.34  molprobity     1  True   
1135  1135  m         -73.4   141.8  Favored     7     7  0.94    10  1.06  molprobity     1  True   
1136  1136  t         -58.2   158.5  Favored     5     6  1.19     8  0.96  molprobity     1  True   
1137  1137  t         -76.8   151.5  Favored     4     6  1.09     8  1.27  molprobity     1  True   
1138  1138  ptt?      -52.9   -28.6  Favored     9     8  1.11    10  1.24  molprobity     1  True   
1139  1139  m-85      -77.3   -31.9  Favored     9    13  1.90    18  1.26  molprobity     1  True   
1140  1140  ?          75.9   -90.9  Allowed     3     4  1.50     5  0.79  molprobity     1  True   
1141  1141  ?        -106.3     5.0  Favored     5     5  1.02     7  1.52  molprobity     1  True   
1142  1142  m-80     -128.3    25.8  Favored     6     8  0.91    11  1.45  molprobity     1  True   
1143  1143  t         -50.7   143.8  Favored     4     6  1.32     8  1.17  molprobity     1  True   
1144  1144  p90      -116.4   -36.0  Favored     9    13  1.91    18  1.15  molprobity     1  True   
1145  1145  OUTLIER   -73.5   149.5  Favored    13    11  1.18    14  1.41  molprobity     1  True   
1146  1146  OUTLIER  -143.5   100.9  Favored    13     9  0.87    11  1.35  molprobity     1  True   
1147  1147  m-20     -120.2   164.6  Favored     6     8  0.99    12  1.18  molprobity     1  True   
1148  1148  Cg_endo   -71.4   -29.9  Favored     7     8  0.64    11  0.46  molprobity     1  True   
1149  1149  t         -95.1   -23.5  Favored     9     7  1.02    10  1.07  molprobity     1  True   
1150  1150  t60       -61.7   -37.5  Favored     7    11  0.90    15  0.94  molprobity     1  True   
1151  1151  m-85      -57.7   -26.1  Favored     9    12  1.82    16  1.00  molprobity     1  True   
1152  1152  OUTLIER   -82.5   -30.3  Favored     8     9  0.97    12  1.03  molprobity     1  True   
1153  1153  m170      -79.3   -34.2  Favored     7    11  0.95    15  0.97  molprobity     1  True   
1154  1154  m-85     -133.3   142.4  Favored     9    12  1.79    16  1.03  molprobity     1  True   
1155  1155  m         -85.7   169.3  Favored     5     6  0.96     8  0.99  molprobity     1  True   
1156  1156  m80      -144.4   158.8  Favored     7    11  0.75    16  0.91  molprobity     1  True   
1157  1157  Cg_endo   -62.1   137.4  Favored     7     8  0.48    11  0.78  molprobity     1  True   
1158  1158  ?         100.1    -1.9  Favored     3     4  1.84     5  0.85  molprobity     1  True   
1159  1159  m-20     -121.2   150.8  Favored     4     8  0.89    11  1.26  molprobity     1  True   
1160  1160  p         -60.3   -32.1  Favored     5     6  1.07     8  1.01  molprobity     1  True   
1161  1161  m-20      -68.8   -11.4  Favored     4     8  1.05    11  1.12  molprobity     1  True   
1162  1162  t80       -45.5   113.5  Allowed     9    13  1.99    18  1.20  molprobity     1  True   
1163  1163  ?        -163.8    78.9  Allowed     3     4  1.69     5  0.91  molprobity     ?  False  
1164  1164  ?        -150.9   -55.5  OUTLIER     3     4  1.68     5  0.77  molprobity     ?  False  
1165  1165  p        -111.2    61.9  Allowed     9     7  0.90    10  1.02  molprobity     ?  False  
1166  1166  mt-30    -132.2    92.1  Favored     8     9  0.86    12  1.24  molprobity     ?  False  
1167  1167  mt        -96.7    66.8  Allowed    11     8  0.86    11  0.95  molprobity     ?  False  
1168  1168  t        -117.5    69.3  Allowed     9     7  0.77    10  1.21  molprobity     ?  False  
1169  1169  ?          91.7    53.9  Favored     3     4  1.41     5  0.96  molprobity     ?  False  
1170  1170  mt-30     -48.3   -63.0  Allowed     8     9  1.11    12  1.07  molprobity     ?  False  
1171  1171  t0       -139.8    38.5  Allowed     4     8  1.01    11  1.16  molprobity     ?  False  
1172  1172  mm-40    -117.0    47.9  Allowed     6     9  1.59    12  1.21  molprobity     ?  False  
1173  1173  OUTLIER  -113.5    66.6  Allowed     7     7  0.79    10  1.15  molprobity     ?  False  
1174  1174  m-20     -121.9    40.5  Favored     4     8  0.98    11  1.17  molprobity     ?  False  
1175  1175  m-20          ?       ?  ?           4     7  1.02     8  1.32  molprobity     ?  False  
1176  1176  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
1177  1177  ?             ?       ?  ?           2     4  1.56     6  0.80  molprobity     ?  False  
1178  1178  Cg_endo   -72.8   168.1  Favored     7     8  0.55    11  0.46  molprobity     ?  False  
1179  1179  mt       -133.4   177.1  Favored    11     8  0.74    11  1.31  molprobity     ?  False  
1180  1180  ?         105.0    58.2  Allowed     3     4  1.51     5  0.84  molprobity     ?  False  
1181  1181  t        -143.2    96.1  Favored     5     6  0.81     8  1.48  molprobity     ?  False  
1182  1182  ?          96.5   125.4  Favored     3     4  1.50     5  0.84  molprobity     ?  False  
1183  1183  m        -145.7    60.3  Allowed     5     6  0.89     8  1.41  molprobity     ?  False  
1184  1184  mp0      -142.6    44.1  Allowed     6     9  1.55    12  1.28  molprobity     ?  False  
1185  1185  ?        -147.3    40.1  Allowed     3     4  1.63     5  0.78  molprobity     ?  False  
1186  1186  m-20     -127.0   -59.1  Allowed     6     8  0.92    11  1.25  molprobity     ?  False  
1187  1187  mmtt     -137.8    50.5  Allowed    13     9  0.76    11  1.47  molprobity     ?  False  
1188  1188  p        -141.3   160.2  Favored     9     7  0.75    10  1.14  molprobity     1  True   
1189  1189  mptt      -88.4    94.5  Favored    13     9  0.91    11  1.34  molprobity     1  True   
1190  1190  OUTLIER   -67.8   150.2  Favored    13    11  1.24    14  1.34  molprobity     1  True   
1191  1191  t         -78.9   172.1  Favored     7     7  1.04    10  1.02  molprobity     1  True   
1192  1192  p         -77.0   157.5  Favored     5     6  1.12     8  1.10  molprobity     1  True   
1193  1193  t         -75.4   160.7  Favored     4     6  1.13     8  1.34  molprobity     1  True   
1194  1194  ptp       -61.5   -35.3  Favored     9     8  1.04    10  1.12  molprobity     1  True   
1195  1195  m-85      -77.1   -33.5  Favored     9    13  1.95    18  1.20  molprobity     1  True   
1196  1196  ?          76.1   -87.6  Allowed     3     4  1.53     5  0.84  molprobity     1  True   
1197  1197  ?        -106.8    -3.2  Favored     5     5  1.04     7  1.56  molprobity     1  True   
1198  1198  m-80     -115.4    17.3  Favored     6     8  0.95    11  1.37  molprobity     1  True   
1199  1199  t         -45.1   139.7  Favored     4     6  1.43     8  1.24  molprobity     1  True   
1200  1200  p90      -117.2   -39.4  Favored     9    13  1.89    18  1.24  molprobity     1  True   
1201  1201  ptp85     -57.3   156.6  Favored    13    11  1.19    14  1.44  molprobity     1  True   
1202  1202  OUTLIER  -125.9    65.6  Allowed    13     9  0.83    11  1.42  molprobity     1  True   
1203  1203  m120     -110.0   144.2  Favored     6     8  0.98    12  1.15  molprobity     1  True   
1204  1204  Cg_endo   -72.5   -71.5  OUTLIER     7     8  0.51    11  0.64  molprobity     1  True   
1205  1205  t         -41.5   -28.6  Allowed     9     7  1.36    10  1.16  molprobity     1  True   
1206  1206  t60       -65.2   -37.6  Favored     7    11  1.04    15  0.92  molprobity     1  True   
1207  1207  m-85      -57.4   -31.0  Favored     9    12  1.81    16  0.98  molprobity     1  True   
1208  1208  OUTLIER   -79.9   -27.0  Favored     8     9  0.99    12  1.04  molprobity     1  True   
1209  1209  m170      -81.8   -37.9  Favored     7    11  0.94    15  0.91  molprobity     1  True   
1210  1210  m-85     -125.2   145.4  Favored     9    12  1.78    16  1.00  molprobity     1  True   
1211  1211  t         -94.2   170.3  Favored     5     6  0.88     8  1.11  molprobity     1  True   
1212  1212  m80      -140.3   158.8  Favored     7    11  0.79    16  0.98  molprobity     1  True   
1213  1213  Cg_endo   -61.6   139.7  Favored     7     8  0.52    11  0.81  molprobity     1  True   
1214  1214  ?          97.4    -1.6  Favored     3     4  1.68     5  0.96  molprobity     1  True   
1215  1215  m-20     -112.6   141.5  Favored     4     8  0.92    11  1.17  molprobity     1  True   
1216  1216  m         -51.6   -28.5  Favored     5     6  1.16     8  1.13  molprobity     1  True   
1217  1217  m-20      -92.4    -0.3  Favored     4     8  1.07    11  1.24  molprobity     1  True   
1218  1218  t80       -43.8   126.5  Favored     9    13  2.04    18  1.11  molprobity     1  True   
1219  1219  ?         -85.6   -24.1  Favored     3     4  1.49     5  1.01  molprobity     ?  False  
1220  1220  ?         116.0  -120.0  Favored     3     4  1.06     5  1.12  molprobity     ?  False  
1221  1221  t        -138.7    97.9  Allowed     9     7  0.78    10  1.19  molprobity     ?  False  
1222  1222  pt20     -157.4    87.1  Allowed     8     9  0.93    12  1.16  molprobity     ?  False  
1223  1223  mt        -88.4    71.6  Allowed    11     8  0.95    11  0.93  molprobity     ?  False  
1224  1224  t        -126.6    67.6  Allowed     9     7  0.78    10  1.19  molprobity     ?  False  
1225  1225  ?          95.9    51.3  Allowed     3     4  1.40     5  0.99  molprobity     ?  False  
1226  1226  mt-30     -48.9   -56.0  Favored     8     9  1.10    12  1.04  molprobity     ?  False  
1227  1227  p-10     -119.6    32.7  Favored     4     8  1.02    11  1.03  molprobity     ?  False  
1228  1228  mt-10    -124.0    62.6  Allowed     6     9  1.57    12  1.21  molprobity     ?  False  
1229  1229  OUTLIER  -110.2    65.8  Allowed     7     7  0.81    10  1.15  molprobity     ?  False  
1230  1230  OUTLIER  -110.5    87.0  Favored     4     8  1.04    11  1.11  molprobity     ?  False  
1231  1231  t0            ?       ?  ?           4     7  1.01     8  1.33  molprobity     ?  False  
1232  1232  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
1233  1233  ?             ?       ?  ?           2     4  1.56     6  0.81  molprobity     ?  False  
1234  1234  Cg_endo   -72.8   169.8  Favored     7     8  0.54    11  0.45  molprobity     ?  False  
1235  1235  mt       -132.0   104.0  Favored    11     8  0.71    11  1.32  molprobity     ?  False  
1236  1236  ?          94.2    43.6  Favored     3     4  1.49     5  0.84  molprobity     ?  False  
1237  1237  m        -131.9   -65.3  Allowed     5     6  0.81     8  1.49  molprobity     ?  False  
1238  1238  ?          88.7  -119.4  Favored     3     4  1.48     5  0.82  molprobity     ?  False  
1239  1239  OUTLIER  -116.4   128.7  Favored     5     6  0.89     8  1.35  molprobity     ?  False  
1240  1240  mt-10    -127.7    69.1  Allowed     6     9  1.56    12  1.29  molprobity     ?  False  
1241  1241  ?        -148.0    38.8  Allowed     3     4  1.66     5  0.78  molprobity     ?  False  
1242  1242  m-20     -126.4   -60.1  Allowed     6     8  0.91    11  1.26  molprobity     ?  False  
1243  1243  tppt?    -134.0    48.1  Favored    13     9  0.73    11  1.46  molprobity     ?  False  
1244  1244  t        -141.5   160.8  Favored     9     7  0.77    10  1.10  molprobity     1  True   
1245  1245  mttm      -95.5   100.5  Favored    13     9  0.88    11  1.38  molprobity     1  True   
1246  1246  OUTLIER   -80.9   161.8  Favored    13    11  1.25    14  1.44  molprobity     1  True   
1247  1247  t         -76.6   174.2  Favored     7     7  1.15    10  1.07  molprobity     1  True   
1248  1248  t         -94.7   130.0  Favored     5     6  1.08     8  0.99  molprobity     1  True   
1249  1249  t         -40.1   148.6  Allowed     4     6  1.24     8  1.41  molprobity     1  True   
1250  1250  ptp       -47.6   -37.8  Favored     9     8  1.08    10  1.09  molprobity     1  True   
1251  1251  m-85      -73.6   -35.2  Favored     9    13  1.89    18  1.28  molprobity     1  True   
1252  1252  ?          67.6   -86.6  Allowed     3     4  1.49     5  0.77  molprobity     1  True   
1253  1253  ?        -101.2     7.1  Favored     5     5  1.07     7  1.59  molprobity     1  True   
1254  1254  m-80     -134.9    25.1  Favored     6     8  0.97    11  1.40  molprobity     1  True   
1255  1255  t         -49.6   151.7  Allowed     4     6  1.35     8  1.18  molprobity     1  True   
1256  1256  p90      -126.3   -33.2  Favored     9    13  1.91    18  1.28  molprobity     1  True   
1257  1257  OUTLIER   -56.0   173.8  Allowed    13    11  1.37    14  1.41  molprobity     1  True   
1258  1258  ptpt     -143.7    55.9  Allowed    13     9  0.80    11  1.42  molprobity     1  True   
1259  1259  m120     -112.0   148.2  Favored     6     8  0.98    12  1.14  molprobity     1  True   
1260  1260  Cg_endo   -73.3   -66.5  OUTLIER     7     8  0.52    11  0.61  molprobity     1  True   
1261  1261  t         -43.0   -29.6  Allowed     9     7  1.27    10  1.07  molprobity     1  True   
1262  1262  t60       -63.9   -39.0  Favored     7    11  0.96    15  0.94  molprobity     1  True   
1263  1263  m-85      -56.1   -29.3  Favored     9    12  1.82    16  0.96  molprobity     1  True   
1264  1264  OUTLIER   -78.8   -29.7  Favored     8     9  1.00    12  1.05  molprobity     1  True   
1265  1265  m170      -75.3   -35.5  Favored     7    11  0.91    15  0.90  molprobity     1  True   
1266  1266  m-85     -134.8   138.2  Favored     9    12  1.79    16  1.00  molprobity     1  True   
1267  1267  m         -81.6   169.5  Favored     5     6  1.03     8  0.93  molprobity     1  True   
1268  1268  m80      -141.6   155.2  Favored     7    11  0.86    16  0.91  molprobity     1  True   
1269  1269  Cg_endo   -59.6   140.1  Favored     7     8  0.59    11  0.80  molprobity     1  True   
1270  1270  ?          94.6     0.8  Favored     3     4  1.89     5  0.90  molprobity     1  True   
1271  1271  m-20     -114.2   143.8  Favored     4     8  0.96    11  1.16  molprobity     1  True   
1272  1272  t         -50.0   -30.8  Favored     5     6  1.15     8  1.13  molprobity     1  True   
1273  1273  m-20      -90.8    -6.2  Favored     4     8  1.16    11  1.15  molprobity     1  True   
1274  1274  t80       -39.5   129.6  Allowed     9    13  2.08    18  1.23  molprobity     1  True   
1275  1275  ?        -173.9    70.6  OUTLIER     3     4  1.61     5  0.92  molprobity     ?  False  
1276  1276  ?        -137.9   -63.0  OUTLIER     3     4  1.43     5  0.48  molprobity     ?  False  
1277  1277  t          41.7    64.0  Allowed     9     7  0.95    10  1.21  molprobity     ?  False  
1278  1278  mt-30    -113.9    96.5  Favored     8     9  0.88    12  1.20  molprobity     ?  False  
1279  1279  mt       -108.9    71.5  Allowed    11     8  0.82    11  1.02  molprobity     ?  False  
1280  1280  t        -120.9    67.8  Allowed     9     7  0.80    10  1.18  molprobity     ?  False  
1281  1281  ?          92.2    51.4  Favored     3     4  1.38     5  0.99  molprobity     ?  False  
1282  1282  mt-30     -47.8   -62.5  Allowed     8     9  1.10    12  1.07  molprobity     ?  False  
1283  1283  OUTLIER  -132.1    39.6  Favored     4     8  0.98    11  1.16  molprobity     ?  False  
1284  1284  mt-10    -123.9    49.6  Allowed     6     9  1.60    12  1.22  molprobity     ?  False  
1285  1285  t        -131.4    62.7  Allowed     7     7  0.82    10  1.00  molprobity     ?  False  
1286  1286  m-20     -103.4    39.3  Allowed     4     8  1.04    11  1.07  molprobity     ?  False  
1287  1287  t70           ?       ?  ?           4     7  1.00     8  1.33  molprobity     ?  False  
1288  1288  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
1289  1289  ?             ?       ?  ?           2     4  1.55     6  0.80  molprobity     ?  False  
1290  1290  Cg_endo   -73.1   -43.7  Allowed     7     8  0.54    11  0.47  molprobity     ?  False  
1291  1291  tt       -127.9    87.9  Favored    11     8  0.72    11  1.31  molprobity     ?  False  
1292  1292  ?         106.2   149.2  Favored     3     4  1.52     5  0.85  molprobity     ?  False  
1293  1293  p        -122.2   137.0  Favored     5     6  0.81     8  1.48  molprobity     ?  False  
1294  1294  ?         130.5   107.0  Allowed     3     4  1.55     5  0.83  molprobity     ?  False  
1295  1295  OUTLIER  -123.9   134.8  Favored     5     6  0.84     8  1.40  molprobity     ?  False  
1296  1296  OUTLIER  -145.0   167.5  Favored     6     9  1.59    12  1.20  molprobity     ?  False  
1297  1297  ?         -62.5   -72.0  Allowed     3     4  1.51     5  0.83  molprobity     ?  False  
1298  1298  m-80     -139.5    57.8  Allowed     6     8  0.90    11  1.28  molprobity     ?  False  
1299  1299  mptt       52.3    58.1  Favored    13     9  0.87    11  1.47  molprobity     ?  False  
1300  1300  p        -140.7   152.6  Favored     9     7  0.77    10  1.19  molprobity     1  True   
1301  1301  mttp      -69.8    91.4  Allowed    13     9  0.96    11  1.31  molprobity     1  True   
1302  1302  OUTLIER   -58.0   158.3  Favored    13    11  1.14    14  1.36  molprobity     1  True   
1303  1303  t         -75.1   145.7  Favored     7     7  0.88    10  0.96  molprobity     1  True   
1304  1304  t         -56.4   163.2  Allowed     5     6  1.12     8  1.02  molprobity     1  True   
1305  1305  t         -78.3   162.3  Favored     4     6  1.12     8  1.31  molprobity     1  True   
1306  1306  mtm       -58.4   -31.2  Favored     9     8  1.09    10  1.23  molprobity     1  True   
1307  1307  m-85      -86.1   -26.1  Favored     9    13  1.90    18  1.30  molprobity     1  True   
1308  1308  ?          73.2   -89.8  Allowed     3     4  1.46     5  0.90  molprobity     1  True   
1309  1309  ?        -104.6    -1.2  Favored     5     5  0.92     7  1.52  molprobity     1  True   
1310  1310  m-80     -112.5    16.9  Favored     6     8  0.98    11  1.35  molprobity     1  True   
1311  1311  t         -49.2   143.8  Favored     4     6  1.34     8  1.19  molprobity     1  True   
1312  1312  p90      -120.8   -33.9  Favored     9    13  1.94    18  1.25  molprobity     1  True   
1313  1313  OUTLIER   -72.6   174.5  Favored    13    11  1.20    14  1.43  molprobity     1  True   
1314  1314  OUTLIER  -158.6    93.3  Allowed    13     9  0.87    11  1.51  molprobity     1  True   
1315  1315  m120     -115.2   162.4  Favored     6     8  1.01    12  1.15  molprobity     1  True   
1316  1316  Cg_endo   -74.3   -26.0  Favored     7     8  0.69    11  0.48  molprobity     1  True   
1317  1317  t         -96.8   -25.4  Favored     9     7  0.98    10  1.08  molprobity     1  True   
1318  1318  t60       -61.9   -36.0  Favored     7    11  0.86    15  0.96  molprobity     1  True   
1319  1319  m-85      -58.1   -26.7  Favored     9    12  1.84    16  1.00  molprobity     1  True   
1320  1320  OUTLIER   -83.0   -31.1  Favored     8     9  0.98    12  1.07  molprobity     1  True   
1321  1321  m170      -75.5   -34.3  Favored     7    11  0.98    15  0.97  molprobity     1  True   
1322  1322  m-85     -137.2   145.7  Favored     9    12  1.82    16  1.03  molprobity     1  True   
1323  1323  m         -91.4   170.0  Favored     5     6  0.94     8  0.97  molprobity     1  True   
1324  1324  m80      -141.6   153.5  Favored     7    11  0.72    16  0.95  molprobity     1  True   
1325  1325  Cg_endo   -62.3   140.1  Favored     7     8  0.47    11  0.98  molprobity     1  True   
1326  1326  ?          96.3     1.6  Favored     3     4  1.79     5  1.00  molprobity     1  True   
1327  1327  OUTLIER  -115.7   156.9  Favored     4     8  0.95    11  1.21  molprobity     1  True   
1328  1328  t         -62.4   -29.1  Favored     5     6  1.04     8  1.05  molprobity     1  True   
1329  1329  m-20      -94.4     6.1  Favored     4     8  1.14    11  1.28  molprobity     1  True   
1330  1330  t80       -48.6   134.6  Favored     9    13  2.02    18  1.18  molprobity     1  True   
1331  1331  ?        -155.4    45.0  Allowed     3     4  1.53     5  0.87  molprobity     ?  False  
1332  1332  ?        -109.3   -56.0  Allowed     3     4  1.11     5  0.74  molprobity     ?  False  
1333  1333  t          42.0    69.3  OUTLIER     9     7  0.83    10  1.29  molprobity     ?  False  
1334  1334  mt-30    -102.0    53.7  Allowed     8     9  0.94    12  1.10  molprobity     ?  False  
1335  1335  mt         50.0    68.0  Allowed    11     8  0.86    11  1.07  molprobity     ?  False  
1336  1336  t        -107.6    65.3  Allowed     9     7  0.80    10  1.15  molprobity     ?  False  
1337  1337  ?          98.2    52.0  Allowed     3     4  1.37     5  1.03  molprobity     ?  False  
1338  1338  mm-40     -59.4   -49.8  Favored     8     9  1.10    12  0.92  molprobity     ?  False  
1339  1339  OUTLIER  -110.8    37.4  Favored     4     8  1.00    11  1.12  molprobity     ?  False  
1340  1340  mt-10    -135.6    62.6  Allowed     6     9  1.59    12  1.23  molprobity     ?  False  
1341  1341  OUTLIER  -114.0    65.1  Allowed     7     7  0.79    10  1.16  molprobity     ?  False  
1342  1342  m-20     -130.4    83.3  Favored     4     8  1.02    11  1.17  molprobity     ?  False  
1343  1343  p30           ?       ?  ?           4     7  1.05     8  1.25  molprobity     ?  False  
1344  1344  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
1345  1345  ?             ?       ?  ?           2     4  1.51     6  0.79  molprobity     ?  False  
1346  1346  Cg_endo   -72.8   130.7  Favored     7     8  0.55    11  0.45  molprobity     ?  False  
1347  1347  mp       -118.5  -174.2  Favored    11     8  0.74    11  1.31  molprobity     ?  False  
1348  1348  ?        -112.8   -58.0  Allowed     3     4  1.52     5  0.84  molprobity     ?  False  
1349  1349  t        -132.9    48.6  Favored     5     6  0.81     8  1.49  molprobity     ?  False  
1350  1350  ?        -126.2   143.0  Favored     3     4  1.51     5  0.82  molprobity     ?  False  
1351  1351  p        -122.7   -65.8  Allowed     5     6  0.84     8  1.39  molprobity     ?  False  
1352  1352  mt-10    -144.0    75.3  Allowed     6     9  1.58    12  1.28  molprobity     ?  False  
1353  1353  ?        -156.9    39.5  Allowed     3     4  1.71     5  0.75  molprobity     ?  False  
1354  1354  m-80     -126.2   -59.6  Allowed     6     8  0.91    11  1.27  molprobity     ?  False  
1355  1355  mptt     -139.1    52.3  Allowed    13     9  0.76    11  1.46  molprobity     ?  False  
1356  1356  t        -142.8   157.2  Favored     9     7  0.80    10  1.12  molprobity     1  True   
1357  1357  OUTLIER   -81.4    86.9  Favored    13     9  0.98    11  1.30  molprobity     1  True   
1358  1358  OUTLIER   -61.2   153.7  Favored    13    11  1.27    14  1.26  molprobity     1  True   
1359  1359  t         -71.1   142.5  Favored     7     7  0.84    10  0.97  molprobity     1  True   
1360  1360  t         -53.0   165.2  Allowed     5     6  1.17     8  0.94  molprobity     1  True   
1361  1361  t         -87.5   157.0  Favored     4     6  1.05     8  1.30  molprobity     1  True   
1362  1362  ptp       -55.2   -31.6  Favored     9     8  1.06    10  1.17  molprobity     1  True   
1363  1363  m-85      -93.5   -20.7  Favored     9    13  1.91    18  1.43  molprobity     1  True   
1364  1364  ?          62.5   -98.9  Allowed     3     4  1.47     5  0.72  molprobity     1  True   
1365  1365  ?         -91.6   -13.3  Favored     5     5  1.05     7  1.35  molprobity     1  True   
1366  1366  m-80     -104.5    16.4  Favored     6     8  0.97    11  1.31  molprobity     1  True   
1367  1367  t         -48.9   139.8  Favored     4     6  1.35     8  1.16  molprobity     1  True   
1368  1368  p90      -117.0   -37.2  Favored     9    13  1.90    18  1.21  molprobity     1  True   
1369  1369  OUTLIER   -79.7   153.7  Favored    13    11  1.22    14  1.46  molprobity     1  True   
1370  1370  OUTLIER  -146.7   108.3  Favored    13     9  0.83    11  1.41  molprobity     1  True   
1371  1371  m-20     -119.0   167.5  Favored     6     8  0.98    12  1.20  molprobity     1  True   
1372  1372  Cg_endo   -72.2   -27.7  Favored     7     8  0.63    11  0.48  molprobity     1  True   
1373  1373  t         -98.2   -24.4  Favored     9     7  1.02    10  1.12  molprobity     1  True   
1374  1374  t60       -61.9   -38.1  Favored     7    11  0.95    15  0.92  molprobity     1  True   
1375  1375  m-85      -57.0   -28.8  Favored     9    12  1.84    16  0.97  molprobity     1  True   
1376  1376  OUTLIER   -82.1   -32.5  Favored     8     9  1.01    12  1.01  molprobity     1  True   
1377  1377  m170      -72.0   -32.0  Favored     7    11  0.93    15  0.98  molprobity     1  True   
1378  1378  m-85     -140.0   148.1  Favored     9    12  1.80    16  1.04  molprobity     1  True   
1379  1379  m         -87.6   168.8  Favored     5     6  1.01     8  0.90  molprobity     1  True   
1380  1380  m80      -143.7   153.3  Favored     7    11  0.72    16  0.92  molprobity     1  True   
1381  1381  Cg_endo   -62.1   139.1  Favored     7     8  0.47    11  0.84  molprobity     1  True   
1382  1382  ?         100.4    -0.8  Favored     3     4  1.79     5  0.97  molprobity     1  True   
1383  1383  t0       -116.4   158.1  Favored     4     8  0.95    11  1.17  molprobity     1  True   
1384  1384  m         -64.0   -28.0  Favored     5     6  0.94     8  1.09  molprobity     1  True   
1385  1385  m-20      -91.7     2.4  Favored     4     8  1.21    11  1.25  molprobity     1  True   
1386  1386  t80       -48.1   130.6  Favored     9    13  2.04    18  1.16  molprobity     1  True   
1387  1387  ?        -170.5    76.8  Allowed     3     4  1.49     5  0.95  molprobity     ?  False  
1388  1388  ?        -178.3    56.2  OUTLIER     3     4  1.57     5  0.58  molprobity     ?  False  
1389  1389  t         -75.2    77.8  Allowed     9     7  0.96    10  1.10  molprobity     ?  False  
1390  1390  OUTLIER  -142.6    94.9  Favored     8     9  0.95    12  1.04  molprobity     ?  False  
1391  1391  mp       -111.0    72.5  Allowed    11     8  0.85    11  1.03  molprobity     ?  False  
1392  1392  t        -118.1    67.5  Allowed     9     7  0.80    10  1.18  molprobity     ?  False  
1393  1393  ?          88.2    52.8  Favored     3     4  1.47     5  1.00  molprobity     ?  False  
1394  1394  mt-30     -47.5   -65.3  Allowed     8     9  1.13    12  1.08  molprobity     ?  False  
1395  1395  m-20     -155.6    39.4  Allowed     4     8  1.06    11  1.18  molprobity     ?  False  
1396  1396  tp10     -115.6    45.9  Allowed     6     9  1.57    12  1.21  molprobity     ?  False  
1397  1397  OUTLIER  -114.8    66.5  Allowed     7     7  0.77    10  1.15  molprobity     ?  False  
1398  1398  m-20     -122.1    42.4  Favored     4     8  1.02    11  1.16  molprobity     ?  False  
1399  1399  t70           ?       ?  ?           4     7  1.01     8  1.34  molprobity     ?  False  
1400  1400  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  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    24  CD1     1  0.41  2.88  
  2    25  N       1  0.41  2.88  
  3    34  CD1     2  0.42  2.87  
  4    34  N       2  0.42  2.87  
  5    45  HG12    3  0.44  2.12  
  6    45  O       3  0.44  2.12  
  7    47  HG23    4  0.45  2.31  
  8    50  CD      4  0.45  2.31  
  9    50  O       5  0.42  2.37  
 10    53  OG1     5  0.42  2.37  
 11    76  O       6  0.40  2.70  
 12    78  O       7  0.45  2.50  
 13    80  N       7  0.45  2.50  
 14    90  CD1     8  0.43  2.86  
 15    90  N       8  0.43  2.86  
 16    93  CD      6  0.40  2.70  
 17   101  HG12    9  0.46  2.11  
 18   101  O       9  0.46  2.11  
 19   126  CB     10  0.49  2.61  
 20   132  O      11  0.40  2.69  
 21   134  O      12  0.42  2.52  
 22   136  N      12  0.42  2.52  
 23   147  OG     10  0.49  2.61  
 24   149  CD     11  0.40  2.69  
 25   157  HG12   13  0.49  2.07  
 26   157  O      13  0.49  2.07  
 27   159  HG23   14  0.48  2.39  
 28   159  HG23   15  0.45  1.89  
 29   162  CG     14  0.48  2.39  
 30   162  HG2    15  0.45  1.89  
 31   182  CB     16  0.42  2.66  
 32   182  HB2    17  0.42  2.15  
 33   184  OG     18  0.46  2.65  
 34   192  OH     19  0.47  2.48  
 35   192  CD1    20  0.46  2.84  
 36   193  NH1    19  0.47  2.48  
 37   193  N      20  0.46  2.84  
 38   203  OG     16  0.42  2.66  
 39   203  OG     17  0.42  2.15  
 40   210  CE1    18  0.46  2.65  
 41   210  CD2    21  0.40  2.90  
 42   213  O      22  0.51  2.05  
 43   213  HG13   22  0.51  2.05  
 44   214  NE2    21  0.40  2.90  
 45   215  HG23   23  0.46  2.31  
 46   215  N      24  0.41  2.31  
 47   215  HD12   24  0.41  2.31  
 48   218  CD     23  0.46  2.31  
 49   244  O      25  0.41  2.69  
 50   246  O      26  0.49  2.45  
 51   248  N      26  0.49  2.45  
 52   248  CD1    27  0.43  2.86  
 53   249  N      27  0.43  2.86  
 54   258  CD1    28  0.40  2.88  
 55   258  N      28  0.40  2.88  
 56   261  CD     25  0.41  2.69  
 57   266  CE2    29  0.40  2.52  
 58   269  HG22   29  0.40  2.52  
 59   271  HG23   30  0.60  2.25  
 60   271  HG23   31  0.54  1.79  
 61   274  CG     30  0.60  2.25  
 62   274  HG2    31  0.54  1.79  
 63   304  CD1    32  0.46  2.84  
 64   305  N      32  0.46  2.84  
 65   305  NH1    33  0.45  2.84  
 66   310  CE1    33  0.45  2.84  
 67   314  CD1    34  0.40  2.89  
 68   314  N      34  0.40  2.89  
 69   327  HG23   35  0.52  2.25  
 70   330  CD     35  0.52  2.25  
 71   344  HG2    36  0.42  1.90  
 72   344  CB     37  0.41  2.45  
 73   344  CG     38  0.41  2.45  
 74   348  HG11   36  0.42  1.90  
 75   348  HG11   37  0.41  2.45  
 76   348  HG11   38  0.41  2.45  
 77   356  O      39  0.40  2.69  
 78   358  O      40  0.43  2.51  
 79   360  N      40  0.43  2.51  
 80   370  CD1    41  0.44  2.85  
 81   370  N      41  0.44  2.85  
 82   373  CD     39  0.40  2.69  
 83   381  HG12   42  0.44  2.13  
 84   381  O      42  0.44  2.13  
 85   382  CG     43  0.40  2.69  
 86   382  O      43  0.40  2.69  
 87   383  HG23   44  0.41  2.36  
 88   386  CD     44  0.41  2.36  
 89   416  CD1    45  0.43  2.87  
 90   417  N      45  0.43  2.87  
 91   425  CD2    46  0.40  2.89  
 92   425  N      46  0.40  2.89  
 93   445  HG23   47  0.43  2.14  
 94   445  O      47  0.43  2.14  
 95   462  O      48  0.43  2.34  
 96   472  CD1    49  0.44  2.85  
 97   473  N      49  0.44  2.85  
 98   483  OG     48  0.43  2.34  
 99   493  O      50  0.51  2.03  
100   493  HG13   50  0.51  2.03  
101   495  HG22   51  0.46  2.10  
102   495  O      51  0.46  2.10  
103   496  O      52  0.44  2.13  
104   496  HG12   52  0.44  2.13  
105   528  CD1    53  0.47  2.83  
106   529  N      53  0.47  2.83  
107   549  HG12   54  0.51  2.05  
108   549  O      54  0.51  2.05  
109   551  HG23   55  0.47  2.29  
110   554  CD     55  0.47  2.29  
111   574  HB2    56  0.40  2.16  
112   576  OG     57  0.42  2.68  
113   582  O      58  0.41  2.53  
114   584  N      58  0.41  2.53  
115   594  CD1    59  0.42  2.87  
116   594  N      59  0.42  2.87  
117   595  OG     56  0.40  2.16  
118   602  CE2    60  0.44  2.85  
119   602  CE1    57  0.42  2.68  
120   605  O      61  0.55  2.02  
121   605  HG13   61  0.55  2.02  
122   606  NE2    60  0.44  2.85  
123   608  HG13   62  0.51  2.04  
124   608  O      62  0.51  2.04  
125   630  CB     63  0.44  2.65  
126   634  CE     64  0.41  3.03  
127   635  CE2    64  0.41  3.03  
128   638  O      65  0.43  2.51  
129   640  N      65  0.43  2.51  
130   651  OG     63  0.44  2.65  
131   686  CB     66  0.46  2.63  
132   696  CD1    67  0.45  2.85  
133   696  CD1    68  0.41  2.94  
134   696  C      68  0.41  2.94  
135   697  N      67  0.45  2.85  
136   697  NH1    69  0.43  2.86  
137   703  CZ     69  0.43  2.86  
138   707  OG     66  0.46  2.63  
139   719  HG23   70  0.69  2.08  
140   719  HG23   71  0.46  2.25  
141   722  CD     70  0.69  2.08  
142   722  NE2    71  0.46  2.25  
143   744  OG     72  0.43  2.52  
144   752  CD1    73  0.46  2.83  
145   753  N      73  0.46  2.83  
146   770  CZ     74  0.41  2.74  
147   772  O      74  0.41  2.74  
148   774  NE2    72  0.43  2.52  
149   776  O      75  0.45  2.11  
150   776  HG12   75  0.45  2.11  
151   808  CD1    76  0.45  2.84  
152   809  N      76  0.45  2.84  
153   817  CD2    77  0.41  2.87  
154   817  N      77  0.41  2.87  
155   833  O      78  0.41  2.15  
156   834  HB2    78  0.41  2.15  
157   864  CD1    79  0.44  2.85  
158   865  N      79  0.44  2.85  
159   882  CD2    80  0.42  2.87  
160   885  O      81  0.53  2.03  
161   885  HG13   81  0.53  2.03  
162   886  NE2    80  0.42  2.87  
163   887  HG23   82  0.48  2.29  
164   890  CD     82  0.48  2.29  
165   910  NE     83  0.42  2.53  
166   912  OG     84  0.42  2.53  
167   920  CD1    85  0.47  2.83  
168   921  N      85  0.47  2.83  
169   928  O      83  0.42  2.53  
170   942  NE2    84  0.42  2.53  
171   942  O      86  0.40  2.70  
172   942  CG     86  0.40  2.70  
173   943  HG23   87  0.47  2.29  
174   946  CD     87  0.47  2.29  
175   966  CB     88  0.48  2.61  
176   976  CD1    89  0.47  2.81  
177   977  N      89  0.47  2.81  
178   977  NH1    90  0.43  2.86  
179   982  CE1    90  0.43  2.86  
180   987  OG     88  0.48  2.61  
181   994  CE2    91  0.47  2.83  
182   994  CD2    92  0.46  2.84  
183   997  O      93  0.55  2.02  
184   997  HG13   93  0.55  2.02  
185   998  NE2    91  0.47  2.83  
186   998  NE2    92  0.46  2.84  
187   999  HG23   94  0.42  2.35  
188  1002  CD     94  0.42  2.35  
189  1022  CB     95  0.47  2.63  
190  1022  HB3    96  0.43  2.13  
191  1032  CD1    97  0.48  2.81  
192  1033  N      97  0.48  2.81  
193  1043  OG     95  0.47  2.63  
194  1043  OG     96  0.43  2.13  
195  1055  HG23   98  0.71  2.04  
196  1055  HG23   99  0.53  2.18  
197  1055  N     100  0.47  2.24  
198  1055  HD12  100  0.47  2.24  
199  1058  CD     98  0.71  2.04  
200  1058  NE2    99  0.53  2.18  
201  1088  CD1   101  0.46  2.83  
202  1089  N     101  0.46  2.83  
203  1098  CD1   102  0.40  2.90  
204  1098  N     102  0.40  2.90  
205  1109  HG12  103  0.46  2.10  
206  1109  O     103  0.46  2.10  
207  1111  HG23  104  0.45  2.32  
208  1111  HG22  105  0.41  2.15  
209  1111  O     105  0.41  2.15  
210  1114  CD    104  0.45  2.32  
211  1134  CB    106  0.45  2.65  
212  1144  CD1   107  0.46  2.84  
213  1145  N     107  0.46  2.84  
214  1155  OG    106  0.45  2.65  
215  1162  CD2   108  0.43  2.86  
216  1165  O     109  0.51  2.05  
217  1165  HG13  109  0.51  2.05  
218  1166  NE2   108  0.43  2.86  
219  1167  HG23  110  0.45  2.32  
220  1170  CD    110  0.45  2.32  
221  1200  CD1   111  0.45  2.85  
222  1201  N     111  0.45  2.85  
223  1210  CD1   112  0.41  2.88  
224  1210  N     112  0.41  2.88  
225  1223  HG23  113  0.42  2.34  
226  1226  CD    113  0.42  2.34  
227  1246  CB    114  0.49  2.61  
228  1247  O     115  0.40  2.48  
229  1256  CD1   116  0.42  2.88  
230  1257  N     116  0.42  2.88  
231  1267  OG    114  0.49  2.61  
232  1267  N     115  0.40  2.48  
233  1277  HG12  117  0.48  2.08  
234  1277  O     117  0.48  2.08  
235  1279  HG23  118  0.52  2.25  
236  1282  CD    118  0.52  2.25  
237  1302  CB    119  0.49  2.61  
238  1312  CD1   120  0.41  2.88  
239  1313  N     120  0.41  2.88  
240  1323  OG    119  0.49  2.61  
241  1333  O     121  0.41  2.16  
242  1333  HG12  121  0.41  2.16  
243  1335  HG22  122  0.46  2.11  
244  1335  O     122  0.46  2.11  
245  1358  CB    123  0.47  2.62  
246  1368  CD1   124  0.46  2.83  
247  1369  N     124  0.46  2.83  
248  1379  OG    123  0.47  2.62  
249  1391  HG23  125  0.55  2.22  
250  1391  HG23  126  0.40  2.31  
251  1391  N     127  0.54  2.18  
252  1391  HD12  127  0.54  2.18  
253  1394  CD    125  0.55  2.22  
254  1394  NE2   126  0.40  2.31  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        True  
 2  3        ?     
 3  1        ?     
 4  1        ?     
 5  3        True  
 6  2        ?     
 7  3        ?     
 8  2        ?     
 9  2        ?     
10  outlier  ?     
11  1        ?     
12  1        ?     
13  outlier  ?     
14  2        ?     
15  2        True  
16  2        ?     
17  2        ?     
18  2        ?     
19  1        ?     
20  1        ?     
21  1        ?     
22  2        ?     
23  outlier  ?     
24  1        ?     
25  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  31
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.310
_pdbx_vrpt_cyrange_domain.medoid_model        17
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.379
_pdbx_vrpt_cyrange_domain.residue_string      A:374-A:404
#
_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_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    375
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           562
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           937
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            937
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_unmapped_chemical_shift.ordinal
_pdbx_vrpt_unmapped_chemical_shift.auth_asym_id
_pdbx_vrpt_unmapped_chemical_shift.rescode
_pdbx_vrpt_unmapped_chemical_shift.auth_seq_id
_pdbx_vrpt_unmapped_chemical_shift.label_atom_id
_pdbx_vrpt_unmapped_chemical_shift.value
_pdbx_vrpt_unmapped_chemical_shift.error
_pdbx_vrpt_unmapped_chemical_shift.ambiguity
_pdbx_vrpt_unmapped_chemical_shift.diagnostic
  1  A  ARG  418  H       7.891  0.020  1  "No matching atoms found in structure"  
  2  A  ARG  418  HA      4.413  0.020  1  "No matching atoms found in structure"  
  3  A  ARG  418  HB2     1.689  0.020  2  "No matching atoms found in structure"  
  4  A  ARG  418  HB3     1.667  0.020  2  "No matching atoms found in structure"  
  5  A  ARG  418  HD2     3.276  0.020  2  "No matching atoms found in structure"  
  6  A  ARG  418  HD3     2.796  0.020  2  "No matching atoms found in structure"  
  7  A  ARG  418  HG2     1.796  0.020  2  "No matching atoms found in structure"  
  8  A  ARG  418  HG3     1.672  0.020  2  "No matching atoms found in structure"  
  9  A  ARG  418  CA     55.001  0.100  1  "No matching atoms found in structure"  
 10  A  ARG  418  CB     30.612  0.100  1  "No matching atoms found in structure"  
 11  A  ARG  418  CD     44.073  0.100  1  "No matching atoms found in structure"  
 12  A  ARG  418  CG     26.348  0.100  1  "No matching atoms found in structure"  
 13  A  ARG  418  N     121.518  0.100  1  "No matching atoms found in structure"  
 14  A  PRO  419  HA      4.535  0.020  1  "No matching atoms found in structure"  
 15  A  PRO  419  HB2     2.340  0.020  2  "No matching atoms found in structure"  
 16  A  PRO  419  HB3     1.982  0.020  2  "No matching atoms found in structure"  
 17  A  PRO  419  HD2     3.754  0.020  2  "No matching atoms found in structure"  
 18  A  PRO  419  HD3     3.687  0.020  2  "No matching atoms found in structure"  
 19  A  PRO  419  HG2     1.853  0.020  1  "No matching atoms found in structure"  
 20  A  PRO  419  HG3     1.853  0.020  1  "No matching atoms found in structure"  
 21  A  PRO  419  CA     61.998  0.100  1  "No matching atoms found in structure"  
 22  A  PRO  419  CB     31.823  0.100  1  "No matching atoms found in structure"  
 23  A  PRO  419  CD     50.164  0.100  1  "No matching atoms found in structure"  
 24  A  PRO  419  CG     27.106  0.100  1  "No matching atoms found in structure"  
 25  A  GLU  420  H       8.597  0.020  1  "No matching atoms found in structure"  
 26  A  GLU  420  HA      4.225  0.020  1  "No matching atoms found in structure"  
 27  A  GLU  420  HB2     1.882  0.020  1  "No matching atoms found in structure"  
 28  A  GLU  420  HB3     1.882  0.020  1  "No matching atoms found in structure"  
 29  A  GLU  420  HG2     2.233  0.020  2  "No matching atoms found in structure"  
 30  A  GLU  420  HG3     2.191  0.020  2  "No matching atoms found in structure"  
 31  A  GLU  420  CA     55.891  0.100  1  "No matching atoms found in structure"  
 32  A  GLU  420  CB     30.367  0.100  1  "No matching atoms found in structure"  
 33  A  GLU  420  CG     36.356  0.100  1  "No matching atoms found in structure"  
 34  A  GLU  420  N     120.636  0.100  1  "No matching atoms found in structure"  
 35  A  CYS  421  H       8.303  0.020  1  "No matching atoms found in structure"  
 36  A  CYS  421  HA      4.099  0.020  1  "No matching atoms found in structure"  
 37  A  CYS  421  HB2     2.406  0.020  2  "No matching atoms found in structure"  
 38  A  CYS  421  HB3     1.789  0.020  2  "No matching atoms found in structure"  
 39  A  CYS  421  CA     57.311  0.100  1  "No matching atoms found in structure"  
 40  A  CYS  421  CB     29.319  0.100  1  "No matching atoms found in structure"  
 41  A  CYS  421  N     127.139  0.100  1  "No matching atoms found in structure"  
 42  A  PRO  422  HA      4.355  0.020  1  "No matching atoms found in structure"  
 43  A  PRO  422  HB2     2.146  0.020  2  "No matching atoms found in structure"  
 44  A  PRO  422  HB3     1.521  0.020  2  "No matching atoms found in structure"  
 45  A  PRO  422  HD2     3.571  0.020  2  "No matching atoms found in structure"  
 46  A  PRO  422  HD3     3.452  0.020  2  "No matching atoms found in structure"  
 47  A  PRO  422  HG2     1.768  0.020  2  "No matching atoms found in structure"  
 48  A  PRO  422  HG3     1.203  0.020  2  "No matching atoms found in structure"  
 49  A  PRO  422  CA     64.044  0.100  1  "No matching atoms found in structure"  
 50  A  PRO  422  CB     32.088  0.100  1  "No matching atoms found in structure"  
 51  A  PRO  422  CD     51.580  0.100  1  "No matching atoms found in structure"  
 52  A  PRO  422  CG     26.295  0.100  1  "No matching atoms found in structure"  
 53  A  TYR  423  H       8.640  0.020  1  "No matching atoms found in structure"  
 54  A  TYR  423  HA      4.545  0.020  1  "No matching atoms found in structure"  
 55  A  TYR  423  HB2     3.145  0.020  2  "No matching atoms found in structure"  
 56  A  TYR  423  HB3     2.967  0.020  2  "No matching atoms found in structure"  
 57  A  TYR  423  HD1     7.177  0.020  3  "No matching atoms found in structure"  
 58  A  TYR  423  HD2     7.177  0.020  3  "No matching atoms found in structure"  
 59  A  TYR  423  HE1     6.768  0.020  3  "No matching atoms found in structure"  
 60  A  TYR  423  HE2     6.768  0.020  3  "No matching atoms found in structure"  
 61  A  TYR  423  CA     58.527  0.100  1  "No matching atoms found in structure"  
 62  A  TYR  423  CB     37.549  0.100  1  "No matching atoms found in structure"  
 63  A  TYR  423  CD1   133.004  0.100  3  "No matching atoms found in structure"  
 64  A  TYR  423  CD2   133.004  0.100  3  "No matching atoms found in structure"  
 65  A  TYR  423  CE1   118.119  0.100  3  "No matching atoms found in structure"  
 66  A  TYR  423  CE2   118.119  0.100  3  "No matching atoms found in structure"  
 67  A  TYR  423  N     119.569  0.100  1  "No matching atoms found in structure"  
 68  A  GLY  424  H       7.606  0.020  1  "No matching atoms found in structure"  
 69  A  GLY  424  HA2     4.021  0.020  2  "No matching atoms found in structure"  
 70  A  GLY  424  HA3     4.379  0.020  2  "No matching atoms found in structure"  
 71  A  GLY  424  CA     45.770  0.100  1  "No matching atoms found in structure"  
 72  A  GLY  424  N     107.733  0.100  1  "No matching atoms found in structure"  
 73  A  PRO  425  HA      4.560  0.020  1  "No matching atoms found in structure"  
 74  A  PRO  425  HB2     2.459  0.020  1  "No matching atoms found in structure"  
 75  A  PRO  425  HB3     2.459  0.020  1  "No matching atoms found in structure"  
 76  A  PRO  425  HD2     3.977  0.020  2  "No matching atoms found in structure"  
 77  A  PRO  425  HD3     3.763  0.020  2  "No matching atoms found in structure"  
 78  A  PRO  425  HG2     2.109  0.020  1  "No matching atoms found in structure"  
 79  A  PRO  425  HG3     2.109  0.020  1  "No matching atoms found in structure"  
 80  A  PRO  425  CA     64.402  0.100  1  "No matching atoms found in structure"  
 81  A  PRO  425  CB     32.223  0.100  1  "No matching atoms found in structure"  
 82  A  PRO  425  CD     50.654  0.100  1  "No matching atoms found in structure"  
 83  A  PRO  425  CG     27.201  0.100  1  "No matching atoms found in structure"  
 84  A  SER  426  H       8.072  0.020  1  "No matching atoms found in structure"  
 85  A  SER  426  HA      4.566  0.020  1  "No matching atoms found in structure"  
 86  A  SER  426  HB2     4.038  0.020  1  "No matching atoms found in structure"  
 87  A  SER  426  HB3     4.038  0.020  1  "No matching atoms found in structure"  
 88  A  SER  426  CA     57.738  0.100  1  "No matching atoms found in structure"  
 89  A  SER  426  CB     63.162  0.100  1  "No matching atoms found in structure"  
 90  A  SER  426  N     112.851  0.100  1  "No matching atoms found in structure"  
 91  A  CYS  427  H       7.606  0.020  1  "No matching atoms found in structure"  
 92  A  CYS  427  HA      3.724  0.020  1  "No matching atoms found in structure"  
 93  A  CYS  427  HB2     3.338  0.020  2  "No matching atoms found in structure"  
 94  A  CYS  427  HB3     3.058  0.020  2  "No matching atoms found in structure"  
 95  A  CYS  427  CA     61.712  0.100  1  "No matching atoms found in structure"  
 96  A  CYS  427  CB     29.798  0.100  1  "No matching atoms found in structure"  
 97  A  CYS  427  N     123.514  0.100  1  "No matching atoms found in structure"  
 98  A  TYR  428  H       7.686  0.020  1  "No matching atoms found in structure"  
 99  A  TYR  428  HA      4.782  0.020  1  "No matching atoms found in structure"  
100  A  TYR  428  HB2     3.128  0.020  2  "No matching atoms found in structure"  
101  A  TYR  428  HB3     2.989  0.020  2  "No matching atoms found in structure"  
102  A  TYR  428  HD1     7.071  0.020  3  "No matching atoms found in structure"  
103  A  TYR  428  HD2     7.071  0.020  3  "No matching atoms found in structure"  
104  A  TYR  428  HE1     6.737  0.020  3  "No matching atoms found in structure"  
105  A  TYR  428  HE2     6.737  0.020  3  "No matching atoms found in structure"  
106  A  TYR  428  CA     56.505  0.100  1  "No matching atoms found in structure"  
107  A  TYR  428  CB     38.153  0.100  1  "No matching atoms found in structure"  
108  A  TYR  428  CD1   133.560  0.100  3  "No matching atoms found in structure"  
109  A  TYR  428  CD2   133.560  0.100  3  "No matching atoms found in structure"  
110  A  TYR  428  CE1   118.267  0.100  3  "No matching atoms found in structure"  
111  A  TYR  428  CE2   118.267  0.100  3  "No matching atoms found in structure"  
112  A  TYR  428  N     126.466  0.100  1  "No matching atoms found in structure"  
113  A  ARG  429  H       7.969  0.020  1  "No matching atoms found in structure"  
114  A  ARG  429  HA      4.012  0.020  1  "No matching atoms found in structure"  
115  A  ARG  429  HB2     1.508  0.020  2  "No matching atoms found in structure"  
116  A  ARG  429  HB3     1.203  0.020  2  "No matching atoms found in structure"  
117  A  ARG  429  HD2     2.466  0.020  2  "No matching atoms found in structure"  
118  A  ARG  429  HD3     2.373  0.020  2  "No matching atoms found in structure"  
119  A  ARG  429  HG2     1.194  0.020  2  "No matching atoms found in structure"  
120  A  ARG  429  HG3     1.009  0.020  2  "No matching atoms found in structure"  
121  A  ARG  429  CA     57.177  0.100  1  "No matching atoms found in structure"  
122  A  ARG  429  CB     29.875  0.100  1  "No matching atoms found in structure"  
123  A  ARG  429  CD     42.234  0.100  1  "No matching atoms found in structure"  
124  A  ARG  429  CG     26.779  0.100  1  "No matching atoms found in structure"  
125  A  ARG  429  N     123.918  0.100  1  "No matching atoms found in structure"  
126  A  PRO  432  HA      4.254  0.020  1  "No matching atoms found in structure"  
127  A  PRO  432  HB2     2.470  0.020  1  "No matching atoms found in structure"  
128  A  PRO  432  HB3     2.470  0.020  1  "No matching atoms found in structure"  
129  A  PRO  432  HD2     4.107  0.020  2  "No matching atoms found in structure"  
130  A  PRO  432  HD3     3.945  0.020  2  "No matching atoms found in structure"  
131  A  PRO  432  HG2     2.219  0.020  2  "No matching atoms found in structure"  
132  A  PRO  432  HG3     2.104  0.020  2  "No matching atoms found in structure"  
133  A  PRO  432  CA     65.569  0.100  1  "No matching atoms found in structure"  
134  A  PRO  432  CB     32.244  0.100  1  "No matching atoms found in structure"  
135  A  PRO  432  CD     51.419  0.100  1  "No matching atoms found in structure"  
136  A  PRO  432  CG     27.639  0.100  1  "No matching atoms found in structure"  
137  A  GLN  433  H       8.407  0.020  1  "No matching atoms found in structure"  
138  A  GLN  433  HA      4.107  0.020  1  "No matching atoms found in structure"  
139  A  GLN  433  HB2     2.218  0.020  2  "No matching atoms found in structure"  
140  A  GLN  433  HB3     2.118  0.020  2  "No matching atoms found in structure"  
141  A  GLN  433  HE21    7.801  0.020  1  "No matching atoms found in structure"  
142  A  GLN  433  HE22    6.897  0.020  1  "No matching atoms found in structure"  
143  A  GLN  433  HG2     2.499  0.020  1  "No matching atoms found in structure"  
144  A  GLN  433  HG3     2.499  0.020  1  "No matching atoms found in structure"  
145  A  GLN  433  CA     58.510  0.100  1  "No matching atoms found in structure"  
146  A  GLN  433  CB     27.706  0.100  1  "No matching atoms found in structure"  
147  A  GLN  433  CG     33.702  0.100  1  "No matching atoms found in structure"  
148  A  GLN  433  N     116.801  0.100  1  "No matching atoms found in structure"  
149  A  GLN  433  NE2   112.339  0.100  1  "No matching atoms found in structure"  
150  A  HIS  434  H       8.002  0.020  1  "No matching atoms found in structure"  
151  A  HIS  434  HA      4.575  0.020  1  "No matching atoms found in structure"  
152  A  HIS  434  HB2     3.398  0.020  2  "No matching atoms found in structure"  
153  A  HIS  434  HB3     3.389  0.020  2  "No matching atoms found in structure"  
154  A  HIS  434  HD2     6.961  0.020  1  "No matching atoms found in structure"  
155  A  HIS  434  HE1     7.660  0.020  1  "No matching atoms found in structure"  
156  A  HIS  434  CA     60.168  0.100  1  "No matching atoms found in structure"  
157  A  HIS  434  CB     28.212  0.100  1  "No matching atoms found in structure"  
158  A  HIS  434  CD2   127.471  0.100  1  "No matching atoms found in structure"  
159  A  HIS  434  CE1   139.924  0.100  1  "No matching atoms found in structure"  
160  A  HIS  434  N     119.182  0.100  1  "No matching atoms found in structure"  
161  A  LYS  435  H       7.260  0.020  1  "No matching atoms found in structure"  
162  A  LYS  435  HA      4.166  0.020  1  "No matching atoms found in structure"  
163  A  LYS  435  HB2     2.028  0.020  2  "No matching atoms found in structure"  
164  A  LYS  435  HB3     1.889  0.020  2  "No matching atoms found in structure"  
165  A  LYS  435  HD2     1.614  0.020  1  "No matching atoms found in structure"  
166  A  LYS  435  HD3     1.614  0.020  1  "No matching atoms found in structure"  
167  A  LYS  435  HE2     2.899  0.020  1  "No matching atoms found in structure"  
168  A  LYS  435  HE3     2.899  0.020  1  "No matching atoms found in structure"  
169  A  LYS  435  HG2     1.586  0.020  2  "No matching atoms found in structure"  
170  A  LYS  435  HG3     1.288  0.020  2  "No matching atoms found in structure"  
171  A  LYS  435  CA     58.305  0.100  1  "No matching atoms found in structure"  
172  A  LYS  435  CB     32.328  0.100  1  "No matching atoms found in structure"  
173  A  LYS  435  CD     29.149  0.100  1  "No matching atoms found in structure"  
174  A  LYS  435  CE     41.856  0.100  1  "No matching atoms found in structure"  
175  A  LYS  435  CG     25.768  0.100  1  "No matching atoms found in structure"  
176  A  LYS  435  N     113.956  0.100  1  "No matching atoms found in structure"  
177  A  ILE  436  H       7.417  0.020  1  "No matching atoms found in structure"  
178  A  ILE  436  HA      3.996  0.020  1  "No matching atoms found in structure"  
179  A  ILE  436  HB      1.998  0.020  1  "No matching atoms found in structure"  
180  A  ILE  436  HD11    0.867  0.020  1  "No matching atoms found in structure"  
181  A  ILE  436  HD12    0.867  0.020  1  "No matching atoms found in structure"  
182  A  ILE  436  HD13    0.867  0.020  1  "No matching atoms found in structure"  
183  A  ILE  436  HG12    1.636  0.020  2  "No matching atoms found in structure"  
184  A  ILE  436  HG13    1.253  0.020  2  "No matching atoms found in structure"  
185  A  ILE  436  HG21    0.929  0.020  1  "No matching atoms found in structure"  
186  A  ILE  436  HG22    0.929  0.020  1  "No matching atoms found in structure"  
187  A  ILE  436  HG23    0.929  0.020  1  "No matching atoms found in structure"  
188  A  ILE  436  CA     62.746  0.100  1  "No matching atoms found in structure"  
189  A  ILE  436  CB     38.648  0.100  1  "No matching atoms found in structure"  
190  A  ILE  436  CD1    12.811  0.100  1  "No matching atoms found in structure"  
191  A  ILE  436  CG1    28.803  0.100  1  "No matching atoms found in structure"  
192  A  ILE  436  CG2    17.474  0.100  1  "No matching atoms found in structure"  
193  A  ILE  436  N     117.362  0.100  1  "No matching atoms found in structure"  
194  A  GLU  437  H       7.787  0.020  1  "No matching atoms found in structure"  
195  A  GLU  437  HA      3.881  0.020  1  "No matching atoms found in structure"  
196  A  GLU  437  HB2     1.997  0.020  2  "No matching atoms found in structure"  
197  A  GLU  437  HB3     1.729  0.020  2  "No matching atoms found in structure"  
198  A  GLU  437  HG2     2.349  0.020  2  "No matching atoms found in structure"  
199  A  GLU  437  HG3     1.965  0.020  2  "No matching atoms found in structure"  
200  A  GLU  437  CA     58.513  0.100  1  "No matching atoms found in structure"  
201  A  GLU  437  CB     31.109  0.100  1  "No matching atoms found in structure"  
202  A  GLU  437  CG     36.444  0.100  1  "No matching atoms found in structure"  
203  A  GLU  437  N     120.444  0.100  1  "No matching atoms found in structure"  
204  A  TYR  438  H       7.383  0.020  1  "No matching atoms found in structure"  
205  A  TYR  438  HA      4.882  0.020  1  "No matching atoms found in structure"  
206  A  TYR  438  HB2     2.409  0.020  2  "No matching atoms found in structure"  
207  A  TYR  438  HB3     2.062  0.020  2  "No matching atoms found in structure"  
208  A  TYR  438  HD1     6.905  0.020  3  "No matching atoms found in structure"  
209  A  TYR  438  HD2     6.905  0.020  3  "No matching atoms found in structure"  
210  A  TYR  438  HE1     6.907  0.020  3  "No matching atoms found in structure"  
211  A  TYR  438  HE2     6.907  0.020  3  "No matching atoms found in structure"  
212  A  TYR  438  CA     56.405  0.100  1  "No matching atoms found in structure"  
213  A  TYR  438  CB     41.759  0.100  1  "No matching atoms found in structure"  
214  A  TYR  438  CD1   133.671  0.100  3  "No matching atoms found in structure"  
215  A  TYR  438  CD2   133.671  0.100  3  "No matching atoms found in structure"  
216  A  TYR  438  CE1   117.854  0.100  3  "No matching atoms found in structure"  
217  A  TYR  438  CE2   117.854  0.100  3  "No matching atoms found in structure"  
218  A  TYR  438  N     112.626  0.100  1  "No matching atoms found in structure"  
219  A  ARG  439  H       8.474  0.020  1  "No matching atoms found in structure"  
220  A  ARG  439  HA      4.497  0.020  1  "No matching atoms found in structure"  
221  A  ARG  439  HB2     1.622  0.020  1  "No matching atoms found in structure"  
222  A  ARG  439  HB3     1.622  0.020  1  "No matching atoms found in structure"  
223  A  ARG  439  HD2     3.248  0.020  2  "No matching atoms found in structure"  
224  A  ARG  439  HD3     3.156  0.020  2  "No matching atoms found in structure"  
225  A  ARG  439  HG2     1.492  0.020  1  "No matching atoms found in structure"  
226  A  ARG  439  HG3     1.492  0.020  1  "No matching atoms found in structure"  
227  A  ARG  439  CA     55.405  0.100  1  "No matching atoms found in structure"  
228  A  ARG  439  CB     32.042  0.100  1  "No matching atoms found in structure"  
229  A  ARG  439  CD     43.742  0.100  1  "No matching atoms found in structure"  
230  A  ARG  439  CG     27.404  0.100  1  "No matching atoms found in structure"  
231  A  ARG  439  N     118.284  0.100  1  "No matching atoms found in structure"  
232  A  HIS  440  H       8.889  0.020  1  "No matching atoms found in structure"  
233  A  HIS  440  HA      4.807  0.020  1  "No matching atoms found in structure"  
234  A  HIS  440  HB2     3.370  0.020  2  "No matching atoms found in structure"  
235  A  HIS  440  HB3     2.889  0.020  2  "No matching atoms found in structure"  
236  A  HIS  440  HD2     7.338  0.020  1  "No matching atoms found in structure"  
237  A  HIS  440  HE1     7.216  0.020  1  "No matching atoms found in structure"  
238  A  HIS  440  CA     57.095  0.100  1  "No matching atoms found in structure"  
239  A  HIS  440  CB     30.316  0.100  1  "No matching atoms found in structure"  
240  A  HIS  440  CD2   127.643  0.100  1  "No matching atoms found in structure"  
241  A  HIS  440  CE1   137.437  0.100  1  "No matching atoms found in structure"  
242  A  HIS  440  N     121.568  0.100  1  "No matching atoms found in structure"  
243  A  ASN  441  H       8.876  0.020  1  "No matching atoms found in structure"  
244  A  ASN  441  HA      4.876  0.020  1  "No matching atoms found in structure"  
245  A  ASN  441  HB2     2.895  0.020  2  "No matching atoms found in structure"  
246  A  ASN  441  HB3     2.881  0.020  2  "No matching atoms found in structure"  
247  A  ASN  441  HD21    7.783  0.020  1  "No matching atoms found in structure"  
248  A  ASN  441  HD22    7.055  0.020  1  "No matching atoms found in structure"  
249  A  ASN  441  CA     53.387  0.100  1  "No matching atoms found in structure"  
250  A  ASN  441  CB     39.039  0.100  1  "No matching atoms found in structure"  
251  A  ASN  441  N     120.377  0.100  1  "No matching atoms found in structure"  
252  A  ASN  441  ND2   113.374  0.100  1  "No matching atoms found in structure"  
253  A  THR  442  H       8.264  0.020  1  "No matching atoms found in structure"  
254  A  THR  442  HA      4.372  0.020  1  "No matching atoms found in structure"  
255  A  THR  442  HB      4.237  0.020  1  "No matching atoms found in structure"  
256  A  THR  442  HG21    1.239  0.020  1  "No matching atoms found in structure"  
257  A  THR  442  HG22    1.239  0.020  1  "No matching atoms found in structure"  
258  A  THR  442  HG23    1.239  0.020  1  "No matching atoms found in structure"  
259  A  THR  442  CA     61.787  0.100  1  "No matching atoms found in structure"  
260  A  THR  442  CB     69.844  0.100  1  "No matching atoms found in structure"  
261  A  THR  442  CG2    21.868  0.100  1  "No matching atoms found in structure"  
262  A  THR  442  N     114.401  0.100  1  "No matching atoms found in structure"  
263  A  LEU  443  H       8.323  0.020  1  "No matching atoms found in structure"  
264  A  LEU  443  HA      4.683  0.020  1  "No matching atoms found in structure"  
265  A  LEU  443  HB2     1.672  0.020  2  "No matching atoms found in structure"  
266  A  LEU  443  HB3     1.615  0.020  2  "No matching atoms found in structure"  
267  A  LEU  443  HD11    0.996  0.020  2  "No matching atoms found in structure"  
268  A  LEU  443  HD12    0.996  0.020  2  "No matching atoms found in structure"  
269  A  LEU  443  HD13    0.996  0.020  2  "No matching atoms found in structure"  
270  A  LEU  443  HD21    0.970  0.020  2  "No matching atoms found in structure"  
271  A  LEU  443  HD22    0.970  0.020  2  "No matching atoms found in structure"  
272  A  LEU  443  HD23    0.970  0.020  2  "No matching atoms found in structure"  
273  A  LEU  443  HG      1.718  0.020  1  "No matching atoms found in structure"  
274  A  LEU  443  CA     53.096  0.100  1  "No matching atoms found in structure"  
275  A  LEU  443  CB     41.921  0.100  1  "No matching atoms found in structure"  
276  A  LEU  443  CD1    25.296  0.100  2  "No matching atoms found in structure"  
277  A  LEU  443  CD2    23.591  0.100  2  "No matching atoms found in structure"  
278  A  LEU  443  CG     26.968  0.100  1  "No matching atoms found in structure"  
279  A  LEU  443  N     125.734  0.100  1  "No matching atoms found in structure"  
280  A  PRO  444  HA      4.500  0.020  1  "No matching atoms found in structure"  
281  A  PRO  444  HB2     2.314  0.020  2  "No matching atoms found in structure"  
282  A  PRO  444  HB3     1.916  0.020  2  "No matching atoms found in structure"  
283  A  PRO  444  HD2     3.905  0.020  2  "No matching atoms found in structure"  
284  A  PRO  444  HD3     3.686  0.020  2  "No matching atoms found in structure"  
285  A  PRO  444  HG2     2.061  0.020  1  "No matching atoms found in structure"  
286  A  PRO  444  HG3     2.061  0.020  1  "No matching atoms found in structure"  
287  A  PRO  444  CA     63.018  0.100  1  "No matching atoms found in structure"  
288  A  PRO  444  CB     32.036  0.100  1  "No matching atoms found in structure"  
289  A  PRO  444  CD     50.676  0.100  1  "No matching atoms found in structure"  
290  A  PRO  444  CG     27.427  0.100  1  "No matching atoms found in structure"  
291  A  VAL  445  H       8.244  0.020  1  "No matching atoms found in structure"  
292  A  VAL  445  HA      4.106  0.020  1  "No matching atoms found in structure"  
293  A  VAL  445  HB      2.079  0.020  1  "No matching atoms found in structure"  
294  A  VAL  445  HG11    0.997  0.020  2  "No matching atoms found in structure"  
295  A  VAL  445  HG12    0.997  0.020  2  "No matching atoms found in structure"  
296  A  VAL  445  HG13    0.997  0.020  2  "No matching atoms found in structure"  
297  A  VAL  445  HG21    0.999  0.020  2  "No matching atoms found in structure"  
298  A  VAL  445  HG22    0.999  0.020  2  "No matching atoms found in structure"  
299  A  VAL  445  HG23    0.999  0.020  2  "No matching atoms found in structure"  
300  A  VAL  445  CA     62.328  0.100  1  "No matching atoms found in structure"  
301  A  VAL  445  CB     32.784  0.100  1  "No matching atoms found in structure"  
302  A  VAL  445  CG1    20.743  0.100  2  "No matching atoms found in structure"  
303  A  VAL  445  CG2    20.759  0.100  2  "No matching atoms found in structure"  
304  A  VAL  445  N     120.697  0.100  1  "No matching atoms found in structure"  
305  A  ARG  446  H       8.419  0.020  1  "No matching atoms found in structure"  
306  A  ARG  446  HA      4.410  0.020  1  "No matching atoms found in structure"  
307  A  ARG  446  HB2     1.857  0.020  2  "No matching atoms found in structure"  
308  A  ARG  446  HB3     1.780  0.020  2  "No matching atoms found in structure"  
309  A  ARG  446  HD2     3.220  0.020  1  "No matching atoms found in structure"  
310  A  ARG  446  HD3     3.220  0.020  1  "No matching atoms found in structure"  
311  A  ARG  446  HG2     1.668  0.020  2  "No matching atoms found in structure"  
312  A  ARG  446  HG3     1.611  0.020  2  "No matching atoms found in structure"  
313  A  ARG  446  CA     55.850  0.100  1  "No matching atoms found in structure"  
314  A  ARG  446  CB     31.161  0.100  1  "No matching atoms found in structure"  
315  A  ARG  446  CD     43.434  0.100  1  "No matching atoms found in structure"  
316  A  ARG  446  CG     27.154  0.100  1  "No matching atoms found in structure"  
317  A  ARG  446  N     124.912  0.100  1  "No matching atoms found in structure"  
318  A  ASN  447  H       8.604  0.020  1  "No matching atoms found in structure"  
319  A  ASN  447  HA      4.777  0.020  1  "No matching atoms found in structure"  
320  A  ASN  447  HB2     2.872  0.020  2  "No matching atoms found in structure"  
321  A  ASN  447  HB3     2.764  0.020  2  "No matching atoms found in structure"  
322  A  ASN  447  HD21    7.646  0.020  1  "No matching atoms found in structure"  
323  A  ASN  447  HD22    6.924  0.020  1  "No matching atoms found in structure"  
324  A  ASN  447  CA     53.140  0.100  1  "No matching atoms found in structure"  
325  A  ASN  447  CB     39.022  0.100  1  "No matching atoms found in structure"  
326  A  ASN  447  N     121.258  0.100  1  "No matching atoms found in structure"  
327  A  ASN  447  ND2   112.844  0.100  1  "No matching atoms found in structure"  
328  A  VAL  448  H       8.187  0.020  1  "No matching atoms found in structure"  
329  A  VAL  448  HA      4.142  0.020  1  "No matching atoms found in structure"  
330  A  VAL  448  HB      2.140  0.020  1  "No matching atoms found in structure"  
331  A  VAL  448  HG11    0.956  0.020  2  "No matching atoms found in structure"  
332  A  VAL  448  HG12    0.956  0.020  2  "No matching atoms found in structure"  
333  A  VAL  448  HG13    0.956  0.020  2  "No matching atoms found in structure"  
334  A  VAL  448  HG21    0.957  0.020  2  "No matching atoms found in structure"  
335  A  VAL  448  HG22    0.957  0.020  2  "No matching atoms found in structure"  
336  A  VAL  448  HG23    0.957  0.020  2  "No matching atoms found in structure"  
337  A  VAL  448  CA     62.595  0.100  1  "No matching atoms found in structure"  
338  A  VAL  448  CB     32.681  0.100  1  "No matching atoms found in structure"  
339  A  VAL  448  CG1    21.278  0.100  2  "No matching atoms found in structure"  
340  A  VAL  448  CG2    20.388  0.100  2  "No matching atoms found in structure"  
341  A  VAL  448  N     120.745  0.100  1  "No matching atoms found in structure"  
342  A  LEU  449  H       8.311  0.020  1  "No matching atoms found in structure"  
343  A  LEU  449  HA      4.416  0.020  1  "No matching atoms found in structure"  
344  A  LEU  449  HB2     1.627  0.020  1  "No matching atoms found in structure"  
345  A  LEU  449  HB3     1.627  0.020  1  "No matching atoms found in structure"  
346  A  LEU  449  HD11    0.900  0.020  1  "No matching atoms found in structure"  
347  A  LEU  449  HD12    0.900  0.020  1  "No matching atoms found in structure"  
348  A  LEU  449  HD13    0.900  0.020  1  "No matching atoms found in structure"  
349  A  LEU  449  HD21    0.900  0.020  1  "No matching atoms found in structure"  
350  A  LEU  449  HD22    0.900  0.020  1  "No matching atoms found in structure"  
351  A  LEU  449  HD23    0.900  0.020  1  "No matching atoms found in structure"  
352  A  LEU  449  HG      1.644  0.020  1  "No matching atoms found in structure"  
353  A  LEU  449  CA     55.141  0.100  1  "No matching atoms found in structure"  
354  A  LEU  449  CB     42.344  0.100  1  "No matching atoms found in structure"  
355  A  LEU  449  CD1    24.933  0.100  2  "No matching atoms found in structure"  
356  A  LEU  449  CD2    23.390  0.100  2  "No matching atoms found in structure"  
357  A  LEU  449  CG     27.115  0.100  1  "No matching atoms found in structure"  
358  A  LEU  449  N     124.673  0.100  1  "No matching atoms found in structure"  
359  A  ASP  450  H       8.239  0.020  1  "No matching atoms found in structure"  
360  A  ASP  450  HA      4.665  0.020  1  "No matching atoms found in structure"  
361  A  ASP  450  HB2     2.781  0.020  2  "No matching atoms found in structure"  
362  A  ASP  450  HB3     2.620  0.020  2  "No matching atoms found in structure"  
363  A  ASP  450  CA     54.364  0.100  1  "No matching atoms found in structure"  
364  A  ASP  450  CB     41.126  0.100  1  "No matching atoms found in structure"  
365  A  ASP  450  N     121.582  0.100  1  "No matching atoms found in structure"  
366  A  GLU  451  H       7.813  0.020  1  "No matching atoms found in structure"  
367  A  GLU  451  HA      4.165  0.020  1  "No matching atoms found in structure"  
368  A  GLU  451  HB2     2.067  0.020  2  "No matching atoms found in structure"  
369  A  GLU  451  HB3     1.921  0.020  2  "No matching atoms found in structure"  
370  A  GLU  451  HG2     2.232  0.020  1  "No matching atoms found in structure"  
371  A  GLU  451  HG3     2.232  0.020  1  "No matching atoms found in structure"  
372  A  GLU  451  CA     57.917  0.100  1  "No matching atoms found in structure"  
373  A  GLU  451  CB     31.405  0.100  1  "No matching atoms found in structure"  
374  A  GLU  451  CG     36.595  0.100  1  "No matching atoms found in structure"  
375  A  GLU  451  N     125.775  0.100  1  "No matching atoms found in structure"  
#
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  PRO  364  0.533  
 2  A  LEU  365  0.511  
 3  A  GLY  366  0.492  
 4  A  SER  367  0.462  
 5  A  GLY  368  0.427  
 6  A  SER  369  0.391  
 7  A  GLU  370  0.362  
 8  A  GLY  371  0.391  
 9  A  ASN  372  0.393  
10  A  LYS  373  0.365  
11  A  VAL  374  0.296  
12  A  LYS  375  0.234  
13  A  ARG  376  0.183  
14  A  THR  377  0.116  
15  A  SER  378  0.061  
16  A  CYS  379  0.030  
17  A  MET  380  0.030  
18  A  TYR  381  0.042  
19  A  GLY  382  0.049  
20  A  ALA  383  0.046  
21  A  ASN  384  0.034  
22  A  CYS  385  0.026  
23  A  TYR  386  0.030  
24  A  ARG  387  0.047  
25  A  LYS  388  0.056  
26  A  ASN  389  0.057  
27  A  PRO  390  0.040  
28  A  VAL  391  0.030  
29  A  HIS  392  0.022  
30  A  PHE  393  0.026  
31  A  GLN  394  0.028  
32  A  HIS  395  0.028  
33  A  PHE  396  0.024  
34  A  SER  397  0.021  
35  A  HIS  398  0.020  
36  A  PRO  399  0.021  
37  A  GLY  400  0.024  
38  A  ASP  401  0.032  
39  A  SER  402  0.043  
40  A  ASP  403  0.065  
41  A  TYR  404  0.087  
42  A  GLY  405  0.122  
43  A  GLY  406  0.164  
44  A  VAL  407  0.200  
45  A  GLN  408  0.213  
46  A  ILE  409  0.225  
47  A  VAL  410  0.268  
48  A  GLY  411  0.246  
49  A  GLN  412  0.206  
50  A  ASP  413  0.133  
51  A  GLU  414  0.143  
52  A  THR  415  0.131  
53  A  ASP  416  0.122  
54  A  ASP  417  0.101  
55  A  ARG  418  0.115  
56  A  PRO  419  0.100  
57  A  GLU  420  0.089  
58  A  CYS  421  0.063  
59  A  PRO  422  0.069  
60  A  TYR  423  0.069  
61  A  GLY  424  0.067  
62  A  PRO  425  0.052  
63  A  SER  426  0.038  
64  A  CYS  427  0.027  
65  A  TYR  428  0.032  
66  A  ARG  429  0.046  
67  A  PRO  432  0.032  
68  A  GLN  433  0.026  
69  A  HIS  434  0.024  
70  A  LYS  435  0.024  
71  A  ILE  436  0.024  
72  A  GLU  437  0.023  
73  A  TYR  438  0.023  
74  A  ARG  439  0.038  
75  A  HIS  440  0.078  
76  A  ASN  441  0.154  
77  A  THR  442  0.190  
78  A  LEU  443  0.197  
79  A  PRO  444  0.189  
80  A  VAL  445  0.253  
81  A  ARG  446  0.317  
82  A  ASN  447  0.368  
83  A  VAL  448  0.424  
84  A  LEU  449  0.483  
85  A  ASP  450  0.533  
86  A  GLU  451  0.533  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00   0.00   0  
2  CA  0.50  0.26  -0.19  86  
3  CB  0.50  0.22   0.25  77  
4  N   0.50  0.43  -0.77  78  
#
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   2    2  stereomethyl  stereomethyl  
 2  344  69  413  overall       Total         
 3  122  31  153  backbone      Total         
 4  166  25  191  sidechain     Total         
 5   56  13   69  aromatic      Total         
 6  202  16  218  overall       H             
 7   62   0   62  backbone      H             
 8  112  10  122  sidechain     H             
 9   28   6   34  aromatic      H             
10  110  41  151  overall       C             
11   31  31   62  backbone      C             
12   51   7   58  sidechain     C             
13   28   3   31  aromatic      C             
14   32  12   44  overall       N             
15   29   0   29  backbone      N             
16    3   8   11  sidechain     N             
17    0   4    4  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    5    5  stereomethyl  stereomethyl  
 2  562  109  671  overall       Total         
 3  218   60  278  backbone      Total         
 4  288   36  324  sidechain     Total         
 5   56   13   69  aromatic      Total         
 6  335   21  356  overall       H             
 7  113    3  116  backbone      H             
 8  194   12  206  sidechain     H             
 9   28    6   34  aromatic      H             
10  170   74  244  overall       C             
11   54   56  110  backbone      C             
12   88   15  103  sidechain     C             
13   28    3   31  aromatic      C             
14   57   14   71  overall       N             
15   51    1   52  backbone      N             
16    6    9   15  sidechain     N             
17    0    4    4  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    721  
 2  "Intra-residue (|i-j|=0)"                      151  
 3  "Sequential (|i-j|=1)"                         269  
 4  "Medium range (|i-j|>1 and |i-j|<5)"           163  
 5  "Long range (|i-j|>=5)"                        133  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               36  
10  "Number of unmapped restraints"                  8  
11  "Number of restraints per residue"             8.5  
12  "Number of long range restraints per residue"  1.6  
#
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                 151   20.9  1  0.1   0.7   3  0.4   2.0  
 2  Intra-residue  BackboneBackbone      3    0.4  1  0.1  33.3   1  0.1  33.3  
 3  Intra-residue  BackboneSidechain   118   16.4  0  0.0   0.0   2  0.3   1.7  
 4  Intra-residue  SidechainSidechain   30    4.2  0  0.0   0.0   0  0.0   0.0  
 5  Sequential     all                 269   37.3  1  0.1   0.4  17  2.4   6.3  
 6  Sequential     BackboneBackbone     98   13.6  0  0.0   0.0   9  1.2   9.2  
 7  Sequential     BackboneSidechain   135   18.7  1  0.1   0.7   6  0.8   4.4  
 8  Sequential     SidechainSidechain   36    5.0  0  0.0   0.0   2  0.3   5.6  
 9  MediumRange    all                 163   22.6  1  0.1   0.6  15  2.1   9.2  
10  MediumRange    BackboneBackbone     61    8.5  1  0.1   1.6   9  1.2  14.8  
11  MediumRange    BackboneSidechain    70    9.7  0  0.0   0.0   3  0.4   4.3  
12  MediumRange    SidechainSidechain   32    4.4  0  0.0   0.0   3  0.4   9.4  
13  LongRange      all                 133   18.4  0  0.0   0.0  18  2.5  13.5  
14  LongRange      BackboneBackbone     27    3.7  0  0.0   0.0  10  1.4  37.0  
15  LongRange      BackboneSidechain    69    9.6  0  0.0   0.0   6  0.8   8.7  
16  LongRange      SidechainSidechain   37    5.1  0  0.0   0.0   2  0.3   5.4  
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                   5    0.7  0  0.0   0.0   0  0.0   0.0  
23  Total          all                 721  100.0  3  0.4   0.4  53  7.4   7.4  
24  Total          BackboneBackbone    189   26.2  2  0.3   1.1  29  4.0  15.3  
25  Total          BackboneSidechain   392   54.4  1  0.1   0.3  17  2.4   4.3  
26  Total          SidechainSidechain  135   18.7  0  0.0   0.0   7  1.0   5.2  
#
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  0.22  0.16  0.16  0.03  
 2   2  0.22  0.15  0.14  0.03  
 3   3  0.24  0.14  0.14  0.04  
 4   4  0.27  0.15  0.13  0.04  
 5   5  0.17  0.14  0.13  0.02  
 6   6  0.27  0.15  0.14  0.04  
 7   7  0.25  0.16  0.15  0.03  
 8   8  0.51  0.17  0.13  0.11  
 9   9  0.22  0.15  0.15  0.03  
10  10  0.18  0.15  0.15  0.02  
11  11  0.30  0.17  0.16  0.05  
12  12  0.26  0.16  0.15  0.04  
13  13  0.53  0.19  0.15  0.12  
14  14  0.56  0.20  0.15  0.13  
15  15  0.50  0.18  0.14  0.10  
16  16  0.20  0.15  0.14  0.03  
17  17  0.56  0.19  0.14  0.14  
18  18  0.24  0.15  0.14  0.04  
19  19  0.55  0.18  0.14  0.13  
20  20  0.33  0.18  0.16  0.05  
21  21  0.29  0.16  0.13  0.05  
22  22  0.52  0.22  0.18  0.12  
23  23  0.23  0.17  0.16  0.04  
24  24  0.22  0.15  0.15  0.03  
25  25  0.21  0.15  0.14  0.03  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue   2  
  2   1  sequential     3  
  3   1  medium         4  
  4   1  long           5  
  5   1  interchain     0  
  6   1  total         14  
  7   2  intraresidue   2  
  8   2  sequential     2  
  9   2  medium         5  
 10   2  long           4  
 11   2  interchain     0  
 12   2  total         13  
 13   3  intraresidue   3  
 14   3  sequential     4  
 15   3  medium         4  
 16   3  long           6  
 17   3  interchain     0  
 18   3  total         17  
 19   4  intraresidue   1  
 20   4  sequential     2  
 21   4  medium         5  
 22   4  long           3  
 23   4  interchain     0  
 24   4  total         11  
 25   5  intraresidue   1  
 26   5  sequential     3  
 27   5  medium         5  
 28   5  long           2  
 29   5  interchain     0  
 30   5  total         11  
 31   6  intraresidue   2  
 32   6  sequential     3  
 33   6  medium         2  
 34   6  long           3  
 35   6  interchain     0  
 36   6  total         10  
 37   7  intraresidue   1  
 38   7  sequential     3  
 39   7  medium         5  
 40   7  long           3  
 41   7  interchain     0  
 42   7  total         12  
 43   8  intraresidue   1  
 44   8  sequential     3  
 45   8  medium         3  
 46   8  long           4  
 47   8  interchain     0  
 48   8  total         11  
 49   9  intraresidue   1  
 50   9  sequential     9  
 51   9  medium         2  
 52   9  long           4  
 53   9  interchain     0  
 54   9  total         16  
 55  10  intraresidue   2  
 56  10  sequential     4  
 57  10  medium         2  
 58  10  long           6  
 59  10  interchain     0  
 60  10  total         14  
 61  11  intraresidue   1  
 62  11  sequential     1  
 63  11  medium         6  
 64  11  long           4  
 65  11  interchain     0  
 66  11  total         12  
 67  12  intraresidue   2  
 68  12  sequential     6  
 69  12  medium         5  
 70  12  long           2  
 71  12  interchain     0  
 72  12  total         15  
 73  13  intraresidue   1  
 74  13  sequential     3  
 75  13  medium         3  
 76  13  long           3  
 77  13  interchain     0  
 78  13  total         10  
 79  14  intraresidue   1  
 80  14  sequential     5  
 81  14  medium         3  
 82  14  long           1  
 83  14  interchain     0  
 84  14  total         10  
 85  15  intraresidue   1  
 86  15  sequential     5  
 87  15  medium         4  
 88  15  long           3  
 89  15  interchain     0  
 90  15  total         13  
 91  16  intraresidue   1  
 92  16  sequential     1  
 93  16  medium         5  
 94  16  long           4  
 95  16  interchain     0  
 96  16  total         11  
 97  17  intraresidue   1  
 98  17  sequential     2  
 99  17  medium         1  
100  17  long           4  
101  17  interchain     0  
102  17  total          8  
103  18  intraresidue   1  
104  18  sequential     1  
105  18  medium         5  
106  18  long           7  
107  18  interchain     0  
108  18  total         14  
109  19  intraresidue   1  
110  19  sequential     3  
111  19  medium         4  
112  19  long           2  
113  19  interchain     0  
114  19  total         10  
115  20  intraresidue   2  
116  20  sequential     4  
117  20  medium         3  
118  20  long           4  
119  20  interchain     0  
120  20  total         13  
121  21  intraresidue   1  
122  21  sequential     2  
123  21  medium         5  
124  21  long           5  
125  21  interchain     0  
126  21  total         13  
127  22  intraresidue   1  
128  22  sequential     2  
129  22  medium         2  
130  22  long           3  
131  22  interchain     0  
132  22  total          8  
133  23  intraresidue   1  
134  23  sequential     2  
135  23  medium         3  
136  23  long           3  
137  23  interchain     0  
138  23  total          9  
139  24  intraresidue   1  
140  24  sequential     2  
141  24  medium         6  
142  24  long           6  
143  24  interchain     0  
144  24  total         15  
145  25  intraresidue   1  
146  25  sequential     3  
147  25  medium         6  
148  25  long           4  
149  25  interchain     0  
150  25  total         14  
#
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    4.0  
 2   2    8.0  
 3   3   12.0  
 4   4   16.0  
 5   5   20.0  
 6   6   24.0  
 7   7   28.0  
 8   8   32.0  
 9   9   36.0  
10  10   40.0  
11  11   44.0  
12  12   48.0  
13  13   52.0  
14  14   56.0  
15  15   60.0  
16  16   64.0  
17  17   68.0  
18  18   72.0  
19  19   76.0  
20  20   80.0  
21  21   84.0  
22  22   88.0  
23  23   92.0  
24  24   96.0  
25  25  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     4  
  3   1  medium         4  
  4   1  long           7  
  5   1  interchain     0  
  6   1  total         15  
  7   2  intraresidue   1  
  8   2  sequential     4  
  9   2  medium         2  
 10   2  long           0  
 11   2  interchain     0  
 12   2  total          7  
 13   3  intraresidue   0  
 14   3  sequential     1  
 15   3  medium         0  
 16   3  long           2  
 17   3  interchain     0  
 18   3  total          3  
 19   4  intraresidue   0  
 20   4  sequential     3  
 21   4  medium         1  
 22   4  long           1  
 23   4  interchain     0  
 24   4  total          5  
 25   5  intraresidue   0  
 26   5  sequential     1  
 27   5  medium         0  
 28   5  long           2  
 29   5  interchain     0  
 30   5  total          3  
 31   6  intraresidue   1  
 32   6  sequential     1  
 33   6  medium         3  
 34   6  long           2  
 35   6  interchain     0  
 36   6  total          7  
 37   7  intraresidue   0  
 38   7  sequential     1  
 39   7  medium         0  
 40   7  long           1  
 41   7  interchain     0  
 42   7  total          2  
 43   8  intraresidue   0  
 44   8  sequential     1  
 45   8  medium         1  
 46   8  long           0  
 47   8  interchain     0  
 48   8  total          2  
 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         2  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total          2  
 61  11  intraresidue   0  
 62  11  sequential     0  
 63  11  medium         0  
 64  11  long           1  
 65  11  interchain     0  
 66  11  total          1  
 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         1  
 88  15  long           0  
 89  15  interchain     0  
 90  15  total          1  
 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           2  
113  19  interchain     0  
114  19  total          2  
115  20  intraresidue   0  
116  20  sequential     0  
117  20  medium         0  
118  20  long           0  
119  20  interchain     0  
120  20  total          0  
121  21  intraresidue   0  
122  21  sequential     0  
123  21  medium         0  
124  21  long           0  
125  21  interchain     0  
126  21  total          0  
127  22  intraresidue   0  
128  22  sequential     0  
129  22  medium         0  
130  22  long           0  
131  22  interchain     0  
132  22  total          0  
133  23  intraresidue   0  
134  23  sequential     0  
135  23  medium         0  
136  23  long           0  
137  23  interchain     0  
138  23  total          0  
139  24  intraresidue   0  
140  24  sequential     0  
141  24  medium         0  
142  24  long           0  
143  24  interchain     0  
144  24  total          0  
145  25  intraresidue   1  
146  25  sequential     1  
147  25  medium         1  
148  25  long           0  
149  25  interchain     0  
150  25  total          3  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2  10.6  
2  0.2-0.5  0.5   1.3  
3  >0.5     0.6   0.2  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
 1  530  1  .  A  401  ASP  ?     1  A  39  H     A  .  403  ASP  41  A  1  ?     H     25  0.19  0.20  0.05  
 2   96  1  .  A  376  ARG  ?     1  A  14  HA    A  .  377  THR  15  A  1  ?     HB    25  0.17  0.16  0.03  
 3   86  1  .  A  376  ARG  ?     1  A  14  H     A  .  376  ARG  14  A  1  ?     HA    25  0.17  0.17  0.02  
 4   85  1  .  A  375  LYS  ?     1  A  13  HA    A  .  403  ASP  41  A  1  ?     H     19  0.16  0.14  0.05  
 5  182  1  .  A  379  CYS  ?     1  A  17  H     A  .  397  SER  35  A  1  ?     HA    19  0.15  0.15  0.03  
 6  365  1  .  A  391  VAL  ?     1  A  29  H     A  .  394  GLN  32  A  1  ?     H     15  0.14  0.13  0.02  
 7  503  1  .  A  398  HIS  ?     1  A  36  HA    A  .  405  GLY  43  A  1  ?     H     11  0.15  0.15  0.02  
 8  371  1  .  A  391  VAL  ?     1  A  29  HB    A  .  394  GLN  32  A  1  ?     HE22  10  0.14  0.14  0.02  
 9  400  1  .  A  392  HIS  ?     1  A  30  HB2   A  .  394  GLN  32  A  1  ?     HE22  10  0.12  0.13  0.01  
10  400  1  .  A  392  HIS  ?     1  A  30  HB3   A  .  394  GLN  32  A  1  ?     HE22  10  0.12  0.13  0.01  
11  574  1  .  A  406  GLY  ?     1  A  44  HA2   A  .  407  VAL  45  A  1  ?     HA     8  0.21  0.21  0.03  
12  574  1  .  A  406  GLY  ?     1  A  44  HA3   A  .  407  VAL  45  A  1  ?     HA     8  0.21  0.21  0.03  
13  396  1  .  A  392  HIS  ?     1  A  30  H     A  .  394  GLN  32  A  1  ?     H      8  0.12  0.12  0.01  
14  570  1  .  A  406  GLY  ?     1  A  44  H     A  .  407  VAL  45  A  1  ?     H      7  0.53  0.53  0.02  
15  101  1  .  A  376  ARG  ?     1  A  14  HD2   A  .  395  HIS  33  A  1  ?     HB2    7  0.15  0.13  0.03  
16  101  1  .  A  376  ARG  ?     1  A  14  HD2   A  .  395  HIS  33  A  1  ?     HB3    7  0.15  0.13  0.03  
17  101  1  .  A  376  ARG  ?     1  A  14  HD3   A  .  395  HIS  33  A  1  ?     HB2    7  0.15  0.13  0.03  
18  101  1  .  A  376  ARG  ?     1  A  14  HD3   A  .  395  HIS  33  A  1  ?     HB3    7  0.15  0.13  0.03  
19  168  1  .  A  379  CYS  ?     1  A  17  H     A  .  382  GLY  20  A  1  ?     H      6  0.16  0.16  0.02  
20  562  1  .  A  404  TYR  ?     1  A  42  HA    A  .  406  GLY  44  A  1  ?     H      6  0.15  0.15  0.03  
21  482  1  .  A  397  SER  ?     1  A  35  HB2   A  .  406  GLY  44  A  1  ?     H      6  0.14  0.14  0.02  
22  482  1  .  A  397  SER  ?     1  A  35  HB3   A  .  406  GLY  44  A  1  ?     H      6  0.14  0.14  0.02  
23  135  1  .  A  378  SER  ?     1  A  16  H     A  .  396  PHE  34  A  1  ?     HA     6  0.13  0.14  0.02  
24  448  1  .  A  394  GLN  ?     1  A  32  H     A  .  398  HIS  36  A  1  ?     HE1    6  0.13  0.14  0.02  
25  119  1  .  A  377  THR  ?     1  A  15  H     A  .  378  SER  16  A  1  ?     HA     6  0.13  0.12  0.02  
26  580  1  .  A  407  VAL  ?     1  A  45  H     A  .  407  VAL  45  A  1  ?     HB     6  0.12  0.11  0.01  
27  655  1  .  A  411  GLY  ?     1  A  49  HA2   A  .  412  GLN  50  A  1  ?     HA     5  0.19  0.20  0.04  
28  655  1  .  A  411  GLY  ?     1  A  49  HA3   A  .  412  GLN  50  A  1  ?     HA     5  0.19  0.20  0.04  
29  181  1  .  A  379  CYS  ?     1  A  17  H     A  .  397  SER  35  A  1  ?     H      5  0.14  0.13  0.02  
30  111  1  .  A  376  ARG  ?     1  A  14  HG2   A  .  397  SER  35  A  1  ?     H      5  0.12  0.12  0.01  
31  111  1  .  A  376  ARG  ?     1  A  14  HG3   A  .  397  SER  35  A  1  ?     H      5  0.12  0.12  0.01  
32  568  1  .  A  405  GLY  ?     1  A  43  HA2   A  .  406  GLY  44  A  1  ?     HA2    4  0.15  0.15  0.04  
33  568  1  .  A  405  GLY  ?     1  A  43  HA2   A  .  406  GLY  44  A  1  ?     HA3    4  0.15  0.15  0.04  
34  568  1  .  A  405  GLY  ?     1  A  43  HA3   A  .  406  GLY  44  A  1  ?     HA2    4  0.15  0.15  0.04  
35  568  1  .  A  405  GLY  ?     1  A  43  HA3   A  .  406  GLY  44  A  1  ?     HA3    4  0.15  0.15  0.04  
36  575  1  .  A  406  GLY  ?     1  A  44  HA2   A  .  407  VAL  45  A  1  ?     HB     4  0.15  0.14  0.03  
37  575  1  .  A  406  GLY  ?     1  A  44  HA3   A  .  407  VAL  45  A  1  ?     HB     4  0.15  0.14  0.03  
38  590  1  .  A  407  VAL  ?     1  A  45  HG11  A  .  408  GLN  46  A  1  ?     HE22   4  0.15  0.15  0.03  
39  590  1  .  A  407  VAL  ?     1  A  45  HG12  A  .  408  GLN  46  A  1  ?     HE22   4  0.15  0.15  0.03  
40  590  1  .  A  407  VAL  ?     1  A  45  HG13  A  .  408  GLN  46  A  1  ?     HE22   4  0.15  0.15  0.03  
41  590  1  .  A  407  VAL  ?     1  A  45  HG21  A  .  408  GLN  46  A  1  ?     HE22   4  0.15  0.15  0.03  
42  590  1  .  A  407  VAL  ?     1  A  45  HG22  A  .  408  GLN  46  A  1  ?     HE22   4  0.15  0.15  0.03  
43  590  1  .  A  407  VAL  ?     1  A  45  HG23  A  .  408  GLN  46  A  1  ?     HE22   4  0.15  0.15  0.03  
44  139  1  .  A  378  SER  ?     1  A  16  HA    A  .  398  HIS  36  A  1  ?     H      4  0.14  0.14  0.01  
45  493  1  .  A  398  HIS  ?     1  A  36  H     A  .  401  ASP  39  A  1  ?     H      4  0.13  0.12  0.02  
46  359  1  .  A  391  VAL  ?     1  A  29  HB    A  .  392  HIS  30  A  1  ?     H      3  0.16  0.16  0.01  
47  137  1  .  A  378  SER  ?     1  A  16  HA    A  .  397  SER  35  A  1  ?     H      3  0.12  0.12  0.00  
48  518  1  .  A  399  PRO  ?     1  A  37  HB2   A  .  407  VAL  45  A  1  ?     HG11   3  0.12  0.11  0.01  
49  518  1  .  A  399  PRO  ?     1  A  37  HB2   A  .  407  VAL  45  A  1  ?     HG12   3  0.12  0.11  0.01  
50  518  1  .  A  399  PRO  ?     1  A  37  HB2   A  .  407  VAL  45  A  1  ?     HG13   3  0.12  0.11  0.01  
51  518  1  .  A  399  PRO  ?     1  A  37  HB2   A  .  407  VAL  45  A  1  ?     HG21   3  0.12  0.11  0.01  
52  518  1  .  A  399  PRO  ?     1  A  37  HB2   A  .  407  VAL  45  A  1  ?     HG22   3  0.12  0.11  0.01  
53  518  1  .  A  399  PRO  ?     1  A  37  HB2   A  .  407  VAL  45  A  1  ?     HG23   3  0.12  0.11  0.01  
54  518  1  .  A  399  PRO  ?     1  A  37  HB3   A  .  407  VAL  45  A  1  ?     HG11   3  0.12  0.11  0.01  
55  518  1  .  A  399  PRO  ?     1  A  37  HB3   A  .  407  VAL  45  A  1  ?     HG12   3  0.12  0.11  0.01  
56  518  1  .  A  399  PRO  ?     1  A  37  HB3   A  .  407  VAL  45  A  1  ?     HG13   3  0.12  0.11  0.01  
57  518  1  .  A  399  PRO  ?     1  A  37  HB3   A  .  407  VAL  45  A  1  ?     HG21   3  0.12  0.11  0.01  
58  518  1  .  A  399  PRO  ?     1  A  37  HB3   A  .  407  VAL  45  A  1  ?     HG22   3  0.12  0.11  0.01  
59  518  1  .  A  399  PRO  ?     1  A  37  HB3   A  .  407  VAL  45  A  1  ?     HG23   3  0.12  0.11  0.01  
60  623  1  .  A  409  ILE  ?     1  A  47  HA    A  .  412  GLN  50  A  1  ?     HA     2  0.18  0.18  0.05  
61  549  1  .  A  403  ASP  ?     1  A  41  H     A  .  404  TYR  42  A  1  ?     HA     2  0.17  0.17  0.01  
62  578  1  .  A  406  GLY  ?     1  A  44  HA2   A  .  408  GLN  46  A  1  ?     H      2  0.16  0.16  0.03  
63  578  1  .  A  406  GLY  ?     1  A  44  HA3   A  .  408  GLN  46  A  1  ?     H      2  0.16  0.16  0.03  
64  671  1  .  A  412  GLN  ?     1  A  50  HG2   A  .  413  ASP  51  A  1  ?     H      2  0.12  0.12  0.01  
65  671  1  .  A  412  GLN  ?     1  A  50  HG3   A  .  413  ASP  51  A  1  ?     H      2  0.12  0.12  0.01  
66  573  1  .  A  406  GLY  ?     1  A  44  HA2   A  .  407  VAL  45  A  1  ?     H      2  0.12  0.12  0.01  
67  573  1  .  A  406  GLY  ?     1  A  44  HA3   A  .  407  VAL  45  A  1  ?     H      2  0.12  0.12  0.01  
68  556  1  .  A  404  TYR  ?     1  A  42  H     A  .  405  GLY  43  A  1  ?     H      2  0.11  0.11  0.00  
69  604  1  .  A  409  ILE  ?     1  A  47  H     A  .  409  ILE  47  A  1  ?     HB     2  0.11  0.11  0.00  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1  570  1   772   773  H     H     0.56  
  2  570  1   940   941  H     H     0.56  
  3  570  1  1052  1053  H     H     0.55  
  4  570  1   716   717  H     H     0.53  
  5  570  1  1220  1221  H     H     0.52  
  6  570  1   436   437  H     H     0.51  
  7  570  1   828   829  H     H     0.50  
  8   85  1  1077  1105  HA    H     0.33  
  9  530  1   599   601  H     H     0.30  
 10  530  1  1159  1161  H     H     0.29  
 11  574  1   324   325  HA2   HA    0.27  
 12  574  1   324   325  HA3   HA    0.27  
 13  530  1   207   209  H     H     0.27  
 14   85  1  1189  1217  HA    H     0.26  
 15  530  1   655   657  H     H     0.26  
 16   96  1   350   351  HA    HB    0.25  
 17   96  1   574   575  HA    HB    0.24  
 18  667  1   778   779  H     H     0.24  
 19  574  1   660   661  HA2   HA    0.24  
 20  574  1   660   661  HA3   HA    0.24  
 21  530  1   151   153  H     H     0.24  
 22  530  1   991   993  H     H     0.24  
 23   86  1  1246  1246  H     HA    0.23  
 24  623  1   831   834  HA    HA    0.23  
 25   96  1   462   463  HA    HB    0.22  
 26   96  1   966   967  HA    HB    0.22  
 27  574  1    44    45  HA2   HA    0.22  
 28  574  1    44    45  HA3   HA    0.22  
 29  530  1  1271  1273  H     H     0.22  
 30  530  1  1327  1329  H     H     0.22  
 31  101  1    70    89  HD2   HB2   0.22  
 32  101  1    70    89  HD2   HB3   0.22  
 33  101  1    70    89  HD3   HB2   0.22  
 34  101  1    70    89  HD3   HB3   0.22  
 35   96  1  1134  1135  HA    HB    0.21  
 36   86  1  1078  1078  H     HA    0.21  
 37   86  1  1134  1134  H     HA    0.21  
 38  655  1    49    50  HA2   HA    0.21  
 39  655  1    49    50  HA3   HA    0.21  
 40  655  1   665   666  HA2   HA    0.21  
 41  655  1   665   666  HA3   HA    0.21  
 42  575  1  1108  1109  HA2   HB    0.21  
 43  575  1  1108  1109  HA3   HB    0.21  
 44  574  1   156   157  HA2   HA    0.21  
 45  574  1   156   157  HA3   HA    0.21  
 46  568  1  1107  1108  HA2   HA2   0.21  
 47  568  1  1107  1108  HA2   HA3   0.21  
 48  568  1  1107  1108  HA3   HA2   0.21  
 49  568  1  1107  1108  HA3   HA3   0.21  
 50  530  1  1383  1385  H     H     0.21  
 51  182  1  1305  1323  H     HA    0.21  
 52   96  1   742   743  HA    HB    0.20  
 53   86  1   574   574  H     HA    0.20  
 54  655  1   497   498  HA2   HA    0.20  
 55  655  1   497   498  HA3   HA    0.20  
 56  655  1   777   778  HA2   HA    0.20  
 57  655  1   777   778  HA3   HA    0.20  
 58  590  1   493   494  HG11  HE22  0.20  
 59  590  1   493   494  HG12  HE22  0.20  
 60  590  1   493   494  HG13  HE22  0.20  
 61  590  1   493   494  HG21  HE22  0.20  
 62  590  1   493   494  HG22  HE22  0.20  
 63  590  1   493   494  HG23  HE22  0.20  
 64  574  1  1332  1333  HA2   HA    0.20  
 65  574  1  1332  1333  HA3   HA    0.20  
 66  530  1   375   377  H     H     0.20  
 67  530  1  1047  1049  H     H     0.20  
 68  530  1  1103  1105  H     H     0.20  
 69  530  1  1215  1217  H     H     0.20  
 70  503  1   876   883  HA    H     0.20  
 71  503  1  1156  1163  HA    H     0.20  
 72  182  1  1025  1043  H     HA    0.20  
 73  182  1  1361  1379  H     HA    0.20  
 74  168  1   185   188  H     H     0.20  
 75   96  1  1246  1247  HA    HB    0.19  
 76   86  1   686   686  H     HA    0.19  
 77   86  1  1190  1190  H     HA    0.19  
 78  657  1   833   834  HA2   HE22  0.19  
 79  657  1   833   834  HA3   HE22  0.19  
 80  578  1   660   662  HA2   H     0.19  
 81  578  1   660   662  HA3   H     0.19  
 82  549  1  1161  1162  H     HA    0.19  
 83   96  1    70    71  HA    HB    0.18  
 84   96  1   294   295  HA    HB    0.18  
 85   86  1   182   182  H     HA    0.18  
 86   85  1   461   489  HA    H     0.18  
 87  574  1   100   101  HA2   HA    0.18  
 88  574  1   100   101  HA3   HA    0.18  
 89  574  1   548   549  HA2   HA    0.18  
 90  574  1   548   549  HA3   HA    0.18  
 91  574  1  1276  1277  HA2   HA    0.18  
 92  574  1  1276  1277  HA3   HA    0.18  
 93  562  1   882   884  HA    H     0.18  
 94  371  1    29    32  HB    HE22  0.18  
 95  371  1  1093  1096  HB    HE22  0.18  
 96   96  1   238   239  HA    HB    0.17  
 97   96  1   854   855  HA    HB    0.17  
 98   96  1  1302  1303  HA    HB    0.17  
 99   86  1   126   126  H     HA    0.17  
100   86  1   238   238  H     HA    0.17  
101   86  1   630   630  H     HA    0.17  
102   86  1   966   966  H     HA    0.17  
103   86  1  1022  1022  H     HA    0.17  
104   86  1  1358  1358  H     HA    0.17  
105   85  1  1133  1161  HA    H     0.17  
106  562  1   994   996  HA    H     0.17  
107  562  1  1386  1388  HA    H     0.17  
108  530  1   543   545  H     H     0.17  
109  530  1   879   881  H     H     0.17  
110  482  1   875   884  HB2   H     0.17  
111  482  1   875   884  HB3   H     0.17  
112  359  1   813   814  HB    H     0.17  
113  182  1    17    35  H     HA    0.17  
114  182  1   129   147  H     HA    0.17  
115  181  1   521   539  H     H     0.17  
116  168  1   353   356  H     H     0.17  
117   96  1   518   519  HA    HB    0.16  
118   96  1  1078  1079  HA    HB    0.16  
119   96  1  1190  1191  HA    HB    0.16  
120   96  1  1358  1359  HA    HB    0.16  
121   86  1    14    14  H     HA    0.16  
122   86  1   350   350  H     HA    0.16  
123   86  1   462   462  H     HA    0.16  
124   86  1   518   518  H     HA    0.16  
125   86  1   798   798  H     HA    0.16  
126   86  1   910   910  H     HA    0.16  
127   86  1  1302  1302  H     HA    0.16  
128  568  1   491   492  HA2   HA2   0.16  
129  568  1   491   492  HA2   HA3   0.16  
130  568  1   491   492  HA3   HA2   0.16  
131  568  1   491   492  HA3   HA3   0.16  
132  549  1   209   210  H     HA    0.16  
133  530  1    39    41  H     H     0.16  
134  530  1   263   265  H     H     0.16  
135  530  1   823   825  H     H     0.16  
136  503  1    92    99  HA    H     0.16  
137  503  1   596   603  HA    H     0.16  
138  493  1  1324  1327  H     H     0.16  
139  365  1   589   592  H     H     0.16  
140  365  1   701   704  H     H     0.16  
141  359  1   757   758  HB    H     0.16  
142  182  1   241   259  H     HA    0.16  
143  182  1   465   483  H     HA    0.16  
144  182  1   633   651  H     HA    0.16  
145  168  1   577   580  H     H     0.16  
146  168  1  1249  1252  H     H     0.16  
147  135  1   688   706  H     HA    0.16  
148  101  1    14    33  HD2   HB2   0.16  
149  101  1    14    33  HD2   HB3   0.16  
150  101  1    14    33  HD3   HB2   0.16  
151  101  1    14    33  HD3   HB3   0.16  
152  101  1   350   369  HD2   HB2   0.16  
153  101  1   350   369  HD2   HB3   0.16  
154  101  1   350   369  HD3   HB2   0.16  
155  101  1   350   369  HD3   HB3   0.16  
156   96  1   126   127  HA    HB    0.15  
157   96  1   630   631  HA    HB    0.15  
158   96  1  1022  1023  HA    HB    0.15  
159   86  1   406   406  H     HA    0.15  
160   85  1   573   601  HA    H     0.15  
161   85  1   909   937  HA    H     0.15  
162   85  1  1245  1273  HA    H     0.15  
163   85  1  1301  1329  HA    H     0.15  
164   85  1  1357  1385  HA    H     0.15  
165  590  1   661   662  HG11  HE22  0.15  
166  590  1   661   662  HG12  HE22  0.15  
167  590  1   661   662  HG13  HE22  0.15  
168  590  1   661   662  HG21  HE22  0.15  
169  590  1   661   662  HG22  HE22  0.15  
170  590  1   661   662  HG23  HE22  0.15  
171  580  1   325   325  H     HB    0.15  
172  575  1   380   381  HA2   HB    0.15  
173  575  1   380   381  HA3   HB    0.15  
174  530  1    95    97  H     H     0.15  
175  530  1   319   321  H     H     0.15  
176  530  1   711   713  H     H     0.15  
177  503  1   148   155  HA    H     0.15  
178  503  1   988   995  HA    H     0.15  
179  482  1   371   380  HB2   H     0.15  
180  482  1   371   380  HB3   H     0.15  
181  482  1   595   604  HB2   H     0.15  
182  482  1   595   604  HB3   H     0.15  
183  448  1   424   428  H     HE1   0.15  
184  371  1   141   144  HB    HE22  0.15  
185  371  1  1373  1376  HB    HE22  0.15  
186  365  1    29    32  H     H     0.15  
187  365  1   141   144  H     H     0.15  
188  365  1   253   256  H     H     0.15  
189  359  1   477   478  HB    H     0.15  
190  182  1    73    91  H     HA    0.15  
191  182  1   689   707  H     HA    0.15  
192  182  1   969   987  H     HA    0.15  
193  181  1  1305  1323  H     H     0.15  
194  139  1   408   428  HA    H     0.15  
195  139  1  1080  1100  HA    H     0.15  
196  119  1   519   520  H     HA    0.15  
197  119  1   631   632  H     HA    0.15  
198  108  1   518   539  HA    H     0.15  
199   96  1   798   799  HA    HB    0.14  
200   96  1   910   911  HA    HB    0.14  
201   86  1   294   294  H     HA    0.14  
202   86  1   742   742  H     HA    0.14  
203   85  1   125   153  HA    H     0.14  
204   85  1   405   433  HA    H     0.14  
205   85  1   965   993  HA    H     0.14  
206   66  1   516   518  H     HG2   0.14  
207   66  1   516   518  H     HG3   0.14  
208  590  1   381   382  HG11  HE22  0.14  
209  590  1   381   382  HG12  HE22  0.14  
210  590  1   381   382  HG13  HE22  0.14  
211  590  1   381   382  HG21  HE22  0.14  
212  590  1   381   382  HG22  HE22  0.14  
213  590  1   381   382  HG23  HE22  0.14  
214  568  1   323   324  HA2   HA2   0.14  
215  568  1   323   324  HA2   HA3   0.14  
216  568  1   323   324  HA3   HA2   0.14  
217  568  1   323   324  HA3   HA3   0.14  
218  530  1   935   937  H     H     0.14  
219  518  1  1101  1109  HB2   HG11  0.14  
220  518  1  1101  1109  HB2   HG12  0.14  
221  518  1  1101  1109  HB2   HG13  0.14  
222  518  1  1101  1109  HB2   HG21  0.14  
223  518  1  1101  1109  HB2   HG22  0.14  
224  518  1  1101  1109  HB2   HG23  0.14  
225  518  1  1101  1109  HB3   HG11  0.14  
226  518  1  1101  1109  HB3   HG12  0.14  
227  518  1  1101  1109  HB3   HG13  0.14  
228  518  1  1101  1109  HB3   HG21  0.14  
229  518  1  1101  1109  HB3   HG22  0.14  
230  518  1  1101  1109  HB3   HG23  0.14  
231  503  1    36    43  HA    H     0.14  
232  503  1   204   211  HA    H     0.14  
233  503  1  1324  1331  HA    H     0.14  
234  448  1    32    36  H     HE1   0.14  
235  448  1   872   876  H     HE1   0.14  
236  400  1   478   480  HB2   HE22  0.14  
237  400  1   478   480  HB3   HE22  0.14  
238  400  1   758   760  HB2   HE22  0.14  
239  400  1   758   760  HB3   HE22  0.14  
240  371  1  1317  1320  HB    HE22  0.14  
241  365  1    85    88  H     H     0.14  
242  365  1   365   368  H     H     0.14  
243  182  1   801   819  H     HA    0.14  
244  182  1  1193  1211  H     HA    0.14  
245  168  1  1081  1084  H     H     0.14  
246  135  1  1080  1098  H     HA    0.14  
247  135  1  1192  1210  H     HA    0.14  
248  111  1  1302  1323  HG2   H     0.14  
249  111  1  1302  1323  HG3   H     0.14  
250   96  1    14    15  HA    HB    0.13  
251   96  1   406   407  HA    HB    0.13  
252   96  1   686   687  HA    HB    0.13  
253   86  1   854   854  H     HA    0.13  
254   85  1   517   545  HA    H     0.13  
255   85  1   629   657  HA    H     0.13  
256   85  1   685   713  HA    H     0.13  
257   85  1   797   825  HA    H     0.13  
258  671  1   666   667  HG2   H     0.13  
259  671  1   666   667  HG3   H     0.13  
260  623  1   271   274  HA    HA    0.13  
261  580  1   549   549  H     HB    0.13  
262  578  1   324   326  HA2   H     0.13  
263  578  1   324   326  HA3   H     0.13  
264  575  1  1388  1389  HA2   HB    0.13  
265  575  1  1388  1389  HA3   HB    0.13  
266  573  1  1108  1109  HA2   H     0.13  
267  573  1  1108  1109  HA3   H     0.13  
268  562  1   378   380  HA    H     0.13  
269  530  1   431   433  H     H     0.13  
270  530  1   487   489  H     H     0.13  
271  503  1   540   547  HA    H     0.13  
272  503  1  1380  1387  HA    H     0.13  
273  493  1   764   767  H     H     0.13  
274  448  1    88    92  H     HE1   0.13  
275  400  1   254   256  HB2   HE22  0.13  
276  400  1   254   256  HB3   HE22  0.13  
277  400  1   422   424  HB2   HE22  0.13  
278  400  1   422   424  HB3   HE22  0.13  
279  400  1   702   704  HB2   HE22  0.13  
280  400  1   702   704  HB3   HE22  0.13  
281  400  1   814   816  HB2   HE22  0.13  
282  400  1   814   816  HB3   HE22  0.13  
283  396  1   198   200  H     H     0.13  
284  396  1   590   592  H     H     0.13  
285  396  1   646   648  H     H     0.13  
286  371  1    85    88  HB    HE22  0.13  
287  371  1   645   648  HB    HE22  0.13  
288  371  1  1037  1040  HB    HE22  0.13  
289  371  1  1149  1152  HB    HE22  0.13  
290  365  1   197   200  H     H     0.13  
291  365  1   645   648  H     H     0.13  
292  365  1  1149  1152  H     H     0.13  
293  365  1  1261  1264  H     H     0.13  
294  315  1   696   697  HE1   HG2   0.13  
295  315  1   696   697  HE1   HG3   0.13  
296  315  1   696   697  HE2   HG2   0.13  
297  315  1   696   697  HE2   HG3   0.13  
298  182  1   297   315  H     HA    0.13  
299  182  1   745   763  H     HA    0.13  
300  182  1   913   931  H     HA    0.13  
301  181  1   969   987  H     H     0.13  
302  137  1   352   371  HA    H     0.13  
303  135  1  1248  1266  H     HA    0.13  
304  119  1   127   128  H     HA    0.13  
305  101  1   406   425  HD2   HB2   0.13  
306  101  1   406   425  HD2   HB3   0.13  
307  101  1   406   425  HD3   HB2   0.13  
308  101  1   406   425  HD3   HB3   0.13  
309  101  1   518   537  HD2   HB2   0.13  
310  101  1   518   537  HD2   HB3   0.13  
311  101  1   518   537  HD3   HB2   0.13  
312  101  1   518   537  HD3   HB3   0.13  
313   96  1   182   183  HA    HB    0.12  
314   86  1    70    70  H     HA    0.12  
315   85  1    13    41  HA    H     0.12  
316   85  1   237   265  HA    H     0.12  
317   68  1   236   238  HB    HG2   0.12  
318   68  1   236   238  HB    HG3   0.12  
319  671  1   498   499  HG2   H     0.12  
320  671  1   498   499  HG3   H     0.12  
321  580  1   661   661  H     HB    0.12  
322  575  1   492   493  HA2   HB    0.12  
323  575  1   492   493  HA3   HB    0.12  
324  562  1  1162  1164  HA    H     0.12  
325  556  1   266   267  H     H     0.12  
326  546  1   600   602  HB2   H     0.12  
327  546  1   600   602  HB3   H     0.12  
328  482  1   203   212  HB2   H     0.12  
329  482  1   203   212  HB3   H     0.12  
330  482  1  1155  1164  HB2   H     0.12  
331  482  1  1155  1164  HB3   H     0.12  
332  400  1  1206  1208  HB2   HE22  0.12  
333  400  1  1206  1208  HB3   HE22  0.12  
334  396  1   366   368  H     H     0.12  
335  396  1  1318  1320  H     H     0.12  
336  396  1  1374  1376  H     H     0.12  
337  371  1   197   200  HB    HE22  0.12  
338  365  1   981   984  H     H     0.12  
339  365  1  1373  1376  H     H     0.12  
340  293  1   975   977  HA    H     0.12  
341  182  1   409   427  H     HA    0.12  
342  182  1   521   539  H     HA    0.12  
343  182  1  1137  1155  H     HA    0.12  
344  181  1   129   147  H     H     0.12  
345  168  1   857   860  H     H     0.12  
346  139  1    16    36  HA    H     0.12  
347  139  1   464   484  HA    H     0.12  
348  137  1   184   203  HA    H     0.12  
349  137  1   576   595  HA    H     0.12  
350  111  1   910   931  HG2   H     0.12  
351  111  1   910   931  HG3   H     0.12  
352  111  1  1022  1043  HG2   H     0.12  
353  111  1  1022  1043  HG3   H     0.12  
354  101  1   294   313  HD2   HB2   0.12  
355  101  1   294   313  HD2   HB3   0.12  
356  101  1   294   313  HD3   HB2   0.12  
357  101  1   294   313  HD3   HB3   0.12  
358  101  1   854   873  HD2   HB2   0.12  
359  101  1   854   873  HD2   HB3   0.12  
360  101  1   854   873  HD3   HB2   0.12  
361  101  1   854   873  HD3   HB3   0.12  
362   85  1   293   321  HA    H     0.11  
363  655  1   833   834  HA2   HA    0.11  
364  655  1   833   834  HA3   HA    0.11  
365  604  1   159   159  H     HB    0.11  
366  604  1  1111  1111  H     HB    0.11  
367  590  1   269   270  HG11  HE22  0.11  
368  590  1   269   270  HG12  HE22  0.11  
369  590  1   269   270  HG13  HE22  0.11  
370  590  1   269   270  HG21  HE22  0.11  
371  590  1   269   270  HG22  HE22  0.11  
372  590  1   269   270  HG23  HE22  0.11  
373  580  1    45    45  H     HB    0.11  
374  580  1   101   101  H     HB    0.11  
375  580  1   157   157  H     HB    0.11  
376  573  1   492   493  HA2   H     0.11  
377  573  1   492   493  HA3   H     0.11  
378  568  1   155   156  HA2   HA2   0.11  
379  568  1   155   156  HA2   HA3   0.11  
380  568  1   155   156  HA3   HA2   0.11  
381  568  1   155   156  HA3   HA3   0.11  
382  562  1   602   604  HA    H     0.11  
383  556  1   546   547  H     H     0.11  
384  530  1   767   769  H     H     0.11  
385  518  1   149   157  HB2   HG11  0.11  
386  518  1   149   157  HB2   HG12  0.11  
387  518  1   149   157  HB2   HG13  0.11  
388  518  1   149   157  HB2   HG21  0.11  
389  518  1   149   157  HB2   HG22  0.11  
390  518  1   149   157  HB2   HG23  0.11  
391  518  1   149   157  HB3   HG11  0.11  
392  518  1   149   157  HB3   HG12  0.11  
393  518  1   149   157  HB3   HG13  0.11  
394  518  1   149   157  HB3   HG21  0.11  
395  518  1   149   157  HB3   HG22  0.11  
396  518  1   149   157  HB3   HG23  0.11  
397  518  1  1325  1333  HB2   HG11  0.11  
398  518  1  1325  1333  HB2   HG12  0.11  
399  518  1  1325  1333  HB2   HG13  0.11  
400  518  1  1325  1333  HB2   HG21  0.11  
401  518  1  1325  1333  HB2   HG22  0.11  
402  518  1  1325  1333  HB2   HG23  0.11  
403  518  1  1325  1333  HB3   HG11  0.11  
404  518  1  1325  1333  HB3   HG12  0.11  
405  518  1  1325  1333  HB3   HG13  0.11  
406  518  1  1325  1333  HB3   HG21  0.11  
407  518  1  1325  1333  HB3   HG22  0.11  
408  518  1  1325  1333  HB3   HG23  0.11  
409  493  1   148   151  H     H     0.11  
410  493  1  1380  1383  H     H     0.11  
411  482  1   987   996  HB2   H     0.11  
412  482  1   987   996  HB3   H     0.11  
413  475  1    91    98  H     HA    0.11  
414  448  1   816   820  H     HE1   0.11  
415  448  1  1320  1324  H     HE1   0.11  
416  400  1    86    88  HB2   HE22  0.11  
417  400  1    86    88  HB3   HE22  0.11  
418  400  1   870   872  HB2   HE22  0.11  
419  400  1   870   872  HB3   HE22  0.11  
420  400  1   982   984  HB2   HE22  0.11  
421  400  1   982   984  HB3   HE22  0.11  
422  396  1  1038  1040  H     H     0.11  
423  396  1  1150  1152  H     H     0.11  
424  365  1  1037  1040  H     H     0.11  
425  365  1  1317  1320  H     H     0.11  
426  265  1   133   149  H     HB2   0.11  
427  265  1   133   149  H     HB3   0.11  
428  191  1  1249  1274  H     HD1   0.11  
429  191  1  1249  1274  H     HD2   0.11  
430  181  1  1361  1379  H     H     0.11  
431  155  1   464   494  HA    HE21  0.11  
432  135  1   912   930  H     HA    0.11  
433  135  1  1136  1154  H     HA    0.11  
434  124  1   967   986  H     HA    0.11  
435  122  1   407   408  HG21  H     0.11  
436  122  1   407   408  HG22  H     0.11  
437  122  1   407   408  HG23  H     0.11  
438  119  1   463   464  H     HA    0.11  
439  119  1  1023  1024  H     HA    0.11  
440  119  1  1359  1360  H     HA    0.11  
441  112  1   798   819  HD2   H     0.11  
442  112  1   798   819  HD3   H     0.11  
443  111  1   854   875  HG2   H     0.11  
444  111  1   854   875  HG3   H     0.11  
445  111  1   966   987  HG2   H     0.11  
446  111  1   966   987  HG3   H     0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PHI    12   33.3  0  0.0   0.0   4  11.1  33.3  
2  PSI    13   36.1  2  5.6  15.4   9  25.0  69.2  
3  CHI1   11   30.6  0  0.0   0.0   0   0.0   0.0  
4  Total  36  100.0  2  5.6   5.6  13  36.1  36.1  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  19.90  8.11  5.10  6.00  
 2   2  14.20  5.50  4.30  4.15  
 3   3  17.40  7.19  5.50  5.44  
 4   4  18.40  8.25  6.60  5.20  
 5   5  12.30  5.18  3.45  4.37  
 6   6  14.20  4.60  2.90  4.32  
 7   7  18.30  6.30  5.20  5.20  
 8   8  12.90  4.34  2.70  4.36  
 9   9   7.70  4.20  4.00  2.29  
10  10  11.90  5.15  3.80  3.63  
11  11  16.00  7.60  6.60  4.71  
12  12  17.80  7.66  5.70  5.14  
13  13  14.00  6.33  2.60  5.42  
14  14  12.20  6.40  3.60  4.10  
15  15  12.50  6.43  4.30  4.35  
16  16  14.80  5.74  4.30  4.62  
17  17  13.80  6.57  3.70  5.15  
18  18  15.50  5.64  3.50  4.98  
19  19  19.30  8.77  6.40  5.60  
20  20  21.70  8.26  5.30  6.22  
21  21  16.60  9.00  7.80  3.79  
22  22  13.40  4.17  2.25  4.24  
23  23   9.80  4.20  3.15  2.58  
24  24  18.30  7.03  5.90  5.06  
25  25  19.70  8.30  6.25  5.22  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
  1   1  PHI     3  
  2   1  PSI     4  
  3   1  CHI1    0  
  4   1  Total   7  
  5   2  PHI     1  
  6   2  PSI     5  
  7   2  CHI1    0  
  8   2  Total   6  
  9   3  PHI     3  
 10   3  PSI     5  
 11   3  CHI1    0  
 12   3  Total   8  
 13   4  PHI     4  
 14   4  PSI     6  
 15   4  CHI1    0  
 16   4  Total  10  
 17   5  PHI     1  
 18   5  PSI     3  
 19   5  CHI1    0  
 20   5  Total   4  
 21   6  PHI     1  
 22   6  PSI     5  
 23   6  CHI1    0  
 24   6  Total   6  
 25   7  PHI     3  
 26   7  PSI     5  
 27   7  CHI1    0  
 28   7  Total   8  
 29   8  PHI     1  
 30   8  PSI     4  
 31   8  CHI1    0  
 32   8  Total   5  
 33   9  PHI     2  
 34   9  PSI     3  
 35   9  CHI1    0  
 36   9  Total   5  
 37  10  PHI     1  
 38  10  PSI     5  
 39  10  CHI1    0  
 40  10  Total   6  
 41  11  PHI     3  
 42  11  PSI     6  
 43  11  CHI1    0  
 44  11  Total   9  
 45  12  PHI     3  
 46  12  PSI     5  
 47  12  CHI1    0  
 48  12  Total   8  
 49  13  PHI     1  
 50  13  PSI     2  
 51  13  CHI1    0  
 52  13  Total   3  
 53  14  PHI     0  
 54  14  PSI     3  
 55  14  CHI1    0  
 56  14  Total   3  
 57  15  PHI     0  
 58  15  PSI     3  
 59  15  CHI1    0  
 60  15  Total   3  
 61  16  PHI     1  
 62  16  PSI     4  
 63  16  CHI1    0  
 64  16  Total   5  
 65  17  PHI     0  
 66  17  PSI     3  
 67  17  CHI1    0  
 68  17  Total   3  
 69  18  PHI     1  
 70  18  PSI     4  
 71  18  CHI1    0  
 72  18  Total   5  
 73  19  PHI     3  
 74  19  PSI     3  
 75  19  CHI1    0  
 76  19  Total   6  
 77  20  PHI     3  
 78  20  PSI     4  
 79  20  CHI1    0  
 80  20  Total   7  
 81  21  PHI     4  
 82  21  PSI     5  
 83  21  CHI1    0  
 84  21  Total   9  
 85  22  PHI     2  
 86  22  PSI     4  
 87  22  CHI1    0  
 88  22  Total   6  
 89  23  PHI     2  
 90  23  PSI     6  
 91  23  CHI1    0  
 92  23  Total   8  
 93  24  PHI     3  
 94  24  PSI     4  
 95  24  CHI1    0  
 96  24  Total   7  
 97  25  PHI     3  
 98  25  PSI     3  
 99  25  CHI1    0  
100  25  Total   6  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    4.0  
 2   2    8.0  
 3   3   12.0  
 4   4   16.0  
 5   5   20.0  
 6   6   24.0  
 7   7   28.0  
 8   8   32.0  
 9   9   36.0  
10  10   40.0  
11  11   44.0  
12  12   48.0  
13  13   52.0  
14  14   56.0  
15  15   60.0  
16  16   64.0  
17  17   68.0  
18  18   72.0  
19  19   76.0  
20  20   80.0  
21  21   84.0  
22  22   88.0  
23  23   92.0  
24  24   96.0  
25  25  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
  1   1  PHI    0  
  2   1  PSI    2  
  3   1  CHI1   0  
  4   1  Total  2  
  5   2  PHI    1  
  6   2  PSI    0  
  7   2  CHI1   0  
  8   2  Total  1  
  9   3  PHI    0  
 10   3  PSI    0  
 11   3  CHI1   0  
 12   3  Total  0  
 13   4  PHI    0  
 14   4  PSI    0  
 15   4  CHI1   0  
 16   4  Total  0  
 17   5  PHI    0  
 18   5  PSI    0  
 19   5  CHI1   0  
 20   5  Total  0  
 21   6  PHI    0  
 22   6  PSI    2  
 23   6  CHI1   0  
 24   6  Total  2  
 25   7  PHI    0  
 26   7  PSI    0  
 27   7  CHI1   0  
 28   7  Total  0  
 29   8  PHI    0  
 30   8  PSI    0  
 31   8  CHI1   0  
 32   8  Total  0  
 33   9  PHI    0  
 34   9  PSI    1  
 35   9  CHI1   0  
 36   9  Total  1  
 37  10  PHI    0  
 38  10  PSI    0  
 39  10  CHI1   0  
 40  10  Total  0  
 41  11  PHI    1  
 42  11  PSI    0  
 43  11  CHI1   0  
 44  11  Total  1  
 45  12  PHI    0  
 46  12  PSI    1  
 47  12  CHI1   0  
 48  12  Total  1  
 49  13  PHI    0  
 50  13  PSI    0  
 51  13  CHI1   0  
 52  13  Total  0  
 53  14  PHI    0  
 54  14  PSI    0  
 55  14  CHI1   0  
 56  14  Total  0  
 57  15  PHI    0  
 58  15  PSI    0  
 59  15  CHI1   0  
 60  15  Total  0  
 61  16  PHI    0  
 62  16  PSI    0  
 63  16  CHI1   0  
 64  16  Total  0  
 65  17  PHI    1  
 66  17  PSI    0  
 67  17  CHI1   0  
 68  17  Total  1  
 69  18  PHI    0  
 70  18  PSI    0  
 71  18  CHI1   0  
 72  18  Total  0  
 73  19  PHI    1  
 74  19  PSI    1  
 75  19  CHI1   0  
 76  19  Total  2  
 77  20  PHI    0  
 78  20  PSI    0  
 79  20  CHI1   0  
 80  20  Total  0  
 81  21  PHI    0  
 82  21  PSI    0  
 83  21  CHI1   0  
 84  21  Total  0  
 85  22  PHI    0  
 86  22  PSI    0  
 87  22  CHI1   0  
 88  22  Total  0  
 89  23  PHI    0  
 90  23  PSI    0  
 91  23  CHI1   0  
 92  23  Total  0  
 93  24  PHI    0  
 94  24  PSI    0  
 95  24  CHI1   0  
 96  24  Total  0  
 97  25  PHI    0  
 98  25  PSI    2  
 99  25  CHI1   0  
100  25  Total  2  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0    9.9  4.7  
2  10.0-20.0  19.9  1.4  
3  >20.0      21.7  0.0  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
 1  14  1  .  A  398  HIS  ?     1  A  36  N  A  .  398  HIS  36  A  1  ?     CA  .  A  398  HIS  ?     1  A  36  C   A  .  399  PRO  37  A  1  ?     N  25  12.37  12.90  2.28  
 2  17  1  .  A  400  GLY  ?     1  A  38  N  A  .  400  GLY  38  A  1  ?     CA  .  A  400  GLY  ?     1  A  38  C   A  .  401  ASP  39  A  1  ?     N  25   4.52   4.20  1.36  
 3   2  1  .  A  391  VAL  ?     1  A  29  N  A  .  391  VAL  29  A  1  ?     CA  .  A  391  VAL  ?     1  A  29  C   A  .  392  HIS  30  A  1  ?     N  19   5.84   6.60  2.91  
 4  13  1  .  A  397  SER  ?     1  A  35  C  A  .  398  HIS  36  A  1  ?     N   .  A  398  HIS  ?     1  A  36  CA  A  .  398  HIS  36  A  1  ?     C  19   3.69   4.00  1.33  
 5  18  1  .  A  400  GLY  ?     1  A  38  C  A  .  401  ASP  39  A  1  ?     N   .  A  401  ASP  ?     1  A  39  CA  A  .  401  ASP  39  A  1  ?     C  17   4.06   3.50  2.66  
 6  15  1  .  A  399  PRO  ?     1  A  37  N  A  .  399  PRO  37  A  1  ?     CA  .  A  399  PRO  ?     1  A  37  C   A  .  400  GLY  38  A  1  ?     N  12   1.96   2.00  0.64  
 7   1  1  .  A  390  PRO  ?     1  A  28  C  A  .  391  VAL  29  A  1  ?     N   .  A  391  VAL  ?     1  A  29  CA  A  .  391  VAL  29  A  1  ?     C  11  18.49  18.30  1.54  
 8  10  1  .  A  396  PHE  ?     1  A  34  N  A  .  396  PHE  34  A  1  ?     CA  .  A  396  PHE  ?     1  A  34  C   A  .  397  SER  35  A  1  ?     N   9   3.34   3.30  1.10  
 9  23  1  .  A  403  ASP  ?     1  A  41  N  A  .  403  ASP  41  A  1  ?     CA  .  A  403  ASP  ?     1  A  41  C   A  .  404  TYR  42  A  1  ?     N   6   6.25   5.60  4.29  
10  25  1  .  A  404  TYR  ?     1  A  42  N  A  .  404  TYR  42  A  1  ?     CA  .  A  404  TYR  ?     1  A  42  C   A  .  405  GLY  43  A  1  ?     N   6   5.60   6.20  2.26  
11  22  1  .  A  402  SER  ?     1  A  40  C  A  .  403  ASP  41  A  1  ?     N   .  A  403  ASP  ?     1  A  41  CA  A  .  403  ASP  41  A  1  ?     C   2   4.15   4.15  2.15  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
  1   1  1  1092  1093  1093  1093  C  N   CA  C  21.70  
  2   1  1    28    29    29    29  C  N   CA  C  19.90  
  3   1  1  1372  1373  1373  1373  C  N   CA  C  19.70  
  4   1  1  1036  1037  1037  1037  C  N   CA  C  19.30  
  5   1  1   196   197   197   197  C  N   CA  C  18.40  
  6   1  1   364   365   365   365  C  N   CA  C  18.30  
  7   1  1  1316  1317  1317  1317  C  N   CA  C  18.30  
  8   1  1   644   645   645   645  C  N   CA  C  17.80  
  9   1  1   140   141   141   141  C  N   CA  C  17.40  
 10   1  1  1148  1149  1149  1149  C  N   CA  C  16.60  
 11   1  1   588   589   589   589  C  N   CA  C  16.00  
 12  14  1   596   596   596   597  N  CA  C   N  15.50  
 13  14  1   988   988   988   989  N  CA  C   N  15.50  
 14  14  1   876   876   876   877  N  CA  C   N  14.80  
 15  14  1    92    92    92    93  N  CA  C   N  14.20  
 16  14  1   316   316   316   317  N  CA  C   N  14.20  
 17  14  1   708   708   708   709  N  CA  C   N  14.00  
 18  14  1   204   204   204   205  N  CA  C   N  13.80  
 19  14  1   652   652   652   653  N  CA  C   N  13.80  
 20  14  1   932   932   932   933  N  CA  C   N  13.80  
 21  14  1   148   148   148   149  N  CA  C   N  13.50  
 22  14  1  1212  1212  1212  1213  N  CA  C   N  13.40  
 23  23  1   209   209   209   210  N  CA  C   N  13.30  
 24  14  1  1156  1156  1156  1157  N  CA  C   N  13.30  
 25  14  1   428   428   428   429  N  CA  C   N  12.90  
 26  14  1   820   820   820   821  N  CA  C   N  12.50  
 27  14  1  1044  1044  1044  1045  N  CA  C   N  12.40  
 28  14  1    36    36    36    37  N  CA  C   N  12.30  
 29  14  1   260   260   260   261  N  CA  C   N  12.30  
 30  14  1   764   764   764   765  N  CA  C   N  12.20  
 31  14  1   540   540   540   541  N  CA  C   N  11.90  
 32  14  1  1100  1100  1100  1101  N  CA  C   N  11.10  
 33   2  1    29    29    29    30  N  CA  C   N  10.40  
 34  18  1  1158  1159  1159  1159  C  N   CA  C  10.40  
 35  18  1   206   207   207   207  C  N   CA  C  10.20  
 36  23  1  1161  1161  1161  1162  N  CA  C   N   9.90  
 37  14  1  1268  1268  1268  1269  N  CA  C   N   9.80  
 38   2  1  1093  1093  1093  1094  N  CA  C   N   9.60  
 39   2  1   141   141   141   142  N  CA  C   N   9.20  
 40   2  1   589   589   589   590  N  CA  C   N   8.70  
 41   2  1  1037  1037  1037  1038  N  CA  C   N   8.40  
 42  14  1   372   372   372   373  N  CA  C   N   8.30  
 43  25  1   658   658   658   659  N  CA  C   N   8.10  
 44  14  1  1324  1324  1324  1325  N  CA  C   N   8.10  
 45   2  1   365   365   365   366  N  CA  C   N   8.00  
 46   2  1   197   197   197   198  N  CA  C   N   7.90  
 47  14  1  1380  1380  1380  1381  N  CA  C   N   7.90  
 48   2  1  1149  1149  1149  1150  N  CA  C   N   7.80  
 49  17  1   542   542   542   543  N  CA  C   N   7.80  
 50  14  1   484   484   484   485  N  CA  C   N   7.70  
 51  25  1  1162  1162  1162  1163  N  CA  C   N   7.40  
 52  17  1  1326  1326  1326  1327  N  CA  C   N   7.40  
 53  25  1   602   602   602   603  N  CA  C   N   7.10  
 54   2  1  1373  1373  1373  1374  N  CA  C   N   6.90  
 55  23  1   601   601   601   602  N  CA  C   N   6.60  
 56   2  1   645   645   645   646  N  CA  C   N   6.60  
 57  17  1  1270  1270  1270  1271  N  CA  C   N   6.60  
 58  22  1  1160  1161  1161  1161  C  N   CA  C   6.30  
 59   2  1  1317  1317  1317  1318  N  CA  C   N   5.90  
 60  17  1   150   150   150   151  N  CA  C   N   5.90  
 61  13  1   371   372   372   372  C  N   CA  C   5.80  
 62  10  1    90    90    90    91  N  CA  C   N   5.80  
 63  18  1  1382  1383  1383  1383  C  N   CA  C   5.60  
 64  17  1   486   486   486   487  N  CA  C   N   5.60  
 65  17  1    94    94    94    95  N  CA  C   N   5.50  
 66  13  1  1155  1156  1156  1156  C  N   CA  C   5.40  
 67  25  1   210   210   210   211  N  CA  C   N   5.30  
 68  13  1  1099  1100  1100  1100  C  N   CA  C   5.30  
 69  17  1   262   262   262   263  N  CA  C   N   5.20  
 70  18  1   150   151   151   151  C  N   CA  C   5.10  
 71  13  1    35    36    36    36  C  N   CA  C   5.10  
 72  17  1   206   206   206   207  N  CA  C   N   5.00  
 73  17  1  1382  1382  1382  1383  N  CA  C   N   5.00  
 74  18  1  1326  1327  1327  1327  C  N   CA  C   4.90  
 75  17  1   654   654   654   655  N  CA  C   N   4.80  
 76  13  1  1379  1380  1380  1380  C  N   CA  C   4.70  
 77  23  1  1273  1273  1273  1274  N  CA  C   N   4.60  
 78  17  1   374   374   374   375  N  CA  C   N   4.60  
 79  18  1   654   655   655   655  C  N   CA  C   4.50  
 80  13  1   651   652   652   652  C  N   CA  C   4.50  
 81  13  1  1043  1044  1044  1044  C  N   CA  C   4.40  
 82  18  1  1046  1047  1047  1047  C  N   CA  C   4.30  
 83  17  1   822   822   822   823  N  CA  C   N   4.30  
 84  13  1   875   876   876   876  C  N   CA  C   4.30  
 85  10  1   874   874   874   875  N  CA  C   N   4.30  
 86  25  1   994   994   994   995  N  CA  C   N   4.20  
 87   2  1   533   533   533   534  N  CA  C   N   4.20  
 88  17  1  1214  1214  1214  1215  N  CA  C   N   4.20  
 89  17  1    38    38    38    39  N  CA  C   N   4.10  
 90  13  1   147   148   148   148  C  N   CA  C   4.10  
 91  18  1   598   599   599   599  C  N   CA  C   4.00  
 92  13  1   483   484   484   484  C  N   CA  C   4.00  
 93  13  1   595   596   596   596  C  N   CA  C   4.00  
 94  17  1   598   598   598   599  N  CA  C   N   3.90  
 95  17  1  1158  1158  1158  1159  N  CA  C   N   3.90  
 96  17  1  1046  1046  1046  1047  N  CA  C   N   3.80  
 97  17  1   934   934   934   935  N  CA  C   N   3.70  
 98  17  1   766   766   766   767  N  CA  C   N   3.60  
 99   2  1   421   421   421   422  N  CA  C   N   3.50  
100  18  1   990   991   991   991  C  N   CA  C   3.50  
101  17  1   878   878   878   879  N  CA  C   N   3.50  
102  12  1  1099  1099  1099  1100  N  CA  C   N   3.50  
103  10  1    34    34    34    35  N  CA  C   N   3.50  
104  18  1  1270  1271  1271  1271  C  N   CA  C   3.40  
105  15  1   765   765   765   766  N  CA  C   N   3.40  
106  10  1   538   538   538   539  N  CA  C   N   3.40  
107   2  1   309   309   309   310  N  CA  C   N   3.30  
108  18  1  1102  1103  1103  1103  C  N   CA  C   3.30  
109  17  1  1102  1102  1102  1103  N  CA  C   N   3.30  
110  13  1   203   204   204   204  C  N   CA  C   3.30  
111  10  1   202   202   202   203  N  CA  C   N   3.30  
112  17  1   318   318   318   319  N  CA  C   N   3.20  
113  13  1    91    92    92    92  C  N   CA  C   3.10  
114  17  1   990   990   990   991  N  CA  C   N   3.00  
115  10  1  1266  1266  1266  1267  N  CA  C   N   2.90  
116   2  1  1205  1205  1205  1206  N  CA  C   N   2.70  
117  17  1   430   430   430   431  N  CA  C   N   2.70  
118  19  1   375   375   375   376  N  CA  C   N   2.60  
119  18  1   710   711   711   711  C  N   CA  C   2.60  
120  13  1  1267  1268  1268  1268  C  N   CA  C   2.60  
121  13  1  1323  1324  1324  1324  C  N   CA  C   2.60  
122  10  1   314   314   314   315  N  CA  C   N   2.60  
123  10  1   594   594   594   595  N  CA  C   N   2.60  
124  15  1   485   485   485   486  N  CA  C   N   2.50  
125  15  1   821   821   821   822  N  CA  C   N   2.50  
126  13  1   315   316   316   316  C  N   CA  C   2.50  
127  17  1   710   710   710   711  N  CA  C   N   2.40  
128  15  1    93    93    93    94  N  CA  C   N   2.30  
129   2  1   925   925   925   926  N  CA  C   N   2.20  
130   2  1    85    85    85    86  N  CA  C   N   2.10  
131  22  1   208   209   209   209  C  N   CA  C   2.00  
132  15  1   989   989   989   990  N  CA  C   N   2.00  
133  15  1  1269  1269  1269  1270  N  CA  C   N   2.00  
134  15  1  1325  1325  1325  1326  N  CA  C   N   2.00  
135  23  1   545   545   545   546  N  CA  C   N   1.90  
136   2  1   869   869   869   870  N  CA  C   N   1.80  
137  18  1  1214  1215  1215  1215  C  N   CA  C   1.80  
138  15  1   317   317   317   318  N  CA  C   N   1.80  
139   2  1  1261  1261  1261  1262  N  CA  C   N   1.70  
140  18  1   542   543   543   543  C  N   CA  C   1.70  
141  13  1   259   260   260   260  C  N   CA  C   1.70  
142  10  1   370   370   370   371  N  CA  C   N   1.70  
143  15  1  1213  1213  1213  1214  N  CA  C   N   1.60  
144  25  1   266   266   266   267  N  CA  C   N   1.50  
145  18  1    38    39    39    39  C  N   CA  C   1.50  
146  13  1   427   428   428   428  C  N   CA  C   1.50  
147  13  1  1211  1212  1212  1212  C  N   CA  C   1.30  
148  23  1   153   153   153   154  N  CA  C   N   1.20  
149  18  1   486   487   487   487  C  N   CA  C   1.20  
150  15  1   653   653   653   654  N  CA  C   N   1.20  
151  18  1   374   375   375   375  C  N   CA  C   1.10  
152  15  1   149   149   149   150  N  CA  C   N   1.10  
153  15  1   429   429   429   430  N  CA  C   N   1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  mogul                  unknown                                                               Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
