data_7N20

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7N20   
BMRB  30916  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    7N20
_pdbx_vrpt_summary.PDB_deposition_date         2021-05-28
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-15
_pdbx_vrpt_summary.report_creation_date        2023-11-08:08:09
_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
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Alpha-conotoxin AnIB"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   99.94  158937  ?     ?     
2  2  1  100.00   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   88.51  154315  ?     ?     
6  2  3   97.43   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A  100.00  
12  6  3  A   3  1  A  100.00  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A  100.00  
16  6  3  A   4  1  A  100.00  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A  100.00  
24  6  3  A   6  1  A  100.00  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A  100.00  
36  6  3  A   9  1  A  100.00  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A  100.00  
40  6  3  A  10  1  A  100.00  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A  100.00  
44  6  3  A  11  1  A  100.00  
45  3  2  A  12  1  A    1.02  
46  4  2  A  12  1  A    1.02  
47  5  3  A  12  1  A  100.00  
48  6  3  A  12  1  A  100.00  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A    9.03  
52  6  3  A  13  1  A    9.03  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A    1.02  
58  4  2  A  15  1  A    1.02  
59  5  3  A  15  1  A  100.00  
60  6  3  A  15  1  A  100.00  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A  100.00  
64  6  3  A  16  1  A  100.00  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A  100.00  
68  6  3  A  17  1  A  100.00  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A  100.00  
72  6  3  A  18  1  A  100.00  
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  100.00  
76  6  3  A  19  1  A  100.00  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A  100.00  
80  6  3  A  20  1  A  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.48  0.53  103  137  
 2   2  1  A  A  0.52  0.58  103  137  
 3   3  1  A  A  0.48  0.54  103  137  
 4   4  1  A  A  0.51  0.54  103  137  
 5   5  1  A  A  0.53  0.53  103  137  
 6   6  1  A  A  0.47  0.57  103  137  
 7   7  1  A  A  0.50  0.54  103  137  
 8   8  1  A  A  0.47  0.56  103  137  
 9   9  1  A  A  0.48  0.56  103  137  
10  10  1  A  A  0.48  0.58  103  137  
11  11  1  A  A  0.50  0.58  103  137  
12  12  1  A  A  0.46  0.57  103  137  
13  13  1  A  A  0.46  0.54  103  137  
14  14  1  A  A  0.49  0.56  103  137  
15  15  1  A  A  0.48  0.57  103  137  
16  16  1  A  A  0.45  0.58  103  137  
17  17  1  A  A  0.48  0.56  103  137  
18  18  1  A  A  0.48  0.54  103  137  
19  19  1  A  A  0.41  0.57  103  137  
20  20  1  A  A  0.50  0.54  103  137  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.67
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   0.50
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       0.45
_pdbx_vrpt_summary_geometry.clashscore_full_length                     3.58
_pdbx_vrpt_summary_geometry.num_H_reduce                               1788
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2060
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.56
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            2740
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.48
#
_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            10
_pdbx_vrpt_summary_nmr.medoid_model                             10
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              0
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              79.85
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  78.57
#
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
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
  1   1  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
  2   1  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
  3   1  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
  4   1  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
  5   1  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
  6   1  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
  7   1  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
  8   1  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
  9   1  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
 10   1  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
 11   1  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
 12   1  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 13   1  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
 14   1  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
 15   1  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
 16   1  1  A  16  TYS  A  16  .  ?        ?     1     1     ?  Y     
 17   1  1  A  17  CYS  A  17  .  ?        ?     ?     ?     ?  ?     
 18   1  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  Y     
 19   2  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 20   2  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
 21   2  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 22   2  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
 23   2  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
 24   2  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
 25   2  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
 26   2  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
 27   2  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
 28   2  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
 29   2  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
 30   2  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 31   2  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
 32   2  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
 33   2  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
 34   2  1  A  16  TYS  A  16  .  ?        ?     1     ?     ?  ?     
 35   2  1  A  17  CYS  A  17  .  ?        ?     ?     ?     ?  ?     
 36   2  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
 37   3  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 38   3  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
 39   3  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 40   3  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
 41   3  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
 42   3  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
 43   3  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
 44   3  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
 45   3  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
 46   3  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
 47   3  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
 48   3  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 49   3  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
 50   3  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
 51   3  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
 52   3  1  A  16  TYS  A  16  .  ?        1     1     ?     2  ?     
 53   3  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
 54   3  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
 55   4  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 56   4  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
 57   4  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 58   4  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
 59   4  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
 60   4  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
 61   4  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
 62   4  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
 63   4  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
 64   4  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
 65   4  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
 66   4  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 67   4  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
 68   4  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
 69   4  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
 70   4  1  A  16  TYS  A  16  .  ?        1     1     ?     ?  ?     
 71   4  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
 72   4  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
 73   5  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 74   5  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
 75   5  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 76   5  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
 77   5  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
 78   5  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
 79   5  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
 80   5  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
 81   5  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
 82   5  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
 83   5  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
 84   5  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 85   5  1  A  13  ASN  A  13  .  ?        1     ?     ?     ?  ?     
 86   5  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
 87   5  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
 88   5  1  A  16  TYS  A  16  .  ?        2     1     1     2  ?     
 89   5  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
 90   5  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
 91   6  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 92   6  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
 93   6  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 94   6  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
 95   6  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
 96   6  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
 97   6  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
 98   6  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
 99   6  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
100   6  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
101   6  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
102   6  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
103   6  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
104   6  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
105   6  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
106   6  1  A  16  TYS  A  16  .  ?        1     2     ?     ?  ?     
107   6  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
108   6  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
109   7  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
110   7  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
111   7  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
112   7  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
113   7  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
114   7  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
115   7  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
116   7  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
117   7  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
118   7  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
119   7  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
120   7  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
121   7  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
122   7  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
123   7  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
124   7  1  A  16  TYS  A  16  .  ?        1     1     ?     ?  ?     
125   7  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
126   7  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
127   8  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
128   8  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
129   8  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
130   8  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
131   8  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
132   8  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
133   8  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
134   8  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
135   8  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
136   8  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
137   8  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
138   8  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
139   8  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
140   8  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
141   8  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
142   8  1  A  16  TYS  A  16  .  ?        1     1     ?     ?  ?     
143   8  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
144   8  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
145   9  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
146   9  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
147   9  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
148   9  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
149   9  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
150   9  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
151   9  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
152   9  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
153   9  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
154   9  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
155   9  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
156   9  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
157   9  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
158   9  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
159   9  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
160   9  1  A  16  TYS  A  16  .  ?        1     1     ?     ?  ?     
161   9  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
162   9  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
163  10  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
164  10  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
165  10  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
166  10  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
167  10  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
168  10  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
169  10  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
170  10  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
171  10  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
172  10  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
173  10  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
174  10  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
175  10  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
176  10  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
177  10  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
178  10  1  A  16  TYS  A  16  .  ?        1     2     ?     ?  ?     
179  10  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
180  10  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
181  11  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
182  11  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
183  11  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
184  11  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
185  11  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
186  11  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
187  11  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
188  11  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
189  11  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
190  11  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
191  11  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
192  11  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
193  11  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
194  11  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
195  11  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
196  11  1  A  16  TYS  A  16  .  ?        1     1     ?     2  ?     
197  11  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
198  11  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
199  12  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
200  12  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
201  12  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
202  12  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
203  12  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
204  12  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
205  12  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
206  12  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
207  12  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
208  12  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
209  12  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
210  12  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
211  12  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
212  12  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
213  12  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
214  12  1  A  16  TYS  A  16  .  ?        1     2     ?     ?  ?     
215  12  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
216  12  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
217  13  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
218  13  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
219  13  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
220  13  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
221  13  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
222  13  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
223  13  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
224  13  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
225  13  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
226  13  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
227  13  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
228  13  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
229  13  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
230  13  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
231  13  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
232  13  1  A  16  TYS  A  16  .  ?        1     2     ?     ?  ?     
233  13  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
234  13  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
235  14  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
236  14  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
237  14  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
238  14  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
239  14  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
240  14  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
241  14  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
242  14  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
243  14  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
244  14  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
245  14  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
246  14  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
247  14  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
248  14  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
249  14  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
250  14  1  A  16  TYS  A  16  .  ?        1     1     ?     ?  ?     
251  14  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
252  14  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
253  15  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
254  15  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
255  15  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
256  15  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
257  15  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
258  15  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
259  15  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
260  15  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
261  15  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
262  15  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
263  15  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
264  15  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
265  15  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
266  15  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
267  15  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
268  15  1  A  16  TYS  A  16  .  ?        1     1     1     ?  ?     
269  15  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
270  15  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
271  16  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
272  16  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
273  16  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
274  16  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
275  16  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
276  16  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
277  16  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
278  16  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
279  16  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
280  16  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
281  16  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
282  16  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
283  16  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
284  16  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
285  16  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
286  16  1  A  16  TYS  A  16  .  ?        ?     2     1     ?  ?     
287  16  1  A  17  CYS  A  17  .  ?        ?     ?     ?     ?  ?     
288  16  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
289  17  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
290  17  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
291  17  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
292  17  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
293  17  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
294  17  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
295  17  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
296  17  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
297  17  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
298  17  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
299  17  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
300  17  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
301  17  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
302  17  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
303  17  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
304  17  1  A  16  TYS  A  16  .  ?        1     2     1     ?  ?     
305  17  1  A  17  CYS  A  17  .  ?        1     ?     ?     ?  ?     
306  17  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
307  18  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
308  18  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
309  18  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
310  18  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
311  18  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
312  18  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
313  18  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
314  18  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
315  18  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
316  18  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
317  18  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
318  18  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
319  18  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
320  18  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
321  18  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
322  18  1  A  16  TYS  A  16  .  ?        ?     2     1     ?  ?     
323  18  1  A  17  CYS  A  17  .  ?        ?     ?     ?     ?  ?     
324  18  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
325  19  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
326  19  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
327  19  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
328  19  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
329  19  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
330  19  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
331  19  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
332  19  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
333  19  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
334  19  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
335  19  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
336  19  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
337  19  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
338  19  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
339  19  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
340  19  1  A  16  TYS  A  16  .  ?        ?     2     ?     ?  ?     
341  19  1  A  17  CYS  A  17  .  ?        ?     ?     ?     ?  ?     
342  19  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
343  20  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
344  20  1  A   2  GLY  A   2  .  ?        ?     ?     ?     ?  ?     
345  20  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
346  20  1  A   4  CYS  A   4  .  ?        ?     ?     ?     ?  ?     
347  20  1  A   5  SER  A   5  .  ?        ?     ?     ?     ?  ?     
348  20  1  A   6  HIS  A   6  .  ?        ?     ?     ?     ?  ?     
349  20  1  A   7  PRO  A   7  .  ?        ?     ?     ?     ?  ?     
350  20  1  A   8  ALA  A   8  .  ?        ?     ?     ?     ?  ?     
351  20  1  A   9  CYS  A   9  .  ?        ?     ?     ?     ?  ?     
352  20  1  A  10  ALA  A  10  .  ?        ?     ?     ?     ?  ?     
353  20  1  A  11  ALA  A  11  .  ?        ?     ?     ?     ?  ?     
354  20  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
355  20  1  A  13  ASN  A  13  .  ?        ?     ?     ?     ?  ?     
356  20  1  A  14  GLN  A  14  .  ?        ?     ?     ?     ?  ?     
357  20  1  A  15  ASP  A  15  .  ?        ?     ?     ?     ?  ?     
358  20  1  A  16  TYS  A  16  .  ?        ?     2     1     ?  ?     
359  20  1  A  17  CYS  A  17  .  ?        ?     ?     ?     ?  ?     
360  20  1  A  18  NH2  A  18  .  ?        ?     ?     ?     ?  ?     
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  ?             ?       ?  ?           5     4  0.53     5  0.45  molprobity     ?  False  
  2    2  ?         127.5    -4.2  Favored     3     4  0.87     5  0.16  molprobity     ?  False  
  3    3  t         -69.1   -28.4  Favored     4     6  0.50     8  0.48  molprobity     ?  False  
  4    4  m         -70.5   -11.5  Favored     4     6  0.29     8  0.44  molprobity     1  True   
  5    5  m         -81.7    -5.7  Favored     5     6  0.60     8  0.53  molprobity     1  True   
  6    6  m-70     -105.5   114.7  Favored     7    11  0.47    16  0.63  molprobity     1  True   
  7    7  Cg_exo    -47.4   -46.5  Favored     7     8  0.32    11  0.33  molprobity     1  True   
  8    8  ?         -65.0   -42.8  Favored     5     5  0.45     7  0.45  molprobity     1  True   
  9    9  t         -62.0   -49.9  Favored     4     6  0.54     8  0.44  molprobity     1  True   
 10   10  ?         -68.7   -31.4  Favored     5     5  0.54     7  0.22  molprobity     1  True   
 11   11  ?         -71.0   -40.5  Favored     5     5  0.52     7  0.35  molprobity     1  True   
 12   12  m-80      -82.3   -22.5  Favored     6     8  0.59    11  0.37  molprobity     1  True   
 13   13  m-80     -118.7    86.0  Favored     6     8  0.74    11  0.44  molprobity     1  True   
 14   14  mm-40     -80.0   -13.6  Favored     8     9  0.54    12  0.58  molprobity     1  True   
 15   15  p-10      -84.5   -35.0  Favored     4     7  0.33     8  0.70  molprobity     1  True   
 16   16  ?             ?       ?  ?           8    15  1.43    18  0.75  mogul          ?  False  
 17   17  m        -120.3   -76.2  Allowed     4     5  0.57     5  0.43  molprobity     1  True   
 18   18  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 19   19  ?             ?       ?  ?           5     4  0.88     5  0.77  molprobity     ?  False  
 20   20  ?         130.5   -35.9  Favored     3     4  1.04     5  0.39  molprobity     ?  False  
 21   21  t         -73.6   -25.2  Favored     4     6  0.53     8  0.33  molprobity     ?  False  
 22   22  m         -73.7   -12.7  Favored     4     6  0.14     8  0.24  molprobity     1  True   
 23   23  m         -73.2    -8.6  Favored     5     6  0.43     8  0.45  molprobity     1  True   
 24   24  m-70     -113.0   109.7  Favored     7    11  0.61    16  0.61  molprobity     1  True   
 25   25  Cg_exo    -47.5   -40.4  Favored     7     8  0.49    11  0.40  molprobity     1  True   
 26   26  ?         -67.8   -40.5  Favored     5     5  0.28     7  0.60  molprobity     1  True   
 27   27  t         -67.6   -39.2  Favored     4     6  0.57     8  0.50  molprobity     1  True   
 28   28  ?         -63.5   -36.6  Favored     5     5  0.45     7  0.23  molprobity     1  True   
 29   29  ?         -76.5   -29.4  Favored     5     5  0.49     7  0.31  molprobity     1  True   
 30   30  m-80      -84.8   -16.4  Favored     6     8  0.72    11  0.45  molprobity     1  True   
 31   31  m-20     -126.1    88.5  Favored     6     8  0.76    11  0.55  molprobity     1  True   
 32   32  mm-40     -78.5   -32.1  Favored     8     9  0.53    12  0.47  molprobity     1  True   
 33   33  p-10      -87.8   -19.4  Favored     4     7  0.41     8  1.03  molprobity     1  True   
 34   34  ?             ?       ?  ?           7    15  1.55    18  0.67  mogul          ?  False  
 35   35  m        -122.4   -82.6  Allowed     4     5  0.56     5  0.30  molprobity     1  True   
 36   36  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 37   37  ?             ?       ?  ?           5     4  0.71     5  0.47  molprobity     ?  False  
 38   38  ?         104.3  -175.9  Favored     3     4  0.98     5  0.41  molprobity     ?  False  
 39   39  t         -77.7   -25.1  Favored     4     6  0.37     8  0.39  molprobity     ?  False  
 40   40  m         -67.0   -16.5  Favored     4     6  0.42     8  0.29  molprobity     1  True   
 41   41  m         -78.5   -18.0  Favored     5     6  0.72     8  0.56  molprobity     1  True   
 42   42  m-70      -92.6   121.3  Favored     7    11  0.45    16  0.54  molprobity     1  True   
 43   43  Cg_exo    -47.9   -54.9  Favored     7     8  0.39    11  0.43  molprobity     1  True   
 44   44  ?         -65.8   -41.4  Favored     5     5  0.31     7  0.59  molprobity     1  True   
 45   45  t         -62.4   -47.1  Favored     4     6  0.48     8  0.41  molprobity     1  True   
 46   46  ?         -68.4   -38.7  Favored     5     5  0.48     7  0.20  molprobity     1  True   
 47   47  ?         -68.5   -38.0  Favored     5     5  0.34     7  0.29  molprobity     1  True   
 48   48  m-20      -79.8   -14.5  Favored     6     8  0.57    11  0.41  molprobity     1  True   
 49   49  m-80     -130.1    86.5  Favored     6     8  0.75    11  0.50  molprobity     1  True   
 50   50  mm-40     -81.3   -19.2  Favored     8     9  0.54    12  0.44  molprobity     1  True   
 51   51  p30       -77.3   -22.3  Favored     4     7  0.34     8  0.81  molprobity     1  True   
 52   52  ?             ?       ?  ?           7    15  1.44    18  0.74  mogul          ?  False  
 53   53  m        -131.9    78.7  Allowed     4     5  0.59     5  0.55  molprobity     1  True   
 54   54  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 55   55  ?             ?       ?  ?           5     4  0.79     5  0.62  molprobity     ?  False  
 56   56  ?         -66.0   149.9  Favored     3     4  0.80     5  0.36  molprobity     ?  False  
 57   57  t         -63.2   -32.7  Favored     4     6  0.47     8  0.33  molprobity     ?  False  
 58   58  m         -82.7    -8.9  Favored     4     6  0.38     8  0.36  molprobity     1  True   
 59   59  m         -91.7     2.6  Favored     5     6  0.51     8  0.67  molprobity     1  True   
 60   60  m-70     -127.8   106.1  Favored     7    11  0.40    16  0.54  molprobity     1  True   
 61   61  Cg_exo    -50.6   -35.7  Favored     7     8  0.40    11  0.26  molprobity     1  True   
 62   62  ?         -72.4   -39.9  Favored     5     5  0.25     7  0.34  molprobity     1  True   
 63   63  t         -69.8   -37.7  Favored     4     6  0.63     8  0.54  molprobity     1  True   
 64   64  ?         -68.3   -33.1  Favored     5     5  0.46     7  0.26  molprobity     1  True   
 65   65  ?         -70.0   -27.9  Favored     5     5  0.52     7  0.33  molprobity     1  True   
 66   66  m-20      -85.8   -22.6  Favored     6     8  0.51    11  0.53  molprobity     1  True   
 67   67  m-80     -131.2    83.9  Favored     6     8  0.81    11  0.45  molprobity     1  True   
 68   68  mp0       -76.7   -21.4  Favored     8     9  0.65    12  0.80  molprobity     1  True   
 69   69  t70       -71.8   -34.7  Favored     4     7  0.16     8  0.68  molprobity     1  True   
 70   70  ?             ?       ?  ?           8    15  1.41    18  0.69  mogul          ?  False  
 71   71  m        -129.4    83.0  Favored     4     5  0.59     5  0.44  molprobity     1  True   
 72   72  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 73   73  ?             ?       ?  ?           5     4  0.49     5  0.62  molprobity     ?  False  
 74   74  ?        -104.9  -111.4  Favored     3     4  0.74     5  0.47  molprobity     ?  False  
 75   75  t         -61.0   -37.7  Favored     4     6  0.51     8  0.45  molprobity     ?  False  
 76   76  m         -74.0    -6.3  Favored     4     6  0.45     8  0.28  molprobity     1  True   
 77   77  m         -96.3     1.5  Favored     5     6  0.64     8  0.54  molprobity     1  True   
 78   78  m-70     -124.7   109.2  Favored     7    11  0.47    16  0.59  molprobity     1  True   
 79   79  Cg_exo    -48.7   -42.4  Favored     7     8  0.30    11  0.29  molprobity     1  True   
 80   80  ?         -64.1   -37.5  Favored     5     5  0.26     7  0.34  molprobity     1  True   
 81   81  t         -78.8   -42.4  Favored     4     6  0.50     8  0.42  molprobity     1  True   
 82   82  ?         -61.0   -40.2  Favored     5     5  0.55     7  0.22  molprobity     1  True   
 83   83  ?         -73.1    -9.7  Favored     5     5  0.60     7  0.30  molprobity     1  True   
 84   84  m-20      -98.0   -13.5  Favored     6     8  0.52    11  0.45  molprobity     1  True   
 85   85  m-80     -128.8    89.3  Favored     6     8  0.53    11  0.25  molprobity     1  True   
 86   86  mp0       -79.3   -31.9  Favored     8     9  0.85    12  1.00  molprobity     1  True   
 87   87  t70       -85.4   -24.6  Favored     4     7  0.43     8  0.76  molprobity     1  True   
 88   88  ?             ?       ?  ?           8    15  1.19    18  0.83  mogul          ?  False  
 89   89  m        -134.9    72.7  Allowed     4     5  0.25     5  0.57  molprobity     1  True   
 90   90  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 91   91  ?             ?       ?  ?           5     4  0.93     5  0.74  molprobity     ?  False  
 92   92  ?        -107.7   134.0  Favored     3     4  1.08     5  0.55  molprobity     ?  False  
 93   93  t         -63.2   -31.7  Favored     4     6  0.31     8  0.37  molprobity     ?  False  
 94   94  m         -79.0   -11.1  Favored     4     6  0.41     8  0.36  molprobity     1  True   
 95   95  m         -81.7   -13.0  Favored     5     6  0.69     8  0.52  molprobity     1  True   
 96   96  m-70     -116.7   101.7  Favored     7    11  0.45    16  0.56  molprobity     1  True   
 97   97  Cg_exo    -49.0   -29.4  Favored     7     8  0.52    11  0.34  molprobity     1  True   
 98   98  ?         -70.9   -46.0  Favored     5     5  0.24     7  0.39  molprobity     1  True   
 99   99  t         -67.8   -40.8  Favored     4     6  0.58     8  0.51  molprobity     1  True   
100  100  ?         -62.9   -35.4  Favored     5     5  0.36     7  0.19  molprobity     1  True   
101  101  ?         -70.8   -28.9  Favored     5     5  0.44     7  0.32  molprobity     1  True   
102  102  m-20      -83.5   -23.3  Favored     6     8  0.57    11  0.47  molprobity     1  True   
103  103  m-80     -118.2    85.2  Favored     6     8  0.70    11  0.40  molprobity     1  True   
104  104  mm-40     -78.9   -21.2  Favored     8     9  0.66    12  0.30  molprobity     1  True   
105  105  t70       -79.2   -25.9  Favored     4     7  0.39     8  0.77  molprobity     1  True   
106  106  ?             ?       ?  ?           7    15  1.39    18  0.69  mogul          ?  False  
107  107  m        -128.9    61.0  Allowed     4     5  0.45     5  0.42  molprobity     1  True   
108  108  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
109  109  ?             ?       ?  ?           5     4  0.50     5  0.23  molprobity     ?  False  
110  110  ?          73.8    45.6  Favored     3     4  0.67     5  0.27  molprobity     ?  False  
111  111  t         -75.1   -38.2  Favored     4     6  0.38     8  0.34  molprobity     ?  False  
112  112  m         -74.6   -10.7  Favored     4     6  0.46     8  0.50  molprobity     1  True   
113  113  m         -76.1   -22.4  Favored     5     6  0.79     8  0.80  molprobity     1  True   
114  114  m-70     -112.2   112.0  Favored     7    11  0.48    16  0.50  molprobity     1  True   
115  115  Cg_exo    -52.4   -37.7  Favored     7     8  0.27    11  0.34  molprobity     1  True   
116  116  ?         -63.6   -40.7  Favored     5     5  0.42     7  0.22  molprobity     1  True   
117  117  t         -73.7   -41.8  Favored     4     6  0.63     8  0.56  molprobity     1  True   
118  118  ?         -62.6   -39.8  Favored     5     5  0.29     7  0.24  molprobity     1  True   
119  119  ?         -67.3   -25.8  Favored     5     5  0.37     7  0.28  molprobity     1  True   
120  120  m-80      -98.2    -9.0  Favored     6     8  0.59    11  0.35  molprobity     1  True   
121  121  m-80     -132.4    70.5  Allowed     6     8  0.96    11  0.75  molprobity     1  True   
122  122  mt-30     -81.9   -11.1  Favored     8     9  0.53    12  0.38  molprobity     1  True   
123  123  m-20      -83.4   -14.6  Favored     4     7  0.19     8  0.87  molprobity     1  True   
124  124  ?             ?       ?  ?           7    15  1.59    18  0.74  mogul          ?  False  
125  125  m        -124.5    82.5  Favored     4     5  0.52     5  0.56  molprobity     1  True   
126  126  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
127  127  ?             ?       ?  ?           5     4  0.69     5  0.60  molprobity     ?  False  
128  128  ?          73.0    39.9  Favored     3     4  0.87     5  0.49  molprobity     ?  False  
129  129  t         -65.0   -29.3  Favored     4     6  0.35     8  0.37  molprobity     ?  False  
130  130  m         -81.9   -18.6  Favored     4     6  0.40     8  0.41  molprobity     1  True   
131  131  m         -74.8   -19.0  Favored     5     6  0.54     8  0.64  molprobity     1  True   
132  132  m-70     -113.8   113.2  Favored     7    11  0.46    16  0.57  molprobity     1  True   
133  133  Cg_exo    -47.6   -46.8  Favored     7     8  0.50    11  0.43  molprobity     1  True   
134  134  ?         -68.6   -36.5  Favored     5     5  0.45     7  0.38  molprobity     1  True   
135  135  t         -68.3   -44.7  Favored     4     6  0.50     8  0.52  molprobity     1  True   
136  136  ?         -62.6   -35.5  Favored     5     5  0.36     7  0.23  molprobity     1  True   
137  137  ?         -63.0   -33.6  Favored     5     5  0.43     7  0.33  molprobity     1  True   
138  138  m-80      -97.8     3.5  Favored     6     8  0.52    11  0.32  molprobity     1  True   
139  139  m-80     -136.0    76.7  Allowed     6     8  0.87    11  0.66  molprobity     1  True   
140  140  mm-40     -76.9   -21.0  Favored     8     9  0.60    12  0.31  molprobity     1  True   
141  141  m-20      -88.1   -23.8  Favored     4     7  0.73     8  0.57  molprobity     1  True   
142  142  ?             ?       ?  ?           8    15  1.56    18  0.64  mogul          ?  False  
143  143  m        -118.1   -83.0  Allowed     4     5  0.38     5  0.28  molprobity     1  True   
144  144  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
145  145  ?             ?       ?  ?           5     4  0.87     5  0.55  molprobity     ?  False  
146  146  ?          91.8  -173.8  Favored     3     4  1.05     5  0.36  molprobity     ?  False  
147  147  t         -68.6   -20.0  Favored     4     6  0.39     8  0.26  molprobity     ?  False  
148  148  m         -73.5    -9.2  Favored     4     6  0.41     8  0.30  molprobity     1  True   
149  149  m         -85.6    -3.7  Favored     5     6  0.63     8  0.47  molprobity     1  True   
150  150  m-70     -109.8   105.2  Favored     7    11  0.47    16  0.59  molprobity     1  True   
151  151  Cg_exo    -49.9   -36.4  Favored     7     8  0.41    11  0.32  molprobity     1  True   
152  152  ?         -65.3   -42.6  Favored     5     5  0.39     7  0.47  molprobity     1  True   
153  153  t         -68.2   -42.9  Favored     4     6  0.56     8  0.48  molprobity     1  True   
154  154  ?         -68.4   -29.7  Favored     5     5  0.55     7  0.37  molprobity     1  True   
155  155  ?         -70.6   -34.5  Favored     5     5  0.51     7  0.38  molprobity     1  True   
156  156  m-20      -89.7   -11.8  Favored     6     8  0.57    11  0.24  molprobity     1  True   
157  157  m-80     -133.7    82.0  Allowed     6     8  0.68    11  0.51  molprobity     1  True   
158  158  mm-40     -79.3   -20.8  Favored     8     9  0.63    12  0.62  molprobity     1  True   
159  159  p-10      -73.3   -30.4  Favored     4     7  0.23     8  0.74  molprobity     1  True   
160  160  ?             ?       ?  ?           7    15  1.52    18  0.68  mogul          ?  False  
161  161  m        -131.2    79.7  Allowed     4     5  0.50     5  0.57  molprobity     1  True   
162  162  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
163  163  ?             ?       ?  ?           5     4  0.59     5  0.41  molprobity     ?  False  
164  164  ?        -161.1   138.7  Favored     3     4  1.27     5  0.51  molprobity     ?  False  
165  165  t         -70.9   -32.5  Favored     4     6  0.46     8  0.36  molprobity     ?  False  
166  166  m         -82.0   -13.0  Favored     4     6  0.49     8  0.45  molprobity     1  True   
167  167  m         -83.2    -8.2  Favored     5     6  0.57     8  0.66  molprobity     1  True   
168  168  m-70     -123.3   109.5  Favored     7    11  0.44    16  0.52  molprobity     1  True   
169  169  Cg_exo    -50.2   -36.7  Favored     7     8  0.29    11  0.26  molprobity     1  True   
170  170  ?         -69.3   -35.2  Favored     5     5  0.37     7  0.42  molprobity     1  True   
171  171  t         -74.8   -42.1  Favored     4     6  0.51     8  0.54  molprobity     1  True   
172  172  ?         -60.9   -42.8  Favored     5     5  0.20     7  0.29  molprobity     1  True   
173  173  ?         -60.8   -37.7  Favored     5     5  0.50     7  0.35  molprobity     1  True   
174  174  m-80      -88.8    -6.3  Favored     6     8  0.56    11  0.33  molprobity     1  True   
175  175  m-80     -135.1    74.0  Allowed     6     8  0.86    11  0.65  molprobity     1  True   
176  176  mm-40     -72.7   -20.5  Favored     8     9  0.69    12  0.36  molprobity     1  True   
177  177  m-20      -85.8   -18.9  Favored     4     7  0.56     8  0.68  molprobity     1  True   
178  178  ?             ?       ?  ?           7    15  1.49    18  0.65  mogul          ?  False  
179  179  m        -134.5    83.8  Favored     4     5  0.47     5  0.66  molprobity     1  True   
180  180  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
181  181  ?             ?       ?  ?           5     4  0.80     5  0.71  molprobity     ?  False  
182  182  ?         153.3   -60.2  Allowed     3     4  1.14     5  0.22  molprobity     ?  False  
183  183  t         -66.5   -42.2  Favored     4     6  0.35     8  0.49  molprobity     ?  False  
184  184  m         -77.1    -8.7  Favored     4     6  0.44     8  0.45  molprobity     1  True   
185  185  m         -86.5   -10.9  Favored     5     6  0.63     8  0.44  molprobity     1  True   
186  186  m-70     -115.6   114.7  Favored     7    11  0.41    16  0.58  molprobity     1  True   
187  187  Cg_exo    -47.6   -43.7  Favored     7     8  0.43    11  0.37  molprobity     1  True   
188  188  ?         -71.3   -39.9  Favored     5     5  0.29     7  0.42  molprobity     1  True   
189  189  t         -66.6   -42.4  Favored     4     6  0.64     8  0.54  molprobity     1  True   
190  190  ?         -62.6   -42.2  Favored     5     5  0.37     7  0.26  molprobity     1  True   
191  191  ?         -63.5   -32.5  Favored     5     5  0.41     7  0.28  molprobity     1  True   
192  192  m-80      -89.5    -8.9  Favored     6     8  0.49    11  0.35  molprobity     1  True   
193  193  m-80     -131.6    75.7  Allowed     6     8  0.85    11  0.59  molprobity     1  True   
194  194  mm-40     -78.2   -12.1  Favored     8     9  0.70    12  0.56  molprobity     1  True   
195  195  p-10      -84.7   -26.8  Favored     4     7  0.33     8  0.72  molprobity     1  True   
196  196  ?             ?       ?  ?           7    15  1.44    18  0.69  mogul          ?  False  
197  197  m        -127.7    71.2  Allowed     4     5  0.54     5  0.61  molprobity     1  True   
198  198  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
199  199  ?             ?       ?  ?           5     4  0.83     5  0.47  molprobity     ?  False  
200  200  ?         144.6    53.9  OUTLIER     3     4  1.03     5  0.62  molprobity     ?  False  
201  201  t         -75.2   -19.9  Favored     4     6  0.54     8  0.23  molprobity     ?  False  
202  202  m         -69.1   -16.4  Favored     4     6  0.28     8  0.42  molprobity     1  True   
203  203  m         -77.0    -6.2  Favored     5     6  0.44     8  0.40  molprobity     1  True   
204  204  m-70     -105.4   106.5  Favored     7    11  0.48    16  0.66  molprobity     1  True   
205  205  Cg_exo    -52.5   -35.9  Favored     7     8  0.37    11  0.31  molprobity     1  True   
206  206  ?         -67.3   -45.2  Favored     5     5  0.32     7  0.44  molprobity     1  True   
207  207  t         -63.2   -44.3  Favored     4     6  0.56     8  0.49  molprobity     1  True   
208  208  ?         -66.5   -33.7  Favored     5     5  0.50     7  0.22  molprobity     1  True   
209  209  ?         -68.8   -32.2  Favored     5     5  0.44     7  0.38  molprobity     1  True   
210  210  m-20      -88.6   -23.4  Favored     6     8  0.51    11  0.26  molprobity     1  True   
211  211  m-80     -126.2    77.8  Allowed     6     8  0.86    11  0.51  molprobity     1  True   
212  212  mt-30     -82.4   -13.1  Favored     8     9  0.67    12  0.32  molprobity     1  True   
213  213  p-10      -78.0   -28.0  Favored     4     7  0.21     8  0.76  molprobity     1  True   
214  214  ?             ?       ?  ?           7    15  1.74    18  0.64  mogul          ?  False  
215  215  m        -128.3    78.5  Allowed     4     5  0.63     5  0.46  molprobity     1  True   
216  216  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
217  217  ?             ?       ?  ?           5     4  0.73     5  0.67  molprobity     ?  False  
218  218  ?         130.2   -38.7  Allowed     3     4  1.09     5  0.27  molprobity     ?  False  
219  219  t         -59.5   -36.6  Favored     4     6  0.49     8  0.34  molprobity     ?  False  
220  220  m         -69.2   -12.4  Favored     4     6  0.59     8  0.28  molprobity     1  True   
221  221  m         -91.5    -3.3  Favored     5     6  0.42     8  0.28  molprobity     1  True   
222  222  m-70     -116.5   115.9  Favored     7    11  0.44    16  0.60  molprobity     1  True   
223  223  Cg_exo    -45.9   -54.9  Favored     7     8  0.48    11  0.48  molprobity     1  True   
224  224  ?         -64.9   -42.7  Favored     5     5  0.35     7  0.41  molprobity     1  True   
225  225  t         -64.6   -45.6  Favored     4     6  0.55     8  0.32  molprobity     1  True   
226  226  ?         -65.8   -37.2  Favored     5     5  0.22     7  0.28  molprobity     1  True   
227  227  ?         -64.4   -37.3  Favored     5     5  0.39     7  0.29  molprobity     1  True   
228  228  m-20      -81.9   -23.9  Favored     6     8  0.57    11  0.38  molprobity     1  True   
229  229  m-80     -114.8    83.0  Allowed     6     8  0.71    11  0.42  molprobity     1  True   
230  230  mm-40     -80.4   -22.1  Favored     8     9  0.52    12  0.34  molprobity     1  True   
231  231  OUTLIER   -80.7   -21.8  Favored     4     7  0.36     8  0.90  molprobity     1  True   
232  232  ?             ?       ?  ?           7    15  1.72    18  0.68  mogul          ?  False  
233  233  m        -135.3    75.2  Allowed     4     5  0.55     5  0.59  molprobity     1  True   
234  234  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
235  235  ?             ?       ?  ?           5     4  0.82     5  0.53  molprobity     ?  False  
236  236  ?         113.0    35.3  Allowed     3     4  0.81     5  0.32  molprobity     ?  False  
237  237  t         -70.0   -34.1  Favored     4     6  0.36     8  0.33  molprobity     ?  False  
238  238  m         -85.2    -1.2  Favored     4     6  0.51     8  0.42  molprobity     1  True   
239  239  m         -90.2   -13.3  Favored     5     6  0.70     8  0.76  molprobity     1  True   
240  240  m-70     -122.6   108.3  Favored     7    11  0.42    16  0.50  molprobity     1  True   
241  241  Cg_exo    -51.0   -34.7  Favored     7     8  0.36    11  0.32  molprobity     1  True   
242  242  ?         -67.8   -34.7  Favored     5     5  0.32     7  0.34  molprobity     1  True   
243  243  t         -78.1   -40.0  Favored     4     6  0.67     8  0.62  molprobity     1  True   
244  244  ?         -62.2   -36.4  Favored     5     5  0.28     7  0.32  molprobity     1  True   
245  245  ?         -62.8   -35.0  Favored     5     5  0.41     7  0.31  molprobity     1  True   
246  246  m-20      -94.8    -1.1  Favored     6     8  0.62    11  0.30  molprobity     1  True   
247  247  m-80     -136.7    77.3  Allowed     6     8  0.92    11  0.62  molprobity     1  True   
248  248  mt-30     -82.3   -15.6  Favored     8     9  0.52    12  0.46  molprobity     1  True   
249  249  t70       -81.8   -33.0  Favored     4     7  0.35     8  0.75  molprobity     1  True   
250  250  ?             ?       ?  ?           8    15  1.53    18  0.66  mogul          ?  False  
251  251  m        -129.8    75.3  Allowed     4     5  0.43     5  0.52  molprobity     1  True   
252  252  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
253  253  ?             ?       ?  ?           5     4  0.62     5  0.54  molprobity     ?  False  
254  254  ?        -167.3   -45.4  OUTLIER     3     4  1.02     5  0.32  molprobity     ?  False  
255  255  t         -57.7   -38.9  Favored     4     6  0.40     8  0.40  molprobity     ?  False  
256  256  m         -71.4   -14.3  Favored     4     6  0.35     8  0.27  molprobity     1  True   
257  257  m         -83.7   -12.2  Favored     5     6  0.66     8  0.43  molprobity     1  True   
258  258  m-70     -111.6   107.9  Favored     7    11  0.42    16  0.60  molprobity     1  True   
259  259  Cg_exo    -49.2   -39.2  Favored     7     8  0.43    11  0.30  molprobity     1  True   
260  260  ?         -70.2   -41.9  Favored     5     5  0.27     7  0.44  molprobity     1  True   
261  261  t         -67.9   -41.9  Favored     4     6  0.64     8  0.52  molprobity     1  True   
262  262  ?         -60.0   -44.1  Favored     5     5  0.38     7  0.25  molprobity     1  True   
263  263  ?         -68.4    -6.9  Favored     5     5  0.67     7  0.32  molprobity     1  True   
264  264  m-80     -112.7     0.9  Favored     6     8  0.55    11  0.38  molprobity     1  True   
265  265  m-80     -137.7    86.7  Favored     6     8  0.81    11  0.44  molprobity     1  True   
266  266  mp0       -82.0   -24.3  Favored     8     9  0.67    12  0.78  molprobity     1  True   
267  267  t70       -79.2   -29.6  Favored     4     7  0.34     8  0.56  molprobity     1  True   
268  268  ?             ?       ?  ?           7    15  1.53    18  0.69  mogul          ?  False  
269  269  m        -131.7    80.5  Allowed     4     5  0.54     5  0.52  molprobity     1  True   
270  270  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
271  271  ?             ?       ?  ?           5     4  0.63     5  0.42  molprobity     ?  False  
272  272  ?        -158.3    63.9  Allowed     3     4  1.00     5  0.59  molprobity     ?  False  
273  273  t         -65.0   -40.5  Favored     4     6  0.63     8  0.34  molprobity     ?  False  
274  274  m         -77.9   -11.7  Favored     4     6  0.39     8  0.40  molprobity     1  True   
275  275  m         -78.8   -14.1  Favored     5     6  0.59     8  0.43  molprobity     1  True   
276  276  m-70     -111.9   111.3  Favored     7    11  0.49    16  0.61  molprobity     1  True   
277  277  Cg_exo    -47.7   -37.1  Favored     7     8  0.42    11  0.29  molprobity     1  True   
278  278  ?         -67.6   -44.7  Favored     5     5  0.29     7  0.25  molprobity     1  True   
279  279  t         -69.3   -36.6  Favored     4     6  0.73     8  0.53  molprobity     1  True   
280  280  ?         -66.6   -40.9  Favored     5     5  0.39     7  0.17  molprobity     1  True   
281  281  ?         -65.2   -40.9  Favored     5     5  0.51     7  0.32  molprobity     1  True   
282  282  m-20      -78.9   -22.3  Favored     6     8  0.68    11  0.37  molprobity     1  True   
283  283  m-80     -116.6    85.4  Favored     6     8  0.75    11  0.52  molprobity     1  True   
284  284  mm-40     -79.5   -18.4  Favored     8     9  0.56    12  0.35  molprobity     1  True   
285  285  m-20      -89.4   -32.5  Favored     4     7  0.39     8  0.79  molprobity     1  True   
286  286  ?             ?       ?  ?           8    15  1.35    18  0.85  mogul          ?  False  
287  287  m        -116.0   -85.2  Allowed     4     5  0.58     5  0.24  molprobity     1  True   
288  288  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
289  289  ?             ?       ?  ?           5     4  0.63     5  0.51  molprobity     ?  False  
290  290  ?         115.3    41.3  Allowed     3     4  0.82     5  0.38  molprobity     ?  False  
291  291  t         -65.7   -35.4  Favored     4     6  0.42     8  0.40  molprobity     ?  False  
292  292  m         -77.0   -10.9  Favored     4     6  0.52     8  0.45  molprobity     1  True   
293  293  m         -85.2    -3.0  Favored     5     6  0.59     8  0.42  molprobity     1  True   
294  294  m-70     -126.2   112.9  Favored     7    11  0.45    16  0.60  molprobity     1  True   
295  295  Cg_exo    -48.3   -42.0  Favored     7     8  0.33    11  0.32  molprobity     1  True   
296  296  ?         -66.7   -41.1  Favored     5     5  0.38     7  0.33  molprobity     1  True   
297  297  t         -71.5   -43.8  Favored     4     6  0.56     8  0.55  molprobity     1  True   
298  298  ?         -63.4   -43.3  Favored     5     5  0.39     7  0.25  molprobity     1  True   
299  299  ?         -65.2   -30.1  Favored     5     5  0.43     7  0.37  molprobity     1  True   
300  300  m-80      -90.3    -8.0  Favored     6     8  0.55    11  0.37  molprobity     1  True   
301  301  m-80     -128.1    83.2  Favored     6     8  0.81    11  0.44  molprobity     1  True   
302  302  mm-40     -79.3   -12.8  Favored     8     9  0.56    12  0.27  molprobity     1  True   
303  303  m-20      -86.4   -25.3  Favored     4     7  0.57     8  0.93  molprobity     1  True   
304  304  ?             ?       ?  ?           7    15  1.39    18  0.82  mogul          ?  False  
305  305  m        -138.6    86.8  Favored     4     5  0.79     5  0.71  molprobity     1  True   
306  306  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
307  307  ?             ?       ?  ?           5     4  0.62     5  0.73  molprobity     ?  False  
308  308  ?        -147.8    71.8  Allowed     3     4  0.95     5  0.37  molprobity     ?  False  
309  309  t         -62.7   -35.5  Favored     4     6  0.41     8  0.39  molprobity     ?  False  
310  310  m         -77.0    -8.0  Favored     4     6  0.35     8  0.32  molprobity     1  True   
311  311  t         -81.6   -12.4  Favored     5     6  0.74     8  0.64  molprobity     1  True   
312  312  m-70     -114.6   102.5  Favored     7    11  0.42    16  0.59  molprobity     1  True   
313  313  Cg_exo    -47.1   -35.3  Favored     7     8  0.54    11  0.33  molprobity     1  True   
314  314  ?         -69.6   -41.6  Favored     5     5  0.44     7  0.31  molprobity     1  True   
315  315  t         -69.3   -39.0  Favored     4     6  0.46     8  0.52  molprobity     1  True   
316  316  ?         -62.6   -35.1  Favored     5     5  0.29     7  0.20  molprobity     1  True   
317  317  ?         -66.0   -31.0  Favored     5     5  0.51     7  0.34  molprobity     1  True   
318  318  m-80      -89.9    -6.8  Favored     6     8  0.55    11  0.32  molprobity     1  True   
319  319  m-80     -132.6    83.3  Favored     6     8  0.78    11  0.49  molprobity     1  True   
320  320  mm-40     -79.4   -25.8  Favored     8     9  0.52    12  0.29  molprobity     1  True   
321  321  m-20      -85.2   -28.9  Favored     4     7  0.35     8  0.93  molprobity     1  True   
322  322  ?             ?       ?  ?           8    15  1.47    18  0.80  mogul          ?  False  
323  323  m        -122.1   -78.0  Allowed     4     5  0.43     5  0.27  molprobity     1  True   
324  324  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
325  325  ?             ?       ?  ?           5     4  0.52     5  0.40  molprobity     ?  False  
326  326  ?         151.9   -48.3  Allowed     3     4  0.82     5  0.54  molprobity     ?  False  
327  327  t         -58.0   -40.8  Favored     4     6  0.47     8  0.33  molprobity     ?  False  
328  328  m         -72.6    -9.4  Favored     4     6  0.47     8  0.22  molprobity     1  True   
329  329  m         -91.0   -12.4  Favored     5     6  0.41     8  0.37  molprobity     1  True   
330  330  m-70     -100.8   113.2  Favored     7    11  0.36    16  0.60  molprobity     1  True   
331  331  Cg_exo    -50.1   -41.1  Favored     7     8  0.27    11  0.27  molprobity     1  True   
332  332  ?         -69.1   -48.8  Favored     5     5  0.31     7  0.32  molprobity     1  True   
333  333  t         -64.3   -39.6  Favored     4     6  0.53     8  0.28  molprobity     1  True   
334  334  ?         -68.4   -38.5  Favored     5     5  0.25     7  0.23  molprobity     1  True   
335  335  ?         -66.0   -34.0  Favored     5     5  0.51     7  0.48  molprobity     1  True   
336  336  m-20      -78.6   -23.2  Favored     6     8  0.62    11  0.29  molprobity     1  True   
337  337  m-80     -122.3    83.2  Favored     6     8  0.87    11  0.43  molprobity     1  True   
338  338  mm-40     -81.9   -20.8  Favored     8     9  0.79    12  0.28  molprobity     1  True   
339  339  m-20      -86.5   -26.3  Favored     4     7  0.74     8  0.66  molprobity     1  True   
340  340  ?             ?       ?  ?           7    15  1.92    18  0.64  mogul          ?  False  
341  341  m        -124.6    57.3  Allowed     4     5  0.47     5  0.44  molprobity     1  True   
342  342  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
343  343  ?             ?       ?  ?           5     4  0.47     5  0.41  molprobity     ?  False  
344  344  ?          82.5    27.2  Favored     3     4  0.47     5  0.28  molprobity     ?  False  
345  345  t         -57.9   -32.1  Favored     4     6  0.46     8  0.39  molprobity     ?  False  
346  346  m         -74.3   -15.6  Favored     4     6  0.34     8  0.31  molprobity     1  True   
347  347  m         -90.0   -11.4  Favored     5     6  0.60     8  0.53  molprobity     1  True   
348  348  m-70     -105.1   108.8  Favored     7    11  0.53    16  0.57  molprobity     1  True   
349  349  Cg_exo    -48.5   -41.0  Favored     7     8  0.59    11  0.43  molprobity     1  True   
350  350  ?         -72.1   -34.0  Favored     5     5  0.53     7  0.35  molprobity     1  True   
351  351  t         -75.8   -42.0  Favored     4     6  0.49     8  0.46  molprobity     1  True   
352  352  ?         -63.6   -35.0  Favored     5     5  0.23     7  0.28  molprobity     1  True   
353  353  ?         -64.0   -35.2  Favored     5     5  0.47     7  0.23  molprobity     1  True   
354  354  m-80      -88.1   -23.5  Favored     6     8  0.68    11  0.34  molprobity     1  True   
355  355  m-80     -111.3    84.4  Allowed     6     8  0.75    11  0.65  molprobity     1  True   
356  356  mm-40     -81.3   -32.3  Favored     8     9  0.63    12  0.45  molprobity     1  True   
357  357  p30       -82.3   -23.1  Favored     4     7  0.48     8  1.03  molprobity     1  True   
358  358  ?             ?       ?  ?           8    15  1.56    18  0.79  mogul          ?  False  
359  359  m        -114.0   -87.9  Allowed     4     5  0.42     5  0.40  molprobity     1  True   
360  360  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   52  HD1   1  0.43  2.53  
 2   53  SG    1  0.43  2.53  
 3   70  HD2   2  0.57  2.39  
 4   71  SG    2  0.57  2.39  
 5   85  HB3   3  0.42  1.91  
 6   88  HD1   4  0.50  2.46  
 7   88  HB2   3  0.42  1.91  
 8   89  SG    4  0.50  2.46  
 9  106  HD1   5  0.45  2.52  
10  107  SG    5  0.45  2.52  
11  124  HD2   6  0.59  2.38  
12  125  SG    6  0.59  2.38  
13  142  HD1   7  0.42  2.55  
14  143  SG    7  0.42  2.55  
15  160  HD2   8  0.49  2.48  
16  161  SG    8  0.49  2.48  
17  178  HD1   9  0.55  2.42  
18  179  SG    9  0.55  2.42  
19  196  HD1  10  0.59  2.38  
20  197  SG   10  0.59  2.38  
21  214  HD1  11  0.43  2.52  
22  215  SG   11  0.43  2.52  
23  232  HD2  12  0.47  2.49  
24  233  SG   12  0.47  2.49  
25  250  HD2  13  0.45  2.51  
26  251  SG   13  0.45  2.51  
27  268  HD2  14  0.44  2.51  
28  269  SG   14  0.44  2.51  
29  304  HD2  15  0.44  2.52  
30  305  SG   15  0.44  2.52  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
 1   16  OH  S   1.51  1.58   38  0.02  -4.45  0.03  
 2   34  OH  S   1.50  1.58   38  0.02  -5.22  0.04  
 3   52  OH  S   1.51  1.58   38  0.02  -4.76  0.04  
 4   70  OH  S   1.51  1.58   38  0.02  -4.48  0.03  
 5   88  OH  S   1.52  1.58   38  0.02  -3.94  0.02  
 6  106  OH  CZ  1.39  1.42  380  0.02  -2.09  0.00  
 7  106  OH  S   1.51  1.58   38  0.02  -4.33  0.03  
 8  124  OH  S   1.50  1.58   38  0.02  -5.13  0.04  
 9  142  OH  S   1.50  1.58   38  0.02  -5.02  0.04  
10  160  OH  S   1.50  1.58   38  0.02  -4.98  0.04  
11  178  OH  CZ  1.39  1.42  380  0.02  -2.03  0.00  
12  178  OH  S   1.51  1.58   38  0.02  -4.67  0.03  
13  196  OH  S   1.51  1.58   38  0.02  -4.58  0.03  
14  214  OH  CZ  1.38  1.42  380  0.02  -2.69  0.00  
15  214  OH  S   1.49  1.58   38  0.02  -5.53  0.05  
16  232  OH  CZ  1.37  1.42  380  0.02  -2.88  0.01  
17  232  OH  S   1.50  1.58   38  0.02  -5.28  0.04  
18  250  OH  S   1.50  1.58   38  0.02  -4.92  0.04  
19  268  OH  S   1.51  1.58   38  0.02  -4.73  0.03  
20  286  OH  CZ  1.39  1.42  380  0.02  -2.17  0.00  
21  286  OH  S   1.52  1.58   38  0.02  -3.88  0.02  
22  304  OH  CZ  1.39  1.42  380  0.02  -2.00  0.00  
23  304  OH  S   1.52  1.58   38  0.02  -4.14  0.03  
24  322  OH  CZ  1.38  1.42  380  0.02  -2.52  0.00  
25  322  OH  S   1.51  1.58   38  0.02  -4.38  0.03  
26  340  OH  CZ  1.37  1.42  380  0.02  -3.24  0.01  
27  340  OH  S   1.49  1.58   38  0.02  -5.49  0.05  
28  358  OH  CZ  1.38  1.42  380  0.02  -2.28  0.00  
29  358  OH  S   1.50  1.58   38  0.02  -4.86  0.04  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1   16  O3  S  OH  111.66  105.83  21  2.41  2.42  0.84  
2   88  O3  S  OH  110.66  105.83  21  2.41  2.01  0.16  
3  268  O3  S  OH  111.07  105.83  21  2.41  2.17  0.25  
4  286  O3  S  OH  112.84  105.83  21  2.41  2.91  2.03  
5  304  O3  S  OH  112.49  105.83  21  2.41  2.77  1.68  
6  322  O3  S  OH  111.84  105.83  21  2.41  2.50  1.02  
7  358  O3  S  OH  112.27  105.83  21  2.41  2.67  1.45  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1   52  CE1  CZ  OH  S    43.95  49.47  52  21.54  11.89  0.00  
2   52  CE2  CZ  OH  S  -136.83  46.37  52  21.81   8.26  3.85  
3   88  CE1  CZ  OH  S    15.57  76.76  52  23.40  12.18  0.00  
4   88  CE2  CZ  OH  S  -165.44  73.89  52  23.57  10.83  0.00  
5  196  CE1  CZ  OH  S   -47.13  46.41  52  21.49   8.71  3.85  
6  196  CE2  CZ  OH  S   133.80  43.46  52  21.78   5.23  3.85  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  4  ?     
 2  1  ?     
 3  4  True  
 4  1  ?     
 5  1  ?     
 6  1  ?     
 7  1  ?     
 8  2  ?     
 9  1  ?     
10  1  True  
11  1  ?     
12  1  ?     
13  3  ?     
14  1  ?     
15  1  ?     
16  1  ?     
17  3  True  
18  1  ?     
19  1  ?     
20  2  True  
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      1
_pdbx_vrpt_cyrange_domain.number_of_residues  13
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.180
_pdbx_vrpt_cyrange_domain.medoid_model        10
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.225
_pdbx_vrpt_cyrange_domain.residue_string      "A:4-A:15, A:17-A:17"
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           3
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        CX0016.str
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           133
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           133
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            133
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  GLY   1  0.146  
 2  A  GLY   2  0.121  
 3  A  CYS   3  0.089  
 4  A  CYS   4  0.057  
 5  A  SER   5  0.047  
 6  A  HIS   6  0.038  
 7  A  PRO   7  0.036  
 8  A  ALA   8  0.033  
 9  A  CYS   9  0.035  
10  A  ALA  10  0.034  
11  A  ALA  11  0.035  
12  A  ASN  12  0.034  
13  A  ASN  13  0.033  
14  A  GLN  14  0.029  
15  A  ASP  15  0.033  
16  A  CYS  17  0.045  
#
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  0.00  0.00  14  
3  CB  0.50  0.00  0.00  14  
4  N   0.50  0.00  0.00  14  
#
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  107  27  134  overall    Total  
 2   48  15   63  backbone   Total  
 3   57   7   64  sidechain  Total  
 4    2   5    7  aromatic   Total  
 5   68   2   70  overall    H      
 6   25   0   25  backbone   H      
 7   41   0   41  sidechain  H      
 8    2   2    4  aromatic   H      
 9   27  21   48  overall    C      
10   11  15   26  backbone   C      
11   16   4   20  sidechain  C      
12    0   2    2  aromatic   C      
13   12   4   16  overall    N      
14   12   0   12  backbone   N      
15    0   3    3  sidechain  N      
16    0   1    1  aromatic   N      
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1  121  33  154  overall    Total  
 2   59  21   80  backbone   Total  
 3   60   7   67  sidechain  Total  
 4    2   5    7  aromatic   Total  
 5   76   4   80  overall    H      
 6   31   2   33  backbone   H      
 7   43   0   43  sidechain  H      
 8    2   2    4  aromatic   H      
 9   31  24   55  overall    C      
10   14  18   32  backbone   C      
11   17   4   21  sidechain  C      
12    0   2    2  aromatic   C      
13   14   5   19  overall    N      
14   14   1   15  backbone   N      
15    0   3    3  sidechain  N      
16    0   1    1  aromatic   N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     158  
 2  "Intra-residue (|i-j|=0)"                        33  
 3  "Sequential (|i-j|=1)"                           65  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             49  
 5  "Long range (|i-j|>=5)"                          11  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                30  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             10.4  
12  "Number of long range restraints per residue"   0.6  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  33   20.9  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    25   15.8  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain    8    5.1  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  65   41.1  1  0.6  1.5  2  1.3  3.1  
 6  Sequential     BackboneBackbone     13    8.2  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    38   24.1  1  0.6  2.6  2  1.3  5.3  
 8  Sequential     SidechainSidechain   14    8.9  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  49   31.0  0  0.0  0.0  2  1.3  4.1  
10  MediumRange    BackboneBackbone     10    6.3  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    27   17.1  0  0.0  0.0  1  0.6  3.7  
12  MediumRange    SidechainSidechain   12    7.6  0  0.0  0.0  1  0.6  8.3  
13  LongRange      all                  11    7.0  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain     7    4.4  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain    4    2.5  0  0.0  0.0  0  0.0  0.0  
17  InterChain     all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
21  HydrogenBond   all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
23  Total          all                 158  100.0  1  0.6  0.6  4  2.5  2.5  
24  Total          BackboneBackbone     23   14.6  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain    97   61.4  1  0.6  1.0  3  1.9  3.1  
26  Total          SidechainSidechain   38   24.1  0  0.0  0.0  1  0.6  2.6  
#
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  0.60  0.60  0.60  0.00  
 2   2  0.62  0.37  0.37  0.25  
 3   3  0.58  0.58  0.58  0.00  
 4   4  0.64  0.64  0.64  0.00  
 5   5  0.59  0.59  0.59  0.00  
 6   6  0.61  0.61  0.61  0.00  
 7   7  0.65  0.42  0.42  0.23  
 8   8  0.62  0.62  0.62  0.00  
 9   9  0.60  0.60  0.60  0.00  
10  10  0.58  0.58  0.58  0.00  
11  11  0.62  0.62  0.62  0.00  
12  12  0.63  0.63  0.63  0.00  
13  13  0.57  0.57  0.57  0.00  
14  14  0.61  0.61  0.61  0.00  
15  15  0.61  0.61  0.61  0.00  
16  16  0.62  0.62  0.62  0.00  
17  17  0.57  0.57  0.57  0.00  
18  18  0.59  0.36  0.36  0.23  
19  19  0.63  0.36  0.36  0.26  
20  20  0.65  0.65  0.65  0.00  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    1  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         1  
  7   2  intraresidue  0  
  8   2  sequential    2  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         2  
 13   3  intraresidue  0  
 14   3  sequential    1  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         1  
 19   4  intraresidue  0  
 20   4  sequential    1  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         1  
 25   5  intraresidue  0  
 26   5  sequential    1  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         1  
 31   6  intraresidue  0  
 32   6  sequential    1  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         1  
 37   7  intraresidue  0  
 38   7  sequential    1  
 39   7  medium        1  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         2  
 43   8  intraresidue  0  
 44   8  sequential    1  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         1  
 49   9  intraresidue  0  
 50   9  sequential    1  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         1  
 55  10  intraresidue  0  
 56  10  sequential    1  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         1  
 61  11  intraresidue  0  
 62  11  sequential    1  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         1  
 67  12  intraresidue  0  
 68  12  sequential    1  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         1  
 73  13  intraresidue  0  
 74  13  sequential    1  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         1  
 79  14  intraresidue  0  
 80  14  sequential    1  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  0  
 86  15  sequential    1  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         1  
 91  16  intraresidue  0  
 92  16  sequential    1  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         1  
 97  17  intraresidue  0  
 98  17  sequential    1  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         1  
103  18  intraresidue  0  
104  18  sequential    1  
105  18  medium        1  
106  18  long          0  
107  18  interchain    0  
108  18  total         2  
109  19  intraresidue  0  
110  19  sequential    1  
111  19  medium        1  
112  19  long          0  
113  19  interchain    0  
114  19  total         2  
115  20  intraresidue  0  
116  20  sequential    1  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         1  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  0  
  2   1  sequential    1  
  3   1  medium        1  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         2  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        1  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    1  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         1  
#
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   0.1   
2  0.2-0.5  None  None  
3  >0.5     0.7   1.0   
#
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  158  1  .  A  16  TYS  ?     1  A  16  HB3  A  .  17  CYS  17  A  1  ?     H    20  0.61  0.61  0.02  
2   80  1  .  A  14  GLN  ?     1  A  14  HB3  A  .  18  NH2  18  A  1  ?     HN1   2  0.15  0.15  0.04  
#
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  158  1  124  125  HB3  H    0.65  
 2  158  1  358  359  HB3  H    0.65  
 3  158  1   70   71  HB3  H    0.64  
 4  158  1  214  215  HB3  H    0.63  
 5  158  1  340  341  HB3  H    0.63  
 6  158  1   34   35  HB3  H    0.62  
 7  158  1  142  143  HB3  H    0.62  
 8  158  1  196  197  HB3  H    0.62  
 9  158  1  286  287  HB3  H    0.62  
10  158  1  106  107  HB3  H    0.61  
11  158  1  250  251  HB3  H    0.61  
12  158  1  268  269  HB3  H    0.61  
13  158  1   16   17  HB3  H    0.60  
14  158  1  160  161  HB3  H    0.60  
15  158  1   88   89  HB3  H    0.59  
16  158  1  322  323  HB3  H    0.59  
17  158  1   52   53  HB3  H    0.58  
18  158  1  178  179  HB3  H    0.58  
19  158  1  232  233  HB3  H    0.57  
20  158  1  304  305  HB3  H    0.57  
21   80  1  122  126  HB3  HN1  0.19  
22   86  1  321  324  HA   HN1  0.13  
23   48  1   33   34  HB2  H    0.12  
24   48  1   33   34  HB3  H    0.12  
25   80  1  338  342  HB3  HN1  0.10  
#
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    10   33.3  0  0.0  0.0  0  0.0  0.0  
2  PSI    11   36.7  0  0.0  0.0  1  3.3  9.1  
3  CHI1    9   30.0  0  0.0  0.0  0  0.0  0.0  
4  Total  30  100.0  0  0.0  0.0  1  3.3  3.3  
#
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  0.00  0.00  0.00  0.00  
 2   2  1.22  1.22  1.22  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  1.52  1.52  1.52  0.00  
 6   6  1.71  1.71  1.71  0.00  
 7   7  1.63  1.63  1.63  0.00  
 8   8  1.30  1.30  1.30  0.00  
 9   9  1.14  1.14  1.14  0.00  
10  10  1.63  1.63  1.63  0.00  
11  11  1.23  1.23  1.23  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  1.74  1.74  1.74  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  1.18  1.18  1.18  0.00  
16  16  1.90  1.90  1.90  0.00  
17  17  1.32  1.32  1.32  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  1.84  1.84  1.84  0.00  
20  20  1.86  1.86  1.86  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI    0  
 2   1  PSI    0  
 3   1  CHI1   0  
 4   1  Total  0  
 5   2  PHI    0  
 6   2  PSI    1  
 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    1  
19   5  CHI1   0  
20   5  Total  1  
21   6  PHI    0  
22   6  PSI    1  
23   6  CHI1   0  
24   6  Total  1  
25   7  PHI    0  
26   7  PSI    1  
27   7  CHI1   0  
28   7  Total  1  
29   8  PHI    0  
30   8  PSI    1  
31   8  CHI1   0  
32   8  Total  1  
33   9  PHI    0  
34   9  PSI    1  
35   9  CHI1   0  
36   9  Total  1  
37  10  PHI    0  
38  10  PSI    1  
39  10  CHI1   0  
40  10  Total  1  
41  11  PHI    0  
42  11  PSI    1  
43  11  CHI1   0  
44  11  Total  1  
45  12  PHI    0  
46  12  PSI    0  
47  12  CHI1   0  
48  12  Total  0  
49  13  PHI    0  
50  13  PSI    1  
51  13  CHI1   0  
52  13  Total  1  
53  14  PHI    0  
54  14  PSI    0  
55  14  CHI1   0  
56  14  Total  0  
57  15  PHI    0  
58  15  PSI    1  
59  15  CHI1   0  
60  15  Total  1  
61  16  PHI    0  
62  16  PSI    1  
63  16  CHI1   0  
64  16  Total  1  
65  17  PHI    0  
66  17  PSI    1  
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    0  
74  19  PSI    1  
75  19  CHI1   0  
76  19  Total  1  
77  20  PHI    0  
78  20  PSI    1  
79  20  CHI1   0  
80  20  Total  1  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI    0  
 2   1  PSI    0  
 3   1  CHI1   0  
 4   1  Total  0  
 5   2  PHI    0  
 6   2  PSI    0  
 7   2  CHI1   0  
 8   2  Total  0  
 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    0  
23   6  CHI1   0  
24   6  Total  0  
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    0  
35   9  CHI1   0  
36   9  Total  0  
37  10  PHI    0  
38  10  PSI    0  
39  10  CHI1   0  
40  10  Total  0  
41  11  PHI    0  
42  11  PSI    0  
43  11  CHI1   0  
44  11  Total  0  
45  12  PHI    0  
46  12  PSI    0  
47  12  CHI1   0  
48  12  Total  0  
49  13  PHI    0  
50  13  PSI    0  
51  13  CHI1   0  
52  13  Total  0  
53  14  PHI    0  
54  14  PSI    1  
55  14  CHI1   0  
56  14  Total  1  
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    0  
66  17  PSI    0  
67  17  CHI1   0  
68  17  Total  0  
69  18  PHI    0  
70  18  PSI    0  
71  18  CHI1   0  
72  18  Total  0  
73  19  PHI    0  
74  19  PSI    0  
75  19  CHI1   0  
76  19  Total  0  
77  20  PHI    0  
78  20  PSI    0  
79  20  CHI1   0  
80  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   1.9   0.7   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal               1
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id               21
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id              1
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1              16
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1             TYS
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1                 16
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1                N
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2              16
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2             TYS
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2                 16
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2                CA
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3              16
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3             TYS
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3                 16
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3                C
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4              17
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4             CYS
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4                 17
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4                N
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models       14
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation  1.52
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation      1.57
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation    0.27
#
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  21  1  286  286  286  287  N  CA  C  N  1.90  
 2  21  1  358  358  358  359  N  CA  C  N  1.86  
 3  21  1  340  340  340  341  N  CA  C  N  1.84  
 4  21  1  232  232  232  233  N  CA  C  N  1.74  
 5  21  1  106  106  106  107  N  CA  C  N  1.71  
 6  21  1  124  124  124  125  N  CA  C  N  1.63  
 7  21  1  178  178  178  179  N  CA  C  N  1.63  
 8  21  1   88   88   88   89  N  CA  C  N  1.52  
 9  21  1  304  304  304  305  N  CA  C  N  1.32  
10  21  1  142  142  142  143  N  CA  C  N  1.30  
11  21  1  196  196  196  197  N  CA  C  N  1.23  
12  21  1   34   34   34   35  N  CA  C  N  1.22  
13  21  1  268  268  268  269  N  CA  C  N  1.18  
14  21  1  160  160  160  161  N  CA  C  N  1.14  
#
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                  "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  coreclust              2.36                                                                  Y  
4  chemicalshiftanalysis  2.36                                                                  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  
##
