data_7N24

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7N24   
BMRB  30920  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    7N24
_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        2023-11-08:08:18
_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 EpI"
#
_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   93.72  158937  ?     ?     
2  2  1   82.15   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3  100.00  154315  ?     ?     
6  2  3  100.00   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   14.45  
 4  6  3  A   1  1  A   14.45  
 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   14.45  
 8  6  3  A   2  1  A   14.45  
 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   14.45  
20  6  3  A   5  1  A   14.45  
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   14.45  
24  6  3  A   6  1  A   14.45  
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   14.45  
36  6  3  A   9  1  A   14.45  
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  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A   14.45  
48  6  3  A  12  1  A   14.45  
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   14.45  
52  6  3  A  13  1  A   14.45  
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   14.45  
56  6  3  A  14  1  A   14.45  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A   14.45  
60  6  3  A  15  1  A   14.45  
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   14.45  
64  6  3  A  16  1  A   14.45  
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   14.45  
68  6  3  A  17  1  A   14.45  
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   14.45  
72  6  3  A  18  1  A   14.45  
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   14.45  
76  6  3  A  19  1  A   14.45  
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   14.45  
80  6  3  A  20  1  A   14.45  
#
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  0.62  0.57  107  142  
 2   2  1  A  A  0.55  0.56  107  142  
 3   3  1  A  A  0.54  0.57  107  142  
 4   4  1  A  A  0.61  0.61  107  142  
 5   5  1  A  A  0.55  0.58  107  142  
 6   6  1  A  A  0.49  0.57  107  142  
 7   7  1  A  A  0.61  0.62  107  142  
 8   8  1  A  A  0.67  0.66  107  142  
 9   9  1  A  A  0.61  0.62  107  142  
10  10  1  A  A  0.60  0.58  107  142  
11  11  1  A  A  0.58  0.64  107  142  
12  12  1  A  A  0.59  0.59  107  142  
13  13  1  A  A  0.54  0.52  107  142  
14  14  1  A  A  0.60  0.64  107  142  
15  15  1  A  A  0.59  0.54  107  142  
16  16  1  A  A  0.60  0.56  107  142  
17  17  1  A  A  0.61  0.60  107  142  
18  18  1  A  A  0.58  0.57  107  142  
19  19  1  A  A  0.63  0.60  107  142  
20  20  1  A  A  0.58  0.62  107  142  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       5.00
_pdbx_vrpt_summary_geometry.clashscore                                 1.20
_pdbx_vrpt_summary_geometry.clashscore_full_length                     3.87
_pdbx_vrpt_summary_geometry.num_H_reduce                               1920
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2140
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.59
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            2840
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.59
#
_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            13
_pdbx_vrpt_summary_nmr.medoid_model                             6
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              3
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              2
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              80.00
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  78.40
#
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  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
  3   1  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
  4   1  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
  5   1  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
  6   1  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
  7   1  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
  8   1  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
  9   1  1  A   9  ASN  A   9  .  ?        1     ?     ?     ?  ?     
 10   1  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
 11   1  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
 12   1  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 13   1  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
 14   1  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
 15   1  1  A  15  TYS  A  15  .  ?        ?     2     1     ?  Y     
 16   1  1  A  16  CYS  A  16  .  ?        1     ?     ?     ?  ?     
 17   1  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  Y     
 18   2  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 19   2  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
 20   2  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 21   2  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
 22   2  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
 23   2  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
 24   2  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
 25   2  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
 26   2  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
 27   2  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
 28   2  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
 29   2  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 30   2  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
 31   2  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
 32   2  1  A  15  TYS  A  15  .  ?        ?     2     ?     ?  ?     
 33   2  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
 34   2  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
 35   3  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 36   3  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
 37   3  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 38   3  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
 39   3  1  A   5  ASP  A   5  .  ?        1     ?     ?     ?  ?     
 40   3  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
 41   3  1  A   7  ARG  A   7  .  ?        1     ?     ?     ?  ?     
 42   3  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
 43   3  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
 44   3  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
 45   3  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
 46   3  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 47   3  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
 48   3  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
 49   3  1  A  15  TYS  A  15  .  ?        ?     2     1     2  ?     
 50   3  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
 51   3  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
 52   4  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 53   4  1  A   2  CYS  A   2  .  ?        1     ?     ?     ?  ?     
 54   4  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 55   4  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
 56   4  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
 57   4  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
 58   4  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
 59   4  1  A   8  CYS  A   8  .  ?        1     ?     ?     ?  ?     
 60   4  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
 61   4  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
 62   4  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
 63   4  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 64   4  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
 65   4  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
 66   4  1  A  15  TYS  A  15  .  ?        ?     2     1     1  ?     
 67   4  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
 68   4  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
 69   5  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 70   5  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
 71   5  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 72   5  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
 73   5  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
 74   5  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
 75   5  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
 76   5  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
 77   5  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
 78   5  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
 79   5  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
 80   5  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 81   5  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
 82   5  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
 83   5  1  A  15  TYS  A  15  .  ?        ?     2     1     2  ?     
 84   5  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
 85   5  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
 86   6  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
 87   6  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
 88   6  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
 89   6  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
 90   6  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
 91   6  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
 92   6  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
 93   6  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
 94   6  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
 95   6  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
 96   6  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
 97   6  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
 98   6  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
 99   6  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
100   6  1  A  15  TYS  A  15  .  ?        ?     1     1     2  ?     
101   6  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
102   6  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
103   7  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
104   7  1  A   2  CYS  A   2  .  ?        1     ?     ?     ?  ?     
105   7  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
106   7  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
107   7  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
108   7  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
109   7  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
110   7  1  A   8  CYS  A   8  .  ?        1     ?     ?     ?  ?     
111   7  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
112   7  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
113   7  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
114   7  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
115   7  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
116   7  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
117   7  1  A  15  TYS  A  15  .  ?        ?     2     ?     ?  ?     
118   7  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
119   7  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
120   8  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
121   8  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
122   8  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
123   8  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
124   8  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
125   8  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
126   8  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
127   8  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
128   8  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
129   8  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
130   8  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
131   8  1  A  12  ASN  A  12  .  ?        1     ?     ?     ?  ?     
132   8  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
133   8  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
134   8  1  A  15  TYS  A  15  .  ?        1     2     1     ?  ?     
135   8  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
136   8  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
137   9  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
138   9  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
139   9  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
140   9  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
141   9  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
142   9  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
143   9  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
144   9  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
145   9  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
146   9  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
147   9  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
148   9  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
149   9  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
150   9  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
151   9  1  A  15  TYS  A  15  .  ?        ?     2     ?     2  ?     
152   9  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
153   9  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
154  10  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
155  10  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
156  10  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
157  10  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
158  10  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
159  10  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
160  10  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
161  10  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
162  10  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
163  10  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
164  10  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
165  10  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
166  10  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
167  10  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
168  10  1  A  15  TYS  A  15  .  ?        ?     2     ?     4  ?     
169  10  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
170  10  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
171  11  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
172  11  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
173  11  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
174  11  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
175  11  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
176  11  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
177  11  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
178  11  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
179  11  1  A   9  ASN  A   9  .  ?        1     ?     ?     ?  ?     
180  11  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
181  11  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
182  11  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
183  11  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
184  11  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
185  11  1  A  15  TYS  A  15  .  ?        2     2     1     2  ?     
186  11  1  A  16  CYS  A  16  .  ?        1     ?     ?     ?  ?     
187  11  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
188  12  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
189  12  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
190  12  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
191  12  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
192  12  1  A   5  ASP  A   5  .  ?        1     ?     ?     ?  ?     
193  12  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
194  12  1  A   7  ARG  A   7  .  ?        1     ?     ?     ?  ?     
195  12  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
196  12  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
197  12  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
198  12  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
199  12  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
200  12  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
201  12  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
202  12  1  A  15  TYS  A  15  .  ?        ?     2     1     2  ?     
203  12  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
204  12  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
205  13  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
206  13  1  A   2  CYS  A   2  .  ?        1     ?     ?     ?  ?     
207  13  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
208  13  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
209  13  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
210  13  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
211  13  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
212  13  1  A   8  CYS  A   8  .  ?        1     ?     ?     ?  ?     
213  13  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
214  13  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
215  13  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
216  13  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
217  13  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
218  13  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
219  13  1  A  15  TYS  A  15  .  ?        ?     2     ?     3  ?     
220  13  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
221  13  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
222  14  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
223  14  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
224  14  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
225  14  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
226  14  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
227  14  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
228  14  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
229  14  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
230  14  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
231  14  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
232  14  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
233  14  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
234  14  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
235  14  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
236  14  1  A  15  TYS  A  15  .  ?        ?     2     ?     2  ?     
237  14  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
238  14  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
239  15  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
240  15  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
241  15  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
242  15  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
243  15  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
244  15  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
245  15  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
246  15  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
247  15  1  A   9  ASN  A   9  .  ?        1     ?     ?     ?  ?     
248  15  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
249  15  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
250  15  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
251  15  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
252  15  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
253  15  1  A  15  TYS  A  15  .  ?        ?     2     1     ?  ?     
254  15  1  A  16  CYS  A  16  .  ?        1     ?     ?     ?  ?     
255  15  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
256  16  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
257  16  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
258  16  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
259  16  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
260  16  1  A   5  ASP  A   5  .  ?        1     ?     ?     ?  ?     
261  16  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
262  16  1  A   7  ARG  A   7  .  ?        1     ?     ?     ?  ?     
263  16  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
264  16  1  A   9  ASN  A   9  .  ?        1     ?     ?     ?  ?     
265  16  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
266  16  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
267  16  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
268  16  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
269  16  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
270  16  1  A  15  TYS  A  15  .  ?        ?     2     ?     2  ?     
271  16  1  A  16  CYS  A  16  .  ?        1     ?     ?     ?  ?     
272  16  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
273  17  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
274  17  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
275  17  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
276  17  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
277  17  1  A   5  ASP  A   5  .  ?        1     ?     ?     ?  ?     
278  17  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
279  17  1  A   7  ARG  A   7  .  ?        1     ?     ?     ?  ?     
280  17  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
281  17  1  A   9  ASN  A   9  .  ?        1     ?     ?     ?  ?     
282  17  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
283  17  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
284  17  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
285  17  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
286  17  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
287  17  1  A  15  TYS  A  15  .  ?        ?     2     ?     ?  ?     
288  17  1  A  16  CYS  A  16  .  ?        1     ?     ?     ?  ?     
289  17  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
290  18  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
291  18  1  A   2  CYS  A   2  .  ?        1     ?     ?     ?  ?     
292  18  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
293  18  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
294  18  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
295  18  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
296  18  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
297  18  1  A   8  CYS  A   8  .  ?        1     ?     ?     ?  ?     
298  18  1  A   9  ASN  A   9  .  ?        1     ?     ?     ?  ?     
299  18  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
300  18  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
301  18  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
302  18  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
303  18  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
304  18  1  A  15  TYS  A  15  .  ?        ?     2     1     2  ?     
305  18  1  A  16  CYS  A  16  .  ?        1     ?     ?     ?  ?     
306  18  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
307  19  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
308  19  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
309  19  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
310  19  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
311  19  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
312  19  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
313  19  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
314  19  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
315  19  1  A   9  ASN  A   9  .  ?        1     ?     ?     ?  ?     
316  19  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
317  19  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
318  19  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
319  19  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
320  19  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
321  19  1  A  15  TYS  A  15  .  ?        ?     2     1     2  ?     
322  19  1  A  16  CYS  A  16  .  ?        1     ?     ?     ?  ?     
323  19  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
324  20  1  A   1  GLY  A   1  .  ?        ?     ?     ?     ?  ?     
325  20  1  A   2  CYS  A   2  .  ?        ?     ?     ?     ?  ?     
326  20  1  A   3  CYS  A   3  .  ?        ?     ?     ?     ?  ?     
327  20  1  A   4  SER  A   4  .  ?        ?     ?     ?     ?  ?     
328  20  1  A   5  ASP  A   5  .  ?        ?     ?     ?     ?  ?     
329  20  1  A   6  PRO  A   6  .  ?        ?     ?     ?     ?  ?     
330  20  1  A   7  ARG  A   7  .  ?        ?     ?     ?     ?  ?     
331  20  1  A   8  CYS  A   8  .  ?        ?     ?     ?     ?  ?     
332  20  1  A   9  ASN  A   9  .  ?        ?     ?     ?     ?  ?     
333  20  1  A  10  MET  A  10  .  ?        ?     ?     ?     ?  ?     
334  20  1  A  11  ASN  A  11  .  ?        ?     ?     ?     ?  ?     
335  20  1  A  12  ASN  A  12  .  ?        ?     ?     ?     ?  ?     
336  20  1  A  13  PRO  A  13  .  ?        ?     ?     ?     ?  ?     
337  20  1  A  14  ASP  A  14  .  ?        ?     ?     ?     ?  ?     
338  20  1  A  15  TYS  A  15  .  ?        ?     1     1     2  ?     
339  20  1  A  16  CYS  A  16  .  ?        ?     ?     ?     ?  ?     
340  20  1  A  17  NH2  A  17  .  ?        ?     ?     ?     ?  ?     
#
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  0.83     5  0.82  molprobity     ?  False  
  2    2  OUTLIER   -80.1  -32.0  Favored     4     6  0.92     8  0.67  molprobity     ?  False  
  3    3  m         -67.1   -6.6  Favored     4     6  0.40     8  0.29  molprobity     1  True   
  4    4  m         -72.0  -21.6  Favored     5     6  0.94     8  0.74  molprobity     1  True   
  5    5  t70      -101.8  130.5  Favored     4     8  0.57    12  1.01  molprobity     1  True   
  6    6  Cg_exo    -55.4  -32.0  Favored     7     8  0.43    11  0.39  molprobity     1  True   
  7    7  mtm180    -62.1  -49.7  Favored    13    11  0.53    14  0.72  molprobity     1  True   
  8    8  m         -63.8  -30.4  Favored     4     6  0.37     8  0.44  molprobity     1  True   
  9    9  t-20      -67.8  -38.0  Favored     6     8  0.54    11  0.32  molprobity     1  True   
 10   10  mtt       -80.4  -47.5  Favored     9     8  0.33    10  0.59  molprobity     1  True   
 11   11  m-20      -74.8  -34.3  Favored     6     8  0.56    11  0.58  molprobity     1  True   
 12   12  m-80     -129.6   94.4  Favored     6     8  0.67    12  0.54  molprobity     1  True   
 13   13  Cg_endo   -70.7  -10.9  Favored     7     8  0.39    11  0.45  molprobity     1  True   
 14   14  m-20      -76.5  -38.7  Favored     4     7  0.37     8  0.81  molprobity     1  True   
 15   15  ?             ?      ?  ?           8    15  1.53    18  0.66  mogul          ?  False  
 16   16  m        -104.7   75.3  Allowed     4     5  0.58     5  0.43  molprobity     ?  False  
 17   17  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 18   18  ?             ?      ?  ?           5     4  0.81     5  0.69  molprobity     ?  False  
 19   19  OUTLIER   -81.3  -29.0  Favored     4     6  0.96     8  0.55  molprobity     ?  False  
 20   20  m         -65.0  -16.9  Favored     4     6  0.22     8  0.41  molprobity     1  True   
 21   21  m         -63.9  -26.6  Favored     5     6  0.58     8  0.47  molprobity     1  True   
 22   22  t70       -97.2  134.7  Favored     4     8  0.48    12  0.83  molprobity     1  True   
 23   23  Cg_endo   -61.5  -28.0  Favored     7     8  0.38    11  0.38  molprobity     1  True   
 24   24  mtm180    -70.3  -49.3  Favored    13    11  0.56    14  0.61  molprobity     1  True   
 25   25  m         -62.0  -37.4  Favored     4     6  0.38     8  0.71  molprobity     1  True   
 26   26  t-20      -60.5  -38.4  Favored     6     8  0.48    11  0.23  molprobity     1  True   
 27   27  mtt       -88.1  -34.8  Favored     9     8  0.41    10  0.37  molprobity     1  True   
 28   28  m-20      -78.7  -34.5  Favored     6     8  0.68    11  0.42  molprobity     1  True   
 29   29  m-80     -142.3   86.7  Favored     6     8  0.55    12  0.57  molprobity     1  True   
 30   30  Cg_endo   -62.1  -15.5  Favored     7     8  0.29    11  0.28  molprobity     1  True   
 31   31  m-20      -69.9  -14.5  Favored     4     7  0.36     8  0.93  molprobity     1  True   
 32   32  ?             ?      ?  ?           8    15  1.93    18  0.67  mogul          ?  False  
 33   33  m         -96.8  -83.0  Allowed     4     5  1.04     5  0.45  molprobity     ?  False  
 34   34  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 35   35  ?             ?      ?  ?           5     4  0.92     5  0.48  molprobity     ?  False  
 36   36  t        -103.0  -12.5  Favored     4     6  0.92     8  0.58  molprobity     ?  False  
 37   37  m         -62.2  -16.1  Favored     4     6  0.45     8  0.40  molprobity     1  True   
 38   38  m         -62.5  -24.6  Favored     5     6  0.46     8  0.47  molprobity     1  True   
 39   39  t0       -105.7  124.8  Favored     4     8  0.55    12  0.97  molprobity     1  True   
 40   40  Cg_endo   -56.7  -25.5  Favored     7     8  0.44    11  0.44  molprobity     1  True   
 41   41  ptt180    -69.5  -37.7  Favored    13    11  0.52    14  0.46  molprobity     1  True   
 42   42  m         -69.9  -34.0  Favored     4     6  0.62     8  0.53  molprobity     1  True   
 43   43  t-20      -61.9  -40.3  Favored     6     8  0.57    11  0.39  molprobity     1  True   
 44   44  mtt       -80.3  -36.4  Favored     9     8  0.34    10  0.25  molprobity     1  True   
 45   45  m-20      -77.1  -34.5  Favored     6     8  0.64    11  0.55  molprobity     1  True   
 46   46  m-80     -139.0   95.9  Favored     6     8  0.59    12  0.50  molprobity     1  True   
 47   47  Cg_endo   -70.0  -13.0  Favored     7     8  0.30    11  0.18  molprobity     1  True   
 48   48  m-20      -78.9  -14.5  Favored     4     7  0.51     8  0.80  molprobity     1  True   
 49   49  ?             ?      ?  ?           8    15  1.55    18  0.84  mogul          ?  False  
 50   50  m         -93.7   78.5  Favored     4     5  0.69     5  0.52  molprobity     ?  False  
 51   51  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 52   52  ?             ?      ?  ?           5     4  0.65     5  0.59  molprobity     ?  False  
 53   53  m         -59.3  -42.8  Favored     4     6  0.76     8  0.82  molprobity     ?  False  
 54   54  m         -79.4   -3.2  Favored     4     6  0.71     8  0.82  molprobity     1  True   
 55   55  m         -99.6    7.3  Favored     5     6  0.58     8  0.64  molprobity     1  True   
 56   56  t70      -119.6  134.8  Favored     4     8  0.60    12  0.74  molprobity     1  True   
 57   57  Cg_endo   -60.8  -30.5  Favored     7     8  0.41    11  0.52  molprobity     1  True   
 58   58  mmm180    -78.2  -48.6  Favored    13    11  0.87    14  0.64  molprobity     1  True   
 59   59  m         -59.5  -32.9  Favored     4     6  0.61     8  0.67  molprobity     1  True   
 60   60  t-20      -64.5  -43.5  Favored     6     8  0.55    11  0.35  molprobity     1  True   
 61   61  mtp       -81.7  -34.7  Favored     9     8  0.43    10  0.37  molprobity     1  True   
 62   62  m-20      -81.6  -34.4  Favored     6     8  0.61    11  0.61  molprobity     1  True   
 63   63  m-20     -127.5   91.1  Favored     6     8  0.47    12  0.43  molprobity     1  True   
 64   64  Cg_endo   -67.1  -21.3  Favored     7     8  0.34    11  0.22  molprobity     1  True   
 65   65  m-20      -77.3  -33.5  Favored     4     7  0.43     8  0.91  molprobity     1  True   
 66   66  ?             ?      ?  ?           8    15  1.68    18  0.77  mogul          ?  False  
 67   67  m        -118.3   85.4  Favored     4     5  0.89     5  0.58  molprobity     ?  False  
 68   68  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 69   69  ?             ?      ?  ?           5     4  0.52     5  0.49  molprobity     ?  False  
 70   70  OUTLIER   -81.5  -12.2  Favored     4     6  1.00     8  0.56  molprobity     ?  False  
 71   71  m         -64.3  -14.6  Favored     4     6  0.52     8  0.34  molprobity     1  True   
 72   72  m         -69.9  -20.5  Favored     5     6  0.57     8  0.42  molprobity     1  True   
 73   73  t70       -98.8  127.0  Favored     4     8  0.68    12  0.94  molprobity     1  True   
 74   74  Cg_endo   -60.6  -26.4  Favored     7     8  0.34    11  0.37  molprobity     1  True   
 75   75  mtt180    -72.8  -38.9  Favored    13    11  0.75    14  0.37  molprobity     1  True   
 76   76  m         -65.5  -35.9  Favored     4     6  0.58     8  0.72  molprobity     1  True   
 77   77  t-20      -66.9  -38.1  Favored     6     8  0.50    11  0.26  molprobity     1  True   
 78   78  mtt       -75.3  -45.6  Favored     9     8  0.45    10  0.42  molprobity     1  True   
 79   79  m-20      -73.6  -33.8  Favored     6     8  0.57    11  0.24  molprobity     1  True   
 80   80  m-80     -143.0   86.5  Favored     6     8  0.55    12  0.56  molprobity     1  True   
 81   81  Cg_endo   -66.9  -17.9  Favored     7     8  0.19    11  0.48  molprobity     1  True   
 82   82  m-20      -62.2  -29.1  Favored     4     7  0.24     8  0.85  molprobity     1  True   
 83   83  ?             ?      ?  ?           8    15  1.47    18  0.77  mogul          ?  False  
 84   84  m        -115.1   68.1  Allowed     4     5  0.79     5  0.74  molprobity     ?  False  
 85   85  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 86   86  ?             ?      ?  ?           5     4  0.56     5  0.49  molprobity     ?  False  
 87   87  OUTLIER   -72.6  -25.7  Favored     4     6  0.81     8  0.47  molprobity     ?  False  
 88   88  m         -69.6   -6.8  Favored     4     6  0.42     8  0.43  molprobity     1  True   
 89   89  m         -76.9  -15.4  Favored     5     6  0.59     8  0.67  molprobity     1  True   
 90   90  t70      -102.1  135.7  Favored     4     8  0.79    12  0.78  molprobity     1  True   
 91   91  Cg_exo    -64.7  -25.9  Favored     7     8  0.50    11  0.50  molprobity     1  True   
 92   92  mtt180    -71.2  -51.0  Favored    13    11  0.71    14  0.42  molprobity     1  True   
 93   93  m         -60.3  -33.5  Favored     4     6  0.43     8  0.51  molprobity     1  True   
 94   94  t-20      -63.1  -50.6  Favored     6     8  0.48    11  0.24  molprobity     1  True   
 95   95  ptt?      -80.7  -22.6  Favored     9     8  0.48    10  0.35  molprobity     1  True   
 96   96  m-20      -87.8  -33.1  Favored     6     8  0.56    11  0.35  molprobity     1  True   
 97   97  m-20     -134.7   95.3  Favored     6     8  0.44    12  0.41  molprobity     1  True   
 98   98  Cg_endo   -70.1  -11.5  Favored     7     8  0.38    11  0.25  molprobity     1  True   
 99   99  m-20      -88.1  -17.7  Favored     4     7  0.45     8  0.80  molprobity     1  True   
100  100  ?             ?      ?  ?           8    15  1.32    18  0.72  mogul          ?  False  
101  101  m        -106.9   85.0  Favored     4     5  0.61     5  0.46  molprobity     ?  False  
102  102  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
103  103  ?             ?      ?  ?           5     4  0.68     5  0.55  molprobity     ?  False  
104  104  m         -55.7  -36.5  Favored     4     6  0.77     8  0.65  molprobity     ?  False  
105  105  m         -67.0  -25.1  Favored     4     6  0.65     8  0.59  molprobity     1  True   
106  106  m         -86.0  -20.1  Favored     5     6  0.69     8  0.47  molprobity     1  True   
107  107  t70       -80.3  131.9  Favored     4     8  0.68    12  0.78  molprobity     1  True   
108  108  Cg_endo   -59.1  -30.9  Favored     7     8  0.40    11  0.43  molprobity     1  True   
109  109  mmm180    -79.2  -55.4  Favored    13    11  0.93    14  0.66  molprobity     1  True   
110  110  m         -57.1  -41.8  Favored     4     6  0.72     8  0.97  molprobity     1  True   
111  111  t-20      -62.1  -38.1  Favored     6     8  0.48    11  0.21  molprobity     1  True   
112  112  mtp       -88.0  -35.8  Favored     9     8  0.30    10  0.31  molprobity     1  True   
113  113  m-20      -74.0  -34.9  Favored     6     8  0.66    11  0.69  molprobity     1  True   
114  114  m-80     -141.5   91.9  Favored     6     8  0.48    12  0.57  molprobity     1  True   
115  115  Cg_endo   -69.8   -5.9  Favored     7     8  0.30    11  0.45  molprobity     1  True   
116  116  m-20      -66.0  -29.6  Favored     4     7  0.35     8  0.78  molprobity     1  True   
117  117  ?             ?      ?  ?           8    15  1.44    18  0.71  mogul          ?  False  
118  118  m        -115.4   74.4  Allowed     4     5  0.84     5  0.77  molprobity     ?  False  
119  119  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
120  120  ?             ?      ?  ?           5     4  0.81     5  0.61  molprobity     ?  False  
121  121  t         -84.5  -18.9  Favored     4     6  0.66     8  0.60  molprobity     ?  False  
122  122  m         -74.4   -7.4  Favored     4     6  0.70     8  0.50  molprobity     1  True   
123  123  m         -80.8   -0.8  Favored     5     6  0.79     8  0.91  molprobity     1  True   
124  124  t70      -121.6  135.8  Favored     4     8  0.83    12  1.07  molprobity     1  True   
125  125  Cg_exo    -51.7  -30.3  Favored     7     8  0.46    11  0.31  molprobity     1  True   
126  126  ptp180    -58.3  -60.4  Favored    13    11  0.59    14  0.67  molprobity     1  True   
127  127  m         -76.6  -18.9  Favored     4     6  0.91     8  0.59  molprobity     1  True   
128  128  t-20      -70.3  -38.2  Favored     6     8  0.50    11  0.35  molprobity     1  True   
129  129  mmt       -88.5  -47.5  Favored     9     8  0.27    10  0.37  molprobity     1  True   
130  130  m-20      -74.4  -32.3  Favored     6     8  0.96    11  0.98  molprobity     1  True   
131  131  m-20     -118.2  104.0  Favored     6     8  0.74    12  0.65  molprobity     1  True   
132  132  Cg_endo   -73.3   -5.4  Favored     7     8  0.47    11  0.26  molprobity     1  True   
133  133  m-20      -83.8  -41.1  Favored     4     7  0.45     8  0.88  molprobity     1  True   
134  134  ?             ?      ?  ?           8    15  1.68    18  0.71  mogul          ?  False  
135  135  m        -139.2   88.0  Favored     4     5  0.52     5  0.53  molprobity     ?  False  
136  136  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
137  137  ?             ?      ?  ?           5     4  0.68     5  0.27  molprobity     ?  False  
138  138  OUTLIER   -83.5  -26.7  Favored     4     6  0.86     8  0.68  molprobity     ?  False  
139  139  m         -65.2   -1.4  Favored     4     6  0.62     8  0.53  molprobity     1  True   
140  140  m         -74.5  -17.9  Favored     5     6  0.68     8  0.81  molprobity     1  True   
141  141  t70      -101.1  134.7  Favored     4     8  0.77    12  0.97  molprobity     1  True   
142  142  Cg_endo   -58.9  -29.5  Favored     7     8  0.42    11  0.38  molprobity     1  True   
143  143  mtp180    -65.8  -57.4  Favored    13    11  0.75    14  0.67  molprobity     1  True   
144  144  m         -59.3  -36.4  Favored     4     6  0.56     8  0.72  molprobity     1  True   
145  145  t-20      -61.1  -43.8  Favored     6     8  0.59    11  0.18  molprobity     1  True   
146  146  ptm       -88.8  -25.3  Favored     9     8  0.38    10  0.50  molprobity     1  True   
147  147  m-20      -83.5  -29.6  Favored     6     8  0.69    11  0.68  molprobity     1  True   
148  148  m-80     -113.1   97.6  Favored     6     8  0.66    12  0.57  molprobity     1  True   
149  149  Cg_endo   -70.8  -12.0  Favored     7     8  0.40    11  0.25  molprobity     1  True   
150  150  m-20      -87.9  -35.7  Favored     4     7  0.32     8  0.82  molprobity     1  True   
151  151  ?             ?      ?  ?           8    15  1.73    18  0.57  mogul          ?  False  
152  152  m        -142.4   85.0  Allowed     4     5  0.66     5  0.39  molprobity     ?  False  
153  153  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
154  154  ?             ?      ?  ?           5     4  0.63     5  0.52  molprobity     ?  False  
155  155  t        -102.8   -3.5  Favored     4     6  0.85     8  0.98  molprobity     ?  False  
156  156  m         -67.1  -14.3  Favored     4     6  0.57     8  0.45  molprobity     1  True   
157  157  m         -67.4  -22.1  Favored     5     6  0.58     8  0.36  molprobity     1  True   
158  158  t70       -93.8  134.8  Favored     4     8  0.67    12  0.87  molprobity     1  True   
159  159  Cg_endo   -62.1  -29.1  Favored     7     8  0.44    11  0.51  molprobity     1  True   
160  160  mtp180    -83.3  -33.3  Favored    13    11  0.64    14  0.54  molprobity     1  True   
161  161  m         -64.7  -35.9  Favored     4     6  0.27     8  0.79  molprobity     1  True   
162  162  t-20      -62.7  -40.6  Favored     6     8  0.43    11  0.37  molprobity     1  True   
163  163  mtt       -74.0  -46.8  Favored     9     8  0.25    10  0.29  molprobity     1  True   
164  164  m-80      -69.7  -34.0  Favored     6     8  0.78    11  0.68  molprobity     1  True   
165  165  m-80     -133.8   95.8  Favored     6     8  0.65    12  0.53  molprobity     1  True   
166  166  Cg_endo   -71.4  -11.3  Favored     7     8  0.30    11  0.33  molprobity     1  True   
167  167  m-20      -78.8  -30.4  Favored     4     7  0.52     8  0.78  molprobity     1  True   
168  168  ?             ?      ?  ?           8    15  1.55    18  0.79  mogul          ?  False  
169  169  m        -114.0   79.8  Allowed     4     5  0.71     5  0.57  molprobity     ?  False  
170  170  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
171  171  ?             ?      ?  ?           5     4  1.08     5  0.42  molprobity     ?  False  
172  172  t        -102.5    9.8  Favored     4     6  0.97     8  0.35  molprobity     ?  False  
173  173  m         -69.2  -14.9  Favored     4     6  0.39     8  0.45  molprobity     1  True   
174  174  m         -67.7  -22.4  Favored     5     6  0.56     8  0.65  molprobity     1  True   
175  175  t70       -97.1  128.8  Favored     4     8  0.75    12  0.84  molprobity     1  True   
176  176  Cg_endo   -59.7  -28.2  Favored     7     8  0.42    11  0.52  molprobity     1  True   
177  177  mtt180    -82.4  -44.6  Favored    13    11  0.74    14  0.50  molprobity     1  True   
178  178  m         -61.8  -37.0  Favored     4     6  0.68     8  0.83  molprobity     1  True   
179  179  t-20      -59.7  -40.2  Favored     6     8  0.49    11  0.19  molprobity     1  True   
180  180  mmt       -83.8  -45.2  Favored     9     8  0.24    10  0.36  molprobity     1  True   
181  181  m-80      -69.1  -32.7  Favored     6     8  0.80    11  0.79  molprobity     1  True   
182  182  m-80     -122.9  101.8  Favored     6     8  0.55    12  0.53  molprobity     1  True   
183  183  Cg_endo   -73.2  -13.4  Favored     7     8  0.38    11  0.30  molprobity     1  True   
184  184  m-20      -85.3  -25.5  Favored     4     7  0.43     8  0.79  molprobity     1  True   
185  185  ?             ?      ?  ?           8    15  1.61    18  0.71  mogul          ?  False  
186  186  m        -122.8   84.7  Favored     4     5  0.89     5  0.64  molprobity     ?  False  
187  187  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
188  188  ?             ?      ?  ?           5     4  0.61     5  0.40  molprobity     ?  False  
189  189  OUTLIER   -83.7  -16.6  Favored     4     6  0.84     8  0.59  molprobity     ?  False  
190  190  m         -61.8  -12.4  Favored     4     6  0.56     8  0.38  molprobity     1  True   
191  191  m         -70.2  -18.3  Favored     5     6  0.66     8  0.77  molprobity     1  True   
192  192  t70      -109.2  130.1  Favored     4     8  0.77    12  0.85  molprobity     1  True   
193  193  Cg_endo   -58.3  -29.1  Favored     7     8  0.44    11  0.47  molprobity     1  True   
194  194  ptp180    -71.1  -32.9  Favored    13    11  0.47    14  0.77  molprobity     1  True   
195  195  m         -72.8  -30.4  Favored     4     6  0.52     8  0.52  molprobity     1  True   
196  196  t-20      -67.2  -37.7  Favored     6     8  0.59    11  0.39  molprobity     1  True   
197  197  mmt       -81.2  -40.8  Favored     9     8  0.31    10  0.36  molprobity     1  True   
198  198  m-20      -77.0  -34.0  Favored     6     8  0.78    11  0.55  molprobity     1  True   
199  199  m-20     -128.3   92.4  Favored     6     8  0.60    12  0.47  molprobity     1  True   
200  200  Cg_endo   -72.0  -14.8  Favored     7     8  0.39    11  0.26  molprobity     1  True   
201  201  m-20      -77.9  -36.5  Favored     4     7  0.32     8  0.94  molprobity     1  True   
202  202  ?             ?      ?  ?           8    15  1.36    18  0.83  mogul          ?  False  
203  203  m        -115.9   77.6  Allowed     4     5  0.78     5  0.58  molprobity     ?  False  
204  204  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
205  205  ?             ?      ?  ?           5     4  0.60     5  0.47  molprobity     ?  False  
206  206  OUTLIER   -66.4  -35.9  Favored     4     6  0.72     8  0.40  molprobity     ?  False  
207  207  m         -74.1   -8.4  Favored     4     6  0.42     8  0.56  molprobity     1  True   
208  208  m         -84.7  -10.7  Favored     5     6  0.69     8  0.47  molprobity     1  True   
209  209  t70      -105.2  132.7  Favored     4     8  0.52    12  0.90  molprobity     1  True   
210  210  Cg_endo   -58.4  -29.3  Favored     7     8  0.32    11  0.37  molprobity     1  True   
211  211  mtt180    -68.1  -57.7  Favored    13    11  0.54    14  0.48  molprobity     1  True   
212  212  m         -58.6  -35.1  Favored     4     6  0.66     8  0.67  molprobity     1  True   
213  213  t-20      -62.3  -45.1  Favored     6     8  0.55    11  0.28  molprobity     1  True   
214  214  mtt       -84.0  -33.6  Favored     9     8  0.38    10  0.26  molprobity     1  True   
215  215  m-20      -76.1  -33.3  Favored     6     8  0.54    11  0.40  molprobity     1  True   
216  216  m-80     -131.4   98.1  Favored     6     8  0.47    12  0.63  molprobity     1  True   
217  217  Cg_endo   -69.0  -17.6  Favored     7     8  0.30    11  0.41  molprobity     1  True   
218  218  m-20      -78.9  -35.6  Favored     4     7  0.29     8  0.76  molprobity     1  True   
219  219  ?             ?      ?  ?           8    15  1.32    18  0.68  mogul          ?  False  
220  220  m        -118.4   82.6  Allowed     4     5  0.71     5  0.59  molprobity     ?  False  
221  221  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
222  222  ?             ?      ?  ?           5     4  0.87     5  0.75  molprobity     ?  False  
223  223  OUTLIER  -102.6  -20.0  Favored     4     6  0.96     8  0.29  molprobity     ?  False  
224  224  m         -69.3   -5.8  Favored     4     6  0.45     8  0.40  molprobity     1  True   
225  225  m         -69.8  -22.4  Favored     5     6  0.69     8  0.91  molprobity     1  True   
226  226  t70       -98.1  131.4  Favored     4     8  0.74    12  0.97  molprobity     1  True   
227  227  Cg_endo   -58.7  -29.4  Favored     7     8  0.49    11  0.41  molprobity     1  True   
228  228  mmt180    -73.1  -44.2  Favored    13    11  0.81    14  0.67  molprobity     1  True   
229  229  m         -60.0  -34.5  Favored     4     6  0.72     8  0.47  molprobity     1  True   
230  230  t-20      -73.6  -47.0  Favored     6     8  0.70    11  0.36  molprobity     1  True   
231  231  ptm       -76.7  -25.3  Favored     9     8  0.30    10  0.45  molprobity     1  True   
232  232  m-20      -85.4  -31.9  Favored     6     8  0.52    11  0.79  molprobity     1  True   
233  233  m-80     -126.8   95.5  Favored     6     8  0.65    12  0.49  molprobity     1  True   
234  234  Cg_endo   -71.3   -6.3  Favored     7     8  0.31    11  0.26  molprobity     1  True   
235  235  m-20      -87.3  -15.9  Favored     4     7  0.29     8  0.62  molprobity     1  True   
236  236  ?             ?      ?  ?           8    15  1.62    18  0.64  mogul          ?  False  
237  237  m        -134.5   93.5  Favored     4     5  0.74     5  0.45  molprobity     ?  False  
238  238  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
239  239  ?             ?      ?  ?           5     4  0.52     5  0.48  molprobity     ?  False  
240  240  OUTLIER   -83.1  -32.3  Favored     4     6  0.82     8  0.47  molprobity     ?  False  
241  241  m         -74.1   -0.6  Favored     4     6  0.51     8  0.53  molprobity     1  True   
242  242  m         -83.7   -7.7  Favored     5     6  0.65     8  0.95  molprobity     1  True   
243  243  t70      -115.3  134.6  Favored     4     8  0.51    12  0.85  molprobity     1  True   
244  244  Cg_endo   -62.0  -26.8  Favored     7     8  0.50    11  0.37  molprobity     1  True   
245  245  mtt180    -71.1  -47.6  Favored    13    11  0.52    14  0.76  molprobity     1  True   
246  246  m         -65.6  -31.4  Favored     4     6  0.54     8  0.66  molprobity     1  True   
247  247  t-20      -60.8  -47.7  Favored     6     8  0.46    11  0.22  molprobity     1  True   
248  248  ptm       -80.8  -35.9  Favored     9     8  0.48    10  0.52  molprobity     1  True   
249  249  m-20      -79.6  -31.2  Favored     6     8  0.60    11  0.50  molprobity     1  True   
250  250  m-80     -126.5   94.7  Favored     6     8  0.56    12  0.43  molprobity     1  True   
251  251  Cg_endo   -73.4  -17.2  Favored     7     8  0.30    11  0.26  molprobity     1  True   
252  252  m-20      -80.0  -30.8  Favored     4     7  0.44     8  0.76  molprobity     1  True   
253  253  ?             ?      ?  ?           8    15  1.51    18  0.64  mogul          ?  False  
254  254  m        -105.2   80.6  Allowed     4     5  0.72     5  0.59  molprobity     ?  False  
255  255  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
256  256  ?             ?      ?  ?           5     4  0.62     5  0.44  molprobity     ?  False  
257  257  OUTLIER   -85.5  -25.5  Favored     4     6  0.69     8  0.69  molprobity     ?  False  
258  258  m         -72.0   -9.8  Favored     4     6  0.45     8  0.49  molprobity     1  True   
259  259  m         -69.6  -17.2  Favored     5     6  0.60     8  0.74  molprobity     1  True   
260  260  t70      -108.7  138.5  Favored     4     8  0.69    12  0.85  molprobity     1  True   
261  261  Cg_exo    -59.1  -31.3  Favored     7     8  0.37    11  0.41  molprobity     1  True   
262  262  ptt180    -65.0  -48.7  Favored    13    11  0.45    14  0.80  molprobity     1  True   
263  263  m         -67.1  -31.2  Favored     4     6  0.40     8  0.45  molprobity     1  True   
264  264  t-20      -65.6  -41.3  Favored     6     8  0.53    11  0.28  molprobity     1  True   
265  265  ptm       -87.9  -24.3  Favored     9     8  0.35    10  0.50  molprobity     1  True   
266  266  m-20      -83.8  -34.2  Favored     6     8  0.55    11  0.53  molprobity     1  True   
267  267  m-80     -137.5  107.2  Favored     6     8  0.57    12  0.66  molprobity     1  True   
268  268  Cg_endo   -72.4   -9.3  Favored     7     8  0.36    11  0.40  molprobity     1  True   
269  269  m-20      -76.3  -39.3  Favored     4     7  0.57     8  0.67  molprobity     1  True   
270  270  ?             ?      ?  ?           8    15  1.62    18  0.58  mogul          ?  False  
271  271  m        -109.0   82.0  Allowed     4     5  1.05     5  0.69  molprobity     ?  False  
272  272  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
273  273  ?             ?      ?  ?           5     4  0.73     5  0.47  molprobity     ?  False  
274  274  OUTLIER   -70.8  -23.4  Favored     4     6  0.82     8  0.29  molprobity     ?  False  
275  275  m         -63.8  -13.8  Favored     4     6  0.40     8  0.35  molprobity     1  True   
276  276  m         -71.7  -19.3  Favored     5     6  0.61     8  0.54  molprobity     1  True   
277  277  t70       -99.7  138.3  Favored     4     8  0.57    12  0.86  molprobity     1  True   
278  278  Cg_exo    -57.3  -37.7  Favored     7     8  0.65    11  0.51  molprobity     1  True   
279  279  ptt180    -73.2  -40.1  Favored    13    11  0.64    14  0.92  molprobity     1  True   
280  280  m         -65.0  -38.2  Favored     4     6  0.61     8  0.70  molprobity     1  True   
281  281  t-20      -57.7  -38.8  Favored     6     8  0.61    11  0.25  molprobity     1  True   
282  282  mmt       -88.0  -38.2  Favored     9     8  0.42    10  0.28  molprobity     1  True   
283  283  m-20      -79.0  -33.9  Favored     6     8  0.66    11  0.67  molprobity     1  True   
284  284  p30      -131.7  104.3  Favored     6     8  0.58    12  0.74  molprobity     1  True   
285  285  Cg_endo   -78.7   -4.3  Favored     7     8  0.52    11  0.36  molprobity     1  True   
286  286  m-20      -72.9  -41.0  Favored     4     7  0.59     8  0.71  molprobity     1  True   
287  287  ?             ?      ?  ?           8    15  1.51    18  0.65  mogul          ?  False  
288  288  m         -99.7   73.2  Allowed     4     5  0.42     5  0.48  molprobity     ?  False  
289  289  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
290  290  ?             ?      ?  ?           5     4  0.94     5  0.62  molprobity     ?  False  
291  291  OUTLIER   -70.5  -41.3  Favored     4     6  0.88     8  0.64  molprobity     ?  False  
292  292  m         -72.1  -17.9  Favored     4     6  0.43     8  0.65  molprobity     1  True   
293  293  m         -82.1    1.4  Favored     5     6  0.63     8  0.60  molprobity     1  True   
294  294  t70      -119.8  134.7  Favored     4     8  0.68    12  0.77  molprobity     1  True   
295  295  Cg_endo   -58.6  -29.4  Favored     7     8  0.40    11  0.43  molprobity     1  True   
296  296  mmt180    -75.3  -59.6  Favored    13    11  0.53    14  0.60  molprobity     1  True   
297  297  m         -56.5  -35.5  Favored     4     6  0.56     8  0.83  molprobity     1  True   
298  298  t-20      -58.8  -46.0  Favored     6     8  0.47    11  0.27  molprobity     1  True   
299  299  ptm       -87.9  -24.9  Favored     9     8  0.42    10  0.52  molprobity     1  True   
300  300  m-20      -82.7  -34.4  Favored     6     8  0.61    11  0.44  molprobity     1  True   
301  301  m-20     -129.7  100.7  Favored     6     8  0.61    12  0.48  molprobity     1  True   
302  302  Cg_endo   -72.9   -6.0  Favored     7     8  0.40    11  0.48  molprobity     1  True   
303  303  m-20      -82.6  -27.9  Favored     4     7  0.34     8  0.73  molprobity     1  True   
304  304  ?             ?      ?  ?           8    15  1.57    18  0.70  mogul          ?  False  
305  305  m        -113.0   83.8  Allowed     4     5  0.68     5  0.61  molprobity     ?  False  
306  306  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
307  307  ?             ?      ?  ?           5     4  0.83     5  0.59  molprobity     ?  False  
308  308  OUTLIER   -76.6  -29.7  Favored     4     6  0.97     8  0.49  molprobity     ?  False  
309  309  m         -69.0   -9.6  Favored     4     6  0.29     8  0.42  molprobity     1  True   
310  310  m         -75.5  -14.6  Favored     5     6  0.76     8  0.59  molprobity     1  True   
311  311  t70      -105.6  135.7  Favored     4     8  0.65    12  0.83  molprobity     1  True   
312  312  Cg_exo    -64.7  -27.1  Favored     7     8  0.54    11  0.54  molprobity     1  True   
313  313  mmt180    -76.7  -40.3  Favored    13    11  0.60    14  1.01  molprobity     1  True   
314  314  m         -65.3  -32.3  Favored     4     6  0.43     8  0.87  molprobity     1  True   
315  315  t-20      -60.6  -42.7  Favored     6     8  0.41    11  0.27  molprobity     1  True   
316  316  mtt       -88.0  -28.4  Favored     9     8  0.44    10  0.27  molprobity     1  True   
317  317  m-20      -77.0  -33.4  Favored     6     8  0.80    11  0.48  molprobity     1  True   
318  318  m-80     -129.6   91.6  Favored     6     8  0.63    12  0.47  molprobity     1  True   
319  319  Cg_endo   -68.7  -18.0  Favored     7     8  0.31    11  0.32  molprobity     1  True   
320  320  m-20      -80.5  -31.4  Favored     4     7  0.32     8  0.92  molprobity     1  True   
321  321  ?             ?      ?  ?           8    15  1.49    18  0.76  mogul          ?  False  
322  322  m        -106.0   83.7  Allowed     4     5  0.69     5  0.52  molprobity     ?  False  
323  323  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
324  324  ?             ?      ?  ?           5     4  0.58     5  0.29  molprobity     ?  False  
325  325  OUTLIER   -82.8  -19.8  Favored     4     6  0.83     8  0.60  molprobity     ?  False  
326  326  m         -65.3   -8.8  Favored     4     6  0.44     8  0.39  molprobity     1  True   
327  327  m         -74.3  -19.2  Favored     5     6  0.69     8  0.66  molprobity     1  True   
328  328  t70      -103.6  133.2  Favored     4     8  0.75    12  0.90  molprobity     1  True   
329  329  Cg_endo   -64.6  -25.9  Favored     7     8  0.38    11  0.57  molprobity     1  True   
330  330  mtp180    -77.8  -39.1  Favored    13    11  0.82    14  0.60  molprobity     1  True   
331  331  m         -59.7  -39.0  Favored     4     6  0.70     8  0.56  molprobity     1  True   
332  332  t-20      -67.0  -38.1  Favored     6     8  0.51    11  0.26  molprobity     1  True   
333  333  ptp       -80.1  -34.9  Favored     9     8  0.24    10  0.64  molprobity     1  True   
334  334  m-80      -78.7  -34.6  Favored     6     8  0.71    11  0.59  molprobity     1  True   
335  335  m-80     -140.1   86.1  Favored     6     8  0.54    12  0.48  molprobity     1  True   
336  336  Cg_endo   -66.6  -17.9  Favored     7     8  0.31    11  0.24  molprobity     1  True   
337  337  m-20      -75.5  -11.2  Favored     4     7  0.28     8  0.82  molprobity     1  True   
338  338  ?             ?      ?  ?           8    15  1.40    18  0.76  mogul          ?  False  
339  339  m        -103.9   79.7  Allowed     4     5  1.01     5  0.56  molprobity     ?  False  
340  340  ?             ?      ?  ?           ?     ?     ?     ?     ?  ?              ?  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    9  HA    1  0.53  2.44  
 2   16  SG    1  0.53  2.44  
 3   39  OD1   2  0.42  2.15  
 4   41  HG2   2  0.42  2.15  
 5   53  O     3  0.45  2.11  
 6   59  HB2   3  0.45  2.11  
 7  104  O     4  0.47  2.10  
 8  110  HB2   4  0.47  2.10  
 9  131  CB    5  0.47  2.40  
10  134  HD1   5  0.47  2.40  
11  179  HA    6  0.59  2.37  
12  185  N     7  0.45  2.26  
13  185  HD1   7  0.45  2.26  
14  186  SG    6  0.59  2.37  
15  192  OD2   8  0.48  2.08  
16  194  HG2   8  0.48  2.08  
17  206  O     9  0.43  2.12  
18  212  HB2   9  0.43  2.12  
19  247  HA   10  0.42  2.55  
20  254  SG   10  0.42  2.55  
21  260  OD2  11  0.44  2.11  
22  262  HG2  11  0.44  2.11  
23  264  HA   12  0.50  2.47  
24  271  SG   12  0.50  2.47  
25  277  OD1  13  0.53  2.03  
26  279  HG2  13  0.53  2.03  
27  281  HA   14  0.45  2.51  
28  288  SG   14  0.45  2.51  
29  291  O    15  0.46  2.10  
30  297  HB2  15  0.46  2.10  
31  298  HA   16  0.47  2.50  
32  305  SG   16  0.47  2.50  
33  315  HA   17  0.44  2.53  
34  322  SG   17  0.44  2.53  
#
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   15  OH  CZ  1.38  1.42  380  0.02  -2.28  0.00  
 2   15  OH  S   1.51  1.58   38  0.02  -4.70  0.03  
 3   32  OH  CZ  1.37  1.42  380  0.02  -3.04  0.01  
 4   32  OH  S   1.49  1.58   38  0.02  -6.02  0.05  
 5   49  OH  CZ  1.38  1.42  380  0.02  -2.41  0.00  
 6   49  OH  S   1.51  1.58   38  0.02  -4.79  0.04  
 7   66  OH  CZ  1.38  1.42  380  0.02  -2.78  0.00  
 8   66  OH  S   1.50  1.58   38  0.02  -5.14  0.04  
 9   83  OH  CZ  1.39  1.42  380  0.02  -2.20  0.00  
10   83  OH  S   1.51  1.58   38  0.02  -4.43  0.03  
11  100  OH  S   1.52  1.58   38  0.02  -4.16  0.03  
12  117  OH  CZ  1.39  1.42  380  0.02  -2.06  0.00  
13  117  OH  S   1.51  1.58   38  0.02  -4.49  0.03  
14  134  OH  CZ  1.38  1.42  380  0.02  -2.77  0.00  
15  134  OH  S   1.50  1.58   38  0.02  -5.06  0.04  
16  151  OH  CZ  1.37  1.42  380  0.02  -3.25  0.01  
17  151  OH  S   1.50  1.58   38  0.02  -5.14  0.04  
18  168  OH  CZ  1.38  1.42  380  0.02  -2.44  0.00  
19  168  OH  S   1.51  1.58   38  0.02  -4.73  0.03  
20  185  OH  CZ  1.38  1.42  380  0.02  -2.30  0.00  
21  185  OH  S   1.50  1.58   38  0.02  -4.84  0.04  
22  202  OH  CZ  1.39  1.42  380  0.02  -2.18  0.00  
23  202  OH  S   1.52  1.58   38  0.02  -4.02  0.02  
24  219  OH  CZ  1.39  1.42  380  0.02  -2.05  0.00  
25  219  OH  S   1.52  1.58   38  0.02  -3.95  0.02  
26  236  OH  CZ  1.38  1.42  380  0.02  -2.42  0.00  
27  236  OH  S   1.50  1.58   38  0.02  -5.15  0.04  
28  253  OH  CZ  1.38  1.42  380  0.02  -2.51  0.00  
29  253  OH  S   1.51  1.58   38  0.02  -4.46  0.03  
30  270  OH  CZ  1.38  1.42  380  0.02  -2.37  0.00  
31  270  OH  S   1.50  1.58   38  0.02  -5.05  0.04  
32  287  OH  CZ  1.38  1.42  380  0.02  -2.33  0.00  
33  287  OH  S   1.51  1.58   38  0.02  -4.46  0.03  
34  304  OH  CZ  1.38  1.42  380  0.02  -2.59  0.00  
35  304  OH  S   1.51  1.58   38  0.02  -4.59  0.03  
36  321  OH  CZ  1.38  1.42  380  0.02  -2.26  0.00  
37  321  OH  S   1.51  1.58   38  0.02  -4.68  0.03  
38  338  OH  S   1.51  1.58   38  0.02  -4.35  0.03  
#
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   15  O3  S  OH  110.65  105.83  21  2.41  2.00  0.17  
 2   49  O3  S  OH  110.74  105.83  21  2.41  2.04  0.07  
 3   66  O3  S  OH  110.91  105.83  21  2.41  2.11  0.09  
 4   83  O3  S  OH  110.95  105.83  21  2.41  2.13  0.14  
 5  100  O3  S  OH  111.22  105.83  21  2.41  2.24  0.41  
 6  134  O3  S  OH  110.88  105.83  21  2.41  2.10  0.06  
 7  185  O3  S  OH  111.16  105.83  21  2.41  2.21  0.35  
 8  202  O3  S  OH  111.07  105.83  21  2.41  2.18  0.25  
 9  253  O3  S  OH  110.77  105.83  21  2.41  2.05  0.05  
10  304  O3  S  OH  110.94  105.83  21  2.41  2.12  0.13  
11  321  O3  S  OH  110.78  105.83  21  2.41  2.06  0.03  
12  338  O3  S  OH  111.49  105.83  21  2.41  2.35  0.67  
#
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   49  CA  CB  CG  CD1    -0.66  89.12  10000  23.95   0.03  0.47  
 2   49  CA  CB  CG  CD2  -179.37  89.59  10000  23.95   0.09  0.54  
 3   66  C   CA  CB  CG    157.77  67.28     54  42.23   3.58  3.70  
 4   83  N   CA  CB  CG    -83.48  48.65     80  33.54   7.76  1.25  
 5   83  C   CA  CB  CG    154.38  66.53     54  38.99   6.97  3.70  
 6  100  CA  CB  CG  CD1  -140.86  52.03  10000  21.79   0.03  2.25  
 7  100  CA  CB  CG  CD2    38.56  52.06  10000  22.07   0.05  2.03  
 8  151  CA  CB  CG  CD1  -137.71  49.06  10000  21.54   0.00  2.79  
 9  151  CA  CB  CG  CD2    41.78  49.01  10000  21.82   0.07  2.48  
10  168  N   CA  CB  CG    -82.45  48.49     80  34.48   8.80  2.50  
11  168  C   CA  CB  CG    157.68  67.26     54  42.14   3.67  3.70  
12  168  CA  CB  CG  CD1  -151.18  61.88  10000  22.68   0.00  1.55  
13  168  CA  CB  CG  CD2    28.17  62.02  10000  22.87   0.03  1.58  
14  185  CA  CB  CG  CD1    38.83  51.81  10000  22.05   0.02  2.05  
15  185  CA  CB  CG  CD2  -141.88  53.00  10000  21.89   0.05  2.13  
16  202  CA  CB  CG  CD1  -143.62  54.64  10000  22.06   0.06  2.01  
17  202  CA  CB  CG  CD2    36.55  53.97  10000  22.25   0.03  1.89  
18  219  C   CA  CB  CG    158.43  67.43     54  42.86   2.92  3.70  
19  219  CA  CB  CG  CD1  -143.74  54.76  10000  22.07   0.00  2.00  
20  219  CA  CB  CG  CD2    35.06  55.38  10000  22.40   0.04  1.91  
21  236  CA  CB  CG  CD1  -172.58  82.82  10000  23.87   0.13  0.98  
22  236  CA  CB  CG  CD2     7.23  82.57  10000  23.89   0.07  0.79  
23  270  N   CA  CB  CG    -85.58  48.96     80  31.65   5.66  1.25  
24  270  C   CA  CB  CG    152.72  66.16     54  37.41   8.63  1.85  
25  304  N   CA  CB  CG    -89.00  49.47     80  28.62   2.25  1.25  
26  304  C   CA  CB  CG    149.65  65.48     54  34.49  11.70  0.00  
27  321  CA  CB  CG  CD1  -152.48  63.13  10000  22.80   0.00  1.54  
28  321  CA  CB  CG  CD2    27.07  63.09  10000  22.96   0.01  1.61  
29  338  N   CA  CB  CG    -85.20  48.91     80  31.99   6.04  1.25  
30  338  C   CA  CB  CG    153.35  66.30     54  38.01   8.00  3.70  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  2        ?     
 3  2        ?     
 4  1        ?     
 5  2        True  
 6  1        ?     
 7  outlier  ?     
 8  outlier  ?     
 9  outlier  ?     
10  2        ?     
11  1        ?     
12  1        ?     
13  1        True  
14  1        ?     
15  1        ?     
16  1        ?     
17  1        ?     
18  1        ?     
19  1        ?     
20  2        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  12
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.250
_pdbx_vrpt_cyrange_domain.medoid_model        6
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.286
_pdbx_vrpt_cyrange_domain.residue_string      A:3-A:14
#
_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                        CX0002.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           140
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           140
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            140
_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  0.050  
 2  A  CYS   2  0.050  
 3  A  CYS   3  0.046  
 4  A  SER   4  0.042  
 5  A  ASP   5  0.039  
 6  A  PRO   6  0.040  
 7  A  ARG   7  0.039  
 8  A  CYS   8  0.037  
 9  A  ASN   9  0.035  
10  A  MET  10  0.040  
11  A  ASN  11  0.057  
12  A  ASN  12  0.087  
13  A  PRO  13  0.115  
14  A  ASP  14  0.137  
15  A  CYS  16  0.151  
#
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  15  
3  CB  0.50  0.00  0.00  14  
4  N   0.50  0.00  0.00  10  
#
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  112  28  140  overall    Total  
 2   43  13   56  backbone   Total  
 3   69  15   84  sidechain  Total  
 4   68   6   74  overall    H      
 5   22   0   22  backbone   H      
 6   46   6   52  sidechain  H      
 7   32  18   50  overall    C      
 8   12  12   24  backbone   C      
 9   20   6   26  sidechain  C      
10   12   4   16  overall    N      
11    9   1   10  backbone   N      
12    3   3    6  sidechain  N      
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1  127  35  162  overall    Total  
 2   52  20   72  backbone   Total  
 3   75  15   90  sidechain  Total  
 4   77   8   85  overall    H      
 5   27   2   29  backbone   H      
 6   50   6   56  sidechain  H      
 7   37  21   58  overall    C      
 8   15  15   30  backbone   C      
 9   22   6   28  sidechain  C      
10   13   6   19  overall    N      
11   10   3   13  backbone   N      
12    3   3    6  sidechain  N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    142  
 2  "Intra-residue (|i-j|=0)"                       33  
 3  "Sequential (|i-j|=1)"                          50  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            37  
 5  "Long range (|i-j|>=5)"                         14  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 8  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               24  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             9.8  
12  "Number of long range restraints per residue"  0.8  
#
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   23.2  0  0.0  0.0  1  0.7   3.0  
 2  Intra-residue  BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0   0.0  
 3  Intra-residue  BackboneSidechain    27   19.0  0  0.0  0.0  1  0.7   3.7  
 4  Intra-residue  SidechainSidechain    6    4.2  0  0.0  0.0  0  0.0   0.0  
 5  Sequential     all                  50   35.2  0  0.0  0.0  0  0.0   0.0  
 6  Sequential     BackboneBackbone      5    3.5  0  0.0  0.0  0  0.0   0.0  
 7  Sequential     BackboneSidechain    31   21.8  0  0.0  0.0  0  0.0   0.0  
 8  Sequential     SidechainSidechain   14    9.9  0  0.0  0.0  0  0.0   0.0  
 9  MediumRange    all                  37   26.1  0  0.0  0.0  3  2.1   8.1  
10  MediumRange    BackboneBackbone      7    4.9  0  0.0  0.0  0  0.0   0.0  
11  MediumRange    BackboneSidechain    17   12.0  0  0.0  0.0  2  1.4  11.8  
12  MediumRange    SidechainSidechain   13    9.2  0  0.0  0.0  1  0.7   7.7  
13  LongRange      all                  14    9.9  0  0.0  0.0  1  0.7   7.1  
14  LongRange      BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0   0.0  
15  LongRange      BackboneSidechain     3    2.1  0  0.0  0.0  1  0.7  33.3  
16  LongRange      SidechainSidechain   11    7.7  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                   8    5.6  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                 142  100.0  0  0.0  0.0  5  3.5   3.5  
24  Total          BackboneBackbone     12    8.5  0  0.0  0.0  0  0.0   0.0  
25  Total          BackboneSidechain    78   54.9  0  0.0  0.0  4  2.8   5.1  
26  Total          SidechainSidechain   44   31.0  0  0.0  0.0  1  0.7   2.3  
#
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  0.11  0.11  0.11  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.11  0.11  0.11  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.12  0.12  0.12  0.00  
 8   8  0.12  0.12  0.12  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.12  0.12  0.12  0.00  
11  11  0.13  0.12  0.12  0.01  
12  12  0.10  0.10  0.10  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.11  0.11  0.11  0.00  
15  15  0.11  0.11  0.11  0.00  
16  16  0.15  0.15  0.15  0.00  
17  17  0.10  0.10  0.10  0.00  
18  18  0.11  0.11  0.11  0.00  
19  19  0.18  0.18  0.18  0.00  
20  20  0.13  0.13  0.13  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  1  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         1  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        1  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         1  
 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        1  
 40   7  long          1  
 41   7  interchain    0  
 42   7  total         2  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        1  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         1  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        1  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         1  
 61  11  intraresidue  1  
 62  11  sequential    0  
 63  11  medium        1  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         2  
 67  12  intraresidue  1  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         1  
 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        1  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  1  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         1  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        1  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         1  
 97  17  intraresidue  1  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         1  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        1  
106  18  long          0  
107  18  interchain    0  
108  18  total         1  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        1  
112  19  long          0  
113  19  interchain    0  
114  19  total         1  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        1  
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    0  
  3   1  medium        1  
  4   1  long          1  
  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  1  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         1  
 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        1  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_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   0.7   
2  0.2-0.5  None  None  
3  >0.5     None  None  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
1  71  1  .  A   5  ASP  ?     1  A   5  HB3  A  .   7  ARG   7  A  1  ?     H    7  0.12  0.12  0.01  
2  33  1  .  A  15  TYS  ?     1  A  15  HA   A  .  15  TYS  15  A  1  ?     HE1  5  0.11  0.11  0.00  
3  33  1  .  A  15  TYS  ?     1  A  15  HA   A  .  15  TYS  15  A  1  ?     HE2  5  0.11  0.11  0.00  
4  93  1  .  A  14  ASP  ?     1  A  14  HA   A  .  17  NH2  17  A  1  ?     HN2  2  0.16  0.16  0.01  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1   93  1  320  323  HA   HN2   0.18  
 2   93  1  269  272  HA   HN2   0.15  
 3   71  1  175  177  HB3  H     0.13  
 4   71  1  328  330  HB3  H     0.13  
 5  112  1  127  130  HB3  HD21  0.12  
 6   71  1  107  109  HB3  H     0.12  
 7   71  1  158  160  HB3  H     0.12  
 8   87  1  105  110  HA   HB3   0.11  
 9   71  1   56   58  HB3  H     0.11  
10   71  1  226  228  HB3  H     0.11  
11   71  1  294  296  HB3  H     0.11  
12   33  1   15   15  HA   HE1   0.11  
13   33  1   15   15  HA   HE2   0.11  
14   33  1  185  185  HA   HE1   0.11  
15   33  1  185  185  HA   HE2   0.11  
16   33  1  253  253  HA   HE1   0.11  
17   33  1  253  253  HA   HE2   0.11  
18   33  1  202  202  HA   HE1   0.10  
19   33  1  202  202  HA   HE2   0.10  
20   33  1  287  287  HA   HE1   0.10  
21   33  1  287  287  HA   HE2   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     9   37.5  0  0.0  0.0  1   4.2  11.1  
2  PSI    11   45.8  0  0.0  0.0  2   8.3  18.2  
3  CHI1    4   16.7  0  0.0  0.0  0   0.0   0.0  
4  Total  24  100.0  0  0.0  0.0  3  12.5  12.5  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  1.19  1.19  1.19  0.00  
 2   2  1.44  1.44  1.44  0.00  
 3   3  1.41  1.41  1.41  0.00  
 4   4  1.26  1.26  1.26  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  1.84  1.84  1.84  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  1.03  1.03  1.03  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  1.07  1.07  1.07  0.00  
17  17  1.68  1.68  1.68  0.00  
18  18  1.32  1.32  1.32  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  1.52  1.52  1.52  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    1  
 3   1  CHI1   0  
 4   1  Total  1  
 5   2  PHI    0  
 6   2  PSI    1  
 7   2  CHI1   0  
 8   2  Total  1  
 9   3  PHI    0  
10   3  PSI    1  
11   3  CHI1   0  
12   3  Total  1  
13   4  PHI    0  
14   4  PSI    1  
15   4  CHI1   0  
16   4  Total  1  
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    1  
27   7  CHI1   0  
28   7  Total  1  
29   8  PHI    0  
30   8  PSI    0  
31   8  CHI1   0  
32   8  Total  0  
33   9  PHI    1  
34   9  PSI    0  
35   9  CHI1   0  
36   9  Total  1  
37  10  PHI    0  
38  10  PSI    0  
39  10  CHI1   0  
40  10  Total  0  
41  11  PHI    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    0  
55  14  CHI1   0  
56  14  Total  0  
57  15  PHI    0  
58  15  PSI    0  
59  15  CHI1   0  
60  15  Total  0  
61  16  PHI    0  
62  16  PSI    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    1  
71  18  CHI1   0  
72  18  Total  1  
73  19  PHI    0  
74  19  PSI    0  
75  19  CHI1   0  
76  19  Total  0  
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    1  
 2   1  PSI    1  
 3   1  CHI1   0  
 4   1  Total  2  
 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    1  
31   8  CHI1   0  
32   8  Total  1  
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    0  
55  14  CHI1   0  
56  14  Total  0  
57  15  PHI    0  
58  15  PSI    0  
59  15  CHI1   0  
60  15  Total  0  
61  16  PHI    0  
62  16  PSI    0  
63  16  CHI1   0  
64  16  Total  0  
65  17  PHI    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   1.8   0.5   
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               17
_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              11
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1             ASN
_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                 11
_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              11
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2             ASN
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2                 11
_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              11
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3             ASN
_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                 11
_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              12
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4             ASN
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4                 12
_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       8
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation  1.38
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation      1.36
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation    0.22
#
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  17  1  113  113  113  114  N  CA  C   N  1.84  
 2  21  1  285  285  285  286  N  CA  C   N  1.68  
 3  17  1  334  334  334  335  N  CA  C   N  1.52  
 4  17  1   28   28   28   29  N  CA  C   N  1.44  
 5  17  1   45   45   45   46  N  CA  C   N  1.41  
 6  17  1  300  300  300  301  N  CA  C   N  1.32  
 7  17  1   62   62   62   63  N  CA  C   N  1.26  
 8  17  1   11   11   11   12  N  CA  C   N  1.19  
 9  17  1  266  266  266  267  N  CA  C   N  1.07  
10  14  1  145  146  146  146  C  N   CA  C  1.03  
#
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  
##
