data_2LQY

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2LQY   
BMRB  18335  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2LQY
_pdbx_vrpt_summary.PDB_deposition_date         2012-03-19
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:08:08
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Envelope glycoprotein H"
#
_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   81.82  158937  ?     ?     
2  2  1   75.61   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3    0.29  154315  ?     ?     
6  2  3    3.52   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  1.52  
 2  4  2  A   1  1  A  1.52  
 3  5  3  A   1  1  A  1.05  
 4  6  3  A   1  1  A  1.05  
 5  3  2  A   2  1  A  0.32  
 6  4  2  A   2  1  A  0.32  
 7  5  3  A   2  1  A  0.03  
 8  6  3  A   2  1  A  0.03  
 9  3  2  A   3  1  A  1.52  
10  4  2  A   3  1  A  1.52  
11  5  3  A   3  1  A  0.11  
12  6  3  A   3  1  A  0.11  
13  3  2  A   4  1  A  1.52  
14  4  2  A   4  1  A  1.52  
15  5  3  A   4  1  A  1.05  
16  6  3  A   4  1  A  1.05  
17  3  2  A   5  1  A  1.52  
18  4  2  A   5  1  A  1.52  
19  5  3  A   5  1  A  0.11  
20  6  3  A   5  1  A  0.11  
21  3  2  A   6  1  A  1.52  
22  4  2  A   6  1  A  1.52  
23  5  3  A   6  1  A  0.31  
24  6  3  A   6  1  A  0.31  
25  3  2  A   7  1  A  1.52  
26  4  2  A   7  1  A  1.52  
27  5  3  A   7  1  A  0.11  
28  6  3  A   7  1  A  0.11  
29  3  2  A   8  1  A  0.32  
30  4  2  A   8  1  A  0.32  
31  5  3  A   8  1  A  0.31  
32  6  3  A   8  1  A  0.31  
33  3  2  A   9  1  A  0.32  
34  4  2  A   9  1  A  0.32  
35  5  3  A   9  1  A  0.31  
36  6  3  A   9  1  A  0.31  
37  3  2  A  10  1  A  0.32  
38  4  2  A  10  1  A  0.32  
39  5  3  A  10  1  A  0.01  
40  6  3  A  10  1  A  0.01  
41  3  2  A  11  1  A  1.52  
42  4  2  A  11  1  A  1.52  
43  5  3  A  11  1  A  0.03  
44  6  3  A  11  1  A  0.03  
45  3  2  A  12  1  A  0.32  
46  4  2  A  12  1  A  0.32  
47  5  3  A  12  1  A  1.05  
48  6  3  A  12  1  A  1.05  
49  3  2  A  13  1  A  1.52  
50  4  2  A  13  1  A  1.52  
51  5  3  A  13  1  A  0.03  
52  6  3  A  13  1  A  0.03  
53  3  2  A  14  1  A  1.52  
54  4  2  A  14  1  A  1.52  
55  5  3  A  14  1  A  0.01  
56  6  3  A  14  1  A  0.01  
57  3  2  A  15  1  A  1.52  
58  4  2  A  15  1  A  1.52  
59  5  3  A  15  1  A  0.11  
60  6  3  A  15  1  A  0.11  
61  3  2  A  16  1  A  1.52  
62  4  2  A  16  1  A  1.52  
63  5  3  A  16  1  A  0.03  
64  6  3  A  16  1  A  0.03  
65  3  2  A  17  1  A  1.52  
66  4  2  A  17  1  A  1.52  
67  5  3  A  17  1  A  0.11  
68  6  3  A  17  1  A  0.11  
69  3  2  A  18  1  A  1.52  
70  4  2  A  18  1  A  1.52  
71  5  3  A  18  1  A  0.01  
72  6  3  A  18  1  A  0.01  
73  3  2  A  19  1  A  1.52  
74  4  2  A  19  1  A  1.52  
75  5  3  A  19  1  A  0.01  
76  6  3  A  19  1  A  0.01  
77  3  2  A  20  1  A  1.52  
78  4  2  A  20  1  A  1.52  
79  5  3  A  20  1  A  0.11  
80  6  3  A  20  1  A  0.11  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  1.03  0.83  168  228  
 2   2  1  A  A  1.07  0.80  168  228  
 3   3  1  A  A  1.03  0.81  168  228  
 4   4  1  A  A  0.95  0.90  168  228  
 5   5  1  A  A  1.08  0.79  168  228  
 6   6  1  A  A  1.04  0.83  168  228  
 7   7  1  A  A  1.09  0.93  168  228  
 8   8  1  A  A  1.00  0.80  168  228  
 9   9  1  A  A  1.05  0.81  168  228  
10  10  1  A  A  0.99  0.80  168  228  
11  11  1  A  A  1.10  0.82  168  228  
12  12  1  A  A  1.06  0.91  168  228  
13  13  1  A  A  0.99  0.83  168  228  
14  14  1  A  A  1.07  0.85  168  228  
15  15  1  A  A  0.99  0.80  168  228  
16  16  1  A  A  1.09  0.93  168  228  
17  17  1  A  A  1.02  0.93  168  228  
18  18  1  A  A  1.05  0.87  168  228  
19  19  1  A  A  1.01  0.89  168  228  
20  20  1  A  A  1.04  0.92  168  228  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  6.94
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   42.22
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       34.33
_pdbx_vrpt_summary_geometry.clashscore                                 2.46
_pdbx_vrpt_summary_geometry.clashscore_full_length                     3.08
_pdbx_vrpt_summary_geometry.num_H_reduce                               3240
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             3360
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.85
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            4560
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.04
#
_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            3
_pdbx_vrpt_summary_nmr.medoid_model                             3
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              1
_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              36.88
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  36.33
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_plane_outliers
  1   1  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
  2   1  1  A   2  GLY  A   2  .  ?        ?     ?     1  
  3   1  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
  4   1  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
  5   1  1  A   5  SER  A   5  .  ?        ?     ?     ?  
  6   1  1  A   6  THR  A   6  .  ?        ?     ?     ?  
  7   1  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
  8   1  1  A   8  THR  A   8  .  ?        ?     ?     ?  
  9   1  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 10   1  1  A  10  TRP  A  10  .  ?        ?     1     ?  
 11   1  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
 12   1  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
 13   1  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
 14   1  1  A  14  ASN  A  14  .  ?        ?     1     ?  
 15   1  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
 16   1  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
 17   1  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
 18   1  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 19   1  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
 20   1  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
 21   2  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
 22   2  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
 23   2  1  A   3  LEU  A   3  .  ?        ?     1     ?  
 24   2  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
 25   2  1  A   5  SER  A   5  .  ?        ?     ?     ?  
 26   2  1  A   6  THR  A   6  .  ?        ?     1     ?  
 27   2  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
 28   2  1  A   8  THR  A   8  .  ?        ?     ?     ?  
 29   2  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 30   2  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
 31   2  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
 32   2  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
 33   2  1  A  13  TYR  A  13  .  ?        1     ?     ?  
 34   2  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
 35   2  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
 36   2  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
 37   2  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
 38   2  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 39   2  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
 40   2  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
 41   3  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
 42   3  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
 43   3  1  A   3  LEU  A   3  .  ?        ?     1     ?  
 44   3  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
 45   3  1  A   5  SER  A   5  .  ?        ?     ?     ?  
 46   3  1  A   6  THR  A   6  .  ?        ?     1     ?  
 47   3  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
 48   3  1  A   8  THR  A   8  .  ?        ?     ?     ?  
 49   3  1  A   9  ARG  A   9  .  ?        1     ?     ?  
 50   3  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
 51   3  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
 52   3  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
 53   3  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
 54   3  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
 55   3  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
 56   3  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
 57   3  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
 58   3  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 59   3  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
 60   3  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
 61   4  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
 62   4  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
 63   4  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
 64   4  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
 65   4  1  A   5  SER  A   5  .  ?        ?     ?     ?  
 66   4  1  A   6  THR  A   6  .  ?        ?     ?     ?  
 67   4  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
 68   4  1  A   8  THR  A   8  .  ?        ?     ?     ?  
 69   4  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 70   4  1  A  10  TRP  A  10  .  ?        ?     1     ?  
 71   4  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
 72   4  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
 73   4  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
 74   4  1  A  14  ASN  A  14  .  ?        ?     1     ?  
 75   4  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
 76   4  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
 77   4  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
 78   4  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 79   4  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
 80   4  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
 81   5  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
 82   5  1  A   2  GLY  A   2  .  ?        ?     ?     1  
 83   5  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
 84   5  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
 85   5  1  A   5  SER  A   5  .  ?        ?     ?     ?  
 86   5  1  A   6  THR  A   6  .  ?        ?     ?     ?  
 87   5  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
 88   5  1  A   8  THR  A   8  .  ?        ?     ?     ?  
 89   5  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 90   5  1  A  10  TRP  A  10  .  ?        ?     1     ?  
 91   5  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
 92   5  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
 93   5  1  A  13  TYR  A  13  .  ?        1     ?     ?  
 94   5  1  A  14  ASN  A  14  .  ?        ?     1     ?  
 95   5  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
 96   5  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
 97   5  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
 98   5  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 99   5  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
100   5  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
101   6  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
102   6  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
103   6  1  A   3  LEU  A   3  .  ?        ?     1     ?  
104   6  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
105   6  1  A   5  SER  A   5  .  ?        ?     ?     ?  
106   6  1  A   6  THR  A   6  .  ?        ?     1     ?  
107   6  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
108   6  1  A   8  THR  A   8  .  ?        ?     ?     ?  
109   6  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
110   6  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
111   6  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
112   6  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
113   6  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
114   6  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
115   6  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
116   6  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
117   6  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
118   6  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
119   6  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
120   6  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
121   7  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
122   7  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
123   7  1  A   3  LEU  A   3  .  ?        ?     1     ?  
124   7  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
125   7  1  A   5  SER  A   5  .  ?        ?     ?     ?  
126   7  1  A   6  THR  A   6  .  ?        ?     1     ?  
127   7  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
128   7  1  A   8  THR  A   8  .  ?        ?     ?     ?  
129   7  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
130   7  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
131   7  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
132   7  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
133   7  1  A  13  TYR  A  13  .  ?        1     ?     ?  
134   7  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
135   7  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
136   7  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
137   7  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
138   7  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
139   7  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
140   7  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
141   8  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
142   8  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
143   8  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
144   8  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
145   8  1  A   5  SER  A   5  .  ?        ?     ?     ?  
146   8  1  A   6  THR  A   6  .  ?        ?     ?     ?  
147   8  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
148   8  1  A   8  THR  A   8  .  ?        ?     ?     ?  
149   8  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
150   8  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
151   8  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
152   8  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
153   8  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
154   8  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
155   8  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
156   8  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
157   8  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
158   8  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
159   8  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
160   8  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
161   9  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
162   9  1  A   2  GLY  A   2  .  ?        ?     ?     1  
163   9  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
164   9  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
165   9  1  A   5  SER  A   5  .  ?        ?     ?     ?  
166   9  1  A   6  THR  A   6  .  ?        ?     ?     ?  
167   9  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
168   9  1  A   8  THR  A   8  .  ?        ?     ?     ?  
169   9  1  A   9  ARG  A   9  .  ?        1     ?     ?  
170   9  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
171   9  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
172   9  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
173   9  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
174   9  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
175   9  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
176   9  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
177   9  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
178   9  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
179   9  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
180   9  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
181  10  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
182  10  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
183  10  1  A   3  LEU  A   3  .  ?        ?     1     ?  
184  10  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
185  10  1  A   5  SER  A   5  .  ?        ?     ?     ?  
186  10  1  A   6  THR  A   6  .  ?        ?     1     ?  
187  10  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
188  10  1  A   8  THR  A   8  .  ?        ?     ?     ?  
189  10  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
190  10  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
191  10  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
192  10  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
193  10  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
194  10  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
195  10  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
196  10  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
197  10  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
198  10  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
199  10  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
200  10  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
201  11  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
202  11  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
203  11  1  A   3  LEU  A   3  .  ?        ?     1     ?  
204  11  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
205  11  1  A   5  SER  A   5  .  ?        ?     ?     ?  
206  11  1  A   6  THR  A   6  .  ?        ?     1     ?  
207  11  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
208  11  1  A   8  THR  A   8  .  ?        ?     ?     ?  
209  11  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
210  11  1  A  10  TRP  A  10  .  ?        ?     1     ?  
211  11  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
212  11  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
213  11  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
214  11  1  A  14  ASN  A  14  .  ?        ?     1     ?  
215  11  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
216  11  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
217  11  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
218  11  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
219  11  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
220  11  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
221  12  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
222  12  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
223  12  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
224  12  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
225  12  1  A   5  SER  A   5  .  ?        ?     ?     ?  
226  12  1  A   6  THR  A   6  .  ?        ?     ?     ?  
227  12  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
228  12  1  A   8  THR  A   8  .  ?        ?     ?     ?  
229  12  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
230  12  1  A  10  TRP  A  10  .  ?        ?     1     ?  
231  12  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
232  12  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
233  12  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
234  12  1  A  14  ASN  A  14  .  ?        ?     1     ?  
235  12  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
236  12  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
237  12  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
238  12  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
239  12  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
240  12  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
241  13  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
242  13  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
243  13  1  A   3  LEU  A   3  .  ?        ?     1     ?  
244  13  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
245  13  1  A   5  SER  A   5  .  ?        ?     ?     ?  
246  13  1  A   6  THR  A   6  .  ?        ?     1     ?  
247  13  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
248  13  1  A   8  THR  A   8  .  ?        ?     ?     ?  
249  13  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
250  13  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
251  13  1  A  11  ALA  A  11  .  ?        ?     1     ?  
252  13  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
253  13  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
254  13  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
255  13  1  A  15  ALA  A  15  .  ?        ?     1     ?  
256  13  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
257  13  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
258  13  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
259  13  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
260  13  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
261  14  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
262  14  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
263  14  1  A   3  LEU  A   3  .  ?        ?     1     ?  
264  14  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
265  14  1  A   5  SER  A   5  .  ?        ?     ?     ?  
266  14  1  A   6  THR  A   6  .  ?        ?     1     ?  
267  14  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
268  14  1  A   8  THR  A   8  .  ?        ?     ?     ?  
269  14  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
270  14  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
271  14  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
272  14  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
273  14  1  A  13  TYR  A  13  .  ?        1     ?     ?  
274  14  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
275  14  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
276  14  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
277  14  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
278  14  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
279  14  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
280  14  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
281  15  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
282  15  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
283  15  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
284  15  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
285  15  1  A   5  SER  A   5  .  ?        ?     ?     ?  
286  15  1  A   6  THR  A   6  .  ?        ?     ?     ?  
287  15  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
288  15  1  A   8  THR  A   8  .  ?        ?     ?     ?  
289  15  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
290  15  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
291  15  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
292  15  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
293  15  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
294  15  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
295  15  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
296  15  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
297  15  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
298  15  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
299  15  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
300  15  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
301  16  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
302  16  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
303  16  1  A   3  LEU  A   3  .  ?        ?     1     ?  
304  16  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
305  16  1  A   5  SER  A   5  .  ?        ?     ?     ?  
306  16  1  A   6  THR  A   6  .  ?        ?     1     ?  
307  16  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
308  16  1  A   8  THR  A   8  .  ?        ?     ?     ?  
309  16  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
310  16  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
311  16  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
312  16  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
313  16  1  A  13  TYR  A  13  .  ?        1     ?     ?  
314  16  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
315  16  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
316  16  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
317  16  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
318  16  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
319  16  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
320  16  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
321  17  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
322  17  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
323  17  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
324  17  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
325  17  1  A   5  SER  A   5  .  ?        ?     ?     ?  
326  17  1  A   6  THR  A   6  .  ?        ?     ?     ?  
327  17  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
328  17  1  A   8  THR  A   8  .  ?        ?     ?     ?  
329  17  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
330  17  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
331  17  1  A  11  ALA  A  11  .  ?        ?     1     ?  
332  17  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
333  17  1  A  13  TYR  A  13  .  ?        ?     1     ?  
334  17  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
335  17  1  A  15  ALA  A  15  .  ?        ?     1     ?  
336  17  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
337  17  1  A  17  ILE  A  17  .  ?        ?     1     ?  
338  17  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
339  17  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
340  17  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
341  18  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
342  18  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
343  18  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
344  18  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
345  18  1  A   5  SER  A   5  .  ?        ?     ?     ?  
346  18  1  A   6  THR  A   6  .  ?        ?     ?     ?  
347  18  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
348  18  1  A   8  THR  A   8  .  ?        ?     ?     ?  
349  18  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
350  18  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
351  18  1  A  11  ALA  A  11  .  ?        ?     1     ?  
352  18  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
353  18  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
354  18  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
355  18  1  A  15  ALA  A  15  .  ?        ?     1     ?  
356  18  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
357  18  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
358  18  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
359  18  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
360  18  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
361  19  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
362  19  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
363  19  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
364  19  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
365  19  1  A   5  SER  A   5  .  ?        ?     ?     ?  
366  19  1  A   6  THR  A   6  .  ?        ?     ?     ?  
367  19  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
368  19  1  A   8  THR  A   8  .  ?        ?     ?     ?  
369  19  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
370  19  1  A  10  TRP  A  10  .  ?        ?     1     ?  
371  19  1  A  11  ALA  A  11  .  ?        ?     ?     ?  
372  19  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
373  19  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
374  19  1  A  14  ASN  A  14  .  ?        ?     1     ?  
375  19  1  A  15  ALA  A  15  .  ?        ?     ?     ?  
376  19  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
377  19  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
378  19  1  A  18  ARG  A  18  .  ?        1     ?     ?  
379  19  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
380  19  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
381  20  1  A   1  HIS  A   1  .  ?        ?     ?     ?  
382  20  1  A   2  GLY  A   2  .  ?        ?     ?     ?  
383  20  1  A   3  LEU  A   3  .  ?        ?     ?     ?  
384  20  1  A   4  ALA  A   4  .  ?        ?     ?     ?  
385  20  1  A   5  SER  A   5  .  ?        ?     ?     ?  
386  20  1  A   6  THR  A   6  .  ?        ?     ?     ?  
387  20  1  A   7  LEU  A   7  .  ?        ?     ?     ?  
388  20  1  A   8  THR  A   8  .  ?        ?     ?     ?  
389  20  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
390  20  1  A  10  TRP  A  10  .  ?        ?     ?     ?  
391  20  1  A  11  ALA  A  11  .  ?        ?     1     ?  
392  20  1  A  12  HIS  A  12  .  ?        ?     ?     ?  
393  20  1  A  13  TYR  A  13  .  ?        ?     ?     ?  
394  20  1  A  14  ASN  A  14  .  ?        ?     ?     ?  
395  20  1  A  15  ALA  A  15  .  ?        ?     1     ?  
396  20  1  A  16  LEU  A  16  .  ?        ?     ?     ?  
397  20  1  A  17  ILE  A  17  .  ?        ?     ?     ?  
398  20  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
399  20  1  A  19  ALA  A  19  .  ?        ?     ?     ?  
400  20  1  A  20  PHE  A  20  .  ?        ?     ?     ?  
#
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  m80           ?       ?  ?         9  11  1.31  15  0.78  molprobity     ?  False  
  2    2  ?        -179.7   -88.2  OUTLIER   3   4  0.85   5  1.08  molprobity     ?  False  
  3    3  pt?       -63.2   -37.0  Favored  11   8  0.52  11  0.70  molprobity     1  True   
  4    4  ?         -55.9   -24.8  Favored   5   5  0.61   7  0.81  molprobity     1  True   
  5    5  t        -103.5   -24.9  Favored   5   6  0.55   8  0.68  molprobity     1  True   
  6    6  m         -56.3   -27.7  Favored   7   7  0.61  10  0.46  molprobity     1  True   
  7    7  mt        -91.2     8.0  Favored  11   8  0.47  11  0.74  molprobity     1  True   
  8    8  m        -106.1   -12.0  Favored   7   7  0.60  10  0.65  molprobity     1  True   
  9    9  OUTLIER  -107.4   -54.5  Favored  13  11  0.51  14  1.68  molprobity     1  True   
 10   10  OUTLIER   -56.4   -29.6  Favored  10  16  1.45  23  1.35  molprobity     1  True   
 11   11  ?         -72.0    -0.2  Favored   5   5  0.66   7  0.88  molprobity     1  True   
 12   12  t60      -105.3    -9.9  Favored   7  11  1.34  15  1.10  molprobity     1  True   
 13   13  OUTLIER   -95.5   -68.7  Allowed   9  13  0.40  18  1.38  molprobity     1  True   
 14   14  t30       -62.4    -9.8  Favored   6   8  0.60  11  0.54  molprobity     ?  False  
 15   15  ?         -50.6   -27.0  Favored   5   5  0.62   7  0.77  molprobity     ?  False  
 16   16  mt       -104.1   -30.0  Favored  11   8  0.48  11  0.82  molprobity     ?  False  
 17   17  mt        -83.3     9.6  Allowed  11   8  0.71  11  0.78  molprobity     ?  False  
 18   18  ttt180    -93.9   145.0  Favored  13  11  0.44  14  1.33  molprobity     ?  False  
 19   19  ?        -120.6   -56.5  Allowed   5   5  0.48   7  0.66  molprobity     ?  False  
 20   20  t80           ?       ?  ?         9  11  0.76  13  0.96  molprobity     ?  False  
 21   21  t-80          ?       ?  ?         9  11  1.22  15  0.79  molprobity     ?  False  
 22   22  ?        -179.1   -83.9  OUTLIER   3   4  0.91   5  0.65  molprobity     ?  False  
 23   23  pt?       -64.7   -35.5  Favored  11   8  0.49  11  0.61  molprobity     1  True   
 24   24  ?         -55.8   -25.3  Favored   5   5  0.61   7  0.77  molprobity     1  True   
 25   25  t         -96.0   -26.1  Favored   5   6  0.53   8  0.63  molprobity     1  True   
 26   26  OUTLIER   -59.1   -28.8  Favored   7   7  0.69  10  1.41  molprobity     1  True   
 27   27  mt        -90.4     4.8  Favored  11   8  0.39  11  0.81  molprobity     1  True   
 28   28  m        -107.6    -8.3  Favored   7   7  0.52  10  0.57  molprobity     1  True   
 29   29  OUTLIER  -107.6   -51.1  Favored  13  11  0.44  14  1.60  molprobity     1  True   
 30   30  OUTLIER   -59.9   -29.1  Favored  10  16  1.37  23  1.31  molprobity     1  True   
 31   31  ?         -72.1     2.3  Favored   5   5  0.56   7  0.57  molprobity     1  True   
 32   32  m170     -107.7     8.9  Favored   7  11  1.29  15  0.77  molprobity     1  True   
 33   33  m-85     -117.5   -75.9  Allowed   9  13  0.41  18  1.66  molprobity     1  True   
 34   34  t30       -54.9   -23.0  Favored   6   8  0.59  11  0.47  molprobity     ?  False  
 35   35  ?         -52.8   -41.6  Favored   5   5  0.55   7  0.56  molprobity     ?  False  
 36   36  OUTLIER  -110.3   -22.5  Favored  11   8  0.52  11  0.63  molprobity     ?  False  
 37   37  mm        -87.3    11.4  Allowed  11   8  0.68  11  1.04  molprobity     ?  False  
 38   38  OUTLIER   -66.3   148.7  Favored  13  11  0.53  14  1.26  molprobity     ?  False  
 39   39  ?        -172.3   -55.0  OUTLIER   5   5  0.61   7  0.74  molprobity     ?  False  
 40   40  OUTLIER       ?       ?  ?         9  11  0.75  13  1.35  molprobity     ?  False  
 41   41  m-70          ?       ?  ?         9  11  1.24  15  0.82  molprobity     ?  False  
 42   42  ?        -177.9   -82.7  OUTLIER   3   4  0.91   5  0.61  molprobity     ?  False  
 43   43  pt?       -64.9   -35.8  Favored  11   8  0.50  11  0.64  molprobity     1  True   
 44   44  ?         -56.3   -24.9  Favored   5   5  0.59   7  0.76  molprobity     1  True   
 45   45  t         -97.6   -24.4  Favored   5   6  0.51   8  0.61  molprobity     1  True   
 46   46  OUTLIER   -59.9   -28.9  Favored   7   7  0.71  10  1.42  molprobity     1  True   
 47   47  mt        -91.1     7.3  Favored  11   8  0.45  11  0.79  molprobity     1  True   
 48   48  m        -106.6   -13.1  Favored   7   7  0.62  10  0.62  molprobity     1  True   
 49   49  OUTLIER  -104.1   -53.2  Favored  13  11  0.54  14  1.86  molprobity     1  True   
 50   50  OUTLIER   -59.6   -29.9  Favored  10  16  1.39  23  1.32  molprobity     1  True   
 51   51  ?         -70.4    -2.5  Favored   5   5  0.61   7  0.74  molprobity     1  True   
 52   52  m170     -109.8    12.0  Favored   7  11  1.26  15  0.70  molprobity     1  True   
 53   53  m-85     -114.6   -65.9  Allowed   9  13  0.45  18  1.35  molprobity     1  True   
 54   54  p-10      -55.9   -20.5  Favored   6   8  0.60  11  0.47  molprobity     ?  False  
 55   55  ?         -52.3   -40.6  Favored   5   5  0.60   7  0.63  molprobity     ?  False  
 56   56  OUTLIER  -109.2   -27.7  Favored  11   8  0.50  11  0.63  molprobity     ?  False  
 57   57  mt        -83.6    14.0  Allowed  11   8  0.66  11  0.79  molprobity     ?  False  
 58   58  OUTLIER   -71.0  -177.3  Allowed  13  11  0.50  14  1.22  molprobity     ?  False  
 59   59  ?        -144.9    40.8  Allowed   5   5  0.53   7  1.12  molprobity     ?  False  
 60   60  t80           ?       ?  ?         9  11  0.75  13  0.85  molprobity     ?  False  
 61   61  m-70          ?       ?  ?         9  11  1.45  15  0.63  molprobity     ?  False  
 62   62  ?        -178.9   -87.5  OUTLIER   3   4  0.91   5  1.01  molprobity     ?  False  
 63   63  pt?       -64.0   -36.5  Favored  11   8  0.54  11  0.69  molprobity     1  True   
 64   64  ?         -56.6   -24.6  Favored   5   5  0.60   7  0.83  molprobity     1  True   
 65   65  t        -100.3   -27.3  Favored   5   6  0.57   8  0.56  molprobity     1  True   
 66   66  m         -55.2   -28.6  Favored   7   7  0.59  10  0.43  molprobity     1  True   
 67   67  OUTLIER   -86.5    -0.3  Favored  11   8  0.55  11  0.70  molprobity     1  True   
 68   68  m        -101.3   -13.2  Favored   7   7  0.63  10  0.70  molprobity     1  True   
 69   69  mtp180   -102.5   -54.8  Favored  13  11  0.49  14  0.97  molprobity     1  True   
 70   70  OUTLIER   -55.9   -30.9  Favored  10  16  1.60  23  1.35  molprobity     1  True   
 71   71  ?         -70.4    -1.6  Favored   5   5  0.60   7  0.80  molprobity     1  True   
 72   72  m170     -109.9    13.2  Favored   7  11  1.38  15  0.64  molprobity     1  True   
 73   73  t80      -117.9   -70.4  Allowed   9  13  0.53  18  1.25  molprobity     1  True   
 74   74  p-10      -60.4   -12.6  Favored   6   8  0.64  11  0.61  molprobity     ?  False  
 75   75  ?         -49.3   -26.0  Favored   5   5  0.57   7  0.86  molprobity     ?  False  
 76   76  mt       -104.7   -30.1  Favored  11   8  0.48  11  0.74  molprobity     ?  False  
 77   77  mm        -83.7    10.4  Allowed  11   8  0.73  11  1.03  molprobity     ?  False  
 78   78  OUTLIER  -166.1   151.4  Favored  13  11  0.45  14  1.44  molprobity     ?  False  
 79   79  ?        -132.0    52.5  Favored   5   5  0.58   7  1.21  molprobity     ?  False  
 80   80  t80           ?       ?  ?         9  11  0.95  13  0.98  molprobity     ?  False  
 81   81  m80           ?       ?  ?         9  11  1.18  15  0.70  molprobity     ?  False  
 82   82  ?        -179.2   -88.9  OUTLIER   3   4  0.89   5  1.07  molprobity     ?  False  
 83   83  pt?       -62.9   -36.8  Favored  11   8  0.52  11  0.73  molprobity     1  True   
 84   84  ?         -55.7   -24.8  Favored   5   5  0.59   7  0.82  molprobity     1  True   
 85   85  t        -104.9   -24.6  Favored   5   6  0.54   8  0.70  molprobity     1  True   
 86   86  m         -56.6   -27.3  Favored   7   7  0.61  10  0.48  molprobity     1  True   
 87   87  mt        -91.5     7.5  Favored  11   8  0.49  11  0.77  molprobity     1  True   
 88   88  m        -105.8   -12.7  Favored   7   7  0.59  10  0.74  molprobity     1  True   
 89   89  OUTLIER  -105.3   -55.1  Favored  13  11  0.48  14  1.78  molprobity     1  True   
 90   90  OUTLIER   -56.7   -29.8  Favored  10  16  1.42  23  1.29  molprobity     1  True   
 91   91  ?         -72.3     0.2  Favored   5   5  0.63   7  0.72  molprobity     1  True   
 92   92  OUTLIER  -111.4    14.1  Favored   7  11  1.03  15  0.68  molprobity     1  True   
 93   93  t80      -121.2   -63.6  Allowed   9  13  0.49  18  1.68  molprobity     1  True   
 94   94  t30       -58.5   -14.7  Favored   6   8  0.56  11  0.62  molprobity     ?  False  
 95   95  ?         -51.2   -27.8  Favored   5   5  0.61   7  0.74  molprobity     ?  False  
 96   96  mp       -102.0   -30.1  Favored  11   8  0.50  11  0.72  molprobity     ?  False  
 97   97  mm        -86.1    16.0  Allowed  11   8  0.71  11  1.05  molprobity     ?  False  
 98   98  OUTLIER    72.6   108.1  Allowed  13  11  0.52  14  1.71  molprobity     ?  False  
 99   99  ?        -125.2    64.2  Allowed   5   5  0.63   7  0.82  molprobity     ?  False  
100  100  OUTLIER       ?       ?  ?         9  11  0.77  13  0.86  molprobity     ?  False  
101  101  p80           ?       ?  ?         9  11  1.29  15  0.72  molprobity     ?  False  
102  102  ?        -178.4   -82.7  OUTLIER   3   4  0.89   5  0.64  molprobity     ?  False  
103  103  pt?       -64.9   -35.8  Favored  11   8  0.49  11  0.62  molprobity     1  True   
104  104  ?         -56.6   -24.0  Favored   5   5  0.58   7  0.75  molprobity     1  True   
105  105  t         -98.1   -24.6  Favored   5   6  0.55   8  0.55  molprobity     1  True   
106  106  OUTLIER   -59.8   -29.6  Favored   7   7  0.68  10  1.31  molprobity     1  True   
107  107  OUTLIER   -89.3     5.3  Favored  11   8  0.50  11  0.51  molprobity     1  True   
108  108  m        -104.3   -12.8  Favored   7   7  0.57  10  0.41  molprobity     1  True   
109  109  ttm105   -106.5   -52.1  Favored  13  11  0.54  14  1.74  molprobity     1  True   
110  110  OUTLIER   -58.8   -30.1  Favored  10  16  1.50  23  1.36  molprobity     1  True   
111  111  ?         -71.6     0.1  Favored   5   5  0.58   7  0.76  molprobity     1  True   
112  112  m-70     -111.2    14.2  Favored   7  11  1.24  15  0.68  molprobity     1  True   
113  113  t80      -118.6   -66.1  Allowed   9  13  0.42  18  1.49  molprobity     1  True   
114  114  p30       -59.8   -14.5  Favored   6   8  0.64  11  0.71  molprobity     ?  False  
115  115  ?         -48.6   -26.9  Favored   5   5  0.58   7  0.74  molprobity     ?  False  
116  116  tt       -104.1   -31.4  Favored  11   8  0.46  11  0.84  molprobity     ?  False  
117  117  mm        -82.0    11.7  Allowed  11   8  0.68  11  0.85  molprobity     ?  False  
118  118  OUTLIER   -63.2   -42.9  Favored  13  11  0.51  14  1.17  molprobity     ?  False  
119  119  ?          45.2    59.2  Favored   5   5  0.67   7  1.35  molprobity     ?  False  
120  120  t80           ?       ?  ?         9  11  0.71  13  0.97  molprobity     ?  False  
121  121  t-160         ?       ?  ?         9  11  1.54  15  0.94  molprobity     ?  False  
122  122  ?         179.6   -85.9  OUTLIER   3   4  0.94   5  0.57  molprobity     ?  False  
123  123  OUTLIER   -64.6   -34.3  Favored  11   8  0.52  11  0.62  molprobity     1  True   
124  124  ?         -56.1   -26.0  Favored   5   5  0.64   7  0.89  molprobity     1  True   
125  125  t         -93.3   -26.9  Favored   5   6  0.66   8  0.46  molprobity     1  True   
126  126  OUTLIER   -59.3   -29.4  Favored   7   7  0.68  10  1.39  molprobity     1  True   
127  127  tp        -85.4    -0.3  Favored  11   8  0.59  11  0.94  molprobity     1  True   
128  128  m        -100.2   -11.7  Favored   7   7  0.60  10  0.80  molprobity     1  True   
129  129  mtt-85   -106.7   -53.2  Favored  13  11  0.50  14  1.50  molprobity     1  True   
130  130  OUTLIER   -60.5   -29.1  Favored  10  16  1.67  23  1.32  molprobity     1  True   
131  131  ?         -73.1     1.8  Favored   5   5  0.56   7  0.84  molprobity     1  True   
132  132  OUTLIER  -109.5    10.0  Favored   7  11  1.48  15  0.79  molprobity     1  True   
133  133  m-85     -113.8   -68.1  Allowed   9  13  0.58  18  1.60  molprobity     1  True   
134  134  t30       -65.8    -9.6  Favored   6   8  0.64  11  0.56  molprobity     ?  False  
135  135  ?         -51.4   -27.5  Favored   5   5  0.57   7  0.65  molprobity     ?  False  
136  136  tp       -103.7   -30.6  Favored  11   8  0.48  11  0.71  molprobity     ?  False  
137  137  mm        -84.7    12.9  Allowed  11   8  0.71  11  1.08  molprobity     ?  False  
138  138  OUTLIER    74.1    89.8  Allowed  13  11  0.56  14  1.11  molprobity     ?  False  
139  139  ?         -83.3   -66.9  Allowed   5   5  0.53   7  0.74  molprobity     ?  False  
140  140  t80           ?       ?  ?         9  11  0.72  13  1.48  molprobity     ?  False  
141  141  t60           ?       ?  ?         9  11  1.13  15  0.71  molprobity     ?  False  
142  142  ?         179.7   -89.7  OUTLIER   3   4  0.90   5  0.93  molprobity     ?  False  
143  143  OUTLIER   -63.1   -35.1  Favored  11   8  0.50  11  0.71  molprobity     1  True   
144  144  ?         -56.2   -24.6  Favored   5   5  0.59   7  0.75  molprobity     1  True   
145  145  t        -103.3   -24.7  Favored   5   6  0.53   8  0.68  molprobity     1  True   
146  146  m         -56.6   -28.4  Favored   7   7  0.62  10  0.39  molprobity     1  True   
147  147  OUTLIER   -88.9     4.4  Favored  11   8  0.51  11  0.55  molprobity     1  True   
148  148  m        -102.7   -12.8  Favored   7   7  0.59  10  0.70  molprobity     1  True   
149  149  mtp180   -105.3   -51.6  Favored  13  11  0.50  14  0.99  molprobity     1  True   
150  150  OUTLIER   -60.7   -28.5  Favored  10  16  1.44  23  1.28  molprobity     1  True   
151  151  ?         -71.2    -0.8  Favored   5   5  0.63   7  0.87  molprobity     1  True   
152  152  t60      -104.0   -11.6  Favored   7  11  1.16  15  1.09  molprobity     1  True   
153  153  OUTLIER   -80.8   -74.2  Allowed   9  13  0.42  18  1.38  molprobity     1  True   
154  154  m-20      -65.1    -8.2  Favored   6   8  0.50  11  0.80  molprobity     ?  False  
155  155  ?         -53.0   -27.9  Favored   5   5  0.58   7  0.64  molprobity     ?  False  
156  156  mp       -103.4   -30.5  Favored  11   8  0.46  11  0.69  molprobity     ?  False  
157  157  mt        -81.3     9.1  Allowed  11   8  0.72  11  0.97  molprobity     ?  False  
158  158  ttt180     67.7   -63.0  Allowed  13  11  0.47  14  1.51  molprobity     ?  False  
159  159  ?        -174.2   -71.0  OUTLIER   5   5  0.56   7  1.52  molprobity     ?  False  
160  160  t80           ?       ?  ?         9  11  0.90  13  0.82  molprobity     ?  False  
161  161  OUTLIER       ?       ?  ?         9  11  1.27  15  1.05  molprobity     ?  False  
162  162  ?        -178.2   -87.8  OUTLIER   3   4  0.81   5  0.93  molprobity     ?  False  
163  163  pt?       -62.3   -36.8  Favored  11   8  0.52  11  0.74  molprobity     1  True   
164  164  ?         -56.0   -25.1  Favored   5   5  0.61   7  0.89  molprobity     1  True   
165  165  OUTLIER  -102.6   -26.3  Favored   5   6  0.52   8  0.70  molprobity     1  True   
166  166  m         -56.2   -28.3  Favored   7   7  0.61  10  0.42  molprobity     1  True   
167  167  mt        -87.8     3.2  Favored  11   8  0.50  11  0.98  molprobity     1  True   
168  168  m        -105.7   -13.9  Favored   7   7  0.63  10  0.68  molprobity     1  True   
169  169  mtt-85    -96.6   -52.8  Favored  13  11  0.50  14  1.81  molprobity     1  True   
170  170  OUTLIER   -60.1   -28.8  Favored  10  16  1.41  23  1.30  molprobity     1  True   
171  171  ?         -68.7    -4.3  Favored   5   5  0.59   7  0.73  molprobity     1  True   
172  172  m-70     -110.0    12.5  Favored   7  11  1.22  15  0.80  molprobity     1  True   
173  173  m-85     -114.8   -64.5  Allowed   9  13  0.40  18  1.41  molprobity     1  True   
174  174  t-20      -55.6   -20.0  Favored   6   8  0.60  11  0.64  molprobity     ?  False  
175  175  ?         -50.4   -27.9  Favored   5   5  0.60   7  0.80  molprobity     ?  False  
176  176  OUTLIER  -101.1   -28.1  Favored  11   8  0.50  11  0.81  molprobity     ?  False  
177  177  mt        -87.4    10.4  Allowed  11   8  0.71  11  0.79  molprobity     ?  False  
178  178  ttt180   -128.1   133.2  Favored  13  11  0.43  14  1.44  molprobity     ?  False  
179  179  ?        -173.7   -53.9  OUTLIER   5   5  0.65   7  0.79  molprobity     ?  False  
180  180  t80           ?       ?  ?         9  11  0.75  13  0.87  molprobity     ?  False  
181  181  t-160         ?       ?  ?         9  11  1.23  15  0.82  molprobity     ?  False  
182  182  ?         179.4   -89.1  OUTLIER   3   4  1.02   5  0.51  molprobity     ?  False  
183  183  OUTLIER   -63.7   -32.3  Favored  11   8  0.52  11  0.59  molprobity     1  True   
184  184  ?         -56.0   -26.4  Favored   5   5  0.60   7  0.72  molprobity     1  True   
185  185  t         -93.7   -25.3  Favored   5   6  0.58   8  0.47  molprobity     1  True   
186  186  OUTLIER   -59.4   -29.1  Favored   7   7  0.68  10  1.34  molprobity     1  True   
187  187  OUTLIER   -87.5     1.0  Favored  11   8  0.48  11  0.71  molprobity     1  True   
188  188  m        -100.7   -12.5  Favored   7   7  0.57  10  0.76  molprobity     1  True   
189  189  mmm-85   -105.0   -54.1  Favored  13  11  0.52  14  1.13  molprobity     1  True   
190  190  OUTLIER   -59.8   -30.9  Favored  10  16  1.40  23  1.33  molprobity     1  True   
191  191  ?         -71.5     0.5  Favored   5   5  0.65   7  0.85  molprobity     1  True   
192  192  OUTLIER  -109.7    15.3  Favored   7  11  1.09  15  0.69  molprobity     1  True   
193  193  m-85     -114.2   -67.2  Allowed   9  13  0.47  18  1.34  molprobity     1  True   
194  194  p-10      -62.8   -10.6  Favored   6   8  0.61  11  0.61  molprobity     ?  False  
195  195  ?         -51.2   -27.9  Favored   5   5  0.57   7  0.63  molprobity     ?  False  
196  196  OUTLIER  -104.4   -29.7  Favored  11   8  0.50  11  0.52  molprobity     ?  False  
197  197  mt        -81.0     8.1  Allowed  11   8  0.67  11  0.76  molprobity     ?  False  
198  198  mtp180     56.5   111.9  OUTLIER  13  11  0.61  14  1.18  molprobity     ?  False  
199  199  ?         -54.1   -45.6  Favored   5   5  0.59   7  0.64  molprobity     ?  False  
200  200  OUTLIER       ?       ?  ?         9  11  0.75  13  1.55  molprobity     ?  False  
201  201  p80           ?       ?  ?         9  11  1.34  15  0.67  molprobity     ?  False  
202  202  ?        -178.6   -86.6  OUTLIER   3   4  0.90   5  0.57  molprobity     ?  False  
203  203  OUTLIER   -63.8   -33.6  Favored  11   8  0.51  11  0.62  molprobity     1  True   
204  204  ?         -56.3   -24.6  Favored   5   5  0.60   7  0.71  molprobity     1  True   
205  205  OUTLIER   -97.3   -24.4  Favored   5   6  0.51   8  0.61  molprobity     1  True   
206  206  OUTLIER   -60.0   -29.4  Favored   7   7  0.70  10  1.33  molprobity     1  True   
207  207  OUTLIER   -88.4     3.0  Favored  11   8  0.49  11  0.60  molprobity     1  True   
208  208  m        -103.8   -12.7  Favored   7   7  0.60  10  0.68  molprobity     1  True   
209  209  mmm180   -101.5   -53.7  Favored  13  11  0.51  14  1.43  molprobity     1  True   
210  210  OUTLIER   -60.7   -28.9  Favored  10  16  1.36  23  1.27  molprobity     1  True   
211  211  ?         -69.8    -2.7  Favored   5   5  0.65   7  0.86  molprobity     1  True   
212  212  t60      -104.0    -7.8  Favored   7  11  1.30  15  1.09  molprobity     1  True   
213  213  t80      -101.2   -65.1  Allowed   9  13  0.45  18  1.61  molprobity     1  True   
214  214  t30       -59.5   -13.5  Favored   6   8  0.61  11  0.54  molprobity     ?  False  
215  215  ?         -48.9   -27.1  Favored   5   5  0.62   7  0.74  molprobity     ?  False  
216  216  OUTLIER  -103.4   -30.4  Favored  11   8  0.49  11  0.78  molprobity     ?  False  
217  217  mm        -82.1     6.7  Allowed  11   8  0.72  11  0.96  molprobity     ?  False  
218  218  ttt85     -81.6   147.0  Favored  13  11  0.46  14  1.71  molprobity     ?  False  
219  219  ?          56.0    57.0  Favored   5   5  0.70   7  1.39  molprobity     ?  False  
220  220  t80           ?       ?  ?         9  11  0.73  13  1.08  molprobity     ?  False  
221  221  t-160         ?       ?  ?         9  11  1.57  15  0.75  molprobity     ?  False  
222  222  ?         179.2   -83.3  OUTLIER   3   4  0.87   5  0.85  molprobity     ?  False  
223  223  pt?       -65.5   -37.2  Favored  11   8  0.49  11  0.71  molprobity     1  True   
224  224  ?         -56.4   -24.0  Favored   5   5  0.60   7  0.82  molprobity     1  True   
225  225  OUTLIER  -101.8   -30.7  Favored   5   6  0.49   8  0.62  molprobity     1  True   
226  226  OUTLIER   -55.6   -29.6  Favored   7   7  0.69  10  1.38  molprobity     1  True   
227  227  mt        -91.9     9.3  Favored  11   8  0.49  11  0.77  molprobity     1  True   
228  228  m        -107.1   -12.4  Favored   7   7  0.61  10  0.65  molprobity     1  True   
229  229  mtp180   -107.1   -52.3  Favored  13  11  0.51  14  1.10  molprobity     1  True   
230  230  OUTLIER   -60.2   -29.1  Favored  10  16  1.66  23  1.33  molprobity     1  True   
231  231  ?         -72.6     1.6  Favored   5   5  0.59   7  0.87  molprobity     1  True   
232  232  t60      -107.0   -12.3  Favored   7  11  1.51  15  1.10  molprobity     1  True   
233  233  m-85      -91.6   -73.0  Allowed   9  13  0.53  18  1.56  molprobity     1  True   
234  234  t30       -62.7   -13.1  Favored   6   8  0.57  11  0.41  molprobity     ?  False  
235  235  ?         -50.3   -26.9  Favored   5   5  0.55   7  0.69  molprobity     ?  False  
236  236  mt       -105.1   -30.7  Favored  11   8  0.48  11  0.62  molprobity     ?  False  
237  237  mt        -79.8     3.8  Allowed  11   8  0.66  11  0.79  molprobity     ?  False  
238  238  mtt180     56.6   -81.9  OUTLIER  13  11  0.35  14  1.59  molprobity     ?  False  
239  239  ?          32.7    55.3  Allowed   5   5  0.62   7  1.52  molprobity     ?  False  
240  240  t80           ?       ?  ?         9  11  0.80  13  0.87  molprobity     ?  False  
241  241  m80           ?       ?  ?         9  11  1.24  15  0.80  molprobity     ?  False  
242  242  ?         179.8   -87.4  OUTLIER   3   4  0.89   5  0.54  molprobity     ?  False  
243  243  OUTLIER   -64.1   -35.8  Favored  11   8  0.51  11  0.60  molprobity     1  True   
244  244  ?         -52.4   -27.3  Favored   5   5  0.63   7  0.76  molprobity     1  True   
245  245  OUTLIER   -94.0   -25.6  Favored   5   6  0.53   8  0.57  molprobity     1  True   
246  246  OUTLIER   -59.9   -29.9  Favored   7   7  0.68  10  1.34  molprobity     1  True   
247  247  pp        -84.7    -3.7  Favored  11   8  0.50  11  0.69  molprobity     1  True   
248  248  m         -96.8   -14.3  Favored   7   7  0.58  10  0.69  molprobity     1  True   
249  249  tmt_?    -103.0   -55.3  Favored  13  11  0.48  14  1.41  molprobity     1  True   
250  250  OUTLIER   -58.3   -29.3  Favored  10  16  1.48  23  1.30  molprobity     1  True   
251  251  ?         -73.9     7.6  Favored   5   5  0.53   7  0.81  molprobity     1  True   
252  252  OUTLIER   -94.4   -19.6  Favored   7  11  1.33  15  1.00  molprobity     1  True   
253  253  OUTLIER   -86.3   -65.1  Allowed   9  13  0.39  18  1.15  molprobity     1  True   
254  254  m-80      -74.7     2.9  Favored   6   8  0.62  11  0.81  molprobity     ?  False  
255  255  ?         -53.8   -45.7  Favored   5   5  0.59   7  1.15  molprobity     ?  False  
256  256  tt        -93.7   -15.4  Favored  11   8  0.39  11  0.78  molprobity     ?  False  
257  257  mt        -86.7    11.5  Allowed  11   8  0.57  11  0.69  molprobity     ?  False  
258  258  ptp180     40.6    61.7  Allowed  13  11  0.52  14  0.96  molprobity     ?  False  
259  259  ?        -136.6   -59.2  Allowed   5   5  0.38   7  0.63  molprobity     ?  False  
260  260  t80           ?       ?  ?         9  11  0.92  13  1.19  molprobity     ?  False  
261  261  t60           ?       ?  ?         9  11  1.32  15  0.60  molprobity     ?  False  
262  262  ?         179.9   -87.4  OUTLIER   3   4  1.00   5  0.56  molprobity     ?  False  
263  263  OUTLIER   -64.0   -35.7  Favored  11   8  0.53  11  0.59  molprobity     1  True   
264  264  ?         -52.3   -27.2  Favored   5   5  0.61   7  0.76  molprobity     1  True   
265  265  OUTLIER   -94.4   -25.4  Favored   5   6  0.55   8  0.58  molprobity     1  True   
266  266  OUTLIER   -59.5   -29.5  Favored   7   7  0.70  10  1.42  molprobity     1  True   
267  267  mt        -90.1     7.7  Favored  11   8  0.43  11  0.85  molprobity     1  True   
268  268  m        -105.8   -13.0  Favored   7   7  0.59  10  0.78  molprobity     1  True   
269  269  OUTLIER  -104.3   -53.3  Favored  13  11  0.54  14  1.60  molprobity     1  True   
270  270  OUTLIER   -60.6   -29.0  Favored  10  16  1.57  23  1.30  molprobity     1  True   
271  271  ?         -70.4    -1.9  Favored   5   5  0.56   7  0.73  molprobity     1  True   
272  272  OUTLIER  -107.9     4.5  Favored   7  11  1.22  15  0.73  molprobity     1  True   
273  273  t80      -102.1   -64.8  Allowed   9  13  0.54  18  1.70  molprobity     1  True   
274  274  m-20      -67.5    -9.7  Favored   6   8  0.59  11  0.83  molprobity     ?  False  
275  275  ?         -57.0   -32.0  Favored   5   5  0.54   7  0.56  molprobity     ?  False  
276  276  OUTLIER   -99.1   -23.3  Favored  11   8  0.49  11  0.56  molprobity     ?  False  
277  277  mm        -81.0     7.6  Allowed  11   8  0.64  11  1.03  molprobity     ?  False  
278  278  mtm180     70.3   -53.5  Allowed  13  11  0.54  14  1.33  molprobity     ?  False  
279  279  ?          57.7    65.9  Allowed   5   5  0.60   7  0.84  molprobity     ?  False  
280  280  t80           ?       ?  ?         9  11  0.77  13  1.17  molprobity     ?  False  
281  281  OUTLIER       ?       ?  ?         9  11  1.22  15  0.75  molprobity     ?  False  
282  282  ?        -177.9   -91.2  OUTLIER   3   4  0.90   5  0.60  molprobity     ?  False  
283  283  OUTLIER   -62.7   -35.1  Favored  11   8  0.51  11  0.59  molprobity     1  True   
284  284  ?         -51.9   -28.1  Favored   5   5  0.57   7  0.76  molprobity     1  True   
285  285  t         -98.3   -22.1  Favored   5   6  0.56   8  0.69  molprobity     1  True   
286  286  m         -60.9   -29.3  Favored   7   7  0.62  10  0.68  molprobity     1  True   
287  287  tp        -80.1   -10.2  Favored  11   8  0.51  11  1.20  molprobity     1  True   
288  288  m         -94.3   -12.7  Favored   7   7  0.51  10  0.68  molprobity     1  True   
289  289  mtm-85    -99.8   -52.8  Favored  13  11  0.53  14  0.95  molprobity     1  True   
290  290  OUTLIER   -60.9   -26.9  Favored  10  16  1.41  23  1.38  molprobity     1  True   
291  291  ?         -67.5    -5.2  Favored   5   5  0.63   7  0.79  molprobity     1  True   
292  292  m-70     -102.3    12.6  Favored   7  11  1.18  15  0.68  molprobity     1  True   
293  293  t80      -104.3   -54.1  Favored   9  13  0.46  18  1.29  molprobity     1  True   
294  294  m120      -57.9   -16.1  Favored   6   8  0.57  11  0.86  molprobity     ?  False  
295  295  ?         -50.6   -26.1  Favored   5   5  0.55   7  0.65  molprobity     ?  False  
296  296  OUTLIER  -105.7   -29.4  Favored  11   8  0.47  11  0.88  molprobity     ?  False  
297  297  mm        -84.6    13.0  Allowed  11   8  0.73  11  1.03  molprobity     ?  False  
298  298  OUTLIER   -56.6   149.9  Favored  13  11  0.46  14  1.18  molprobity     ?  False  
299  299  ?          60.8    68.9  Allowed   5   5  0.70   7  1.47  molprobity     ?  False  
300  300  t80           ?       ?  ?         9  11  0.75  13  0.97  molprobity     ?  False  
301  301  p80           ?       ?  ?         9  11  1.50  15  0.80  molprobity     ?  False  
302  302  ?         179.8   -88.5  OUTLIER   3   4  0.90   5  0.54  molprobity     ?  False  
303  303  OUTLIER   -64.8   -32.5  Favored  11   8  0.52  11  0.58  molprobity     1  True   
304  304  ?         -57.6   -20.3  Favored   5   5  0.61   7  0.60  molprobity     1  True   
305  305  t        -101.9   -20.8  Favored   5   6  0.58   8  0.59  molprobity     1  True   
306  306  OUTLIER   -59.9   -31.3  Favored   7   7  0.71  10  1.44  molprobity     1  True   
307  307  OUTLIER   -75.3   -16.3  Favored  11   8  0.59  11  1.74  molprobity     1  True   
308  308  m         -92.7   -12.4  Favored   7   7  0.62  10  0.49  molprobity     1  True   
309  309  ttt180   -104.7   -52.1  Favored  13  11  0.38  14  1.15  molprobity     1  True   
310  310  OUTLIER   -55.7   -31.5  Favored  10  16  1.68  23  1.30  molprobity     1  True   
311  311  ?         -69.2    -2.5  Favored   5   5  0.59   7  0.98  molprobity     1  True   
312  312  m170     -109.1    13.4  Favored   7  11  1.49  15  0.69  molprobity     1  True   
313  313  t80      -117.2   -68.1  Allowed   9  13  0.62  18  1.72  molprobity     1  True   
314  314  p-10      -61.0   -12.8  Favored   6   8  0.67  11  0.61  molprobity     ?  False  
315  315  ?         -48.2   -27.8  Favored   5   5  0.61   7  0.74  molprobity     ?  False  
316  316  OUTLIER  -102.6   -30.6  Favored  11   8  0.44  11  0.77  molprobity     ?  False  
317  317  mt        -82.4     9.9  Allowed  11   8  0.71  11  0.70  molprobity     ?  False  
318  318  OUTLIER  -107.5   -48.8  Favored  13  11  0.46  14  1.42  molprobity     ?  False  
319  319  ?          57.3    75.5  Allowed   5   5  0.65   7  1.31  molprobity     ?  False  
320  320  t80           ?       ?  ?         9  11  0.85  13  0.79  molprobity     ?  False  
321  321  m-70          ?       ?  ?         9  11  1.56  15  0.73  molprobity     ?  False  
322  322  ?         178.5   -90.9  OUTLIER   3   4  0.94   5  0.73  molprobity     ?  False  
323  323  OUTLIER   -62.8   -36.8  Favored  11   8  0.49  11  0.61  molprobity     1  True   
324  324  ?         -50.8   -28.4  Favored   5   5  0.57   7  0.60  molprobity     1  True   
325  325  t         -89.9   -39.1  Favored   5   6  0.55   8  0.58  molprobity     1  True   
326  326  p         -58.1   -25.9  Favored   7   7  0.68  10  0.82  molprobity     1  True   
327  327  OUTLIER   -95.5     7.2  Favored  11   8  0.46  11  0.78  molprobity     1  True   
328  328  m        -105.1   -13.8  Favored   7   7  0.58  10  0.91  molprobity     1  True   
329  329  OUTLIER  -100.1   -56.1  Favored  13  11  0.50  14  1.62  molprobity     1  True   
330  330  OUTLIER   -55.7   -29.4  Favored  10  16  1.65  23  1.31  molprobity     1  True   
331  331  ?         -69.0    -3.6  Favored   5   5  0.47   7  0.61  molprobity     1  True   
332  332  OUTLIER   -86.6   -24.1  Favored   7  11  1.55  15  0.87  molprobity     1  True   
333  333  t80       -71.3   -76.1  Allowed   9  13  0.63  18  1.05  molprobity     1  True   
334  334  p30       -54.5   -22.7  Favored   6   8  0.70  11  0.48  molprobity     ?  False  
335  335  ?         -52.4   -42.1  Favored   5   5  0.57   7  0.70  molprobity     ?  False  
336  336  tp       -106.6   -29.1  Favored  11   8  0.49  11  0.61  molprobity     ?  False  
337  337  mm        -84.8    17.0  Allowed  11   8  0.70  11  1.03  molprobity     ?  False  
338  338  mtt85     -56.4   147.8  Favored  13  11  0.47  14  1.33  molprobity     ?  False  
339  339  ?          54.9    62.2  Favored   5   5  0.62   7  0.97  molprobity     ?  False  
340  340  t80           ?       ?  ?         9  11  0.84  13  1.56  molprobity     ?  False  
341  341  m170          ?       ?  ?         9  11  1.43  15  0.78  molprobity     ?  False  
342  342  ?         179.2   -86.5  OUTLIER   3   4  0.99   5  0.61  molprobity     ?  False  
343  343  OUTLIER   -63.7   -35.6  Favored  11   8  0.52  11  0.65  molprobity     1  True   
344  344  ?         -55.0   -27.4  Favored   5   5  0.57   7  0.71  molprobity     1  True   
345  345  t         -85.4   -44.7  Favored   5   6  0.63   8  0.35  molprobity     1  True   
346  346  p         -55.9   -25.6  Favored   7   7  0.66  10  0.81  molprobity     1  True   
347  347  OUTLIER   -95.8     9.4  Favored  11   8  0.44  11  0.80  molprobity     1  True   
348  348  m        -105.5   -13.4  Favored   7   7  0.59  10  0.94  molprobity     1  True   
349  349  OUTLIER  -104.7   -53.8  Favored  13  11  0.47  14  1.61  molprobity     1  True   
350  350  OUTLIER   -59.7   -29.3  Favored  10  16  1.59  23  1.36  molprobity     1  True   
351  351  ?         -76.8    11.2  Allowed   5   5  0.57   7  0.63  molprobity     1  True   
352  352  OUTLIER  -116.5     8.5  Favored   7  11  1.34  15  0.68  molprobity     1  True   
353  353  m-85     -110.3   -83.3  Allowed   9  13  0.45  18  1.48  molprobity     1  True   
354  354  t30       -65.5    -8.8  Favored   6   8  0.58  11  0.62  molprobity     ?  False  
355  355  ?         -45.3   -31.8  Allowed   5   5  0.60   7  0.99  molprobity     ?  False  
356  356  OUTLIER  -102.0   -29.2  Favored  11   8  0.45  11  0.72  molprobity     ?  False  
357  357  mm        -84.0    10.9  Allowed  11   8  0.69  11  1.05  molprobity     ?  False  
358  358  OUTLIER   -91.8   139.5  Favored  13  11  0.52  14  1.41  molprobity     ?  False  
359  359  ?        -130.3    64.0  Allowed   5   5  0.45   7  1.19  molprobity     ?  False  
360  360  t80           ?       ?  ?         9  11  0.80  13  1.12  molprobity     ?  False  
361  361  t60           ?       ?  ?         9  11  1.48  15  0.62  molprobity     ?  False  
362  362  ?         179.4   -91.1  OUTLIER   3   4  0.97   5  0.67  molprobity     ?  False  
363  363  OUTLIER   -62.7   -33.7  Favored  11   8  0.51  11  0.67  molprobity     1  True   
364  364  ?         -55.9   -24.8  Favored   5   5  0.54   7  0.49  molprobity     1  True   
365  365  t         -90.9   -40.0  Favored   5   6  0.55   8  0.46  molprobity     1  True   
366  366  p         -57.9   -26.8  Favored   7   7  0.64  10  0.73  molprobity     1  True   
367  367  pp        -88.4    -5.2  Favored  11   8  0.52  11  0.92  molprobity     1  True   
368  368  m         -95.3   -13.2  Favored   7   7  0.59  10  1.05  molprobity     1  True   
369  369  ttm180   -103.8   -50.0  Favored  13  11  0.47  14  0.98  molprobity     1  True   
370  370  OUTLIER   -60.6   -29.2  Favored  10  16  1.62  23  1.35  molprobity     1  True   
371  371  ?         -71.9     0.2  Favored   5   5  0.56   7  0.78  molprobity     1  True   
372  372  OUTLIER  -110.2    12.6  Favored   7  11  1.37  15  0.68  molprobity     1  True   
373  373  OUTLIER  -118.8   -69.0  Allowed   9  13  0.52  18  1.41  molprobity     1  True   
374  374  t30       -60.4   -12.9  Favored   6   8  0.62  11  0.58  molprobity     ?  False  
375  375  ?         -50.4   -27.3  Favored   5   5  0.59   7  0.71  molprobity     ?  False  
376  376  OUTLIER  -102.2   -30.8  Favored  11   8  0.45  11  0.75  molprobity     ?  False  
377  377  mt        -82.8     9.6  Allowed  11   8  0.74  11  0.83  molprobity     ?  False  
378  378  OUTLIER   -87.7    90.8  Favored  13  11  0.54  14  1.94  molprobity     ?  False  
379  379  ?        -161.1    63.8  Allowed   5   5  0.64   7  0.99  molprobity     ?  False  
380  380  OUTLIER       ?       ?  ?         9  11  0.81  13  0.89  molprobity     ?  False  
381  381  m170          ?       ?  ?         9  11  1.53  15  0.82  molprobity     ?  False  
382  382  ?         178.0   -87.5  OUTLIER   3   4  0.88   5  0.79  molprobity     ?  False  
383  383  OUTLIER   -64.4   -35.4  Favored  11   8  0.49  11  0.64  molprobity     1  True   
384  384  ?         -55.1   -25.7  Favored   5   5  0.56   7  0.62  molprobity     1  True   
385  385  t         -91.4   -39.2  Favored   5   6  0.52   8  0.63  molprobity     1  True   
386  386  p         -58.3   -26.2  Favored   7   7  0.68  10  0.82  molprobity     1  True   
387  387  OUTLIER   -95.1     9.3  Favored  11   8  0.49  11  0.69  molprobity     1  True   
388  388  m        -104.4   -11.3  Favored   7   7  0.63  10  1.06  molprobity     1  True   
389  389  mtp180   -107.8   -52.9  Favored  13  11  0.51  14  1.21  molprobity     1  True   
390  390  OUTLIER   -60.3   -28.9  Favored  10  16  1.66  23  1.32  molprobity     1  True   
391  391  ?         -76.6    10.7  Favored   5   5  0.56   7  0.82  molprobity     1  True   
392  392  t60      -112.9    -8.7  Favored   7  11  1.47  15  1.12  molprobity     1  True   
393  393  OUTLIER   -97.5   -75.3  Allowed   9  13  0.58  18  1.52  molprobity     1  True   
394  394  m120      -71.9    -9.3  Favored   6   8  0.54  11  0.67  molprobity     ?  False  
395  395  ?         -46.8   -30.2  Favored   5   5  0.56   7  0.98  molprobity     ?  False  
396  396  mm?      -103.4   -29.0  Favored  11   8  0.45  11  0.63  molprobity     ?  False  
397  397  mt        -82.8    10.3  Allowed  11   8  0.68  11  0.83  molprobity     ?  False  
398  398  OUTLIER   -70.8   117.0  Favored  13  11  0.52  14  1.47  molprobity     ?  False  
399  399  ?        -148.1   -63.0  Allowed   5   5  0.46   7  0.76  molprobity     ?  False  
400  400  t80           ?       ?  ?         9  11  0.96  13  1.05  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   10  CZ3    1  0.42  2.49  
 2   14  HB2    1  0.42  2.49  
 3   23  O      2  0.46  2.10  
 4   26  HG22   2  0.46  2.10  
 5   43  O      3  0.46  2.10  
 6   46  HG22   3  0.46  2.10  
 7   70  CZ3    4  0.41  2.50  
 8   74  HB3    4  0.41  2.50  
 9   90  CZ3    5  0.46  2.45  
10   94  HB2    5  0.46  2.45  
11  103  O      6  0.45  2.11  
12  106  HG22   6  0.45  2.11  
13  123  O      7  0.46  2.10  
14  126  HG22   7  0.46  2.10  
15  183  O      8  0.46  2.10  
16  186  HG22   8  0.46  2.10  
17  203  O      9  0.45  2.10  
18  206  HG22   9  0.45  2.10  
19  210  CZ3   10  0.41  2.49  
20  214  HB2   10  0.41  2.49  
21  230  CZ3   11  0.42  2.49  
22  234  HB2   11  0.42  2.49  
23  243  O     12  0.47  2.10  
24  246  HG22  12  0.47  2.10  
25  251  O     13  0.58  1.98  
26  255  HB2   13  0.58  1.98  
27  263  O     14  0.47  2.09  
28  266  HG22  14  0.47  2.09  
29  303  O     15  0.50  2.07  
30  306  HG22  15  0.50  2.07  
31  331  O     16  0.44  2.12  
32  333  CZ    17  0.44  2.48  
33  335  HB2   16  0.44  2.12  
34  337  HG21  17  0.44  2.48  
35  351  O     18  0.48  2.07  
36  355  HB2   18  0.48  2.07  
37  370  CZ3   19  0.41  2.50  
38  374  HB2   19  0.41  2.50  
39  391  O     20  0.48  2.07  
40  395  HB2   20  0.48  2.07  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.improper
1    2  mainchain  -10.87  
2   82  mainchain  -10.88  
3  162  mainchain  -10.29  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1   33  CB  CG  CD2  117.669  121.000  0.600  -5.55  
2   49  NE  CZ  NH1  122.980  120.300  0.500   5.36  
3   93  CB  CG  CD1  117.864  121.000  0.600  -5.23  
4  133  CB  CG  CD2  117.850  121.000  0.600  -5.25  
5  169  NE  CZ  NH1  122.873  120.300  0.500   5.15  
6  273  CB  CG  CD1  117.755  121.000  0.600  -5.41  
7  313  CB  CG  CD1  117.794  121.000  0.600  -5.34  
8  378  NE  CZ  NH1  122.955  120.300  0.500   5.31  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  1        ?     
 3  1        True  
 4  1        ?     
 5  1        ?     
 6  1        ?     
 7  1        ?     
 8  1        ?     
 9  1        ?     
10  1        ?     
11  1        ?     
12  1        ?     
13  1        ?     
14  1        ?     
15  1        ?     
16  1        ?     
17  outlier  ?     
18  2        True  
19  2        ?     
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  11
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.140
_pdbx_vrpt_cyrange_domain.medoid_model        3
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.150
_pdbx_vrpt_cyrange_domain.residue_string      A:3-A:13
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           105
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           105
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            105
_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   2  0.033  
 2  A  LEU   3  0.029  
 3  A  ALA   4  0.024  
 4  A  SER   5  0.020  
 5  A  THR   6  0.022  
 6  A  LEU   7  0.029  
 7  A  THR   8  0.046  
 8  A  ARG   9  0.069  
 9  A  TRP  10  0.099  
10  A  ALA  11  0.091  
11  A  HIS  12  0.069  
12  A  TYR  13  0.034  
13  A  ASN  14  0.033  
14  A  ALA  15  0.042  
15  A  LEU  16  0.052  
16  A  ILE  17  0.059  
17  A  ARG  18  0.064  
18  A  ALA  19  0.067  
19  A  PHE  20  0.068  
#
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  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1   0    2    2  stereomethyl  stereomethyl  
 2  59  101  160  overall       Total         
 3  22   33   55  backbone      Total         
 4  29   47   76  sidechain     Total         
 5   8   21   29  aromatic      Total         
 6  59   28   87  overall       H             
 7  22    0   22  backbone      H             
 8  29   22   51  sidechain     H             
 9   8    6   14  aromatic      H             
10   0   56   56  overall       C             
11   0   22   22  backbone      C             
12   0   22   22  sidechain     C             
13   0   12   12  aromatic      C             
14   0   17   17  overall       N             
15   0   11   11  backbone      N             
16   0    3    3  sidechain     N             
17   0    3    3  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    3    3  stereomethyl  stereomethyl  
 2  105  184  289  overall       Total         
 3   39   62  101  backbone      Total         
 4   54   87  141  sidechain     Total         
 5   12   35   47  aromatic      Total         
 6  105   53  158  overall       H             
 7   39    2   41  backbone      H             
 8   54   40   94  sidechain     H             
 9   12   11   23  aromatic      H             
10    0   99   99  overall       C             
11    0   40   40  backbone      C             
12    0   40   40  sidechain     C             
13    0   19   19  aromatic      C             
14    0   32   32  overall       N             
15    0   20   20  backbone      N             
16    0    7    7  sidechain     N             
17    0    5    5  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    116  
 2  "Intra-residue (|i-j|=0)"                       51  
 3  "Sequential (|i-j|=1)"                          37  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            28  
 5  "Long range (|i-j|>=5)"                          0  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                0  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             5.8  
12  "Number of long range restraints per residue"  0.0  
#
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                  51   44.0  2  1.7   3.9   7   6.0  13.7  
 2  Intra-residue  BackboneBackbone     10    8.6  0  0.0   0.0   1   0.9  10.0  
 3  Intra-residue  BackboneSidechain    34   29.3  0  0.0   0.0   4   3.4  11.8  
 4  Intra-residue  SidechainSidechain    7    6.0  2  1.7  28.6   2   1.7  28.6  
 5  Sequential     all                  37   31.9  0  0.0   0.0   9   7.8  24.3  
 6  Sequential     BackboneBackbone     20   17.2  0  0.0   0.0   7   6.0  35.0  
 7  Sequential     BackboneSidechain    15   12.9  0  0.0   0.0   1   0.9   6.7  
 8  Sequential     SidechainSidechain    2    1.7  0  0.0   0.0   1   0.9  50.0  
 9  MediumRange    all                  28   24.1  5  4.3  17.9  14  12.1  50.0  
10  MediumRange    BackboneBackbone     15   12.9  3  2.6  20.0   7   6.0  46.7  
11  MediumRange    BackboneSidechain    12   10.3  2  1.7  16.7   7   6.0  58.3  
12  MediumRange    SidechainSidechain    1    0.9  0  0.0   0.0   0   0.0   0.0  
13  LongRange      all                   0    0.0  0  0.0   0.0   0   0.0   0.0  
14  LongRange      BackboneBackbone      0    0.0  0  0.0   0.0   0   0.0   0.0  
15  LongRange      BackboneSidechain     0    0.0  0  0.0   0.0   0   0.0   0.0  
16  LongRange      SidechainSidechain    0    0.0  0  0.0   0.0   0   0.0   0.0  
17  InterChain     all                   0    0.0  0  0.0   0.0   0   0.0   0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0   0.0   0   0.0   0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0   0.0   0   0.0   0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0   0.0   0   0.0   0.0  
21  HydrogenBond   all                   0    0.0  0  0.0   0.0   0   0.0   0.0  
22  DisulfideBond  all                   0    0.0  0  0.0   0.0   0   0.0   0.0  
23  Total          all                 116  100.0  7  6.0   6.0  30  25.9  25.9  
24  Total          BackboneBackbone     45   38.8  3  2.6   6.7  15  12.9  33.3  
25  Total          BackboneSidechain    61   52.6  2  1.7   3.3  12  10.3  19.7  
26  Total          SidechainSidechain   10    8.6  2  1.7  20.0   3   2.6  30.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  2.00  0.64  0.26  0.68  
 2   2  2.01  0.73  0.27  0.72  
 3   3  2.00  0.77  0.29  0.72  
 4   4  2.00  0.71  0.24  0.71  
 5   5  2.01  0.67  0.27  0.69  
 6   6  2.00  0.73  0.29  0.70  
 7   7  2.01  0.71  0.27  0.70  
 8   8  1.99  0.76  0.31  0.70  
 9   9  2.00  0.62  0.20  0.69  
10  10  2.00  0.84  0.30  0.72  
11  11  2.00  0.75  0.30  0.70  
12  12  2.01  0.62  0.24  0.67  
13  13  2.00  0.94  1.10  0.68  
14  14  2.00  0.73  0.25  0.71  
15  15  2.01  0.68  0.25  0.72  
16  16  2.00  0.70  0.22  0.70  
17  17  2.01  0.71  0.26  0.69  
18  18  2.01  0.83  0.32  0.74  
19  19  2.01  0.84  0.33  0.74  
20  20  2.01  0.73  0.30  0.72  
#
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   4  
  2   1  sequential     2  
  3   1  medium        10  
  4   1  long           0  
  5   1  interchain     0  
  6   1  total         16  
  7   2  intraresidue   3  
  8   2  sequential     3  
  9   2  medium         7  
 10   2  long           0  
 11   2  interchain     0  
 12   2  total         13  
 13   3  intraresidue   4  
 14   3  sequential     1  
 15   3  medium         7  
 16   3  long           0  
 17   3  interchain     0  
 18   3  total         12  
 19   4  intraresidue   3  
 20   4  sequential     3  
 21   4  medium         8  
 22   4  long           0  
 23   4  interchain     0  
 24   4  total         14  
 25   5  intraresidue   3  
 26   5  sequential     3  
 27   5  medium         9  
 28   5  long           0  
 29   5  interchain     0  
 30   5  total         15  
 31   6  intraresidue   4  
 32   6  sequential     3  
 33   6  medium         6  
 34   6  long           0  
 35   6  interchain     0  
 36   6  total         13  
 37   7  intraresidue   4  
 38   7  sequential     1  
 39   7  medium         9  
 40   7  long           0  
 41   7  interchain     0  
 42   7  total         14  
 43   8  intraresidue   4  
 44   8  sequential     2  
 45   8  medium         7  
 46   8  long           0  
 47   8  interchain     0  
 48   8  total         13  
 49   9  intraresidue   4  
 50   9  sequential     3  
 51   9  medium         9  
 52   9  long           0  
 53   9  interchain     0  
 54   9  total         16  
 55  10  intraresidue   3  
 56  10  sequential     1  
 57  10  medium         7  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total         11  
 61  11  intraresidue   4  
 62  11  sequential     0  
 63  11  medium         9  
 64  11  long           0  
 65  11  interchain     0  
 66  11  total         13  
 67  12  intraresidue   5  
 68  12  sequential     3  
 69  12  medium         8  
 70  12  long           0  
 71  12  interchain     0  
 72  12  total         16  
 73  13  intraresidue   2  
 74  13  sequential     1  
 75  13  medium         8  
 76  13  long           0  
 77  13  interchain     0  
 78  13  total         11  
 79  14  intraresidue   2  
 80  14  sequential     1  
 81  14  medium        10  
 82  14  long           0  
 83  14  interchain     0  
 84  14  total         13  
 85  15  intraresidue   2  
 86  15  sequential     5  
 87  15  medium         8  
 88  15  long           0  
 89  15  interchain     0  
 90  15  total         15  
 91  16  intraresidue   4  
 92  16  sequential     3  
 93  16  medium         7  
 94  16  long           0  
 95  16  interchain     0  
 96  16  total         14  
 97  17  intraresidue   2  
 98  17  sequential     3  
 99  17  medium         9  
100  17  long           0  
101  17  interchain     0  
102  17  total         14  
103  18  intraresidue   3  
104  18  sequential     1  
105  18  medium         6  
106  18  long           0  
107  18  interchain     0  
108  18  total         10  
109  19  intraresidue   3  
110  19  sequential     1  
111  19  medium         6  
112  19  long           0  
113  19  interchain     0  
114  19  total         10  
115  20  intraresidue   3  
116  20  sequential     1  
117  20  medium         8  
118  20  long           0  
119  20  interchain     0  
120  20  total         12  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  1  
  2   1  sequential    3  
  3   1  medium        1  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         5  
  7   2  intraresidue  1  
  8   2  sequential    1  
  9   2  medium        1  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         3  
 13   3  intraresidue  1  
 14   3  sequential    1  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         2  
 19   4  intraresidue  1  
 20   4  sequential    0  
 21   4  medium        1  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         2  
 25   5  intraresidue  0  
 26   5  sequential    1  
 27   5  medium        1  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         2  
 31   6  intraresidue  0  
 32   6  sequential    2  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         2  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        2  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         2  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        2  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         2  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        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  1  
 92  16  sequential    1  
 93  16  medium        1  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         3  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  2  
116  20  sequential    0  
117  20  medium        5  
118  20  long          0  
119  20  interchain    0  
120  20  total         7  
#
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  4.5  
2  0.2-0.5  0.4  3.8  
3  >0.5     2.0  4.9  
#
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   81  1  .  A  10  TRP  ?     1  A  10  HE1  A  .  10  TRP  10  A  1  ?     HH2   20  2.00  2.00  0.01  
 2   36  1  .  A   2  GLY  ?     1  A   2  HA3  A  .   5  SER   5  A  1  ?     H     20  1.77  1.76  0.03  
 3   67  1  .  A   7  LEU  ?     1  A   7  HA   A  .  10  TRP  10  A  1  ?     HB2   20  1.63  1.62  0.04  
 4   82  1  .  A  10  TRP  ?     1  A  10  HZ2  A  .  10  TRP  10  A  1  ?     HD1   20  1.51  1.51  0.00  
 5   47  1  .  A   6  THR  ?     1  A   6  HA   A  .   8  THR   8  A  1  ?     H     20  0.32  0.31  0.03  
 6   87  1  .  A   3  LEU  ?     1  A   3  HG   A  .   5  SER   5  A  1  ?     H     20  0.26  0.26  0.02  
 7   15  1  .  A   2  GLY  ?     1  A   2  H    A  .   5  SER   5  A  1  ?     H     20  0.23  0.23  0.02  
 8  109  1  .  A   2  GLY  ?     1  A   2  HA2  A  .   6  THR   6  A  1  ?     HG21  16  1.10  1.09  0.13  
 9  109  1  .  A   2  GLY  ?     1  A   2  HA2  A  .   6  THR   6  A  1  ?     HG22  16  1.10  1.09  0.13  
10  109  1  .  A   2  GLY  ?     1  A   2  HA2  A  .   6  THR   6  A  1  ?     HG23  16  1.10  1.09  0.13  
11   94  1  .  A   9  ARG  ?     1  A   9  HB2  A  .  10  TRP  10  A  1  ?     HD1   16  0.19  0.19  0.04  
12   94  1  .  A   9  ARG  ?     1  A   9  HB3  A  .  10  TRP  10  A  1  ?     HD1   16  0.19  0.19  0.04  
13    4  1  .  A   4  ALA  ?     1  A   4  H    A  .   4  ALA   4  A  1  ?     HA    16  0.15  0.15  0.01  
14   63  1  .  A   5  SER  ?     1  A   5  HA   A  .   8  THR   8  A  1  ?     H      8  0.15  0.15  0.04  
15  103  1  .  A  15  ALA  ?     1  A  15  HB1  A  .  18  ARG  18  A  1  ?     H      8  0.14  0.13  0.02  
16  103  1  .  A  15  ALA  ?     1  A  15  HB2  A  .  18  ARG  18  A  1  ?     H      8  0.14  0.13  0.02  
17  103  1  .  A  15  ALA  ?     1  A  15  HB3  A  .  18  ARG  18  A  1  ?     H      8  0.14  0.13  0.02  
18   64  1  .  A   9  ARG  ?     1  A   9  HA   A  .  12  HIS  12  A  1  ?     HB2    7  0.58  0.40  0.32  
19   14  1  .  A   2  GLY  ?     1  A   2  H    A  .   4  ALA   4  A  1  ?     H      7  0.20  0.25  0.07  
20   46  1  .  A   5  SER  ?     1  A   5  HB2  A  .   6  THR   6  A  1  ?     H      6  0.18  0.17  0.05  
21   42  1  .  A   6  THR  ?     1  A   6  HA   A  .   7  LEU   7  A  1  ?     H      6  0.14  0.14  0.01  
22   48  1  .  A   8  THR  ?     1  A   8  H    A  .  10  TRP  10  A  1  ?     H      5  0.16  0.15  0.02  
23   69  1  .  A  17  ILE  ?     1  A  17  HA   A  .  18  ARG  18  A  1  ?     H      5  0.12  0.12  0.01  
24   89  1  .  A  12  HIS  ?     1  A  12  H    A  .  12  HIS  12  A  1  ?     HD2    4  0.14  0.14  0.01  
25   71  1  .  A  14  ASN  ?     1  A  14  HA   A  .  17  ILE  17  A  1  ?     HA     4  0.13  0.13  0.02  
26   62  1  .  A  11  ALA  ?     1  A  11  HA   A  .  12  HIS  12  A  1  ?     H      3  0.13  0.12  0.01  
27   74  1  .  A   3  LEU  ?     1  A   3  H    A  .   3  LEU   3  A  1  ?     HG     3  0.11  0.11  0.00  
28   91  1  .  A   7  LEU  ?     1  A   7  H    A  .   7  LEU   7  A  1  ?     HG     2  0.21  0.21  0.05  
29   38  1  .  A  19  ALA  ?     1  A  19  H    A  .  20  PHE  20  A  1  ?     H      2  0.20  0.20  0.07  
30   90  1  .  A  10  TRP  ?     1  A  10  HH2  A  .  14  ASN  14  A  1  ?     H      2  0.12  0.12  0.01  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1   81  1   30   30  HE1  HH2   2.01  
  2   81  1   90   90  HE1  HH2   2.01  
  3   81  1  130  130  HE1  HH2   2.01  
  4   81  1  230  230  HE1  HH2   2.01  
  5   81  1  290  290  HE1  HH2   2.01  
  6   81  1  330  330  HE1  HH2   2.01  
  7   81  1  350  350  HE1  HH2   2.01  
  8   81  1  370  370  HE1  HH2   2.01  
  9   81  1  390  390  HE1  HH2   2.01  
 10   81  1   10   10  HE1  HH2   2.00  
 11   81  1   50   50  HE1  HH2   2.00  
 12   81  1   70   70  HE1  HH2   2.00  
 13   81  1  110  110  HE1  HH2   2.00  
 14   81  1  170  170  HE1  HH2   2.00  
 15   81  1  190  190  HE1  HH2   2.00  
 16   81  1  210  210  HE1  HH2   2.00  
 17   81  1  250  250  HE1  HH2   2.00  
 18   81  1  270  270  HE1  HH2   2.00  
 19   81  1  310  310  HE1  HH2   2.00  
 20   81  1  150  150  HE1  HH2   1.99  
 21   36  1   82   85  HA3  H     1.83  
 22   36  1    2    5  HA3  H     1.82  
 23   36  1   62   65  HA3  H     1.81  
 24   36  1  222  225  HA3  H     1.81  
 25   36  1  142  145  HA3  H     1.80  
 26   36  1  162  165  HA3  H     1.80  
 27   36  1  382  385  HA3  H     1.79  
 28   36  1   42   45  HA3  H     1.77  
 29   36  1  122  125  HA3  H     1.77  
 30   36  1  182  185  HA3  H     1.76  
 31   36  1  282  285  HA3  H     1.76  
 32   36  1  342  345  HA3  H     1.76  
 33   36  1   22   25  HA3  H     1.75  
 34   36  1  102  105  HA3  H     1.75  
 35   36  1  322  325  HA3  H     1.75  
 36   36  1  362  365  HA3  H     1.75  
 37   36  1  202  205  HA3  H     1.74  
 38   36  1  262  265  HA3  H     1.74  
 39   67  1  287  290  HA   HB2   1.73  
 40   36  1  242  245  HA3  H     1.73  
 41   36  1  302  305  HA3  H     1.72  
 42   67  1  127  130  HA   HB2   1.69  
 43   67  1  167  170  HA   HB2   1.68  
 44   67  1   27   30  HA   HB2   1.66  
 45   67  1   87   90  HA   HB2   1.65  
 46   67  1   47   50  HA   HB2   1.64  
 47   67  1  227  230  HA   HB2   1.64  
 48   67  1  267  270  HA   HB2   1.64  
 49   67  1    7   10  HA   HB2   1.63  
 50   67  1  327  330  HA   HB2   1.63  
 51   67  1  247  250  HA   HB2   1.62  
 52   67  1  307  310  HA   HB2   1.62  
 53   67  1  347  350  HA   HB2   1.62  
 54   67  1  367  370  HA   HB2   1.62  
 55   67  1   67   70  HA   HB2   1.61  
 56   67  1  147  150  HA   HB2   1.61  
 57   67  1  207  210  HA   HB2   1.60  
 58   67  1  387  390  HA   HB2   1.60  
 59   67  1  187  190  HA   HB2   1.58  
 60   67  1  107  110  HA   HB2   1.57  
 61   82  1  230  230  HZ2  HD1   1.52  
 62   82  1  250  250  HZ2  HD1   1.52  
 63   82  1  330  330  HZ2  HD1   1.52  
 64   82  1   10   10  HZ2  HD1   1.51  
 65   82  1   30   30  HZ2  HD1   1.51  
 66   82  1   50   50  HZ2  HD1   1.51  
 67   82  1   70   70  HZ2  HD1   1.51  
 68   82  1   90   90  HZ2  HD1   1.51  
 69   82  1  110  110  HZ2  HD1   1.51  
 70   82  1  130  130  HZ2  HD1   1.51  
 71   82  1  150  150  HZ2  HD1   1.51  
 72   82  1  170  170  HZ2  HD1   1.51  
 73   82  1  190  190  HZ2  HD1   1.51  
 74   82  1  210  210  HZ2  HD1   1.51  
 75   82  1  270  270  HZ2  HD1   1.51  
 76   82  1  290  290  HZ2  HD1   1.51  
 77   82  1  310  310  HZ2  HD1   1.51  
 78   82  1  350  350  HZ2  HD1   1.51  
 79   82  1  370  370  HZ2  HD1   1.51  
 80   82  1  390  390  HZ2  HD1   1.51  
 81  109  1  282  286  HA2  HG21  1.42  
 82  109  1  282  286  HA2  HG22  1.42  
 83  109  1  282  286  HA2  HG23  1.42  
 84  109  1   62   66  HA2  HG21  1.23  
 85  109  1   62   66  HA2  HG22  1.23  
 86  109  1   62   66  HA2  HG23  1.23  
 87  109  1  142  146  HA2  HG21  1.22  
 88  109  1  142  146  HA2  HG22  1.22  
 89  109  1  142  146  HA2  HG23  1.22  
 90  109  1  182  186  HA2  HG21  1.16  
 91  109  1  182  186  HA2  HG22  1.16  
 92  109  1  182  186  HA2  HG23  1.16  
 93  109  1  302  306  HA2  HG21  1.16  
 94  109  1  302  306  HA2  HG22  1.16  
 95  109  1  302  306  HA2  HG23  1.16  
 96   64  1  249  252  HA   HB2   1.12  
 97  109  1    2    6  HA2  HG21  1.11  
 98  109  1    2    6  HA2  HG22  1.11  
 99  109  1    2    6  HA2  HG23  1.11  
100  109  1  242  246  HA2  HG21  1.10  
101  109  1  242  246  HA2  HG22  1.10  
102  109  1  242  246  HA2  HG23  1.10  
103  109  1  262  266  HA2  HG21  1.10  
104  109  1  262  266  HA2  HG22  1.10  
105  109  1  262  266  HA2  HG23  1.10  
106  109  1  202  206  HA2  HG21  1.08  
107  109  1  202  206  HA2  HG22  1.08  
108  109  1  202  206  HA2  HG23  1.08  
109  109  1  122  126  HA2  HG21  1.07  
110  109  1  122  126  HA2  HG22  1.07  
111  109  1  122  126  HA2  HG23  1.07  
112   64  1  329  332  HA   HB2   1.06  
113  109  1   82   86  HA2  HG21  1.06  
114  109  1   82   86  HA2  HG22  1.06  
115  109  1   82   86  HA2  HG23  1.06  
116  109  1   22   26  HA2  HG21  1.03  
117  109  1   22   26  HA2  HG22  1.03  
118  109  1   22   26  HA2  HG23  1.03  
119  109  1  162  166  HA2  HG21  1.03  
120  109  1  162  166  HA2  HG22  1.03  
121  109  1  162  166  HA2  HG23  1.03  
122  109  1   42   46  HA2  HG21  1.01  
123  109  1   42   46  HA2  HG22  1.01  
124  109  1   42   46  HA2  HG23  1.01  
125  109  1  102  106  HA2  HG21  1.01  
126  109  1  102  106  HA2  HG22  1.01  
127  109  1  102  106  HA2  HG23  1.01  
128  109  1  222  226  HA2  HG21  0.77  
129  109  1  222  226  HA2  HG22  0.77  
130  109  1  222  226  HA2  HG23  0.77  
131   64  1  209  212  HA   HB2   0.44  
132   64  1  389  392  HA   HB2   0.40  
133   47  1  366  368  HA   H     0.38  
134   47  1  346  348  HA   H     0.37  
135   64  1  149  152  HA   HB2   0.36  
136   64  1  229  232  HA   HB2   0.36  
137   47  1  326  328  HA   H     0.36  
138   64  1    9   12  HA   HB2   0.34  
139   47  1  166  168  HA   H     0.34  
140   47  1  306  308  HA   H     0.34  
141   47  1  386  388  HA   H     0.34  
142   47  1   66   68  HA   H     0.33  
143   47  1    6    8  HA   H     0.32  
144   47  1   86   88  HA   H     0.32  
145   47  1  146  148  HA   H     0.31  
146   47  1  226  228  HA   H     0.31  
147   47  1  266  268  HA   H     0.31  
148   47  1   26   28  HA   H     0.30  
149   47  1   46   48  HA   H     0.30  
150   47  1  186  188  HA   H     0.30  
151   47  1  206  208  HA   H     0.30  
152   87  1  103  105  HG   H     0.29  
153   47  1  106  108  HA   H     0.29  
154   47  1  246  248  HA   H     0.29  
155   94  1  369  370  HB2  HD1   0.28  
156   94  1  369  370  HB3  HD1   0.28  
157   87  1  123  125  HG   H     0.28  
158   47  1  286  288  HA   H     0.28  
159   94  1  109  110  HB2  HD1   0.27  
160   94  1  109  110  HB3  HD1   0.27  
161   87  1   23   25  HG   H     0.27  
162   87  1   43   45  HG   H     0.27  
163   87  1  163  165  HG   H     0.27  
164   47  1  126  128  HA   H     0.27  
165   46  1  125  126  HB2  H     0.27  
166   38  1   99  100  H    H     0.27  
167   15  1   42   45  H    H     0.27  
168   15  1   82   85  H    H     0.27  
169   14  1  322  324  H    H     0.27  
170   91  1  127  127  H    HG    0.26  
171   87  1    3    5  HG   H     0.26  
172   87  1   63   65  HG   H     0.26  
173   87  1   83   85  HG   H     0.26  
174   87  1  343  345  HG   H     0.26  
175   87  1  363  365  HG   H     0.26  
176   15  1    2    5  H    H     0.26  
177   14  1  242  244  H    H     0.26  
178   14  1  282  284  H    H     0.26  
179   87  1  183  185  HG   H     0.25  
180   87  1  203  205  HG   H     0.25  
181   87  1  223  225  HG   H     0.25  
182   87  1  243  245  HG   H     0.25  
183   87  1  263  265  HG   H     0.25  
184   87  1  283  285  HG   H     0.25  
185   87  1  383  385  HG   H     0.25  
186   15  1  142  145  H    H     0.25  
187   15  1  162  165  H    H     0.25  
188   15  1  362  365  H    H     0.25  
189   15  1  382  385  H    H     0.25  
190   14  1  262  264  H    H     0.25  
191   94  1  249  250  HB2  HD1   0.24  
192   94  1  249  250  HB3  HD1   0.24  
193   87  1  143  145  HG   H     0.24  
194   87  1  323  325  HG   H     0.24  
195   15  1  222  225  H    H     0.24  
196   94  1  309  310  HB2  HD1   0.23  
197   94  1  309  310  HB3  HD1   0.23  
198   15  1   62   65  H    H     0.23  
199   15  1  202  205  H    H     0.23  
200   15  1  282  285  H    H     0.23  
201   15  1  322  325  H    H     0.23  
202   15  1  342  345  H    H     0.23  
203   94  1   29   30  HB2  HD1   0.22  
204   94  1   29   30  HB3  HD1   0.22  
205   63  1  345  348  HA   H     0.22  
206   46  1  185  186  HB2  H     0.22  
207   15  1   22   25  H    H     0.22  
208   15  1  102  105  H    H     0.22  
209   87  1  303  305  HG   H     0.21  
210   15  1  122  125  H    H     0.21  
211   15  1  302  305  H    H     0.21  
212   94  1    9   10  HB2  HD1   0.20  
213   94  1    9   10  HB3  HD1   0.20  
214   94  1  149  150  HB2  HD1   0.20  
215   94  1  149  150  HB3  HD1   0.20  
216   15  1  182  185  H    H     0.20  
217   94  1   89   90  HB2  HD1   0.19  
218   94  1   89   90  HB3  HD1   0.19  
219   94  1  329  330  HB2  HD1   0.19  
220   94  1  329  330  HB3  HD1   0.19  
221   63  1  325  328  HA   H     0.19  
222   48  1  308  310  H    H     0.19  
223   15  1  242  245  H    H     0.19  
224  103  1  135  138  HB1  H     0.19  
225  103  1  135  138  HB2  H     0.19  
226  103  1  135  138  HB3  H     0.19  
227   94  1   69   70  HB2  HD1   0.18  
228   94  1   69   70  HB3  HD1   0.18  
229   94  1  229  230  HB2  HD1   0.18  
230   94  1  229  230  HB3  HD1   0.18  
231   94  1  349  350  HB2  HD1   0.18  
232   94  1  349  350  HB3  HD1   0.18  
233   63  1  385  388  HA   H     0.18  
234   46  1  285  286  HB2  H     0.18  
235   15  1  262  265  H    H     0.18  
236   48  1  328  330  H    H     0.17  
237    4  1  304  304  H    HA    0.17  
238   18  1  333  334  H    H     0.17  
239   91  1  307  307  H    HG    0.16  
240   89  1  212  212  H    HD2   0.16  
241   63  1  365  368  HA   H     0.16  
242   46  1  105  106  HB2  H     0.16  
243   42  1  146  147  HA   H     0.16  
244   94  1   49   50  HB2  HD1   0.15  
245   94  1   49   50  HB3  HD1   0.15  
246   94  1  389  390  HB2  HD1   0.15  
247   94  1  389  390  HB3  HD1   0.15  
248   71  1  174  177  HA   HA    0.15  
249   71  1  274  277  HA   HA    0.15  
250   69  1  237  238  HA   H     0.15  
251   48  1    8   10  H    H     0.15  
252   48  1   68   70  H    H     0.15  
253   48  1   88   90  H    H     0.15  
254   42  1   66   67  HA   H     0.15  
255    4  1    4    4  H    HA    0.15  
256    4  1   64   64  H    HA    0.15  
257    4  1   84   84  H    HA    0.15  
258    4  1  124  124  H    HA    0.15  
259    4  1  144  144  H    HA    0.15  
260    4  1  164  164  H    HA    0.15  
261    4  1  184  184  H    HA    0.15  
262    4  1  204  204  H    HA    0.15  
263    4  1  224  224  H    HA    0.15  
264    4  1  344  344  H    HA    0.15  
265    4  1  364  364  H    HA    0.15  
266    4  1  384  384  H    HA    0.15  
267  103  1  195  198  HB1  H     0.15  
268  103  1  195  198  HB2  H     0.15  
269  103  1  195  198  HB3  H     0.15  
270   89  1  152  152  H    HD2   0.14  
271   89  1  232  232  H    HD2   0.14  
272   62  1  331  332  HA   H     0.14  
273   46  1   65   66  HB2  H     0.14  
274   42  1    6    7  HA   H     0.14  
275   42  1  166  167  HA   H     0.14  
276    4  1   24   24  H    HA    0.14  
277    4  1   44   44  H    HA    0.14  
278    4  1  104  104  H    HA    0.14  
279  103  1   95   98  HB1  H     0.14  
280  103  1   95   98  HB2  H     0.14  
281  103  1   95   98  HB3  H     0.14  
282   94  1  169  170  HB2  HD1   0.13  
283   94  1  169  170  HB3  HD1   0.13  
284   90  1  270  274  HH2  H     0.13  
285   69  1  117  118  HA   H     0.13  
286   63  1  225  228  HA   H     0.13  
287   42  1   86   87  HA   H     0.13  
288   38  1  239  240  H    H     0.13  
289   14  1  162  164  H    H     0.13  
290  103  1   75   78  HB1  H     0.13  
291  103  1   75   78  HB2  H     0.13  
292  103  1   75   78  HB3  H     0.13  
293  103  1  175  178  HB1  H     0.13  
294  103  1  175  178  HB2  H     0.13  
295  103  1  175  178  HB3  H     0.13  
296   94  1  289  290  HB2  HD1   0.12  
297   94  1  289  290  HB3  HD1   0.12  
298   89  1   12   12  H    HD2   0.12  
299   69  1  277  278  HA   H     0.12  
300   62  1  171  172  HA   H     0.12  
301   62  1  291  292  HA   H     0.12  
302   46  1  305  306  HB2  H     0.12  
303   42  1  286  287  HA   H     0.12  
304   24  1  294  295  H    H     0.12  
305   14  1   82   84  H    H     0.12  
306  103  1  215  218  HB1  H     0.12  
307  103  1  215  218  HB2  H     0.12  
308  103  1  215  218  HB3  H     0.12  
309    1  2  383  386  HB2  HA    0.11  
310    1  2  383  386  HB3  HA    0.11  
311   90  1  130  134  HH2  H     0.11  
312   74  1   43   43  H    HG    0.11  
313   74  1  103  103  H    HG    0.11  
314   74  1  223  223  H    HG    0.11  
315   71  1   34   37  HA   HA    0.11  
316   71  1  134  137  HA   HA    0.11  
317   69  1   37   38  HA   H     0.11  
318   69  1  317  318  HA   H     0.11  
319   63  1   45   48  HA   H     0.11  
320   63  1  205  208  HA   H     0.11  
321   63  1  265  268  HA   H     0.11  
322   55  1   28   29  HA   H     0.11  
323   23  1  177  177  H    HB    0.11  
324   14  1    2    4  H    H     0.11  
325  103  1   15   18  HB1  H     0.11  
326  103  1   15   18  HB2  H     0.11  
327  103  1   15   18  HB3  H     0.11  
328  103  1  295  298  HB1  H     0.11  
329  103  1  295  298  HB2  H     0.11  
330  103  1  295  298  HB3  H     0.11  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
