data_5JPX

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   5JPX   
BMRB  30075  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    5JPX
_pdbx_vrpt_summary.PDB_deposition_date         2016-05-04
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:13:32
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "E3 ubiquitin-protein ligase TRIM21"  
2  non-polymer  "ZINC ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1  82.85  158937  ?     ?     
2  2  1  76.01   12864  ?     ?     
3  1  2  50.26  154571  ?     ?     
4  2  2  82.31   11451  ?     ?     
5  1  3  24.67  154315  ?     ?     
6  2  3  73.90   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A   21.86  
 4  6  3  A   1  1  A   21.86  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A    6.00  
10  4  2  A   3  1  A    6.00  
11  5  3  A   3  1  A   21.86  
12  6  3  A   3  1  A   21.86  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A  100.00  
16  6  3  A   4  1  A  100.00  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A   21.86  
20  6  3  A   5  1  A   21.86  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A   21.86  
24  6  3  A   6  1  A   21.86  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A   11.41  
28  6  3  A   7  1  A   11.41  
29  3  2  A   8  1  A    6.00  
30  4  2  A   8  1  A    6.00  
31  5  3  A   8  1  A   44.48  
32  6  3  A   8  1  A   44.48  
33  3  2  A   9  1  A    6.00  
34  4  2  A   9  1  A    6.00  
35  5  3  A   9  1  A   44.48  
36  6  3  A   9  1  A   44.48  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A   21.86  
40  6  3  A  10  1  A   21.86  
41  3  2  A  11  1  A    6.00  
42  4  2  A  11  1  A    6.00  
43  5  3  A  11  1  A  100.00  
44  6  3  A  11  1  A  100.00  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A   21.86  
48  6  3  A  12  1  A   21.86  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A    6.14  
52  6  3  A  13  1  A    6.14  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A    6.14  
56  6  3  A  14  1  A    6.14  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A    6.14  
60  6  3  A  15  1  A    6.14  
61  3  2  A  16  1  A    2.09  
62  4  2  A  16  1  A    2.09  
63  5  3  A  16  1  A  100.00  
64  6  3  A  16  1  A  100.00  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A   11.41  
68  6  3  A  17  1  A   11.41  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A   44.48  
72  6  3  A  18  1  A   44.48  
73  3  2  A  19  1  A    6.00  
74  4  2  A  19  1  A    6.00  
75  5  3  A  19  1  A    6.14  
76  6  3  A  19  1  A    6.14  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A   21.86  
80  6  3  A  20  1  A   21.86  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.63  0.83  362  484  
 2   2  1  A  A  0.59  0.84  362  484  
 3   3  1  A  A  0.62  0.82  362  484  
 4   4  1  A  A  0.61  0.85  362  484  
 5   5  1  A  A  0.66  0.80  362  484  
 6   6  1  A  A  0.64  0.84  362  484  
 7   7  1  A  A  0.59  0.85  362  484  
 8   8  1  A  A  0.63  0.82  362  484  
 9   9  1  A  A  0.66  0.86  362  484  
10  10  1  A  A  0.63  0.86  362  484  
11  11  1  A  A  0.62  0.82  362  484  
12  12  1  A  A  0.64  0.83  362  484  
13  13  1  A  A  0.65  0.83  362  484  
14  14  1  A  A  0.62  0.84  362  484  
15  15  1  A  A  0.65  0.86  362  484  
16  16  1  A  A  0.64  0.84  362  484  
17  17  1  A  A  0.63  0.85  362  484  
18  18  1  A  A  0.63  0.83  362  484  
19  19  1  A  A  0.62  0.80  362  484  
20  20  1  A  A  0.61  0.78  362  484  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.15
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.81
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   5.56
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       5.27
_pdbx_vrpt_summary_geometry.clashscore                                 2.37
_pdbx_vrpt_summary_geometry.clashscore_full_length                     2.16
_pdbx_vrpt_summary_geometry.num_H_reduce                               6780
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             7240
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.83
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            9680
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.63
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            19
_pdbx_vrpt_summary_nmr.medoid_model                             19
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              4
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              6
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              90.05
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  81.38
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1   1  1  A   1  GLY  A   86  .  ?        ?  
  2   1  1  A   2  THR  A   87  .  ?        ?  
  3   1  1  A   3  GLN  A   88  .  ?        ?  
  4   1  1  A   4  GLY  A   89  .  ?        ?  
  5   1  1  A   5  GLU  A   90  .  ?        ?  
  6   1  1  A   6  ARG  A   91  .  ?        ?  
  7   1  1  A   7  CYS  A   92  .  ?        ?  
  8   1  1  A   8  ALA  A   93  .  ?        ?  
  9   1  1  A   9  VAL  A   94  .  ?        ?  
 10   1  1  A  10  HIS  A   95  .  ?        ?  
 11   1  1  A  11  GLY  A   96  .  ?        ?  
 12   1  1  A  12  GLU  A   97  .  ?        ?  
 13   1  1  A  13  ARG  A   98  .  ?        ?  
 14   1  1  A  14  LEU  A   99  .  ?        ?  
 15   1  1  A  15  HIS  A  100  .  ?        ?  
 16   1  1  A  16  LEU  A  101  .  ?        ?  
 17   1  1  A  17  PHE  A  102  .  ?        ?  
 18   1  1  A  18  CYS  A  103  .  ?        1  
 19   1  1  A  19  GLU  A  104  .  ?        ?  
 20   1  1  A  20  LYS  A  105  .  ?        ?  
 21   1  1  A  21  ASP  A  106  .  ?        ?  
 22   1  1  A  22  GLY  A  107  .  ?        ?  
 23   1  1  A  23  LYS  A  108  .  ?        ?  
 24   1  1  A  24  ALA  A  109  .  ?        ?  
 25   1  1  A  25  LEU  A  110  .  ?        1  
 26   1  1  A  26  CYS  A  111  .  ?        ?  
 27   1  1  A  27  TRP  A  112  .  ?        ?  
 28   1  1  A  28  VAL  A  113  .  ?        ?  
 29   1  1  A  29  CYS  A  114  .  ?        ?  
 30   1  1  A  30  ALA  A  115  .  ?        ?  
 31   1  1  A  31  GLN  A  116  .  ?        ?  
 32   1  1  A  32  SER  A  117  .  ?        ?  
 33   1  1  A  33  ARG  A  118  .  ?        ?  
 34   1  1  A  34  LYS  A  119  .  ?        ?  
 35   1  1  A  35  HIS  A  120  .  ?        ?  
 36   1  1  A  36  ARG  A  121  .  ?        ?  
 37   1  1  A  37  ASP  A  122  .  ?        ?  
 38   1  1  A  38  HIS  A  123  .  ?        ?  
 39   1  1  A  39  ALA  A  124  .  ?        ?  
 40   1  1  A  40  MET  A  125  .  ?        ?  
 41   1  1  A  41  VAL  A  126  .  ?        ?  
 42   1  1  A  42  PRO  A  127  .  ?        ?  
 43   1  1  A  43  LEU  A  128  .  ?        ?  
 44   1  1  A  44  GLU  A  129  .  ?        ?  
 45   1  1  A  45  GLU  A  130  .  ?        ?  
 46   1  2  B   .  ZN   A  201  .  ?        ?  
 47   2  1  A   1  GLY  A   86  .  ?        ?  
 48   2  1  A   2  THR  A   87  .  ?        ?  
 49   2  1  A   3  GLN  A   88  .  ?        ?  
 50   2  1  A   4  GLY  A   89  .  ?        ?  
 51   2  1  A   5  GLU  A   90  .  ?        ?  
 52   2  1  A   6  ARG  A   91  .  ?        ?  
 53   2  1  A   7  CYS  A   92  .  ?        ?  
 54   2  1  A   8  ALA  A   93  .  ?        ?  
 55   2  1  A   9  VAL  A   94  .  ?        ?  
 56   2  1  A  10  HIS  A   95  .  ?        ?  
 57   2  1  A  11  GLY  A   96  .  ?        ?  
 58   2  1  A  12  GLU  A   97  .  ?        ?  
 59   2  1  A  13  ARG  A   98  .  ?        ?  
 60   2  1  A  14  LEU  A   99  .  ?        ?  
 61   2  1  A  15  HIS  A  100  .  ?        ?  
 62   2  1  A  16  LEU  A  101  .  ?        ?  
 63   2  1  A  17  PHE  A  102  .  ?        ?  
 64   2  1  A  18  CYS  A  103  .  ?        1  
 65   2  1  A  19  GLU  A  104  .  ?        ?  
 66   2  1  A  20  LYS  A  105  .  ?        ?  
 67   2  1  A  21  ASP  A  106  .  ?        1  
 68   2  1  A  22  GLY  A  107  .  ?        ?  
 69   2  1  A  23  LYS  A  108  .  ?        ?  
 70   2  1  A  24  ALA  A  109  .  ?        ?  
 71   2  1  A  25  LEU  A  110  .  ?        ?  
 72   2  1  A  26  CYS  A  111  .  ?        ?  
 73   2  1  A  27  TRP  A  112  .  ?        ?  
 74   2  1  A  28  VAL  A  113  .  ?        ?  
 75   2  1  A  29  CYS  A  114  .  ?        ?  
 76   2  1  A  30  ALA  A  115  .  ?        ?  
 77   2  1  A  31  GLN  A  116  .  ?        ?  
 78   2  1  A  32  SER  A  117  .  ?        ?  
 79   2  1  A  33  ARG  A  118  .  ?        ?  
 80   2  1  A  34  LYS  A  119  .  ?        ?  
 81   2  1  A  35  HIS  A  120  .  ?        ?  
 82   2  1  A  36  ARG  A  121  .  ?        ?  
 83   2  1  A  37  ASP  A  122  .  ?        1  
 84   2  1  A  38  HIS  A  123  .  ?        ?  
 85   2  1  A  39  ALA  A  124  .  ?        ?  
 86   2  1  A  40  MET  A  125  .  ?        1  
 87   2  1  A  41  VAL  A  126  .  ?        ?  
 88   2  1  A  42  PRO  A  127  .  ?        ?  
 89   2  1  A  43  LEU  A  128  .  ?        ?  
 90   2  1  A  44  GLU  A  129  .  ?        ?  
 91   2  1  A  45  GLU  A  130  .  ?        ?  
 92   2  2  B   .  ZN   A  201  .  ?        ?  
 93   3  1  A   1  GLY  A   86  .  ?        ?  
 94   3  1  A   2  THR  A   87  .  ?        ?  
 95   3  1  A   3  GLN  A   88  .  ?        ?  
 96   3  1  A   4  GLY  A   89  .  ?        ?  
 97   3  1  A   5  GLU  A   90  .  ?        ?  
 98   3  1  A   6  ARG  A   91  .  ?        ?  
 99   3  1  A   7  CYS  A   92  .  ?        ?  
100   3  1  A   8  ALA  A   93  .  ?        ?  
101   3  1  A   9  VAL  A   94  .  ?        ?  
102   3  1  A  10  HIS  A   95  .  ?        ?  
103   3  1  A  11  GLY  A   96  .  ?        ?  
104   3  1  A  12  GLU  A   97  .  ?        ?  
105   3  1  A  13  ARG  A   98  .  ?        ?  
106   3  1  A  14  LEU  A   99  .  ?        ?  
107   3  1  A  15  HIS  A  100  .  ?        ?  
108   3  1  A  16  LEU  A  101  .  ?        ?  
109   3  1  A  17  PHE  A  102  .  ?        ?  
110   3  1  A  18  CYS  A  103  .  ?        ?  
111   3  1  A  19  GLU  A  104  .  ?        ?  
112   3  1  A  20  LYS  A  105  .  ?        ?  
113   3  1  A  21  ASP  A  106  .  ?        ?  
114   3  1  A  22  GLY  A  107  .  ?        ?  
115   3  1  A  23  LYS  A  108  .  ?        ?  
116   3  1  A  24  ALA  A  109  .  ?        ?  
117   3  1  A  25  LEU  A  110  .  ?        ?  
118   3  1  A  26  CYS  A  111  .  ?        1  
119   3  1  A  27  TRP  A  112  .  ?        ?  
120   3  1  A  28  VAL  A  113  .  ?        1  
121   3  1  A  29  CYS  A  114  .  ?        ?  
122   3  1  A  30  ALA  A  115  .  ?        ?  
123   3  1  A  31  GLN  A  116  .  ?        ?  
124   3  1  A  32  SER  A  117  .  ?        ?  
125   3  1  A  33  ARG  A  118  .  ?        ?  
126   3  1  A  34  LYS  A  119  .  ?        ?  
127   3  1  A  35  HIS  A  120  .  ?        ?  
128   3  1  A  36  ARG  A  121  .  ?        ?  
129   3  1  A  37  ASP  A  122  .  ?        ?  
130   3  1  A  38  HIS  A  123  .  ?        ?  
131   3  1  A  39  ALA  A  124  .  ?        ?  
132   3  1  A  40  MET  A  125  .  ?        ?  
133   3  1  A  41  VAL  A  126  .  ?        ?  
134   3  1  A  42  PRO  A  127  .  ?        ?  
135   3  1  A  43  LEU  A  128  .  ?        ?  
136   3  1  A  44  GLU  A  129  .  ?        ?  
137   3  1  A  45  GLU  A  130  .  ?        ?  
138   3  2  B   .  ZN   A  201  .  ?        ?  
139   4  1  A   1  GLY  A   86  .  ?        ?  
140   4  1  A   2  THR  A   87  .  ?        ?  
141   4  1  A   3  GLN  A   88  .  ?        ?  
142   4  1  A   4  GLY  A   89  .  ?        ?  
143   4  1  A   5  GLU  A   90  .  ?        ?  
144   4  1  A   6  ARG  A   91  .  ?        ?  
145   4  1  A   7  CYS  A   92  .  ?        ?  
146   4  1  A   8  ALA  A   93  .  ?        ?  
147   4  1  A   9  VAL  A   94  .  ?        ?  
148   4  1  A  10  HIS  A   95  .  ?        ?  
149   4  1  A  11  GLY  A   96  .  ?        ?  
150   4  1  A  12  GLU  A   97  .  ?        ?  
151   4  1  A  13  ARG  A   98  .  ?        ?  
152   4  1  A  14  LEU  A   99  .  ?        ?  
153   4  1  A  15  HIS  A  100  .  ?        ?  
154   4  1  A  16  LEU  A  101  .  ?        ?  
155   4  1  A  17  PHE  A  102  .  ?        ?  
156   4  1  A  18  CYS  A  103  .  ?        1  
157   4  1  A  19  GLU  A  104  .  ?        ?  
158   4  1  A  20  LYS  A  105  .  ?        ?  
159   4  1  A  21  ASP  A  106  .  ?        1  
160   4  1  A  22  GLY  A  107  .  ?        ?  
161   4  1  A  23  LYS  A  108  .  ?        ?  
162   4  1  A  24  ALA  A  109  .  ?        ?  
163   4  1  A  25  LEU  A  110  .  ?        ?  
164   4  1  A  26  CYS  A  111  .  ?        1  
165   4  1  A  27  TRP  A  112  .  ?        ?  
166   4  1  A  28  VAL  A  113  .  ?        1  
167   4  1  A  29  CYS  A  114  .  ?        ?  
168   4  1  A  30  ALA  A  115  .  ?        ?  
169   4  1  A  31  GLN  A  116  .  ?        ?  
170   4  1  A  32  SER  A  117  .  ?        ?  
171   4  1  A  33  ARG  A  118  .  ?        1  
172   4  1  A  34  LYS  A  119  .  ?        ?  
173   4  1  A  35  HIS  A  120  .  ?        ?  
174   4  1  A  36  ARG  A  121  .  ?        1  
175   4  1  A  37  ASP  A  122  .  ?        ?  
176   4  1  A  38  HIS  A  123  .  ?        ?  
177   4  1  A  39  ALA  A  124  .  ?        ?  
178   4  1  A  40  MET  A  125  .  ?        ?  
179   4  1  A  41  VAL  A  126  .  ?        ?  
180   4  1  A  42  PRO  A  127  .  ?        ?  
181   4  1  A  43  LEU  A  128  .  ?        ?  
182   4  1  A  44  GLU  A  129  .  ?        ?  
183   4  1  A  45  GLU  A  130  .  ?        ?  
184   4  2  B   .  ZN   A  201  .  ?        ?  
185   5  1  A   1  GLY  A   86  .  ?        ?  
186   5  1  A   2  THR  A   87  .  ?        ?  
187   5  1  A   3  GLN  A   88  .  ?        ?  
188   5  1  A   4  GLY  A   89  .  ?        ?  
189   5  1  A   5  GLU  A   90  .  ?        ?  
190   5  1  A   6  ARG  A   91  .  ?        ?  
191   5  1  A   7  CYS  A   92  .  ?        ?  
192   5  1  A   8  ALA  A   93  .  ?        ?  
193   5  1  A   9  VAL  A   94  .  ?        ?  
194   5  1  A  10  HIS  A   95  .  ?        ?  
195   5  1  A  11  GLY  A   96  .  ?        ?  
196   5  1  A  12  GLU  A   97  .  ?        ?  
197   5  1  A  13  ARG  A   98  .  ?        ?  
198   5  1  A  14  LEU  A   99  .  ?        ?  
199   5  1  A  15  HIS  A  100  .  ?        ?  
200   5  1  A  16  LEU  A  101  .  ?        ?  
201   5  1  A  17  PHE  A  102  .  ?        ?  
202   5  1  A  18  CYS  A  103  .  ?        ?  
203   5  1  A  19  GLU  A  104  .  ?        ?  
204   5  1  A  20  LYS  A  105  .  ?        ?  
205   5  1  A  21  ASP  A  106  .  ?        ?  
206   5  1  A  22  GLY  A  107  .  ?        ?  
207   5  1  A  23  LYS  A  108  .  ?        ?  
208   5  1  A  24  ALA  A  109  .  ?        ?  
209   5  1  A  25  LEU  A  110  .  ?        ?  
210   5  1  A  26  CYS  A  111  .  ?        ?  
211   5  1  A  27  TRP  A  112  .  ?        ?  
212   5  1  A  28  VAL  A  113  .  ?        ?  
213   5  1  A  29  CYS  A  114  .  ?        ?  
214   5  1  A  30  ALA  A  115  .  ?        ?  
215   5  1  A  31  GLN  A  116  .  ?        ?  
216   5  1  A  32  SER  A  117  .  ?        ?  
217   5  1  A  33  ARG  A  118  .  ?        ?  
218   5  1  A  34  LYS  A  119  .  ?        ?  
219   5  1  A  35  HIS  A  120  .  ?        ?  
220   5  1  A  36  ARG  A  121  .  ?        ?  
221   5  1  A  37  ASP  A  122  .  ?        1  
222   5  1  A  38  HIS  A  123  .  ?        ?  
223   5  1  A  39  ALA  A  124  .  ?        ?  
224   5  1  A  40  MET  A  125  .  ?        1  
225   5  1  A  41  VAL  A  126  .  ?        ?  
226   5  1  A  42  PRO  A  127  .  ?        ?  
227   5  1  A  43  LEU  A  128  .  ?        ?  
228   5  1  A  44  GLU  A  129  .  ?        ?  
229   5  1  A  45  GLU  A  130  .  ?        ?  
230   5  2  B   .  ZN   A  201  .  ?        ?  
231   6  1  A   1  GLY  A   86  .  ?        ?  
232   6  1  A   2  THR  A   87  .  ?        ?  
233   6  1  A   3  GLN  A   88  .  ?        ?  
234   6  1  A   4  GLY  A   89  .  ?        ?  
235   6  1  A   5  GLU  A   90  .  ?        ?  
236   6  1  A   6  ARG  A   91  .  ?        ?  
237   6  1  A   7  CYS  A   92  .  ?        ?  
238   6  1  A   8  ALA  A   93  .  ?        ?  
239   6  1  A   9  VAL  A   94  .  ?        ?  
240   6  1  A  10  HIS  A   95  .  ?        ?  
241   6  1  A  11  GLY  A   96  .  ?        ?  
242   6  1  A  12  GLU  A   97  .  ?        ?  
243   6  1  A  13  ARG  A   98  .  ?        ?  
244   6  1  A  14  LEU  A   99  .  ?        ?  
245   6  1  A  15  HIS  A  100  .  ?        ?  
246   6  1  A  16  LEU  A  101  .  ?        ?  
247   6  1  A  17  PHE  A  102  .  ?        ?  
248   6  1  A  18  CYS  A  103  .  ?        ?  
249   6  1  A  19  GLU  A  104  .  ?        ?  
250   6  1  A  20  LYS  A  105  .  ?        ?  
251   6  1  A  21  ASP  A  106  .  ?        ?  
252   6  1  A  22  GLY  A  107  .  ?        ?  
253   6  1  A  23  LYS  A  108  .  ?        ?  
254   6  1  A  24  ALA  A  109  .  ?        ?  
255   6  1  A  25  LEU  A  110  .  ?        ?  
256   6  1  A  26  CYS  A  111  .  ?        ?  
257   6  1  A  27  TRP  A  112  .  ?        ?  
258   6  1  A  28  VAL  A  113  .  ?        ?  
259   6  1  A  29  CYS  A  114  .  ?        ?  
260   6  1  A  30  ALA  A  115  .  ?        ?  
261   6  1  A  31  GLN  A  116  .  ?        ?  
262   6  1  A  32  SER  A  117  .  ?        ?  
263   6  1  A  33  ARG  A  118  .  ?        ?  
264   6  1  A  34  LYS  A  119  .  ?        ?  
265   6  1  A  35  HIS  A  120  .  ?        ?  
266   6  1  A  36  ARG  A  121  .  ?        ?  
267   6  1  A  37  ASP  A  122  .  ?        ?  
268   6  1  A  38  HIS  A  123  .  ?        ?  
269   6  1  A  39  ALA  A  124  .  ?        ?  
270   6  1  A  40  MET  A  125  .  ?        ?  
271   6  1  A  41  VAL  A  126  .  ?        ?  
272   6  1  A  42  PRO  A  127  .  ?        ?  
273   6  1  A  43  LEU  A  128  .  ?        ?  
274   6  1  A  44  GLU  A  129  .  ?        ?  
275   6  1  A  45  GLU  A  130  .  ?        ?  
276   6  2  B   .  ZN   A  201  .  ?        ?  
277   7  1  A   1  GLY  A   86  .  ?        ?  
278   7  1  A   2  THR  A   87  .  ?        ?  
279   7  1  A   3  GLN  A   88  .  ?        ?  
280   7  1  A   4  GLY  A   89  .  ?        ?  
281   7  1  A   5  GLU  A   90  .  ?        ?  
282   7  1  A   6  ARG  A   91  .  ?        ?  
283   7  1  A   7  CYS  A   92  .  ?        ?  
284   7  1  A   8  ALA  A   93  .  ?        ?  
285   7  1  A   9  VAL  A   94  .  ?        ?  
286   7  1  A  10  HIS  A   95  .  ?        ?  
287   7  1  A  11  GLY  A   96  .  ?        ?  
288   7  1  A  12  GLU  A   97  .  ?        ?  
289   7  1  A  13  ARG  A   98  .  ?        ?  
290   7  1  A  14  LEU  A   99  .  ?        ?  
291   7  1  A  15  HIS  A  100  .  ?        ?  
292   7  1  A  16  LEU  A  101  .  ?        ?  
293   7  1  A  17  PHE  A  102  .  ?        ?  
294   7  1  A  18  CYS  A  103  .  ?        ?  
295   7  1  A  19  GLU  A  104  .  ?        ?  
296   7  1  A  20  LYS  A  105  .  ?        ?  
297   7  1  A  21  ASP  A  106  .  ?        ?  
298   7  1  A  22  GLY  A  107  .  ?        ?  
299   7  1  A  23  LYS  A  108  .  ?        ?  
300   7  1  A  24  ALA  A  109  .  ?        ?  
301   7  1  A  25  LEU  A  110  .  ?        ?  
302   7  1  A  26  CYS  A  111  .  ?        1  
303   7  1  A  27  TRP  A  112  .  ?        ?  
304   7  1  A  28  VAL  A  113  .  ?        1  
305   7  1  A  29  CYS  A  114  .  ?        ?  
306   7  1  A  30  ALA  A  115  .  ?        ?  
307   7  1  A  31  GLN  A  116  .  ?        ?  
308   7  1  A  32  SER  A  117  .  ?        ?  
309   7  1  A  33  ARG  A  118  .  ?        ?  
310   7  1  A  34  LYS  A  119  .  ?        ?  
311   7  1  A  35  HIS  A  120  .  ?        ?  
312   7  1  A  36  ARG  A  121  .  ?        ?  
313   7  1  A  37  ASP  A  122  .  ?        ?  
314   7  1  A  38  HIS  A  123  .  ?        ?  
315   7  1  A  39  ALA  A  124  .  ?        ?  
316   7  1  A  40  MET  A  125  .  ?        ?  
317   7  1  A  41  VAL  A  126  .  ?        ?  
318   7  1  A  42  PRO  A  127  .  ?        ?  
319   7  1  A  43  LEU  A  128  .  ?        ?  
320   7  1  A  44  GLU  A  129  .  ?        ?  
321   7  1  A  45  GLU  A  130  .  ?        ?  
322   7  2  B   .  ZN   A  201  .  ?        ?  
323   8  1  A   1  GLY  A   86  .  ?        ?  
324   8  1  A   2  THR  A   87  .  ?        ?  
325   8  1  A   3  GLN  A   88  .  ?        ?  
326   8  1  A   4  GLY  A   89  .  ?        ?  
327   8  1  A   5  GLU  A   90  .  ?        ?  
328   8  1  A   6  ARG  A   91  .  ?        ?  
329   8  1  A   7  CYS  A   92  .  ?        ?  
330   8  1  A   8  ALA  A   93  .  ?        ?  
331   8  1  A   9  VAL  A   94  .  ?        ?  
332   8  1  A  10  HIS  A   95  .  ?        ?  
333   8  1  A  11  GLY  A   96  .  ?        ?  
334   8  1  A  12  GLU  A   97  .  ?        ?  
335   8  1  A  13  ARG  A   98  .  ?        ?  
336   8  1  A  14  LEU  A   99  .  ?        ?  
337   8  1  A  15  HIS  A  100  .  ?        ?  
338   8  1  A  16  LEU  A  101  .  ?        2  
339   8  1  A  17  PHE  A  102  .  ?        1  
340   8  1  A  18  CYS  A  103  .  ?        ?  
341   8  1  A  19  GLU  A  104  .  ?        1  
342   8  1  A  20  LYS  A  105  .  ?        ?  
343   8  1  A  21  ASP  A  106  .  ?        ?  
344   8  1  A  22  GLY  A  107  .  ?        ?  
345   8  1  A  23  LYS  A  108  .  ?        ?  
346   8  1  A  24  ALA  A  109  .  ?        ?  
347   8  1  A  25  LEU  A  110  .  ?        ?  
348   8  1  A  26  CYS  A  111  .  ?        ?  
349   8  1  A  27  TRP  A  112  .  ?        ?  
350   8  1  A  28  VAL  A  113  .  ?        ?  
351   8  1  A  29  CYS  A  114  .  ?        ?  
352   8  1  A  30  ALA  A  115  .  ?        1  
353   8  1  A  31  GLN  A  116  .  ?        ?  
354   8  1  A  32  SER  A  117  .  ?        ?  
355   8  1  A  33  ARG  A  118  .  ?        ?  
356   8  1  A  34  LYS  A  119  .  ?        ?  
357   8  1  A  35  HIS  A  120  .  ?        ?  
358   8  1  A  36  ARG  A  121  .  ?        1  
359   8  1  A  37  ASP  A  122  .  ?        ?  
360   8  1  A  38  HIS  A  123  .  ?        ?  
361   8  1  A  39  ALA  A  124  .  ?        1  
362   8  1  A  40  MET  A  125  .  ?        1  
363   8  1  A  41  VAL  A  126  .  ?        ?  
364   8  1  A  42  PRO  A  127  .  ?        ?  
365   8  1  A  43  LEU  A  128  .  ?        ?  
366   8  1  A  44  GLU  A  129  .  ?        ?  
367   8  1  A  45  GLU  A  130  .  ?        ?  
368   8  2  B   .  ZN   A  201  .  ?        ?  
369   9  1  A   1  GLY  A   86  .  ?        ?  
370   9  1  A   2  THR  A   87  .  ?        ?  
371   9  1  A   3  GLN  A   88  .  ?        ?  
372   9  1  A   4  GLY  A   89  .  ?        ?  
373   9  1  A   5  GLU  A   90  .  ?        ?  
374   9  1  A   6  ARG  A   91  .  ?        ?  
375   9  1  A   7  CYS  A   92  .  ?        ?  
376   9  1  A   8  ALA  A   93  .  ?        ?  
377   9  1  A   9  VAL  A   94  .  ?        ?  
378   9  1  A  10  HIS  A   95  .  ?        ?  
379   9  1  A  11  GLY  A   96  .  ?        ?  
380   9  1  A  12  GLU  A   97  .  ?        ?  
381   9  1  A  13  ARG  A   98  .  ?        ?  
382   9  1  A  14  LEU  A   99  .  ?        ?  
383   9  1  A  15  HIS  A  100  .  ?        ?  
384   9  1  A  16  LEU  A  101  .  ?        1  
385   9  1  A  17  PHE  A  102  .  ?        1  
386   9  1  A  18  CYS  A  103  .  ?        1  
387   9  1  A  19  GLU  A  104  .  ?        ?  
388   9  1  A  20  LYS  A  105  .  ?        ?  
389   9  1  A  21  ASP  A  106  .  ?        1  
390   9  1  A  22  GLY  A  107  .  ?        ?  
391   9  1  A  23  LYS  A  108  .  ?        ?  
392   9  1  A  24  ALA  A  109  .  ?        ?  
393   9  1  A  25  LEU  A  110  .  ?        ?  
394   9  1  A  26  CYS  A  111  .  ?        ?  
395   9  1  A  27  TRP  A  112  .  ?        ?  
396   9  1  A  28  VAL  A  113  .  ?        ?  
397   9  1  A  29  CYS  A  114  .  ?        ?  
398   9  1  A  30  ALA  A  115  .  ?        ?  
399   9  1  A  31  GLN  A  116  .  ?        ?  
400   9  1  A  32  SER  A  117  .  ?        ?  
401   9  1  A  33  ARG  A  118  .  ?        ?  
402   9  1  A  34  LYS  A  119  .  ?        ?  
403   9  1  A  35  HIS  A  120  .  ?        ?  
404   9  1  A  36  ARG  A  121  .  ?        ?  
405   9  1  A  37  ASP  A  122  .  ?        ?  
406   9  1  A  38  HIS  A  123  .  ?        ?  
407   9  1  A  39  ALA  A  124  .  ?        ?  
408   9  1  A  40  MET  A  125  .  ?        ?  
409   9  1  A  41  VAL  A  126  .  ?        ?  
410   9  1  A  42  PRO  A  127  .  ?        ?  
411   9  1  A  43  LEU  A  128  .  ?        ?  
412   9  1  A  44  GLU  A  129  .  ?        ?  
413   9  1  A  45  GLU  A  130  .  ?        ?  
414   9  2  B   .  ZN   A  201  .  ?        ?  
415  10  1  A   1  GLY  A   86  .  ?        ?  
416  10  1  A   2  THR  A   87  .  ?        ?  
417  10  1  A   3  GLN  A   88  .  ?        ?  
418  10  1  A   4  GLY  A   89  .  ?        ?  
419  10  1  A   5  GLU  A   90  .  ?        ?  
420  10  1  A   6  ARG  A   91  .  ?        ?  
421  10  1  A   7  CYS  A   92  .  ?        ?  
422  10  1  A   8  ALA  A   93  .  ?        ?  
423  10  1  A   9  VAL  A   94  .  ?        ?  
424  10  1  A  10  HIS  A   95  .  ?        ?  
425  10  1  A  11  GLY  A   96  .  ?        ?  
426  10  1  A  12  GLU  A   97  .  ?        ?  
427  10  1  A  13  ARG  A   98  .  ?        ?  
428  10  1  A  14  LEU  A   99  .  ?        ?  
429  10  1  A  15  HIS  A  100  .  ?        ?  
430  10  1  A  16  LEU  A  101  .  ?        ?  
431  10  1  A  17  PHE  A  102  .  ?        ?  
432  10  1  A  18  CYS  A  103  .  ?        ?  
433  10  1  A  19  GLU  A  104  .  ?        ?  
434  10  1  A  20  LYS  A  105  .  ?        ?  
435  10  1  A  21  ASP  A  106  .  ?        ?  
436  10  1  A  22  GLY  A  107  .  ?        ?  
437  10  1  A  23  LYS  A  108  .  ?        ?  
438  10  1  A  24  ALA  A  109  .  ?        ?  
439  10  1  A  25  LEU  A  110  .  ?        ?  
440  10  1  A  26  CYS  A  111  .  ?        ?  
441  10  1  A  27  TRP  A  112  .  ?        ?  
442  10  1  A  28  VAL  A  113  .  ?        ?  
443  10  1  A  29  CYS  A  114  .  ?        ?  
444  10  1  A  30  ALA  A  115  .  ?        ?  
445  10  1  A  31  GLN  A  116  .  ?        ?  
446  10  1  A  32  SER  A  117  .  ?        ?  
447  10  1  A  33  ARG  A  118  .  ?        ?  
448  10  1  A  34  LYS  A  119  .  ?        ?  
449  10  1  A  35  HIS  A  120  .  ?        ?  
450  10  1  A  36  ARG  A  121  .  ?        ?  
451  10  1  A  37  ASP  A  122  .  ?        ?  
452  10  1  A  38  HIS  A  123  .  ?        ?  
453  10  1  A  39  ALA  A  124  .  ?        ?  
454  10  1  A  40  MET  A  125  .  ?        ?  
455  10  1  A  41  VAL  A  126  .  ?        ?  
456  10  1  A  42  PRO  A  127  .  ?        ?  
457  10  1  A  43  LEU  A  128  .  ?        ?  
458  10  1  A  44  GLU  A  129  .  ?        ?  
459  10  1  A  45  GLU  A  130  .  ?        ?  
460  10  2  B   .  ZN   A  201  .  ?        ?  
461  11  1  A   1  GLY  A   86  .  ?        ?  
462  11  1  A   2  THR  A   87  .  ?        ?  
463  11  1  A   3  GLN  A   88  .  ?        ?  
464  11  1  A   4  GLY  A   89  .  ?        ?  
465  11  1  A   5  GLU  A   90  .  ?        ?  
466  11  1  A   6  ARG  A   91  .  ?        ?  
467  11  1  A   7  CYS  A   92  .  ?        ?  
468  11  1  A   8  ALA  A   93  .  ?        ?  
469  11  1  A   9  VAL  A   94  .  ?        ?  
470  11  1  A  10  HIS  A   95  .  ?        ?  
471  11  1  A  11  GLY  A   96  .  ?        ?  
472  11  1  A  12  GLU  A   97  .  ?        ?  
473  11  1  A  13  ARG  A   98  .  ?        ?  
474  11  1  A  14  LEU  A   99  .  ?        ?  
475  11  1  A  15  HIS  A  100  .  ?        ?  
476  11  1  A  16  LEU  A  101  .  ?        ?  
477  11  1  A  17  PHE  A  102  .  ?        ?  
478  11  1  A  18  CYS  A  103  .  ?        1  
479  11  1  A  19  GLU  A  104  .  ?        ?  
480  11  1  A  20  LYS  A  105  .  ?        ?  
481  11  1  A  21  ASP  A  106  .  ?        1  
482  11  1  A  22  GLY  A  107  .  ?        ?  
483  11  1  A  23  LYS  A  108  .  ?        ?  
484  11  1  A  24  ALA  A  109  .  ?        ?  
485  11  1  A  25  LEU  A  110  .  ?        ?  
486  11  1  A  26  CYS  A  111  .  ?        ?  
487  11  1  A  27  TRP  A  112  .  ?        ?  
488  11  1  A  28  VAL  A  113  .  ?        ?  
489  11  1  A  29  CYS  A  114  .  ?        ?  
490  11  1  A  30  ALA  A  115  .  ?        ?  
491  11  1  A  31  GLN  A  116  .  ?        ?  
492  11  1  A  32  SER  A  117  .  ?        ?  
493  11  1  A  33  ARG  A  118  .  ?        ?  
494  11  1  A  34  LYS  A  119  .  ?        ?  
495  11  1  A  35  HIS  A  120  .  ?        ?  
496  11  1  A  36  ARG  A  121  .  ?        ?  
497  11  1  A  37  ASP  A  122  .  ?        ?  
498  11  1  A  38  HIS  A  123  .  ?        ?  
499  11  1  A  39  ALA  A  124  .  ?        ?  
500  11  1  A  40  MET  A  125  .  ?        ?  
501  11  1  A  41  VAL  A  126  .  ?        ?  
502  11  1  A  42  PRO  A  127  .  ?        ?  
503  11  1  A  43  LEU  A  128  .  ?        ?  
504  11  1  A  44  GLU  A  129  .  ?        ?  
505  11  1  A  45  GLU  A  130  .  ?        ?  
506  11  2  B   .  ZN   A  201  .  ?        ?  
507  12  1  A   1  GLY  A   86  .  ?        ?  
508  12  1  A   2  THR  A   87  .  ?        ?  
509  12  1  A   3  GLN  A   88  .  ?        ?  
510  12  1  A   4  GLY  A   89  .  ?        ?  
511  12  1  A   5  GLU  A   90  .  ?        ?  
512  12  1  A   6  ARG  A   91  .  ?        ?  
513  12  1  A   7  CYS  A   92  .  ?        ?  
514  12  1  A   8  ALA  A   93  .  ?        ?  
515  12  1  A   9  VAL  A   94  .  ?        ?  
516  12  1  A  10  HIS  A   95  .  ?        ?  
517  12  1  A  11  GLY  A   96  .  ?        ?  
518  12  1  A  12  GLU  A   97  .  ?        ?  
519  12  1  A  13  ARG  A   98  .  ?        ?  
520  12  1  A  14  LEU  A   99  .  ?        ?  
521  12  1  A  15  HIS  A  100  .  ?        ?  
522  12  1  A  16  LEU  A  101  .  ?        ?  
523  12  1  A  17  PHE  A  102  .  ?        ?  
524  12  1  A  18  CYS  A  103  .  ?        1  
525  12  1  A  19  GLU  A  104  .  ?        ?  
526  12  1  A  20  LYS  A  105  .  ?        ?  
527  12  1  A  21  ASP  A  106  .  ?        1  
528  12  1  A  22  GLY  A  107  .  ?        ?  
529  12  1  A  23  LYS  A  108  .  ?        ?  
530  12  1  A  24  ALA  A  109  .  ?        ?  
531  12  1  A  25  LEU  A  110  .  ?        ?  
532  12  1  A  26  CYS  A  111  .  ?        1  
533  12  1  A  27  TRP  A  112  .  ?        ?  
534  12  1  A  28  VAL  A  113  .  ?        1  
535  12  1  A  29  CYS  A  114  .  ?        ?  
536  12  1  A  30  ALA  A  115  .  ?        ?  
537  12  1  A  31  GLN  A  116  .  ?        ?  
538  12  1  A  32  SER  A  117  .  ?        ?  
539  12  1  A  33  ARG  A  118  .  ?        ?  
540  12  1  A  34  LYS  A  119  .  ?        ?  
541  12  1  A  35  HIS  A  120  .  ?        ?  
542  12  1  A  36  ARG  A  121  .  ?        ?  
543  12  1  A  37  ASP  A  122  .  ?        ?  
544  12  1  A  38  HIS  A  123  .  ?        ?  
545  12  1  A  39  ALA  A  124  .  ?        ?  
546  12  1  A  40  MET  A  125  .  ?        ?  
547  12  1  A  41  VAL  A  126  .  ?        ?  
548  12  1  A  42  PRO  A  127  .  ?        ?  
549  12  1  A  43  LEU  A  128  .  ?        ?  
550  12  1  A  44  GLU  A  129  .  ?        ?  
551  12  1  A  45  GLU  A  130  .  ?        ?  
552  12  2  B   .  ZN   A  201  .  ?        ?  
553  13  1  A   1  GLY  A   86  .  ?        ?  
554  13  1  A   2  THR  A   87  .  ?        ?  
555  13  1  A   3  GLN  A   88  .  ?        ?  
556  13  1  A   4  GLY  A   89  .  ?        ?  
557  13  1  A   5  GLU  A   90  .  ?        ?  
558  13  1  A   6  ARG  A   91  .  ?        ?  
559  13  1  A   7  CYS  A   92  .  ?        ?  
560  13  1  A   8  ALA  A   93  .  ?        ?  
561  13  1  A   9  VAL  A   94  .  ?        ?  
562  13  1  A  10  HIS  A   95  .  ?        ?  
563  13  1  A  11  GLY  A   96  .  ?        ?  
564  13  1  A  12  GLU  A   97  .  ?        ?  
565  13  1  A  13  ARG  A   98  .  ?        ?  
566  13  1  A  14  LEU  A   99  .  ?        ?  
567  13  1  A  15  HIS  A  100  .  ?        ?  
568  13  1  A  16  LEU  A  101  .  ?        ?  
569  13  1  A  17  PHE  A  102  .  ?        ?  
570  13  1  A  18  CYS  A  103  .  ?        ?  
571  13  1  A  19  GLU  A  104  .  ?        ?  
572  13  1  A  20  LYS  A  105  .  ?        1  
573  13  1  A  21  ASP  A  106  .  ?        ?  
574  13  1  A  22  GLY  A  107  .  ?        ?  
575  13  1  A  23  LYS  A  108  .  ?        ?  
576  13  1  A  24  ALA  A  109  .  ?        ?  
577  13  1  A  25  LEU  A  110  .  ?        ?  
578  13  1  A  26  CYS  A  111  .  ?        ?  
579  13  1  A  27  TRP  A  112  .  ?        ?  
580  13  1  A  28  VAL  A  113  .  ?        ?  
581  13  1  A  29  CYS  A  114  .  ?        ?  
582  13  1  A  30  ALA  A  115  .  ?        ?  
583  13  1  A  31  GLN  A  116  .  ?        ?  
584  13  1  A  32  SER  A  117  .  ?        ?  
585  13  1  A  33  ARG  A  118  .  ?        ?  
586  13  1  A  34  LYS  A  119  .  ?        ?  
587  13  1  A  35  HIS  A  120  .  ?        ?  
588  13  1  A  36  ARG  A  121  .  ?        ?  
589  13  1  A  37  ASP  A  122  .  ?        2  
590  13  1  A  38  HIS  A  123  .  ?        ?  
591  13  1  A  39  ALA  A  124  .  ?        ?  
592  13  1  A  40  MET  A  125  .  ?        3  
593  13  1  A  41  VAL  A  126  .  ?        ?  
594  13  1  A  42  PRO  A  127  .  ?        ?  
595  13  1  A  43  LEU  A  128  .  ?        ?  
596  13  1  A  44  GLU  A  129  .  ?        ?  
597  13  1  A  45  GLU  A  130  .  ?        ?  
598  13  2  B   .  ZN   A  201  .  ?        ?  
599  14  1  A   1  GLY  A   86  .  ?        ?  
600  14  1  A   2  THR  A   87  .  ?        ?  
601  14  1  A   3  GLN  A   88  .  ?        ?  
602  14  1  A   4  GLY  A   89  .  ?        ?  
603  14  1  A   5  GLU  A   90  .  ?        ?  
604  14  1  A   6  ARG  A   91  .  ?        ?  
605  14  1  A   7  CYS  A   92  .  ?        ?  
606  14  1  A   8  ALA  A   93  .  ?        ?  
607  14  1  A   9  VAL  A   94  .  ?        ?  
608  14  1  A  10  HIS  A   95  .  ?        ?  
609  14  1  A  11  GLY  A   96  .  ?        ?  
610  14  1  A  12  GLU  A   97  .  ?        ?  
611  14  1  A  13  ARG  A   98  .  ?        ?  
612  14  1  A  14  LEU  A   99  .  ?        ?  
613  14  1  A  15  HIS  A  100  .  ?        ?  
614  14  1  A  16  LEU  A  101  .  ?        ?  
615  14  1  A  17  PHE  A  102  .  ?        ?  
616  14  1  A  18  CYS  A  103  .  ?        ?  
617  14  1  A  19  GLU  A  104  .  ?        ?  
618  14  1  A  20  LYS  A  105  .  ?        ?  
619  14  1  A  21  ASP  A  106  .  ?        ?  
620  14  1  A  22  GLY  A  107  .  ?        ?  
621  14  1  A  23  LYS  A  108  .  ?        ?  
622  14  1  A  24  ALA  A  109  .  ?        ?  
623  14  1  A  25  LEU  A  110  .  ?        ?  
624  14  1  A  26  CYS  A  111  .  ?        1  
625  14  1  A  27  TRP  A  112  .  ?        ?  
626  14  1  A  28  VAL  A  113  .  ?        1  
627  14  1  A  29  CYS  A  114  .  ?        ?  
628  14  1  A  30  ALA  A  115  .  ?        ?  
629  14  1  A  31  GLN  A  116  .  ?        ?  
630  14  1  A  32  SER  A  117  .  ?        ?  
631  14  1  A  33  ARG  A  118  .  ?        ?  
632  14  1  A  34  LYS  A  119  .  ?        ?  
633  14  1  A  35  HIS  A  120  .  ?        ?  
634  14  1  A  36  ARG  A  121  .  ?        ?  
635  14  1  A  37  ASP  A  122  .  ?        ?  
636  14  1  A  38  HIS  A  123  .  ?        ?  
637  14  1  A  39  ALA  A  124  .  ?        ?  
638  14  1  A  40  MET  A  125  .  ?        ?  
639  14  1  A  41  VAL  A  126  .  ?        ?  
640  14  1  A  42  PRO  A  127  .  ?        ?  
641  14  1  A  43  LEU  A  128  .  ?        ?  
642  14  1  A  44  GLU  A  129  .  ?        ?  
643  14  1  A  45  GLU  A  130  .  ?        ?  
644  14  2  B   .  ZN   A  201  .  ?        ?  
645  15  1  A   1  GLY  A   86  .  ?        ?  
646  15  1  A   2  THR  A   87  .  ?        ?  
647  15  1  A   3  GLN  A   88  .  ?        ?  
648  15  1  A   4  GLY  A   89  .  ?        ?  
649  15  1  A   5  GLU  A   90  .  ?        ?  
650  15  1  A   6  ARG  A   91  .  ?        ?  
651  15  1  A   7  CYS  A   92  .  ?        ?  
652  15  1  A   8  ALA  A   93  .  ?        ?  
653  15  1  A   9  VAL  A   94  .  ?        ?  
654  15  1  A  10  HIS  A   95  .  ?        ?  
655  15  1  A  11  GLY  A   96  .  ?        ?  
656  15  1  A  12  GLU  A   97  .  ?        ?  
657  15  1  A  13  ARG  A   98  .  ?        ?  
658  15  1  A  14  LEU  A   99  .  ?        ?  
659  15  1  A  15  HIS  A  100  .  ?        ?  
660  15  1  A  16  LEU  A  101  .  ?        1  
661  15  1  A  17  PHE  A  102  .  ?        ?  
662  15  1  A  18  CYS  A  103  .  ?        ?  
663  15  1  A  19  GLU  A  104  .  ?        ?  
664  15  1  A  20  LYS  A  105  .  ?        ?  
665  15  1  A  21  ASP  A  106  .  ?        ?  
666  15  1  A  22  GLY  A  107  .  ?        ?  
667  15  1  A  23  LYS  A  108  .  ?        ?  
668  15  1  A  24  ALA  A  109  .  ?        ?  
669  15  1  A  25  LEU  A  110  .  ?        ?  
670  15  1  A  26  CYS  A  111  .  ?        ?  
671  15  1  A  27  TRP  A  112  .  ?        ?  
672  15  1  A  28  VAL  A  113  .  ?        ?  
673  15  1  A  29  CYS  A  114  .  ?        ?  
674  15  1  A  30  ALA  A  115  .  ?        1  
675  15  1  A  31  GLN  A  116  .  ?        ?  
676  15  1  A  32  SER  A  117  .  ?        ?  
677  15  1  A  33  ARG  A  118  .  ?        ?  
678  15  1  A  34  LYS  A  119  .  ?        ?  
679  15  1  A  35  HIS  A  120  .  ?        ?  
680  15  1  A  36  ARG  A  121  .  ?        ?  
681  15  1  A  37  ASP  A  122  .  ?        ?  
682  15  1  A  38  HIS  A  123  .  ?        ?  
683  15  1  A  39  ALA  A  124  .  ?        ?  
684  15  1  A  40  MET  A  125  .  ?        ?  
685  15  1  A  41  VAL  A  126  .  ?        ?  
686  15  1  A  42  PRO  A  127  .  ?        ?  
687  15  1  A  43  LEU  A  128  .  ?        ?  
688  15  1  A  44  GLU  A  129  .  ?        ?  
689  15  1  A  45  GLU  A  130  .  ?        ?  
690  15  2  B   .  ZN   A  201  .  ?        ?  
691  16  1  A   1  GLY  A   86  .  ?        ?  
692  16  1  A   2  THR  A   87  .  ?        ?  
693  16  1  A   3  GLN  A   88  .  ?        ?  
694  16  1  A   4  GLY  A   89  .  ?        ?  
695  16  1  A   5  GLU  A   90  .  ?        ?  
696  16  1  A   6  ARG  A   91  .  ?        ?  
697  16  1  A   7  CYS  A   92  .  ?        ?  
698  16  1  A   8  ALA  A   93  .  ?        ?  
699  16  1  A   9  VAL  A   94  .  ?        ?  
700  16  1  A  10  HIS  A   95  .  ?        ?  
701  16  1  A  11  GLY  A   96  .  ?        ?  
702  16  1  A  12  GLU  A   97  .  ?        ?  
703  16  1  A  13  ARG  A   98  .  ?        ?  
704  16  1  A  14  LEU  A   99  .  ?        ?  
705  16  1  A  15  HIS  A  100  .  ?        ?  
706  16  1  A  16  LEU  A  101  .  ?        ?  
707  16  1  A  17  PHE  A  102  .  ?        ?  
708  16  1  A  18  CYS  A  103  .  ?        ?  
709  16  1  A  19  GLU  A  104  .  ?        ?  
710  16  1  A  20  LYS  A  105  .  ?        ?  
711  16  1  A  21  ASP  A  106  .  ?        ?  
712  16  1  A  22  GLY  A  107  .  ?        ?  
713  16  1  A  23  LYS  A  108  .  ?        ?  
714  16  1  A  24  ALA  A  109  .  ?        ?  
715  16  1  A  25  LEU  A  110  .  ?        ?  
716  16  1  A  26  CYS  A  111  .  ?        1  
717  16  1  A  27  TRP  A  112  .  ?        ?  
718  16  1  A  28  VAL  A  113  .  ?        1  
719  16  1  A  29  CYS  A  114  .  ?        ?  
720  16  1  A  30  ALA  A  115  .  ?        ?  
721  16  1  A  31  GLN  A  116  .  ?        ?  
722  16  1  A  32  SER  A  117  .  ?        ?  
723  16  1  A  33  ARG  A  118  .  ?        ?  
724  16  1  A  34  LYS  A  119  .  ?        ?  
725  16  1  A  35  HIS  A  120  .  ?        ?  
726  16  1  A  36  ARG  A  121  .  ?        ?  
727  16  1  A  37  ASP  A  122  .  ?        ?  
728  16  1  A  38  HIS  A  123  .  ?        ?  
729  16  1  A  39  ALA  A  124  .  ?        ?  
730  16  1  A  40  MET  A  125  .  ?        ?  
731  16  1  A  41  VAL  A  126  .  ?        ?  
732  16  1  A  42  PRO  A  127  .  ?        ?  
733  16  1  A  43  LEU  A  128  .  ?        ?  
734  16  1  A  44  GLU  A  129  .  ?        ?  
735  16  1  A  45  GLU  A  130  .  ?        ?  
736  16  2  B   .  ZN   A  201  .  ?        ?  
737  17  1  A   1  GLY  A   86  .  ?        ?  
738  17  1  A   2  THR  A   87  .  ?        ?  
739  17  1  A   3  GLN  A   88  .  ?        ?  
740  17  1  A   4  GLY  A   89  .  ?        ?  
741  17  1  A   5  GLU  A   90  .  ?        ?  
742  17  1  A   6  ARG  A   91  .  ?        ?  
743  17  1  A   7  CYS  A   92  .  ?        ?  
744  17  1  A   8  ALA  A   93  .  ?        ?  
745  17  1  A   9  VAL  A   94  .  ?        ?  
746  17  1  A  10  HIS  A   95  .  ?        ?  
747  17  1  A  11  GLY  A   96  .  ?        ?  
748  17  1  A  12  GLU  A   97  .  ?        ?  
749  17  1  A  13  ARG  A   98  .  ?        ?  
750  17  1  A  14  LEU  A   99  .  ?        ?  
751  17  1  A  15  HIS  A  100  .  ?        ?  
752  17  1  A  16  LEU  A  101  .  ?        1  
753  17  1  A  17  PHE  A  102  .  ?        ?  
754  17  1  A  18  CYS  A  103  .  ?        ?  
755  17  1  A  19  GLU  A  104  .  ?        ?  
756  17  1  A  20  LYS  A  105  .  ?        ?  
757  17  1  A  21  ASP  A  106  .  ?        ?  
758  17  1  A  22  GLY  A  107  .  ?        ?  
759  17  1  A  23  LYS  A  108  .  ?        ?  
760  17  1  A  24  ALA  A  109  .  ?        ?  
761  17  1  A  25  LEU  A  110  .  ?        ?  
762  17  1  A  26  CYS  A  111  .  ?        ?  
763  17  1  A  27  TRP  A  112  .  ?        ?  
764  17  1  A  28  VAL  A  113  .  ?        ?  
765  17  1  A  29  CYS  A  114  .  ?        ?  
766  17  1  A  30  ALA  A  115  .  ?        ?  
767  17  1  A  31  GLN  A  116  .  ?        ?  
768  17  1  A  32  SER  A  117  .  ?        ?  
769  17  1  A  33  ARG  A  118  .  ?        ?  
770  17  1  A  34  LYS  A  119  .  ?        ?  
771  17  1  A  35  HIS  A  120  .  ?        ?  
772  17  1  A  36  ARG  A  121  .  ?        ?  
773  17  1  A  37  ASP  A  122  .  ?        ?  
774  17  1  A  38  HIS  A  123  .  ?        ?  
775  17  1  A  39  ALA  A  124  .  ?        ?  
776  17  1  A  40  MET  A  125  .  ?        1  
777  17  1  A  41  VAL  A  126  .  ?        ?  
778  17  1  A  42  PRO  A  127  .  ?        ?  
779  17  1  A  43  LEU  A  128  .  ?        ?  
780  17  1  A  44  GLU  A  129  .  ?        ?  
781  17  1  A  45  GLU  A  130  .  ?        ?  
782  17  2  B   .  ZN   A  201  .  ?        ?  
783  18  1  A   1  GLY  A   86  .  ?        ?  
784  18  1  A   2  THR  A   87  .  ?        ?  
785  18  1  A   3  GLN  A   88  .  ?        ?  
786  18  1  A   4  GLY  A   89  .  ?        ?  
787  18  1  A   5  GLU  A   90  .  ?        ?  
788  18  1  A   6  ARG  A   91  .  ?        ?  
789  18  1  A   7  CYS  A   92  .  ?        ?  
790  18  1  A   8  ALA  A   93  .  ?        ?  
791  18  1  A   9  VAL  A   94  .  ?        ?  
792  18  1  A  10  HIS  A   95  .  ?        ?  
793  18  1  A  11  GLY  A   96  .  ?        ?  
794  18  1  A  12  GLU  A   97  .  ?        ?  
795  18  1  A  13  ARG  A   98  .  ?        ?  
796  18  1  A  14  LEU  A   99  .  ?        ?  
797  18  1  A  15  HIS  A  100  .  ?        ?  
798  18  1  A  16  LEU  A  101  .  ?        1  
799  18  1  A  17  PHE  A  102  .  ?        ?  
800  18  1  A  18  CYS  A  103  .  ?        ?  
801  18  1  A  19  GLU  A  104  .  ?        ?  
802  18  1  A  20  LYS  A  105  .  ?        ?  
803  18  1  A  21  ASP  A  106  .  ?        ?  
804  18  1  A  22  GLY  A  107  .  ?        ?  
805  18  1  A  23  LYS  A  108  .  ?        ?  
806  18  1  A  24  ALA  A  109  .  ?        ?  
807  18  1  A  25  LEU  A  110  .  ?        ?  
808  18  1  A  26  CYS  A  111  .  ?        1  
809  18  1  A  27  TRP  A  112  .  ?        ?  
810  18  1  A  28  VAL  A  113  .  ?        1  
811  18  1  A  29  CYS  A  114  .  ?        ?  
812  18  1  A  30  ALA  A  115  .  ?        1  
813  18  1  A  31  GLN  A  116  .  ?        ?  
814  18  1  A  32  SER  A  117  .  ?        ?  
815  18  1  A  33  ARG  A  118  .  ?        ?  
816  18  1  A  34  LYS  A  119  .  ?        ?  
817  18  1  A  35  HIS  A  120  .  ?        ?  
818  18  1  A  36  ARG  A  121  .  ?        ?  
819  18  1  A  37  ASP  A  122  .  ?        ?  
820  18  1  A  38  HIS  A  123  .  ?        ?  
821  18  1  A  39  ALA  A  124  .  ?        ?  
822  18  1  A  40  MET  A  125  .  ?        ?  
823  18  1  A  41  VAL  A  126  .  ?        ?  
824  18  1  A  42  PRO  A  127  .  ?        ?  
825  18  1  A  43  LEU  A  128  .  ?        ?  
826  18  1  A  44  GLU  A  129  .  ?        ?  
827  18  1  A  45  GLU  A  130  .  ?        ?  
828  18  2  B   .  ZN   A  201  .  ?        ?  
829  19  1  A   1  GLY  A   86  .  ?        ?  
830  19  1  A   2  THR  A   87  .  ?        ?  
831  19  1  A   3  GLN  A   88  .  ?        ?  
832  19  1  A   4  GLY  A   89  .  ?        ?  
833  19  1  A   5  GLU  A   90  .  ?        ?  
834  19  1  A   6  ARG  A   91  .  ?        ?  
835  19  1  A   7  CYS  A   92  .  ?        ?  
836  19  1  A   8  ALA  A   93  .  ?        ?  
837  19  1  A   9  VAL  A   94  .  ?        ?  
838  19  1  A  10  HIS  A   95  .  ?        ?  
839  19  1  A  11  GLY  A   96  .  ?        ?  
840  19  1  A  12  GLU  A   97  .  ?        ?  
841  19  1  A  13  ARG  A   98  .  ?        ?  
842  19  1  A  14  LEU  A   99  .  ?        ?  
843  19  1  A  15  HIS  A  100  .  ?        ?  
844  19  1  A  16  LEU  A  101  .  ?        ?  
845  19  1  A  17  PHE  A  102  .  ?        ?  
846  19  1  A  18  CYS  A  103  .  ?        ?  
847  19  1  A  19  GLU  A  104  .  ?        ?  
848  19  1  A  20  LYS  A  105  .  ?        ?  
849  19  1  A  21  ASP  A  106  .  ?        ?  
850  19  1  A  22  GLY  A  107  .  ?        ?  
851  19  1  A  23  LYS  A  108  .  ?        ?  
852  19  1  A  24  ALA  A  109  .  ?        ?  
853  19  1  A  25  LEU  A  110  .  ?        ?  
854  19  1  A  26  CYS  A  111  .  ?        1  
855  19  1  A  27  TRP  A  112  .  ?        ?  
856  19  1  A  28  VAL  A  113  .  ?        1  
857  19  1  A  29  CYS  A  114  .  ?        ?  
858  19  1  A  30  ALA  A  115  .  ?        ?  
859  19  1  A  31  GLN  A  116  .  ?        ?  
860  19  1  A  32  SER  A  117  .  ?        ?  
861  19  1  A  33  ARG  A  118  .  ?        ?  
862  19  1  A  34  LYS  A  119  .  ?        ?  
863  19  1  A  35  HIS  A  120  .  ?        ?  
864  19  1  A  36  ARG  A  121  .  ?        ?  
865  19  1  A  37  ASP  A  122  .  ?        ?  
866  19  1  A  38  HIS  A  123  .  ?        ?  
867  19  1  A  39  ALA  A  124  .  ?        ?  
868  19  1  A  40  MET  A  125  .  ?        ?  
869  19  1  A  41  VAL  A  126  .  ?        ?  
870  19  1  A  42  PRO  A  127  .  ?        ?  
871  19  1  A  43  LEU  A  128  .  ?        ?  
872  19  1  A  44  GLU  A  129  .  ?        ?  
873  19  1  A  45  GLU  A  130  .  ?        ?  
874  19  2  B   .  ZN   A  201  .  ?        ?  
875  20  1  A   1  GLY  A   86  .  ?        ?  
876  20  1  A   2  THR  A   87  .  ?        ?  
877  20  1  A   3  GLN  A   88  .  ?        ?  
878  20  1  A   4  GLY  A   89  .  ?        ?  
879  20  1  A   5  GLU  A   90  .  ?        ?  
880  20  1  A   6  ARG  A   91  .  ?        ?  
881  20  1  A   7  CYS  A   92  .  ?        ?  
882  20  1  A   8  ALA  A   93  .  ?        ?  
883  20  1  A   9  VAL  A   94  .  ?        ?  
884  20  1  A  10  HIS  A   95  .  ?        ?  
885  20  1  A  11  GLY  A   96  .  ?        ?  
886  20  1  A  12  GLU  A   97  .  ?        ?  
887  20  1  A  13  ARG  A   98  .  ?        ?  
888  20  1  A  14  LEU  A   99  .  ?        ?  
889  20  1  A  15  HIS  A  100  .  ?        ?  
890  20  1  A  16  LEU  A  101  .  ?        1  
891  20  1  A  17  PHE  A  102  .  ?        ?  
892  20  1  A  18  CYS  A  103  .  ?        ?  
893  20  1  A  19  GLU  A  104  .  ?        ?  
894  20  1  A  20  LYS  A  105  .  ?        ?  
895  20  1  A  21  ASP  A  106  .  ?        ?  
896  20  1  A  22  GLY  A  107  .  ?        ?  
897  20  1  A  23  LYS  A  108  .  ?        ?  
898  20  1  A  24  ALA  A  109  .  ?        ?  
899  20  1  A  25  LEU  A  110  .  ?        ?  
900  20  1  A  26  CYS  A  111  .  ?        1  
901  20  1  A  27  TRP  A  112  .  ?        ?  
902  20  1  A  28  VAL  A  113  .  ?        1  
903  20  1  A  29  CYS  A  114  .  ?        ?  
904  20  1  A  30  ALA  A  115  .  ?        ?  
905  20  1  A  31  GLN  A  116  .  ?        ?  
906  20  1  A  32  SER  A  117  .  ?        ?  
907  20  1  A  33  ARG  A  118  .  ?        ?  
908  20  1  A  34  LYS  A  119  .  ?        ?  
909  20  1  A  35  HIS  A  120  .  ?        ?  
910  20  1  A  36  ARG  A  121  .  ?        ?  
911  20  1  A  37  ASP  A  122  .  ?        ?  
912  20  1  A  38  HIS  A  123  .  ?        ?  
913  20  1  A  39  ALA  A  124  .  ?        ?  
914  20  1  A  40  MET  A  125  .  ?        1  
915  20  1  A  41  VAL  A  126  .  ?        ?  
916  20  1  A  42  PRO  A  127  .  ?        ?  
917  20  1  A  43  LEU  A  128  .  ?        ?  
918  20  1  A  44  GLU  A  129  .  ?        ?  
919  20  1  A  45  GLU  A  130  .  ?        ?  
920  20  2  B   .  ZN   A  201  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  ?             ?       ?  ?           2     4  0.40     5  0.74  molprobity     ?  False  
  2    2  p         -73.7    90.0  Allowed     7     7  0.95    10  0.37  molprobity     ?  False  
  3    3  tt0       -64.6   102.0  Allowed     8     9  0.76    12  0.46  molprobity     ?  False  
  4    4  ?         124.4   104.8  Allowed     3     4  0.32     5  0.74  molprobity     ?  False  
  5    5  mt-10     -86.4    99.5  Favored     6     9  0.87    12  0.63  molprobity     1  True   
  6    6  mpt_?     -88.0   155.8  Favored    13    11  0.77    14  1.18  molprobity     1  True   
  7    7  OUTLIER   -74.5   100.6  Favored     4     6  0.82     8  0.66  molprobity     1  True   
  8    8  ?         -68.5   -28.2  Favored     5     5  0.70     7  0.47  molprobity     1  True   
  9    9  t         -59.3   -43.4  Favored     9     7  1.11    10  0.43  molprobity     1  True   
 10   10  OUTLIER   -98.0   -37.8  Favored     7    11  0.66    15  0.58  molprobity     1  True   
 11   11  ?          92.6    49.5  Favored     3     4  0.56     5  0.52  molprobity     1  True   
 12   12  pt-20    -138.5   161.6  Favored     6     9  0.89    12  0.54  molprobity     1  True   
 13   13  ttp180    -68.0   137.4  Favored    13    11  0.84    14  0.74  molprobity     1  True   
 14   14  pp       -111.3   138.3  Favored    11     8  1.25    11  1.00  molprobity     1  True   
 15   15  m-70     -141.1    96.6  Favored     7    11  0.57    15  0.62  molprobity     1  True   
 16   16  tm?      -170.3   141.4  Favored    11     8  1.15    11  0.95  molprobity     1  True   
 17   17  t80      -125.9   111.5  Favored     9    12  0.67    16  0.43  molprobity     1  True   
 18   18  m         -73.7   112.3  Favored     5     6  0.40     8  0.55  molprobity     1  True   
 19   19  mt-10     -74.1   -37.7  Favored     6     9  0.70    12  0.77  molprobity     1  True   
 20   20  ptmm?     -63.1   -47.0  Favored    13     9  0.89    11  0.51  molprobity     1  True   
 21   21  m-20      -84.6   -29.0  Favored     4     8  0.71    11  0.52  molprobity     1  True   
 22   22  ?          66.6    43.7  Favored     3     4  0.48     5  0.81  molprobity     1  True   
 23   23  mtpt     -134.3   157.6  Favored    13     9  0.95    11  0.44  molprobity     1  True   
 24   24  ?        -103.1   107.9  Favored     5     5  0.68     7  0.56  molprobity     1  True   
 25   25  mt       -107.8  -175.6  Favored    11     8  0.87    11  0.34  molprobity     1  True   
 26   26  p        -110.4   176.7  Favored     4     6  0.72     8  0.50  molprobity     1  True   
 27   27  t90       -57.0   -42.4  Favored    10    16  0.62    23  0.34  molprobity     1  True   
 28   28  t         -61.0   -36.5  Favored     9     7  1.24    10  0.39  molprobity     1  True   
 29   29  m         -78.1   -21.8  Favored     4     6  0.76     8  0.34  molprobity     1  True   
 30   30  ?         -72.8   -34.9  Favored     5     5  0.75     7  0.69  molprobity     1  True   
 31   31  mm100     -79.5    -7.5  Favored     8     9  0.73    12  0.46  molprobity     1  True   
 32   32  t         -64.8   134.4  Favored     5     6  0.67     8  0.54  molprobity     1  True   
 33   33  ptp85     -66.6   -17.1  Favored    13    11  1.00    14  0.75  molprobity     ?  False  
 34   34  mmtt      -68.1   -61.1  Favored    13     9  0.64    11  0.80  molprobity     ?  False  
 35   35  m-70      -81.6   111.9  Favored     7    11  0.60    15  0.49  molprobity     ?  False  
 36   36  mmt180    -65.1   103.2  Allowed    13    11  0.91    14  0.83  molprobity     ?  False  
 37   37  p-10      -64.8   117.3  Favored     4     8  0.80    11  0.65  molprobity     ?  False  
 38   38  t-80     -159.2   -81.2  Allowed     7    11  0.60    15  0.43  molprobity     ?  False  
 39   39  ?         -93.2    73.0  Favored     5     5  0.49     7  0.82  molprobity     1  True   
 40   40  mtm      -144.2   119.0  Favored     9     8  0.80    10  0.95  molprobity     1  True   
 41   41  m        -121.5   137.7  Favored     9     7  1.38    11  0.52  molprobity     1  True   
 42   42  Cg_endo   -61.9   155.3  Favored     7     8  0.92    11  0.36  molprobity     1  True   
 43   43  mt        -75.3    93.2  Favored    11     8  0.96    11  0.46  molprobity     1  True   
 44   44  mm-40     -97.8    22.8  Favored     6     9  0.91    12  0.61  molprobity     ?  False  
 45   45  mp0           ?       ?  ?           6     7  1.29     8  0.66  molprobity     ?  False  
 46   46  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 47   47  ?             ?       ?  ?           2     4  0.89     5  0.60  molprobity     ?  False  
 48   48  t        -146.9   139.2  Favored     7     7  0.81    10  0.64  molprobity     ?  False  
 49   49  mt-30    -142.1    12.7  Favored     8     9  0.93    12  0.29  molprobity     ?  False  
 50   50  ?         -58.9   129.4  Favored     3     4  0.62     5  0.53  molprobity     ?  False  
 51   51  mt-10     -69.7    93.5  Allowed     6     9  0.82    12  0.88  molprobity     1  True   
 52   52  mtm180   -107.8   153.2  Favored    13    11  0.71    14  0.65  molprobity     1  True   
 53   53  t         -61.8   102.4  Allowed     4     6  0.48     8  0.58  molprobity     1  True   
 54   54  ?         -63.4   -19.7  Favored     5     5  0.78     7  0.54  molprobity     1  True   
 55   55  t         -66.8   -40.8  Favored     9     7  1.04    10  0.45  molprobity     1  True   
 56   56  m-70     -104.1   -38.2  Favored     7    11  0.75    15  0.64  molprobity     1  True   
 57   57  ?          95.3    37.1  Favored     3     4  0.52     5  0.38  molprobity     1  True   
 58   58  pp20?    -132.4   153.8  Favored     6     9  1.10    12  0.75  molprobity     1  True   
 59   59  ttp180    -66.1   133.3  Favored    13    11  0.91    14  0.82  molprobity     1  True   
 60   60  pp        -99.0   146.4  Favored    11     8  1.07    11  0.77  molprobity     1  True   
 61   61  m80      -146.0    93.3  Favored     7    11  0.49    15  0.60  molprobity     1  True   
 62   62  tm?      -171.4   138.8  Allowed    11     8  1.05    11  0.88  molprobity     1  True   
 63   63  t80      -125.8   115.9  Favored     9    12  0.72    16  0.34  molprobity     1  True   
 64   64  t         -84.5   127.0  Favored     5     6  0.28     8  0.47  molprobity     1  True   
 65   65  mt-10     -71.9   -45.5  Favored     6     9  0.98    12  0.65  molprobity     1  True   
 66   66  pttm      -69.6   -32.1  Favored    13     9  0.90    11  0.58  molprobity     1  True   
 67   67  t70       -94.1   -27.4  Favored     4     8  0.80    11  0.85  molprobity     1  True   
 68   68  ?          64.3    34.4  Favored     3     4  0.57     5  0.59  molprobity     1  True   
 69   69  mtpt     -140.1   162.2  Favored    13     9  0.81    11  0.50  molprobity     1  True   
 70   70  ?         -96.0   102.4  Favored     5     5  0.72     7  0.70  molprobity     1  True   
 71   71  mt        -91.5  -176.7  Favored    11     8  0.99    11  0.31  molprobity     1  True   
 72   72  p        -116.3   172.9  Favored     4     6  0.76     8  0.47  molprobity     1  True   
 73   73  t90       -59.4   -47.0  Favored    10    16  0.68    23  0.31  molprobity     1  True   
 74   74  t         -57.9   -39.9  Favored     9     7  1.18    10  0.37  molprobity     1  True   
 75   75  m         -79.3   -26.8  Favored     4     6  0.73     8  0.28  molprobity     1  True   
 76   76  ?         -68.0   -37.1  Favored     5     5  0.79     7  0.32  molprobity     1  True   
 77   77  pt20     -106.4     9.2  Favored     8     9  0.82    12  0.36  molprobity     1  True   
 78   78  t         -60.0   143.5  Favored     5     6  0.92     8  0.34  molprobity     1  True   
 79   79  mmt180    -66.4    -7.1  Favored    13    11  0.78    14  0.68  molprobity     ?  False  
 80   80  tptt      -74.0   -35.5  Favored    13     9  0.79    11  0.41  molprobity     ?  False  
 81   81  m80      -141.7  -170.7  Favored     7    11  0.77    15  0.33  molprobity     ?  False  
 82   82  mtp180   -139.9  -179.9  Favored    13    11  0.88    14  0.77  molprobity     ?  False  
 83   83  p-10      -90.8   128.7  Favored     4     8  0.77    11  0.64  molprobity     ?  False  
 84   84  t-80     -152.7   -81.4  Allowed     7    11  0.63    15  0.36  molprobity     ?  False  
 85   85  ?         -86.5    74.7  Favored     5     5  0.60     7  0.99  molprobity     1  True   
 86   86  ptm      -169.8   129.7  Allowed     9     8  0.66    10  0.88  molprobity     1  True   
 87   87  m        -107.2   150.0  Favored     9     7  1.34    11  0.56  molprobity     1  True   
 88   88  Cg_endo   -76.2   140.5  Favored     7     8  0.95    11  0.16  molprobity     1  True   
 89   89  mt        -79.1    92.0  Favored    11     8  0.92    11  0.42  molprobity     1  True   
 90   90  tt0      -105.9    79.3  Allowed     6     9  0.72    12  0.78  molprobity     ?  False  
 91   91  mm-40         ?       ?  ?           6     7  1.13     8  0.70  molprobity     ?  False  
 92   92  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 93   93  ?             ?       ?  ?           2     4  0.33     5  1.00  molprobity     ?  False  
 94   94  p         -99.6  -154.4  Allowed     7     7  0.91    10  0.38  molprobity     ?  False  
 95   95  OUTLIER   -86.5    18.2  Favored     8     9  1.15    12  0.71  molprobity     ?  False  
 96   96  ?          63.9    43.8  Favored     3     4  0.60     5  1.13  molprobity     ?  False  
 97   97  mt-10     -66.9   109.5  Favored     6     9  0.80    12  0.77  molprobity     1  True   
 98   98  mtt85    -120.4   151.1  Favored    13    11  0.72    14  1.00  molprobity     1  True   
 99   99  t         -65.7   101.7  Allowed     4     6  0.63     8  0.57  molprobity     1  True   
100  100  ?         -59.1   -29.1  Favored     5     5  0.76     7  0.55  molprobity     1  True   
101  101  t         -57.1   -42.5  Favored     9     7  1.09    10  0.41  molprobity     1  True   
102  102  m-70     -104.7   -35.1  Favored     7    11  0.75    15  0.61  molprobity     1  True   
103  103  ?         101.1    -3.3  Favored     3     4  0.95     5  0.49  molprobity     1  True   
104  104  pt-20     -83.4   164.3  Favored     6     9  0.77    12  0.56  molprobity     1  True   
105  105  ttp180    -64.5   150.9  Favored    13    11  0.94    14  0.83  molprobity     1  True   
106  106  pp       -117.4   141.4  Favored    11     8  1.20    11  0.78  molprobity     1  True   
107  107  m80      -149.2    93.8  Favored     7    11  0.64    15  0.70  molprobity     1  True   
108  108  tm?      -170.4   143.7  Favored    11     8  1.11    11  0.84  molprobity     1  True   
109  109  t80      -131.2   104.4  Favored     9    12  0.67    16  0.35  molprobity     1  True   
110  110  t         -86.0   118.8  Favored     5     6  0.30     8  0.60  molprobity     1  True   
111  111  mt-10     -76.5   -39.7  Favored     6     9  0.77    12  0.54  molprobity     1  True   
112  112  OUTLIER   -67.2   -38.6  Favored    13     9  0.89    11  0.58  molprobity     1  True   
113  113  t0        -81.5   -29.1  Favored     4     8  0.82    11  0.66  molprobity     1  True   
114  114  ?          65.2    36.1  Favored     3     4  0.35     5  0.68  molprobity     1  True   
115  115  mtpp     -132.2   145.7  Favored    13     9  0.80    11  0.52  molprobity     1  True   
116  116  ?         -81.7    99.7  Favored     5     5  0.54     7  0.80  molprobity     1  True   
117  117  mt        -94.8  -176.8  Favored    11     8  0.87    11  0.36  molprobity     1  True   
118  118  p        -113.5   164.5  Favored     4     6  0.55     8  0.50  molprobity     1  True   
119  119  t90       -59.4   -36.2  Favored    10    16  0.59    23  0.30  molprobity     1  True   
120  120  t         -60.4   -46.0  Favored     9     7  1.12    10  0.35  molprobity     1  True   
121  121  m         -78.6   -18.1  Favored     4     6  0.79     8  0.34  molprobity     1  True   
122  122  ?         -75.3   -41.1  Favored     5     5  0.67     7  0.53  molprobity     1  True   
123  123  mm100     -78.8   -17.3  Favored     8     9  0.59    12  0.39  molprobity     1  True   
124  124  t         -68.2   113.7  Favored     5     6  0.77     8  0.49  molprobity     1  True   
125  125  ptp180    -75.2    76.0  Favored    13    11  0.88    14  1.10  molprobity     ?  False  
126  126  mmmt      -74.3   -56.9  Favored    13     9  0.74    11  0.46  molprobity     ?  False  
127  127  m80      -138.4   -80.2  Allowed     7    11  0.66    15  0.51  molprobity     ?  False  
128  128  ttt180    177.7   121.2  OUTLIER    13    11  0.65    14  0.52  molprobity     ?  False  
129  129  t70       -88.4   152.7  Favored     4     8  0.72    11  0.69  molprobity     ?  False  
130  130  m80      -133.9   -12.8  Favored     7    11  0.69    15  0.30  molprobity     ?  False  
131  131  ?        -168.6    99.2  Allowed     5     5  0.61     7  0.49  molprobity     1  True   
132  132  ptp      -132.7   124.4  Favored     9     8  0.69    10  0.93  molprobity     1  True   
133  133  m        -104.3   136.8  Favored     9     7  1.26    11  0.51  molprobity     1  True   
134  134  Cg_endo   -71.3   129.9  Favored     7     8  0.81    11  0.23  molprobity     1  True   
135  135  mt        -78.2   121.6  Favored    11     8  0.82    11  0.43  molprobity     1  True   
136  136  tp10     -136.9   136.8  Favored     6     9  1.00    12  0.58  molprobity     ?  False  
137  137  tt0           ?       ?  ?           6     7  1.24     8  0.69  molprobity     ?  False  
138  138  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
139  139  ?             ?       ?  ?           2     4  0.45     5  0.52  molprobity     ?  False  
140  140  p        -107.2   113.2  Favored     7     7  0.76    10  0.52  molprobity     ?  False  
141  141  pt20     -107.2     7.7  Favored     8     9  0.80    12  0.30  molprobity     ?  False  
142  142  ?          81.1   175.3  Favored     3     4  0.67     5  0.35  molprobity     ?  False  
143  143  mp0       -79.4    74.9  Favored     6     9  1.01    12  0.94  molprobity     1  True   
144  144  mtp180   -125.6   132.9  Favored    13    11  0.98    14  0.63  molprobity     1  True   
145  145  t         -65.9   100.5  Allowed     4     6  0.63     8  0.58  molprobity     1  True   
146  146  ?         -59.5   -24.6  Favored     5     5  0.86     7  0.67  molprobity     1  True   
147  147  t         -64.1   -40.0  Favored     9     7  1.11    10  0.41  molprobity     1  True   
148  148  m-70     -105.5   -31.9  Favored     7    11  0.74    15  0.71  molprobity     1  True   
149  149  ?         101.2   -10.7  Favored     3     4  0.84     5  0.36  molprobity     1  True   
150  150  pt-20     -73.6   179.3  Favored     6     9  0.99    12  0.56  molprobity     1  True   
151  151  mtp-105   -69.5  -179.0  Allowed    13    11  0.97    14  0.64  molprobity     1  True   
152  152  pp       -150.9   145.3  Favored    11     8  1.22    11  0.97  molprobity     1  True   
153  153  m170     -152.8    93.0  Allowed     7    11  0.67    15  0.74  molprobity     1  True   
154  154  tm?      -170.4   146.8  Favored    11     8  1.11    11  0.94  molprobity     1  True   
155  155  t80      -140.4   108.5  Favored     9    12  0.72    16  0.36  molprobity     1  True   
156  156  t         -79.8   143.0  Favored     5     6  0.33     8  0.39  molprobity     1  True   
157  157  mm-40     -77.0   -40.0  Favored     6     9  0.96    12  0.58  molprobity     1  True   
158  158  ptpp?     -79.5   -46.4  Favored    13     9  0.88    11  0.50  molprobity     1  True   
159  159  t70       -66.2   -31.7  Favored     4     8  0.88    11  0.62  molprobity     1  True   
160  160  ?          65.3    16.2  Favored     3     4  0.29     5  0.45  molprobity     1  True   
161  161  mtpt     -128.2   168.5  Favored    13     9  0.81    11  0.63  molprobity     1  True   
162  162  ?         -83.6   104.4  Favored     5     5  0.65     7  0.82  molprobity     1  True   
163  163  mt        -91.2  -179.0  Favored    11     8  0.92    11  0.39  molprobity     1  True   
164  164  p        -117.9   162.8  Favored     4     6  0.61     8  0.54  molprobity     1  True   
165  165  t90       -59.9   -33.9  Favored    10    16  0.66    23  0.36  molprobity     1  True   
166  166  t         -58.9   -44.0  Favored     9     7  1.27    10  0.48  molprobity     1  True   
167  167  m         -74.5   -29.1  Favored     4     6  0.70     8  0.26  molprobity     1  True   
168  168  ?         -67.5   -35.2  Favored     5     5  0.75     7  0.45  molprobity     1  True   
169  169  mt-30     -78.0   -27.0  Favored     8     9  0.68    12  0.41  molprobity     1  True   
170  170  t         -61.5   117.5  Favored     5     6  0.68     8  0.47  molprobity     1  True   
171  171  mtt180    -65.4   -16.8  Favored    13    11  0.82    14  0.61  molprobity     ?  False  
172  172  tttt      -49.0   -49.1  Favored    13     9  0.67    11  0.54  molprobity     ?  False  
173  173  p-80     -134.8    50.5  Favored     7    11  0.69    15  0.71  molprobity     ?  False  
174  174  ttt180    -60.7   122.5  Favored    13    11  0.74    14  0.72  molprobity     ?  False  
175  175  t0       -146.5   149.2  Favored     4     8  0.74    11  0.91  molprobity     ?  False  
176  176  p80      -103.8   -25.3  Favored     7    11  0.58    15  0.35  molprobity     ?  False  
177  177  ?         -80.4    72.1  Favored     5     5  0.64     7  0.93  molprobity     1  True   
178  178  ptp      -148.2   156.5  Favored     9     8  0.59    10  0.78  molprobity     1  True   
179  179  m        -125.9   147.1  Favored     9     7  1.45    11  0.54  molprobity     1  True   
180  180  Cg_endo   -76.7   128.7  Favored     7     8  0.99    11  0.18  molprobity     1  True   
181  181  mt        -76.9    95.0  Favored    11     8  0.91    11  0.39  molprobity     1  True   
182  182  tt0      -164.9   105.9  Allowed     6     9  0.91    12  0.64  molprobity     ?  False  
183  183  tm-20         ?       ?  ?           6     7  1.38     8  0.98  molprobity     ?  False  
184  184  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
185  185  ?             ?       ?  ?           2     4  0.27     5  0.81  molprobity     ?  False  
186  186  t        -157.0   136.4  Favored     7     7  0.96    10  0.53  molprobity     ?  False  
187  187  mt-30     -79.1   -75.0  Allowed     8     9  0.66    12  0.33  molprobity     ?  False  
188  188  ?         125.5   150.1  Favored     3     4  0.46     5  0.61  molprobity     ?  False  
189  189  mt-10     -89.5    90.9  Favored     6     9  0.91    12  0.55  molprobity     1  True   
190  190  OUTLIER  -122.8   138.3  Favored    13    11  0.83    14  0.79  molprobity     1  True   
191  191  t         -67.5   101.3  Allowed     4     6  0.77     8  0.73  molprobity     1  True   
192  192  ?         -65.1   -14.6  Favored     5     5  0.70     7  0.53  molprobity     1  True   
193  193  t         -68.3   -46.0  Favored     9     7  1.02    10  0.38  molprobity     1  True   
194  194  m-70      -99.4   -39.5  Favored     7    11  0.73    15  0.68  molprobity     1  True   
195  195  ?         101.6     2.5  Favored     3     4  0.94     5  0.28  molprobity     1  True   
196  196  pt-20     -82.0   152.5  Favored     6     9  0.94    12  0.55  molprobity     1  True   
197  197  ttp180    -70.1   119.7  Favored    13    11  0.70    14  1.01  molprobity     1  True   
198  198  pp        -76.5   136.5  Favored    11     8  1.12    11  0.86  molprobity     1  True   
199  199  m80      -154.0    93.8  Allowed     7    11  0.57    15  0.62  molprobity     1  True   
200  200  tm?      -171.4   150.0  Favored    11     8  1.12    11  0.88  molprobity     1  True   
201  201  t80      -138.7   110.9  Favored     9    12  0.70    16  0.41  molprobity     1  True   
202  202  t         -84.2   139.6  Favored     5     6  0.41     8  0.37  molprobity     1  True   
203  203  mm-40     -73.3   -53.6  Favored     6     9  0.84    12  0.43  molprobity     1  True   
204  204  OUTLIER   -64.0   -34.9  Favored    13     9  0.92    11  0.61  molprobity     1  True   
205  205  t0        -82.8   -33.0  Favored     4     8  0.73    11  0.60  molprobity     1  True   
206  206  ?          62.4    25.7  Favored     3     4  0.60     5  0.53  molprobity     1  True   
207  207  mtpp     -120.2   150.3  Favored    13     9  0.77    11  0.57  molprobity     1  True   
208  208  ?         -84.3   100.5  Favored     5     5  0.49     7  0.72  molprobity     1  True   
209  209  mt        -90.9  -178.2  Favored    11     8  0.96    11  0.40  molprobity     1  True   
210  210  p        -112.8   178.1  Favored     4     6  0.46     8  0.41  molprobity     1  True   
211  211  t90       -63.4   -51.1  Favored    10    16  0.49    23  0.28  molprobity     1  True   
212  212  t         -61.7   -45.9  Favored     9     7  1.20    10  0.44  molprobity     1  True   
213  213  m         -69.0   -25.3  Favored     4     6  0.81     8  0.43  molprobity     1  True   
214  214  ?         -84.0   -51.7  Favored     5     5  0.35     7  0.73  molprobity     1  True   
215  215  mm100     -81.3   -10.8  Favored     8     9  0.55    12  0.37  molprobity     1  True   
216  216  t         -74.8    94.9  Favored     5     6  0.60     8  0.81  molprobity     1  True   
217  217  ttm180    -65.8   103.9  Allowed    13    11  0.74    14  1.38  molprobity     ?  False  
218  218  mmmm     -122.9  -158.6  Allowed    13     9  0.98    11  0.68  molprobity     ?  False  
219  219  p-80      -73.6    55.6  Allowed     7    11  0.96    15  0.63  molprobity     ?  False  
220  220  mmt-85   -144.9   -36.7  Allowed    13    11  0.79    14  1.03  molprobity     ?  False  
221  221  t70       -74.2    82.3  Allowed     4     8  0.80    11  0.89  molprobity     ?  False  
222  222  m-70     -146.3   -65.9  Allowed     7    11  0.65    15  0.65  molprobity     ?  False  
223  223  ?        -132.1   117.6  Favored     5     5  0.50     7  0.83  molprobity     1  True   
224  224  ptm      -163.3   117.6  Allowed     9     8  0.78    10  0.61  molprobity     1  True   
225  225  m         -92.0   135.4  Favored     9     7  1.25    11  0.48  molprobity     1  True   
226  226  Cg_endo   -75.3   120.7  Favored     7     8  0.73    11  0.17  molprobity     1  True   
227  227  mt        -70.3   115.9  Favored    11     8  0.76    11  0.51  molprobity     1  True   
228  228  tm-20    -125.7    98.8  Favored     6     9  1.01    12  0.86  molprobity     ?  False  
229  229  mt-10         ?       ?  ?           6     7  0.88     8  0.64  molprobity     ?  False  
230  230  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
231  231  ?             ?       ?  ?           2     4  0.48     5  0.44  molprobity     ?  False  
232  232  p         -68.6   103.6  Allowed     7     7  0.88    10  0.50  molprobity     ?  False  
233  233  tt0       -70.2   104.2  Favored     8     9  0.87    12  0.44  molprobity     ?  False  
234  234  ?         107.0   173.7  Favored     3     4  0.73     5  0.41  molprobity     ?  False  
235  235  mp0       -70.7    91.0  Allowed     6     9  1.03    12  0.77  molprobity     1  True   
236  236  mtt180   -127.7   136.4  Favored    13    11  0.73    14  0.92  molprobity     1  True   
237  237  t         -72.7   100.4  Favored     4     6  0.77     8  0.70  molprobity     1  True   
238  238  ?         -63.8   -30.1  Favored     5     5  0.76     7  0.80  molprobity     1  True   
239  239  t         -52.5   -40.5  Favored     9     7  1.15    10  0.43  molprobity     1  True   
240  240  m-70     -104.0   -37.8  Favored     7    11  0.70    15  0.67  molprobity     1  True   
241  241  ?          94.5    24.3  Favored     3     4  0.54     5  0.42  molprobity     1  True   
242  242  pt-20    -103.3   178.7  Favored     6     9  1.03    12  0.61  molprobity     1  True   
243  243  tpt180    -74.9   166.3  Favored    13    11  0.90    14  0.61  molprobity     1  True   
244  244  pp       -133.6   134.7  Favored    11     8  1.21    11  0.99  molprobity     1  True   
245  245  m-70     -142.2    95.5  Favored     7    11  0.52    15  0.78  molprobity     1  True   
246  246  tm?      -171.9   154.8  Favored    11     8  1.16    11  0.99  molprobity     1  True   
247  247  t80      -135.4   116.1  Favored     9    12  0.82    16  0.34  molprobity     1  True   
248  248  t         -85.7   124.2  Favored     5     6  0.21     8  0.53  molprobity     1  True   
249  249  mt-10     -73.7   -44.9  Favored     6     9  0.70    12  0.54  molprobity     1  True   
250  250  OUTLIER   -75.3   -40.6  Favored    13     9  0.87    11  0.61  molprobity     1  True   
251  251  t70       -78.2   -31.9  Favored     4     8  0.75    11  0.58  molprobity     1  True   
252  252  ?          86.2   -19.6  Favored     3     4  0.61     5  0.42  molprobity     1  True   
253  253  mmtm      -88.2   144.1  Favored    13     9  0.84    11  0.65  molprobity     1  True   
254  254  ?         -73.4   114.8  Favored     5     5  0.54     7  0.60  molprobity     1  True   
255  255  mt        -98.9   179.2  Favored    11     8  0.92    11  0.22  molprobity     1  True   
256  256  p         -99.6   164.1  Favored     4     6  0.70     8  0.39  molprobity     1  True   
257  257  t90       -62.6   -36.0  Favored    10    16  0.58    23  0.27  molprobity     1  True   
258  258  t         -59.8   -40.6  Favored     9     7  1.18    10  0.37  molprobity     1  True   
259  259  m         -74.7   -20.8  Favored     4     6  0.85     8  0.30  molprobity     1  True   
260  260  ?         -74.8   -44.0  Favored     5     5  0.75     7  0.54  molprobity     1  True   
261  261  OUTLIER   -96.2     5.7  Favored     8     9  0.97    12  0.77  molprobity     1  True   
262  262  t         -58.2   135.9  Favored     5     6  0.89     8  0.46  molprobity     1  True   
263  263  mmt180    -71.9    87.8  Allowed    13    11  0.92    14  1.14  molprobity     ?  False  
264  264  tptt     -152.1   -55.4  Allowed    13     9  0.75    11  0.91  molprobity     ?  False  
265  265  p-80     -164.6   164.4  Favored     7    11  0.74    15  0.46  molprobity     ?  False  
266  266  tpt180    -73.2   153.1  Favored    13    11  0.89    14  0.76  molprobity     ?  False  
267  267  p-10      -62.8   126.0  Favored     4     8  0.77    11  0.72  molprobity     ?  False  
268  268  m80       -99.1   -60.3  Allowed     7    11  0.40    15  0.48  molprobity     ?  False  
269  269  ?        -145.1   101.0  Favored     5     5  0.70     7  0.59  molprobity     1  True   
270  270  ptp      -155.3   135.4  Favored     9     8  0.63    10  0.81  molprobity     1  True   
271  271  m        -114.4   150.0  Favored     9     7  1.41    11  0.61  molprobity     1  True   
272  272  Cg_endo   -67.9   152.2  Favored     7     8  0.90    11  0.18  molprobity     1  True   
273  273  mt        -72.1    87.3  Allowed    11     8  0.97    11  0.52  molprobity     1  True   
274  274  tt0      -135.9    90.2  Favored     6     9  0.78    12  0.72  molprobity     ?  False  
275  275  tt0           ?       ?  ?           6     7  0.90     8  0.77  molprobity     ?  False  
276  276  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
277  277  ?             ?       ?  ?           2     4  0.69     5  0.54  molprobity     ?  False  
278  278  p         -67.6   -18.9  Favored     7     7  0.84    10  0.39  molprobity     ?  False  
279  279  mt-30     -85.4   -21.3  Favored     8     9  0.88    12  0.36  molprobity     ?  False  
280  280  ?          88.0  -113.5  Favored     3     4  0.93     5  0.44  molprobity     ?  False  
281  281  mt-10     -66.8   113.9  Favored     6     9  0.97    12  0.67  molprobity     1  True   
282  282  mtm180   -132.7   136.4  Favored    13    11  0.85    14  0.68  molprobity     1  True   
283  283  t         -74.5   106.4  Favored     4     6  0.81     8  0.48  molprobity     1  True   
284  284  ?         -68.7   -17.7  Favored     5     5  0.91     7  0.45  molprobity     1  True   
285  285  t         -67.9   -35.1  Favored     9     7  1.16    10  0.45  molprobity     1  True   
286  286  m-70     -107.3   -37.6  Favored     7    11  0.72    15  0.61  molprobity     1  True   
287  287  ?          91.2    29.6  Favored     3     4  0.69     5  0.66  molprobity     1  True   
288  288  pt-20    -104.7   168.4  Favored     6     9  0.89    12  0.50  molprobity     1  True   
289  289  ttp180    -73.0   124.3  Favored    13    11  0.98    14  0.95  molprobity     1  True   
290  290  pp        -75.9   138.5  Favored    11     8  1.20    11  0.82  molprobity     1  True   
291  291  OUTLIER  -149.8    94.3  Favored     7    11  0.76    15  0.69  molprobity     1  True   
292  292  tm?      -172.2   143.4  Allowed    11     8  1.07    11  1.06  molprobity     1  True   
293  293  t80      -127.6   113.6  Favored     9    12  0.56    16  0.39  molprobity     1  True   
294  294  t         -83.3   129.8  Favored     5     6  0.16     8  0.40  molprobity     1  True   
295  295  mm-40     -75.0   -41.4  Favored     6     9  0.84    12  0.48  molprobity     1  True   
296  296  OUTLIER   -73.9   -39.6  Favored    13     9  0.86    11  0.63  molprobity     1  True   
297  297  t70       -80.6   -30.3  Favored     4     8  0.71    11  0.66  molprobity     1  True   
298  298  ?          71.0     8.6  Favored     3     4  0.65     5  0.44  molprobity     1  True   
299  299  mtpp     -116.9  -179.7  Favored    13     9  0.88    11  0.49  molprobity     1  True   
300  300  ?        -103.0   109.9  Favored     5     5  0.78     7  0.58  molprobity     1  True   
301  301  mt        -93.3  -175.6  Favored    11     8  0.94    11  0.26  molprobity     1  True   
302  302  OUTLIER  -111.8   149.5  Favored     4     6  0.63     8  0.58  molprobity     1  True   
303  303  t90       -60.3   -28.4  Favored    10    16  0.54    23  0.30  molprobity     1  True   
304  304  t         -62.0   -42.1  Favored     9     7  0.92    10  0.45  molprobity     1  True   
305  305  m         -75.8   -17.6  Favored     4     6  0.96     8  0.30  molprobity     1  True   
306  306  ?         -77.7   -36.9  Favored     5     5  0.77     7  0.43  molprobity     1  True   
307  307  mm100     -84.6    -3.9  Favored     8     9  0.81    12  0.47  molprobity     1  True   
308  308  t         -73.2   152.8  Favored     5     6  0.75     8  0.31  molprobity     1  True   
309  309  ttt180    -76.0   -26.2  Favored    13    11  0.94    14  0.75  molprobity     ?  False  
310  310  mttm      -61.3   101.0  Allowed    13     9  0.66    11  0.61  molprobity     ?  False  
311  311  m80        62.0    29.4  Favored     7    11  0.75    15  0.35  molprobity     ?  False  
312  312  ptt180    -61.8   125.5  Favored    13    11  0.80    14  0.63  molprobity     ?  False  
313  313  m-20      -92.7  -174.3  Favored     4     8  0.82    11  0.66  molprobity     ?  False  
314  314  t-80     -110.9   -60.1  Allowed     7    11  0.56    15  0.47  molprobity     ?  False  
315  315  ?         -80.8    89.7  Favored     5     5  0.56     7  0.85  molprobity     1  True   
316  316  ptm      -155.3   112.3  Favored     9     8  0.86    10  1.04  molprobity     1  True   
317  317  m         -96.8   138.6  Favored     9     7  1.48    11  0.52  molprobity     1  True   
318  318  Cg_endo   -70.3   123.5  Favored     7     8  0.96    11  0.40  molprobity     1  True   
319  319  mt        -72.3   122.8  Favored    11     8  0.83    11  0.44  molprobity     1  True   
320  320  mt-10    -135.3    68.6  Allowed     6     9  0.93    12  0.64  molprobity     ?  False  
321  321  mt-10         ?       ?  ?           6     7  1.13     8  0.69  molprobity     ?  False  
322  322  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
323  323  ?             ?       ?  ?           2     4  0.57     5  0.49  molprobity     ?  False  
324  324  p         -67.5   -48.1  Favored     7     7  0.73    10  0.29  molprobity     ?  False  
325  325  tp60      -95.0   112.1  Favored     8     9  0.86    12  0.47  molprobity     ?  False  
326  326  ?         153.5   105.9  Allowed     3     4  0.41     5  0.58  molprobity     ?  False  
327  327  mt-10     -76.2    68.2  Favored     6     9  0.87    12  0.76  molprobity     1  True   
328  328  mtt180   -134.6   136.9  Favored    13    11  0.87    14  0.81  molprobity     1  True   
329  329  t         -70.2   100.0  Allowed     4     6  0.66     8  0.60  molprobity     1  True   
330  330  ?         -67.8   -20.8  Favored     5     5  0.75     7  0.62  molprobity     1  True   
331  331  t         -63.3   -47.5  Favored     9     7  0.88    10  0.40  molprobity     1  True   
332  332  OUTLIER   -93.8   -28.2  Favored     7    11  0.70    15  0.58  molprobity     1  True   
333  333  ?          85.5    27.8  Favored     3     4  0.58     5  0.81  molprobity     1  True   
334  334  pt-20    -110.3   169.9  Favored     6     9  0.86    12  0.47  molprobity     1  True   
335  335  mtm105    -67.9   168.8  Favored    13    11  0.89    14  0.71  molprobity     1  True   
336  336  pp       -124.7   136.7  Favored    11     8  1.07    11  0.76  molprobity     1  True   
337  337  m-70     -143.9    94.0  Favored     7    11  0.66    15  0.71  molprobity     1  True   
338  338  tm?      -171.6   151.6  Favored    11     8  0.99    11  0.93  molprobity     1  True   
339  339  t80      -141.5   125.0  Favored     9    12  0.67    16  0.43  molprobity     1  True   
340  340  m         -82.3   123.2  Favored     5     6  0.27     8  0.46  molprobity     1  True   
341  341  mm-40     -74.9   -30.1  Favored     6     9  0.83    12  0.58  molprobity     1  True   
342  342  ptmt      -89.8   -38.9  Favored    13     9  0.74    11  0.56  molprobity     1  True   
343  343  t70       -89.7   -31.3  Favored     4     8  0.78    11  0.62  molprobity     1  True   
344  344  ?          72.8    41.4  Favored     3     4  0.43     5  0.38  molprobity     1  True   
345  345  mmmt     -133.1   144.4  Favored    13     9  0.89    11  0.58  molprobity     1  True   
346  346  ?         -84.3   100.8  Favored     5     5  0.54     7  0.62  molprobity     1  True   
347  347  mt        -92.0  -177.4  Favored    11     8  0.92    11  0.31  molprobity     1  True   
348  348  p        -103.3   165.8  Favored     4     6  0.58     8  0.41  molprobity     1  True   
349  349  t90       -64.7   -29.9  Favored    10    16  0.46    23  0.28  molprobity     1  True   
350  350  t         -66.3   -39.7  Favored     9     7  1.09    10  0.33  molprobity     1  True   
351  351  m         -76.0   -17.1  Favored     4     6  0.74     8  0.35  molprobity     1  True   
352  352  ?         -75.5   -49.1  Favored     5     5  0.36     7  0.56  molprobity     1  True   
353  353  mm-40     -85.5   -28.2  Favored     8     9  0.72    12  0.60  molprobity     1  True   
354  354  t         -77.7    92.9  Favored     5     6  0.80     8  0.81  molprobity     1  True   
355  355  mtt180    -95.3    77.5  Favored    13    11  0.82    14  0.81  molprobity     ?  False  
356  356  tptt      -71.2   -61.0  Allowed    13     9  0.75    11  0.60  molprobity     ?  False  
357  357  p-80     -165.8   110.5  Allowed     7    11  0.77    15  0.72  molprobity     ?  False  
358  358  tpm_?    -157.3   -55.7  Allowed    13    11  0.86    14  0.99  molprobity     ?  False  
359  359  m-20       73.8   107.6  Allowed     4     8  0.97    11  0.80  molprobity     ?  False  
360  360  t60        84.5   -70.6  OUTLIER     7    11  0.87    15  0.46  molprobity     ?  False  
361  361  ?         -76.2    76.2  Favored     5     5  0.75     7  0.89  molprobity     1  True   
362  362  mmm      -127.1   112.4  Favored     9     8  0.82    10  0.67  molprobity     1  True   
363  363  m        -116.4   151.4  Favored     9     7  1.36    11  0.50  molprobity     1  True   
364  364  Cg_endo   -79.0   137.8  Favored     7     8  1.02    11  0.28  molprobity     1  True   
365  365  mt        -71.7    97.0  Allowed    11     8  0.80    11  0.56  molprobity     1  True   
366  366  tt0      -137.0    46.2  Favored     6     9  0.91    12  0.95  molprobity     ?  False  
367  367  mp0           ?       ?  ?           6     7  1.23     8  0.72  molprobity     ?  False  
368  368  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
369  369  ?             ?       ?  ?           2     4  0.90     5  0.34  molprobity     ?  False  
370  370  m         -71.9   102.2  Favored     7     7  0.85    10  0.53  molprobity     ?  False  
371  371  pt20      -59.9   123.7  Favored     8     9  0.90    12  0.53  molprobity     ?  False  
372  372  ?         -73.0   -96.8  OUTLIER     3     4  0.66     5  0.78  molprobity     ?  False  
373  373  mt-10      58.5    21.1  Favored     6     9  0.97    12  0.69  molprobity     1  True   
374  374  mtt180   -126.4   128.5  Favored    13    11  0.88    14  1.05  molprobity     1  True   
375  375  t         -68.6   100.6  Allowed     4     6  0.63     8  0.70  molprobity     1  True   
376  376  ?         -62.1   -19.8  Favored     5     5  0.87     7  0.71  molprobity     1  True   
377  377  t         -62.8   -38.7  Favored     9     7  1.07    10  0.40  molprobity     1  True   
378  378  m-70     -108.1   -39.3  Favored     7    11  0.73    15  0.51  molprobity     1  True   
379  379  ?          91.4    52.3  Favored     3     4  0.45     5  0.77  molprobity     1  True   
380  380  OUTLIER  -146.7   161.2  Favored     6     9  1.27    12  0.77  molprobity     1  True   
381  381  ttt85     -73.6   139.7  Favored    13    11  0.66    14  0.97  molprobity     1  True   
382  382  pp       -105.4   137.2  Favored    11     8  1.19    11  0.82  molprobity     1  True   
383  383  m-70     -141.0    93.3  Favored     7    11  0.61    15  0.72  molprobity     1  True   
384  384  tm?      -172.1   155.7  Favored    11     8  1.13    11  0.97  molprobity     1  True   
385  385  t80      -153.5   121.5  Favored     9    12  0.73    16  0.47  molprobity     1  True   
386  386  t         -96.0   130.7  Favored     5     6  0.23     8  0.54  molprobity     1  True   
387  387  mm-40     -67.0   -47.9  Favored     6     9  0.89    12  0.56  molprobity     1  True   
388  388  ptmt      -76.0   -35.6  Favored    13     9  0.89    11  0.50  molprobity     1  True   
389  389  t70       -70.7   -33.1  Favored     4     8  0.83    11  0.84  molprobity     1  True   
390  390  ?          63.4    30.9  Favored     3     4  0.08     5  0.47  molprobity     1  True   
391  391  mmmm     -130.2   149.6  Favored    13     9  0.79    11  0.65  molprobity     1  True   
392  392  ?         -82.0   100.3  Favored     5     5  0.51     7  0.75  molprobity     1  True   
393  393  mt        -88.5   176.1  Favored    11     8  0.91    11  0.41  molprobity     1  True   
394  394  p        -115.3   173.1  Favored     4     6  0.50     8  0.46  molprobity     1  True   
395  395  t90       -59.2   -40.4  Favored    10    16  0.52    23  0.29  molprobity     1  True   
396  396  t         -61.6   -43.5  Favored     9     7  1.11    10  0.32  molprobity     1  True   
397  397  m         -78.7   -18.2  Favored     4     6  0.81     8  0.30  molprobity     1  True   
398  398  ?         -76.9   -43.9  Favored     5     5  0.72     7  0.41  molprobity     1  True   
399  399  pp0?      -77.5   -16.9  Favored     8     9  0.96    12  0.70  molprobity     1  True   
400  400  t         -68.2    95.8  Allowed     5     6  0.88     8  0.80  molprobity     1  True   
401  401  mtp180    -72.3    88.8  Allowed    13    11  0.90    14  0.83  molprobity     ?  False  
402  402  mmtt     -122.0   -82.3  Allowed    13     9  0.79    11  0.60  molprobity     ?  False  
403  403  p-80     -166.7   161.5  Favored     7    11  0.67    15  0.50  molprobity     ?  False  
404  404  mtp180     65.6    25.4  Favored    13    11  1.11    14  0.96  molprobity     ?  False  
405  405  m-20      -89.5    87.5  Favored     4     8  0.91    11  0.58  molprobity     ?  False  
406  406  t-80     -163.4   142.7  Favored     7    11  0.82    15  0.55  molprobity     ?  False  
407  407  ?          54.4    58.1  Favored     5     5  0.71     7  0.89  molprobity     1  True   
408  408  mtp      -101.7   106.5  Favored     9     8  0.60    10  0.80  molprobity     1  True   
409  409  m        -104.8   149.4  Favored     9     7  1.45    11  0.56  molprobity     1  True   
410  410  Cg_endo   -73.0   151.4  Favored     7     8  0.89    11  0.22  molprobity     1  True   
411  411  mt        -78.4    84.8  Favored    11     8  0.85    11  0.74  molprobity     1  True   
412  412  mt-10    -137.6    93.0  Favored     6     9  0.92    12  0.66  molprobity     ?  False  
413  413  mt-10         ?       ?  ?           6     7  1.01     8  0.65  molprobity     ?  False  
414  414  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
415  415  ?             ?       ?  ?           2     4  0.37     5  0.46  molprobity     ?  False  
416  416  p         -78.5    80.7  Favored     7     7  0.88    10  0.57  molprobity     ?  False  
417  417  mt-30     -84.3   155.8  Favored     8     9  0.69    12  0.28  molprobity     ?  False  
418  418  ?         168.1  -177.7  Favored     3     4  0.31     5  0.67  molprobity     ?  False  
419  419  OUTLIER   -96.3    32.7  Allowed     6     9  1.28    12  0.72  molprobity     1  True   
420  420  mtt180   -123.5   138.5  Favored    13    11  0.64    14  0.75  molprobity     1  True   
421  421  t         -69.5   102.6  Allowed     4     6  0.67     8  0.50  molprobity     1  True   
422  422  ?         -69.8    -8.3  Favored     5     5  0.86     7  0.51  molprobity     1  True   
423  423  t         -75.1   -38.9  Favored     9     7  1.02    10  0.33  molprobity     1  True   
424  424  m-70     -106.7   -37.2  Favored     7    11  0.72    15  0.62  molprobity     1  True   
425  425  ?          95.9    32.8  Favored     3     4  0.64     5  0.72  molprobity     1  True   
426  426  pt-20    -118.7   167.0  Favored     6     9  0.81    12  0.54  molprobity     1  True   
427  427  ttp180    -71.7   144.3  Favored    13    11  0.89    14  0.87  molprobity     1  True   
428  428  pp       -106.3   136.8  Favored    11     8  1.19    11  0.87  molprobity     1  True   
429  429  m170     -144.5    95.4  Favored     7    11  0.74    15  0.71  molprobity     1  True   
430  430  tm?      -170.3   146.7  Favored    11     8  1.14    11  0.92  molprobity     1  True   
431  431  t80      -140.2   113.0  Favored     9    12  0.73    16  0.44  molprobity     1  True   
432  432  m         -66.8   115.5  Favored     5     6  0.35     8  0.55  molprobity     1  True   
433  433  mm-40     -69.2   -29.8  Favored     6     9  0.90    12  0.53  molprobity     1  True   
434  434  ptmt      -84.1   -48.3  Favored    13     9  0.81    11  0.47  molprobity     1  True   
435  435  t70       -89.9   -16.9  Favored     4     8  0.92    11  0.76  molprobity     1  True   
436  436  ?          66.6    35.1  Favored     3     4  0.54     5  0.48  molprobity     1  True   
437  437  mmmm     -129.4   149.4  Favored    13     9  0.82    11  0.49  molprobity     1  True   
438  438  ?         -95.3   103.0  Favored     5     5  0.72     7  0.56  molprobity     1  True   
439  439  mt        -94.4  -179.3  Favored    11     8  0.97    11  0.40  molprobity     1  True   
440  440  p        -111.4   173.8  Favored     4     6  0.56     8  0.40  molprobity     1  True   
441  441  t90       -59.1   -42.1  Favored    10    16  0.56    23  0.36  molprobity     1  True   
442  442  t         -63.8   -41.5  Favored     9     7  1.12    10  0.51  molprobity     1  True   
443  443  m         -78.5   -14.1  Favored     4     6  0.78     8  0.34  molprobity     1  True   
444  444  ?         -80.7   -49.3  Favored     5     5  0.62     7  0.59  molprobity     1  True   
445  445  pt20      -75.5   -16.9  Favored     8     9  0.70    12  0.39  molprobity     1  True   
446  446  p         -71.5  -170.8  Allowed     5     6  0.93     8  0.53  molprobity     1  True   
447  447  tpp85     -68.9    79.2  Allowed    13    11  0.93    14  1.02  molprobity     ?  False  
448  448  OUTLIER  -140.1  -178.6  Favored    13     9  1.04    11  0.75  molprobity     ?  False  
449  449  p-80      -66.0    79.0  Allowed     7    11  0.80    15  0.50  molprobity     ?  False  
450  450  mmm180    -64.6   103.2  Allowed    13    11  0.96    14  0.93  molprobity     ?  False  
451  451  m-20       67.0    24.8  Favored     4     8  0.88    11  0.70  molprobity     ?  False  
452  452  m80      -107.2    96.5  Favored     7    11  0.56    15  0.46  molprobity     ?  False  
453  453  ?          57.4    68.8  Allowed     5     5  0.85     7  0.92  molprobity     1  True   
454  454  ptm      -157.6   116.0  Favored     9     8  0.71    10  0.77  molprobity     1  True   
455  455  m        -103.7   150.0  Favored     9     7  1.32    11  0.49  molprobity     1  True   
456  456  Cg_endo   -80.5   139.6  Favored     7     8  0.95    11  0.20  molprobity     1  True   
457  457  mt        -76.1   105.4  Favored    11     8  0.85    11  0.53  molprobity     1  True   
458  458  pt-20    -131.8    74.6  Allowed     6     9  0.91    12  0.88  molprobity     ?  False  
459  459  mp0           ?       ?  ?           6     7  1.36     8  0.72  molprobity     ?  False  
460  460  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
461  461  ?             ?       ?  ?           2     4  0.34     5  0.60  molprobity     ?  False  
462  462  p         -89.8     8.9  Favored     7     7  0.87    10  0.43  molprobity     ?  False  
463  463  mt-30     -64.4    96.2  Allowed     8     9  0.81    12  0.37  molprobity     ?  False  
464  464  ?         -69.9    99.3  Allowed     3     4  0.47     5  0.56  molprobity     ?  False  
465  465  mm-40     -66.0    94.1  Allowed     6     9  0.90    12  0.68  molprobity     1  True   
466  466  mtm180   -132.3   134.9  Favored    13    11  0.79    14  1.08  molprobity     1  True   
467  467  t         -69.1   101.8  Allowed     4     6  0.49     8  0.54  molprobity     1  True   
468  468  ?         -72.5    -7.2  Favored     5     5  0.84     7  0.53  molprobity     1  True   
469  469  t         -67.2   -50.9  Favored     9     7  1.02    10  0.55  molprobity     1  True   
470  470  m-70      -95.1   -37.0  Favored     7    11  0.71    15  0.63  molprobity     1  True   
471  471  ?          93.5    42.6  Favored     3     4  0.46     5  0.68  molprobity     1  True   
472  472  pt-20    -126.5   156.6  Favored     6     9  0.87    12  0.53  molprobity     1  True   
473  473  ttt180    -67.5   128.6  Favored    13    11  0.76    14  0.99  molprobity     1  True   
474  474  pp        -97.5   143.6  Favored    11     8  1.22    11  0.86  molprobity     1  True   
475  475  m-70     -147.6    96.1  Favored     7    11  0.56    15  0.59  molprobity     1  True   
476  476  tm?      -170.3   151.8  Favored    11     8  1.11    11  0.90  molprobity     1  True   
477  477  t80      -137.2   115.8  Favored     9    12  0.65    16  0.36  molprobity     1  True   
478  478  t         -78.6   134.8  Favored     5     6  0.40     8  0.32  molprobity     1  True   
479  479  mm-40     -77.3   -40.1  Favored     6     9  0.86    12  0.45  molprobity     1  True   
480  480  ptmm?     -74.7   -42.0  Favored    13     9  0.97    11  0.57  molprobity     1  True   
481  481  m-20      -81.3   -25.2  Favored     4     8  0.97    11  0.58  molprobity     1  True   
482  482  ?          64.2    25.1  Favored     3     4  0.77     5  0.33  molprobity     1  True   
483  483  mtpt     -132.5   154.0  Favored    13     9  0.83    11  0.55  molprobity     1  True   
484  484  ?         -77.7   103.4  Favored     5     5  0.64     7  0.63  molprobity     1  True   
485  485  mt        -94.4  -177.8  Favored    11     8  0.88    11  0.37  molprobity     1  True   
486  486  p        -112.1   162.6  Favored     4     6  0.61     8  0.52  molprobity     1  True   
487  487  t90       -53.0   -40.4  Favored    10    16  0.71    23  0.32  molprobity     1  True   
488  488  t         -60.6   -44.4  Favored     9     7  1.13    10  0.33  molprobity     1  True   
489  489  m         -79.9   -19.4  Favored     4     6  0.70     8  0.29  molprobity     1  True   
490  490  ?         -71.2   -53.7  Favored     5     5  0.49     7  0.61  molprobity     1  True   
491  491  mm-40     -75.7   -14.6  Favored     8     9  0.90    12  0.63  molprobity     1  True   
492  492  t         -66.6   110.8  Favored     5     6  0.93     8  0.55  molprobity     1  True   
493  493  mmm180    -74.5    84.5  Allowed    13    11  0.79    14  0.85  molprobity     ?  False  
494  494  mtmp?     -84.5   -49.8  Favored    13     9  0.73    11  0.90  molprobity     ?  False  
495  495  m80      -132.9  -158.7  Allowed     7    11  0.62    15  0.41  molprobity     ?  False  
496  496  tpp180    -77.1    67.1  Favored    13    11  1.00    14  0.81  molprobity     ?  False  
497  497  m-20      -75.3   120.3  Favored     4     8  0.74    11  0.72  molprobity     ?  False  
498  498  t-80     -160.6   -51.4  OUTLIER     7    11  0.62    15  0.58  molprobity     ?  False  
499  499  ?         -70.4    93.4  Allowed     5     5  0.65     7  0.65  molprobity     1  True   
500  500  ptp      -159.2   151.1  Favored     9     8  0.54    10  0.66  molprobity     1  True   
501  501  m        -125.6   142.2  Favored     9     7  1.40    11  0.49  molprobity     1  True   
502  502  Cg_endo   -73.7   126.1  Favored     7     8  0.89    11  0.13  molprobity     1  True   
503  503  mt        -72.3    96.4  Allowed    11     8  0.82    11  0.48  molprobity     1  True   
504  504  tp10     -123.0   139.5  Favored     6     9  0.89    12  0.61  molprobity     ?  False  
505  505  mt-10         ?       ?  ?           6     7  0.90     8  0.77  molprobity     ?  False  
506  506  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
507  507  ?             ?       ?  ?           2     4  0.59     5  0.83  molprobity     ?  False  
508  508  m          49.8    71.6  Allowed     7     7  0.97    10  0.38  molprobity     ?  False  
509  509  pt20     -158.1  -177.4  Favored     8     9  0.81    12  0.38  molprobity     ?  False  
510  510  ?          81.9  -130.4  Favored     3     4  0.53     5  0.61  molprobity     ?  False  
511  511  pt-20    -142.9    42.8  Allowed     6     9  0.94    12  0.74  molprobity     1  True   
512  512  mtt180   -120.6   138.2  Favored    13    11  0.73    14  0.88  molprobity     1  True   
513  513  t         -69.0   102.2  Allowed     4     6  0.60     8  0.77  molprobity     1  True   
514  514  ?         -61.3   -20.5  Favored     5     5  0.95     7  0.52  molprobity     1  True   
515  515  t         -67.2   -47.1  Favored     9     7  1.00    10  0.34  molprobity     1  True   
516  516  OUTLIER   -93.6   -38.7  Favored     7    11  0.69    15  0.65  molprobity     1  True   
517  517  ?          90.7    36.9  Favored     3     4  0.57     5  0.53  molprobity     1  True   
518  518  OUTLIER  -127.9   166.2  Favored     6     9  1.10    12  0.77  molprobity     1  True   
519  519  tpt180    -71.2   124.9  Favored    13    11  0.94    14  0.83  molprobity     1  True   
520  520  pp        -89.2   131.6  Favored    11     8  1.23    11  0.94  molprobity     1  True   
521  521  m80      -150.0    96.8  Favored     7    11  0.56    15  0.70  molprobity     1  True   
522  522  tm?      -168.7   149.8  Favored    11     8  1.11    11  0.94  molprobity     1  True   
523  523  t80      -139.2   118.0  Favored     9    12  0.70    16  0.30  molprobity     1  True   
524  524  t         -84.4   123.7  Favored     5     6  0.21     8  0.61  molprobity     1  True   
525  525  mt-10     -62.3   -46.9  Favored     6     9  0.78    12  0.51  molprobity     1  True   
526  526  pttt      -87.8   -29.8  Favored    13     9  0.70    11  0.34  molprobity     1  True   
527  527  t70       -72.8   -32.9  Favored     4     8  0.86    11  0.60  molprobity     1  True   
528  528  ?          69.5    18.6  Favored     3     4  0.41     5  0.50  molprobity     1  True   
529  529  mtmm     -112.5   153.1  Favored    13     9  0.79    11  0.72  molprobity     1  True   
530  530  ?         -88.5   101.0  Favored     5     5  0.66     7  0.85  molprobity     1  True   
531  531  mt        -91.8  -177.0  Favored    11     8  0.91    11  0.36  molprobity     1  True   
532  532  p        -111.2   158.8  Favored     4     6  0.60     8  0.52  molprobity     1  True   
533  533  t90       -60.9   -33.6  Favored    10    16  0.56    23  0.28  molprobity     1  True   
534  534  t         -58.5   -43.0  Favored     9     7  1.20    10  0.32  molprobity     1  True   
535  535  m         -72.7   -29.9  Favored     4     6  0.79     8  0.36  molprobity     1  True   
536  536  ?         -68.6   -48.0  Favored     5     5  0.76     7  0.49  molprobity     1  True   
537  537  pp0?      -78.0    -9.3  Favored     8     9  0.95    12  0.67  molprobity     1  True   
538  538  t         -56.6   134.4  Favored     5     6  0.79     8  0.63  molprobity     1  True   
539  539  mtt180    -64.8   115.5  Favored    13    11  0.74    14  0.96  molprobity     ?  False  
540  540  mttp     -109.8   165.9  Favored    13     9  0.53    11  0.85  molprobity     ?  False  
541  541  p80       -63.4   -35.7  Favored     7    11  0.70    15  0.36  molprobity     ?  False  
542  542  tpt180   -156.0   143.1  Favored    13    11  0.85    14  0.66  molprobity     ?  False  
543  543  t70       -70.7   140.7  Favored     4     8  0.77    11  0.65  molprobity     ?  False  
544  544  m-70     -126.0   161.8  Favored     7    11  0.52    15  0.43  molprobity     ?  False  
545  545  ?         -71.0    98.1  Allowed     5     5  0.47     7  0.66  molprobity     1  True   
546  546  ptp      -141.7   132.4  Favored     9     8  0.66    10  0.96  molprobity     1  True   
547  547  m        -112.1   144.5  Favored     9     7  1.39    11  0.54  molprobity     1  True   
548  548  Cg_endo   -71.6   147.1  Favored     7     8  0.89    11  0.22  molprobity     1  True   
549  549  mt        -78.7    92.3  Favored    11     8  0.92    11  0.58  molprobity     1  True   
550  550  mt-10    -104.3    40.6  Allowed     6     9  0.94    12  0.73  molprobity     ?  False  
551  551  pp20?         ?       ?  ?           6     7  1.44     8  0.90  molprobity     ?  False  
552  552  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
553  553  ?             ?       ?  ?           2     4  0.66     5  0.60  molprobity     ?  False  
554  554  m         -65.6   104.7  Allowed     7     7  0.88    10  0.65  molprobity     ?  False  
555  555  tt0        58.8    76.8  Allowed     8     9  0.90    12  0.66  molprobity     ?  False  
556  556  ?         -77.8    66.2  Favored     3     4  0.50     5  0.81  molprobity     ?  False  
557  557  pt-20     -92.7    27.9  Favored     6     9  0.90    12  0.65  molprobity     1  True   
558  558  mtt180   -128.3   127.9  Favored    13    11  0.64    14  0.57  molprobity     1  True   
559  559  t         -68.9   103.3  Allowed     4     6  0.48     8  0.61  molprobity     1  True   
560  560  ?         -57.6   -23.5  Favored     5     5  0.87     7  0.55  molprobity     1  True   
561  561  t         -59.8   -45.0  Favored     9     7  1.01    10  0.62  molprobity     1  True   
562  562  OUTLIER  -104.8   -38.8  Favored     7    11  0.78    15  0.69  molprobity     1  True   
563  563  ?         100.1    -6.5  Favored     3     4  0.82     5  0.57  molprobity     1  True   
564  564  pt-20     -67.5   165.0  Favored     6     9  1.02    12  0.48  molprobity     1  True   
565  565  OUTLIER   -72.9   132.7  Favored    13    11  0.79    14  0.83  molprobity     1  True   
566  566  pp        -92.7   129.6  Favored    11     8  1.11    11  0.92  molprobity     1  True   
567  567  m-70     -148.0    95.0  Favored     7    11  0.47    15  0.61  molprobity     1  True   
568  568  tm?      -171.1   121.3  Allowed    11     8  0.93    11  0.80  molprobity     1  True   
569  569  t80       -96.6   111.4  Favored     9    12  0.70    16  0.54  molprobity     1  True   
570  570  t         -87.3   108.3  Favored     5     6  0.41     8  0.57  molprobity     1  True   
571  571  mt-10     -73.6   -20.0  Favored     6     9  0.99    12  0.53  molprobity     1  True   
572  572  pttp      -84.9   -36.4  Favored    13     9  0.82    11  0.39  molprobity     1  True   
573  573  t70       -87.7   -26.9  Favored     4     8  0.79    11  0.69  molprobity     1  True   
574  574  ?          68.9    17.4  Favored     3     4  0.44     5  0.44  molprobity     1  True   
575  575  OUTLIER  -122.7   170.3  Favored    13     9  0.98    11  0.81  molprobity     1  True   
576  576  ?        -100.4   108.2  Favored     5     5  0.59     7  0.90  molprobity     1  True   
577  577  mt       -100.9  -177.2  Favored    11     8  0.85    11  0.42  molprobity     1  True   
578  578  p        -112.9   161.6  Favored     4     6  0.75     8  0.66  molprobity     1  True   
579  579  t90       -54.7   -44.1  Favored    10    16  0.53    23  0.39  molprobity     1  True   
580  580  t         -60.5   -41.0  Favored     9     7  1.16    10  0.31  molprobity     1  True   
581  581  m         -75.4   -26.1  Favored     4     6  0.95     8  0.39  molprobity     1  True   
582  582  ?         -74.7   -36.0  Favored     5     5  0.70     7  0.49  molprobity     1  True   
583  583  mm-40     -94.9    -2.7  Favored     8     9  0.76    12  0.45  molprobity     1  True   
584  584  t         -68.4  -175.1  Allowed     5     6  0.99     8  0.58  molprobity     1  True   
585  585  mmt180    -65.8    -4.4  Favored    13    11  0.86    14  1.17  molprobity     ?  False  
586  586  mmtt      -54.7   -70.7  Allowed    13     9  0.75    11  0.64  molprobity     ?  False  
587  587  p-80     -172.9  -178.0  Allowed     7    11  0.74    15  0.30  molprobity     ?  False  
588  588  tpt180    -99.8   149.7  Favored    13    11  0.85    14  0.55  molprobity     ?  False  
589  589  p-10      -82.8   107.4  Favored     4     8  0.78    11  0.75  molprobity     ?  False  
590  590  m-70      -95.4   -62.9  Allowed     7    11  0.53    15  0.35  molprobity     ?  False  
591  591  ?        -115.6    58.9  Allowed     5     5  0.57     7  0.84  molprobity     1  True   
592  592  mtp      -129.3   107.2  Favored     9     8  0.61    10  1.03  molprobity     1  True   
593  593  m         -91.2   161.7  Favored     9     7  1.31    11  0.58  molprobity     1  True   
594  594  Cg_endo   -76.1   167.8  Favored     7     8  0.99    11  0.28  molprobity     1  True   
595  595  mt       -112.5   114.0  Favored    11     8  0.90    11  0.50  molprobity     1  True   
596  596  pt-20    -141.3    56.6  Allowed     6     9  0.90    12  0.93  molprobity     ?  False  
597  597  OUTLIER       ?       ?  ?           6     7  1.27     8  0.87  molprobity     ?  False  
598  598  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
599  599  ?             ?       ?  ?           2     4  0.16     5  0.66  molprobity     ?  False  
600  600  t        -133.6    14.5  Favored     7     7  1.10    10  0.55  molprobity     ?  False  
601  601  pm0       -70.6   -17.9  Favored     8     9  0.97    12  0.60  molprobity     ?  False  
602  602  ?         171.9  -179.0  Favored     3     4  0.40     5  0.56  molprobity     ?  False  
603  603  OUTLIER   -90.4    40.9  Allowed     6     9  1.31    12  0.81  molprobity     1  True   
604  604  mtt85    -110.0   132.4  Favored    13    11  0.81    14  0.81  molprobity     1  True   
605  605  OUTLIER   -62.5   103.1  Allowed     4     6  0.67     8  0.64  molprobity     1  True   
606  606  ?         -61.0   -15.7  Favored     5     5  0.83     7  0.68  molprobity     1  True   
607  607  t         -74.6   -44.0  Favored     9     7  1.13    10  0.38  molprobity     1  True   
608  608  OUTLIER  -100.3   -39.9  Favored     7    11  0.82    15  0.57  molprobity     1  True   
609  609  ?         100.0   -10.7  Favored     3     4  0.70     5  0.41  molprobity     1  True   
610  610  mm-40     -74.3   145.8  Favored     6     9  0.99    12  0.57  molprobity     1  True   
611  611  ttp180    -62.5   144.2  Favored    13    11  0.88    14  1.08  molprobity     1  True   
612  612  pp       -109.5   141.8  Favored    11     8  1.20    11  0.91  molprobity     1  True   
613  613  m80      -148.6    94.5  Favored     7    11  0.59    15  0.64  molprobity     1  True   
614  614  tp       -170.0   158.6  Favored    11     8  0.91    11  0.63  molprobity     1  True   
615  615  t80      -138.1   109.8  Favored     9    12  0.73    16  0.39  molprobity     1  True   
616  616  m         -65.6   110.9  Favored     5     6  0.32     8  0.51  molprobity     1  True   
617  617  mt-10     -76.1   -32.5  Favored     6     9  0.71    12  0.58  molprobity     1  True   
618  618  ptmm?     -81.6   -11.9  Favored    13     9  0.82    11  0.40  molprobity     1  True   
619  619  t70      -131.3   -27.8  Allowed     4     8  0.85    11  0.69  molprobity     1  True   
620  620  ?          78.0    40.3  Favored     3     4  0.51     5  0.51  molprobity     1  True   
621  621  mmmm     -120.0   153.6  Favored    13     9  0.84    11  0.42  molprobity     1  True   
622  622  ?        -102.0   107.0  Favored     5     5  0.59     7  0.64  molprobity     1  True   
623  623  mt       -107.1  -175.7  Favored    11     8  0.86    11  0.33  molprobity     1  True   
624  624  p        -105.4   167.0  Favored     4     6  0.51     8  0.55  molprobity     1  True   
625  625  t90       -56.6   -36.3  Favored    10    16  0.57    23  0.40  molprobity     1  True   
626  626  t         -59.5   -37.5  Favored     9     7  1.24    10  0.40  molprobity     1  True   
627  627  m         -72.8   -23.3  Favored     4     6  0.80     8  0.36  molprobity     1  True   
628  628  ?         -87.9    -1.9  Favored     5     5  0.65     7  0.32  molprobity     1  True   
629  629  mm-40    -120.2    12.8  Favored     8     9  0.77    12  0.59  molprobity     1  True   
630  630  t         -69.9   166.1  Favored     5     6  0.87     8  0.75  molprobity     1  True   
631  631  tpp180    -62.5   -36.7  Favored    13    11  0.81    14  0.85  molprobity     ?  False  
632  632  tptt      -86.2   -45.5  Favored    13     9  0.77    11  0.42  molprobity     ?  False  
633  633  m-70     -123.7   135.9  Favored     7    11  0.57    15  0.36  molprobity     ?  False  
634  634  ttm-85   -146.5   -79.3  Allowed    13    11  0.88    14  1.06  molprobity     ?  False  
635  635  p-10     -103.3    37.9  Allowed     4     8  0.80    11  0.72  molprobity     ?  False  
636  636  m-70      -84.9   176.2  Favored     7    11  0.53    15  0.28  molprobity     ?  False  
637  637  ?         -67.3    89.8  Allowed     5     5  0.63     7  0.81  molprobity     1  True   
638  638  ptp      -156.0   129.7  Favored     9     8  0.71    10  0.82  molprobity     1  True   
639  639  m        -106.3   134.3  Favored     9     7  1.25    11  0.51  molprobity     1  True   
640  640  Cg_endo   -68.8   120.3  Favored     7     8  0.83    11  0.26  molprobity     1  True   
641  641  mt        -73.1    85.0  Allowed    11     8  0.81    11  0.39  molprobity     1  True   
642  642  OUTLIER  -131.5   100.3  Favored     6     9  1.11    12  0.79  molprobity     ?  False  
643  643  pt-20         ?       ?  ?           6     7  1.15     8  0.74  molprobity     ?  False  
644  644  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
645  645  ?             ?       ?  ?           2     4  0.62     5  0.55  molprobity     ?  False  
646  646  p         -68.1   -24.6  Favored     7     7  0.83    10  0.41  molprobity     ?  False  
647  647  tt0       -71.4    91.4  Allowed     8     9  0.79    12  0.52  molprobity     ?  False  
648  648  ?        -103.4    82.8  Allowed     3     4  0.28     5  0.48  molprobity     ?  False  
649  649  OUTLIER   -83.2    25.2  Allowed     6     9  1.26    12  0.79  molprobity     1  True   
650  650  mtt180   -122.4   134.1  Favored    13    11  0.69    14  0.77  molprobity     1  True   
651  651  t         -64.6   103.3  Allowed     4     6  0.56     8  0.73  molprobity     1  True   
652  652  ?         -56.0   -19.3  Favored     5     5  0.80     7  0.64  molprobity     1  True   
653  653  t         -69.2   -51.3  Favored     9     7  1.12    10  0.41  molprobity     1  True   
654  654  OUTLIER   -95.4   -38.4  Favored     7    11  0.78    15  0.59  molprobity     1  True   
655  655  ?          95.2    17.8  Favored     3     4  0.68     5  0.42  molprobity     1  True   
656  656  OUTLIER  -105.4   166.7  Favored     6     9  1.26    12  0.91  molprobity     1  True   
657  657  ttt180    -68.7   124.0  Favored    13    11  0.73    14  0.90  molprobity     1  True   
658  658  pp        -90.7   131.1  Favored    11     8  1.40    11  0.83  molprobity     1  True   
659  659  m-70     -143.8    93.8  Favored     7    11  0.50    15  0.69  molprobity     1  True   
660  660  tm?      -170.1   150.8  Favored    11     8  1.12    11  0.96  molprobity     1  True   
661  661  t80      -144.5   110.4  Favored     9    12  0.72    16  0.45  molprobity     1  True   
662  662  t         -86.3   112.8  Favored     5     6  0.25     8  0.72  molprobity     1  True   
663  663  mt-10     -73.6   -31.4  Favored     6     9  0.76    12  0.50  molprobity     1  True   
664  664  OUTLIER   -78.8   -45.1  Favored    13     9  0.84    11  0.53  molprobity     1  True   
665  665  t70       -79.9   -22.9  Favored     4     8  0.85    11  0.68  molprobity     1  True   
666  666  ?          66.7    40.6  Favored     3     4  0.54     5  0.49  molprobity     1  True   
667  667  mtpp     -132.7   138.8  Favored    13     9  0.82    11  0.45  molprobity     1  True   
668  668  ?         -80.0   100.2  Favored     5     5  0.64     7  0.80  molprobity     1  True   
669  669  mt        -95.3  -178.5  Favored    11     8  0.90    11  0.36  molprobity     1  True   
670  670  p        -110.7   173.1  Favored     4     6  0.59     8  0.47  molprobity     1  True   
671  671  t90       -59.3   -38.7  Favored    10    16  0.60    23  0.30  molprobity     1  True   
672  672  t         -62.7   -43.0  Favored     9     7  1.29    10  0.30  molprobity     1  True   
673  673  m         -78.7   -15.5  Favored     4     6  0.91     8  0.35  molprobity     1  True   
674  674  ?         -78.7   -33.3  Favored     5     5  0.76     7  0.55  molprobity     1  True   
675  675  mm-40     -80.6   -27.2  Favored     8     9  0.70    12  0.44  molprobity     1  True   
676  676  t         -68.8   110.7  Favored     5     6  0.79     8  0.57  molprobity     1  True   
677  677  mtp180    -90.6    38.7  Allowed    13    11  0.92    14  0.89  molprobity     ?  False  
678  678  tptp      -56.8   -42.5  Favored    13     9  0.82    11  0.51  molprobity     ?  False  
679  679  m80      -115.9   -74.0  Allowed     7    11  0.48    15  0.48  molprobity     ?  False  
680  680  ptp180   -172.6   165.7  Favored    13    11  0.92    14  0.91  molprobity     ?  False  
681  681  p-10      -94.8  -145.1  Allowed     4     8  1.09    11  0.98  molprobity     ?  False  
682  682  m80        78.0   140.9  Allowed     7    11  0.85    15  0.61  molprobity     ?  False  
683  683  ?          47.4    59.9  Favored     5     5  0.89     7  0.66  molprobity     1  True   
684  684  mtm      -136.1   110.0  Favored     9     8  0.72    10  0.79  molprobity     1  True   
685  685  m        -103.8   132.4  Favored     9     7  1.28    11  0.50  molprobity     1  True   
686  686  Cg_endo   -67.3   141.8  Favored     7     8  0.76    11  0.19  molprobity     1  True   
687  687  mt        -75.1   100.6  Favored    11     8  0.83    11  0.55  molprobity     1  True   
688  688  tp10     -120.1    67.3  Allowed     6     9  1.02    12  0.95  molprobity     ?  False  
689  689  tt0           ?       ?  ?           6     7  1.01     8  0.89  molprobity     ?  False  
690  690  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
691  691  ?             ?       ?  ?           2     4  0.55     5  0.75  molprobity     ?  False  
692  692  m         -63.0    93.5  Allowed     7     7  0.92    10  0.53  molprobity     ?  False  
693  693  mm-40     -82.9   109.7  Favored     8     9  0.89    12  0.49  molprobity     ?  False  
694  694  ?         -74.4  -112.1  OUTLIER     3     4  0.79     5  0.28  molprobity     ?  False  
695  695  mp0       -83.5    64.8  Favored     6     9  0.91    12  0.79  molprobity     1  True   
696  696  mtp85    -130.9   131.4  Favored    13    11  0.95    14  0.68  molprobity     1  True   
697  697  t         -69.5   101.5  Allowed     4     6  0.89     8  0.57  molprobity     1  True   
698  698  ?         -67.7   -10.8  Favored     5     5  0.79     7  0.62  molprobity     1  True   
699  699  t         -68.7   -51.4  Favored     9     7  0.94    10  0.45  molprobity     1  True   
700  700  m-70      -89.5   -31.8  Favored     7    11  0.78    15  0.57  molprobity     1  True   
701  701  ?          93.7    -0.4  Favored     3     4  0.74     5  0.57  molprobity     1  True   
702  702  pt-20     -78.5   159.1  Favored     6     9  1.01    12  0.58  molprobity     1  True   
703  703  tpt180    -72.0   132.6  Favored    13    11  0.73    14  0.93  molprobity     1  True   
704  704  pp       -101.2   148.6  Favored    11     8  1.14    11  0.98  molprobity     1  True   
705  705  m80      -144.9    94.9  Favored     7    11  0.57    15  0.49  molprobity     1  True   
706  706  tm?      -170.4   115.4  Allowed    11     8  1.18    11  0.88  molprobity     1  True   
707  707  t80       -95.2   113.2  Favored     9    12  0.82    16  0.49  molprobity     1  True   
708  708  t         -85.4   112.9  Favored     5     6  0.23     8  0.64  molprobity     1  True   
709  709  mt-10     -75.9   -32.8  Favored     6     9  0.88    12  0.52  molprobity     1  True   
710  710  ptmt      -74.6   -39.5  Favored    13     9  0.95    11  0.55  molprobity     1  True   
711  711  t70       -86.2   -26.6  Favored     4     8  0.83    11  0.70  molprobity     1  True   
712  712  ?          70.4    27.2  Favored     3     4  0.57     5  0.45  molprobity     1  True   
713  713  mmtt     -131.7   153.0  Favored    13     9  0.65    11  0.55  molprobity     1  True   
714  714  ?         -84.3   100.2  Favored     5     5  0.70     7  0.86  molprobity     1  True   
715  715  mt        -89.6  -177.7  Favored    11     8  0.97    11  0.39  molprobity     1  True   
716  716  p        -112.4   160.7  Favored     4     6  0.45     8  0.64  molprobity     1  True   
717  717  t90       -52.3   -43.3  Favored    10    16  0.52    23  0.36  molprobity     1  True   
718  718  t         -59.2   -47.0  Favored     9     7  1.13    10  0.51  molprobity     1  True   
719  719  m         -79.3   -14.8  Favored     4     6  0.89     8  0.38  molprobity     1  True   
720  720  ?         -82.2   -39.5  Favored     5     5  0.74     7  0.38  molprobity     1  True   
721  721  mt-30     -91.8    14.8  Favored     8     9  0.85    12  0.47  molprobity     1  True   
722  722  t         -74.4   161.8  Favored     5     6  0.85     8  0.35  molprobity     1  True   
723  723  tpt180    -61.7   -24.9  Favored    13    11  0.93    14  0.93  molprobity     ?  False  
724  724  tptp      -63.1   -29.7  Favored    13     9  0.91    11  0.37  molprobity     ?  False  
725  725  m80      -125.0   161.7  Favored     7    11  0.61    15  0.42  molprobity     ?  False  
726  726  mtt180   -139.6   -75.3  Allowed    13    11  0.80    14  1.12  molprobity     ?  False  
727  727  t70      -170.9   101.1  Allowed     4     8  0.66    11  0.82  molprobity     ?  False  
728  728  m-70     -127.8   -61.9  Allowed     7    11  0.53    15  0.75  molprobity     ?  False  
729  729  ?        -175.1    86.3  OUTLIER     5     5  0.53     7  1.06  molprobity     1  True   
730  730  ptm      -167.1   110.9  Allowed     9     8  0.78    10  0.98  molprobity     1  True   
731  731  m        -116.3   136.9  Favored     9     7  1.36    11  0.54  molprobity     1  True   
732  732  Cg_endo   -61.3   142.6  Favored     7     8  0.97    11  0.34  molprobity     1  True   
733  733  mt        -68.6   108.9  Favored    11     8  0.90    11  0.38  molprobity     1  True   
734  734  mt-10     -87.1    64.3  Favored     6     9  0.90    12  0.61  molprobity     ?  False  
735  735  tt0           ?       ?  ?           6     7  1.00     8  0.55  molprobity     ?  False  
736  736  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
737  737  ?             ?       ?  ?           2     4  0.49     5  0.53  molprobity     ?  False  
738  738  m         -61.8   -37.0  Favored     7     7  0.85    10  0.50  molprobity     ?  False  
739  739  mt-30     -88.0    44.7  Allowed     8     9  0.85    12  0.44  molprobity     ?  False  
740  740  ?         -67.8    91.9  Allowed     3     4  0.45     5  0.81  molprobity     ?  False  
741  741  mm-40     -68.2    78.4  Allowed     6     9  0.96    12  0.61  molprobity     1  True   
742  742  mtp180   -124.2   133.9  Favored    13    11  0.82    14  0.81  molprobity     1  True   
743  743  t         -67.5   100.4  Allowed     4     6  0.42     8  0.59  molprobity     1  True   
744  744  ?         -67.5   -13.7  Favored     5     5  0.79     7  0.65  molprobity     1  True   
745  745  t         -61.9   -44.0  Favored     9     7  1.06    10  0.40  molprobity     1  True   
746  746  m-70     -104.4   -38.0  Favored     7    11  0.74    15  0.64  molprobity     1  True   
747  747  ?         101.8    -3.3  Favored     3     4  0.85     5  0.40  molprobity     1  True   
748  748  pt-20     -75.5   157.4  Favored     6     9  0.89    12  0.44  molprobity     1  True   
749  749  ttp-105   -72.4   124.1  Favored    13    11  0.82    14  1.01  molprobity     1  True   
750  750  pp        -84.0   134.8  Favored    11     8  1.20    11  0.83  molprobity     1  True   
751  751  m-70     -146.4    94.8  Favored     7    11  0.52    15  0.63  molprobity     1  True   
752  752  tm?      -171.8   153.5  Favored    11     8  1.12    11  0.88  molprobity     1  True   
753  753  t80      -143.8   120.1  Favored     9    12  0.78    16  0.48  molprobity     1  True   
754  754  t         -82.7   125.6  Favored     5     6  0.48     8  0.47  molprobity     1  True   
755  755  mm-40     -69.5   -32.4  Favored     6     9  0.92    12  0.61  molprobity     1  True   
756  756  OUTLIER   -91.0   -41.5  Favored    13     9  0.89    11  0.60  molprobity     1  True   
757  757  t70       -78.8   -28.4  Favored     4     8  0.93    11  0.58  molprobity     1  True   
758  758  ?          71.5    35.9  Favored     3     4  0.54     5  0.43  molprobity     1  True   
759  759  mmmt     -133.7   147.1  Favored    13     9  0.85    11  0.57  molprobity     1  True   
760  760  ?         -82.0   100.5  Favored     5     5  0.56     7  0.76  molprobity     1  True   
761  761  mt       -100.6  -175.8  Favored    11     8  0.84    11  0.44  molprobity     1  True   
762  762  p        -110.7   170.8  Favored     4     6  0.55     8  0.51  molprobity     1  True   
763  763  t90       -57.2   -47.0  Favored    10    16  0.70    23  0.41  molprobity     1  True   
764  764  t         -55.3   -47.6  Favored     9     7  1.19    10  0.47  molprobity     1  True   
765  765  m         -76.7   -19.7  Favored     4     6  0.72     8  0.21  molprobity     1  True   
766  766  ?         -81.2   -34.4  Favored     5     5  0.55     7  0.65  molprobity     1  True   
767  767  mm100    -114.5    17.6  Favored     8     9  0.67    12  0.54  molprobity     1  True   
768  768  t         -70.8   165.4  Favored     5     6  0.69     8  0.42  molprobity     1  True   
769  769  ttp180    -60.6   139.0  Favored    13    11  0.95    14  1.05  molprobity     ?  False  
770  770  OUTLIER    80.3   -41.0  Allowed    13     9  1.32    11  1.00  molprobity     ?  False  
771  771  m80       -65.3   100.9  Allowed     7    11  0.65    15  0.36  molprobity     ?  False  
772  772  ptm180    -85.3   157.2  Favored    13    11  0.86    14  0.61  molprobity     ?  False  
773  773  m-20      -70.6   102.8  Favored     4     8  0.55    11  0.68  molprobity     ?  False  
774  774  p-80     -123.6  -158.2  Allowed     7    11  0.66    15  0.56  molprobity     ?  False  
775  775  ?         -66.6    89.4  Allowed     5     5  0.79     7  0.82  molprobity     1  True   
776  776  mmt      -121.0   119.8  Favored     9     8  0.64    10  0.74  molprobity     1  True   
777  777  m        -117.7   145.7  Favored     9     7  1.42    11  0.53  molprobity     1  True   
778  778  Cg_endo   -70.7   151.6  Favored     7     8  0.99    11  0.41  molprobity     1  True   
779  779  mt        -94.4   134.1  Favored    11     8  0.76    11  0.54  molprobity     1  True   
780  780  OUTLIER  -134.2   166.0  Favored     6     9  1.13    12  0.70  molprobity     ?  False  
781  781  pt-20         ?       ?  ?           6     7  1.04     8  0.81  molprobity     ?  False  
782  782  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
783  783  ?             ?       ?  ?           2     4  0.22     5  0.60  molprobity     ?  False  
784  784  t        -148.4  -174.6  Favored     7     7  0.96    10  0.51  molprobity     ?  False  
785  785  pt20      -67.3  -179.9  Allowed     8     9  0.90    12  0.46  molprobity     ?  False  
786  786  ?         -75.6    76.1  Allowed     3     4  0.44     5  0.58  molprobity     ?  False  
787  787  pt-20     -84.5   -16.5  Favored     6     9  0.88    12  0.60  molprobity     1  True   
788  788  mtt85    -119.0   136.1  Favored    13    11  0.75    14  0.87  molprobity     1  True   
789  789  t         -69.7   102.0  Allowed     4     6  0.41     8  0.76  molprobity     1  True   
790  790  ?         -61.7   -20.0  Favored     5     5  0.75     7  0.67  molprobity     1  True   
791  791  t         -62.5   -40.3  Favored     9     7  1.13    10  0.39  molprobity     1  True   
792  792  m-70     -107.6   -38.2  Favored     7    11  0.71    15  0.55  molprobity     1  True   
793  793  ?          94.3    25.6  Favored     3     4  0.68     5  0.36  molprobity     1  True   
794  794  OUTLIER  -113.4   152.5  Favored     6     9  1.27    12  0.89  molprobity     1  True   
795  795  ttm180    -70.2   122.9  Favored    13    11  0.83    14  0.99  molprobity     1  True   
796  796  pp        -81.0   138.6  Favored    11     8  1.02    11  0.79  molprobity     1  True   
797  797  m-70     -144.8    98.1  Favored     7    11  0.65    15  0.72  molprobity     1  True   
798  798  tm?      -168.3   143.1  Favored    11     8  1.05    11  0.99  molprobity     1  True   
799  799  t80      -129.7   115.2  Favored     9    12  0.70    16  0.46  molprobity     1  True   
800  800  t         -97.0   132.0  Favored     5     6  0.30     8  0.52  molprobity     1  True   
801  801  mm-40     -74.3   -52.2  Favored     6     9  0.87    12  0.54  molprobity     1  True   
802  802  ptmm?     -63.1   -38.7  Favored    13     9  0.85    11  0.53  molprobity     1  True   
803  803  t0        -83.7   -29.7  Favored     4     8  0.79    11  0.70  molprobity     1  True   
804  804  ?          66.2    34.7  Favored     3     4  0.37     5  0.47  molprobity     1  True   
805  805  mmmm     -132.7   147.3  Favored    13     9  0.82    11  0.64  molprobity     1  True   
806  806  ?         -84.2   100.0  Favored     5     5  0.54     7  0.90  molprobity     1  True   
807  807  mt        -93.9  -177.3  Favored    11     8  0.90    11  0.27  molprobity     1  True   
808  808  p        -108.9   159.7  Favored     4     6  0.59     8  0.44  molprobity     1  True   
809  809  t90       -58.9   -33.9  Favored    10    16  0.58    23  0.33  molprobity     1  True   
810  810  t         -63.7   -43.5  Favored     9     7  1.24    10  0.31  molprobity     1  True   
811  811  m         -77.7   -17.9  Favored     4     6  0.93     8  0.37  molprobity     1  True   
812  812  ?         -73.5   -40.6  Favored     5     5  0.51     7  0.46  molprobity     1  True   
813  813  mm-40     -87.2    -9.9  Favored     8     9  0.77    12  0.48  molprobity     1  True   
814  814  p         -72.7   109.0  Favored     5     6  0.83     8  0.61  molprobity     1  True   
815  815  ttt180    -77.4    10.1  Favored    13    11  0.94    14  0.85  molprobity     ?  False  
816  816  mtmt      -62.6   -17.5  Favored    13     9  0.65    11  0.47  molprobity     ?  False  
817  817  m80      -104.4  -177.3  Favored     7    11  0.55    15  0.49  molprobity     ?  False  
818  818  ttm180   -143.5   140.2  Favored    13    11  0.81    14  0.90  molprobity     ?  False  
819  819  m-20      -63.8    98.9  Allowed     4     8  0.58    11  0.51  molprobity     ?  False  
820  820  t60      -141.5    92.8  Favored     7    11  0.73    15  0.68  molprobity     ?  False  
821  821  ?          56.7    61.8  Favored     5     5  0.80     7  0.81  molprobity     1  True   
822  822  mtp      -122.2   109.1  Favored     9     8  0.64    10  0.74  molprobity     1  True   
823  823  m        -108.0   162.7  Favored     9     7  1.48    11  0.53  molprobity     1  True   
824  824  Cg_endo   -66.8   150.3  Favored     7     8  0.93    11  0.26  molprobity     1  True   
825  825  tt        -69.4    97.2  Allowed    11     8  1.00    11  0.76  molprobity     1  True   
826  826  tt0      -145.5   130.4  Favored     6     9  0.83    12  0.55  molprobity     ?  False  
827  827  pt-20         ?       ?  ?           6     7  0.97     8  0.62  molprobity     ?  False  
828  828  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
829  829  ?             ?       ?  ?           2     4  0.80     5  0.40  molprobity     ?  False  
830  830  t         -90.7    -1.7  Favored     7     7  1.03    10  0.60  molprobity     ?  False  
831  831  mt-30      56.4    71.2  Allowed     8     9  0.79    12  0.61  molprobity     ?  False  
832  832  ?         -77.2    47.5  Favored     3     4  0.76     5  0.66  molprobity     ?  False  
833  833  pt-20     -94.7     5.5  Favored     6     9  0.80    12  0.63  molprobity     1  True   
834  834  mtm-85   -115.3   135.0  Favored    13    11  0.77    14  0.86  molprobity     1  True   
835  835  t         -69.4   102.1  Allowed     4     6  0.41     8  0.81  molprobity     1  True   
836  836  ?         -50.7   -30.1  Favored     5     5  0.68     7  0.59  molprobity     1  True   
837  837  t         -64.7   -42.9  Favored     9     7  1.04    10  0.43  molprobity     1  True   
838  838  OUTLIER  -101.9   -37.8  Favored     7    11  0.79    15  0.56  molprobity     1  True   
839  839  ?         100.9     3.9  Favored     3     4  0.82     5  0.38  molprobity     1  True   
840  840  OUTLIER   -94.8   166.5  Favored     6     9  1.25    12  0.78  molprobity     1  True   
841  841  ttt180    -73.1   120.9  Favored    13    11  0.82    14  0.68  molprobity     1  True   
842  842  pp        -80.2   137.0  Favored    11     8  1.20    11  0.78  molprobity     1  True   
843  843  m-70     -145.0    95.0  Favored     7    11  0.50    15  0.67  molprobity     1  True   
844  844  tm?      -172.2   149.3  Favored    11     8  1.07    11  0.86  molprobity     1  True   
845  845  t80      -130.5   114.2  Favored     9    12  0.70    16  0.38  molprobity     1  True   
846  846  t         -84.2   120.2  Favored     5     6  0.13     8  0.59  molprobity     1  True   
847  847  mt-10     -70.9   -39.6  Favored     6     9  0.66    12  0.52  molprobity     1  True   
848  848  OUTLIER   -76.4   -34.5  Favored    13     9  0.83    11  0.66  molprobity     1  True   
849  849  t70       -84.9   -26.6  Favored     4     8  0.76    11  0.78  molprobity     1  True   
850  850  ?          69.7    14.0  Favored     3     4  0.37     5  0.41  molprobity     1  True   
851  851  mmmt     -114.0   150.0  Favored    13     9  0.81    11  0.64  molprobity     1  True   
852  852  ?         -78.2   101.3  Favored     5     5  0.62     7  0.85  molprobity     1  True   
853  853  mt        -94.9  -177.3  Favored    11     8  0.84    11  0.38  molprobity     1  True   
854  854  p        -111.8   168.2  Favored     4     6  0.42     8  0.48  molprobity     1  True   
855  855  t90       -65.0   -32.1  Favored    10    16  0.57    23  0.31  molprobity     1  True   
856  856  t         -59.4   -46.4  Favored     9     7  1.22    10  0.44  molprobity     1  True   
857  857  m         -79.4   -19.2  Favored     4     6  0.73     8  0.33  molprobity     1  True   
858  858  ?         -71.4   -49.4  Favored     5     5  0.55     7  0.46  molprobity     1  True   
859  859  pt20      -77.3   -18.4  Favored     8     9  0.77    12  0.39  molprobity     1  True   
860  860  t         -65.2   142.4  Favored     5     6  0.69     8  0.51  molprobity     1  True   
861  861  mtp180    -65.8   121.4  Favored    13    11  0.75    14  0.87  molprobity     ?  False  
862  862  OUTLIER  -113.7   163.2  Favored    13     9  0.90    11  0.80  molprobity     ?  False  
863  863  p-80      -60.9   -28.6  Favored     7    11  0.59    15  0.49  molprobity     ?  False  
864  864  tpt180   -165.9    91.4  Allowed    13    11  0.68    14  0.82  molprobity     ?  False  
865  865  p-10     -109.1   111.0  Favored     4     8  0.86    11  0.65  molprobity     ?  False  
866  866  p80      -166.9   -46.9  OUTLIER     7    11  0.68    15  0.47  molprobity     ?  False  
867  867  ?         -72.9    89.3  Allowed     5     5  0.60     7  0.74  molprobity     1  True   
868  868  ptp      -161.8   142.3  Favored     9     8  0.55    10  0.89  molprobity     1  True   
869  869  m        -128.0   150.2  Favored     9     7  1.32    11  0.48  molprobity     1  True   
870  870  Cg_endo   -74.3   140.8  Favored     7     8  0.91    11  0.25  molprobity     1  True   
871  871  mt        -87.9    92.3  Favored    11     8  0.77    11  0.42  molprobity     1  True   
872  872  tt0      -114.7    81.2  Allowed     6     9  0.72    12  0.81  molprobity     ?  False  
873  873  mt-10         ?       ?  ?           6     7  0.87     8  0.63  molprobity     ?  False  
874  874  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
875  875  ?             ?       ?  ?           2     4  0.56     5  0.37  molprobity     ?  False  
876  876  p         -99.4    90.4  Favored     7     7  0.85    10  0.49  molprobity     ?  False  
877  877  OUTLIER  -156.1   167.2  Favored     8     9  0.81    12  0.57  molprobity     ?  False  
878  878  ?          73.9    73.2  Allowed     3     4  0.17     5  0.55  molprobity     ?  False  
879  879  mm-40     -62.4   122.2  Favored     6     9  0.83    12  0.61  molprobity     1  True   
880  880  mtt180   -129.3   135.3  Favored    13    11  0.74    14  0.76  molprobity     1  True   
881  881  t         -73.2   102.0  Favored     4     6  0.51     8  0.62  molprobity     1  True   
882  882  ?         -61.3   -20.3  Favored     5     5  0.69     7  0.61  molprobity     1  True   
883  883  t         -67.1   -40.8  Favored     9     7  0.97    10  0.34  molprobity     1  True   
884  884  m-70     -103.5   -38.8  Favored     7    11  0.65    15  0.65  molprobity     1  True   
885  885  ?          90.1    56.3  Allowed     3     4  0.31     5  0.84  molprobity     1  True   
886  886  pt-20    -142.1   161.1  Favored     6     9  0.86    12  0.54  molprobity     1  True   
887  887  ttm180    -72.7   140.6  Favored    13    11  0.90    14  0.94  molprobity     1  True   
888  888  pp       -114.1   140.2  Favored    11     8  1.10    11  0.89  molprobity     1  True   
889  889  m80      -142.4    95.3  Favored     7    11  0.49    15  0.58  molprobity     1  True   
890  890  tm?      -169.1   148.3  Favored    11     8  1.01    11  0.83  molprobity     1  True   
891  891  t80      -132.9   119.1  Favored     9    12  0.66    16  0.41  molprobity     1  True   
892  892  t         -79.1   108.3  Favored     5     6  0.37     8  0.58  molprobity     1  True   
893  893  mt-10     -75.8   -34.8  Favored     6     9  0.72    12  0.53  molprobity     1  True   
894  894  pttm      -69.5   -22.8  Favored    13     9  0.86    11  0.47  molprobity     1  True   
895  895  t70      -111.2   -30.8  Favored     4     8  0.74    11  0.64  molprobity     1  True   
896  896  ?          75.5    48.4  Favored     3     4  0.30     5  0.40  molprobity     1  True   
897  897  mmmm     -141.4   146.5  Favored    13     9  0.92    11  0.57  molprobity     1  True   
898  898  ?         -81.2   107.3  Favored     5     5  0.43     7  0.55  molprobity     1  True   
899  899  mt       -102.5  -176.3  Favored    11     8  0.78    11  0.31  molprobity     1  True   
900  900  p        -108.5   159.2  Favored     4     6  0.49     8  0.46  molprobity     1  True   
901  901  t90       -52.4   -39.6  Favored    10    16  0.55    23  0.33  molprobity     1  True   
902  902  t         -57.9   -52.1  Favored     9     7  1.03    10  0.41  molprobity     1  True   
903  903  m         -72.9   -19.0  Favored     4     6  0.62     8  0.34  molprobity     1  True   
904  904  ?         -72.2   -57.3  Favored     5     5  0.37     7  0.58  molprobity     1  True   
905  905  mm-40     -74.4   -30.1  Favored     8     9  0.59    12  0.46  molprobity     1  True   
906  906  t         -73.7    94.5  Favored     5     6  0.76     8  0.73  molprobity     1  True   
907  907  OUTLIER  -133.3   147.2  Favored    13    11  0.77    14  0.74  molprobity     ?  False  
908  908  tmtt?     -62.0   -51.0  Favored    13     9  0.87    11  0.71  molprobity     ?  False  
909  909  m80      -104.5   -88.4  Allowed     7    11  0.72    15  0.42  molprobity     ?  False  
910  910  tpp180   -163.1   151.3  Favored    13    11  1.14    14  1.08  molprobity     ?  False  
911  911  m-20      -50.8   149.5  Favored     4     8  0.80    11  0.59  molprobity     ?  False  
912  912  m170     -125.3   -67.2  Allowed     7    11  0.57    15  0.38  molprobity     ?  False  
913  913  ?        -124.4    92.7  Favored     5     5  0.54     7  0.83  molprobity     1  True   
914  914  mmt      -137.5   121.3  Favored     9     8  0.64    10  0.68  molprobity     1  True   
915  915  m        -129.0   141.4  Favored     9     7  1.34    11  0.52  molprobity     1  True   
916  916  Cg_endo   -70.2   150.8  Favored     7     8  0.83    11  0.17  molprobity     1  True   
917  917  mt        -80.8    86.0  Favored    11     8  0.78    11  0.57  molprobity     1  True   
918  918  mm-40     -95.8    52.8  Allowed     6     9  0.92    12  0.77  molprobity     ?  False  
919  919  mt-10         ?       ?  ?           6     7  0.96     8  0.75  molprobity     ?  False  
920  920  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   18  SG     1  0.41  2.55  
 2   25  HD12   1  0.41  2.55  
 3   64  HB3    2  0.41  1.92  
 4   67  HB3    2  0.41  1.92  
 5   83  HA     3  0.62  2.35  
 6   86  SD     3  0.62  2.35  
 7  118  SG     4  0.40  2.56  
 8  120  HB     4  0.40  2.56  
 9  156  HB3    5  0.44  1.88  
10  159  HB3    5  0.44  1.88  
11  164  SG     6  0.46  2.50  
12  166  HB     6  0.46  2.50  
13  171  HA     7  0.48  1.85  
14  174  HB2    7  0.48  1.85  
15  221  HA     8  0.53  2.43  
16  224  SD     8  0.53  2.43  
17  302  SG     9  0.46  2.51  
18  304  HB     9  0.46  2.51  
19  338  HG    10  0.57  1.76  
20  338  HD13  11  0.43  2.28  
21  339  N     11  0.43  2.28  
22  341  HB2   12  0.40  1.94  
23  352  HB2   10  0.57  1.76  
24  358  HG2   13  0.46  2.50  
25  361  HB1   12  0.40  1.94  
26  362  SD    13  0.46  2.50  
27  384  HD13  14  0.41  2.29  
28  385  N     14  0.41  2.29  
29  386  HB3   15  0.45  1.89  
30  389  HB3   15  0.45  1.89  
31  478  HB3   16  0.48  1.85  
32  481  HB2   16  0.48  1.85  
33  524  HB3   17  0.41  1.92  
34  527  HB3   17  0.41  1.92  
35  532  SG    18  0.53  2.44  
36  534  HB    18  0.53  2.44  
37  572  HE3   19  0.46  2.50  
38  589  HB2   20  0.52  1.80  
39  589  HA    21  0.40  2.55  
40  592  HB2   20  0.52  1.80  
41  592  SD    19  0.46  2.50  
42  592  SD    21  0.40  2.55  
43  624  SG    22  0.48  2.48  
44  626  HB    22  0.48  2.48  
45  660  HG    23  0.43  1.89  
46  674  HB2   23  0.43  1.89  
47  716  SG    24  0.42  2.53  
48  718  HB    24  0.42  2.53  
49  752  HD11  25  0.47  2.50  
50  776  SD    25  0.47  2.50  
51  798  HG    26  0.47  1.87  
52  808  SG    27  0.41  2.55  
53  810  HB    27  0.41  2.55  
54  812  HB2   26  0.47  1.87  
55  854  SG    28  0.51  2.45  
56  856  HB    28  0.51  2.45  
57  890  HD11  29  0.42  2.55  
58  900  SG    30  0.50  2.47  
59  902  HB    30  0.50  2.47  
60  914  SD    29  0.42  2.55  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  4        ?     
 2  3        ?     
 3  1        ?     
 4  3        ?     
 5  outlier  ?     
 6  3        True  
 7  outlier  ?     
 8  2        ?     
 9  5        ?     
10  4        ?     
11  1        ?     
12  2        True  
13  outlier  ?     
14  outlier  ?     
15  5        True  
16  4        True  
17  6        ?     
18  2        ?     
19  1        True  
20  6        True  
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      1
_pdbx_vrpt_cyrange_domain.number_of_residues  33
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.470
_pdbx_vrpt_cyrange_domain.medoid_model        19
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.587
_pdbx_vrpt_cyrange_domain.residue_string      "A:90-A:117, A:124-A:128"
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           5
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        TRIM21_Bbox_cshift_86_130
_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           495
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           495
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            495
_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   86  0.504  
 2  A  THR   87  0.479  
 3  A  GLN   88  0.425  
 4  A  GLY   89  0.299  
 5  A  GLU   90  0.170  
 6  A  ARG   91  0.057  
 7  A  CYS   92  0.032  
 8  A  ALA   93  0.027  
 9  A  VAL   94  0.030  
10  A  HIS   95  0.032  
11  A  GLY   96  0.038  
12  A  GLU   97  0.045  
13  A  ARG   98  0.050  
14  A  LEU   99  0.042  
15  A  HIS  100  0.030  
16  A  LEU  101  0.024  
17  A  PHE  102  0.024  
18  A  CYS  103  0.026  
19  A  GLU  104  0.025  
20  A  LYS  105  0.028  
21  A  ASP  106  0.028  
22  A  GLY  107  0.028  
23  A  LYS  108  0.023  
24  A  ALA  109  0.021  
25  A  LEU  110  0.020  
26  A  CYS  111  0.018  
27  A  TRP  112  0.014  
28  A  VAL  113  0.011  
29  A  CYS  114  0.012  
30  A  ALA  115  0.025  
31  A  GLN  116  0.047  
32  A  SER  117  0.065  
33  A  ARG  118  0.064  
34  A  LYS  119  0.048  
35  A  ARG  121  0.032  
36  A  ASP  122  0.040  
37  A  HIS  123  0.043  
38  A  ALA  124  0.041  
39  A  MET  125  0.033  
40  A  VAL  126  0.036  
41  A  PRO  127  0.074  
42  A  LEU  128  0.136  
43  A  GLU  129  0.195  
44  A  GLU  130  0.222  
#
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  0.15  -0.19  38  
2  CA  0.50  0.31  -0.28  41  
3  CB  0.50  0.19  -0.30  38  
4  N   0.50  0.40  -0.52  39  
#
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   7    7  stereomethyl  stereomethyl  
 2  398  44  442  overall       Total         
 3  163   2  165  backbone      Total         
 4  211  30  241  sidechain     Total         
 5   24  12   36  aromatic      Total         
 6  225  19  244  overall       H             
 7   67   0   67  backbone      H             
 8  145  13  158  sidechain     H             
 9   13   6   19  aromatic      H             
10  140  14  154  overall       C             
11   64   2   66  backbone      C             
12   66   8   74  sidechain     C             
13   10   4   14  aromatic      C             
14   33  11   44  overall       N             
15   32   0   32  backbone      N             
16    0   9    9  sidechain     N             
17    1   2    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    7    7  stereomethyl  stereomethyl  
 2  494  113  607  overall       Total         
 3  201   26  227  backbone      Total         
 4  265   65  330  sidechain     Total         
 5   28   22   50  aromatic      Total         
 6  279   53  332  overall       H             
 7   83   10   93  backbone      H             
 8  181   31  212  sidechain     H             
 9   15   12   27  aromatic      H             
10  175   34  209  overall       C             
11   79   11   90  backbone      C             
12   84   17  101  sidechain     C             
13   12    6   18  aromatic      C             
14   40   26   66  overall       N             
15   39    5   44  backbone      N             
16    0   17   17  sidechain     N             
17    1    4    5  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     710  
 2  "Intra-residue (|i-j|=0)"                       158  
 3  "Sequential (|i-j|=1)"                          224  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            122  
 5  "Long range (|i-j|>=5)"                         206  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                58  
10  "Number of unmapped restraints"                   1  
11  "Number of restraints per residue"             17.1  
12  "Number of long range restraints per residue"   4.6  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 158   22.3  0  0.0  0.0   1  0.1   0.6  
 2  Intra-residue  BackboneBackbone      2    0.3  0  0.0  0.0   0  0.0   0.0  
 3  Intra-residue  BackboneSidechain   132   18.6  0  0.0  0.0   1  0.1   0.8  
 4  Intra-residue  SidechainSidechain   24    3.4  0  0.0  0.0   0  0.0   0.0  
 5  Sequential     all                 224   31.5  0  0.0  0.0   9  1.3   4.0  
 6  Sequential     BackboneBackbone     74   10.4  0  0.0  0.0   1  0.1   1.4  
 7  Sequential     BackboneSidechain   129   18.2  0  0.0  0.0   5  0.7   3.9  
 8  Sequential     SidechainSidechain   21    3.0  0  0.0  0.0   3  0.4  14.3  
 9  MediumRange    all                 122   17.2  0  0.0  0.0   9  1.3   7.4  
10  MediumRange    BackboneBackbone     36    5.1  0  0.0  0.0   2  0.3   5.6  
11  MediumRange    BackboneSidechain    54    7.6  0  0.0  0.0   5  0.7   9.3  
12  MediumRange    SidechainSidechain   32    4.5  0  0.0  0.0   2  0.3   6.2  
13  LongRange      all                 206   29.0  0  0.0  0.0  12  1.7   5.8  
14  LongRange      BackboneBackbone     34    4.8  0  0.0  0.0   2  0.3   5.9  
15  LongRange      BackboneSidechain   106   14.9  0  0.0  0.0   6  0.8   5.7  
16  LongRange      SidechainSidechain   66    9.3  0  0.0  0.0   4  0.6   6.1  
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                 710  100.0  0  0.0  0.0  31  4.4   4.4  
24  Total          BackboneBackbone    146   20.6  0  0.0  0.0   5  0.7   3.4  
25  Total          BackboneSidechain   421   59.3  0  0.0  0.0  17  2.4   4.0  
26  Total          SidechainSidechain  143   20.1  0  0.0  0.0   9  1.3   6.3  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.26  0.14  0.12  0.04  
 2   2  0.26  0.18  0.17  0.06  
 3   3  0.23  0.18  0.16  0.03  
 4   4  0.40  0.19  0.15  0.11  
 5   5  0.19  0.14  0.12  0.03  
 6   6  0.23  0.14  0.12  0.04  
 7   7  0.36  0.17  0.13  0.08  
 8   8  0.19  0.16  0.16  0.03  
 9   9  0.20  0.18  0.18  0.02  
10  10  0.17  0.13  0.12  0.02  
11  11  0.58  0.27  0.18  0.17  
12  12  0.48  0.27  0.24  0.13  
13  13  0.23  0.18  0.18  0.04  
14  14  0.22  0.15  0.14  0.03  
15  15  0.22  0.16  0.16  0.04  
16  16  0.24  0.18  0.16  0.04  
17  17  0.18  0.14  0.13  0.03  
18  18  0.36  0.21  0.22  0.09  
19  19  0.18  0.14  0.14  0.03  
20  20  0.18  0.14  0.13  0.02  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue   0  
  2   1  sequential     4  
  3   1  medium         4  
  4   1  long           3  
  5   1  interchain     0  
  6   1  total         11  
  7   2  intraresidue   0  
  8   2  sequential     1  
  9   2  medium         3  
 10   2  long           0  
 11   2  interchain     0  
 12   2  total          4  
 13   3  intraresidue   0  
 14   3  sequential     0  
 15   3  medium         3  
 16   3  long           0  
 17   3  interchain     0  
 18   3  total          3  
 19   4  intraresidue   1  
 20   4  sequential     0  
 21   4  medium         2  
 22   4  long           2  
 23   4  interchain     0  
 24   4  total          5  
 25   5  intraresidue   0  
 26   5  sequential     1  
 27   5  medium         2  
 28   5  long           1  
 29   5  interchain     0  
 30   5  total          4  
 31   6  intraresidue   0  
 32   6  sequential     0  
 33   6  medium         3  
 34   6  long           3  
 35   6  interchain     0  
 36   6  total          6  
 37   7  intraresidue   1  
 38   7  sequential     1  
 39   7  medium         3  
 40   7  long           1  
 41   7  interchain     0  
 42   7  total          6  
 43   8  intraresidue   0  
 44   8  sequential     2  
 45   8  medium         5  
 46   8  long           0  
 47   8  interchain     0  
 48   8  total          7  
 49   9  intraresidue   0  
 50   9  sequential     0  
 51   9  medium         2  
 52   9  long           2  
 53   9  interchain     0  
 54   9  total          4  
 55  10  intraresidue   0  
 56  10  sequential     1  
 57  10  medium         3  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total          4  
 61  11  intraresidue   1  
 62  11  sequential     0  
 63  11  medium         4  
 64  11  long           1  
 65  11  interchain     0  
 66  11  total          6  
 67  12  intraresidue   1  
 68  12  sequential     0  
 69  12  medium         2  
 70  12  long           1  
 71  12  interchain     0  
 72  12  total          4  
 73  13  intraresidue   0  
 74  13  sequential     2  
 75  13  medium         3  
 76  13  long           1  
 77  13  interchain     0  
 78  13  total          6  
 79  14  intraresidue   0  
 80  14  sequential     2  
 81  14  medium         2  
 82  14  long           4  
 83  14  interchain     0  
 84  14  total          8  
 85  15  intraresidue   0  
 86  15  sequential     1  
 87  15  medium         3  
 88  15  long           0  
 89  15  interchain     0  
 90  15  total          4  
 91  16  intraresidue   0  
 92  16  sequential     2  
 93  16  medium         3  
 94  16  long           1  
 95  16  interchain     0  
 96  16  total          6  
 97  17  intraresidue   1  
 98  17  sequential     1  
 99  17  medium         3  
100  17  long           1  
101  17  interchain     0  
102  17  total          6  
103  18  intraresidue   1  
104  18  sequential     1  
105  18  medium         2  
106  18  long           1  
107  18  interchain     0  
108  18  total          5  
109  19  intraresidue   0  
110  19  sequential     1  
111  19  medium         2  
112  19  long           1  
113  19  interchain     0  
114  19  total          4  
115  20  intraresidue   0  
116  20  sequential     0  
117  20  medium         4  
118  20  long           3  
119  20  interchain     0  
120  20  total          7  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue   0  
  2   1  sequential     3  
  3   1  medium         1  
  4   1  long           6  
  5   1  interchain     0  
  6   1  total         10  
  7   2  intraresidue   0  
  8   2  sequential     4  
  9   2  medium         2  
 10   2  long           2  
 11   2  interchain     0  
 12   2  total          8  
 13   3  intraresidue   0  
 14   3  sequential     1  
 15   3  medium         2  
 16   3  long           2  
 17   3  interchain     0  
 18   3  total          5  
 19   4  intraresidue   0  
 20   4  sequential     0  
 21   4  medium         0  
 22   4  long           0  
 23   4  interchain     0  
 24   4  total          0  
 25   5  intraresidue   0  
 26   5  sequential     0  
 27   5  medium         0  
 28   5  long           2  
 29   5  interchain     0  
 30   5  total          2  
 31   6  intraresidue   1  
 32   6  sequential     1  
 33   6  medium         1  
 34   6  long           0  
 35   6  interchain     0  
 36   6  total          3  
 37   7  intraresidue   0  
 38   7  sequential     0  
 39   7  medium         0  
 40   7  long           0  
 41   7  interchain     0  
 42   7  total          0  
 43   8  intraresidue   0  
 44   8  sequential     0  
 45   8  medium         1  
 46   8  long           0  
 47   8  interchain     0  
 48   8  total          1  
 49   9  intraresidue   0  
 50   9  sequential     0  
 51   9  medium         0  
 52   9  long           0  
 53   9  interchain     0  
 54   9  total          0  
 55  10  intraresidue   0  
 56  10  sequential     0  
 57  10  medium         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         1  
 88  15  long           0  
 89  15  interchain     0  
 90  15  total          1  
 91  16  intraresidue   0  
 92  16  sequential     0  
 93  16  medium         0  
 94  16  long           0  
 95  16  interchain     0  
 96  16  total          0  
 97  17  intraresidue   0  
 98  17  sequential     0  
 99  17  medium         0  
100  17  long           0  
101  17  interchain     0  
102  17  total          0  
103  18  intraresidue   0  
104  18  sequential     0  
105  18  medium         1  
106  18  long           0  
107  18  interchain     0  
108  18  total          1  
109  19  intraresidue   0  
110  19  sequential     0  
111  19  medium         0  
112  19  long           0  
113  19  interchain     0  
114  19  total          0  
115  20  intraresidue   0  
116  20  sequential     0  
117  20  medium         0  
118  20  long           0  
119  20  interchain     0  
120  20  total          0  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2  4.5  
2  0.2-0.5  0.5  0.9  
3  >0.5     0.6  0.1  
#
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  505  1  .  A   92  CYS  ?     1  A   7  HB3   A  .   95  HIS  10  A  1  ?     HB3  18  0.18  0.18  0.04  
 2  186  1  .  A   92  CYS  ?     1  A   7  HB3   A  .   96  GLY  11  A  1  ?     H    15  0.15  0.13  0.03  
 3  229  1  .  A  103  CYS  ?     1  A  18  H     A  .  107  GLY  22  A  1  ?     HA2   8  0.14  0.15  0.02  
 4  692  1  .  A  119  LYS  ?     1  A  34  HA    A  .  119  LYS  34  A  1  ?     HD2   6  0.38  0.38  0.14  
 5  692  1  .  A  119  LYS  ?     1  A  34  HA    A  .  119  LYS  34  A  1  ?     HD3   6  0.38  0.38  0.14  
 6  339  1  .  A  112  TRP  ?     1  A  27  HE1   A  .  116  GLN  31  A  1  ?     HA    6  0.15  0.14  0.03  
 7  478  1  .  A   99  LEU  ?     1  A  14  HD11  A  .  100  HIS  15  A  1  ?     HB2   6  0.13  0.12  0.03  
 8  478  1  .  A   99  LEU  ?     1  A  14  HD12  A  .  100  HIS  15  A  1  ?     HB2   6  0.13  0.12  0.03  
 9  478  1  .  A   99  LEU  ?     1  A  14  HD13  A  .  100  HIS  15  A  1  ?     HB2   6  0.13  0.12  0.03  
10  439  1  .  A  101  LEU  ?     1  A  16  HB3   A  .  125  MET  40  A  1  ?     HE1   5  0.13  0.12  0.02  
11  439  1  .  A  101  LEU  ?     1  A  16  HB3   A  .  125  MET  40  A  1  ?     HE2   5  0.13  0.12  0.02  
12  439  1  .  A  101  LEU  ?     1  A  16  HB3   A  .  125  MET  40  A  1  ?     HE3   5  0.13  0.12  0.02  
13  498  1  .  A   91  ARG  ?     1  A   6  HA    A  .   99  LEU  14  A  1  ?     HB2   5  0.13  0.13  0.02  
14  467  1  .  A   91  ARG  ?     1  A   6  HG2   A  .   98  ARG  13  A  1  ?     HG2   3  0.25  0.24  0.02  
15  467  1  .  A   91  ARG  ?     1  A   6  HG2   A  .   98  ARG  13  A  1  ?     HG3   3  0.25  0.24  0.02  
16  467  1  .  A   91  ARG  ?     1  A   6  HG3   A  .   98  ARG  13  A  1  ?     HG2   3  0.25  0.24  0.02  
17  467  1  .  A   91  ARG  ?     1  A   6  HG3   A  .   98  ARG  13  A  1  ?     HG3   3  0.25  0.24  0.02  
18  544  1  .  A  103  CYS  ?     1  A  18  HB2   A  .  106  ASP  21  A  1  ?     HB3   3  0.24  0.18  0.13  
19   40  1  .  A  123  HIS  ?     1  A  38  H     A  .  125  MET  40  A  1  ?     H     3  0.14  0.14  0.01  
20  283  1  .  A   99  LEU  ?     1  A  14  H     A  .  100  HIS  15  A  1  ?     HB2   3  0.14  0.13  0.02  
21  501  1  .  A   91  ARG  ?     1  A   6  HB2   A  .   96  GLY  11  A  1  ?     HA2   3  0.12  0.12  0.01  
22  155  1  .  A   98  ARG  ?     1  A  13  HG2   A  .   99  LEU  14  A  1  ?     H     2  0.21  0.21  0.02  
23  155  1  .  A   98  ARG  ?     1  A  13  HG3   A  .   99  LEU  14  A  1  ?     H     2  0.21  0.21  0.02  
24  495  1  .  A   90  GLU  ?     1  A   5  HA    A  .   91  ARG   6  A  1  ?     HG2   2  0.18  0.18  0.01  
25  495  1  .  A   90  GLU  ?     1  A   5  HA    A  .   91  ARG   6  A  1  ?     HG3   2  0.18  0.18  0.01  
26  578  1  .  A  126  VAL  ?     1  A  41  HG21  A  .  127  PRO  42  A  1  ?     HG3   2  0.16  0.16  0.01  
27  578  1  .  A  126  VAL  ?     1  A  41  HG22  A  .  127  PRO  42  A  1  ?     HG3   2  0.16  0.16  0.01  
28  578  1  .  A  126  VAL  ?     1  A  41  HG23  A  .  127  PRO  42  A  1  ?     HG3   2  0.16  0.16  0.01  
29  341  1  .  A  112  TRP  ?     1  A  27  HD1   A  .  115  ALA  30  A  1  ?     H     2  0.15  0.15  0.03  
30  596  1  .  A  119  LYS  ?     1  A  34  HE2   A  .  120  HIS  35  A  1  ?     HE1   2  0.12  0.12  0.01  
31  596  1  .  A  119  LYS  ?     1  A  34  HE3   A  .  120  HIS  35  A  1  ?     HE1   2  0.12  0.12  0.01  
32  173  1  .  A   92  CYS  ?     1  A   7  HB2   A  .   97  GLU  12  A  1  ?     H     2  0.12  0.12  0.01  
33  547  1  .  A  103  CYS  ?     1  A  18  HB3   A  .  107  GLY  22  A  1  ?     HA2   2  0.12  0.12  0.00  
34  397  1  .  A  102  PHE  ?     1  A  17  HB3   A  .  128  LEU  43  A  1  ?     HA    2  0.11  0.11  0.00  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1  692  1  494  494  HA    HD2   0.58  
  2  692  1  494  494  HA    HD3   0.58  
  3  692  1  540  540  HA    HD2   0.48  
  4  692  1  540  540  HA    HD3   0.48  
  5  544  1  478  481  HB2   HB3   0.42  
  6  692  1  172  172  HA    HD2   0.40  
  7  692  1  172  172  HA    HD3   0.40  
  8  692  1  310  310  HA    HD2   0.36  
  9  692  1  310  310  HA    HD3   0.36  
 10  692  1  816  816  HA    HD2   0.36  
 11  692  1  816  816  HA    HD3   0.36  
 12  467  1  512  519  HG2   HG2   0.27  
 13  467  1  512  519  HG2   HG3   0.27  
 14  467  1  512  519  HG3   HG2   0.27  
 15  467  1  512  519  HG3   HG3   0.27  
 16  505  1   53   56  HB3   HB3   0.26  
 17    4  1   44   45  HA    H     0.26  
 18  467  1  696  703  HG2   HG2   0.24  
 19  467  1  696  703  HG2   HG3   0.24  
 20  467  1  696  703  HG3   HG2   0.24  
 21  467  1  696  703  HG3   HG3   0.24  
 22  505  1   99  102  HB3   HB3   0.23  
 23  467  1  236  243  HG2   HG2   0.23  
 24  467  1  236  243  HG2   HG3   0.23  
 25  467  1  236  243  HG3   HG2   0.23  
 26  467  1  236  243  HG3   HG3   0.23  
 27  155  1  565  566  HG2   H     0.23  
 28  155  1  565  566  HG3   H     0.23  
 29  623  1  614  615  HD11  HA    0.22  
 30  623  1  614  615  HD12  HA    0.22  
 31  623  1  614  615  HD13  HA    0.22  
 32  623  1  614  615  HD21  HA    0.22  
 33  623  1  614  615  HD22  HA    0.22  
 34  623  1  614  615  HD23  HA    0.22  
 35  505  1  651  654  HB3   HB3   0.22  
 36  505  1  789  792  HB3   HB3   0.22  
 37  474  1  787  796  HB3   HD21  0.22  
 38  474  1  787  796  HB3   HD22  0.22  
 39  474  1  787  796  HB3   HD23  0.22  
 40  186  1  697  701  HB3   H     0.22  
 41  339  1   73   77  HE1   HA    0.21  
 42  505  1  467  470  HB3   HB3   0.20  
 43  505  1  513  516  HB3   HB3   0.20  
 44  505  1  559  562  HB3   HB3   0.20  
 45  469  1  373  382  HB2   HD21  0.20  
 46  469  1  373  382  HB2   HD22  0.20  
 47  469  1  373  382  HB2   HD23  0.20  
 48  505  1  375  378  HB3   HB3   0.19  
 49  495  1  189  190  HA    HG2   0.19  
 50  495  1  189  190  HA    HG3   0.19  
 51  186  1  329  333  HB3   H     0.19  
 52  155  1  335  336  HG2   H     0.19  
 53  155  1  335  336  HG3   H     0.19  
 54  133  1  569  592  H     HA    0.19  
 55  544  1  892  895  HB2   HB3   0.18  
 56  505  1  329  332  HB3   HB3   0.18  
 57  505  1  743  746  HB3   HB3   0.18  
 58  505  1  835  838  HB3   HB3   0.18  
 59  495  1    5    6  HA    HG2   0.18  
 60  495  1    5    6  HA    HG3   0.18  
 61  478  1  566  567  HD11  HB2   0.18  
 62  478  1  566  567  HD12  HB2   0.18  
 63  478  1  566  567  HD13  HB2   0.18  
 64  186  1  559  563  HB3   H     0.18  
 65  578  1  639  640  HG21  HG3   0.17  
 66  578  1  639  640  HG22  HG3   0.17  
 67  578  1  639  640  HG23  HG3   0.17  
 68  505  1  421  424  HB3   HB3   0.17  
 69  341  1  763  766  HD1   H     0.17  
 70  283  1  704  705  H     HB2   0.17  
 71  186  1  283  287  HB3   H     0.17  
 72  186  1  375  379  HB3   H     0.17  
 73   87  1  713  714  HE2   H     0.16  
 74   87  1  713  714  HE3   H     0.16  
 75  540  1  615  641  HB2   HA    0.16  
 76  478  1  336  337  HD11  HB2   0.16  
 77  478  1  336  337  HD12  HB2   0.16  
 78  478  1  336  337  HD13  HB2   0.16  
 79  439  1  476  500  HB3   HE1   0.16  
 80  439  1  476  500  HB3   HE2   0.16  
 81  439  1  476  500  HB3   HE3   0.16  
 82  339  1  671  675  HE1   HA    0.16  
 83  229  1  110  114  H     HA2   0.16  
 84  186  1   99  103  HB3   H     0.16  
 85  578  1  685  686  HG21  HG3   0.15  
 86  578  1  685  686  HG22  HG3   0.15  
 87  578  1  685  686  HG23  HG3   0.15  
 88  505  1  145  148  HB3   HB3   0.15  
 89  498  1  374  382  HA    HB2   0.15  
 90   40  1  176  178  H     H     0.15  
 91  229  1   18   22  H     HA2   0.15  
 92  229  1  708  712  H     HA2   0.15  
 93  229  1  846  850  H     HA2   0.15  
 94  229  1  892  896  H     HA2   0.15  
 95  186  1  237  241  HB3   H     0.15  
 96  505  1  881  884  HB3   HB3   0.14  
 97  498  1    6   14  HA    HB2   0.14  
 98  439  1  614  638  HB3   HE1   0.14  
 99  439  1  614  638  HB3   HE2   0.14  
100  439  1  614  638  HB3   HE3   0.14  
101   40  1  360  362  H     H     0.14  
102  339  1  717  721  HE1   HA    0.14  
103  692  1  770  770  HA    HD2   0.13  
104  692  1  770  770  HA    HD3   0.13  
105  596  1  310  311  HE2   HE1   0.13  
106  596  1  310  311  HE3   HE1   0.13  
107  505  1  191  194  HB3   HB3   0.13  
108  501  1  282  287  HB2   HA2   0.13  
109  498  1  604  612  HA    HB2   0.13  
110   40  1  314  316  H     H     0.13  
111  339  1  349  353  HE1   HA    0.13  
112  339  1  487  491  HE1   HA    0.13  
113  339  1  625  629  HE1   HA    0.13  
114  283  1   60   61  H     HB2   0.13  
115  186  1    7   11  HB3   H     0.13  
116  186  1  421  425  HB3   H     0.13  
117  186  1  467  471  HB3   H     0.13  
118  186  1  513  517  HB3   H     0.13  
119  186  1  743  747  HB3   H     0.13  
120  186  1  881  885  HB3   H     0.13  
121  173  1  145  150  HB2   H     0.13  
122  596  1   34   35  HE2   HE1   0.12  
123  596  1   34   35  HE3   HE1   0.12  
124  547  1   18   22  HB3   HA2   0.12  
125  547  1  432  436  HB3   HA2   0.12  
126  505  1  237  240  HB3   HB3   0.12  
127  505  1  283  286  HB3   HB3   0.12  
128  505  1  605  608  HB3   HB3   0.12  
129  501  1  236  241  HB2   HA2   0.12  
130  478  1   14   15  HD11  HB2   0.12  
131  478  1   14   15  HD12  HB2   0.12  
132  478  1   14   15  HD13  HB2   0.12  
133  478  1  750  751  HD11  HB2   0.12  
134  478  1  750  751  HD12  HB2   0.12  
135  478  1  750  751  HD13  HB2   0.12  
136  439  1  890  914  HB3   HE1   0.12  
137  439  1  890  914  HB3   HE2   0.12  
138  439  1  890  914  HB3   HE3   0.12  
139  341  1  211  214  HD1   H     0.12  
140  287  1  891  917  H     HB2   0.12  
141  283  1  842  843  H     HB2   0.12  
142  229  1  248  252  H     HA2   0.12  
143  186  1  789  793  HB3   H     0.12  
144  544  1   18   21  HB2   HB3   0.11  
145  501  1  880  885  HB2   HA2   0.11  
146  498  1  144  152  HA    HB2   0.11  
147  498  1  742  750  HA    HB2   0.11  
148  478  1  428  429  HD11  HB2   0.11  
149  478  1  428  429  HD12  HB2   0.11  
150  478  1  428  429  HD13  HB2   0.11  
151  478  1  796  797  HD11  HB2   0.11  
152  478  1  796  797  HD12  HB2   0.11  
153  478  1  796  797  HD13  HB2   0.11  
154  439  1   16   40  HB3   HE1   0.11  
155  439  1   16   40  HB3   HE2   0.11  
156  439  1   16   40  HB3   HE3   0.11  
157  439  1  246  270  HB3   HE1   0.11  
158  439  1  246  270  HB3   HE2   0.11  
159  439  1  246  270  HB3   HE3   0.11  
160  397  1  201  227  HB3   HA    0.11  
161  397  1  615  641  HB3   HA    0.11  
162   39  1  360  362  H     HE1   0.11  
163   39  1  360  362  H     HE2   0.11  
164   39  1  360  362  H     HE3   0.11  
165  364  1   16   42  HA    HA    0.11  
166  229  1  570  574  H     HA2   0.11  
167  229  1  662  666  H     HA2   0.11  
168  186  1   53   57  HB3   H     0.11  
169  173  1  835  840  HB2   H     0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PSI    29   50.0  1  1.7  3.4  11  19.0  37.9  
2  PHI    29   50.0  1  1.7  3.4   5   8.6  17.2  
3  Total  58  100.0  2  3.4  3.4  16  27.6  27.6  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  4.90  3.34  2.90  1.41  
 2   2  8.20  3.74  1.80  2.84  
 3   3  7.70  3.80  2.80  2.28  
 4   4  8.50  3.76  3.00  2.76  
 5   5  7.70  3.18  2.15  2.22  
 6   6  6.50  4.20  4.55  2.16  
 7   7  7.20  5.60  6.80  1.99  
 8   8  7.50  4.42  3.50  2.10  
 9   9  8.20  3.71  2.90  2.12  
10  10  6.10  5.50  5.50  0.60  
11  11  5.40  2.94  1.70  1.82  
12  12  4.70  2.33  2.00  1.15  
13  13  6.50  3.50  2.75  1.93  
14  14  7.00  3.35  3.00  2.01  
15  15  7.70  3.68  2.30  2.27  
16  16  6.60  3.97  3.65  1.91  
17  17  6.70  3.40  2.60  2.06  
18  18  3.40  2.17  2.05  0.82  
19  19  6.80  3.03  1.30  2.56  
20  20  6.20  2.69  2.10  1.60  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PSI    4  
 2   1  PHI    1  
 3   1  Total  5  
 4   2  PSI    4  
 5   2  PHI    1  
 6   2  Total  5  
 7   3  PSI    4  
 8   3  PHI    1  
 9   3  Total  5  
10   4  PSI    3  
11   4  PHI    2  
12   4  Total  5  
13   5  PSI    6  
14   5  PHI    2  
15   5  Total  8  
16   6  PSI    3  
17   6  PHI    1  
18   6  Total  4  
19   7  PSI    2  
20   7  PHI    1  
21   7  Total  3  
22   8  PSI    4  
23   8  PHI    1  
24   8  Total  5  
25   9  PSI    8  
26   9  PHI    1  
27   9  Total  9  
28  10  PSI    1  
29  10  PHI    1  
30  10  Total  2  
31  11  PSI    2  
32  11  PHI    3  
33  11  Total  5  
34  12  PSI    6  
35  12  PHI    1  
36  12  Total  7  
37  13  PSI    5  
38  13  PHI    1  
39  13  Total  6  
40  14  PSI    5  
41  14  PHI    1  
42  14  Total  6  
43  15  PSI    4  
44  15  PHI    1  
45  15  Total  5  
46  16  PSI    3  
47  16  PHI    1  
48  16  Total  4  
49  17  PSI    5  
50  17  PHI    2  
51  17  Total  7  
52  18  PSI    5  
53  18  PHI    1  
54  18  Total  6  
55  19  PSI    5  
56  19  PHI    1  
57  19  Total  6  
58  20  PSI    5  
59  20  PHI    2  
60  20  Total  7  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PSI    0  
 2   1  PHI    2  
 3   1  Total  2  
 4   2  PSI    3  
 5   2  PHI    2  
 6   2  Total  5  
 7   3  PSI    3  
 8   3  PHI    0  
 9   3  Total  3  
10   4  PSI    0  
11   4  PHI    0  
12   4  Total  0  
13   5  PSI    0  
14   5  PHI    0  
15   5  Total  0  
16   6  PSI    0  
17   6  PHI    0  
18   6  Total  0  
19   7  PSI    0  
20   7  PHI    0  
21   7  Total  0  
22   8  PSI    0  
23   8  PHI    0  
24   8  Total  0  
25   9  PSI    0  
26   9  PHI    0  
27   9  Total  0  
28  10  PSI    1  
29  10  PHI    0  
30  10  Total  1  
31  11  PSI    1  
32  11  PHI    0  
33  11  Total  1  
34  12  PSI    0  
35  12  PHI    0  
36  12  Total  0  
37  13  PSI    1  
38  13  PHI    0  
39  13  Total  1  
40  14  PSI    0  
41  14  PHI    0  
42  14  Total  0  
43  15  PSI    1  
44  15  PHI    0  
45  15  Total  1  
46  16  PSI    0  
47  16  PHI    0  
48  16  Total  0  
49  17  PSI    0  
50  17  PHI    0  
51  17  Total  0  
52  18  PSI    0  
53  18  PHI    0  
54  18  Total  0  
55  19  PSI    0  
56  19  PHI    0  
57  19  Total  0  
58  20  PSI    1  
59  20  PHI    1  
60  20  Total  2  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   8.5   5.5   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
 1  18  1  .  A  100  HIS  ?     1  A  15  N  A  .  100  HIS  15  A  1  ?     CA  .  A  100  HIS  ?     1  A  15  C   A  .  101  LEU  16  A  1  ?     N  20  6.64  6.65  1.28  
 2  19  1  .  A  100  HIS  ?     1  A  15  C  A  .  101  LEU  16  A  1  ?     N   .  A  101  LEU  ?     1  A  16  CA  A  .  101  LEU  16  A  1  ?     C  20  5.30  5.00  1.12  
 3   4  1  .  A   92  CYS  ?     1  A   7  N  A  .   92  CYS   7  A  1  ?     CA  .  A   92  CYS  ?     1  A   7  C   A  .   93  ALA   8  A  1  ?     N  15  2.20  2.00  0.78  
 4  10  1  .  A   95  HIS  ?     1  A  10  N  A  .   95  HIS  10  A  1  ?     CA  .  A   95  HIS  ?     1  A  10  C   A  .   96  GLY  11  A  1  ?     N  13  1.95  1.80  0.66  
 5  38  1  .  A  110  LEU  ?     1  A  25  N  A  .  110  LEU  25  A  1  ?     CA  .  A  110  LEU  ?     1  A  25  C   A  .  111  CYS  26  A  1  ?     N  11  1.94  1.80  0.66  
 6  36  1  .  A  109  ALA  ?     1  A  24  N  A  .  109  ALA  24  A  1  ?     CA  .  A  109  ALA  ?     1  A  24  C   A  .  110  LEU  25  A  1  ?     N  10  2.06  2.10  0.45  
 7  52  1  .  A  124  ALA  ?     1  A  39  N  A  .  124  ALA  39  A  1  ?     CA  .  A  124  ALA  ?     1  A  39  C   A  .  125  MET  40  A  1  ?     N   3  2.83  2.90  0.74  
 8  30  1  .  A  106  ASP  ?     1  A  21  N  A  .  106  ASP  21  A  1  ?     CA  .  A  106  ASP  ?     1  A  21  C   A  .  107  GLY  22  A  1  ?     N   3  2.10  2.10  0.08  
 9  50  1  .  A  117  SER  ?     1  A  32  N  A  .  117  SER  32  A  1  ?     CA  .  A  117  SER  ?     1  A  32  C   A  .  118  ARG  33  A  1  ?     N   3  1.90  1.50  0.86  
10  54  1  .  A  125  MET  ?     1  A  40  N  A  .  125  MET  40  A  1  ?     CA  .  A  125  MET  ?     1  A  40  C   A  .  126  VAL  41  A  1  ?     N   2  2.95  2.95  0.35  
11  11  1  .  A   95  HIS  ?     1  A  10  C  A  .   96  GLY  11  A  1  ?     N   .  A   96  GLY  ?     1  A  11  CA  A  .   96  GLY  11  A  1  ?     C   2  1.50  1.50  0.10  
12  58  1  .  A  128  LEU  ?     1  A  43  N  A  .  128  LEU  43  A  1  ?     CA  .  A  128  LEU  ?     1  A  43  C   A  .  129  GLU  44  A  1  ?     N   2  1.40  1.40  0.10  
13  25  1  .  A  103  CYS  ?     1  A  18  C  A  .  104  GLU  19  A  1  ?     N   .  A  104  GLU  ?     1  A  19  CA  A  .  104  GLU  19  A  1  ?     C   2  1.25  1.25  0.15  
14  12  1  .  A   96  GLY  ?     1  A  11  N  A  .   96  GLY  11  A  1  ?     CA  .  A   96  GLY  ?     1  A  11  C   A  .   97  GLU  12  A  1  ?     N   2  1.20  1.20  0.00  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
  1  18  1  153  153  153  154  N  CA  C   N  8.50  
  2  18  1   61   61   61   62  N  CA  C   N  8.20  
  3  18  1  383  383  383  384  N  CA  C   N  8.20  
  4  18  1  107  107  107  108  N  CA  C   N  7.70  
  5  18  1  199  199  199  200  N  CA  C   N  7.70  
  6  18  1  659  659  659  660  N  CA  C   N  7.70  
  7  18  1  337  337  337  338  N  CA  C   N  7.50  
  8  18  1  291  291  291  292  N  CA  C   N  7.20  
  9  18  1  613  613  613  614  N  CA  C   N  7.00  
 10  19  1  291  292  292  292  C  N   CA  C  6.80  
 11  19  1  843  844  844  844  C  N   CA  C  6.80  
 12  19  1  383  384  384  384  C  N   CA  C  6.70  
 13  18  1  751  751  751  752  N  CA  C   N  6.70  
 14  18  1  705  705  705  706  N  CA  C   N  6.60  
 15  19  1  245  246  246  246  C  N   CA  C  6.50  
 16  18  1  567  567  567  568  N  CA  C   N  6.50  
 17  18  1  843  843  843  844  N  CA  C   N  6.50  
 18  19  1  751  752  752  752  C  N   CA  C  6.40  
 19  19  1  337  338  338  338  C  N   CA  C  6.20  
 20  18  1  889  889  889  890  N  CA  C   N  6.20  
 21  18  1  429  429  429  430  N  CA  C   N  6.10  
 22  19  1   61   62   62   62  C  N   CA  C  6.00  
 23  19  1  199  200  200  200  C  N   CA  C  6.00  
 24  18  1  245  245  245  246  N  CA  C   N  6.00  
 25  19  1  567  568  568  568  C  N   CA  C  5.70  
 26  18  1  475  475  475  476  N  CA  C   N  5.40  
 27  19  1  107  108  108  108  C  N   CA  C  5.00  
 28  19  1  153  154  154  154  C  N   CA  C  5.00  
 29  19  1  705  706  706  706  C  N   CA  C  5.00  
 30  19  1   15   16   16   16  C  N   CA  C  4.90  
 31  19  1  429  430  430  430  C  N   CA  C  4.90  
 32  19  1  475  476  476  476  C  N   CA  C  4.90  
 33  18  1   15   15   15   16  N  CA  C   N  4.90  
 34  19  1  659  660  660  660  C  N   CA  C  4.70  
 35  18  1  521  521  521  522  N  CA  C   N  4.70  
 36  19  1  613  614  614  614  C  N   CA  C  4.60  
 37  52  1  407  407  407  408  N  CA  C   N  3.70  
 38  19  1  889  890  890  890  C  N   CA  C  3.70  
 39   4  1  329  329  329  330  N  CA  C   N  3.50  
 40  18  1  797  797  797  798  N  CA  C   N  3.40  
 41  54  1  408  408  408  409  N  CA  C   N  3.30  
 42  19  1  521  522  522  522  C  N   CA  C  3.30  
 43  10  1  608  608  608  609  N  CA  C   N  3.30  
 44  50  1  354  354  354  355  N  CA  C   N  3.10  
 45   4  1  237  237  237  238  N  CA  C   N  3.10  
 46   4  1  743  743  743  744  N  CA  C   N  3.10  
 47   4  1  145  145  145  146  N  CA  C   N  3.00  
 48  52  1  591  591  591  592  N  CA  C   N  2.90  
 49   4  1    7    7    7    8  N  CA  C   N  2.90  
 50   4  1  375  375  375  376  N  CA  C   N  2.90  
 51  19  1  797  798  798  798  C  N   CA  C  2.90  
 52  10  1  194  194  194  195  N  CA  C   N  2.90  
 53  38  1   25   25   25   26  N  CA  C   N  2.80  
 54  38  1  301  301  301  302  N  CA  C   N  2.80  
 55  36  1  116  116  116  117  N  CA  C   N  2.80  
 56  38  1  623  623  623  624  N  CA  C   N  2.70  
 57  10  1  378  378  378  379  N  CA  C   N  2.70  
 58  54  1  592  592  592  593  N  CA  C   N  2.60  
 59  38  1  761  761  761  762  N  CA  C   N  2.60  
 60  36  1  806  806  806  807  N  CA  C   N  2.50  
 61  36  1  668  668  668  669  N  CA  C   N  2.30  
 62  36  1  714  714  714  715  N  CA  C   N  2.30  
 63   4  1  191  191  191  192  N  CA  C   N  2.20  
 64  36  1  392  392  392  393  N  CA  C   N  2.20  
 65  30  1  389  389  389  390  N  CA  C   N  2.20  
 66  10  1  884  884  884  885  N  CA  C   N  2.20  
 67  38  1  899  899  899  900  N  CA  C   N  2.10  
 68  30  1  205  205  205  206  N  CA  C   N  2.10  
 69  10  1  516  516  516  517  N  CA  C   N  2.10  
 70  10  1  562  562  562  563  N  CA  C   N  2.10  
 71   4  1  697  697  697  698  N  CA  C   N  2.00  
 72  36  1  208  208  208  209  N  CA  C   N  2.00  
 73  36  1  760  760  760  761  N  CA  C   N  2.00  
 74  30  1  527  527  527  528  N  CA  C   N  2.00  
 75  52  1  683  683  683  684  N  CA  C   N  1.90  
 76   4  1   99   99   99  100  N  CA  C   N  1.80  
 77  38  1   71   71   71   72  N  CA  C   N  1.80  
 78  36  1  346  346  346  347  N  CA  C   N  1.80  
 79  10  1  654  654  654  655  N  CA  C   N  1.80  
 80   4  1  467  467  467  468  N  CA  C   N  1.70  
 81  38  1  117  117  117  118  N  CA  C   N  1.70  
 82  47  1  904  905  905  905  C  N   CA  C  1.60  
 83  11  1  746  747  747  747  C  N   CA  C  1.60  
 84  10  1   56   56   56   57  N  CA  C   N  1.60  
 85  10  1  792  792  792  793  N  CA  C   N  1.60  
 86  58  1  411  411  411  412  N  CA  C   N  1.50  
 87  50  1  906  906  906  907  N  CA  C   N  1.50  
 88   4  1  789  789  789  790  N  CA  C   N  1.50  
 89   4  1  881  881  881  882  N  CA  C   N  1.50  
 90  36  1  530  530  530  531  N  CA  C   N  1.50  
 91   4  1  835  835  835  836  N  CA  C   N  1.40  
 92  38  1  531  531  531  532  N  CA  C   N  1.40  
 93  25  1  478  479  479  479  C  N   CA  C  1.40  
 94  11  1  194  195  195  195  C  N   CA  C  1.40  
 95  10  1  746  746  746  747  N  CA  C   N  1.40  
 96  58  1  641  641  641  642  N  CA  C   N  1.30  
 97  43  1  488  489  489  489  C  N   CA  C  1.30  
 98   4  1  513  513  513  514  N  CA  C   N  1.30  
 99  38  1  577  577  577  578  N  CA  C   N  1.20  
100  36  1  852  852  852  853  N  CA  C   N  1.20  
101  12  1  149  149  149  150  N  CA  C   N  1.20  
102  12  1  609  609  609  610  N  CA  C   N  1.20  
103  10  1   10   10   10   11  N  CA  C   N  1.20  
104  10  1  240  240  240  241  N  CA  C   N  1.20  
105  10  1  838  838  838  839  N  CA  C   N  1.20  
106  50  1  216  216  216  217  N  CA  C   N  1.10  
107   4  1   53   53   53   54  N  CA  C   N  1.10  
108  38  1  807  807  807  808  N  CA  C   N  1.10  
109  38  1  853  853  853  854  N  CA  C   N  1.10  
110  25  1  156  157  157  157  C  N   CA  C  1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  mogul                  unknown                                                               Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
