data_2XK0

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2XK0       
PDBE  EBI-44400  
BMRB  17050      
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2XK0
_pdbx_vrpt_summary.PDB_deposition_date         2010-07-07
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:19:11
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "POLYCOMB PROTEIN PCL"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   33.22  158937  ?     ?     
2  2  1   56.10   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   31.12  154315  ?     ?     
6  2  3   79.97   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   35.65  
 4  6  3  A   1  1  A   35.65  
 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   35.65  
 8  6  3  A   2  1  A   35.65  
 9  3  2  A   3  1  A    2.24  
10  4  2  A   3  1  A    2.24  
11  5  3  A   3  1  A   58.54  
12  6  3  A   3  1  A   58.54  
13  3  2  A   4  1  A   10.08  
14  4  2  A   4  1  A   10.08  
15  5  3  A   4  1  A   35.65  
16  6  3  A   4  1  A   35.65  
17  3  2  A   5  1  A   10.08  
18  4  2  A   5  1  A   10.08  
19  5  3  A   5  1  A   58.54  
20  6  3  A   5  1  A   58.54  
21  3  2  A   6  1  A    4.13  
22  4  2  A   6  1  A    4.13  
23  5  3  A   6  1  A   35.65  
24  6  3  A   6  1  A   35.65  
25  3  2  A   7  1  A    2.24  
26  4  2  A   7  1  A    2.24  
27  5  3  A   7  1  A   35.65  
28  6  3  A   7  1  A   35.65  
29  3  2  A   8  1  A   10.08  
30  4  2  A   8  1  A   10.08  
31  5  3  A   8  1  A   35.65  
32  6  3  A   8  1  A   35.65  
33  3  2  A   9  1  A   10.08  
34  4  2  A   9  1  A   10.08  
35  5  3  A   9  1  A   22.41  
36  6  3  A   9  1  A   22.41  
37  3  2  A  10  1  A   10.08  
38  4  2  A  10  1  A   10.08  
39  5  3  A  10  1  A   14.79  
40  6  3  A  10  1  A   14.79  
#
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  0.79  545  738  
 2   2  1  A  A  0.66  0.79  545  738  
 3   3  1  A  A  0.65  0.74  545  738  
 4   4  1  A  A  0.64  0.73  545  738  
 5   5  1  A  A  0.66  0.77  545  738  
 6   6  1  A  A  0.67  0.79  545  738  
 7   7  1  A  A  0.67  0.80  545  738  
 8   8  1  A  A  0.62  0.74  545  738  
 9   9  1  A  A  0.67  0.76  545  738  
10  10  1  A  A  0.64  0.79  545  738  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.94
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   4.47
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       3.68
_pdbx_vrpt_summary_geometry.clashscore                                 9.10
_pdbx_vrpt_summary_geometry.clashscore_full_length                     7.88
_pdbx_vrpt_summary_geometry.num_H_reduce                               5070
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             5450
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.77
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            7380
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.65
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            3
_pdbx_vrpt_summary_nmr.medoid_model                             3
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                10
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              2
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              81.52
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  81.34
#
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   7  .  ?        ?  
  2   1  1  A   2  ALA  A   8  .  ?        ?  
  3   1  1  A   3  MET  A   9  .  ?        ?  
  4   1  1  A   4  ALA  A  10  .  ?        ?  
  5   1  1  A   5  PRO  A  11  .  ?        3  
  6   1  1  A   6  PRO  A  12  .  ?        ?  
  7   1  1  A   7  VAL  A  13  .  ?        ?  
  8   1  1  A   8  ALA  A  14  .  ?        ?  
  9   1  1  A   9  ALA  A  15  .  ?        ?  
 10   1  1  A  10  PRO  A  16  .  ?        ?  
 11   1  1  A  11  SER  A  17  .  ?        ?  
 12   1  1  A  12  PRO  A  18  .  ?        3  
 13   1  1  A  13  ALA  A  19  .  ?        ?  
 14   1  1  A  14  VAL  A  20  .  ?        ?  
 15   1  1  A  15  THR  A  21  .  ?        1  
 16   1  1  A  16  TYR  A  22  .  ?        ?  
 17   1  1  A  17  ALA  A  23  .  ?        ?  
 18   1  1  A  18  LEU  A  24  .  ?        ?  
 19   1  1  A  19  GLN  A  25  .  ?        ?  
 20   1  1  A  20  GLU  A  26  .  ?        ?  
 21   1  1  A  21  ASP  A  27  .  ?        ?  
 22   1  1  A  22  VAL  A  28  .  ?        ?  
 23   1  1  A  23  PHE  A  29  .  ?        ?  
 24   1  1  A  24  ILE  A  30  .  ?        1  
 25   1  1  A  25  LYS  A  31  .  ?        1  
 26   1  1  A  26  CYS  A  32  .  ?        ?  
 27   1  1  A  27  ASN  A  33  .  ?        ?  
 28   1  1  A  28  ASP  A  34  .  ?        ?  
 29   1  1  A  29  GLY  A  35  .  ?        ?  
 30   1  1  A  30  ARG  A  36  .  ?        ?  
 31   1  1  A  31  PHE  A  37  .  ?        1  
 32   1  1  A  32  TYR  A  38  .  ?        ?  
 33   1  1  A  33  LEU  A  39  .  ?        ?  
 34   1  1  A  34  GLY  A  40  .  ?        ?  
 35   1  1  A  35  THR  A  41  .  ?        ?  
 36   1  1  A  36  ILE  A  42  .  ?        1  
 37   1  1  A  37  ILE  A  43  .  ?        2  
 38   1  1  A  38  ASP  A  44  .  ?        ?  
 39   1  1  A  39  GLN  A  45  .  ?        ?  
 40   1  1  A  40  THR  A  46  .  ?        ?  
 41   1  1  A  41  SER  A  47  .  ?        ?  
 42   1  1  A  42  ASP  A  48  .  ?        ?  
 43   1  1  A  43  GLN  A  49  .  ?        ?  
 44   1  1  A  44  TYR  A  50  .  ?        1  
 45   1  1  A  45  LEU  A  51  .  ?        1  
 46   1  1  A  46  ILE  A  52  .  ?        2  
 47   1  1  A  47  ARG  A  53  .  ?        1  
 48   1  1  A  48  PHE  A  54  .  ?        ?  
 49   1  1  A  49  ASP  A  55  .  ?        ?  
 50   1  1  A  50  ASP  A  56  .  ?        ?  
 51   1  1  A  51  GLN  A  57  .  ?        ?  
 52   1  1  A  52  SER  A  58  .  ?        ?  
 53   1  1  A  53  GLU  A  59  .  ?        1  
 54   1  1  A  54  GLN  A  60  .  ?        ?  
 55   1  1  A  55  TRP  A  61  .  ?        ?  
 56   1  1  A  56  CYS  A  62  .  ?        ?  
 57   1  1  A  57  GLU  A  63  .  ?        ?  
 58   1  1  A  58  PRO  A  64  .  ?        1  
 59   1  1  A  59  ASP  A  65  .  ?        ?  
 60   1  1  A  60  LYS  A  66  .  ?        1  
 61   1  1  A  61  LEU  A  67  .  ?        2  
 62   1  1  A  62  ARG  A  68  .  ?        1  
 63   1  1  A  63  LYS  A  69  .  ?        ?  
 64   1  1  A  64  LEU  A  70  .  ?        ?  
 65   1  1  A  65  GLY  A  71  .  ?        ?  
 66   1  1  A  66  GLY  A  72  .  ?        ?  
 67   1  1  A  67  GLY  A  73  .  ?        ?  
 68   1  1  A  68  SER  A  74  .  ?        ?  
 69   1  1  A  69  SER  A  75  .  ?        ?  
 70   2  1  A   1  GLY  A   7  .  ?        ?  
 71   2  1  A   2  ALA  A   8  .  ?        ?  
 72   2  1  A   3  MET  A   9  .  ?        ?  
 73   2  1  A   4  ALA  A  10  .  ?        ?  
 74   2  1  A   5  PRO  A  11  .  ?        1  
 75   2  1  A   6  PRO  A  12  .  ?        ?  
 76   2  1  A   7  VAL  A  13  .  ?        ?  
 77   2  1  A   8  ALA  A  14  .  ?        ?  
 78   2  1  A   9  ALA  A  15  .  ?        ?  
 79   2  1  A  10  PRO  A  16  .  ?        ?  
 80   2  1  A  11  SER  A  17  .  ?        ?  
 81   2  1  A  12  PRO  A  18  .  ?        1  
 82   2  1  A  13  ALA  A  19  .  ?        ?  
 83   2  1  A  14  VAL  A  20  .  ?        ?  
 84   2  1  A  15  THR  A  21  .  ?        ?  
 85   2  1  A  16  TYR  A  22  .  ?        ?  
 86   2  1  A  17  ALA  A  23  .  ?        ?  
 87   2  1  A  18  LEU  A  24  .  ?        ?  
 88   2  1  A  19  GLN  A  25  .  ?        ?  
 89   2  1  A  20  GLU  A  26  .  ?        ?  
 90   2  1  A  21  ASP  A  27  .  ?        ?  
 91   2  1  A  22  VAL  A  28  .  ?        ?  
 92   2  1  A  23  PHE  A  29  .  ?        ?  
 93   2  1  A  24  ILE  A  30  .  ?        ?  
 94   2  1  A  25  LYS  A  31  .  ?        ?  
 95   2  1  A  26  CYS  A  32  .  ?        ?  
 96   2  1  A  27  ASN  A  33  .  ?        ?  
 97   2  1  A  28  ASP  A  34  .  ?        ?  
 98   2  1  A  29  GLY  A  35  .  ?        ?  
 99   2  1  A  30  ARG  A  36  .  ?        ?  
100   2  1  A  31  PHE  A  37  .  ?        ?  
101   2  1  A  32  TYR  A  38  .  ?        ?  
102   2  1  A  33  LEU  A  39  .  ?        ?  
103   2  1  A  34  GLY  A  40  .  ?        ?  
104   2  1  A  35  THR  A  41  .  ?        ?  
105   2  1  A  36  ILE  A  42  .  ?        1  
106   2  1  A  37  ILE  A  43  .  ?        2  
107   2  1  A  38  ASP  A  44  .  ?        ?  
108   2  1  A  39  GLN  A  45  .  ?        ?  
109   2  1  A  40  THR  A  46  .  ?        ?  
110   2  1  A  41  SER  A  47  .  ?        ?  
111   2  1  A  42  ASP  A  48  .  ?        ?  
112   2  1  A  43  GLN  A  49  .  ?        ?  
113   2  1  A  44  TYR  A  50  .  ?        ?  
114   2  1  A  45  LEU  A  51  .  ?        1  
115   2  1  A  46  ILE  A  52  .  ?        1  
116   2  1  A  47  ARG  A  53  .  ?        1  
117   2  1  A  48  PHE  A  54  .  ?        ?  
118   2  1  A  49  ASP  A  55  .  ?        ?  
119   2  1  A  50  ASP  A  56  .  ?        ?  
120   2  1  A  51  GLN  A  57  .  ?        ?  
121   2  1  A  52  SER  A  58  .  ?        ?  
122   2  1  A  53  GLU  A  59  .  ?        ?  
123   2  1  A  54  GLN  A  60  .  ?        ?  
124   2  1  A  55  TRP  A  61  .  ?        ?  
125   2  1  A  56  CYS  A  62  .  ?        ?  
126   2  1  A  57  GLU  A  63  .  ?        ?  
127   2  1  A  58  PRO  A  64  .  ?        1  
128   2  1  A  59  ASP  A  65  .  ?        ?  
129   2  1  A  60  LYS  A  66  .  ?        ?  
130   2  1  A  61  LEU  A  67  .  ?        1  
131   2  1  A  62  ARG  A  68  .  ?        ?  
132   2  1  A  63  LYS  A  69  .  ?        1  
133   2  1  A  64  LEU  A  70  .  ?        ?  
134   2  1  A  65  GLY  A  71  .  ?        ?  
135   2  1  A  66  GLY  A  72  .  ?        1  
136   2  1  A  67  GLY  A  73  .  ?        ?  
137   2  1  A  68  SER  A  74  .  ?        ?  
138   2  1  A  69  SER  A  75  .  ?        ?  
139   3  1  A   1  GLY  A   7  .  ?        ?  
140   3  1  A   2  ALA  A   8  .  ?        ?  
141   3  1  A   3  MET  A   9  .  ?        ?  
142   3  1  A   4  ALA  A  10  .  ?        ?  
143   3  1  A   5  PRO  A  11  .  ?        ?  
144   3  1  A   6  PRO  A  12  .  ?        ?  
145   3  1  A   7  VAL  A  13  .  ?        ?  
146   3  1  A   8  ALA  A  14  .  ?        ?  
147   3  1  A   9  ALA  A  15  .  ?        ?  
148   3  1  A  10  PRO  A  16  .  ?        ?  
149   3  1  A  11  SER  A  17  .  ?        ?  
150   3  1  A  12  PRO  A  18  .  ?        ?  
151   3  1  A  13  ALA  A  19  .  ?        ?  
152   3  1  A  14  VAL  A  20  .  ?        ?  
153   3  1  A  15  THR  A  21  .  ?        ?  
154   3  1  A  16  TYR  A  22  .  ?        ?  
155   3  1  A  17  ALA  A  23  .  ?        ?  
156   3  1  A  18  LEU  A  24  .  ?        ?  
157   3  1  A  19  GLN  A  25  .  ?        ?  
158   3  1  A  20  GLU  A  26  .  ?        ?  
159   3  1  A  21  ASP  A  27  .  ?        ?  
160   3  1  A  22  VAL  A  28  .  ?        ?  
161   3  1  A  23  PHE  A  29  .  ?        1  
162   3  1  A  24  ILE  A  30  .  ?        ?  
163   3  1  A  25  LYS  A  31  .  ?        ?  
164   3  1  A  26  CYS  A  32  .  ?        ?  
165   3  1  A  27  ASN  A  33  .  ?        ?  
166   3  1  A  28  ASP  A  34  .  ?        1  
167   3  1  A  29  GLY  A  35  .  ?        ?  
168   3  1  A  30  ARG  A  36  .  ?        1  
169   3  1  A  31  PHE  A  37  .  ?        1  
170   3  1  A  32  TYR  A  38  .  ?        ?  
171   3  1  A  33  LEU  A  39  .  ?        ?  
172   3  1  A  34  GLY  A  40  .  ?        ?  
173   3  1  A  35  THR  A  41  .  ?        ?  
174   3  1  A  36  ILE  A  42  .  ?        1  
175   3  1  A  37  ILE  A  43  .  ?        2  
176   3  1  A  38  ASP  A  44  .  ?        ?  
177   3  1  A  39  GLN  A  45  .  ?        ?  
178   3  1  A  40  THR  A  46  .  ?        ?  
179   3  1  A  41  SER  A  47  .  ?        ?  
180   3  1  A  42  ASP  A  48  .  ?        ?  
181   3  1  A  43  GLN  A  49  .  ?        ?  
182   3  1  A  44  TYR  A  50  .  ?        ?  
183   3  1  A  45  LEU  A  51  .  ?        1  
184   3  1  A  46  ILE  A  52  .  ?        2  
185   3  1  A  47  ARG  A  53  .  ?        1  
186   3  1  A  48  PHE  A  54  .  ?        ?  
187   3  1  A  49  ASP  A  55  .  ?        ?  
188   3  1  A  50  ASP  A  56  .  ?        ?  
189   3  1  A  51  GLN  A  57  .  ?        ?  
190   3  1  A  52  SER  A  58  .  ?        ?  
191   3  1  A  53  GLU  A  59  .  ?        1  
192   3  1  A  54  GLN  A  60  .  ?        ?  
193   3  1  A  55  TRP  A  61  .  ?        ?  
194   3  1  A  56  CYS  A  62  .  ?        ?  
195   3  1  A  57  GLU  A  63  .  ?        ?  
196   3  1  A  58  PRO  A  64  .  ?        1  
197   3  1  A  59  ASP  A  65  .  ?        ?  
198   3  1  A  60  LYS  A  66  .  ?        ?  
199   3  1  A  61  LEU  A  67  .  ?        1  
200   3  1  A  62  ARG  A  68  .  ?        ?  
201   3  1  A  63  LYS  A  69  .  ?        ?  
202   3  1  A  64  LEU  A  70  .  ?        ?  
203   3  1  A  65  GLY  A  71  .  ?        ?  
204   3  1  A  66  GLY  A  72  .  ?        ?  
205   3  1  A  67  GLY  A  73  .  ?        ?  
206   3  1  A  68  SER  A  74  .  ?        ?  
207   3  1  A  69  SER  A  75  .  ?        ?  
208   4  1  A   1  GLY  A   7  .  ?        ?  
209   4  1  A   2  ALA  A   8  .  ?        ?  
210   4  1  A   3  MET  A   9  .  ?        ?  
211   4  1  A   4  ALA  A  10  .  ?        ?  
212   4  1  A   5  PRO  A  11  .  ?        ?  
213   4  1  A   6  PRO  A  12  .  ?        ?  
214   4  1  A   7  VAL  A  13  .  ?        ?  
215   4  1  A   8  ALA  A  14  .  ?        ?  
216   4  1  A   9  ALA  A  15  .  ?        ?  
217   4  1  A  10  PRO  A  16  .  ?        ?  
218   4  1  A  11  SER  A  17  .  ?        ?  
219   4  1  A  12  PRO  A  18  .  ?        ?  
220   4  1  A  13  ALA  A  19  .  ?        ?  
221   4  1  A  14  VAL  A  20  .  ?        ?  
222   4  1  A  15  THR  A  21  .  ?        ?  
223   4  1  A  16  TYR  A  22  .  ?        ?  
224   4  1  A  17  ALA  A  23  .  ?        ?  
225   4  1  A  18  LEU  A  24  .  ?        ?  
226   4  1  A  19  GLN  A  25  .  ?        ?  
227   4  1  A  20  GLU  A  26  .  ?        ?  
228   4  1  A  21  ASP  A  27  .  ?        ?  
229   4  1  A  22  VAL  A  28  .  ?        ?  
230   4  1  A  23  PHE  A  29  .  ?        ?  
231   4  1  A  24  ILE  A  30  .  ?        ?  
232   4  1  A  25  LYS  A  31  .  ?        1  
233   4  1  A  26  CYS  A  32  .  ?        ?  
234   4  1  A  27  ASN  A  33  .  ?        ?  
235   4  1  A  28  ASP  A  34  .  ?        ?  
236   4  1  A  29  GLY  A  35  .  ?        ?  
237   4  1  A  30  ARG  A  36  .  ?        ?  
238   4  1  A  31  PHE  A  37  .  ?        ?  
239   4  1  A  32  TYR  A  38  .  ?        ?  
240   4  1  A  33  LEU  A  39  .  ?        ?  
241   4  1  A  34  GLY  A  40  .  ?        ?  
242   4  1  A  35  THR  A  41  .  ?        ?  
243   4  1  A  36  ILE  A  42  .  ?        ?  
244   4  1  A  37  ILE  A  43  .  ?        2  
245   4  1  A  38  ASP  A  44  .  ?        ?  
246   4  1  A  39  GLN  A  45  .  ?        ?  
247   4  1  A  40  THR  A  46  .  ?        ?  
248   4  1  A  41  SER  A  47  .  ?        ?  
249   4  1  A  42  ASP  A  48  .  ?        1  
250   4  1  A  43  GLN  A  49  .  ?        ?  
251   4  1  A  44  TYR  A  50  .  ?        ?  
252   4  1  A  45  LEU  A  51  .  ?        1  
253   4  1  A  46  ILE  A  52  .  ?        2  
254   4  1  A  47  ARG  A  53  .  ?        1  
255   4  1  A  48  PHE  A  54  .  ?        ?  
256   4  1  A  49  ASP  A  55  .  ?        ?  
257   4  1  A  50  ASP  A  56  .  ?        ?  
258   4  1  A  51  GLN  A  57  .  ?        ?  
259   4  1  A  52  SER  A  58  .  ?        ?  
260   4  1  A  53  GLU  A  59  .  ?        1  
261   4  1  A  54  GLN  A  60  .  ?        ?  
262   4  1  A  55  TRP  A  61  .  ?        ?  
263   4  1  A  56  CYS  A  62  .  ?        ?  
264   4  1  A  57  GLU  A  63  .  ?        ?  
265   4  1  A  58  PRO  A  64  .  ?        2  
266   4  1  A  59  ASP  A  65  .  ?        ?  
267   4  1  A  60  LYS  A  66  .  ?        1  
268   4  1  A  61  LEU  A  67  .  ?        2  
269   4  1  A  62  ARG  A  68  .  ?        ?  
270   4  1  A  63  LYS  A  69  .  ?        ?  
271   4  1  A  64  LEU  A  70  .  ?        ?  
272   4  1  A  65  GLY  A  71  .  ?        ?  
273   4  1  A  66  GLY  A  72  .  ?        ?  
274   4  1  A  67  GLY  A  73  .  ?        ?  
275   4  1  A  68  SER  A  74  .  ?        ?  
276   4  1  A  69  SER  A  75  .  ?        ?  
277   5  1  A   1  GLY  A   7  .  ?        ?  
278   5  1  A   2  ALA  A   8  .  ?        ?  
279   5  1  A   3  MET  A   9  .  ?        ?  
280   5  1  A   4  ALA  A  10  .  ?        ?  
281   5  1  A   5  PRO  A  11  .  ?        ?  
282   5  1  A   6  PRO  A  12  .  ?        ?  
283   5  1  A   7  VAL  A  13  .  ?        ?  
284   5  1  A   8  ALA  A  14  .  ?        ?  
285   5  1  A   9  ALA  A  15  .  ?        ?  
286   5  1  A  10  PRO  A  16  .  ?        ?  
287   5  1  A  11  SER  A  17  .  ?        ?  
288   5  1  A  12  PRO  A  18  .  ?        ?  
289   5  1  A  13  ALA  A  19  .  ?        ?  
290   5  1  A  14  VAL  A  20  .  ?        ?  
291   5  1  A  15  THR  A  21  .  ?        ?  
292   5  1  A  16  TYR  A  22  .  ?        2  
293   5  1  A  17  ALA  A  23  .  ?        ?  
294   5  1  A  18  LEU  A  24  .  ?        ?  
295   5  1  A  19  GLN  A  25  .  ?        ?  
296   5  1  A  20  GLU  A  26  .  ?        ?  
297   5  1  A  21  ASP  A  27  .  ?        ?  
298   5  1  A  22  VAL  A  28  .  ?        ?  
299   5  1  A  23  PHE  A  29  .  ?        2  
300   5  1  A  24  ILE  A  30  .  ?        1  
301   5  1  A  25  LYS  A  31  .  ?        1  
302   5  1  A  26  CYS  A  32  .  ?        ?  
303   5  1  A  27  ASN  A  33  .  ?        ?  
304   5  1  A  28  ASP  A  34  .  ?        ?  
305   5  1  A  29  GLY  A  35  .  ?        ?  
306   5  1  A  30  ARG  A  36  .  ?        1  
307   5  1  A  31  PHE  A  37  .  ?        1  
308   5  1  A  32  TYR  A  38  .  ?        ?  
309   5  1  A  33  LEU  A  39  .  ?        ?  
310   5  1  A  34  GLY  A  40  .  ?        ?  
311   5  1  A  35  THR  A  41  .  ?        ?  
312   5  1  A  36  ILE  A  42  .  ?        2  
313   5  1  A  37  ILE  A  43  .  ?        1  
314   5  1  A  38  ASP  A  44  .  ?        ?  
315   5  1  A  39  GLN  A  45  .  ?        ?  
316   5  1  A  40  THR  A  46  .  ?        ?  
317   5  1  A  41  SER  A  47  .  ?        ?  
318   5  1  A  42  ASP  A  48  .  ?        ?  
319   5  1  A  43  GLN  A  49  .  ?        ?  
320   5  1  A  44  TYR  A  50  .  ?        ?  
321   5  1  A  45  LEU  A  51  .  ?        ?  
322   5  1  A  46  ILE  A  52  .  ?        2  
323   5  1  A  47  ARG  A  53  .  ?        1  
324   5  1  A  48  PHE  A  54  .  ?        ?  
325   5  1  A  49  ASP  A  55  .  ?        ?  
326   5  1  A  50  ASP  A  56  .  ?        ?  
327   5  1  A  51  GLN  A  57  .  ?        ?  
328   5  1  A  52  SER  A  58  .  ?        ?  
329   5  1  A  53  GLU  A  59  .  ?        1  
330   5  1  A  54  GLN  A  60  .  ?        ?  
331   5  1  A  55  TRP  A  61  .  ?        ?  
332   5  1  A  56  CYS  A  62  .  ?        ?  
333   5  1  A  57  GLU  A  63  .  ?        ?  
334   5  1  A  58  PRO  A  64  .  ?        1  
335   5  1  A  59  ASP  A  65  .  ?        ?  
336   5  1  A  60  LYS  A  66  .  ?        ?  
337   5  1  A  61  LEU  A  67  .  ?        1  
338   5  1  A  62  ARG  A  68  .  ?        ?  
339   5  1  A  63  LYS  A  69  .  ?        1  
340   5  1  A  64  LEU  A  70  .  ?        ?  
341   5  1  A  65  GLY  A  71  .  ?        ?  
342   5  1  A  66  GLY  A  72  .  ?        ?  
343   5  1  A  67  GLY  A  73  .  ?        ?  
344   5  1  A  68  SER  A  74  .  ?        ?  
345   5  1  A  69  SER  A  75  .  ?        ?  
346   6  1  A   1  GLY  A   7  .  ?        ?  
347   6  1  A   2  ALA  A   8  .  ?        ?  
348   6  1  A   3  MET  A   9  .  ?        ?  
349   6  1  A   4  ALA  A  10  .  ?        ?  
350   6  1  A   5  PRO  A  11  .  ?        ?  
351   6  1  A   6  PRO  A  12  .  ?        ?  
352   6  1  A   7  VAL  A  13  .  ?        ?  
353   6  1  A   8  ALA  A  14  .  ?        ?  
354   6  1  A   9  ALA  A  15  .  ?        ?  
355   6  1  A  10  PRO  A  16  .  ?        ?  
356   6  1  A  11  SER  A  17  .  ?        ?  
357   6  1  A  12  PRO  A  18  .  ?        ?  
358   6  1  A  13  ALA  A  19  .  ?        ?  
359   6  1  A  14  VAL  A  20  .  ?        1  
360   6  1  A  15  THR  A  21  .  ?        1  
361   6  1  A  16  TYR  A  22  .  ?        ?  
362   6  1  A  17  ALA  A  23  .  ?        ?  
363   6  1  A  18  LEU  A  24  .  ?        ?  
364   6  1  A  19  GLN  A  25  .  ?        ?  
365   6  1  A  20  GLU  A  26  .  ?        ?  
366   6  1  A  21  ASP  A  27  .  ?        ?  
367   6  1  A  22  VAL  A  28  .  ?        ?  
368   6  1  A  23  PHE  A  29  .  ?        ?  
369   6  1  A  24  ILE  A  30  .  ?        ?  
370   6  1  A  25  LYS  A  31  .  ?        2  
371   6  1  A  26  CYS  A  32  .  ?        ?  
372   6  1  A  27  ASN  A  33  .  ?        ?  
373   6  1  A  28  ASP  A  34  .  ?        ?  
374   6  1  A  29  GLY  A  35  .  ?        ?  
375   6  1  A  30  ARG  A  36  .  ?        ?  
376   6  1  A  31  PHE  A  37  .  ?        2  
377   6  1  A  32  TYR  A  38  .  ?        ?  
378   6  1  A  33  LEU  A  39  .  ?        ?  
379   6  1  A  34  GLY  A  40  .  ?        ?  
380   6  1  A  35  THR  A  41  .  ?        ?  
381   6  1  A  36  ILE  A  42  .  ?        ?  
382   6  1  A  37  ILE  A  43  .  ?        2  
383   6  1  A  38  ASP  A  44  .  ?        ?  
384   6  1  A  39  GLN  A  45  .  ?        ?  
385   6  1  A  40  THR  A  46  .  ?        ?  
386   6  1  A  41  SER  A  47  .  ?        ?  
387   6  1  A  42  ASP  A  48  .  ?        1  
388   6  1  A  43  GLN  A  49  .  ?        ?  
389   6  1  A  44  TYR  A  50  .  ?        1  
390   6  1  A  45  LEU  A  51  .  ?        1  
391   6  1  A  46  ILE  A  52  .  ?        1  
392   6  1  A  47  ARG  A  53  .  ?        2  
393   6  1  A  48  PHE  A  54  .  ?        ?  
394   6  1  A  49  ASP  A  55  .  ?        ?  
395   6  1  A  50  ASP  A  56  .  ?        ?  
396   6  1  A  51  GLN  A  57  .  ?        ?  
397   6  1  A  52  SER  A  58  .  ?        1  
398   6  1  A  53  GLU  A  59  .  ?        1  
399   6  1  A  54  GLN  A  60  .  ?        ?  
400   6  1  A  55  TRP  A  61  .  ?        ?  
401   6  1  A  56  CYS  A  62  .  ?        ?  
402   6  1  A  57  GLU  A  63  .  ?        ?  
403   6  1  A  58  PRO  A  64  .  ?        2  
404   6  1  A  59  ASP  A  65  .  ?        ?  
405   6  1  A  60  LYS  A  66  .  ?        ?  
406   6  1  A  61  LEU  A  67  .  ?        1  
407   6  1  A  62  ARG  A  68  .  ?        ?  
408   6  1  A  63  LYS  A  69  .  ?        1  
409   6  1  A  64  LEU  A  70  .  ?        ?  
410   6  1  A  65  GLY  A  71  .  ?        ?  
411   6  1  A  66  GLY  A  72  .  ?        ?  
412   6  1  A  67  GLY  A  73  .  ?        ?  
413   6  1  A  68  SER  A  74  .  ?        ?  
414   6  1  A  69  SER  A  75  .  ?        ?  
415   7  1  A   1  GLY  A   7  .  ?        ?  
416   7  1  A   2  ALA  A   8  .  ?        ?  
417   7  1  A   3  MET  A   9  .  ?        ?  
418   7  1  A   4  ALA  A  10  .  ?        ?  
419   7  1  A   5  PRO  A  11  .  ?        ?  
420   7  1  A   6  PRO  A  12  .  ?        ?  
421   7  1  A   7  VAL  A  13  .  ?        ?  
422   7  1  A   8  ALA  A  14  .  ?        ?  
423   7  1  A   9  ALA  A  15  .  ?        ?  
424   7  1  A  10  PRO  A  16  .  ?        ?  
425   7  1  A  11  SER  A  17  .  ?        ?  
426   7  1  A  12  PRO  A  18  .  ?        ?  
427   7  1  A  13  ALA  A  19  .  ?        ?  
428   7  1  A  14  VAL  A  20  .  ?        ?  
429   7  1  A  15  THR  A  21  .  ?        ?  
430   7  1  A  16  TYR  A  22  .  ?        2  
431   7  1  A  17  ALA  A  23  .  ?        ?  
432   7  1  A  18  LEU  A  24  .  ?        ?  
433   7  1  A  19  GLN  A  25  .  ?        ?  
434   7  1  A  20  GLU  A  26  .  ?        ?  
435   7  1  A  21  ASP  A  27  .  ?        ?  
436   7  1  A  22  VAL  A  28  .  ?        ?  
437   7  1  A  23  PHE  A  29  .  ?        2  
438   7  1  A  24  ILE  A  30  .  ?        1  
439   7  1  A  25  LYS  A  31  .  ?        2  
440   7  1  A  26  CYS  A  32  .  ?        1  
441   7  1  A  27  ASN  A  33  .  ?        ?  
442   7  1  A  28  ASP  A  34  .  ?        ?  
443   7  1  A  29  GLY  A  35  .  ?        ?  
444   7  1  A  30  ARG  A  36  .  ?        ?  
445   7  1  A  31  PHE  A  37  .  ?        2  
446   7  1  A  32  TYR  A  38  .  ?        ?  
447   7  1  A  33  LEU  A  39  .  ?        ?  
448   7  1  A  34  GLY  A  40  .  ?        ?  
449   7  1  A  35  THR  A  41  .  ?        ?  
450   7  1  A  36  ILE  A  42  .  ?        2  
451   7  1  A  37  ILE  A  43  .  ?        2  
452   7  1  A  38  ASP  A  44  .  ?        ?  
453   7  1  A  39  GLN  A  45  .  ?        ?  
454   7  1  A  40  THR  A  46  .  ?        ?  
455   7  1  A  41  SER  A  47  .  ?        ?  
456   7  1  A  42  ASP  A  48  .  ?        ?  
457   7  1  A  43  GLN  A  49  .  ?        ?  
458   7  1  A  44  TYR  A  50  .  ?        ?  
459   7  1  A  45  LEU  A  51  .  ?        1  
460   7  1  A  46  ILE  A  52  .  ?        3  
461   7  1  A  47  ARG  A  53  .  ?        2  
462   7  1  A  48  PHE  A  54  .  ?        ?  
463   7  1  A  49  ASP  A  55  .  ?        ?  
464   7  1  A  50  ASP  A  56  .  ?        ?  
465   7  1  A  51  GLN  A  57  .  ?        ?  
466   7  1  A  52  SER  A  58  .  ?        1  
467   7  1  A  53  GLU  A  59  .  ?        1  
468   7  1  A  54  GLN  A  60  .  ?        ?  
469   7  1  A  55  TRP  A  61  .  ?        ?  
470   7  1  A  56  CYS  A  62  .  ?        ?  
471   7  1  A  57  GLU  A  63  .  ?        ?  
472   7  1  A  58  PRO  A  64  .  ?        1  
473   7  1  A  59  ASP  A  65  .  ?        ?  
474   7  1  A  60  LYS  A  66  .  ?        ?  
475   7  1  A  61  LEU  A  67  .  ?        2  
476   7  1  A  62  ARG  A  68  .  ?        ?  
477   7  1  A  63  LYS  A  69  .  ?        1  
478   7  1  A  64  LEU  A  70  .  ?        ?  
479   7  1  A  65  GLY  A  71  .  ?        ?  
480   7  1  A  66  GLY  A  72  .  ?        ?  
481   7  1  A  67  GLY  A  73  .  ?        ?  
482   7  1  A  68  SER  A  74  .  ?        ?  
483   7  1  A  69  SER  A  75  .  ?        ?  
484   8  1  A   1  GLY  A   7  .  ?        ?  
485   8  1  A   2  ALA  A   8  .  ?        ?  
486   8  1  A   3  MET  A   9  .  ?        ?  
487   8  1  A   4  ALA  A  10  .  ?        ?  
488   8  1  A   5  PRO  A  11  .  ?        ?  
489   8  1  A   6  PRO  A  12  .  ?        ?  
490   8  1  A   7  VAL  A  13  .  ?        ?  
491   8  1  A   8  ALA  A  14  .  ?        ?  
492   8  1  A   9  ALA  A  15  .  ?        ?  
493   8  1  A  10  PRO  A  16  .  ?        ?  
494   8  1  A  11  SER  A  17  .  ?        ?  
495   8  1  A  12  PRO  A  18  .  ?        ?  
496   8  1  A  13  ALA  A  19  .  ?        ?  
497   8  1  A  14  VAL  A  20  .  ?        1  
498   8  1  A  15  THR  A  21  .  ?        ?  
499   8  1  A  16  TYR  A  22  .  ?        1  
500   8  1  A  17  ALA  A  23  .  ?        ?  
501   8  1  A  18  LEU  A  24  .  ?        ?  
502   8  1  A  19  GLN  A  25  .  ?        ?  
503   8  1  A  20  GLU  A  26  .  ?        ?  
504   8  1  A  21  ASP  A  27  .  ?        ?  
505   8  1  A  22  VAL  A  28  .  ?        ?  
506   8  1  A  23  PHE  A  29  .  ?        ?  
507   8  1  A  24  ILE  A  30  .  ?        ?  
508   8  1  A  25  LYS  A  31  .  ?        ?  
509   8  1  A  26  CYS  A  32  .  ?        ?  
510   8  1  A  27  ASN  A  33  .  ?        ?  
511   8  1  A  28  ASP  A  34  .  ?        ?  
512   8  1  A  29  GLY  A  35  .  ?        ?  
513   8  1  A  30  ARG  A  36  .  ?        ?  
514   8  1  A  31  PHE  A  37  .  ?        ?  
515   8  1  A  32  TYR  A  38  .  ?        ?  
516   8  1  A  33  LEU  A  39  .  ?        ?  
517   8  1  A  34  GLY  A  40  .  ?        ?  
518   8  1  A  35  THR  A  41  .  ?        ?  
519   8  1  A  36  ILE  A  42  .  ?        ?  
520   8  1  A  37  ILE  A  43  .  ?        1  
521   8  1  A  38  ASP  A  44  .  ?        ?  
522   8  1  A  39  GLN  A  45  .  ?        ?  
523   8  1  A  40  THR  A  46  .  ?        ?  
524   8  1  A  41  SER  A  47  .  ?        ?  
525   8  1  A  42  ASP  A  48  .  ?        1  
526   8  1  A  43  GLN  A  49  .  ?        ?  
527   8  1  A  44  TYR  A  50  .  ?        ?  
528   8  1  A  45  LEU  A  51  .  ?        ?  
529   8  1  A  46  ILE  A  52  .  ?        2  
530   8  1  A  47  ARG  A  53  .  ?        1  
531   8  1  A  48  PHE  A  54  .  ?        ?  
532   8  1  A  49  ASP  A  55  .  ?        ?  
533   8  1  A  50  ASP  A  56  .  ?        ?  
534   8  1  A  51  GLN  A  57  .  ?        ?  
535   8  1  A  52  SER  A  58  .  ?        ?  
536   8  1  A  53  GLU  A  59  .  ?        1  
537   8  1  A  54  GLN  A  60  .  ?        ?  
538   8  1  A  55  TRP  A  61  .  ?        ?  
539   8  1  A  56  CYS  A  62  .  ?        ?  
540   8  1  A  57  GLU  A  63  .  ?        ?  
541   8  1  A  58  PRO  A  64  .  ?        2  
542   8  1  A  59  ASP  A  65  .  ?        ?  
543   8  1  A  60  LYS  A  66  .  ?        ?  
544   8  1  A  61  LEU  A  67  .  ?        3  
545   8  1  A  62  ARG  A  68  .  ?        1  
546   8  1  A  63  LYS  A  69  .  ?        ?  
547   8  1  A  64  LEU  A  70  .  ?        ?  
548   8  1  A  65  GLY  A  71  .  ?        ?  
549   8  1  A  66  GLY  A  72  .  ?        ?  
550   8  1  A  67  GLY  A  73  .  ?        ?  
551   8  1  A  68  SER  A  74  .  ?        ?  
552   8  1  A  69  SER  A  75  .  ?        ?  
553   9  1  A   1  GLY  A   7  .  ?        ?  
554   9  1  A   2  ALA  A   8  .  ?        ?  
555   9  1  A   3  MET  A   9  .  ?        ?  
556   9  1  A   4  ALA  A  10  .  ?        ?  
557   9  1  A   5  PRO  A  11  .  ?        ?  
558   9  1  A   6  PRO  A  12  .  ?        ?  
559   9  1  A   7  VAL  A  13  .  ?        ?  
560   9  1  A   8  ALA  A  14  .  ?        ?  
561   9  1  A   9  ALA  A  15  .  ?        ?  
562   9  1  A  10  PRO  A  16  .  ?        ?  
563   9  1  A  11  SER  A  17  .  ?        ?  
564   9  1  A  12  PRO  A  18  .  ?        ?  
565   9  1  A  13  ALA  A  19  .  ?        ?  
566   9  1  A  14  VAL  A  20  .  ?        ?  
567   9  1  A  15  THR  A  21  .  ?        ?  
568   9  1  A  16  TYR  A  22  .  ?        ?  
569   9  1  A  17  ALA  A  23  .  ?        ?  
570   9  1  A  18  LEU  A  24  .  ?        ?  
571   9  1  A  19  GLN  A  25  .  ?        ?  
572   9  1  A  20  GLU  A  26  .  ?        ?  
573   9  1  A  21  ASP  A  27  .  ?        ?  
574   9  1  A  22  VAL  A  28  .  ?        ?  
575   9  1  A  23  PHE  A  29  .  ?        1  
576   9  1  A  24  ILE  A  30  .  ?        ?  
577   9  1  A  25  LYS  A  31  .  ?        1  
578   9  1  A  26  CYS  A  32  .  ?        ?  
579   9  1  A  27  ASN  A  33  .  ?        ?  
580   9  1  A  28  ASP  A  34  .  ?        ?  
581   9  1  A  29  GLY  A  35  .  ?        ?  
582   9  1  A  30  ARG  A  36  .  ?        ?  
583   9  1  A  31  PHE  A  37  .  ?        2  
584   9  1  A  32  TYR  A  38  .  ?        ?  
585   9  1  A  33  LEU  A  39  .  ?        ?  
586   9  1  A  34  GLY  A  40  .  ?        ?  
587   9  1  A  35  THR  A  41  .  ?        ?  
588   9  1  A  36  ILE  A  42  .  ?        ?  
589   9  1  A  37  ILE  A  43  .  ?        2  
590   9  1  A  38  ASP  A  44  .  ?        ?  
591   9  1  A  39  GLN  A  45  .  ?        ?  
592   9  1  A  40  THR  A  46  .  ?        ?  
593   9  1  A  41  SER  A  47  .  ?        ?  
594   9  1  A  42  ASP  A  48  .  ?        ?  
595   9  1  A  43  GLN  A  49  .  ?        ?  
596   9  1  A  44  TYR  A  50  .  ?        ?  
597   9  1  A  45  LEU  A  51  .  ?        1  
598   9  1  A  46  ILE  A  52  .  ?        1  
599   9  1  A  47  ARG  A  53  .  ?        1  
600   9  1  A  48  PHE  A  54  .  ?        ?  
601   9  1  A  49  ASP  A  55  .  ?        ?  
602   9  1  A  50  ASP  A  56  .  ?        ?  
603   9  1  A  51  GLN  A  57  .  ?        ?  
604   9  1  A  52  SER  A  58  .  ?        ?  
605   9  1  A  53  GLU  A  59  .  ?        1  
606   9  1  A  54  GLN  A  60  .  ?        ?  
607   9  1  A  55  TRP  A  61  .  ?        ?  
608   9  1  A  56  CYS  A  62  .  ?        ?  
609   9  1  A  57  GLU  A  63  .  ?        ?  
610   9  1  A  58  PRO  A  64  .  ?        1  
611   9  1  A  59  ASP  A  65  .  ?        ?  
612   9  1  A  60  LYS  A  66  .  ?        ?  
613   9  1  A  61  LEU  A  67  .  ?        1  
614   9  1  A  62  ARG  A  68  .  ?        ?  
615   9  1  A  63  LYS  A  69  .  ?        ?  
616   9  1  A  64  LEU  A  70  .  ?        ?  
617   9  1  A  65  GLY  A  71  .  ?        ?  
618   9  1  A  66  GLY  A  72  .  ?        ?  
619   9  1  A  67  GLY  A  73  .  ?        ?  
620   9  1  A  68  SER  A  74  .  ?        ?  
621   9  1  A  69  SER  A  75  .  ?        ?  
622  10  1  A   1  GLY  A   7  .  ?        ?  
623  10  1  A   2  ALA  A   8  .  ?        ?  
624  10  1  A   3  MET  A   9  .  ?        ?  
625  10  1  A   4  ALA  A  10  .  ?        ?  
626  10  1  A   5  PRO  A  11  .  ?        ?  
627  10  1  A   6  PRO  A  12  .  ?        ?  
628  10  1  A   7  VAL  A  13  .  ?        ?  
629  10  1  A   8  ALA  A  14  .  ?        ?  
630  10  1  A   9  ALA  A  15  .  ?        ?  
631  10  1  A  10  PRO  A  16  .  ?        ?  
632  10  1  A  11  SER  A  17  .  ?        ?  
633  10  1  A  12  PRO  A  18  .  ?        ?  
634  10  1  A  13  ALA  A  19  .  ?        ?  
635  10  1  A  14  VAL  A  20  .  ?        ?  
636  10  1  A  15  THR  A  21  .  ?        ?  
637  10  1  A  16  TYR  A  22  .  ?        ?  
638  10  1  A  17  ALA  A  23  .  ?        ?  
639  10  1  A  18  LEU  A  24  .  ?        ?  
640  10  1  A  19  GLN  A  25  .  ?        ?  
641  10  1  A  20  GLU  A  26  .  ?        ?  
642  10  1  A  21  ASP  A  27  .  ?        ?  
643  10  1  A  22  VAL  A  28  .  ?        ?  
644  10  1  A  23  PHE  A  29  .  ?        2  
645  10  1  A  24  ILE  A  30  .  ?        1  
646  10  1  A  25  LYS  A  31  .  ?        ?  
647  10  1  A  26  CYS  A  32  .  ?        ?  
648  10  1  A  27  ASN  A  33  .  ?        ?  
649  10  1  A  28  ASP  A  34  .  ?        ?  
650  10  1  A  29  GLY  A  35  .  ?        ?  
651  10  1  A  30  ARG  A  36  .  ?        ?  
652  10  1  A  31  PHE  A  37  .  ?        1  
653  10  1  A  32  TYR  A  38  .  ?        ?  
654  10  1  A  33  LEU  A  39  .  ?        ?  
655  10  1  A  34  GLY  A  40  .  ?        ?  
656  10  1  A  35  THR  A  41  .  ?        ?  
657  10  1  A  36  ILE  A  42  .  ?        ?  
658  10  1  A  37  ILE  A  43  .  ?        1  
659  10  1  A  38  ASP  A  44  .  ?        ?  
660  10  1  A  39  GLN  A  45  .  ?        ?  
661  10  1  A  40  THR  A  46  .  ?        ?  
662  10  1  A  41  SER  A  47  .  ?        ?  
663  10  1  A  42  ASP  A  48  .  ?        ?  
664  10  1  A  43  GLN  A  49  .  ?        ?  
665  10  1  A  44  TYR  A  50  .  ?        ?  
666  10  1  A  45  LEU  A  51  .  ?        ?  
667  10  1  A  46  ILE  A  52  .  ?        1  
668  10  1  A  47  ARG  A  53  .  ?        1  
669  10  1  A  48  PHE  A  54  .  ?        ?  
670  10  1  A  49  ASP  A  55  .  ?        ?  
671  10  1  A  50  ASP  A  56  .  ?        ?  
672  10  1  A  51  GLN  A  57  .  ?        ?  
673  10  1  A  52  SER  A  58  .  ?        ?  
674  10  1  A  53  GLU  A  59  .  ?        1  
675  10  1  A  54  GLN  A  60  .  ?        ?  
676  10  1  A  55  TRP  A  61  .  ?        ?  
677  10  1  A  56  CYS  A  62  .  ?        ?  
678  10  1  A  57  GLU  A  63  .  ?        ?  
679  10  1  A  58  PRO  A  64  .  ?        1  
680  10  1  A  59  ASP  A  65  .  ?        ?  
681  10  1  A  60  LYS  A  66  .  ?        ?  
682  10  1  A  61  LEU  A  67  .  ?        1  
683  10  1  A  62  ARG  A  68  .  ?        ?  
684  10  1  A  63  LYS  A  69  .  ?        ?  
685  10  1  A  64  LEU  A  70  .  ?        ?  
686  10  1  A  65  GLY  A  71  .  ?        ?  
687  10  1  A  66  GLY  A  72  .  ?        ?  
688  10  1  A  67  GLY  A  73  .  ?        ?  
689  10  1  A  68  SER  A  74  .  ?        ?  
690  10  1  A  69  SER  A  75  .  ?        ?  
#
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  0.78   5  0.49  molprobity     ?  False  
  2    2  ?        -115.0   120.8  Favored   5   5  0.67   7  0.70  molprobity     ?  False  
  3    3  ttm        74.4   -44.3  Allowed   9   8  0.73  10  0.50  molprobity     ?  False  
  4    4  ?        -119.4    86.7  Favored   5   5  0.59   8  0.39  molprobity     ?  False  
  5    5  Cg_exo    -78.5   150.5  Favored   7   8  0.79  12  0.52  molprobity     ?  False  
  6    6  Cg_exo    -68.6   102.4  Allowed   7   8  0.39  11  0.45  molprobity     ?  False  
  7    7  m        -141.5  -175.8  Allowed   9   7  0.55  10  0.58  molprobity     ?  False  
  8    8  ?        -101.2    30.4  Favored   5   5  0.79   7  0.73  molprobity     ?  False  
  9    9  ?        -143.3   166.3  Favored   5   5  0.93   8  0.83  molprobity     ?  False  
 10   10  Cg_exo    -64.2  -169.0  Allowed   7   8  0.52  11  0.33  molprobity     ?  False  
 11   11  m         -71.5   108.5  Favored   5   6  0.71   9  0.63  molprobity     ?  False  
 12   12  Cg_exo    -66.6   138.4  Favored   7   8  1.02  11  0.51  molprobity     ?  False  
 13   13  ?        -138.6    83.7  Allowed   5   5  0.96   7  0.79  molprobity     ?  False  
 14   14  m        -125.5   151.2  Favored   9   7  0.97  10  0.42  molprobity     ?  False  
 15   15  t        -127.7   156.2  Favored   7   7  1.03  10  0.68  molprobity     1  True   
 16   16  m-85     -140.1   156.7  Favored   9  13  0.96  18  0.44  molprobity     1  True   
 17   17  ?        -102.3   147.2  Favored   5   5  0.64   7  0.35  molprobity     1  True   
 18   18  mt        -65.3   160.8  Favored  11   8  0.43  11  0.53  molprobity     1  True   
 19   19  mt-30      68.4    19.4  Favored   8   9  0.60  12  0.41  molprobity     1  True   
 20   20  tp10     -113.6   137.3  Favored   6   9  0.61  12  0.77  molprobity     1  True   
 21   21  m-20      -85.5   136.2  Favored   4   8  0.76  11  0.97  molprobity     1  True   
 22   22  m        -144.2   153.1  Favored   9   7  0.62  10  0.72  molprobity     1  True   
 23   23  m-85      -86.5   138.9  Favored   9  12  0.43  16  0.50  molprobity     1  True   
 24   24  mp       -123.4   127.1  Favored  11   8  1.02  11  0.84  molprobity     1  True   
 25   25  tttt      -86.1   130.9  Favored  13   9  0.87  11  0.31  molprobity     1  True   
 26   26  t         -93.2   164.5  Favored   5   6  0.67   8  0.79  molprobity     1  True   
 27   27  t30       -60.0   -22.9  Favored   6   8  0.74  11  0.25  molprobity     1  True   
 28   28  t70       -73.0   -11.9  Favored   4   8  0.45  11  0.71  molprobity     1  True   
 29   29  ?         103.5   -12.0  Favored   3   4  0.79   5  0.22  molprobity     1  True   
 30   30  mpt_?     -80.7   143.2  Favored  13  11  0.68  14  0.78  molprobity     1  True   
 31   31  m-85     -104.7   130.7  Favored   9  12  0.93  16  0.89  molprobity     1  True   
 32   32  m-85     -117.7   129.4  Favored   9  13  0.73  18  0.42  molprobity     1  True   
 33   33  tp        -82.1   132.1  Favored  11   8  0.62  11  0.48  molprobity     1  True   
 34   34  ?        -148.8   166.6  Favored   3   4  1.17   5  0.58  molprobity     1  True   
 35   35  m        -104.7   127.0  Favored   7   7  0.77  10  0.63  molprobity     1  True   
 36   36  mt        -70.2   131.2  Favored  11   8  0.51  11  0.62  molprobity     1  True   
 37   37  OUTLIER  -111.1   -29.4  Favored  11   8  0.32  11  0.87  molprobity     1  True   
 38   38  t70      -151.7   156.6  Favored   4   8  0.87  11  0.59  molprobity     1  True   
 39   39  pt20     -135.9   150.0  Favored   8   9  0.98  12  0.61  molprobity     1  True   
 40   40  p        -124.6   179.5  Favored   7   7  1.13  10  0.98  molprobity     1  True   
 41   41  m         -77.5   -15.4  Favored   5   6  0.58   8  0.35  molprobity     1  True   
 42   42  p-10     -108.2   -29.0  Favored   4   8  0.49  11  0.65  molprobity     1  True   
 43   43  mt-30    -143.0   164.5  Favored   8   9  0.86  12  0.45  molprobity     1  True   
 44   44  m-85     -127.3   131.1  Favored   9  13  0.89  18  0.82  molprobity     1  True   
 45   45  tp        -85.4   114.9  Favored  11   8  1.04  11  0.57  molprobity     1  True   
 46   46  mm       -111.2   130.9  Favored  11   8  0.60  11  0.49  molprobity     1  True   
 47   47  ttt180   -102.8   114.8  Favored  13  11  1.23  14  1.02  molprobity     1  True   
 48   48  m-85      -78.3   177.4  Favored   9  12  1.06  16  0.66  molprobity     1  True   
 49   49  t70       -61.3   -30.8  Favored   4   8  0.39  11  0.75  molprobity     1  True   
 50   50  t70       -84.7     9.0  Favored   4   8  0.59  11  1.01  molprobity     1  True   
 51   51  mm-40      67.5     7.6  Favored   8   9  0.57  12  0.42  molprobity     1  True   
 52   52  m         -76.0   144.2  Favored   5   6  0.63   8  0.36  molprobity     1  True   
 53   53  mt-10    -114.8   126.6  Favored   6   9  0.85  12  0.53  molprobity     1  True   
 54   54  tt0      -140.7   144.7  Favored   8   9  0.50  12  0.44  molprobity     1  True   
 55   55  m95       -89.1   110.2  Favored  10  16  0.89  23  0.46  molprobity     1  True   
 56   56  m        -111.1   139.2  Favored   5   6  1.15   8  0.57  molprobity     1  True   
 57   57  mt-10     -71.8   154.3  Favored   6   9  0.91  13  0.84  molprobity     1  True   
 58   58  Cg_endo   -61.1   -18.2  Favored   7   8  0.30  11  0.35  molprobity     1  True   
 59   59  p-10      -73.8   -23.4  Favored   4   8  0.37  11  0.76  molprobity     1  True   
 60   60  mmtm      -84.7   -15.2  Favored  13   9  0.86  11  0.56  molprobity     1  True   
 61   61  mt        -98.3   133.5  Favored  11   8  1.22  11  0.51  molprobity     1  True   
 62   62  mmm180   -127.0   140.6  Favored  13  11  0.93  14  0.65  molprobity     1  True   
 63   63  OUTLIER   -75.8   147.4  Favored  13   9  0.53  11  0.57  molprobity     1  True   
 64   64  mt        -82.6   -32.2  Favored  11   8  0.43  11  0.59  molprobity     1  True   
 65   65  ?        -129.7    54.6  Allowed   3   4  0.74   5  0.22  molprobity     ?  False  
 66   66  ?          78.4   -67.3  Favored   3   4  0.46   5  0.18  molprobity     ?  False  
 67   67  ?          89.2   133.8  Favored   3   4  1.01   5  0.32  molprobity     ?  False  
 68   68  m         -97.1    -0.4  Favored   5   6  0.78   8  0.95  molprobity     ?  False  
 69   69  m             ?       ?  ?         5   6  1.34   5  1.14  molprobity     ?  False  
 70   70  ?             ?       ?  ?         2   4  0.68   5  0.88  molprobity     ?  False  
 71   71  ?        -178.8   138.3  Allowed   5   5  0.62   7  0.54  molprobity     ?  False  
 72   72  mtt       -86.3    75.5  Favored   9   8  0.68  10  0.98  molprobity     ?  False  
 73   73  ?        -167.9   161.3  Favored   5   5  0.73   8  0.77  molprobity     ?  False  
 74   74  Cg_exo    -67.0   178.6  Favored   7   8  1.02  12  0.50  molprobity     ?  False  
 75   75  Cg_exo    -46.0   128.0  Favored   7   8  0.66  11  0.35  molprobity     ?  False  
 76   76  m         -79.1   153.5  Favored   9   7  0.45  10  0.59  molprobity     ?  False  
 77   77  ?          63.2    27.2  Favored   5   5  0.92   7  0.82  molprobity     ?  False  
 78   78  ?        -122.5   169.9  Favored   5   5  0.62   8  0.94  molprobity     ?  False  
 79   79  Cg_endo   -73.2    19.4  Allowed   7   8  1.04  11  0.48  molprobity     ?  False  
 80   80  m        -100.2   147.2  Favored   5   6  0.70   9  0.80  molprobity     ?  False  
 81   81  Cg_exo    -61.5   137.4  Favored   7   8  0.39  11  0.63  molprobity     ?  False  
 82   82  ?        -174.4   134.0  Allowed   5   5  1.10   7  0.70  molprobity     ?  False  
 83   83  m         -81.1   154.1  Favored   9   7  1.10  10  0.82  molprobity     ?  False  
 84   84  p        -130.8   150.5  Favored   7   7  1.26  10  0.48  molprobity     1  True   
 85   85  m-85     -129.2   158.8  Favored   9  13  0.83  18  0.44  molprobity     1  True   
 86   86  ?        -116.8   152.4  Favored   5   5  0.30   7  0.29  molprobity     1  True   
 87   87  mt        -65.0   158.8  Favored  11   8  0.44  11  0.69  molprobity     1  True   
 88   88  mt-30      68.1     9.5  Favored   8   9  0.61  12  0.40  molprobity     1  True   
 89   89  tp10      -93.8   141.7  Favored   6   9  0.84  12  0.69  molprobity     1  True   
 90   90  m-20      -97.0   127.9  Favored   4   8  0.88  11  0.86  molprobity     1  True   
 91   91  m        -144.0   153.2  Favored   9   7  0.63  10  0.75  molprobity     1  True   
 92   92  m-85      -85.9   139.9  Favored   9  12  0.46  16  0.51  molprobity     1  True   
 93   93  mp       -121.7   117.9  Favored  11   8  1.23  11  0.94  molprobity     1  True   
 94   94  tttt      -79.4   124.8  Favored  13   9  1.17  11  0.50  molprobity     1  True   
 95   95  t         -80.0   169.0  Favored   5   6  0.82   8  0.61  molprobity     1  True   
 96   96  t-20      -61.6   -26.9  Favored   6   8  0.67  11  0.51  molprobity     1  True   
 97   97  t70       -76.6   -13.8  Favored   4   8  0.47  11  0.76  molprobity     1  True   
 98   98  ?         107.8   -10.2  Favored   3   4  0.61   5  0.49  molprobity     1  True   
 99   99  mpt_?     -83.9   145.7  Favored  13  11  0.54  14  0.70  molprobity     1  True   
100  100  m-85     -105.1   133.8  Favored   9  12  0.85  16  0.92  molprobity     1  True   
101  101  m-85     -122.0   131.6  Favored   9  13  0.67  18  0.45  molprobity     1  True   
102  102  tp        -86.0   121.4  Favored  11   8  0.50  11  0.49  molprobity     1  True   
103  103  ?        -140.8   172.9  Favored   3   4  0.97   5  0.42  molprobity     1  True   
104  104  m        -110.4   133.9  Favored   7   7  0.68  10  0.52  molprobity     1  True   
105  105  mt        -74.2   130.8  Favored  11   8  0.49  11  0.66  molprobity     1  True   
106  106  OUTLIER  -111.5   -32.1  Favored  11   8  0.45  11  0.81  molprobity     1  True   
107  107  t0       -147.2   157.4  Favored   4   8  0.89  11  0.52  molprobity     1  True   
108  108  pt20     -137.5   146.5  Favored   8   9  1.11  12  0.41  molprobity     1  True   
109  109  p        -114.7  -168.6  Allowed   7   7  1.18  10  0.91  molprobity     1  True   
110  110  t         -76.8   -27.1  Favored   5   6  0.80   8  0.34  molprobity     1  True   
111  111  m-20     -104.0   -43.9  Favored   4   8  0.60  11  0.96  molprobity     1  True   
112  112  mt-30    -121.1   168.0  Favored   8   9  0.87  12  0.70  molprobity     1  True   
113  113  m-85     -129.3   131.9  Favored   9  13  0.91  18  0.72  molprobity     1  True   
114  114  tp        -85.7   118.0  Favored  11   8  1.02  11  0.63  molprobity     1  True   
115  115  mm       -111.0   131.6  Favored  11   8  0.55  11  0.47  molprobity     1  True   
116  116  ttm180   -105.0   118.3  Favored  13  11  1.06  14  0.61  molprobity     1  True   
117  117  m-85      -88.7   176.0  Favored   9  12  0.50  16  0.28  molprobity     1  True   
118  118  t70       -64.7   -25.2  Favored   4   8  0.38  11  0.57  molprobity     1  True   
119  119  p-10      -87.8    14.4  Favored   4   8  0.31  11  1.08  molprobity     1  True   
120  120  mm-40      71.7     8.3  Favored   8   9  0.68  12  0.52  molprobity     1  True   
121  121  m         -75.7   138.1  Favored   5   6  0.79   8  0.37  molprobity     1  True   
122  122  mt-10    -114.9   125.6  Favored   6   9  1.25  12  0.67  molprobity     1  True   
123  123  tt0      -134.6   143.7  Favored   8   9  0.48  12  0.43  molprobity     1  True   
124  124  m95       -88.6   109.8  Favored  10  16  0.79  23  0.48  molprobity     1  True   
125  125  m        -110.9   145.4  Favored   5   6  1.21   8  0.64  molprobity     1  True   
126  126  mt-10     -74.0   151.0  Favored   6   9  0.88  13  0.77  molprobity     1  True   
127  127  Cg_endo   -63.8   -23.2  Favored   7   8  0.22  11  0.30  molprobity     1  True   
128  128  p30       -74.0   -12.2  Favored   4   8  0.38  11  0.70  molprobity     1  True   
129  129  mmtm      -96.3   -17.4  Favored  13   9  0.77  11  0.48  molprobity     1  True   
130  130  mt        -94.3   142.5  Favored  11   8  0.89  11  0.54  molprobity     1  True   
131  131  mmm180   -135.1   134.1  Favored  13  11  0.41  14  0.55  molprobity     1  True   
132  132  OUTLIER   -74.2   142.7  Favored  13   9  0.38  11  0.86  molprobity     1  True   
133  133  mt        -79.5   -33.6  Favored  11   8  0.48  11  0.78  molprobity     1  True   
134  134  ?        -168.7    53.4  Allowed   3   4  1.05   5  0.56  molprobity     ?  False  
135  135  ?        -163.2    53.8  Allowed   3   4  0.98   5  0.45  molprobity     ?  False  
136  136  ?         -46.5   -50.8  Favored   3   4  1.01   5  0.39  molprobity     ?  False  
137  137  m        -128.9   -64.3  Allowed   5   6  0.70   8  1.25  molprobity     ?  False  
138  138  m             ?       ?  ?         5   6  1.25   5  1.63  molprobity     ?  False  
139  139  ?             ?       ?  ?         2   4  0.38   5  0.94  molprobity     ?  False  
140  140  ?          63.1    97.2  OUTLIER   5   5  0.78   7  0.81  molprobity     ?  False  
141  141  mmt       -78.7   107.9  Favored   9   8  0.82  10  0.51  molprobity     ?  False  
142  142  ?        -118.4   146.7  Favored   5   5  0.82   8  0.63  molprobity     ?  False  
143  143  Cg_endo   -68.1   140.4  Favored   7   8  0.49  12  0.56  molprobity     ?  False  
144  144  Cg_endo   -71.8    50.7  Allowed   7   8  0.70  11  0.59  molprobity     ?  False  
145  145  t          69.5   -68.3  Allowed   9   7  0.62  10  0.38  molprobity     ?  False  
146  146  ?         -92.1    88.3  Favored   5   5  0.82   7  0.64  molprobity     ?  False  
147  147  ?        -163.5   167.2  Favored   5   5  0.66   8  0.61  molprobity     ?  False  
148  148  Cg_exo    -73.6  -157.5  OUTLIER   7   8  0.77  11  0.34  molprobity     ?  False  
149  149  m         -69.1   147.7  Favored   5   6  0.66   9  0.61  molprobity     ?  False  
150  150  Cg_endo   -62.4   137.8  Favored   7   8  0.49  11  0.71  molprobity     ?  False  
151  151  ?          57.7    79.3  Allowed   5   5  0.79   7  0.99  molprobity     ?  False  
152  152  m         -77.2   145.1  Favored   9   7  0.78  10  0.42  molprobity     ?  False  
153  153  t        -122.4   162.2  Favored   7   7  1.00  10  0.63  molprobity     1  True   
154  154  m-85     -137.0   159.5  Favored   9  13  0.87  18  0.36  molprobity     1  True   
155  155  ?        -121.0   160.7  Favored   5   5  0.21   7  0.22  molprobity     1  True   
156  156  mt        -65.8   157.1  Favored  11   8  0.31  11  0.75  molprobity     1  True   
157  157  mt-30      68.3     5.5  Favored   8   9  0.71  12  0.54  molprobity     1  True   
158  158  tp10      -86.6   128.6  Favored   6   9  0.92  12  0.91  molprobity     1  True   
159  159  m-20      -87.7   127.3  Favored   4   8  0.92  11  0.79  molprobity     1  True   
160  160  m        -143.6   154.4  Favored   9   7  0.67  10  0.81  molprobity     1  True   
161  161  m-85      -85.9   139.7  Favored   9  12  0.44  16  0.51  molprobity     1  True   
162  162  mp       -122.2   119.8  Favored  11   8  1.24  11  0.87  molprobity     1  True   
163  163  tttt      -81.8   124.3  Favored  13   9  1.19  11  0.44  molprobity     1  True   
164  164  t         -88.4   171.8  Favored   5   6  1.02   8  0.65  molprobity     1  True   
165  165  m120      -63.7   -25.0  Favored   6   8  0.41  11  0.18  molprobity     1  True   
166  166  p-10      -85.5     2.6  Favored   4   8  0.31  11  0.55  molprobity     1  True   
167  167  ?          92.7    -3.8  Favored   3   4  0.52   5  0.44  molprobity     1  True   
168  168  mpt_?     -85.6   152.3  Favored  13  11  0.59  14  0.79  molprobity     1  True   
169  169  m-85     -105.4   133.6  Favored   9  12  0.95  16  0.89  molprobity     1  True   
170  170  m-85     -119.6   130.6  Favored   9  13  0.68  18  0.37  molprobity     1  True   
171  171  tp        -88.5   118.4  Favored  11   8  0.51  11  0.46  molprobity     1  True   
172  172  ?        -137.9   174.4  Favored   3   4  0.74   5  0.51  molprobity     1  True   
173  173  m        -111.6   132.2  Favored   7   7  0.62  10  0.61  molprobity     1  True   
174  174  mt        -73.9   127.9  Favored  11   8  0.59  11  0.58  molprobity     1  True   
175  175  OUTLIER  -109.5   -29.9  Favored  11   8  0.46  11  0.85  molprobity     1  True   
176  176  t70      -149.2   156.4  Favored   4   8  0.76  11  0.86  molprobity     1  True   
177  177  pt20     -144.1   142.8  Favored   8   9  0.78  12  0.38  molprobity     1  True   
178  178  p        -120.9  -176.0  Favored   7   7  0.99  10  0.76  molprobity     1  True   
179  179  m         -77.0   -20.5  Favored   5   6  0.40   8  0.43  molprobity     1  True   
180  180  m-20     -109.7   -34.4  Favored   4   8  0.62  11  0.79  molprobity     1  True   
181  181  mt-30    -132.0   161.3  Favored   8   9  0.76  12  0.41  molprobity     1  True   
182  182  m-85     -127.0   130.6  Favored   9  13  0.83  18  0.96  molprobity     1  True   
183  183  tp        -85.6   116.1  Favored  11   8  0.86  11  0.55  molprobity     1  True   
184  184  mm       -111.0   129.4  Favored  11   8  0.46  11  0.48  molprobity     1  True   
185  185  ttt180   -106.1   115.8  Favored  13  11  1.07  14  0.68  molprobity     1  True   
186  186  m-85      -83.2   178.1  Favored   9  12  0.54  16  0.42  molprobity     1  True   
187  187  t70       -64.3   -26.2  Favored   4   8  0.61  11  0.64  molprobity     1  True   
188  188  p-10      -85.5     8.5  Favored   4   8  0.29  11  0.74  molprobity     1  True   
189  189  mt-30      70.2     8.8  Favored   8   9  0.77  12  0.37  molprobity     1  True   
190  190  m         -77.8   137.7  Favored   5   6  0.76   8  0.53  molprobity     1  True   
191  191  mt-10    -115.0   126.3  Favored   6   9  1.06  12  0.54  molprobity     1  True   
192  192  tp60     -134.9   142.4  Favored   8   9  0.50  12  0.42  molprobity     1  True   
193  193  m95       -89.2   109.4  Favored  10  16  0.74  23  0.41  molprobity     1  True   
194  194  m        -110.5   154.3  Favored   5   6  0.70   8  0.61  molprobity     1  True   
195  195  mt-10     -75.2   146.8  Favored   6   9  0.82  13  0.89  molprobity     1  True   
196  196  Cg_exo    -57.2   -28.1  Favored   7   8  0.54  11  0.68  molprobity     1  True   
197  197  p30       -72.7   -16.2  Favored   4   8  0.77  11  1.08  molprobity     1  True   
198  198  mmtm      -88.8   -20.2  Favored  13   9  0.59  11  0.48  molprobity     1  True   
199  199  mt        -90.8   135.7  Favored  11   8  0.99  11  0.46  molprobity     1  True   
200  200  mmt85    -133.2   136.2  Favored  13  11  0.51  14  0.75  molprobity     1  True   
201  201  mptp?     -68.2   146.2  Favored  13   9  0.62  11  0.78  molprobity     1  True   
202  202  mt        -80.5   -24.1  Favored  11   8  0.42  11  0.58  molprobity     1  True   
203  203  ?         -92.3   -79.8  Allowed   3   4  0.81   5  0.49  molprobity     ?  False  
204  204  ?        -161.9    -8.5  OUTLIER   3   4  0.61   5  1.08  molprobity     ?  False  
205  205  ?         145.2   -70.9  Allowed   3   4  0.65   5  0.33  molprobity     ?  False  
206  206  m         -67.2   -31.4  Favored   5   6  0.61   8  1.10  molprobity     ?  False  
207  207  t             ?       ?  ?         5   6  1.40   5  1.35  molprobity     ?  False  
208  208  ?             ?       ?  ?         2   4  0.76   5  0.60  molprobity     ?  False  
209  209  ?        -161.0   -38.7  OUTLIER   5   5  0.42   7  0.65  molprobity     ?  False  
210  210  ttt        70.7    28.8  Favored   9   8  0.69  10  0.73  molprobity     ?  False  
211  211  ?         -87.4   108.8  Favored   5   5  0.55   8  0.45  molprobity     ?  False  
212  212  Cg_exo    -75.2   134.7  Favored   7   8  0.56  12  0.61  molprobity     ?  False  
213  213  Cg_exo    -55.3   -44.1  Favored   7   8  0.38  11  0.32  molprobity     ?  False  
214  214  t         -89.3   101.2  Favored   9   7  0.67  10  0.50  molprobity     ?  False  
215  215  ?         -84.1    62.1  Favored   5   5  1.02   7  0.79  molprobity     ?  False  
216  216  ?         -97.1   -51.9  Allowed   5   5  0.88   8  1.10  molprobity     ?  False  
217  217  Cg_endo   -87.5   159.2  Favored   7   8  0.98  11  0.49  molprobity     ?  False  
218  218  m         -89.8   138.2  Favored   5   6  0.69   9  0.61  molprobity     ?  False  
219  219  Cg_endo   -66.1   136.3  Favored   7   8  0.68  11  0.80  molprobity     ?  False  
220  220  ?          55.2    79.6  Allowed   5   5  0.56   7  0.91  molprobity     ?  False  
221  221  m         -66.0   139.2  Favored   9   7  0.77  10  0.51  molprobity     ?  False  
222  222  t        -130.2   158.2  Favored   7   7  0.99  10  0.66  molprobity     1  True   
223  223  m-85     -134.7   158.7  Favored   9  13  0.89  18  0.38  molprobity     1  True   
224  224  ?        -107.8   155.5  Favored   5   5  0.47   7  0.22  molprobity     1  True   
225  225  mt        -66.0   158.0  Favored  11   8  0.18  11  0.62  molprobity     1  True   
226  226  mt-30      66.4    17.2  Favored   8   9  0.71  12  0.51  molprobity     1  True   
227  227  tp10      -95.8   128.8  Favored   6   9  1.15  12  0.74  molprobity     1  True   
228  228  m-20      -87.4   128.7  Favored   4   8  0.75  11  0.74  molprobity     1  True   
229  229  m        -144.3   161.5  Favored   9   7  0.50  10  0.79  molprobity     1  True   
230  230  m-85      -91.0   139.4  Favored   9  12  0.58  16  0.54  molprobity     1  True   
231  231  mp       -122.5   124.3  Favored  11   8  1.19  11  0.82  molprobity     1  True   
232  232  tttt      -84.5   127.7  Favored  13   9  1.08  11  0.36  molprobity     1  True   
233  233  t         -89.8   166.9  Favored   5   6  0.73   8  0.60  molprobity     1  True   
234  234  t30       -61.8   -21.1  Favored   6   8  0.58  11  0.63  molprobity     1  True   
235  235  m-20      -75.3    -7.0  Favored   4   8  0.40  11  0.51  molprobity     1  True   
236  236  ?          85.2     2.2  Favored   3   4  0.56   5  0.16  molprobity     1  True   
237  237  mpt_?     -93.0   151.4  Favored  13  11  0.73  14  0.82  molprobity     1  True   
238  238  m-85     -105.8   129.7  Favored   9  12  0.85  16  0.83  molprobity     1  True   
239  239  m-85     -117.4   129.0  Favored   9  13  0.78  18  0.42  molprobity     1  True   
240  240  tt        -85.0   129.3  Favored  11   8  0.65  11  0.77  molprobity     1  True   
241  241  ?        -147.4   172.1  Favored   3   4  1.15   5  0.49  molprobity     1  True   
242  242  m        -104.8   128.8  Favored   7   7  0.83  10  0.64  molprobity     1  True   
243  243  mt        -72.4   134.5  Favored  11   8  0.54  11  0.59  molprobity     1  True   
244  244  OUTLIER  -115.2   -32.4  Allowed  11   8  0.42  11  0.92  molprobity     1  True   
245  245  t0       -147.8   158.2  Favored   4   8  0.70  11  0.76  molprobity     1  True   
246  246  pt20     -138.6   150.5  Favored   8   9  0.90  12  0.47  molprobity     1  True   
247  247  p        -124.6  -166.5  Allowed   7   7  0.71  10  0.74  molprobity     1  True   
248  248  m         -77.0   -31.6  Favored   5   6  0.57   8  0.28  molprobity     1  True   
249  249  m-20     -108.7   -28.2  Favored   4   8  0.54  11  0.72  molprobity     1  True   
250  250  mt-30    -133.3   166.8  Favored   8   9  0.63  12  0.57  molprobity     1  True   
251  251  m-85     -127.2   137.2  Favored   9  13  0.91  18  0.71  molprobity     1  True   
252  252  tp        -90.6   118.3  Favored  11   8  0.85  11  0.57  molprobity     1  True   
253  253  mm       -111.5   133.8  Favored  11   8  0.30  11  0.47  molprobity     1  True   
254  254  ttt180   -107.8   118.3  Favored  13  11  0.91  14  0.78  molprobity     1  True   
255  255  m-85      -90.3   178.8  Favored   9  12  0.40  16  0.36  molprobity     1  True   
256  256  t70       -59.5   -30.2  Favored   4   8  0.64  11  0.64  molprobity     1  True   
257  257  p30       -85.0     8.2  Favored   4   8  0.45  11  0.84  molprobity     1  True   
258  258  mt-30      71.2     8.8  Favored   8   9  0.55  12  0.42  molprobity     1  True   
259  259  m         -76.2   139.9  Favored   5   6  0.94   8  0.48  molprobity     1  True   
260  260  mt-10    -114.9   125.7  Favored   6   9  0.84  12  0.65  molprobity     1  True   
261  261  mt-30    -135.7   146.1  Favored   8   9  0.48  12  0.30  molprobity     1  True   
262  262  m95       -89.6   117.1  Favored  10  16  0.63  23  0.34  molprobity     1  True   
263  263  m        -122.2   145.5  Favored   5   6  0.80   8  0.68  molprobity     1  True   
264  264  mp0       -72.5   159.1  Favored   6   9  1.09  13  0.92  molprobity     1  True   
265  265  Cg_exo    -64.7   -23.2  Favored   7   8  0.32  11  0.54  molprobity     1  True   
266  266  t70       -73.2   -26.8  Favored   4   8  0.31  11  0.71  molprobity     1  True   
267  267  mmtp      -79.1   -18.2  Favored  13   9  0.79  11  0.77  molprobity     1  True   
268  268  mt        -96.7   134.0  Favored  11   8  1.25  11  0.49  molprobity     1  True   
269  269  mmp_?    -121.9   131.9  Favored  13  11  0.64  14  0.91  molprobity     1  True   
270  270  OUTLIER   -69.0   144.6  Favored  13   9  0.37  11  0.69  molprobity     1  True   
271  271  mt        -85.1   -29.1  Favored  11   8  0.28  11  0.61  molprobity     1  True   
272  272  ?         -76.2    70.7  Favored   3   4  0.35   5  0.22  molprobity     ?  False  
273  273  ?          75.3   -64.6  Favored   3   4  0.58   5  0.31  molprobity     ?  False  
274  274  ?         -67.2   113.8  Favored   3   4  0.91   5  0.32  molprobity     ?  False  
275  275  m         -83.3     1.6  Favored   5   6  0.60   8  0.71  molprobity     ?  False  
276  276  m             ?       ?  ?         5   6  0.82   5  0.81  molprobity     ?  False  
277  277  ?             ?       ?  ?         2   4  1.09   5  0.66  molprobity     ?  False  
278  278  ?         -83.1   154.2  Favored   5   5  0.56   7  0.77  molprobity     ?  False  
279  279  mtt        73.7   152.7  Allowed   9   8  0.60  10  0.68  molprobity     ?  False  
280  280  ?        -101.0   111.0  Favored   5   5  0.59   8  0.69  molprobity     ?  False  
281  281  Cg_exo    -62.8   116.9  Favored   7   8  0.26  12  0.50  molprobity     ?  False  
282  282  Cg_exo    -75.2   112.0  Favored   7   8  0.64  11  0.58  molprobity     ?  False  
283  283  t          72.6   156.4  OUTLIER   9   7  1.05  10  0.73  molprobity     ?  False  
284  284  ?          75.5  -171.7  Allowed   5   5  0.71   7  0.94  molprobity     ?  False  
285  285  ?         -57.3   132.3  Favored   5   5  0.40   8  0.58  molprobity     ?  False  
286  286  Cg_endo   -74.4    19.9  Allowed   7   8  0.87  11  0.42  molprobity     ?  False  
287  287  m        -100.5   108.1  Favored   5   6  0.85   9  0.75  molprobity     ?  False  
288  288  Cg_exo    -67.3   137.1  Favored   7   8  0.69  11  0.54  molprobity     ?  False  
289  289  ?        -157.1  -174.2  Favored   5   5  2.01   7  0.84  molprobity     ?  False  
290  290  m        -131.7   174.6  Favored   9   7  0.93  10  0.77  molprobity     ?  False  
291  291  p        -119.2   159.9  Favored   7   7  0.95  10  0.49  molprobity     1  True   
292  292  m-85     -127.6   158.9  Favored   9  13  0.85  18  0.50  molprobity     1  True   
293  293  ?        -118.9   154.4  Favored   5   5  0.37   7  0.32  molprobity     1  True   
294  294  mt        -66.0   154.2  Favored  11   8  0.39  11  0.73  molprobity     1  True   
295  295  mt-30      69.5     6.2  Favored   8   9  0.60  12  0.51  molprobity     1  True   
296  296  tt0       -87.9   131.7  Favored   6   9  0.80  12  0.90  molprobity     1  True   
297  297  m-20      -91.1   128.0  Favored   4   8  0.84  11  0.84  molprobity     1  True   
298  298  m        -143.7   161.1  Favored   9   7  0.73  10  0.77  molprobity     1  True   
299  299  m-85      -94.5   140.8  Favored   9  12  0.61  16  0.51  molprobity     1  True   
300  300  mp       -121.7   120.9  Favored  11   8  1.08  11  0.85  molprobity     1  True   
301  301  tttt      -84.9   131.0  Favored  13   9  1.00  11  0.41  molprobity     1  True   
302  302  p         -92.4   173.7  Favored   5   6  0.79   8  0.43  molprobity     1  True   
303  303  m-20      -65.8   -15.6  Favored   6   8  0.50  11  0.57  molprobity     1  True   
304  304  t70       -82.5   -12.6  Favored   4   8  0.57  11  0.82  molprobity     1  True   
305  305  ?         100.9     7.5  Favored   3   4  0.68   5  0.26  molprobity     1  True   
306  306  mmt180    -94.3   145.4  Favored  13  11  0.62  14  0.34  molprobity     1  True   
307  307  m-85     -105.2   129.4  Favored   9  12  1.00  16  0.83  molprobity     1  True   
308  308  m-85     -118.3   128.1  Favored   9  13  0.78  18  0.39  molprobity     1  True   
309  309  tt        -82.1   130.3  Favored  11   8  0.71  11  0.58  molprobity     1  True   
310  310  ?        -147.8   172.6  Favored   3   4  1.58   5  0.47  molprobity     1  True   
311  311  m        -111.5   134.9  Favored   7   7  0.68  10  0.64  molprobity     1  True   
312  312  mt        -76.5   128.3  Favored  11   8  0.41  11  0.54  molprobity     1  True   
313  313  OUTLIER  -106.2   -35.9  Favored  11   8  0.45  11  0.85  molprobity     1  True   
314  314  t0       -143.9   157.4  Favored   4   8  0.75  11  0.79  molprobity     1  True   
315  315  pt20     -138.2   147.6  Favored   8   9  0.89  12  0.46  molprobity     1  True   
316  316  p        -124.5  -175.0  Favored   7   7  0.95  10  0.74  molprobity     1  True   
317  317  m         -76.0   -25.0  Favored   5   6  0.79   8  0.60  molprobity     1  True   
318  318  m-20     -109.0   -30.5  Favored   4   8  0.55  11  0.84  molprobity     1  True   
319  319  mt-30    -131.2   163.0  Favored   8   9  0.67  12  0.55  molprobity     1  True   
320  320  m-85     -125.0   131.2  Favored   9  13  0.82  18  0.91  molprobity     1  True   
321  321  tp        -86.2   115.5  Favored  11   8  0.78  11  0.51  molprobity     1  True   
322  322  mm       -110.7   134.4  Favored  11   8  0.49  11  0.62  molprobity     1  True   
323  323  ttt180   -100.4   118.4  Favored  13  11  0.94  14  0.48  molprobity     1  True   
324  324  m-85      -93.2   178.3  Favored   9  12  0.55  16  0.30  molprobity     1  True   
325  325  t70       -62.8   -24.7  Favored   4   8  0.44  11  0.76  molprobity     1  True   
326  326  t70       -84.8     7.9  Favored   4   8  0.48  11  0.93  molprobity     1  True   
327  327  mt-30      69.4    10.2  Favored   8   9  0.54  12  0.42  molprobity     1  True   
328  328  m         -75.7   141.4  Favored   5   6  0.82   8  0.62  molprobity     1  True   
329  329  mt-10    -114.5   129.1  Favored   6   9  0.66  12  0.71  molprobity     1  True   
330  330  tt0      -135.7   145.3  Favored   8   9  0.55  12  0.41  molprobity     1  True   
331  331  m95       -88.8   114.2  Favored  10  16  0.74  23  0.41  molprobity     1  True   
332  332  m        -115.9   152.4  Favored   5   6  1.01   8  0.60  molprobity     1  True   
333  333  mt-10     -78.5   152.2  Favored   6   9  0.76  13  0.83  molprobity     1  True   
334  334  Cg_exo    -61.0   -23.2  Favored   7   8  0.32  11  0.95  molprobity     1  True   
335  335  t70       -62.8   -28.0  Favored   4   8  0.64  11  0.79  molprobity     1  True   
336  336  mmtm      -97.4    -6.8  Favored  13   9  0.58  11  0.39  molprobity     1  True   
337  337  mt       -100.3   147.3  Favored  11   8  0.78  11  0.54  molprobity     1  True   
338  338  mmt-85   -140.6   132.6  Favored  13  11  0.51  14  0.58  molprobity     1  True   
339  339  mptp?     -66.9   138.1  Favored  13   9  0.61  11  0.91  molprobity     1  True   
340  340  mt        -71.4   -32.2  Favored  11   8  0.58  11  0.70  molprobity     1  True   
341  341  ?        -159.8   156.9  Favored   3   4  1.79   5  1.10  molprobity     ?  False  
342  342  ?          78.7    49.6  Favored   3   4  0.56   5  0.46  molprobity     ?  False  
343  343  ?         -67.0    95.0  Allowed   3   4  0.74   5  1.01  molprobity     ?  False  
344  344  m         -52.4   125.7  Favored   5   6  0.89   8  1.01  molprobity     ?  False  
345  345  m             ?       ?  ?         5   6  1.04   5  0.85  molprobity     ?  False  
346  346  ?             ?       ?  ?         2   4  0.81   5  0.49  molprobity     ?  False  
347  347  ?        -131.1    23.2  Favored   5   5  0.44   7  0.76  molprobity     ?  False  
348  348  tpp        74.9   -53.7  Allowed   9   8  0.89  10  0.68  molprobity     ?  False  
349  349  ?        -126.2   144.2  Favored   5   5  0.73   8  0.87  molprobity     ?  False  
350  350  Cg_endo   -57.7   143.4  Favored   7   8  0.47  12  0.56  molprobity     ?  False  
351  351  Cg_endo   -58.5   150.4  Favored   7   8  0.51  11  0.30  molprobity     ?  False  
352  352  t         -83.9    72.5  Allowed   9   7  0.50  10  0.90  molprobity     ?  False  
353  353  ?         174.5    32.9  OUTLIER   5   5  0.79   7  0.83  molprobity     ?  False  
354  354  ?        -145.3   161.5  Favored   5   5  0.64   8  0.67  molprobity     ?  False  
355  355  Cg_endo   -77.1  -142.6  OUTLIER   7   8  0.89  11  0.44  molprobity     ?  False  
356  356  p         -68.0   157.8  Favored   5   6  0.92   9  0.92  molprobity     ?  False  
357  357  Cg_endo   -56.7   138.7  Favored   7   8  0.80  11  0.44  molprobity     ?  False  
358  358  ?        -126.3    90.9  Favored   5   5  1.28   7  0.66  molprobity     ?  False  
359  359  t        -104.5   154.7  Favored   9   7  1.06  10  0.90  molprobity     ?  False  
360  360  t        -129.3   166.3  Favored   7   7  1.07  10  0.86  molprobity     1  True   
361  361  m-85     -141.0   159.3  Favored   9  13  0.94  18  0.50  molprobity     1  True   
362  362  ?        -106.5   144.9  Favored   5   5  0.39   7  0.20  molprobity     1  True   
363  363  mt        -65.5   150.3  Favored  11   8  0.39  11  0.70  molprobity     1  True   
364  364  mt-30      68.8    19.2  Favored   8   9  0.62  12  0.79  molprobity     1  True   
365  365  tp10     -100.6   141.2  Favored   6   9  0.82  12  0.76  molprobity     1  True   
366  366  m-20      -90.5   133.1  Favored   4   8  0.53  11  0.81  molprobity     1  True   
367  367  m        -144.1   155.0  Favored   9   7  0.58  10  0.71  molprobity     1  True   
368  368  m-85      -87.5   139.8  Favored   9  12  0.53  16  0.53  molprobity     1  True   
369  369  mp       -122.5   123.9  Favored  11   8  1.06  11  0.89  molprobity     1  True   
370  370  tttt      -90.2   127.1  Favored  13   9  0.96  11  0.42  molprobity     1  True   
371  371  p         -93.3   173.8  Favored   5   6  0.74   8  0.38  molprobity     1  True   
372  372  t-20      -61.8   -23.6  Favored   6   8  0.47  11  0.23  molprobity     1  True   
373  373  t70       -75.8   -11.6  Favored   4   8  0.44  11  0.76  molprobity     1  True   
374  374  ?          94.8     6.0  Favored   3   4  0.70   5  0.23  molprobity     1  True   
375  375  mmt180    -85.4   143.4  Favored  13  11  0.74  14  0.85  molprobity     1  True   
376  376  m-85     -106.0   129.2  Favored   9  12  0.93  16  0.81  molprobity     1  True   
377  377  m-85     -116.1   124.4  Favored   9  13  0.81  18  0.44  molprobity     1  True   
378  378  tp        -78.9   121.6  Favored  11   8  0.51  11  0.55  molprobity     1  True   
379  379  ?        -138.0   171.0  Favored   3   4  0.96   5  0.42  molprobity     1  True   
380  380  m        -112.6   129.7  Favored   7   7  0.68  10  0.63  molprobity     1  True   
381  381  mt        -73.6   136.5  Favored  11   8  0.62  11  0.65  molprobity     1  True   
382  382  OUTLIER  -117.5   -32.5  Allowed  11   8  0.47  11  0.76  molprobity     1  True   
383  383  t70      -146.7   157.2  Favored   4   8  0.75  11  0.80  molprobity     1  True   
384  384  OUTLIER  -143.2   142.5  Favored   8   9  1.09  12  0.48  molprobity     1  True   
385  385  p        -116.4  -174.2  Favored   7   7  1.04  10  0.69  molprobity     1  True   
386  386  t         -76.8   -12.6  Favored   5   6  0.80   8  0.47  molprobity     1  True   
387  387  m-20     -116.4   -42.6  Favored   4   8  0.86  11  0.62  molprobity     1  True   
388  388  mt-30    -126.8   166.1  Favored   8   9  0.79  12  0.45  molprobity     1  True   
389  389  m-85     -127.5   130.0  Favored   9  13  1.02  18  0.90  molprobity     1  True   
390  390  tp        -83.9   116.8  Favored  11   8  0.98  11  0.59  molprobity     1  True   
391  391  mm       -111.0   131.1  Favored  11   8  0.54  11  0.48  molprobity     1  True   
392  392  ttp180   -105.9   117.4  Favored  13  11  1.10  14  0.88  molprobity     1  True   
393  393  m-85      -87.7   179.4  Favored   9  12  0.61  16  0.39  molprobity     1  True   
394  394  t70       -59.2   -32.6  Favored   4   8  0.39  11  0.54  molprobity     1  True   
395  395  t70       -85.0     9.6  Favored   4   8  0.53  11  0.85  molprobity     1  True   
396  396  mm-40      70.3    18.5  Favored   8   9  0.60  12  0.71  molprobity     1  True   
397  397  m         -70.1   128.7  Favored   5   6  0.96   8  0.96  molprobity     1  True   
398  398  mt-10    -115.1   127.4  Favored   6   9  0.79  12  0.52  molprobity     1  True   
399  399  mt-30    -138.0   148.6  Favored   8   9  0.60  12  0.59  molprobity     1  True   
400  400  m95       -89.3   115.2  Favored  10  16  0.77  23  0.45  molprobity     1  True   
401  401  m        -117.4   145.1  Favored   5   6  0.94   8  0.62  molprobity     1  True   
402  402  mt-10     -70.1   156.1  Favored   6   9  1.14  13  0.83  molprobity     1  True   
403  403  Cg_endo   -67.0   -20.7  Favored   7   8  0.33  11  0.79  molprobity     1  True   
404  404  t70       -63.3   -30.4  Favored   4   8  0.43  11  0.84  molprobity     1  True   
405  405  mmtm      -93.2    -7.4  Favored  13   9  0.57  11  0.34  molprobity     1  True   
406  406  mt        -99.9   142.3  Favored  11   8  0.90  11  0.51  molprobity     1  True   
407  407  mmt-85   -130.8   130.4  Favored  13  11  0.72  14  0.65  molprobity     1  True   
408  408  mptt      -71.8   137.3  Favored  13   9  0.54  11  0.82  molprobity     1  True   
409  409  mt        -73.7   -32.6  Favored  11   8  0.56  11  0.51  molprobity     1  True   
410  410  ?        -122.3   119.8  Favored   3   4  1.52   5  0.55  molprobity     ?  False  
411  411  ?          78.0    38.2  Favored   3   4  0.97   5  0.50  molprobity     ?  False  
412  412  ?        -100.9    90.4  Allowed   3   4  1.24   5  0.22  molprobity     ?  False  
413  413  m         -80.0   -39.4  Favored   5   6  0.57   8  0.97  molprobity     ?  False  
414  414  m             ?       ?  ?         5   6  1.18   5  1.08  molprobity     ?  False  
415  415  ?             ?       ?  ?         2   4  0.66   5  0.48  molprobity     ?  False  
416  416  ?         -86.4    77.2  Favored   5   5  0.86   7  1.33  molprobity     ?  False  
417  417  tpp       166.9   103.7  OUTLIER   9   8  0.74  10  0.77  molprobity     ?  False  
418  418  ?        -150.7   140.4  Favored   5   5  0.74   8  0.58  molprobity     ?  False  
419  419  Cg_endo   -53.4   122.0  Favored   7   8  0.55  12  0.62  molprobity     ?  False  
420  420  Cg_exo    -71.7    44.8  Allowed   7   8  0.80  11  0.45  molprobity     ?  False  
421  421  p        -155.3   139.1  Favored   9   7  0.88  10  0.38  molprobity     ?  False  
422  422  ?         -87.2    70.3  Favored   5   5  0.87   7  0.86  molprobity     ?  False  
423  423  ?        -130.8   -54.6  OUTLIER   5   5  0.94   8  1.11  molprobity     ?  False  
424  424  Cg_endo   -93.9   168.6  Favored   7   8  0.97  11  0.42  molprobity     ?  False  
425  425  t         -97.3   114.2  Favored   5   6  0.88   9  0.52  molprobity     ?  False  
426  426  Cg_endo   -68.3   136.5  Favored   7   8  0.60  11  0.56  molprobity     ?  False  
427  427  ?         173.9   140.7  OUTLIER   5   5  1.30   7  0.72  molprobity     ?  False  
428  428  m        -118.6   131.4  Favored   9   7  1.09  10  0.56  molprobity     ?  False  
429  429  t        -125.2   153.1  Favored   7   7  1.26  10  0.58  molprobity     1  True   
430  430  m-85     -134.9   156.4  Favored   9  13  0.99  18  0.49  molprobity     1  True   
431  431  ?        -121.1   156.0  Favored   5   5  0.71   7  0.32  molprobity     1  True   
432  432  mt        -65.4   153.6  Favored  11   8  0.41  11  0.59  molprobity     1  True   
433  433  mt-30      70.6     8.1  Favored   8   9  0.62  12  0.42  molprobity     1  True   
434  434  tp10      -89.2   141.3  Favored   6   9  0.66  12  0.76  molprobity     1  True   
435  435  m-20      -98.9   127.6  Favored   4   8  0.69  11  0.84  molprobity     1  True   
436  436  m        -143.3   164.1  Favored   9   7  0.66  10  0.84  molprobity     1  True   
437  437  m-85      -95.9   139.6  Favored   9  12  0.68  16  0.50  molprobity     1  True   
438  438  mp       -122.2   121.2  Favored  11   8  1.22  11  0.97  molprobity     1  True   
439  439  tttt      -88.4   132.6  Favored  13   9  1.09  11  0.68  molprobity     1  True   
440  440  t         -90.9   174.1  Favored   5   6  0.85   8  0.65  molprobity     1  True   
441  441  m-20      -58.5   -35.3  Favored   6   8  0.53  11  0.28  molprobity     1  True   
442  442  m-20      -80.5     5.5  Favored   4   8  0.52  11  0.83  molprobity     1  True   
443  443  ?          91.2     7.2  Favored   3   4  0.74   5  0.44  molprobity     1  True   
444  444  mmt180    -77.6   126.8  Favored  13  11  0.80  14  0.76  molprobity     1  True   
445  445  m-85     -104.7   135.5  Favored   9  12  0.83  16  0.94  molprobity     1  True   
446  446  m-85     -118.8   133.2  Favored   9  13  0.97  18  0.77  molprobity     1  True   
447  447  tt        -90.6   133.5  Favored  11   8  0.62  11  0.68  molprobity     1  True   
448  448  ?        -149.9   170.4  Favored   3   4  1.29   5  0.59  molprobity     1  True   
449  449  m        -107.8   130.1  Favored   7   7  0.73  10  0.65  molprobity     1  True   
450  450  mt        -73.4   132.8  Favored  11   8  0.59  11  0.62  molprobity     1  True   
451  451  OUTLIER  -114.7   -28.3  Favored  11   8  0.47  11  0.86  molprobity     1  True   
452  452  t70      -151.7   157.9  Favored   4   8  0.62  11  0.87  molprobity     1  True   
453  453  pt20     -141.7   145.7  Favored   8   9  0.63  12  0.44  molprobity     1  True   
454  454  p        -121.3  -176.0  Favored   7   7  1.07  10  0.79  molprobity     1  True   
455  455  t         -77.5   -25.0  Favored   5   6  0.90   8  0.45  molprobity     1  True   
456  456  m-20     -100.2   -34.2  Favored   4   8  0.47  11  0.89  molprobity     1  True   
457  457  mt-30    -138.7   173.4  Favored   8   9  0.59  12  0.58  molprobity     1  True   
458  458  m-85     -131.9   135.0  Favored   9  13  0.86  18  0.96  molprobity     1  True   
459  459  tp        -87.3   117.6  Favored  11   8  0.95  11  0.63  molprobity     1  True   
460  460  mm       -111.0   133.5  Favored  11   8  0.66  11  0.50  molprobity     1  True   
461  461  ttm180   -107.6   116.1  Favored  13  11  1.21  14  0.67  molprobity     1  True   
462  462  m-85      -83.4   178.0  Favored   9  12  0.62  16  0.44  molprobity     1  True   
463  463  t70       -63.1   -29.0  Favored   4   8  0.35  11  0.53  molprobity     1  True   
464  464  p-10      -85.1    11.8  Favored   4   8  0.16  11  0.82  molprobity     1  True   
465  465  mt-30      70.8     8.4  Favored   8   9  0.62  12  0.58  molprobity     1  True   
466  466  p         -77.2   146.0  Favored   5   6  0.84   8  0.37  molprobity     1  True   
467  467  mt-10    -114.4   130.6  Favored   6   9  0.97  12  0.77  molprobity     1  True   
468  468  tt0      -139.8   141.7  Favored   8   9  0.44  12  0.34  molprobity     1  True   
469  469  m95       -89.3   110.3  Favored  10  16  0.57  23  0.42  molprobity     1  True   
470  470  m        -115.1   147.1  Favored   5   6  0.70   8  0.68  molprobity     1  True   
471  471  mt-10     -70.3   149.0  Favored   6   9  0.90  13  0.90  molprobity     1  True   
472  472  Cg_exo    -55.9   -28.3  Favored   7   8  0.40  11  0.62  molprobity     1  True   
473  473  t70       -73.0   -27.0  Favored   4   8  0.68  11  0.70  molprobity     1  True   
474  474  mmtm      -78.7   -17.7  Favored  13   9  0.65  11  0.78  molprobity     1  True   
475  475  mt        -92.4   140.3  Favored  11   8  1.08  11  0.60  molprobity     1  True   
476  476  mmt180   -138.8   136.9  Favored  13  11  0.80  14  0.62  molprobity     1  True   
477  477  OUTLIER   -71.1   153.9  Favored  13   9  0.58  11  0.82  molprobity     1  True   
478  478  mt        -83.2   -33.4  Favored  11   8  0.45  11  0.58  molprobity     1  True   
479  479  ?        -119.1    48.6  Allowed   3   4  0.94   5  0.29  molprobity     ?  False  
480  480  ?          81.2   -69.4  Favored   3   4  0.93   5  0.26  molprobity     ?  False  
481  481  ?        -127.5  -167.8  Favored   3   4  1.32   5  0.46  molprobity     ?  False  
482  482  m        -119.8   139.2  Favored   5   6  0.97   8  0.33  molprobity     ?  False  
483  483  m             ?       ?  ?         5   6  1.24   5  0.80  molprobity     ?  False  
484  484  ?             ?       ?  ?         2   4  0.52   5  1.05  molprobity     ?  False  
485  485  ?          45.9    85.1  OUTLIER   5   5  0.81   7  0.65  molprobity     ?  False  
486  486  ptm       -76.5   140.5  Favored   9   8  0.67  10  0.48  molprobity     ?  False  
487  487  ?        -122.1   104.0  Favored   5   5  0.64   8  0.70  molprobity     ?  False  
488  488  Cg_endo   -77.9   111.9  Favored   7   8  0.53  12  0.39  molprobity     ?  False  
489  489  Cg_exo    -64.9   -48.0  Favored   7   8  0.35  11  0.37  molprobity     ?  False  
490  490  m        -127.0   111.6  Favored   9   7  0.82  10  0.70  molprobity     ?  False  
491  491  ?        -171.8   177.8  Favored   5   5  0.80   7  0.72  molprobity     ?  False  
492  492  ?         -62.6   -52.7  Favored   5   5  0.64   8  1.00  molprobity     ?  False  
493  493  Cg_endo   -89.3   159.4  Favored   7   8  0.97  11  0.31  molprobity     ?  False  
494  494  p        -115.2   160.8  Favored   5   6  0.85   9  0.77  molprobity     ?  False  
495  495  Cg_endo   -63.3   138.6  Favored   7   8  0.33  11  0.53  molprobity     ?  False  
496  496  ?          58.4    83.9  Allowed   5   5  0.66   7  0.91  molprobity     ?  False  
497  497  m         -85.4   166.2  Favored   9   7  0.84  10  0.72  molprobity     ?  False  
498  498  p        -104.2   155.6  Favored   7   7  0.93  10  0.58  molprobity     1  True   
499  499  m-85     -131.4   158.9  Favored   9  13  0.86  18  0.52  molprobity     1  True   
500  500  ?        -117.0   152.3  Favored   5   5  0.36   7  0.24  molprobity     1  True   
501  501  mt        -64.9   158.4  Favored  11   8  0.38  11  0.59  molprobity     1  True   
502  502  mt-30      70.3     1.5  Favored   8   9  0.58  12  0.45  molprobity     1  True   
503  503  tp10      -88.6   141.3  Favored   6   9  0.70  12  0.65  molprobity     1  True   
504  504  m-20      -97.2   128.3  Favored   4   8  0.85  11  0.72  molprobity     1  True   
505  505  m        -143.7   155.7  Favored   9   7  0.60  10  0.75  molprobity     1  True   
506  506  m-85      -87.9   139.9  Favored   9  12  0.37  16  0.53  molprobity     1  True   
507  507  mp       -122.0   123.6  Favored  11   8  1.04  11  0.85  molprobity     1  True   
508  508  tttt      -85.6   124.0  Favored  13   9  1.00  11  0.42  molprobity     1  True   
509  509  p         -90.9   174.5  Favored   5   6  0.69   8  0.41  molprobity     1  True   
510  510  t30       -59.7   -30.6  Favored   6   8  0.55  11  0.16  molprobity     1  True   
511  511  t70       -74.7   -11.4  Favored   4   8  0.38  11  0.66  molprobity     1  True   
512  512  ?          97.2    -1.4  Favored   3   4  0.57   5  0.23  molprobity     1  True   
513  513  mmt180    -81.9   145.4  Favored  13  11  0.60  14  0.43  molprobity     1  True   
514  514  m-85     -105.5   129.7  Favored   9  12  0.88  16  0.83  molprobity     1  True   
515  515  m-85     -115.3   127.7  Favored   9  13  0.68  18  0.36  molprobity     1  True   
516  516  tp        -84.0   120.5  Favored  11   8  0.53  11  0.42  molprobity     1  True   
517  517  ?        -142.6   174.2  Favored   3   4  0.79   5  0.49  molprobity     1  True   
518  518  m        -109.4   134.8  Favored   7   7  0.54  10  0.61  molprobity     1  True   
519  519  mt        -75.9   129.9  Favored  11   8  0.41  11  0.59  molprobity     1  True   
520  520  OUTLIER  -109.7   -30.6  Favored  11   8  0.36  11  0.88  molprobity     1  True   
521  521  t0       -147.4   158.2  Favored   4   8  0.73  11  0.80  molprobity     1  True   
522  522  pt20     -140.7   144.5  Favored   8   9  0.85  12  0.40  molprobity     1  True   
523  523  p        -115.8  -165.6  Allowed   7   7  0.93  10  0.74  molprobity     1  True   
524  524  m         -75.5   -22.1  Favored   5   6  0.77   8  0.48  molprobity     1  True   
525  525  t70      -121.7   -38.8  Favored   4   8  0.81  11  0.42  molprobity     1  True   
526  526  mt-30    -107.5   164.1  Favored   8   9  0.80  12  0.61  molprobity     1  True   
527  527  m-85     -131.2   131.4  Favored   9  13  0.83  18  0.76  molprobity     1  True   
528  528  tp        -86.4   116.7  Favored  11   8  0.90  11  0.58  molprobity     1  True   
529  529  mm       -110.5   132.3  Favored  11   8  0.61  11  0.53  molprobity     1  True   
530  530  ttp180   -102.3   116.5  Favored  13  11  1.07  14  0.71  molprobity     1  True   
531  531  m-85      -85.9   177.6  Favored   9  12  0.67  16  0.39  molprobity     1  True   
532  532  t70       -67.2   -19.3  Favored   4   8  0.30  11  0.78  molprobity     1  True   
533  533  m-20      -84.2     7.2  Favored   4   8  0.42  11  0.90  molprobity     1  True   
534  534  mm-40      64.0    21.6  Favored   8   9  0.58  12  0.51  molprobity     1  True   
535  535  t         -91.0   145.3  Favored   5   6  0.97   8  0.58  molprobity     1  True   
536  536  mt-10    -118.3   127.9  Favored   6   9  0.81  12  0.60  molprobity     1  True   
537  537  mt-30    -134.6   145.6  Favored   8   9  0.41  12  0.59  molprobity     1  True   
538  538  m95       -89.0   115.7  Favored  10  16  0.66  23  0.39  molprobity     1  True   
539  539  m        -121.1   143.6  Favored   5   6  0.91   8  0.62  molprobity     1  True   
540  540  mp0       -75.4   156.9  Favored   6   9  0.83  13  0.65  molprobity     1  True   
541  541  Cg_endo   -64.6   -23.1  Favored   7   8  0.56  11  0.40  molprobity     1  True   
542  542  p-10      -73.6   -18.7  Favored   4   8  0.37  11  0.70  molprobity     1  True   
543  543  mmtm      -87.9   -14.4  Favored  13   9  0.83  11  0.57  molprobity     1  True   
544  544  mt        -98.9   138.4  Favored  11   8  1.13  11  0.58  molprobity     1  True   
545  545  mmm180   -132.9   138.5  Favored  13  11  0.68  14  0.86  molprobity     1  True   
546  546  OUTLIER   -73.1   149.6  Favored  13   9  0.60  11  0.84  molprobity     1  True   
547  547  mt        -80.9   -33.4  Favored  11   8  0.46  11  0.41  molprobity     1  True   
548  548  ?        -144.5   149.8  Favored   3   4  1.59   5  0.76  molprobity     ?  False  
549  549  ?          90.9  -100.1  Favored   3   4  1.32   5  0.69  molprobity     ?  False  
550  550  ?         117.1   -55.7  Allowed   3   4  1.16   5  0.63  molprobity     ?  False  
551  551  m         -76.1   -21.4  Favored   5   6  0.87   8  0.90  molprobity     ?  False  
552  552  m             ?       ?  ?         5   6  1.17   5  1.02  molprobity     ?  False  
553  553  ?             ?       ?  ?         2   4  0.70   5  0.79  molprobity     ?  False  
554  554  ?          63.5    90.2  Allowed   5   5  0.41   7  0.94  molprobity     ?  False  
555  555  tpt        65.9    25.2  Favored   9   8  0.67  10  0.78  molprobity     ?  False  
556  556  ?        -132.9   122.7  Favored   5   5  0.45   8  0.74  molprobity     ?  False  
557  557  Cg_endo   -58.7   120.5  Favored   7   8  0.64  12  0.50  molprobity     ?  False  
558  558  Cg_exo    -64.4   -46.2  Favored   7   8  0.40  11  0.50  molprobity     ?  False  
559  559  t        -101.4   152.5  Favored   9   7  0.61  10  0.69  molprobity     ?  False  
560  560  ?         -48.4   119.6  Favored   5   5  0.78   7  0.49  molprobity     ?  False  
561  561  ?        -146.3   174.5  Favored   5   5  0.84   8  0.78  molprobity     ?  False  
562  562  Cg_endo   -55.9  -179.4  OUTLIER   7   8  0.89  11  0.56  molprobity     ?  False  
563  563  t         -77.0   125.8  Favored   5   6  1.00   9  0.65  molprobity     ?  False  
564  564  Cg_endo   -66.1   137.9  Favored   7   8  0.71  11  0.39  molprobity     ?  False  
565  565  ?        -109.7    88.6  Favored   5   5  1.18   7  0.83  molprobity     ?  False  
566  566  m         -89.1   158.0  Favored   9   7  1.25  10  0.85  molprobity     ?  False  
567  567  p        -126.0   155.9  Favored   7   7  1.08  10  0.49  molprobity     1  True   
568  568  m-85     -139.9   151.3  Favored   9  13  0.94  18  0.41  molprobity     1  True   
569  569  ?        -107.4   150.6  Favored   5   5  0.37   7  0.25  molprobity     1  True   
570  570  mt        -65.5   155.9  Favored  11   8  0.35  11  0.72  molprobity     1  True   
571  571  mt-30      67.8    17.0  Favored   8   9  0.57  12  0.41  molprobity     1  True   
572  572  tp10     -101.5   142.0  Favored   6   9  0.78  12  0.73  molprobity     1  True   
573  573  m-20      -94.0   125.5  Favored   4   8  0.67  11  0.87  molprobity     1  True   
574  574  m        -142.3   152.4  Favored   9   7  0.50  10  0.74  molprobity     1  True   
575  575  m-85      -84.9   139.4  Favored   9  12  0.35  16  0.58  molprobity     1  True   
576  576  mp       -122.7   124.3  Favored  11   8  1.03  11  0.83  molprobity     1  True   
577  577  tttt      -89.1   127.6  Favored  13   9  0.93  11  0.40  molprobity     1  True   
578  578  t         -88.5   164.8  Favored   5   6  0.77   8  0.58  molprobity     1  True   
579  579  t-20      -60.0   -21.9  Favored   6   8  0.54  11  0.31  molprobity     1  True   
580  580  t70       -79.6   -11.9  Favored   4   8  0.46  11  0.68  molprobity     1  True   
581  581  ?         103.1    -9.3  Favored   3   4  0.80   5  0.29  molprobity     1  True   
582  582  mpt_?     -78.0   144.8  Favored  13  11  0.57  14  0.93  molprobity     1  True   
583  583  m-85     -104.4   131.5  Favored   9  12  0.99  16  0.89  molprobity     1  True   
584  584  m-85     -117.0   128.2  Favored   9  13  0.75  18  0.39  molprobity     1  True   
585  585  tp        -86.0   115.0  Favored  11   8  0.58  11  0.54  molprobity     1  True   
586  586  ?        -130.6   170.2  Favored   3   4  1.25   5  0.55  molprobity     1  True   
587  587  m        -113.1   128.4  Favored   7   7  0.75  10  0.56  molprobity     1  True   
588  588  mt        -72.7   134.1  Favored  11   8  0.50  11  0.60  molprobity     1  True   
589  589  OUTLIER  -113.8   -30.3  Favored  11   8  0.31  11  0.81  molprobity     1  True   
590  590  t0       -148.7   157.0  Favored   4   8  0.69  11  0.48  molprobity     1  True   
591  591  OUTLIER  -136.2   142.6  Favored   8   9  1.01  12  0.87  molprobity     1  True   
592  592  p        -117.0  -176.6  Favored   7   7  1.19  10  0.90  molprobity     1  True   
593  593  m         -77.0   -22.3  Favored   5   6  0.73   8  0.64  molprobity     1  True   
594  594  m-20     -114.7   -23.6  Favored   4   8  0.30  11  0.90  molprobity     1  True   
595  595  mt-30    -136.9   160.1  Favored   8   9  0.66  12  0.53  molprobity     1  True   
596  596  m-85     -123.6   134.8  Favored   9  13  0.70  18  0.66  molprobity     1  True   
597  597  tp        -88.2   115.2  Favored  11   8  0.91  11  0.60  molprobity     1  True   
598  598  mm       -110.5   131.6  Favored  11   8  0.60  11  0.54  molprobity     1  True   
599  599  ttt85    -102.6   116.2  Favored  13  11  1.29  14  0.67  molprobity     1  True   
600  600  m-85      -81.4   178.2  Favored   9  12  0.93  16  0.59  molprobity     1  True   
601  601  t70       -64.0   -30.2  Favored   4   8  0.34  11  0.72  molprobity     1  True   
602  602  t70       -84.6    12.1  Favored   4   8  0.38  11  1.01  molprobity     1  True   
603  603  mm-40      67.9     8.1  Favored   8   9  0.67  12  0.47  molprobity     1  True   
604  604  m         -80.8   141.8  Favored   5   6  0.72   8  0.37  molprobity     1  True   
605  605  mt-10    -115.6   122.0  Favored   6   9  0.84  12  0.73  molprobity     1  True   
606  606  tp60     -135.8   146.6  Favored   8   9  0.55  12  0.41  molprobity     1  True   
607  607  m95       -88.9   113.0  Favored  10  16  0.65  23  0.42  molprobity     1  True   
608  608  m        -116.9   154.5  Favored   5   6  0.86   8  0.60  molprobity     1  True   
609  609  mt-10     -71.0   149.2  Favored   6   9  0.69  13  0.93  molprobity     1  True   
610  610  Cg_exo    -60.5   -26.2  Favored   7   8  0.52  11  0.90  molprobity     1  True   
611  611  t70       -62.7   -30.9  Favored   4   8  0.41  11  0.72  molprobity     1  True   
612  612  mmtm      -90.1   -10.9  Favored  13   9  0.83  11  0.43  molprobity     1  True   
613  613  mt        -93.7   139.1  Favored  11   8  1.11  11  0.54  molprobity     1  True   
614  614  mmm180   -132.8   131.7  Favored  13  11  0.40  14  0.65  molprobity     1  True   
615  615  OUTLIER   -68.1   133.2  Favored  13   9  0.66  11  0.82  molprobity     1  True   
616  616  mt        -72.4   -34.4  Favored  11   8  0.48  11  0.79  molprobity     1  True   
617  617  ?        -110.8    25.2  Favored   3   4  1.02   5  0.30  molprobity     ?  False  
618  618  ?          80.6   -60.8  Favored   3   4  0.57   5  0.22  molprobity     ?  False  
619  619  ?        -129.6   130.4  Favored   3   4  1.29   5  0.77  molprobity     ?  False  
620  620  p        -164.4    44.8  Allowed   5   6  0.64   8  1.22  molprobity     ?  False  
621  621  m             ?       ?  ?         5   6  1.17   5  1.08  molprobity     ?  False  
622  622  ?             ?       ?  ?         2   4  0.53   5  0.90  molprobity     ?  False  
623  623  ?          65.8   151.3  Allowed   5   5  0.85   7  0.74  molprobity     ?  False  
624  624  ptt?     -136.2   168.4  Favored   9   8  0.87  10  0.59  molprobity     ?  False  
625  625  ?        -135.3   150.9  Favored   5   5  0.84   8  0.78  molprobity     ?  False  
626  626  Cg_endo   -61.6   125.9  Favored   7   8  0.68  12  0.61  molprobity     ?  False  
627  627  Cg_exo    -50.2   -54.5  Favored   7   8  0.52  11  0.35  molprobity     ?  False  
628  628  t        -103.2   130.7  Favored   9   7  0.79  10  0.71  molprobity     ?  False  
629  629  ?         -78.2    84.8  Favored   5   5  0.75   7  0.86  molprobity     ?  False  
630  630  ?        -150.0   -53.2  OUTLIER   5   5  1.17   8  0.81  molprobity     ?  False  
631  631  Cg_endo   -64.4   166.4  Favored   7   8  0.86  11  0.48  molprobity     ?  False  
632  632  m         -87.4   133.9  Favored   5   6  0.74   9  0.71  molprobity     ?  False  
633  633  Cg_exo    -63.6   148.8  Favored   7   8  0.64  11  0.33  molprobity     ?  False  
634  634  ?        -150.6  -168.7  Favored   5   5  1.52   7  0.75  molprobity     ?  False  
635  635  m         -76.0   157.9  Favored   9   7  0.85  10  0.40  molprobity     ?  False  
636  636  t        -138.2   155.1  Favored   7   7  1.06  10  0.65  molprobity     1  True   
637  637  m-85     -138.4   155.5  Favored   9  13  0.89  18  0.35  molprobity     1  True   
638  638  ?        -110.1   163.6  Favored   5   5  0.62   7  0.38  molprobity     1  True   
639  639  mt        -66.2   159.2  Favored  11   8  0.18  11  0.55  molprobity     1  True   
640  640  mt-30      69.3     6.5  Favored   8   9  0.75  12  0.46  molprobity     1  True   
641  641  tp10      -87.3   130.9  Favored   6   9  0.77  12  0.87  molprobity     1  True   
642  642  m-20      -92.4   125.4  Favored   4   8  0.80  11  0.71  molprobity     1  True   
643  643  m        -143.4   157.6  Favored   9   7  0.79  10  0.79  molprobity     1  True   
644  644  m-85      -89.4   139.4  Favored   9  12  0.71  16  0.54  molprobity     1  True   
645  645  mp       -122.9   124.5  Favored  11   8  1.13  11  0.87  molprobity     1  True   
646  646  tttt      -90.2   128.9  Favored  13   9  1.09  11  0.30  molprobity     1  True   
647  647  t         -97.0   172.3  Favored   5   6  0.72   8  0.70  molprobity     1  True   
648  648  t30       -66.3   -18.0  Favored   6   8  0.53  11  0.42  molprobity     1  True   
649  649  p30       -72.5   -11.9  Favored   4   8  0.53  11  0.56  molprobity     1  True   
650  650  ?          89.2     6.8  Favored   3   4  0.79   5  0.42  molprobity     1  True   
651  651  mpt_?     -97.0   158.3  Favored  13  11  0.53  14  0.89  molprobity     1  True   
652  652  m-85     -105.6   129.1  Favored   9  12  1.05  16  0.88  molprobity     1  True   
653  653  m-85     -115.4   124.7  Favored   9  13  0.77  18  0.41  molprobity     1  True   
654  654  tp        -86.0   120.6  Favored  11   8  0.48  11  0.51  molprobity     1  True   
655  655  ?        -139.1   170.5  Favored   3   4  0.98   5  0.49  molprobity     1  True   
656  656  m        -108.6   130.5  Favored   7   7  0.68  10  0.58  molprobity     1  True   
657  657  mt        -71.1   131.7  Favored  11   8  0.51  11  0.53  molprobity     1  True   
658  658  OUTLIER  -110.4   -32.2  Favored  11   8  0.48  11  0.79  molprobity     1  True   
659  659  t70      -147.8   151.9  Favored   4   8  0.91  11  0.67  molprobity     1  True   
660  660  OUTLIER  -132.5   164.3  Favored   8   9  1.08  12  0.82  molprobity     1  True   
661  661  p        -142.2  -178.3  Favored   7   7  1.01  10  0.77  molprobity     1  True   
662  662  p         -74.5   -13.3  Favored   5   6  0.66   8  0.65  molprobity     1  True   
663  663  m-20     -132.7   -20.7  Favored   4   8  0.48  11  0.66  molprobity     1  True   
664  664  OUTLIER  -134.7   163.4  Favored   8   9  0.66  12  0.74  molprobity     1  True   
665  665  m-85     -131.4   131.6  Favored   9  13  0.75  18  0.88  molprobity     1  True   
666  666  tp        -89.0   113.8  Favored  11   8  0.88  11  0.52  molprobity     1  True   
667  667  mm       -110.1   135.2  Favored  11   8  0.41  11  0.54  molprobity     1  True   
668  668  ttp180   -103.4   116.7  Favored  13  11  1.14  14  0.61  molprobity     1  True   
669  669  m-85      -88.5   178.6  Favored   9  12  0.66  16  0.48  molprobity     1  True   
670  670  t70       -66.4   -22.9  Favored   4   8  0.30  11  0.74  molprobity     1  True   
671  671  t70       -84.6     7.9  Favored   4   8  0.66  11  0.90  molprobity     1  True   
672  672  mm100      67.8     8.2  Favored   8   9  0.64  12  0.54  molprobity     1  True   
673  673  m         -83.0   148.3  Favored   5   6  0.66   8  0.47  molprobity     1  True   
674  674  mt-10    -114.5   137.0  Favored   6   9  0.65  12  0.67  molprobity     1  True   
675  675  tp60     -146.2   143.5  Favored   8   9  0.43  12  0.42  molprobity     1  True   
676  676  m95       -88.6   112.5  Favored  10  16  0.87  23  0.44  molprobity     1  True   
677  677  m        -115.0   154.2  Favored   5   6  0.93   8  0.63  molprobity     1  True   
678  678  mt-10     -73.4   151.6  Favored   6   9  0.93  13  1.04  molprobity     1  True   
679  679  Cg_exo    -60.2   -22.7  Favored   7   8  0.38  11  0.83  molprobity     1  True   
680  680  t70       -62.8   -33.2  Favored   4   8  0.65  11  0.62  molprobity     1  True   
681  681  mmtm      -89.6   -14.4  Favored  13   9  0.64  11  0.40  molprobity     1  True   
682  682  mt        -92.6   134.3  Favored  11   8  1.10  11  0.51  molprobity     1  True   
683  683  mmt85    -131.2   138.9  Favored  13  11  0.62  14  0.65  molprobity     1  True   
684  684  OUTLIER   -71.2   150.2  Favored  13   9  0.48  11  0.76  molprobity     1  True   
685  685  mt        -81.5   -32.8  Favored  11   8  0.37  11  0.49  molprobity     1  True   
686  686  ?        -104.5  -113.0  Favored   3   4  0.89   5  0.21  molprobity     ?  False  
687  687  ?         -72.6    95.2  Allowed   3   4  1.08   5  0.32  molprobity     ?  False  
688  688  ?         142.2    34.3  Allowed   3   4  1.27   5  0.46  molprobity     ?  False  
689  689  t         -87.9   109.3  Favored   5   6  1.28   8  0.71  molprobity     ?  False  
690  690  m             ?       ?  ?         5   6  1.07   5  0.65  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1    5  HD2    1  0.48  1.85  
  2    5  HD2    2  0.40  2.46  
  3    5  CD     3  0.47  2.40  
  4   12  HD2    1  0.48  1.85  
  5   12  HD2    3  0.47  2.40  
  6   12  CD     2  0.40  2.46  
  7   15  HA     4  0.45  2.11  
  8   24  HA     5  0.45  2.12  
  9   25  HB2    6  0.44  2.48  
 10   31  CZ     6  0.44  2.48  
 11   36  HG12   7  0.41  2.45  
 12   37  HD11   8  0.52  1.82  
 13   37  HD12   9  0.51  1.82  
 14   44  OH     4  0.45  2.11  
 15   45  HG     8  0.52  1.82  
 16   46  O     10  0.46  2.10  
 17   46  CD1    7  0.41  2.45  
 18   47  HB2    9  0.51  1.82  
 19   53  HA    10  0.46  2.10  
 20   58  HA    11  0.55  1.79  
 21   60  O      5  0.45  2.12  
 22   61  HD12  11  0.55  1.79  
 23   61  O     12  0.41  2.14  
 24   62  HD2   12  0.41  2.14  
 25   74  HD2   13  0.50  2.07  
 26   81  O     13  0.50  2.07  
 27  105  HG12  14  0.41  2.46  
 28  106  HD12  15  0.57  1.76  
 29  106  HD11  16  0.49  1.84  
 30  114  HG    16  0.49  1.84  
 31  115  CD1   14  0.41  2.46  
 32  116  HB2   15  0.57  1.76  
 33  127  HA    17  0.48  1.84  
 34  130  HD12  17  0.48  1.84  
 35  132  HG2   18  0.43  2.13  
 36  135  O     18  0.43  2.13  
 37  161  HB3   19  0.41  2.50  
 38  166  OD2   20  0.54  2.03  
 39  168  HD3   20  0.54  2.03  
 40  169  CD1   19  0.41  2.50  
 41  174  HG12  21  0.43  2.43  
 42  175  HD12  22  0.66  1.68  
 43  175  HD11  23  0.51  1.82  
 44  183  HG    23  0.51  1.82  
 45  184  O     24  0.48  2.09  
 46  184  CD1   21  0.43  2.43  
 47  185  HB2   22  0.66  1.68  
 48  191  HA    24  0.48  2.09  
 49  196  HA    25  0.50  1.83  
 50  199  HD12  25  0.50  1.83  
 51  232  O     26  0.46  2.10  
 52  244  HD12  27  0.58  1.76  
 53  244  HD11  28  0.49  1.84  
 54  249  O     29  0.48  2.09  
 55  252  HG    28  0.49  1.84  
 56  253  O     30  0.44  2.13  
 57  253  HD11  31  0.41  1.92  
 58  254  HB2   27  0.58  1.76  
 59  260  HA    30  0.44  2.13  
 60  265  HA    32  0.51  1.81  
 61  265  HD3   29  0.48  2.09  
 62  267  HD2   26  0.46  2.10  
 63  268  HD12  32  0.51  1.81  
 64  268  HD21  31  0.41  1.92  
 65  292  CE1   33  0.45  2.46  
 66  292  HB3   34  0.40  2.46  
 67  299  HB3   35  0.41  2.51  
 68  299  C     36  0.40  2.37  
 69  300  HD12  36  0.40  2.37  
 70  301  HA    37  0.43  2.13  
 71  306  O     37  0.43  2.13  
 72  307  CD1   35  0.41  2.51  
 73  312  HG12  38  0.43  2.43  
 74  312  CD1   34  0.40  2.46  
 75  313  HD12  39  0.41  1.92  
 76  322  CD1   38  0.43  2.43  
 77  322  O     40  0.42  2.14  
 78  323  HB2   39  0.41  1.92  
 79  329  HA    40  0.42  2.14  
 80  334  HA    41  0.54  1.79  
 81  337  HD12  41  0.54  1.79  
 82  339  HD2   33  0.45  2.46  
 83  359  HG11  42  0.45  1.71  
 84  360  HA    43  0.49  2.08  
 85  370  HB2   44  0.44  2.48  
 86  370  HB2   45  0.42  2.50  
 87  376  CZ    44  0.44  2.48  
 88  376  CE1   45  0.42  2.50  
 89  382  HD12  46  0.66  1.68  
 90  382  HD11  47  0.55  1.78  
 91  387  O     48  0.50  2.07  
 92  389  OH    43  0.49  2.08  
 93  390  HG    47  0.55  1.78  
 94  391  O     49  0.46  2.11  
 95  392  HB2   46  0.66  1.68  
 96  392  HA    50  0.40  2.16  
 97  397  O     50  0.40  2.16  
 98  398  HA    49  0.46  2.11  
 99  403  HA    51  0.54  1.79  
100  403  HD3   48  0.50  2.07  
101  406  HD12  51  0.54  1.79  
102  408  HZ1   42  0.45  1.71  
103  430  CE2   52  0.48  2.43  
104  430  HB3   53  0.44  2.42  
105  437  HB3   54  0.51  2.40  
106  437  C     55  0.42  2.35  
107  438  HD12  55  0.42  2.35  
108  439  HB2   56  0.51  2.41  
109  439  HG2   57  0.42  2.15  
110  440  O     57  0.42  2.15  
111  445  CD2   54  0.51  2.40  
112  445  CE2   56  0.51  2.41  
113  450  CD1   53  0.44  2.42  
114  450  HG12  58  0.41  1.93  
115  451  HD12  59  0.64  1.69  
116  451  HD11  60  0.55  1.79  
117  459  HG    60  0.55  1.79  
118  460  HD11  61  0.45  1.88  
119  460  O     62  0.44  2.13  
120  460  HD12  58  0.41  1.93  
121  461  HB2   59  0.64  1.69  
122  461  HA    63  0.47  2.08  
123  466  O     63  0.47  2.08  
124  467  HA    62  0.44  2.13  
125  472  HA    64  0.55  1.78  
126  475  HD12  64  0.55  1.78  
127  475  HD21  61  0.45  1.88  
128  477  HE2   52  0.48  2.43  
129  497  HG23  65  0.46  2.46  
130  499  CE1   65  0.46  2.46  
131  520  HD12  66  0.55  1.78  
132  525  O     67  0.54  2.01  
133  529  O     68  0.43  2.14  
134  529  HD11  69  0.41  1.93  
135  530  HB2   66  0.55  1.78  
136  536  HA    68  0.43  2.14  
137  541  HD3   67  0.54  2.01  
138  541  HA    70  0.54  1.80  
139  544  HD12  70  0.54  1.80  
140  544  O     71  0.42  2.15  
141  544  HD21  69  0.41  1.93  
142  545  HD2   71  0.42  2.15  
143  575  HB3   72  0.48  2.44  
144  577  HB2   73  0.41  2.51  
145  583  CD1   72  0.48  2.44  
146  583  CE1   73  0.41  2.51  
147  589  HD12  74  0.59  1.75  
148  589  HD11  75  0.45  1.89  
149  597  HG    75  0.45  1.89  
150  598  O     76  0.45  2.12  
151  599  HB2   74  0.59  1.75  
152  605  HA    76  0.45  2.12  
153  610  HA    77  0.54  1.78  
154  613  HD12  77  0.54  1.78  
155  644  HB3   78  0.44  2.47  
156  644  C     79  0.40  2.37  
157  645  HD12  79  0.40  2.37  
158  652  CD1   78  0.44  2.47  
159  658  HD12  80  0.47  1.84  
160  667  O     81  0.43  2.14  
161  668  HB2   80  0.47  1.84  
162  674  HA    81  0.43  2.14  
163  679  HA    82  0.52  1.81  
164  682  HD12  82  0.52  1.81  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2        ?     
 2  1        ?     
 3  1        True  
 4  1        ?     
 5  1        ?     
 6  1        ?     
 7  outlier  ?     
 8  1        ?     
 9  2        True  
10  2        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  50
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.260
_pdbx_vrpt_cyrange_domain.medoid_model        3
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.317
_pdbx_vrpt_cyrange_domain.residue_string      A:21-A:70
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           3
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           728
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           728
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            728
_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  ALA   8  0.207  
 2  A  MET   9  0.185  
 3  A  ALA  10  0.155  
 4  A  PRO  11  0.136  
 5  A  PRO  12  0.171  
 6  A  VAL  13  0.195  
 7  A  ALA  14  0.216  
 8  A  ALA  15  0.178  
 9  A  PRO  16  0.175  
10  A  SER  17  0.195  
11  A  PRO  18  0.216  
12  A  ALA  19  0.192  
13  A  VAL  20  0.121  
14  A  THR  21  0.065  
15  A  TYR  22  0.035  
16  A  ALA  23  0.023  
17  A  LEU  24  0.023  
18  A  GLN  25  0.023  
19  A  GLU  26  0.023  
20  A  ASP  27  0.018  
21  A  VAL  28  0.014  
22  A  PHE  29  0.013  
23  A  ILE  30  0.016  
24  A  LYS  31  0.024  
25  A  CYS  32  0.032  
26  A  ASN  33  0.039  
27  A  ASP  34  0.054  
28  A  GLY  35  0.054  
29  A  ARG  36  0.048  
30  A  PHE  37  0.030  
31  A  TYR  38  0.025  
32  A  LEU  39  0.025  
33  A  GLY  40  0.028  
34  A  THR  41  0.031  
35  A  ILE  42  0.039  
36  A  ILE  43  0.038  
37  A  ASP  44  0.035  
38  A  GLN  45  0.026  
39  A  THR  46  0.027  
40  A  SER  47  0.025  
41  A  ASP  48  0.024  
42  A  GLN  49  0.020  
43  A  TYR  50  0.018  
44  A  LEU  51  0.016  
45  A  ILE  52  0.016  
46  A  ARG  53  0.017  
47  A  PHE  54  0.025  
48  A  ASP  55  0.027  
49  A  ASP  56  0.036  
50  A  GLN  57  0.029  
51  A  SER  58  0.029  
52  A  GLU  59  0.019  
53  A  GLN  60  0.024  
54  A  TRP  61  0.027  
55  A  CYS  62  0.032  
56  A  GLU  63  0.031  
57  A  PRO  64  0.031  
58  A  ASP  65  0.030  
59  A  LYS  66  0.030  
60  A  LEU  67  0.027  
61  A  ARG  68  0.030  
62  A  LYS  69  0.046  
63  A  LEU  70  0.082  
64  A  GLY  71  0.131  
65  A  GLY  72  0.175  
66  A  GLY  73  0.237  
67  A  SER  74  0.289  
68  A  SER  75  0.330  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        LEU
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    51
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  HB3
_pdbx_vrpt_chemical_shift_outlier.value          -1.470
_pdbx_vrpt_chemical_shift_outlier.zscore         -8.400
_pdbx_vrpt_chemical_shift_outlier.prediction     -0.26~3.31
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00   0  
2  CA  0.50  0.22  0.06  68  
3  CB  0.50  0.31  0.34  62  
4  N   0.50  0.46  0.11  61  
#
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    6    6  stereomethyl  stereomethyl  
 2  578  131  709  overall       Total         
 3  198   52  250  backbone      Total         
 4  338   52  390  sidechain     Total         
 5   42   27   69  aromatic      Total         
 6  350   32  382  overall       H             
 7  100    1  101  backbone      H             
 8  229   19  248  sidechain     H             
 9   21   12   33  aromatic      H             
10  175   84  259  overall       C             
11   50   50  100  backbone      C             
12  105   19  124  sidechain     C             
13   20   15   35  aromatic      C             
14   53   15   68  overall       N             
15   48    1   49  backbone      N             
16    4   14   18  sidechain     N             
17    1    0    1  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    8    8  stereomethyl  stereomethyl  
 2  728  167  895  overall       Total         
 3  262   79  341  backbone      Total         
 4  424   61  485  sidechain     Total         
 5   42   27   69  aromatic      Total         
 6  442   44  486  overall       H             
 7  133    6  139  backbone      H             
 8  288   26  314  sidechain     H             
 9   21   12   33  aromatic      H             
10  220  106  326  overall       C             
11   68   70  138  backbone      C             
12  132   21  153  sidechain     C             
13   20   15   35  aromatic      C             
14   66   17   83  overall       N             
15   61    3   64  backbone      N             
16    4   14   18  sidechain     N             
17    1    0    1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    1583  
 2  "Intra-residue (|i-j|=0)"                       304  
 3  "Sequential (|i-j|=1)"                          333  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            165  
 5  "Long range (|i-j|>=5)"                         781  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             22.9  
12  "Number of long range restraints per residue"  11.3  
#
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                  304   19.2  0  0.0  0.0   0  0.0  0.0  
 2  Intra-residue  BackboneBackbone       3    0.2  0  0.0  0.0   0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    209   13.2  0  0.0  0.0   0  0.0  0.0  
 4  Intra-residue  SidechainSidechain    92    5.8  0  0.0  0.0   0  0.0  0.0  
 5  Sequential     all                  333   21.0  0  0.0  0.0   5  0.3  1.5  
 6  Sequential     BackboneBackbone      74    4.7  0  0.0  0.0   1  0.1  1.4  
 7  Sequential     BackboneSidechain    208   13.1  0  0.0  0.0   0  0.0  0.0  
 8  Sequential     SidechainSidechain    51    3.2  0  0.0  0.0   4  0.3  7.8  
 9  MediumRange    all                  165   10.4  0  0.0  0.0   1  0.1  0.6  
10  MediumRange    BackboneBackbone      19    1.2  0  0.0  0.0   0  0.0  0.0  
11  MediumRange    BackboneSidechain     69    4.4  0  0.0  0.0   1  0.1  1.4  
12  MediumRange    SidechainSidechain    77    4.9  0  0.0  0.0   0  0.0  0.0  
13  LongRange      all                  781   49.3  0  0.0  0.0  14  0.9  1.8  
14  LongRange      BackboneBackbone      44    2.8  0  0.0  0.0   0  0.0  0.0  
15  LongRange      BackboneSidechain    263   16.6  0  0.0  0.0   8  0.5  3.0  
16  LongRange      SidechainSidechain   474   29.9  0  0.0  0.0   6  0.4  1.3  
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                 1583  100.0  0  0.0  0.0  20  1.3  1.3  
24  Total          BackboneBackbone     140    8.8  0  0.0  0.0   1  0.1  0.7  
25  Total          BackboneSidechain    749   47.3  0  0.0  0.0   9  0.6  1.2  
26  Total          SidechainSidechain   694   43.8  0  0.0  0.0  10  0.6  1.4  
#
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  0.19  0.14  0.13  0.03  
 2   2  0.17  0.13  0.13  0.02  
 3   3  0.14  0.12  0.12  0.01  
 4   4  0.17  0.14  0.14  0.02  
 5   5  0.16  0.14  0.15  0.01  
 6   6  0.14  0.12  0.12  0.01  
 7   7  0.16  0.12  0.12  0.02  
 8   8  0.14  0.13  0.13  0.01  
 9   9  0.17  0.14  0.13  0.02  
10  10  0.17  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    0  
 3   1  medium        1  
 4   1  long          3  
 5   1  interchain    0  
 6   1  total         4  
 7   2  intraresidue  0  
 8   2  sequential    2  
 9   2  medium        0  
10   2  long          6  
11   2  interchain    0  
12   2  total         8  
13   3  intraresidue  0  
14   3  sequential    1  
15   3  medium        0  
16   3  long          5  
17   3  interchain    0  
18   3  total         6  
19   4  intraresidue  0  
20   4  sequential    1  
21   4  medium        0  
22   4  long          4  
23   4  interchain    0  
24   4  total         5  
25   5  intraresidue  0  
26   5  sequential    1  
27   5  medium        0  
28   5  long          3  
29   5  interchain    0  
30   5  total         4  
31   6  intraresidue  0  
32   6  sequential    2  
33   6  medium        0  
34   6  long          4  
35   6  interchain    0  
36   6  total         6  
37   7  intraresidue  0  
38   7  sequential    1  
39   7  medium        0  
40   7  long          5  
41   7  interchain    0  
42   7  total         6  
43   8  intraresidue  0  
44   8  sequential    1  
45   8  medium        0  
46   8  long          4  
47   8  interchain    0  
48   8  total         5  
49   9  intraresidue  0  
50   9  sequential    2  
51   9  medium        1  
52   9  long          1  
53   9  interchain    0  
54   9  total         4  
55  10  intraresidue  0  
56  10  sequential    2  
57  10  medium        0  
58  10  long          4  
59  10  interchain    0  
60  10  total         6  
#
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   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
 1   1  intraresidue  0  
 2   1  sequential    1  
 3   1  medium        0  
 4   1  long          7  
 5   1  interchain    0  
 6   1  total         8  
 7   2  intraresidue  0  
 8   2  sequential    3  
 9   2  medium        1  
10   2  long          2  
11   2  interchain    0  
12   2  total         6  
13   3  intraresidue  0  
14   3  sequential    0  
15   3  medium        0  
16   3  long          1  
17   3  interchain    0  
18   3  total         1  
19   4  intraresidue  0  
20   4  sequential    0  
21   4  medium        0  
22   4  long          1  
23   4  interchain    0  
24   4  total         1  
25   5  intraresidue  0  
26   5  sequential    0  
27   5  medium        0  
28   5  long          0  
29   5  interchain    0  
30   5  total         0  
31   6  intraresidue  0  
32   6  sequential    1  
33   6  medium        0  
34   6  long          1  
35   6  interchain    0  
36   6  total         2  
37   7  intraresidue  0  
38   7  sequential    0  
39   7  medium        0  
40   7  long          1  
41   7  interchain    0  
42   7  total         1  
43   8  intraresidue  0  
44   8  sequential    0  
45   8  medium        0  
46   8  long          1  
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  
#
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   5.4   
2  0.2-0.5  None  None  
3  >0.5     None  None  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
 1   328  1  .  A  24  LEU  ?     1  A  18  HG    A  .  43  ILE  37  A  1  ?     HA    8  0.14  0.14  0.02  
 2   267  1  .  A  30  ILE  ?     1  A  24  HD11  A  .  37  PHE  31  A  1  ?     HE1   7  0.13  0.13  0.01  
 3   267  1  .  A  30  ILE  ?     1  A  24  HD11  A  .  37  PHE  31  A  1  ?     HE2   7  0.13  0.13  0.01  
 4   267  1  .  A  30  ILE  ?     1  A  24  HD12  A  .  37  PHE  31  A  1  ?     HE1   7  0.13  0.13  0.01  
 5   267  1  .  A  30  ILE  ?     1  A  24  HD12  A  .  37  PHE  31  A  1  ?     HE2   7  0.13  0.13  0.01  
 6   267  1  .  A  30  ILE  ?     1  A  24  HD13  A  .  37  PHE  31  A  1  ?     HE1   7  0.13  0.13  0.01  
 7   267  1  .  A  30  ILE  ?     1  A  24  HD13  A  .  37  PHE  31  A  1  ?     HE2   7  0.13  0.13  0.01  
 8   588  1  .  A  63  GLU  ?     1  A  57  HG3   A  .  64  PRO  58  A  1  ?     HD3   6  0.13  0.12  0.01  
 9   331  1  .  A  43  ILE  ?     1  A  37  HG21  A  .  51  LEU  45  A  1  ?     HD21  6  0.12  0.11  0.01  
10   331  1  .  A  43  ILE  ?     1  A  37  HG21  A  .  51  LEU  45  A  1  ?     HD22  6  0.12  0.11  0.01  
11   331  1  .  A  43  ILE  ?     1  A  37  HG21  A  .  51  LEU  45  A  1  ?     HD23  6  0.12  0.11  0.01  
12   331  1  .  A  43  ILE  ?     1  A  37  HG22  A  .  51  LEU  45  A  1  ?     HD21  6  0.12  0.11  0.01  
13   331  1  .  A  43  ILE  ?     1  A  37  HG22  A  .  51  LEU  45  A  1  ?     HD22  6  0.12  0.11  0.01  
14   331  1  .  A  43  ILE  ?     1  A  37  HG22  A  .  51  LEU  45  A  1  ?     HD23  6  0.12  0.11  0.01  
15   331  1  .  A  43  ILE  ?     1  A  37  HG23  A  .  51  LEU  45  A  1  ?     HD21  6  0.12  0.11  0.01  
16   331  1  .  A  43  ILE  ?     1  A  37  HG23  A  .  51  LEU  45  A  1  ?     HD22  6  0.12  0.11  0.01  
17   331  1  .  A  43  ILE  ?     1  A  37  HG23  A  .  51  LEU  45  A  1  ?     HD23  6  0.12  0.11  0.01  
18  1358  1  .  A  50  TYR  ?     1  A  44  HD1   A  .  64  PRO  58  A  1  ?     HB2   4  0.11  0.11  0.00  
19  1358  1  .  A  50  TYR  ?     1  A  44  HD2   A  .  64  PRO  58  A  1  ?     HB2   4  0.11  0.11  0.00  
20   720  1  .  A  29  PHE  ?     1  A  23  HE1   A  .  39  LEU  33  A  1  ?     HD21  3  0.15  0.15  0.01  
21   720  1  .  A  29  PHE  ?     1  A  23  HE1   A  .  39  LEU  33  A  1  ?     HD22  3  0.15  0.15  0.01  
22   720  1  .  A  29  PHE  ?     1  A  23  HE1   A  .  39  LEU  33  A  1  ?     HD23  3  0.15  0.15  0.01  
23   720  1  .  A  29  PHE  ?     1  A  23  HE2   A  .  39  LEU  33  A  1  ?     HD21  3  0.15  0.15  0.01  
24   720  1  .  A  29  PHE  ?     1  A  23  HE2   A  .  39  LEU  33  A  1  ?     HD22  3  0.15  0.15  0.01  
25   720  1  .  A  29  PHE  ?     1  A  23  HE2   A  .  39  LEU  33  A  1  ?     HD23  3  0.15  0.15  0.01  
26    39  1  .  A  20  VAL  ?     1  A  14  HB    A  .  21  THR  15  A  1  ?     HB    2  0.16  0.16  0.01  
27  1170  1  .  A  19  ALA  ?     1  A  13  H     A  .  20  VAL  14  A  1  ?     H     2  0.16  0.16  0.01  
28   587  1  .  A  63  GLU  ?     1  A  57  HG2   A  .  64  PRO  58  A  1  ?     HD3   2  0.15  0.15  0.02  
29  1537  1  .  A  53  ARG  ?     1  A  47  HD2   A  .  57  GLN  51  A  1  ?     HA    2  0.13  0.13  0.01  
30  1537  1  .  A  53  ARG  ?     1  A  47  HD3   A  .  57  GLN  51  A  1  ?     HA    2  0.13  0.13  0.01  
31   761  1  .  A  39  LEU  ?     1  A  33  HD21  A  .  70  LEU  64  A  1  ?     HD21  2  0.12  0.12  0.02  
32   761  1  .  A  39  LEU  ?     1  A  33  HD21  A  .  70  LEU  64  A  1  ?     HD22  2  0.12  0.12  0.02  
33   761  1  .  A  39  LEU  ?     1  A  33  HD21  A  .  70  LEU  64  A  1  ?     HD23  2  0.12  0.12  0.02  
34   761  1  .  A  39  LEU  ?     1  A  33  HD22  A  .  70  LEU  64  A  1  ?     HD21  2  0.12  0.12  0.02  
35   761  1  .  A  39  LEU  ?     1  A  33  HD22  A  .  70  LEU  64  A  1  ?     HD22  2  0.12  0.12  0.02  
36   761  1  .  A  39  LEU  ?     1  A  33  HD22  A  .  70  LEU  64  A  1  ?     HD23  2  0.12  0.12  0.02  
37   761  1  .  A  39  LEU  ?     1  A  33  HD23  A  .  70  LEU  64  A  1  ?     HD21  2  0.12  0.12  0.02  
38   761  1  .  A  39  LEU  ?     1  A  33  HD23  A  .  70  LEU  64  A  1  ?     HD22  2  0.12  0.12  0.02  
39   761  1  .  A  39  LEU  ?     1  A  33  HD23  A  .  70  LEU  64  A  1  ?     HD23  2  0.12  0.12  0.02  
40   353  1  .  A  43  ILE  ?     1  A  37  HG13  A  .  52  ILE  46  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  1426  1    5   12  HD2   HA    0.19  
  2  1426  1    5   12  HD3   HA    0.19  
  3   587  1  264  265  HG2   HD3   0.17  
  4    39  1  566  567  HB    HB    0.17  
  5   328  1   87  106  HG    HA    0.17  
  6  1170  1  634  635  H     H     0.17  
  7   720  1  437  447  HE1   HD21  0.16  
  8   720  1  437  447  HE1   HD22  0.16  
  9   720  1  437  447  HE1   HD23  0.16  
 10   720  1  437  447  HE2   HD21  0.16  
 11   720  1  437  447  HE2   HD22  0.16  
 12   720  1  437  447  HE2   HD23  0.16  
 13   328  1  294  313  HG    HA    0.16  
 14   328  1  639  658  HG    HA    0.16  
 15   720  1  230  240  HE1   HD21  0.15  
 16   720  1  230  240  HE1   HD22  0.15  
 17   720  1  230  240  HE1   HD23  0.15  
 18   720  1  230  240  HE2   HD21  0.15  
 19   720  1  230  240  HE2   HD22  0.15  
 20   720  1  230  240  HE2   HD23  0.15  
 21    39  1   83   84  HB    HB    0.15  
 22  1170  1  289  290  H     H     0.15  
 23   761  1   33   64  HD21  HD21  0.14  
 24   761  1   33   64  HD21  HD22  0.14  
 25   761  1   33   64  HD21  HD23  0.14  
 26   761  1   33   64  HD22  HD21  0.14  
 27   761  1   33   64  HD22  HD22  0.14  
 28   761  1   33   64  HD22  HD23  0.14  
 29   761  1   33   64  HD23  HD21  0.14  
 30   761  1   33   64  HD23  HD22  0.14  
 31   761  1   33   64  HD23  HD23  0.14  
 32   720  1  299  309  HE1   HD21  0.14  
 33   720  1  299  309  HE1   HD22  0.14  
 34   720  1  299  309  HE1   HD23  0.14  
 35   720  1  299  309  HE2   HD21  0.14  
 36   720  1  299  309  HE2   HD22  0.14  
 37   720  1  299  309  HE2   HD23  0.14  
 38   588  1  126  127  HG3   HD3   0.14  
 39   588  1  195  196  HG3   HD3   0.14  
 40   328  1  501  520  HG    HA    0.14  
 41   267  1  162  169  HD11  HE1   0.14  
 42   267  1  162  169  HD11  HE2   0.14  
 43   267  1  162  169  HD12  HE1   0.14  
 44   267  1  162  169  HD12  HE2   0.14  
 45   267  1  162  169  HD13  HE1   0.14  
 46   267  1  162  169  HD13  HE2   0.14  
 47   267  1  231  238  HD11  HE1   0.14  
 48   267  1  231  238  HD11  HE2   0.14  
 49   267  1  231  238  HD12  HE1   0.14  
 50   267  1  231  238  HD12  HE2   0.14  
 51   267  1  231  238  HD13  HE1   0.14  
 52   267  1  231  238  HD13  HE2   0.14  
 53   267  1  645  652  HD11  HE1   0.14  
 54   267  1  645  652  HD11  HE2   0.14  
 55   267  1  645  652  HD12  HE1   0.14  
 56   267  1  645  652  HD12  HE2   0.14  
 57   267  1  645  652  HD13  HE1   0.14  
 58   267  1  645  652  HD13  HE2   0.14  
 59  1537  1  599  603  HD2   HA    0.14  
 60  1537  1  599  603  HD3   HA    0.14  
 61  1444  1  360  408  HA    HE2   0.14  
 62  1444  1  360  408  HA    HE3   0.14  
 63   588  1  471  472  HG3   HD3   0.13  
 64   587  1  540  541  HG2   HD3   0.13  
 65   331  1  106  114  HG21  HD21  0.13  
 66   331  1  106  114  HG21  HD22  0.13  
 67   331  1  106  114  HG21  HD23  0.13  
 68   331  1  106  114  HG22  HD21  0.13  
 69   331  1  106  114  HG22  HD22  0.13  
 70   331  1  106  114  HG22  HD23  0.13  
 71   331  1  106  114  HG23  HD21  0.13  
 72   331  1  106  114  HG23  HD22  0.13  
 73   331  1  106  114  HG23  HD23  0.13  
 74   328  1  156  175  HG    HA    0.13  
 75   267  1   93  100  HD11  HE1   0.13  
 76   267  1   93  100  HD11  HE2   0.13  
 77   267  1   93  100  HD12  HE1   0.13  
 78   267  1   93  100  HD12  HE2   0.13  
 79   267  1   93  100  HD13  HE1   0.13  
 80   267  1   93  100  HD13  HE2   0.13  
 81   267  1  507  514  HD11  HE1   0.13  
 82   267  1  507  514  HD11  HE2   0.13  
 83   267  1  507  514  HD12  HE1   0.13  
 84   267  1  507  514  HD12  HE2   0.13  
 85   267  1  507  514  HD13  HE1   0.13  
 86   267  1  507  514  HD13  HE2   0.13  
 87  1370  1  437  478  HD1   HD11  0.13  
 88  1370  1  437  478  HD1   HD12  0.13  
 89  1370  1  437  478  HD1   HD13  0.13  
 90  1370  1  437  478  HD2   HD11  0.13  
 91  1370  1  437  478  HD2   HD12  0.13  
 92  1370  1  437  478  HD2   HD13  0.13  
 93  1326  1  360  361  HG21  HE1   0.13  
 94  1326  1  360  361  HG21  HE2   0.13  
 95  1326  1  360  361  HG22  HE1   0.13  
 96  1326  1  360  361  HG22  HE2   0.13  
 97  1326  1  360  361  HG23  HE1   0.13  
 98  1326  1  360  361  HG23  HE2   0.13  
 99   588  1  402  403  HG3   HD3   0.12  
100   588  1  609  610  HG3   HD3   0.12  
101   542  1  232  267  HA    HE2   0.12  
102   542  1  232  267  HA    HE3   0.12  
103   331  1  520  528  HG21  HD21  0.12  
104   331  1  520  528  HG21  HD22  0.12  
105   331  1  520  528  HG21  HD23  0.12  
106   331  1  520  528  HG22  HD21  0.12  
107   331  1  520  528  HG22  HD22  0.12  
108   331  1  520  528  HG22  HD23  0.12  
109   331  1  520  528  HG23  HD21  0.12  
110   331  1  520  528  HG23  HD22  0.12  
111   331  1  520  528  HG23  HD23  0.12  
112   331  1  658  666  HG21  HD21  0.12  
113   331  1  658  666  HG21  HD22  0.12  
114   331  1  658  666  HG21  HD23  0.12  
115   331  1  658  666  HG22  HD21  0.12  
116   331  1  658  666  HG22  HD22  0.12  
117   331  1  658  666  HG22  HD23  0.12  
118   331  1  658  666  HG23  HD21  0.12  
119   331  1  658  666  HG23  HD22  0.12  
120   331  1  658  666  HG23  HD23  0.12  
121   328  1  225  244  HG    HA    0.12  
122   267  1  576  583  HD11  HE1   0.12  
123   267  1  576  583  HD11  HE2   0.12  
124   267  1  576  583  HD12  HE1   0.12  
125   267  1  576  583  HD12  HE2   0.12  
126   267  1  576  583  HD13  HE1   0.12  
127   267  1  576  583  HD13  HE2   0.12  
128  1537  1   47   51  HD2   HA    0.12  
129  1537  1   47   51  HD3   HA    0.12  
130  1358  1  182  196  HD1   HB2   0.12  
131  1358  1  182  196  HD2   HB2   0.12  
132  1358  1  320  334  HD1   HB2   0.12  
133  1358  1  320  334  HD2   HB2   0.12  
134   765  1  106  116  HA    HB2   0.11  
135   761  1  378  409  HD21  HD21  0.11  
136   761  1  378  409  HD21  HD22  0.11  
137   761  1  378  409  HD21  HD23  0.11  
138   761  1  378  409  HD22  HD21  0.11  
139   761  1  378  409  HD22  HD22  0.11  
140   761  1  378  409  HD22  HD23  0.11  
141   761  1  378  409  HD23  HD21  0.11  
142   761  1  378  409  HD23  HD22  0.11  
143   761  1  378  409  HD23  HD23  0.11  
144   588  1  678  679  HG3   HD3   0.11  
145   353  1  106  115  HG13  HA    0.11  
146   353  1  520  529  HG13  HA    0.11  
147   331  1  175  183  HG21  HD21  0.11  
148   331  1  175  183  HG21  HD22  0.11  
149   331  1  175  183  HG21  HD23  0.11  
150   331  1  175  183  HG22  HD21  0.11  
151   331  1  175  183  HG22  HD22  0.11  
152   331  1  175  183  HG22  HD23  0.11  
153   331  1  175  183  HG23  HD21  0.11  
154   331  1  175  183  HG23  HD22  0.11  
155   331  1  175  183  HG23  HD23  0.11  
156   331  1  382  390  HG21  HD21  0.11  
157   331  1  382  390  HG21  HD22  0.11  
158   331  1  382  390  HG21  HD23  0.11  
159   331  1  382  390  HG22  HD21  0.11  
160   331  1  382  390  HG22  HD22  0.11  
161   331  1  382  390  HG22  HD23  0.11  
162   331  1  382  390  HG23  HD21  0.11  
163   331  1  382  390  HG23  HD22  0.11  
164   331  1  382  390  HG23  HD23  0.11  
165   331  1  451  459  HG21  HD21  0.11  
166   331  1  451  459  HG21  HD22  0.11  
167   331  1  451  459  HG21  HD23  0.11  
168   331  1  451  459  HG22  HD21  0.11  
169   331  1  451  459  HG22  HD22  0.11  
170   331  1  451  459  HG22  HD23  0.11  
171   331  1  451  459  HG23  HD21  0.11  
172   331  1  451  459  HG23  HD22  0.11  
173   331  1  451  459  HG23  HD23  0.11  
174   328  1   18   37  HG    HA    0.11  
175   328  1  432  451  HG    HA    0.11  
176   267  1  438  445  HD11  HE1   0.11  
177   267  1  438  445  HD11  HE2   0.11  
178   267  1  438  445  HD12  HE1   0.11  
179   267  1  438  445  HD12  HE2   0.11  
180   267  1  438  445  HD13  HE1   0.11  
181   267  1  438  445  HD13  HE2   0.11  
182  1538  1  116  122  HD2   HA    0.11  
183  1538  1  116  122  HD3   HA    0.11  
184   139  1  156  176  HB2   HA    0.11  
185  1358  1  389  403  HD1   HB2   0.11  
186  1358  1  389  403  HD2   HB2   0.11  
187  1358  1  665  679  HD1   HB2   0.11  
188  1358  1  665  679  HD2   HB2   0.11  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
