data_8DJJ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8DJJ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8DJJ
_pdbx_vrpt_summary.PDB_deposition_date         2022-06-30
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-10-25
_pdbx_vrpt_summary.report_creation_date        2023-10-15:05:53
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "3C-like proteinase nsp5"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.51  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      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
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   48.31  141614     ?     ?  
 2  2  1   67.49    5346  2.50  2.50  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5231  2.50  2.50  
 5  1  3   44.48  138945     ?     ?  
 6  2  3   71.03    5233  2.50  2.50  
 7  1  4   39.05  127900     ?     ?  
 8  2  4   42.07    4559  2.50  2.50  
 9  1  5   12.99  130704     ?     ?  
10  2  5   20.39    4661  2.50  2.50  
#
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   45.72  
4  6  3  A  1  1  A   72.27  
5  7  4  A  1  1  A   39.05  
6  8  4  A  1  1  A   42.07  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.49
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.25
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   2428
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  3300
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.65
_pdbx_vrpt_summary_geometry.clashscore                     5.97
_pdbx_vrpt_summary_geometry.num_H_reduce                   2321
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2428
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.25
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3300
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.49
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 116.923
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            30.028
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         46.105
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.70(2.51A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8968
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.222
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.300
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.502
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.335
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.928
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.51
_pdbx_vrpt_summary_diffraction.EDS_res_low               48.56
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[46.780,38.652,58.570,0.000,0.867,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.415
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.95% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         97.15
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      449
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.92
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.51
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        48.56
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.28
#
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  SER  A    1  .  ?        ?  
  2  1  1  A    2  GLY  A    2  .  ?        ?  
  3  1  1  A    3  PHE  A    3  .  ?        ?  
  4  1  1  A    4  ARG  A    4  .  ?        ?  
  5  1  1  A    5  LYS  A    5  .  ?        2  
  6  1  1  A    6  MET  A    6  .  ?        ?  
  7  1  1  A    7  THR  A    7  .  ?        ?  
  8  1  1  A    8  PHE  A    8  .  ?        ?  
  9  1  1  A    9  PRO  A    9  .  ?        1  
 10  1  1  A   10  SER  A   10  .  ?        ?  
 11  1  1  A   11  GLY  A   11  .  ?        ?  
 12  1  1  A   12  LYS  A   12  .  ?        ?  
 13  1  1  A   13  VAL  A   13  .  ?        ?  
 14  1  1  A   14  GLU  A   14  .  ?        ?  
 15  1  1  A   15  GLY  A   15  .  ?        ?  
 16  1  1  A   16  CYS  A   16  .  ?        ?  
 17  1  1  A   17  MET  A   17  .  ?        1  
 18  1  1  A   18  VAL  A   18  .  ?        ?  
 19  1  1  A   19  GLN  A   19  .  ?        ?  
 20  1  1  A   20  VAL  A   20  .  ?        ?  
 21  1  1  A   21  THR  A   21  .  ?        1  
 22  1  1  A   22  CYS  A   22  .  ?        ?  
 23  1  1  A   23  GLY  A   23  .  ?        ?  
 24  1  1  A   24  THR  A   24  .  ?        ?  
 25  1  1  A   25  THR  A   25  .  ?        ?  
 26  1  1  A   26  THR  A   26  .  ?        ?  
 27  1  1  A   27  LEU  A   27  .  ?        1  
 28  1  1  A   28  ASN  A   28  .  ?        ?  
 29  1  1  A   29  GLY  A   29  .  ?        ?  
 30  1  1  A   30  LEU  A   30  .  ?        ?  
 31  1  1  A   31  TRP  A   31  .  ?        ?  
 32  1  1  A   32  LEU  A   32  .  ?        ?  
 33  1  1  A   33  ASP  A   33  .  ?        ?  
 34  1  1  A   34  ASP  A   34  .  ?        ?  
 35  1  1  A   35  VAL  A   35  .  ?        ?  
 36  1  1  A   36  VAL  A   36  .  ?        ?  
 37  1  1  A   37  TYR  A   37  .  ?        ?  
 38  1  1  A   38  CYS  A   38  .  ?        ?  
 39  1  1  A   39  PRO  A   39  .  ?        1  
 40  1  1  A   40  ARG  A   40  .  ?        1  
 41  1  1  A   41  HIS  A   41  .  ?        ?  
 42  1  1  A   42  VAL  A   42  .  ?        ?  
 43  1  1  A   43  ILE  A   43  .  ?        ?  
 44  1  1  A   44  CYS  A   44  .  ?        1  
 45  1  1  A   45  THR  A   45  .  ?        ?  
 46  1  1  A   46  SER  A   46  .  ?        ?  
 47  1  1  A   47  GLU  A   47  .  ?        ?  
 48  1  1  A   48  ASP  A   48  .  ?        1  
 49  1  1  A   49  MET  A   49  .  ?        ?  
 50  1  1  A   50  LEU  A   50  .  ?        ?  
 51  1  1  A   51  ASN  A   51  .  ?        ?  
 52  1  1  A   52  PRO  A   52  .  ?        ?  
 53  1  1  A   53  ASN  A   53  .  ?        ?  
 54  1  1  A   54  TYR  A   54  .  ?        ?  
 55  1  1  A   55  GLU  A   55  .  ?        ?  
 56  1  1  A   56  ASP  A   56  .  ?        ?  
 57  1  1  A   57  LEU  A   57  .  ?        ?  
 58  1  1  A   58  LEU  A   58  .  ?        ?  
 59  1  1  A   59  ILE  A   59  .  ?        ?  
 60  1  1  A   60  ARG  A   60  .  ?        ?  
 61  1  1  A   61  LYS  A   61  .  ?        ?  
 62  1  1  A   62  SER  A   62  .  ?        ?  
 63  1  1  A   63  ASN  A   63  .  ?        ?  
 64  1  1  A   64  HIS  A   64  .  ?        ?  
 65  1  1  A   65  ASN  A   65  .  ?        ?  
 66  1  1  A   66  PHE  A   66  .  ?        ?  
 67  1  1  A   67  LEU  A   67  .  ?        3  
 68  1  1  A   68  VAL  A   68  .  ?        ?  
 69  1  1  A   69  GLN  A   69  .  ?        1  
 70  1  1  A   70  ALA  A   70  .  ?        ?  
 71  1  1  A   71  GLY  A   71  .  ?        ?  
 72  1  1  A   72  ASN  A   72  .  ?        ?  
 73  1  1  A   73  VAL  A   73  .  ?        ?  
 74  1  1  A   74  GLN  A   74  .  ?        1  
 75  1  1  A   75  LEU  A   75  .  ?        ?  
 76  1  1  A   76  ARG  A   76  .  ?        ?  
 77  1  1  A   77  VAL  A   77  .  ?        ?  
 78  1  1  A   78  ILE  A   78  .  ?        ?  
 79  1  1  A   79  GLY  A   79  .  ?        ?  
 80  1  1  A   80  HIS  A   80  .  ?        ?  
 81  1  1  A   81  SER  A   81  .  ?        ?  
 82  1  1  A   82  MET  A   82  .  ?        ?  
 83  1  1  A   83  GLN  A   83  .  ?        2  
 84  1  1  A   84  ASN  A   84  .  ?        ?  
 85  1  1  A   85  CYS  A   85  .  ?        1  
 86  1  1  A   86  VAL  A   86  .  ?        ?  
 87  1  1  A   87  LEU  A   87  .  ?        ?  
 88  1  1  A   88  LYS  A   88  .  ?        2  
 89  1  1  A   89  LEU  A   89  .  ?        ?  
 90  1  1  A   90  LYS  A   90  .  ?        ?  
 91  1  1  A   91  VAL  A   91  .  ?        ?  
 92  1  1  A   92  ASP  A   92  .  ?        2  
 93  1  1  A   93  THR  A   93  .  ?        ?  
 94  1  1  A   94  ALA  A   94  .  ?        ?  
 95  1  1  A   95  ASN  A   95  .  ?        1  
 96  1  1  A   96  PRO  A   96  .  ?        ?  
 97  1  1  A   97  LYS  A   97  .  ?        ?  
 98  1  1  A   98  THR  A   98  .  ?        1  
 99  1  1  A   99  PRO  A   99  .  ?        ?  
100  1  1  A  100  LYS  A  100  .  ?        ?  
101  1  1  A  101  TYR  A  101  .  ?        ?  
102  1  1  A  102  LYS  A  102  .  ?        1  
103  1  1  A  103  PHE  A  103  .  ?        ?  
104  1  1  A  104  VAL  A  104  .  ?        ?  
105  1  1  A  105  ARG  A  105  .  ?        ?  
106  1  1  A  106  ILE  A  106  .  ?        ?  
107  1  1  A  107  GLN  A  107  .  ?        ?  
108  1  1  A  108  PRO  A  108  .  ?        ?  
109  1  1  A  109  GLY  A  109  .  ?        ?  
110  1  1  A  110  GLN  A  110  .  ?        ?  
111  1  1  A  111  THR  A  111  .  ?        ?  
112  1  1  A  112  PHE  A  112  .  ?        ?  
113  1  1  A  113  SER  A  113  .  ?        ?  
114  1  1  A  114  VAL  A  114  .  ?        1  
115  1  1  A  115  LEU  A  115  .  ?        ?  
116  1  1  A  116  ALA  A  116  .  ?        ?  
117  1  1  A  117  CYS  A  117  .  ?        2  
118  1  1  A  118  TYR  A  118  .  ?        1  
119  1  1  A  119  ASN  A  119  .  ?        ?  
120  1  1  A  120  GLY  A  120  .  ?        ?  
121  1  1  A  121  SER  A  121  .  ?        ?  
122  1  1  A  122  PRO  A  122  .  ?        ?  
123  1  1  A  123  SER  A  123  .  ?        ?  
124  1  1  A  124  GLY  A  124  .  ?        ?  
125  1  1  A  125  VAL  A  125  .  ?        1  
126  1  1  A  126  TYR  A  126  .  ?        ?  
127  1  1  A  127  GLN  A  127  .  ?        1  
128  1  1  A  128  CYS  A  128  A  ?        ?  
129  1  1  A  128  CYS  A  128  B  ?        ?  
130  1  1  A  129  ALA  A  129  .  ?        ?  
131  1  1  A  130  MET  A  130  .  ?        ?  
132  1  1  A  131  ARG  A  131  .  ?        ?  
133  1  1  A  132  PRO  A  132  .  ?        ?  
134  1  1  A  133  ASN  A  133  .  ?        ?  
135  1  1  A  134  PHE  A  134  .  ?        ?  
136  1  1  A  135  THR  A  135  .  ?        ?  
137  1  1  A  136  ILE  A  136  .  ?        ?  
138  1  1  A  137  LYS  A  137  .  ?        ?  
139  1  1  A  138  GLY  A  138  .  ?        ?  
140  1  1  A  139  SER  A  139  .  ?        ?  
141  1  1  A  140  PHE  A  140  .  ?        1  
142  1  1  A  141  LEU  A  141  .  ?        ?  
143  1  1  A  142  ASN  A  142  .  ?        ?  
144  1  1  A  143  GLY  A  143  .  ?        ?  
145  1  1  A  144  SER  A  144  .  ?        3  
146  1  1  A  145  CYS  A  145  .  ?        ?  
147  1  1  A  146  GLY  A  146  .  ?        ?  
148  1  1  A  147  SER  A  147  .  ?        ?  
149  1  1  A  148  VAL  A  148  .  ?        ?  
150  1  1  A  149  GLY  A  149  .  ?        ?  
151  1  1  A  150  PHE  A  150  .  ?        ?  
152  1  1  A  151  ASN  A  151  .  ?        ?  
153  1  1  A  152  ILE  A  152  .  ?        ?  
154  1  1  A  153  ASP  A  153  .  ?        ?  
155  1  1  A  154  TYR  A  154  .  ?        ?  
156  1  1  A  155  ASP  A  155  .  ?        ?  
157  1  1  A  156  CYS  A  156  .  ?        1  
158  1  1  A  157  VAL  A  157  .  ?        ?  
159  1  1  A  158  SER  A  158  .  ?        ?  
160  1  1  A  159  PHE  A  159  .  ?        ?  
161  1  1  A  160  CYS  A  160  .  ?        ?  
162  1  1  A  161  TYR  A  161  .  ?        ?  
163  1  1  A  162  MET  A  162  .  ?        ?  
164  1  1  A  163  HIS  A  163  .  ?        ?  
165  1  1  A  164  HIS  A  164  .  ?        ?  
166  1  1  A  165  MET  A  165  .  ?        4  
167  1  1  A  166  GLU  A  166  .  ?        ?  
168  1  1  A  167  LEU  A  167  .  ?        ?  
169  1  1  A  168  PRO  A  168  .  ?        ?  
170  1  1  A  169  THR  A  169  .  ?        ?  
171  1  1  A  170  GLY  A  170  .  ?        ?  
172  1  1  A  171  VAL  A  171  .  ?        ?  
173  1  1  A  172  HIS  A  172  .  ?        ?  
174  1  1  A  173  ALA  A  173  .  ?        ?  
175  1  1  A  174  GLY  A  174  .  ?        ?  
176  1  1  A  175  THR  A  175  .  ?        ?  
177  1  1  A  176  ASP  A  176  .  ?        ?  
178  1  1  A  177  LEU  A  177  .  ?        2  
179  1  1  A  178  GLU  A  178  .  ?        ?  
180  1  1  A  179  GLY  A  179  .  ?        ?  
181  1  1  A  180  ASN  A  180  .  ?        ?  
182  1  1  A  181  PHE  A  181  .  ?        ?  
183  1  1  A  182  TYR  A  182  .  ?        ?  
184  1  1  A  183  GLY  A  183  .  ?        ?  
185  1  1  A  184  PRO  A  184  .  ?        ?  
186  1  1  A  185  PHE  A  185  .  ?        ?  
187  1  1  A  186  VAL  A  186  .  ?        ?  
188  1  1  A  187  ASP  A  187  .  ?        2  
189  1  1  A  188  ARG  A  188  .  ?        ?  
190  1  1  A  189  GLN  A  189  .  ?        ?  
191  1  1  A  190  THR  A  190  .  ?        ?  
192  1  1  A  191  ALA  A  191  .  ?        ?  
193  1  1  A  192  GLN  A  192  .  ?        ?  
194  1  1  A  193  ALA  A  193  .  ?        ?  
195  1  1  A  194  ALA  A  194  .  ?        ?  
196  1  1  A  195  GLY  A  195  .  ?        ?  
197  1  1  A  196  THR  A  196  .  ?        ?  
198  1  1  A  197  ASP  A  197  .  ?        ?  
199  1  1  A  198  THR  A  198  .  ?        ?  
200  1  1  A  199  THR  A  199  .  ?        ?  
201  1  1  A  200  ILE  A  200  .  ?        ?  
202  1  1  A  201  THR  A  201  .  ?        ?  
203  1  1  A  202  VAL  A  202  .  ?        ?  
204  1  1  A  203  ASN  A  203  .  ?        ?  
205  1  1  A  204  VAL  A  204  .  ?        ?  
206  1  1  A  205  LEU  A  205  .  ?        ?  
207  1  1  A  206  ALA  A  206  .  ?        ?  
208  1  1  A  207  TRP  A  207  .  ?        ?  
209  1  1  A  208  LEU  A  208  .  ?        ?  
210  1  1  A  209  TYR  A  209  .  ?        ?  
211  1  1  A  210  ALA  A  210  .  ?        ?  
212  1  1  A  211  ALA  A  211  .  ?        ?  
213  1  1  A  212  VAL  A  212  .  ?        ?  
214  1  1  A  213  ILE  A  213  .  ?        ?  
215  1  1  A  214  ASN  A  214  .  ?        ?  
216  1  1  A  215  GLY  A  215  .  ?        ?  
217  1  1  A  216  ASP  A  216  .  ?        ?  
218  1  1  A  217  ARG  A  217  .  ?        ?  
219  1  1  A  218  TRP  A  218  .  ?        ?  
220  1  1  A  219  PHE  A  219  .  ?        ?  
221  1  1  A  220  LEU  A  220  .  ?        ?  
222  1  1  A  221  ASN  A  221  .  ?        ?  
223  1  1  A  222  ARG  A  222  .  ?        ?  
224  1  1  A  223  PHE  A  223  .  ?        ?  
225  1  1  A  224  THR  A  224  .  ?        ?  
226  1  1  A  225  THR  A  225  .  ?        1  
227  1  1  A  226  THR  A  226  .  ?        1  
228  1  1  A  227  LEU  A  227  .  ?        ?  
229  1  1  A  228  ASN  A  228  .  ?        ?  
230  1  1  A  229  ASP  A  229  .  ?        2  
231  1  1  A  230  PHE  A  230  .  ?        ?  
232  1  1  A  231  ASN  A  231  .  ?        ?  
233  1  1  A  232  LEU  A  232  .  ?        ?  
234  1  1  A  233  VAL  A  233  .  ?        ?  
235  1  1  A  234  ALA  A  234  .  ?        ?  
236  1  1  A  235  MET  A  235  .  ?        ?  
237  1  1  A  236  LYS  A  236  .  ?        ?  
238  1  1  A  237  TYR  A  237  .  ?        ?  
239  1  1  A  238  ASN  A  238  .  ?        ?  
240  1  1  A  239  TYR  A  239  .  ?        ?  
241  1  1  A  240  GLU  A  240  .  ?        ?  
242  1  1  A  241  PRO  A  241  .  ?        ?  
243  1  1  A  242  LEU  A  242  .  ?        ?  
244  1  1  A  243  THR  A  243  .  ?        ?  
245  1  1  A  244  GLN  A  244  .  ?        ?  
246  1  1  A  245  ASP  A  245  .  ?        ?  
247  1  1  A  246  HIS  A  246  .  ?        ?  
248  1  1  A  247  VAL  A  247  .  ?        ?  
249  1  1  A  248  ASP  A  248  .  ?        ?  
250  1  1  A  249  ILE  A  249  .  ?        ?  
251  1  1  A  250  LEU  A  250  .  ?        ?  
252  1  1  A  251  GLY  A  251  .  ?        ?  
253  1  1  A  252  PRO  A  252  .  ?        ?  
254  1  1  A  253  LEU  A  253  .  ?        ?  
255  1  1  A  254  SER  A  254  .  ?        ?  
256  1  1  A  255  ALA  A  255  .  ?        ?  
257  1  1  A  256  GLN  A  256  .  ?        ?  
258  1  1  A  257  THR  A  257  .  ?        ?  
259  1  1  A  258  GLY  A  258  .  ?        ?  
260  1  1  A  259  ILE  A  259  .  ?        ?  
261  1  1  A  260  ALA  A  260  .  ?        ?  
262  1  1  A  261  VAL  A  261  .  ?        ?  
263  1  1  A  262  LEU  A  262  .  ?        ?  
264  1  1  A  263  ASP  A  263  .  ?        ?  
265  1  1  A  264  MET  A  264  .  ?        ?  
266  1  1  A  265  CYS  A  265  .  ?        ?  
267  1  1  A  266  ALA  A  266  .  ?        ?  
268  1  1  A  267  SER  A  267  .  ?        ?  
269  1  1  A  268  LEU  A  268  .  ?        ?  
270  1  1  A  269  LYS  A  269  .  ?        ?  
271  1  1  A  270  GLU  A  270  .  ?        1  
272  1  1  A  271  LEU  A  271  .  ?        ?  
273  1  1  A  272  LEU  A  272  .  ?        ?  
274  1  1  A  273  GLN  A  273  .  ?        ?  
275  1  1  A  274  ASN  A  274  .  ?        1  
276  1  1  A  275  GLY  A  275  .  ?        ?  
277  1  1  A  276  MET  A  276  .  ?        ?  
278  1  1  A  277  ASN  A  277  .  ?        ?  
279  1  1  A  278  GLY  A  278  .  ?        ?  
280  1  1  A  279  ARG  A  279  .  ?        ?  
281  1  1  A  280  THR  A  280  .  ?        ?  
282  1  1  A  281  ILE  A  281  .  ?        ?  
283  1  1  A  282  LEU  A  282  .  ?        ?  
284  1  1  A  283  GLY  A  283  .  ?        ?  
285  1  1  A  284  SER  A  284  .  ?        ?  
286  1  1  A  285  ALA  A  285  .  ?        ?  
287  1  1  A  286  LEU  A  286  .  ?        ?  
288  1  1  A  287  LEU  A  287  .  ?        ?  
289  1  1  A  288  GLU  A  288  .  ?        ?  
290  1  1  A  289  ASP  A  289  .  ?        ?  
291  1  1  A  290  GLU  A  290  .  ?        ?  
292  1  1  A  291  PHE  A  291  .  ?        1  
293  1  1  A  292  THR  A  292  .  ?        ?  
294  1  1  A  293  PRO  A  293  .  ?        ?  
295  1  1  A  294  PHE  A  294  .  ?        ?  
296  1  1  A  295  ASP  A  295  .  ?        1  
297  1  1  A  296  VAL  A  296  .  ?        ?  
298  1  1  A  297  VAL  A  297  .  ?        ?  
299  1  1  A  298  ARG  A  298  .  ?        1  
300  1  1  A  299  GLN  A  299  .  ?        ?  
301  1  1  A  300  CYS  A  300  .  ?        ?  
302  1  1  A  301  SER  A  301  .  ?        ?  
303  1  1  A  302  GLY  A  302  .  ?        ?  
304  1  1  A  303  VAL  A  303  .  ?        ?  
305  1  1  A  304  THR  A  304  .  ?        ?  
306  1  1  A  305  PHE  A  305  .  ?        1  
307  1  1  A  306  GLN  A  306  .  ?        ?  
308  1  2  B    .  HOH  A  401  .  ?        ?  
309  1  2  B    .  HOH  A  402  .  ?        1  
310  1  2  B    .  HOH  A  403  .  ?        ?  
311  1  2  B    .  HOH  A  404  .  ?        ?  
312  1  2  B    .  HOH  A  405  .  ?        1  
313  1  2  B    .  HOH  A  406  .  ?        ?  
314  1  2  B    .  HOH  A  407  .  ?        ?  
315  1  2  B    .  HOH  A  408  .  ?        ?  
316  1  2  B    .  HOH  A  409  .  ?        ?  
317  1  2  B    .  HOH  A  410  .  ?        ?  
318  1  2  B    .  HOH  A  411  .  ?        ?  
319  1  2  B    .  HOH  A  412  .  ?        ?  
320  1  2  B    .  HOH  A  413  .  ?        ?  
321  1  2  B    .  HOH  A  414  .  ?        ?  
322  1  2  B    .  HOH  A  415  .  ?        ?  
323  1  2  B    .  HOH  A  416  .  ?        ?  
324  1  2  B    .  HOH  A  417  .  ?        ?  
325  1  2  B    .  HOH  A  418  .  ?        ?  
326  1  2  B    .  HOH  A  419  .  ?        ?  
327  1  2  B    .  HOH  A  420  .  ?        ?  
328  1  2  B    .  HOH  A  421  .  ?        ?  
329  1  2  B    .  HOH  A  422  .  ?        ?  
330  1  2  B    .  HOH  A  423  .  ?        ?  
331  1  2  B    .  HOH  A  424  .  ?        ?  
332  1  2  B    .  HOH  A  425  .  ?        ?  
333  1  2  B    .  HOH  A  426  .  ?        ?  
334  1  2  B    .  HOH  A  427  .  ?        ?  
335  1  2  B    .  HOH  A  428  .  ?        ?  
336  1  2  B    .  HOH  A  429  .  ?        ?  
337  1  2  B    .  HOH  A  430  .  ?        ?  
338  1  2  B    .  HOH  A  431  .  ?        ?  
339  1  2  B    .  HOH  A  432  .  ?        ?  
340  1  2  B    .  HOH  A  433  .  ?        ?  
341  1  2  B    .  HOH  A  434  .  ?        ?  
342  1  2  B    .  HOH  A  435  .  ?        ?  
#
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.OWAB
_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.average_occupancy
  1    1  p             ?       ?  ?           7   53.060     6  0.14     8  0.14  molprobity  1.000  
  2    2  ?          96.4   151.6  Favored     3   50.520     4  0.33     5  0.51  molprobity  1.000  
  3    3  t80      -147.6   120.0  Favored     9   47.500    12  0.34    16  0.26  molprobity  1.000  
  4    4  mtp85    -139.6   165.3  Favored    13   46.100    11  0.21    14  1.05  molprobity  1.000  
  5    5  tppt?     -64.9   116.7  Favored    13   41.020     9  0.22    11  0.31  molprobity  1.000  
  6    6  mtt      -115.5   146.4  Favored     9   43.620     8  0.29    10  0.72  molprobity  1.000  
  7    7  p        -118.4   158.5  Favored     7   41.410     7  0.30    10  0.83  molprobity  1.000  
  8    8  m-85      -71.1   149.4  Favored     9   52.280    12  0.36    17  0.25  molprobity  1.000  
  9    9  Cg_exo    -53.7   117.3  Favored     7   40.410     8  0.18    11  0.17  molprobity  1.000  
 10   10  p         -83.5    12.2  Favored     5   32.400     6  0.30     8  0.72  molprobity  1.000  
 11   11  ?         -62.5   -47.3  Favored     3   33.370     4  0.11     5  0.22  molprobity  1.000  
 12   12  mttm      -61.9   -22.7  Favored    13   43.370     9  0.22    11  0.31  molprobity  1.000  
 13   13  t         -91.6   -31.8  Favored     9   32.890     7  0.19    10  0.40  molprobity  1.000  
 14   14  mt-10     -57.0   -35.5  Favored     6   34.550     9  0.25    12  0.36  molprobity  1.000  
 15   15  ?         -71.9    -2.7  Favored     3   37.690     4  0.24     5  0.26  molprobity  1.000  
 16   16  m        -114.7    -3.9  Favored     5   38.000     6  0.23     8  0.41  molprobity  1.000  
 17   17  mmm       -84.0   118.4  Favored     9   37.820     8  0.25    10  0.35  molprobity  1.000  
 18   18  m        -123.1   171.6  Favored     9   48.200     7  0.18    10  0.57  molprobity  1.000  
 19   19  tt0      -109.9   129.7  Favored     8   56.780     9  0.25    12  0.36  molprobity  1.000  
 20   20  t        -115.5   124.4  Favored     9   52.630     7  0.26    10  0.46  molprobity  1.000  
 21   21  m        -116.2   133.3  Favored     7   58.250     7  0.21    10  0.55  molprobity  1.000  
 22   22  t        -146.4    97.2  Favored     5   69.400     6  0.31     8  0.69  molprobity  1.000  
 23   23  ?          74.9  -136.3  Favored     3   87.700     4  0.20     5  0.57  molprobity  1.000  
 24   24  t         -82.1    -4.9  Favored     7  102.470     7  0.22    10  0.64  molprobity  1.000  
 25   25  m         -99.2   141.2  Favored     7   72.880     7  0.18    10  0.56  molprobity  1.000  
 26   26  OUTLIER  -141.0   129.6  Favored     7   56.610     7  0.21    10  0.54  molprobity  1.000  
 27   27  OUTLIER  -144.7  -174.2  Favored    11   49.060     8  0.26    11  0.94  molprobity  1.000  
 28   28  m-80      -94.8   154.1  Favored     6   45.830     8  0.27    11  0.33  molprobity  1.000  
 29   29  ?        -133.4   161.9  Favored     3   42.920     4  0.45     5  0.71  molprobity  1.000  
 30   30  tp       -110.7   119.6  Favored    11   38.770     8  0.21    11  0.43  molprobity  1.000  
 31   31  t90      -107.4    98.0  Favored    10   50.800    16  0.17    23  0.37  molprobity  1.000  
 32   32  mt       -118.8   124.8  Favored    11   46.650     8  0.22    11  0.43  molprobity  1.000  
 33   33  m-20       57.2  -128.4  Allowed     4   52.610     8  0.36    11  1.10  molprobity  1.000  
 34   34  p-10     -108.2    30.5  Favored     4   70.540     8  0.18    11  0.37  molprobity  1.000  
 35   35  t        -131.2   134.0  Favored     9   53.290     7  0.19    10  0.44  molprobity  1.000  
 36   36  t        -109.7   122.9  Favored     9   45.420     7  0.24    10  0.46  molprobity  1.000  
 37   37  m-85     -102.0   131.7  Favored     9   42.080    13  0.26    18  0.31  molprobity  1.000  
 38   38  p        -150.3   157.8  Favored     5   39.000     6  0.24     9  0.39  molprobity  1.000  
 39   39  Cg_exo    -60.1   147.6  Favored     7   42.090     8  0.11    11  0.46  molprobity  1.000  
 40   40  ptt180    -80.3   -14.8  Favored    13   45.880    11  0.20    14  1.00  molprobity  1.000  
 41   41  p80       -81.4    15.9  Allowed     7   49.460    11  0.13    15  0.33  molprobity  1.000  
 42   42  p         -73.0   -22.2  Favored     9   54.090     7  0.16    10  0.22  molprobity  1.000  
 43   43  pt        -82.4     4.0  Favored    11   57.120     8  0.26    11  0.40  molprobity  1.000  
 44   44  m        -109.3   151.3  Favored     5   71.010     6  0.42     8  0.44  molprobity  1.000  
 45   45  p         -92.4  -168.7  Favored     7   99.010     7  0.20    10  0.65  molprobity  1.000  
 46   46  m         -71.5   -27.8  Favored     5  124.110     6  0.20     8  0.24  molprobity  1.000  
 47   47  pm0       -85.7   -22.8  Favored     6  102.900     9  0.20    12  0.39  molprobity  1.000  
 48   48  m-20      -72.6   -21.4  Favored     4   91.890     8  0.15    11  0.37  molprobity  1.000  
 49   49  tpp       -73.2    -7.1  Favored     9   81.760     8  0.22    10  0.58  molprobity  1.000  
 50   50  tm?       -67.1   -50.7  Favored    11   81.750     8  0.32    11  0.99  molprobity  1.000  
 51   51  t30      -152.6    81.4  Favored     6   75.310     8  0.26    12  0.40  molprobity  1.000  
 52   52  Cg_endo   -88.4   130.9  Favored     7   66.040     8  0.18    11  0.29  molprobity  1.000  
 53   53  t-20      -85.9    94.5  Favored     6   62.530     8  0.21    11  0.62  molprobity  1.000  
 54   54  m-85      -64.0   -38.6  Favored     9   54.200    13  0.26    18  0.26  molprobity  1.000  
 55   55  mp0       -62.8   -38.6  Favored     6   65.120     9  0.34    12  0.40  molprobity  1.000  
 56   56  m-20      -71.8   -42.1  Favored     4   70.650     8  0.18    11  0.25  molprobity  1.000  
 57   57  mt        -67.7   -33.9  Favored    11   63.010     8  0.21    11  0.29  molprobity  1.000  
 58   58  tp        -69.2   -24.7  Favored    11   57.230     8  0.19    11  0.57  molprobity  1.000  
 59   59  mt        -67.5   -39.6  Favored    11   61.190     8  0.21    11  0.27  molprobity  1.000  
 60   60  mtt-85    -68.6    -5.5  Favored    13   72.180    11  0.27    14  1.37  molprobity  1.000  
 61   61  mmtm     -108.2   139.4  Favored    13   61.850     9  0.24    11  0.40  molprobity  1.000  
 62   62  m        -111.8   179.7  Favored     5   63.250     6  0.23     8  0.52  molprobity  1.000  
 63   63  m-20      -63.8   -37.4  Favored     6   62.140     8  0.24    11  0.25  molprobity  1.000  
 64   64  p80       -77.3    -2.4  Favored     7   68.500    11  0.15    15  0.35  molprobity  1.000  
 65   65  m120      -86.5    -2.0  Favored     6   64.450     8  0.24    11  0.40  molprobity  1.000  
 66   66  m-85     -109.3   114.5  Favored     9   58.520    12  0.36    16  0.33  molprobity  1.000  
 67   67  mm?      -103.0   101.3  Favored    11   61.880     8  0.24    11  0.58  molprobity  1.000  
 68   68  t        -102.4   122.8  Favored     9   63.450     7  0.23    10  0.43  molprobity  1.000  
 69   69  mt-30    -118.2   127.3  Favored     8   74.950     9  0.25    12  0.40  molprobity  1.000  
 70   70  ?        -109.9    89.2  Favored     5   74.860     5  0.17     7  0.88  molprobity  1.000  
 71   71  ?          69.9  -113.5  Favored     3   85.320     4  0.27     5  0.51  molprobity  1.000  
 72   72  m-20      -94.2   -19.4  Favored     6   98.390     8  0.26    11  0.36  molprobity  1.000  
 73   73  t         -79.0   141.5  Favored     9   93.570     7  0.24    10  0.39  molprobity  1.000  
 74   74  mp0      -107.5   132.8  Favored     8  116.280     9  0.27    12  0.34  molprobity  1.000  
 75   75  mt        -95.7   124.0  Favored    11   75.650     8  0.25    11  0.38  molprobity  1.000  
 76   76  ttm-85    -77.3   122.2  Favored    13   79.650    11  0.24    14  1.00  molprobity  1.000  
 77   77  t         -84.5   125.0  Favored     9   64.850     7  0.22    10  0.37  molprobity  1.000  
 78   78  pt       -117.1     7.2  Favored    11   62.240     8  0.18    11  0.41  molprobity  1.000  
 79   79  ?        -178.7   136.4  Favored     3   65.280     4  0.29     5  0.13  molprobity  1.000  
 80   80  p-80     -131.1   138.8  Favored     7   54.040    11  0.17    15  0.34  molprobity  1.000  
 81   81  p        -153.6   153.7  Favored     5   48.070     6  0.30     8  0.58  molprobity  1.000  
 82   82  OUTLIER  -126.3   130.7  Favored     9   47.620     8  0.23    10  0.85  molprobity  1.000  
 83   83  pt20     -120.8   124.3  Favored     8   49.690     9  0.26    12  0.56  molprobity  1.000  
 84   84  m-20       55.3  -119.3  Allowed     6   42.740     8  0.23    11  0.26  molprobity  1.000  
 85   85  m        -108.1    24.1  Favored     5   40.420     6  0.26     8  0.37  molprobity  1.000  
 86   86  p        -130.1   149.5  Favored     9   44.710     7  0.23    10  0.45  molprobity  1.000  
 87   87  mp        -99.3   152.0  Favored    11   50.060     8  0.21    11  0.79  molprobity  1.000  
 88   88  mtpt     -128.2   103.5  Favored    13   50.020     9  0.26    11  0.53  molprobity  1.000  
 89   89  mt        -96.2   103.6  Favored    11   53.460     8  0.20    11  0.49  molprobity  1.000  
 90   90  tptt      -69.1   121.1  Favored    13   67.310     9  0.26    11  0.29  molprobity  1.000  
 91   91  m        -111.9   164.4  Favored     9   67.320     7  0.17    10  0.53  molprobity  1.000  
 92   92  p-10      -77.6   -38.9  Favored     4   71.660     8  0.18    11  0.30  molprobity  1.000  
 93   93  p        -104.7   137.5  Favored     7   70.360     7  0.21    10  0.59  molprobity  1.000  
 94   94  ?         -82.9   150.3  Favored     5   58.630     5  0.32     7  0.42  molprobity  1.000  
 95   95  t-20      -69.5   117.5  Favored     6   50.020     8  0.32    12  0.36  molprobity  1.000  
 96   96  Cg_endo   -68.9   -11.5  Favored     7   51.660     8  0.21    11  0.37  molprobity  1.000  
 97   97  mttt     -108.1    23.0  Favored    13   55.600     9  0.26    11  0.21  molprobity  1.000  
 98   98  m         -68.2   118.2  Favored     7   48.440     7  0.29    11  0.62  molprobity  1.000  
 99   99  Cg_endo   -83.6   167.2  Favored     7   49.790     8  0.16    11  0.47  molprobity  1.000  
100  100  mttt      -61.1   121.8  Favored    13   61.790     9  0.25    11  0.33  molprobity  1.000  
101  101  p90      -139.9   161.0  Favored     9   48.930    13  0.25    18  0.45  molprobity  1.000  
102  102  mttt     -136.2   159.3  Favored    13   53.460     9  0.27    11  0.63  molprobity  1.000  
103  103  m-30     -104.3   114.2  Favored     9   41.260    12  0.38    16  0.39  molprobity  1.000  
104  104  t        -123.0   129.2  Favored     9   42.300     7  0.20    10  0.35  molprobity  1.000  
105  105  ttt85     -90.9   104.5  Favored    13   39.500    11  0.22    14  1.02  molprobity  1.000  
106  106  pt        -75.1   158.7  Favored    11   42.680     8  0.28    11  0.53  molprobity  1.000  
107  107  mm-40     -92.3   158.2  Favored     8   49.430     9  0.28    13  0.29  molprobity  1.000  
108  108  Cg_exo    -61.2   150.4  Favored     7   46.280     8  0.22    11  0.36  molprobity  1.000  
109  109  ?          91.0   -29.3  Favored     3   47.180     4  0.47     5  0.38  molprobity  1.000  
110  110  mt-30     -73.8   154.2  Favored     8   58.000     9  0.25    12  0.38  molprobity  1.000  
111  111  p        -110.9   166.3  Favored     7   44.990     7  0.19    10  0.64  molprobity  1.000  
112  112  p90      -163.3   161.1  Favored     9   38.690    12  0.28    16  0.41  molprobity  1.000  
113  113  m         -92.7   138.0  Favored     5   36.800     6  0.22     8  0.32  molprobity  1.000  
114  114  t        -114.0   122.0  Favored     9   35.030     7  0.24    10  0.41  molprobity  1.000  
115  115  tp        -97.9   101.0  Favored    11   35.640     8  0.25    11  0.48  molprobity  1.000  
116  116  ?         -75.2   133.2  Favored     5   41.250     5  0.24     7  0.27  molprobity  1.000  
117  117  m        -136.1   154.2  Favored     5   46.980     6  0.35     8  0.49  molprobity  1.000  
118  118  m-85     -142.4   126.3  Favored     9   59.190    13  0.22    18  0.39  molprobity  1.000  
119  119  m-80       60.0    34.0  Favored     6   61.670     8  0.24    11  0.35  molprobity  1.000  
120  120  ?          76.5     7.6  Favored     3   58.420     4  0.32     5  0.60  molprobity  1.000  
121  121  t        -109.8   124.4  Favored     5   73.840     6  0.30     9  0.37  molprobity  1.000  
122  122  Cg_exo    -62.4   135.0  Favored     7   60.250     8  0.11    11  0.33  molprobity  1.000  
123  123  t        -116.1   -11.5  Favored     5   69.410     6  0.40     8  0.77  molprobity  1.000  
124  124  ?         156.3   163.5  Favored     3   43.980     4  0.38     5  0.68  molprobity  1.000  
125  125  p        -139.7   136.8  Favored     9   37.170     7  0.27    10  0.38  molprobity  1.000  
126  126  p90      -142.8   154.4  Favored     9   39.070    13  0.27    18  0.36  molprobity  1.000  
127  127  tp60      -88.4   138.4  Favored     8   42.100     9  0.27    12  0.39  molprobity  1.000  
128  128  m        -146.3   167.6  Favored     5   47.550     6  0.34     8  0.48  molprobity  1.000  
129  129  m        -146.3   167.6  Favored     5   47.550     6  0.34     8  0.48  molprobity  1.000  
130  130  ?        -125.8   150.4  Favored     5   46.030     5  0.39     7  0.51  molprobity  1.000  
131  131  tpp       -81.1   102.6  Favored     9   41.670     8  0.25    10  0.56  molprobity  1.000  
132  132  mmm180    -62.8   157.2  Favored    13   46.650    11  0.19    15  0.87  molprobity  1.000  
133  133  Cg_exo    -57.4   -28.7  Favored     7   48.560     8  0.23    11  0.32  molprobity  1.000  
134  134  p-10      -86.4    16.2  Favored     6   51.370     8  0.26    11  0.47  molprobity  1.000  
135  135  m-85       64.8    20.3  Favored     9   43.250    12  0.37    16  0.32  molprobity  1.000  
136  136  p         -99.0   169.4  Favored     7   41.970     7  0.20    10  0.62  molprobity  1.000  
137  137  pt       -130.8   149.7  Favored    11   41.380     8  0.21    11  0.55  molprobity  1.000  
138  138  mttm     -107.6    60.0  Allowed    13   46.630     9  0.23    11  0.23  molprobity  1.000  
139  139  ?         -80.6  -147.8  Favored     3   51.730     4  0.29     5  0.46  molprobity  1.000  
140  140  OUTLIER  -149.0   113.8  Favored     5   46.130     6  0.31     8  0.61  molprobity  1.000  
141  141  m-85     -138.5   123.2  Favored     9   44.120    12  0.34    16  0.25  molprobity  1.000  
142  142  mt       -102.5  -177.3  Favored    11   59.210     8  0.22    11  0.48  molprobity  1.000  
143  143  t-20      -63.9   137.6  Favored     6   64.400     8  0.25    11  0.27  molprobity  1.000  
144  144  ?          89.6    -3.2  Favored     3   68.860     4  0.40     5  0.54  molprobity  1.000  
145  145  p         -82.5    -6.7  Favored     5   53.360     6  0.24     8  0.44  molprobity  1.000  
146  146  m         -61.5   141.4  Favored     5   49.980     6  0.19     8  0.24  molprobity  1.000  
147  147  ?          97.1   -12.4  Favored     3   41.240     4  0.43     5  0.48  molprobity  1.000  
148  148  m         -63.0   142.9  Favored     5   37.060     6  0.21     8  0.31  molprobity  1.000  
149  149  m        -113.7   153.0  Favored     9   34.160     7  0.25    10  0.41  molprobity  1.000  
150  150  ?        -108.2   151.8  Favored     3   34.820     4  0.23     5  0.83  molprobity  1.000  
151  151  p90      -161.6   161.8  Favored     9   37.430    12  0.34    16  0.45  molprobity  1.000  
152  152  m120     -128.5   142.8  Favored     6   45.100     8  0.28    11  0.43  molprobity  1.000  
153  153  mm       -112.6   110.0  Favored    11   69.420     8  0.24    11  0.54  molprobity  1.000  
154  154  OUTLIER  -115.8   131.2  Favored     4   95.970     8  0.22    11  0.51  molprobity  1.000  
155  155  t80        58.2  -101.7  Allowed     9  132.390    13  0.21    18  0.41  molprobity  1.000  
156  156  p-10     -129.7     6.9  Favored     4  101.290     8  0.20    11  0.31  molprobity  1.000  
157  157  t         -97.1   130.2  Favored     5   68.800     6  0.49     8  0.30  molprobity  1.000  
158  158  t         -91.8   109.9  Favored     9   52.320     7  0.24    10  0.39  molprobity  1.000  
159  159  OUTLIER   -92.6    95.3  Favored     5   45.260     6  0.13     8  0.46  molprobity  1.000  
160  160  m-85      -74.1   133.5  Favored     9   38.880    12  0.34    16  0.25  molprobity  1.000  
161  161  p        -136.2   -15.2  Allowed     5   35.840     6  0.20     8  0.88  molprobity  1.000  
162  162  t80      -139.7   149.6  Favored     9   34.010    13  0.25    18  0.37  molprobity  1.000  
163  163  ttm      -143.9   120.6  Favored     9   33.150     8  0.28    10  0.55  molprobity  1.000  
164  164  t-80      -70.0   142.3  Favored     7   39.010    11  0.23    15  0.26  molprobity  1.000  
165  165  m80      -127.3   -39.1  Allowed     7   38.980    11  0.14    15  0.49  molprobity  1.000  
166  166  ptp      -158.7   156.1  Favored     9   48.850     8  0.36    10  0.81  molprobity  1.000  
167  167  tt0       -96.1   123.4  Favored     6   49.810     9  0.24    12  0.43  molprobity  1.000  
168  168  mt        -73.2   155.6  Favored    11   52.950     8  0.27    12  0.26  molprobity  1.000  
169  169  Cg_exo    -56.7   -25.7  Favored     7   59.220     8  0.23    11  0.37  molprobity  1.000  
170  170  p         -74.7   -10.9  Favored     7   70.550     7  0.21    10  0.73  molprobity  1.000  
171  171  ?         101.8    -5.7  Favored     3   54.490     4  0.35     5  0.65  molprobity  1.000  
172  172  m         -93.2  -178.5  Allowed     9   48.520     7  0.20    10  0.33  molprobity  1.000  
173  173  m80      -129.4   146.2  Favored     7   42.370    11  0.16    15  0.35  molprobity  1.000  
174  174  ?        -131.3   154.3  Favored     5   39.370     5  0.33     7  0.66  molprobity  1.000  
175  175  ?        -164.9  -171.9  Favored     3   35.220     4  0.37     5  0.71  molprobity  1.000  
176  176  p        -117.6   167.9  Favored     7   33.590     7  0.25    10  0.66  molprobity  1.000  
177  177  p30       -74.8   178.0  Favored     4   37.170     8  0.27    11  0.70  molprobity  1.000  
178  178  mm?       -76.4     3.0  Favored    11   37.230     8  0.22    11  0.46  molprobity  1.000  
179  179  mt-10     -98.9     3.1  Favored     6   44.910     9  0.23    12  0.39  molprobity  1.000  
180  180  ?          91.7    -0.5  Favored     3   38.080     4  0.40     5  0.68  molprobity  1.000  
181  181  m-80      -86.7   118.0  Favored     6   40.100     8  0.22    11  0.32  molprobity  1.000  
182  182  m-85      -60.2   136.5  Favored     9   38.290    12  0.36    16  0.29  molprobity  1.000  
183  183  m-85      -72.3   117.5  Favored     9   37.440    13  0.25    18  0.31  molprobity  1.000  
184  184  ?          90.1  -167.5  Favored     3   41.060     4  0.47     6  0.36  molprobity  1.000  
185  185  Cg_endo   -94.5    27.3  Allowed     7   45.980     8  0.25    11  0.21  molprobity  1.000  
186  186  m-85      -89.5   148.6  Favored     9   43.970    12  0.34    16  0.34  molprobity  1.000  
187  187  m        -121.8   157.9  Favored     9   51.160     7  0.15    10  0.51  molprobity  1.000  
188  188  p-10      -86.3    61.9  Favored     4   50.940     8  0.19    11  0.55  molprobity  1.000  
189  189  mtt180   -135.4   168.0  Favored    13   73.570    11  0.17    14  1.00  molprobity  1.000  
190  190  tt0      -102.5    80.8  Allowed     8   76.170     9  0.20    12  0.81  molprobity  1.000  
191  191  p        -135.3   172.4  Favored     7   74.390     7  0.22    10  0.64  molprobity  1.000  
192  192  ?         -67.3    98.0  Allowed     5   90.290     5  0.20     7  0.51  molprobity  1.000  
193  193  mt-30    -119.5   132.3  Favored     8   62.650     9  0.26    12  0.38  molprobity  1.000  
194  194  ?        -133.2   142.8  Favored     5   68.630     5  0.39     7  0.52  molprobity  1.000  
195  195  ?         -85.2   152.9  Favored     5   75.840     5  0.28     7  0.43  molprobity  1.000  
196  196  ?         -71.4  -164.0  Favored     3   67.880     4  0.27     5  0.14  molprobity  1.000  
197  197  m         -66.1   118.1  Favored     7   65.180     7  0.20    10  0.51  molprobity  1.000  
198  198  t0        -86.2   105.9  Favored     4   67.760     8  0.22    11  0.39  molprobity  1.000  
199  199  p         -93.9   178.1  Favored     7   59.860     7  0.21    10  0.63  molprobity  1.000  
200  200  m         -99.8   130.9  Favored     7   49.300     7  0.19    10  0.51  molprobity  1.000  
201  201  mt        -71.5    98.3  Allowed    11   46.820     8  0.20    11  0.36  molprobity  1.000  
202  202  m         -65.6   -40.4  Favored     7   46.340     7  0.19    10  0.53  molprobity  1.000  
203  203  p         -63.0   -32.0  Favored     9   42.930     7  0.19    10  0.32  molprobity  1.000  
204  204  m-20      -70.8   -37.0  Favored     6   39.860     8  0.22    11  0.25  molprobity  1.000  
205  205  t         -63.1   -41.9  Favored     9   40.830     7  0.24    10  0.35  molprobity  1.000  
206  206  mt        -66.2   -37.1  Favored    11   42.550     8  0.21    11  0.25  molprobity  1.000  
207  207  ?         -64.8   -40.4  Favored     5   40.720     5  0.23     7  0.22  molprobity  1.000  
208  208  t90       -65.9   -29.9  Favored    10   42.740    16  0.17    23  0.25  molprobity  1.000  
209  209  mt        -74.5   -33.8  Favored    11   44.140     8  0.23    11  0.26  molprobity  1.000  
210  210  m-85      -65.5   -40.4  Favored     9   47.740    13  0.25    18  0.23  molprobity  1.000  
211  211  ?         -62.7   -29.2  Favored     5   47.090     5  0.28     7  0.23  molprobity  1.000  
212  212  ?         -67.2   -40.4  Favored     5   50.360     5  0.23     7  0.24  molprobity  1.000  
213  213  t         -65.9   -41.2  Favored     9   51.770     7  0.21    10  0.34  molprobity  1.000  
214  214  mt        -63.1   -32.9  Favored    11   51.970     8  0.19    11  0.26  molprobity  1.000  
215  215  m-80      -86.2   -11.2  Favored     6   53.620     8  0.25    11  0.58  molprobity  1.000  
216  216  ?         121.9   -16.0  Favored     3   58.780     4  0.30     5  0.58  molprobity  1.000  
217  217  m-20      -77.5   118.1  Favored     4   57.360     8  0.20    11  0.27  molprobity  1.000  
218  218  mtm105   -135.4     7.6  Favored    13   73.470    11  0.18    14  0.98  molprobity  1.000  
219  219  p-90      -67.0   -19.9  Favored    10   61.650    16  0.27    23  0.45  molprobity  1.000  
220  220  p90       -89.1   -14.1  Favored     9   58.390    12  0.33    16  0.35  molprobity  1.000  
221  221  mt        -69.0   104.3  Favored    11   68.530     8  0.25    11  0.64  molprobity  1.000  
222  222  p30       -83.2  -174.6  Favored     6   84.530     8  0.36    11  0.51  molprobity  1.000  
223  223  mtt180   -112.0    29.4  Favored    13  138.900    11  0.20    14  0.93  molprobity  1.000  
224  224  m-85     -127.0  -178.1  Favored     9   85.540    12  0.32    16  0.37  molprobity  1.000  
225  225  t        -150.4   176.5  Favored     7   70.010     7  0.23    10  0.55  molprobity  1.000  
226  226  t        -159.9   158.7  Favored     7   68.330     7  0.23    10  0.63  molprobity  1.000  
227  227  t         -91.5   164.2  Favored     7   69.870     7  0.18    10  0.63  molprobity  1.000  
228  228  tp        -63.2   -34.5  Favored    11   64.500     8  0.25    11  0.52  molprobity  1.000  
229  229  m-20      -70.3   -46.6  Favored     6   72.030     8  0.24    11  0.31  molprobity  1.000  
230  230  t70       -67.4   -36.0  Favored     4   85.260     8  0.20    11  0.32  molprobity  1.000  
231  231  t80       -66.5   -40.8  Favored     9   65.980    12  0.35    16  0.24  molprobity  1.000  
232  232  m-20      -65.2   -26.6  Favored     6   63.650     8  0.24    11  0.26  molprobity  1.000  
233  233  tp        -64.5   -43.8  Favored    11   68.460     8  0.22    11  0.32  molprobity  1.000  
234  234  t         -70.7   -33.6  Favored     9   61.260     7  0.19    10  0.37  molprobity  1.000  
235  235  ?         -64.2   -39.4  Favored     5   59.470     5  0.24     7  0.32  molprobity  1.000  
236  236  ttm       -71.7   -29.8  Favored     9   60.610     8  0.25    10  0.49  molprobity  1.000  
237  237  ttmm      -62.0   -40.8  Favored    13   56.700     9  0.24    11  0.22  molprobity  1.000  
238  238  m-85      -99.0    19.8  Favored     9   55.660    13  0.26    18  0.30  molprobity  1.000  
239  239  m-20       58.7    59.1  Favored     6   55.640     8  0.26    11  0.52  molprobity  1.000  
240  240  m-85     -115.4   149.9  Favored     9   49.890    13  0.23    18  0.37  molprobity  1.000  
241  241  tp10      -64.1   139.7  Favored     6   69.710     9  0.26    13  0.34  molprobity  1.000  
242  242  Cg_exo    -66.3   125.8  Favored     7   59.720     8  0.18    11  0.34  molprobity  1.000  
243  243  tp        -78.5   126.1  Favored    11   55.150     8  0.25    11  0.28  molprobity  1.000  
244  244  p        -101.7   170.7  Favored     7   57.270     7  0.17    10  0.65  molprobity  1.000  
245  245  tp60      -67.2   -29.3  Favored     8   59.730     9  0.23    12  0.26  molprobity  1.000  
246  246  m-20      -61.4   -39.0  Favored     4   57.770     8  0.19    11  0.24  molprobity  1.000  
247  247  m170      -62.2   -41.2  Favored     7   54.770    11  0.16    15  0.21  molprobity  1.000  
248  248  t         -63.3   -39.4  Favored     9   56.160     7  0.19    10  0.34  molprobity  1.000  
249  249  m-20      -68.6   -36.6  Favored     4   63.640     8  0.17    11  0.24  molprobity  1.000  
250  250  mt        -67.3   -33.6  Favored    11   54.210     8  0.25    11  0.45  molprobity  1.000  
251  251  mt        -80.0    10.9  Favored    11   49.230     8  0.23    11  0.46  molprobity  1.000  
252  252  ?         -57.5   -58.4  Favored     3   53.490     4  0.42     6  0.29  molprobity  1.000  
253  253  Cg_exo    -60.5   -38.1  Favored     7   53.600     8  0.27    11  0.28  molprobity  1.000  
254  254  mt        -62.0   -37.4  Favored    11   49.960     8  0.22    11  0.27  molprobity  1.000  
255  255  t         -66.9   -40.8  Favored     5   55.160     6  0.21     8  0.28  molprobity  1.000  
256  256  ?         -74.2   -34.4  Favored     5   57.460     5  0.24     7  0.28  molprobity  1.000  
257  257  tt0       -68.6   -31.6  Favored     8   67.840     9  0.24    12  0.28  molprobity  1.000  
258  258  p        -108.3   -21.7  Favored     7   58.600     7  0.25    10  0.81  molprobity  1.000  
259  259  ?          92.6    -9.2  Favored     3   60.030     4  0.44     5  0.73  molprobity  1.000  
260  260  mp        -92.3   123.8  Favored    11   58.790     8  0.19    11  0.49  molprobity  1.000  
261  261  ?         -65.4   158.9  Favored     5   57.270     5  0.24     7  0.49  molprobity  1.000  
262  262  t         -63.9   -45.9  Favored     9   53.200     7  0.20    10  0.37  molprobity  1.000  
263  263  mt        -66.2   -29.4  Favored    11   57.150     8  0.21    11  0.24  molprobity  1.000  
264  264  m-20      -67.7   -37.8  Favored     4   59.970     8  0.17    11  0.26  molprobity  1.000  
265  265  tpp       -73.0   -29.4  Favored     9   52.300     8  0.23    10  0.32  molprobity  1.000  
266  266  m         -63.6   -31.3  Favored     5   54.940     6  0.22     8  0.26  molprobity  1.000  
267  267  ?         -71.9   -37.2  Favored     5   61.290     5  0.22     7  0.26  molprobity  1.000  
268  268  m         -63.5   -39.5  Favored     5   60.370     6  0.23     8  0.27  molprobity  1.000  
269  269  tp        -68.8   -38.3  Favored    11   53.460     8  0.22    11  0.27  molprobity  1.000  
270  270  tttt      -59.2   -41.3  Favored    13   62.610     9  0.24    11  0.26  molprobity  1.000  
271  271  mm-40     -65.0   -36.1  Favored     6   72.630     9  0.21    12  0.31  molprobity  1.000  
272  272  mt        -70.6   -33.6  Favored    11   60.240     8  0.20    11  0.31  molprobity  1.000  
273  273  mt        -71.4   -31.3  Favored    11   55.870     8  0.19    11  0.26  molprobity  1.000  
274  274  mt-30     -93.2   -21.8  Favored     8   62.760     9  0.22    12  0.43  molprobity  1.000  
275  275  m-20     -118.8    -9.5  Favored     6   68.400     8  0.29    11  0.72  molprobity  1.000  
276  276  ?          74.4  -166.0  Favored     3   73.140     4  0.45     5  0.78  molprobity  1.000  
277  277  mtt       -93.4    -8.9  Favored     9   89.170     8  0.22    10  0.45  molprobity  1.000  
278  278  t-20       56.8    30.9  Favored     6  108.050     8  0.24    11  0.34  molprobity  1.000  
279  279  ?          88.2   -10.2  Favored     3   87.910     4  0.42     5  0.60  molprobity  1.000  
280  280  mtp85     -80.0   176.8  Favored    13   86.670    11  0.21    14  0.95  molprobity  1.000  
281  281  p        -133.2   160.2  Favored     7   60.640     7  0.22    10  0.69  molprobity  1.000  
282  282  mt       -131.9   117.1  Favored    11   53.390     8  0.24    11  0.51  molprobity  1.000  
283  283  mt         55.3    39.1  Favored    11   48.510     8  0.21    11  0.35  molprobity  1.000  
284  284  ?          74.8    17.6  Favored     3   49.010     4  0.32     5  0.59  molprobity  1.000  
285  285  t        -129.2   139.8  Favored     5   51.110     6  0.31     8  0.35  molprobity  1.000  
286  286  ?         -91.0    -6.5  Favored     5   52.290     5  0.35     7  0.49  molprobity  1.000  
287  287  mt       -111.8   177.2  Favored    11   48.610     8  0.21    11  0.51  molprobity  1.000  
288  288  mt        -96.2   116.5  Favored    11   45.570     8  0.24    11  0.41  molprobity  1.000  
289  289  mm-40     -83.6   136.0  Favored     6   44.090     9  0.22    12  0.31  molprobity  1.000  
290  290  p-10     -126.8    18.4  Favored     4   43.470     8  0.16    11  0.38  molprobity  1.000  
291  291  mt-10    -111.1    27.9  Favored     6   42.060     9  0.21    12  0.32  molprobity  1.000  
292  292  m-85     -121.5   108.0  Favored     9   41.100    12  0.34    16  0.37  molprobity  1.000  
293  293  p         -67.7   160.9  Favored     7   44.170     7  0.19    11  0.50  molprobity  1.000  
294  294  Cg_exo    -59.1   -26.2  Favored     7   43.550     8  0.21    11  0.30  molprobity  1.000  
295  295  t80       -73.4   -37.9  Favored     9   56.560    12  0.32    16  0.17  molprobity  1.000  
296  296  m-20      -58.4   -37.2  Favored     4   49.640     8  0.18    11  0.25  molprobity  1.000  
297  297  t         -70.9   -44.9  Favored     9   54.790     7  0.16    10  0.33  molprobity  1.000  
298  298  t         -64.2   -34.8  Favored     9   62.410     7  0.18    10  0.38  molprobity  1.000  
299  299  mtp180    -54.1   -50.5  Favored    13   75.760    11  0.22    14  0.96  molprobity  1.000  
300  300  tt0       -86.2   -28.1  Favored     8   61.680     9  0.29    12  0.40  molprobity  1.000  
301  301  m         -91.9    13.1  Favored     5   76.790     6  0.20     8  0.31  molprobity  1.000  
302  302  m        -143.6   -14.0  Allowed     5  102.440     6  0.35     8  0.84  molprobity  1.000  
303  303  ?          77.0    61.4  Favored     3  116.000     4  0.24     5  0.41  molprobity  1.000  
304  304  t         -93.0   125.1  Favored     9  142.280     7  0.26    10  0.42  molprobity  1.000  
305  305  p        -103.1   160.4  Favored     7  139.910     7  0.19    10  0.62  molprobity  1.000  
306  306  OUTLIER  -158.7    75.3  Allowed     9  155.240    12  0.30    16  0.49  molprobity  1.000  
307  307  pt20          ?       ?  ?           8  124.240     8  0.17     9  0.28  molprobity  1.000  
308  308  ?             ?       ?  ?           ?   64.550     ?     ?     ?     ?  ?           1.000  
309  309  ?             ?       ?  ?           ?   49.120     ?     ?     ?     ?  ?           1.000  
310  310  ?             ?       ?  ?           ?   37.480     ?     ?     ?     ?  ?           1.000  
311  311  ?             ?       ?  ?           ?   32.980     ?     ?     ?     ?  ?           1.000  
312  312  ?             ?       ?  ?           ?   58.710     ?     ?     ?     ?  ?           1.000  
313  313  ?             ?       ?  ?           ?   48.840     ?     ?     ?     ?  ?           1.000  
314  314  ?             ?       ?  ?           ?   53.890     ?     ?     ?     ?  ?           1.000  
315  315  ?             ?       ?  ?           ?   39.340     ?     ?     ?     ?  ?           1.000  
316  316  ?             ?       ?  ?           ?   66.070     ?     ?     ?     ?  ?           1.000  
317  317  ?             ?       ?  ?           ?   33.510     ?     ?     ?     ?  ?           1.000  
318  318  ?             ?       ?  ?           ?   46.110     ?     ?     ?     ?  ?           1.000  
319  319  ?             ?       ?  ?           ?   49.410     ?     ?     ?     ?  ?           1.000  
320  320  ?             ?       ?  ?           ?   54.280     ?     ?     ?     ?  ?           1.000  
321  321  ?             ?       ?  ?           ?   37.250     ?     ?     ?     ?  ?           1.000  
322  322  ?             ?       ?  ?           ?   72.400     ?     ?     ?     ?  ?           1.000  
323  323  ?             ?       ?  ?           ?   39.030     ?     ?     ?     ?  ?           1.000  
324  324  ?             ?       ?  ?           ?   42.840     ?     ?     ?     ?  ?           1.000  
325  325  ?             ?       ?  ?           ?   52.050     ?     ?     ?     ?  ?           1.000  
326  326  ?             ?       ?  ?           ?   54.120     ?     ?     ?     ?  ?           1.000  
327  327  ?             ?       ?  ?           ?   41.700     ?     ?     ?     ?  ?           1.000  
328  328  ?             ?       ?  ?           ?   46.280     ?     ?     ?     ?  ?           1.000  
329  329  ?             ?       ?  ?           ?   43.640     ?     ?     ?     ?  ?           1.000  
330  330  ?             ?       ?  ?           ?   32.680     ?     ?     ?     ?  ?           1.000  
331  331  ?             ?       ?  ?           ?   46.820     ?     ?     ?     ?  ?           1.000  
332  332  ?             ?       ?  ?           ?   40.540     ?     ?     ?     ?  ?           1.000  
333  333  ?             ?       ?  ?           ?   55.230     ?     ?     ?     ?  ?           1.000  
334  334  ?             ?       ?  ?           ?   42.210     ?     ?     ?     ?  ?           1.000  
335  335  ?             ?       ?  ?           ?   48.270     ?     ?     ?     ?  ?           1.000  
336  336  ?             ?       ?  ?           ?   50.240     ?     ?     ?     ?  ?           1.000  
337  337  ?             ?       ?  ?           ?   44.470     ?     ?     ?     ?  ?           0.500  
338  338  ?             ?       ?  ?           ?   54.170     ?     ?     ?     ?  ?           1.000  
339  339  ?             ?       ?  ?           ?   56.500     ?     ?     ?     ?  ?           1.000  
340  340  ?             ?       ?  ?           ?   59.590     ?     ?     ?     ?  ?           1.000  
341  341  ?             ?       ?  ?           ?   42.070     ?     ?     ?     ?  ?           1.000  
342  342  ?             ?       ?  ?           ?   48.150     ?     ?     ?     ?  ?           1.000  
#
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  HD3    1  0.41  2.54  
 2    5  HG3    2  0.41  2.02  
 3    9  HD2    3  0.44  1.82  
 4   17  HG3    4  0.49  2.52  
 5   21  HB     5  0.44  2.00  
 6   27  HD13   6  0.42  2.02  
 7   39  HD2    6  0.42  2.02  
 8   40  HD3    7  0.42  2.01  
 9   44  HB3    8  0.58  1.85  
10   48  HB2    8  0.58  1.85  
11   67  HD13   9  0.45  1.80  
12   67  HA     9  0.45  1.80  
13   67  HB2    5  0.44  2.00  
14   69  HG2   10  0.58  1.84  
15   74  HG3   10  0.58  1.84  
16   83  NE2   11  0.59  2.35  
17   83  HE21  12  0.42  1.84  
18   85  HA     7  0.42  2.01  
19   88  HD2   12  0.42  1.84  
20   88  NZ    13  0.41  2.52  
21   92  OD1   14  0.42  2.52  
22   92  N     14  0.42  2.52  
23   95  HB3   15  0.50  2.11  
24   98  OG1   15  0.50  2.11  
25  102  HG3   16  0.48  2.54  
26  114  O     17  0.44  2.17  
27  117  SG     4  0.49  2.52  
28  117  O     18  0.41  2.21  
29  118  CE2   19  0.43  2.54  
30  125  HA    17  0.44  2.17  
31  127  HB3    2  0.41  2.02  
32  141  HB3   20  0.41  2.21  
33  145  HB3   19  0.43  2.54  
34  145  HA    18  0.41  2.21  
35  145  OG    20  0.41  2.21  
36  157  SG    16  0.48  2.54  
37  166  HE1   21  0.64  1.79  
38  166  CE    22  0.45  2.47  
39  166  HE3   23  0.41  1.65  
40  166  HB3   23  0.41  1.65  
41  178  HA    24  0.40  1.88  
42  178  HD13  24  0.40  1.88  
43  188  HA    21  0.64  1.79  
44  188  HA    22  0.45  2.47  
45  226  OG1   25  0.52  2.26  
46  227  HG23  26  0.55  1.70  
47  230  H     26  0.55  1.70  
48  230  OD2   25  0.52  2.26  
49  271  OE2   27  0.46  2.49  
50  275  ND2   27  0.46  2.49  
51  292  CZ     1  0.41  2.54  
52  296  HA    28  0.54  1.90  
53  299  HD3   28  0.54  1.90  
54  306  HE1    3  0.44  1.82  
55  309  O     11  0.59  2.35  
56  312  O     13  0.41  2.52  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   6  0.920  0.193   0.660  
  2    2   4  0.948  0.117  -0.416  
  3    3  11  0.929  0.172   0.231  
  4    4  11  0.851  0.175  -0.111  
  5    5   9  0.938  0.131  -0.836  
  6    6   8  0.933  0.192   0.627  
  7    7   7  0.927  0.198   0.747  
  8    8  11  0.925  0.194   0.600  
  9    9   7  0.942  0.142  -0.094  
 10   10   6  0.982  0.103  -0.738  
 11   11   4  0.982  0.085  -0.887  
 12   12   9  0.956  0.153  -0.564  
 13   13   7  0.939  0.154  -0.099  
 14   14   9  0.974  0.142  -0.580  
 15   15   4  0.978  0.140  -0.078  
 16   16   6  0.975  0.122  -0.204  
 17   17   8  0.968  0.127  -0.435  
 18   18   7  0.967  0.146  -0.233  
 19   19   9  0.912  0.166  -0.136  
 20   20   7  0.953  0.173   0.219  
 21   21   7  0.888  0.255   1.672  
 22   22   6  0.885  0.157   0.489  
 23   23   4  0.856  0.166   0.304  
 24   24   7  0.686  0.285   2.159  
 25   25   7  0.932  0.124  -0.455  
 26   26   7  0.928  0.139  -0.211  
 27   27   8  0.889  0.201   0.540  
 28   28   8  0.943  0.172   0.176  
 29   29   4  0.966  0.139  -0.093  
 30   30   8  0.959  0.168   0.002  
 31   31  14  0.928  0.142  -0.120  
 32   32   8  0.967  0.209   0.670  
 33   33   8  0.908  0.166   0.046  
 34   34   8  0.880  0.229   0.934  
 35   35   7  0.957  0.181   0.353  
 36   36   7  0.895  0.200   0.672  
 37   37  12  0.974  0.147  -0.102  
 38   38   6  0.975  0.127  -0.105  
 39   39   7  0.936  0.161   0.203  
 40   40  11  0.955  0.140  -0.576  
 41   41  10  0.946  0.166   0.149  
 42   42   7  0.932  0.141  -0.317  
 43   43   8  0.929  0.172   0.102  
 44   44   6  0.898  0.125  -0.145  
 45   45   7  0.889  0.252   1.623  
 46   46   6  0.867  0.220   1.079  
 47   47   9  0.678  0.299   1.370  
 48   48   8  0.747  0.182   0.272  
 49   49   8  0.870  0.184   0.497  
 50   50   8  0.879  0.232   1.046  
 51   51   8  0.884  0.141  -0.279  
 52   52   7  0.950  0.102  -0.719  
 53   53   8  0.943  0.183   0.338  
 54   54  12  0.949  0.148  -0.084  
 55   55   9  0.885  0.177  -0.145  
 56   56   8  0.886  0.245   1.159  
 57   57   8  0.913  0.138  -0.488  
 58   58   8  0.906  0.207   0.638  
 59   59   8  0.914  0.247   1.356  
 60   60  11  0.866  0.229   0.605  
 61   61   9  0.860  0.159  -0.489  
 62   62   6  0.856  0.234   1.297  
 63   63   8  0.927  0.164   0.059  
 64   64  10  0.897  0.164   0.119  
 65   65   8  0.877  0.176   0.235  
 66   66  11  0.948  0.154  -0.070  
 67   67   8  0.932  0.185   0.279  
 68   68   7  0.953  0.138  -0.367  
 69   69   9  0.921  0.186   0.136  
 70   70   5  0.910  0.217   1.107  
 71   71   4  0.870  0.243   1.437  
 72   72   8  0.827  0.249   1.307  
 73   73   7  0.760  0.297   2.296  
 74   74   9  0.653  0.304   1.741  
 75   75   8  0.886  0.244   1.241  
 76   76  11  0.795  0.291   1.427  
 77   77   7  0.919  0.156  -0.065  
 78   78   8  0.929  0.185   0.319  
 79   79   4  0.864  0.196   0.746  
 80   80  10  0.934  0.160   0.059  
 81   81   6  0.927  0.148  -0.039  
 82   82   8  0.961  0.137  -0.271  
 83   83   9  0.904  0.208   0.435  
 84   84   8  0.914  0.185   0.367  
 85   85   6  0.936  0.147   0.291  
 86   86   7  0.961  0.168   0.136  
 87   87   8  0.925  0.192   0.393  
 88   88   9  0.905  0.194  -0.056  
 89   89   8  0.914  0.188   0.328  
 90   90   9  0.911  0.198  -0.006  
 91   91   7  0.903  0.215   0.923  
 92   92   8  0.890  0.153  -0.137  
 93   93   7  0.890  0.216   1.039  
 94   94   5  0.958  0.191   0.686  
 95   95   8  0.933  0.176   0.235  
 96   96   7  0.939  0.125  -0.359  
 97   97   9  0.932  0.181  -0.217  
 98   98   7  0.918  0.143  -0.146  
 99   99   7  0.940  0.171   0.359  
100  100   9  0.911  0.263   0.799  
101  101  12  0.955  0.131  -0.383  
102  102   9  0.921  0.170  -0.353  
103  103  11  0.960  0.146  -0.204  
104  104   7  0.945  0.123  -0.618  
105  105  11  0.941  0.145  -0.509  
106  106   8  0.925  0.180   0.236  
107  107   9  0.873  0.199   0.313  
108  108   7  0.940  0.119  -0.453  
109  109   4  0.939  0.180   0.510  
110  110   9  0.864  0.207   0.422  
111  111   7  0.955  0.131  -0.341  
112  112  11  0.967  0.128  -0.506  
113  113   6  0.951  0.130  -0.318  
114  114   7  0.956  0.143  -0.283  
115  115   8  0.914  0.185   0.279  
116  116   5  0.927  0.135  -0.222  
117  117   6  0.938  0.157   0.489  
118  118  12  0.884  0.173   0.355  
119  119   8  0.875  0.182   0.323  
120  120   4  0.938  0.131  -0.210  
121  121   6  0.901  0.191   0.629  
122  122   7  0.957  0.158   0.156  
123  123   6  0.919  0.213   0.970  
124  124   4  0.897  0.220   1.099  
125  125   7  0.960  0.168   0.136  
126  126  12  0.939  0.165   0.214  
127  127   9  0.930  0.167  -0.122  
128  128   9  0.855  0.256   2.450  
129  129   9  0.855  0.256   2.450  
130  130   5  0.947  0.140  -0.141  
131  131   8  0.947  0.163   0.154  
132  132  11  0.918  0.182  -0.019  
133  133   7  0.934  0.244   1.500  
134  134   8  0.930  0.147  -0.191  
135  135  11  0.901  0.235   1.286  
136  136   7  0.930  0.199   0.763  
137  137   8  0.925  0.190   0.403  
138  138   9  0.881  0.263   0.799  
139  139   4  0.923  0.152   0.099  
140  140   6  0.932  0.167   0.256  
141  141  11  0.950  0.183   0.415  
142  142   8  0.899  0.179   0.181  
143  143   8  0.876  0.215   0.808  
144  144   4  0.911  0.160   0.216  
145  145   6  0.957  0.131  -0.303  
146  146   6  0.961  0.129  -0.065  
147  147   4  0.957  0.134  -0.166  
148  148   6  0.905  0.139  -0.179  
149  149   7  0.968  0.121  -0.652  
150  150   4  0.964  0.122  -0.343  
151  151  11  0.963  0.169   0.181  
152  152   8  0.924  0.171   0.162  
153  153   8  0.872  0.270   1.741  
154  154   8  0.821  0.169   0.089  
155  155  12  0.816  0.423   4.749  
156  156   8  0.845  0.207   0.624  
157  157   6  0.885  0.154   0.430  
158  158   7  0.922  0.195   0.588  
159  159   6  0.952  0.128  -0.349  
160  160  11  0.977  0.137  -0.355  
161  161   6  0.948  0.112  -0.402  
162  162  12  0.966  0.149  -0.067  
163  163   8  0.970  0.133  -0.337  
164  164  10  0.943  0.176   0.299  
165  165  10  0.952  0.151  -0.077  
166  166   8  0.841  0.243   1.461  
167  167   9  0.904  0.161  -0.344  
168  168   8  0.923  0.177   0.148  
169  169   7  0.920  0.129  -0.297  
170  170   7  0.872  0.186   0.552  
171  171   4  0.910  0.111  -0.504  
172  172   7  0.951  0.175   0.253  
173  173  10  0.954  0.142  -0.212  
174  174   5  0.965  0.142  -0.109  
175  175   4  0.955  0.143  -0.034  
176  176   7  0.934  0.129  -0.373  
177  177   8  0.969  0.113  -0.700  
178  178   8  0.968  0.134  -0.553  
179  179   9  0.920  0.190   0.016  
180  180   4  0.933  0.162   0.246  
181  181   8  0.933  0.170   0.147  
182  182  11  0.961  0.134  -0.405  
183  183  12  0.956  0.159   0.109  
184  184   4  0.943  0.122  -0.343  
185  185   7  0.934  0.191   0.672  
186  186  11  0.918  0.148  -0.171  
187  187   7  0.970  0.127  -0.551  
188  188   8  0.884  0.166   0.046  
189  189  11  0.793  0.286   1.361  
190  190   9  0.852  0.276   1.361  
191  191   7  0.849  0.190   0.617  
192  192   5  0.850  0.185   0.588  
193  193   9  0.870  0.183   0.095  
194  194   5  0.765  0.216   1.091  
195  195   5  0.860  0.198   0.799  
196  196   4  0.917  0.157   0.172  
197  197   7  0.849  0.258   1.721  
198  198   8  0.860  0.202   0.554  
199  199   7  0.875  0.187   0.568  
200  200   7  0.948  0.151  -0.016  
201  201   8  0.925  0.170   0.069  
202  202   7  0.966  0.160   0.130  
203  203   7  0.975  0.116  -0.735  
204  204   8  0.944  0.145  -0.220  
205  205   7  0.957  0.119  -0.685  
206  206   8  0.961  0.155  -0.210  
207  207   5  0.963  0.115  -0.546  
208  208  14  0.950  0.112  -0.682  
209  209   8  0.946  0.153  -0.243  
210  210  12  0.937  0.139  -0.243  
211  211   5  0.932  0.195   0.750  
212  212   5  0.893  0.146  -0.044  
213  213   7  0.950  0.179   0.320  
214  214   8  0.929  0.150  -0.266  
215  215   8  0.860  0.195   0.514  
216  216   4  0.946  0.198   0.775  
217  217   8  0.907  0.176   0.187  
218  218  11  0.883  0.278   1.255  
219  219  14  0.945  0.219   1.322  
220  220  11  0.925  0.197   0.650  
221  221   8  0.943  0.271   1.682  
222  222   8  0.802  0.256   1.410  
223  223  11  0.734  0.569   5.114  
224  224  11  0.900  0.283   2.090  
225  225   7  0.868  0.200   0.779  
226  226   7  0.912  0.154   0.032  
227  227   7  0.845  0.160   0.130  
228  228   8  0.915  0.241   1.192  
229  229   8  0.876  0.234   1.087  
230  230   8  0.756  0.239   1.075  
231  231  11  0.892  0.253   1.588  
232  232   8  0.960  0.165   0.073  
233  233   8  0.907  0.153  -0.243  
234  234   7  0.903  0.186   0.437  
235  235   5  0.918  0.194   0.734  
236  236   8  0.930  0.146  -0.124  
237  237   9  0.908  0.205   0.081  
238  238  12  0.912  0.151  -0.032  
239  239   8  0.916  0.242   1.204  
240  240  12  0.971  0.157   0.074  
241  241   9  0.889  0.167  -0.270  
242  242   7  0.952  0.169   0.328  
243  243   8  0.923  0.182   0.230  
244  244   7  0.915  0.184   0.519  
245  245   9  0.919  0.180   0.054  
246  246   8  0.952  0.124  -0.545  
247  247  10  0.944  0.164   0.119  
248  248   7  0.950  0.151  -0.149  
249  249   8  0.922  0.155  -0.108  
250  250   8  0.952  0.158  -0.132  
251  251   8  0.944  0.162  -0.096  
252  252   4  0.953  0.141  -0.063  
253  253   7  0.924  0.131  -0.266  
254  254   8  0.956  0.135  -0.537  
255  255   6  0.809  0.215   1.002  
256  256   5  0.952  0.126  -0.368  
257  257   9  0.867  0.216   0.544  
258  258   7  0.938  0.118  -0.552  
259  259   4  0.885  0.190   0.657  
260  260   8  0.946  0.163  -0.048  
261  261   5  0.957  0.204   0.896  
262  262   7  0.930  0.152  -0.132  
263  263   8  0.925  0.188   0.328  
264  264   8  0.942  0.183   0.286  
265  265   8  0.935  0.157   0.056  
266  266   6  0.962  0.112  -0.402  
267  267   5  0.888  0.195   0.750  
268  268   6  0.925  0.145  -0.085  
269  269   8  0.924  0.188   0.328  
270  270   9  0.925  0.224   0.316  
271  271   9  0.837  0.237   0.600  
272  272   8  0.942  0.172   0.067  
273  273   8  0.924  0.161  -0.113  
274  274   9  0.925  0.144  -0.435  
275  275   8  0.883  0.159  -0.015  
276  276   4  0.916  0.111  -0.504  
277  277   8  0.828  0.234   1.314  
278  278   8  0.825  0.241   1.189  
279  279   4  0.849  0.226   1.187  
280  280  11  0.691  0.316   1.759  
281  281   7  0.941  0.129  -0.373  
282  282   8  0.948  0.128  -0.634  
283  283   8  0.970  0.109  -0.961  
284  284   4  0.961  0.123  -0.328  
285  285   6  0.968  0.129  -0.334  
286  286   5  0.967  0.101  -0.773  
287  287   8  0.953  0.147  -0.341  
288  288   8  0.928  0.164  -0.064  
289  289   9  0.962  0.195   0.078  
290  290   8  0.963  0.124  -0.545  
291  291   9  0.950  0.150  -0.481  
292  292  11  0.948  0.188   0.499  
293  293   7  0.962  0.165   0.211  
294  294   7  0.973  0.096  -0.812  
295  295  11  0.892  0.199   0.683  
296  296   8  0.954  0.138  -0.348  
297  297   7  0.924  0.188   0.471  
298  298   7  0.944  0.116  -0.735  
299  299  11  0.778  0.344   2.130  
300  300   9  0.902  0.175  -0.014  
301  301   6  0.801  0.161   0.568  
302  302   6  0.689  0.223   1.126  
303  303   4  0.308  0.522   5.540  
304  304   7  0.610  0.534   6.266  
305  305   7  0.579  0.451   4.854  
306  306  11  0.599  0.584   7.132  
307  307   9  0.494  0.620   6.041  
308  308   1  0.834  0.293       ?  
309  309   1  0.974  0.346       ?  
310  310   1  0.964  0.173       ?  
311  311   1  0.876  0.559       ?  
312  312   1  0.868  0.207       ?  
313  313   1  0.931  0.160       ?  
314  314   1  0.900  0.120       ?  
315  315   1  0.833  0.257       ?  
316  316   1  0.813  0.279       ?  
317  317   1  0.912  0.282       ?  
318  318   1  0.870  0.651       ?  
319  319   1  0.942  0.131       ?  
320  320   1  0.861  0.216       ?  
321  321   1  0.799  0.332       ?  
322  322   1  0.551  0.300       ?  
323  323   1  0.879  0.234       ?  
324  324   1  0.909  0.288       ?  
325  325   1  0.882  0.249       ?  
326  326   1  0.892  0.194       ?  
327  327   1  0.637  0.304       ?  
328  328   1  0.759  0.252       ?  
329  329   1  0.808  0.308       ?  
330  330   1  0.929  0.237       ?  
331  331   1  0.900  0.201       ?  
332  332   1  0.881  0.198       ?  
333  333   1  0.821  0.199       ?  
334  334   1  0.904  0.284       ?  
335  335   1  0.887  0.169       ?  
336  336   1  0.703  0.247       ?  
337  337   1  0.919  0.470       ?  
338  338   1  0.860  0.151       ?  
339  339   1  0.859  0.189       ?  
340  340   1  0.851  0.197       ?  
341  341   1  0.874  0.340       ?  
342  342   1  0.901  0.116       ?  
#
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  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
