data_7UW8

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7UW8
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7UW8
_pdbx_vrpt_summary.PDB_deposition_date         2022-05-03
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-10-18
_pdbx_vrpt_summary.report_creation_date        2023-10-09:11:04
_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  "Histone-lysine N-methyltransferase eggless"  
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  2.5  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   92.45  141614     ?     ?  
 2  2  1   96.17    5346  2.50  2.50  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5231  2.50  2.50  
 5  1  3   58.54  138945     ?     ?  
 6  2  3   81.33    5233  2.50  2.50  
 7  1  4   42.35  127900     ?     ?  
 8  2  4   45.78    4559  2.50  2.50  
 9  1  5    8.24  130704     ?     ?  
10  2  5   12.12    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   58.54  
4  6  3  A  1  1  A   81.33  
5  7  4  A  1  1  A   42.35  
6  8  4  A  1  1  A   45.78  
#
_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      0.71
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.51
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1777
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2427
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.75
_pdbx_vrpt_summary_geometry.clashscore                     1.49
_pdbx_vrpt_summary_geometry.num_H_reduce                   1624
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1777
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.51
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2427
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.71
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 125.555
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            49.692
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         54.260
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.87(2.51A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        13521
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.173
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.335
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.504
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.342
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.934
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-l,-k:0.000
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.29
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               38.91
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[84.316,34.168,54.370,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.870
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.76% 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         99.10
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      629
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.65
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.62
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        38.91
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_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    6  GLU  A  449  .  ?        ?  
  2  1  1  A    7  VAL  A  450  .  ?        ?  
  3  1  1  A    8  PRO  A  451  .  ?        ?  
  4  1  1  A    9  PRO  A  452  .  ?        ?  
  5  1  1  A   10  PRO  A  453  .  ?        ?  
  6  1  1  A   11  GLY  A  454  .  ?        ?  
  7  1  1  A   12  GLU  A  455  .  ?        ?  
  8  1  1  A   13  ILE  A  456  .  ?        ?  
  9  1  1  A   14  VAL  A  457  .  ?        ?  
 10  1  1  A   15  ARG  A  458  .  ?        ?  
 11  1  1  A   16  PRO  A  459  .  ?        ?  
 12  1  1  A   17  PRO  A  460  .  ?        ?  
 13  1  1  A   18  ILE  A  461  .  ?        ?  
 14  1  1  A   19  GLN  A  462  .  ?        ?  
 15  1  1  A   20  LEU  A  463  .  ?        ?  
 16  1  1  A   21  GLY  A  464  .  ?        ?  
 17  1  1  A   22  GLU  A  465  .  ?        ?  
 18  1  1  A   23  THR  A  466  .  ?        ?  
 19  1  1  A   24  TYR  A  467  .  ?        ?  
 20  1  1  A   25  TYR  A  468  .  ?        ?  
 21  1  1  A   26  ALA  A  469  .  ?        ?  
 22  1  1  A   27  VAL  A  470  .  ?        ?  
 23  1  1  A   28  LYS  A  471  .  ?        ?  
 24  1  1  A   29  ASN  A  472  .  ?        ?  
 25  1  1  A   30  LYS  A  473  .  ?        ?  
 26  1  1  A   31  ALA  A  474  .  ?        1  
 27  1  1  A   32  ILE  A  475  .  ?        ?  
 28  1  1  A   33  ALA  A  476  .  ?        ?  
 29  1  1  A   34  SER  A  477  .  ?        ?  
 30  1  1  A   35  TRP  A  478  .  ?        ?  
 31  1  1  A   36  VAL  A  479  .  ?        ?  
 32  1  1  A   37  SER  A  480  .  ?        1  
 33  1  1  A   38  ILE  A  481  .  ?        1  
 34  1  1  A   39  LYS  A  482  .  ?        ?  
 35  1  1  A   40  VAL  A  483  .  ?        ?  
 36  1  1  A   41  ILE  A  484  .  ?        ?  
 37  1  1  A   42  GLU  A  485  .  ?        ?  
 38  1  1  A   43  PHE  A  486  .  ?        ?  
 39  1  1  A   44  THR  A  487  .  ?        ?  
 40  1  1  A   45  GLU  A  488  .  ?        ?  
 41  1  1  A   46  SER  A  489  .  ?        ?  
 42  1  1  A   47  THR  A  490  .  ?        ?  
 43  1  1  A   48  ALA  A  491  .  ?        ?  
 44  1  1  A   49  ILE  A  492  .  ?        ?  
 45  1  1  A   50  ASN  A  493  .  ?        ?  
 46  1  1  A   51  GLY  A  494  .  ?        ?  
 47  1  1  A   52  ASN  A  495  .  ?        ?  
 48  1  1  A   53  THR  A  496  .  ?        ?  
 49  1  1  A   54  MET  A  497  .  ?        ?  
 50  1  1  A   55  LYS  A  498  .  ?        ?  
 51  1  1  A   56  SER  A  499  .  ?        ?  
 52  1  1  A   57  TYR  A  500  .  ?        ?  
 53  1  1  A   58  LYS  A  501  .  ?        ?  
 54  1  1  A   59  ILE  A  502  .  ?        1  
 55  1  1  A   60  ARG  A  503  .  ?        ?  
 56  1  1  A   61  TYR  A  504  .  ?        ?  
 57  1  1  A   62  LEU  A  505  .  ?        1  
 58  1  1  A   63  ASN  A  506  .  ?        ?  
 59  1  1  A   64  THR  A  507  .  ?        ?  
 60  1  1  A   65  PRO  A  508  .  ?        ?  
 61  1  1  A   66  TYR  A  509  .  ?        ?  
 62  1  1  A   67  GLN  A  510  .  ?        ?  
 63  1  1  A   68  MET  A  511  .  ?        ?  
 64  1  1  A   69  ILE  A  512  .  ?        ?  
 65  1  1  A   70  LYS  A  513  .  ?        ?  
 66  1  1  A   71  THR  A  514  .  ?        ?  
 67  1  1  A   72  VAL  A  515  .  ?        ?  
 68  1  1  A   73  THR  A  516  .  ?        1  
 69  1  1  A   74  ALA  A  517  .  ?        ?  
 70  1  1  A   75  LYS  A  518  .  ?        1  
 71  1  1  A   76  HIS  A  519  .  ?        ?  
 72  1  1  A   77  ILE  A  520  .  ?        ?  
 73  1  1  A   78  ALA  A  521  .  ?        ?  
 74  1  1  A   79  TYR  A  522  .  ?        ?  
 75  1  1  A   80  PHE  A  523  .  ?        ?  
 76  1  1  A   81  GLU  A  524  .  ?        ?  
 77  1  1  A   82  PRO  A  525  .  ?        ?  
 78  1  1  A   83  PRO  A  526  .  ?        ?  
 79  1  1  A   84  PRO  A  527  .  ?        ?  
 80  1  1  A   85  VAL  A  528  .  ?        ?  
 81  1  1  A   86  ARG  A  529  .  ?        ?  
 82  1  1  A   87  LEU  A  530  .  ?        ?  
 83  1  1  A   88  THR  A  531  .  ?        ?  
 84  1  1  A   89  ILE  A  532  .  ?        ?  
 85  1  1  A   90  GLY  A  533  .  ?        ?  
 86  1  1  A   91  THR  A  534  .  ?        ?  
 87  1  1  A   92  ARG  A  535  .  ?        1  
 88  1  1  A   93  VAL  A  536  .  ?        ?  
 89  1  1  A   94  ILE  A  537  .  ?        ?  
 90  1  1  A   95  ALA  A  538  .  ?        ?  
 91  1  1  A   96  TYR  A  539  .  ?        ?  
 92  1  1  A   97  PHE  A  540  .  ?        ?  
 93  1  1  A   98  ASP  A  541  .  ?        ?  
 94  1  1  A  112  GLN  A  555  .  ?        ?  
 95  1  1  A  113  SER  A  556  .  ?        ?  
 96  1  1  A  114  ALA  A  557  .  ?        ?  
 97  1  1  A  115  PHE  A  558  .  ?        ?  
 98  1  1  A  116  TYR  A  559  .  ?        ?  
 99  1  1  A  117  PRO  A  560  .  ?        2  
100  1  1  A  118  GLY  A  561  .  ?        ?  
101  1  1  A  119  ILE  A  562  .  ?        ?  
102  1  1  A  120  ILE  A  563  .  ?        ?  
103  1  1  A  121  ALA  A  564  .  ?        ?  
104  1  1  A  122  GLU  A  565  .  ?        ?  
105  1  1  A  123  PRO  A  566  .  ?        ?  
106  1  1  A  124  LEU  A  567  .  ?        ?  
107  1  1  A  125  LYS  A  568  .  ?        ?  
108  1  1  A  126  GLN  A  569  .  ?        ?  
109  1  1  A  127  ALA  A  570  .  ?        ?  
110  1  1  A  128  ASN  A  571  .  ?        ?  
111  1  1  A  129  ARG  A  572  .  ?        ?  
112  1  1  A  130  TYR  A  573  .  ?        ?  
113  1  1  A  131  ARG  A  574  .  ?        ?  
114  1  1  A  132  TYR  A  575  .  ?        ?  
115  1  1  A  133  LEU  A  576  .  ?        ?  
116  1  1  A  134  ILE  A  577  .  ?        ?  
117  1  1  A  135  PHE  A  578  .  ?        ?  
118  1  1  A  136  TYR  A  579  .  ?        ?  
119  1  1  A  137  ASP  A  580  .  ?        ?  
120  1  1  A  138  ASP  A  581  .  ?        ?  
121  1  1  A  139  GLY  A  582  .  ?        ?  
122  1  1  A  140  TYR  A  583  .  ?        ?  
123  1  1  A  141  THR  A  584  .  ?        ?  
124  1  1  A  142  GLN  A  585  .  ?        ?  
125  1  1  A  143  TYR  A  586  .  ?        ?  
126  1  1  A  144  VAL  A  587  .  ?        ?  
127  1  1  A  145  PRO  A  588  .  ?        ?  
128  1  1  A  146  HIS  A  589  .  ?        ?  
129  1  1  A  147  ARG  A  590  .  ?        ?  
130  1  1  A  148  ASP  A  591  .  ?        ?  
131  1  1  A  149  VAL  A  592  .  ?        ?  
132  1  1  A  150  ARG  A  593  .  ?        ?  
133  1  1  A  151  LEU  A  594  .  ?        ?  
134  1  1  A  152  VAL  A  595  .  ?        ?  
135  1  1  A  153  CYS  A  596  .  ?        ?  
136  1  1  A  154  GLN  A  597  .  ?        ?  
137  1  1  A  155  ALA  A  598  .  ?        ?  
138  1  1  A  156  SER  A  599  .  ?        ?  
139  1  1  A  157  GLU  A  600  .  ?        ?  
140  1  1  A  158  LYS  A  601  .  ?        ?  
141  1  1  A  159  VAL  A  602  .  ?        ?  
142  1  1  A  160  TRP  A  603  .  ?        ?  
143  1  1  A  161  GLU  A  604  .  ?        ?  
144  1  1  A  162  ASP  A  605  .  ?        ?  
145  1  1  A  163  VAL  A  606  .  ?        ?  
146  1  1  A  168  ARG  A  611  .  ?        ?  
147  1  1  A  169  ASP  A  612  .  ?        ?  
148  1  1  A  170  PHE  A  613  .  ?        ?  
149  1  1  A  171  ILE  A  614  .  ?        ?  
150  1  1  A  172  GLN  A  615  .  ?        ?  
151  1  1  A  173  LYS  A  616  .  ?        ?  
152  1  1  A  174  TYR  A  617  .  ?        ?  
153  1  1  A  175  VAL  A  618  .  ?        ?  
154  1  1  A  176  GLU  A  619  .  ?        ?  
155  1  1  A  177  LYS  A  620  .  ?        ?  
156  1  1  A  178  TYR  A  621  .  ?        ?  
157  1  1  A  179  SER  A  622  .  ?        ?  
158  1  1  A  180  VAL  A  623  .  ?        ?  
159  1  1  A  181  ASP  A  624  .  ?        ?  
160  1  1  A  182  ARG  A  625  .  ?        ?  
161  1  1  A  183  PRO  A  626  .  ?        ?  
162  1  1  A  184  MET  A  627  .  ?        ?  
163  1  1  A  185  VAL  A  628  .  ?        ?  
164  1  1  A  186  GLN  A  629  .  ?        ?  
165  1  1  A  187  CYS  A  630  .  ?        ?  
166  1  1  A  188  THR  A  631  .  ?        ?  
167  1  1  A  189  ARG  A  632  .  ?        ?  
168  1  1  A  190  GLY  A  633  .  ?        ?  
169  1  1  A  191  GLN  A  634  .  ?        ?  
170  1  1  A  192  SER  A  635  .  ?        ?  
171  1  1  A  193  MET  A  636  .  ?        ?  
172  1  1  A  194  THR  A  637  .  ?        ?  
173  1  1  A  195  THR  A  638  .  ?        ?  
174  1  1  A  196  GLU  A  639  .  ?        ?  
175  1  1  A  197  SER  A  640  .  ?        ?  
176  1  1  A  198  ASN  A  641  .  ?        ?  
177  1  1  A  199  GLY  A  642  .  ?        ?  
178  1  1  A  200  THR  A  643  .  ?        ?  
179  1  1  A  201  TRP  A  644  .  ?        ?  
180  1  1  A  202  LEU  A  645  .  ?        ?  
181  1  1  A  203  TYR  A  646  .  ?        ?  
182  1  1  A  204  ALA  A  647  .  ?        ?  
183  1  1  A  205  ARG  A  648  .  ?        ?  
184  1  1  A  206  VAL  A  649  .  ?        ?  
185  1  1  A  207  ILE  A  650  .  ?        ?  
186  1  1  A  208  ASP  A  651  .  ?        ?  
187  1  1  A  209  ILE  A  652  .  ?        ?  
188  1  1  A  210  ASP  A  653  .  ?        ?  
189  1  1  A  211  CYS  A  654  .  ?        ?  
190  1  1  A  212  SER  A  655  .  ?        ?  
191  1  1  A  213  LEU  A  656  .  ?        ?  
192  1  1  A  214  VAL  A  657  .  ?        ?  
193  1  1  A  215  LEU  A  658  .  ?        ?  
194  1  1  A  216  MET  A  659  .  ?        ?  
195  1  1  A  217  GLN  A  660  .  ?        ?  
196  1  1  A  218  PHE  A  661  .  ?        ?  
197  1  1  A  219  GLU  A  662  .  ?        ?  
198  1  1  A  223  ASN  A  666  .  ?        ?  
199  1  1  A  224  HIS  A  667  .  ?        ?  
200  1  1  A  225  THR  A  668  .  ?        ?  
201  1  1  A  226  GLU  A  669  .  ?        ?  
202  1  1  A  227  TRP  A  670  .  ?        ?  
203  1  1  A  228  ILE  A  671  .  ?        ?  
204  1  1  A  229  TYR  A  672  .  ?        ?  
205  1  1  A  230  ARG  A  673  .  ?        ?  
206  1  1  A  231  GLY  A  674  .  ?        ?  
207  1  1  A  232  SER  A  675  .  ?        ?  
208  1  1  A  233  LEU  A  676  .  ?        ?  
209  1  1  A  234  ARG  A  677  .  ?        ?  
210  1  1  A  235  LEU  A  678  .  ?        ?  
211  1  1  A  236  GLY  A  679  .  ?        ?  
212  1  1  A  237  PRO  A  680  .  ?        ?  
213  1  1  A  238  VAL  A  681  .  ?        ?  
214  1  1  A  239  PHE  A  682  .  ?        ?  
215  1  1  A  240  ARG  A  683  .  ?        ?  
216  1  1  A  241  GLU  A  684  .  ?        ?  
217  1  1  A  242  THR  A  685  .  ?        ?  
218  1  1  A  243  GLN  A  686  .  ?        ?  
219  1  1  A  244  ASN  A  687  .  ?        ?  
220  1  1  A  245  ASN  A  688  .  ?        ?  
221  1  1  A  246  MET  A  689  .  ?        ?  
222  1  2  B    .  HOH  A  801  .  ?        ?  
223  1  2  B    .  HOH  A  802  .  ?        ?  
224  1  2  B    .  HOH  A  803  .  ?        ?  
225  1  2  B    .  HOH  A  804  .  ?        ?  
226  1  2  B    .  HOH  A  805  .  ?        ?  
227  1  2  B    .  HOH  A  806  .  ?        ?  
228  1  2  B    .  HOH  A  807  .  ?        ?  
229  1  2  B    .  HOH  A  808  .  ?        ?  
230  1  2  B    .  HOH  A  809  .  ?        ?  
231  1  2  B    .  HOH  A  810  .  ?        ?  
232  1  2  B    .  HOH  A  811  .  ?        ?  
233  1  2  B    .  HOH  A  812  .  ?        ?  
234  1  2  B    .  HOH  A  813  .  ?        ?  
235  1  2  B    .  HOH  A  814  .  ?        ?  
236  1  2  B    .  HOH  A  815  .  ?        ?  
#
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  ?             ?       ?  ?           1   77.660     5  0.81     7  0.46  molprobity  1.000  
  2    2  t        -104.0   112.0  Favored     9   73.810     7  0.61    11  0.52  molprobity  1.000  
  3    3  Cg_exo    -64.9   155.2  Favored     7   64.880     8  0.63    12  0.53  molprobity  1.000  
  4    4  Cg_endo   -75.5   163.4  Favored     7   59.620     8  0.52    12  0.57  molprobity  1.000  
  5    5  Cg_endo   -72.0   173.6  Favored     7   56.040     8  0.39    11  0.63  molprobity  1.000  
  6    6  ?         152.9   177.8  Favored     3   60.260     4  0.54     5  0.87  molprobity  1.000  
  7    7  mt-10     -68.1   130.3  Favored     6   72.660     9  0.27    12  0.80  molprobity  1.000  
  8    8  mt        -78.7   118.7  Favored    11   66.010     8  0.55    11  0.90  molprobity  1.000  
  9    9  t        -106.9   133.3  Favored     9   68.930     7  0.43    10  0.56  molprobity  1.000  
 10   10  mtt-85   -116.4    86.4  Favored    13   72.820    11  0.47    15  0.86  molprobity  1.000  
 11   11  Cg_exo    -63.4   152.4  Favored     7   69.900     8  0.38    12  0.57  molprobity  1.000  
 12   12  Cg_endo   -60.7   154.2  Favored     7   67.600     8  0.29    11  0.40  molprobity  1.000  
 13   13  mt        -72.7   129.4  Favored    11   65.740     8  0.36    11  0.58  molprobity  1.000  
 14   14  mt-30    -104.1   131.8  Favored     8   86.830     9  0.46    12  0.64  molprobity  1.000  
 15   15  mt        -62.7   130.0  Favored    11   65.600     8  0.43    11  0.86  molprobity  1.000  
 16   16  ?          89.1    -6.5  Favored     3   66.220     4  0.25     5  0.32  molprobity  1.000  
 17   17  mm-40     -89.1   153.2  Favored     6   81.410     9  0.42    12  0.80  molprobity  1.000  
 18   18  m         -88.0   135.6  Favored     7   61.650     7  0.42    10  0.80  molprobity  1.000  
 19   19  m-85     -141.3  -175.6  Favored     9   64.000    13  0.28    18  0.57  molprobity  1.000  
 20   20  m-85     -114.6   143.9  Favored     9   58.480    13  0.31    18  0.58  molprobity  1.000  
 21   21  ?        -150.0   161.0  Favored     5   56.710     5  0.66     7  0.63  molprobity  1.000  
 22   22  m         -51.3   131.4  Favored     9   64.880     7  0.90    10  0.70  molprobity  1.000  
 23   23  ?         -80.8   -59.0  Favored     8   76.680     8  0.44    10  0.71  molprobity  1.000  
 24   24  p30      -130.1   -89.3  Allowed     6   87.660     8  0.70    11  0.88  molprobity  1.000  
 25   25  ?         -78.6   136.8  Favored     4   74.160     6  0.43     8  0.74  molprobity  1.000  
 26   26  ?         -59.6   -41.5  Favored     5   71.620     5  0.70     7  1.20  molprobity  1.000  
 27   27  ?         -70.0   -26.2  Favored     6   70.340     7  1.16    10  1.15  molprobity  1.000  
 28   28  ?         -81.4  -175.7  Favored     5   66.320     5  0.68     7  0.95  molprobity  1.000  
 29   29  p         -55.5   151.2  Favored     5   64.260     6  0.37     8  1.13  molprobity  1.000  
 30   30  m0       -116.2   139.4  Favored    10   57.130    16  0.36    23  0.37  molprobity  1.000  
 31   31  m        -132.4   167.8  Favored     9   62.430     7  0.56    10  0.89  molprobity  1.000  
 32   32  m         -57.3   126.7  Favored     5   64.340     6  0.24     8  0.87  molprobity  1.000  
 33   33  pp       -137.9   162.1  Favored    11   60.500     8  0.65    11  0.83  molprobity  1.000  
 34   34  ?        -123.5   127.4  Favored     2   59.760     5  0.29     7  1.11  molprobity  1.000  
 35   35  t         -77.6   119.4  Favored     9   56.900     7  0.30    10  0.74  molprobity  1.000  
 36   36  pt       -107.2   -10.0  Favored    11   62.080     8  0.67    11  0.43  molprobity  1.000  
 37   37  tt0      -157.8   145.4  Favored     6   78.690     9  0.21    12  0.31  molprobity  1.000  
 38   38  t80      -114.9   120.2  Favored     9   69.300    12  0.47    16  0.29  molprobity  1.000  
 39   39  m        -114.2   141.4  Favored     7   61.700     7  0.32    10  0.50  molprobity  1.000  
 40   40  tt0      -140.1   136.3  Favored     6   74.390     9  0.27    12  0.73  molprobity  1.000  
 41   41  m        -126.2   138.7  Favored     5   67.720     6  0.27     8  0.51  molprobity  1.000  
 42   42  m        -129.1   132.7  Favored     7   72.600     7  0.39    10  0.55  molprobity  1.000  
 43   43  ?         -97.7   167.2  Favored     5   72.040     5  0.63     7  0.65  molprobity  1.000  
 44   44  mt        -55.2   -37.4  Favored    11   82.290     8  0.65    11  0.53  molprobity  1.000  
 45   45  p30       -71.3    -8.9  Favored     6   97.340     8  0.58    11  0.33  molprobity  1.000  
 46   46  ?          89.7     3.5  Favored     3   88.210     4  0.28     5  1.08  molprobity  1.000  
 47   47  ?         -82.0   115.2  Favored     2   83.860     5  0.41     7  0.60  molprobity  1.000  
 48   48  p         -76.2   165.8  Favored     7   86.060     7  0.58    10  0.34  molprobity  1.000  
 49   49  ttp      -151.7   120.8  Favored     9   80.430     8  0.46    10  0.76  molprobity  1.000  
 50   50  ?        -107.5   140.5  Favored     8   72.970     8  0.33    10  0.75  molprobity  1.000  
 51   51  p        -141.5   155.2  Favored     5   68.330     6  0.14     8  0.50  molprobity  1.000  
 52   52  m-85     -134.5   128.6  Favored     9   68.600    13  0.59    18  0.36  molprobity  1.000  
 53   53  ?         -85.4   119.3  Favored     2   64.670     5  0.53     7  1.41  molprobity  1.000  
 54   54  pt       -114.2   151.4  Favored    11   58.230     8  0.85    11  0.77  molprobity  1.000  
 55   55  ttp85    -122.0   126.3  Favored    13   73.210    11  0.46    14  0.72  molprobity  1.000  
 56   56  m-85      -74.7   137.7  Favored     9   64.020    13  0.36    18  0.42  molprobity  1.000  
 57   57  mt        -92.8   147.3  Favored    11   62.230     8  0.32    11  0.64  molprobity  1.000  
 58   58  t30        60.1    63.3  Allowed     6   68.900     8  0.58    11  0.41  molprobity  1.000  
 59   59  p        -121.7   160.0  Favored     7   70.130     7  0.82    11  0.57  molprobity  1.000  
 60   60  Cg_endo   -74.1   -29.7  Favored     7   72.740     8  0.60    11  0.46  molprobity  1.000  
 61   61  p90      -142.2   166.6  Favored     9   74.550    13  0.39    18  0.60  molprobity  1.000  
 62   62  tt0       -64.0   124.8  Favored     8   71.800     9  0.43    12  0.60  molprobity  1.000  
 63   63  mtt      -124.2   116.6  Favored     9   69.060     8  0.37    10  1.13  molprobity  1.000  
 64   64  ?        -122.6   149.5  Favored     6   65.280     7  0.48    10  0.57  molprobity  1.000  
 65   65  ttmt     -157.3   157.5  Favored    13   70.060     9  0.26    11  0.51  molprobity  1.000  
 66   66  m        -114.7   117.2  Favored     7   68.500     7  0.33    10  0.87  molprobity  1.000  
 67   67  m        -129.2   173.0  Favored     9   68.370     7  0.55    10  0.85  molprobity  1.000  
 68   68  m         -99.0   153.9  Favored     7   67.240     7  0.47    10  0.93  molprobity  1.000  
 69   69  ?         -55.3   -18.4  Favored     5   61.080     5  0.90     7  0.71  molprobity  1.000  
 70   70  mttt      -74.3   -11.3  Favored    13   71.070     9  0.25    11  0.49  molprobity  1.000  
 71   71  m80      -117.8    18.4  Favored     7   65.960    11  0.39    15  0.61  molprobity  1.000  
 72   72  mt       -129.5   144.9  Favored    11   58.470     8  0.61    11  0.73  molprobity  1.000  
 73   73  ?        -137.1   151.9  Favored     5   51.880     5  0.37     7  0.53  molprobity  1.000  
 74   74  m-85      -64.9   156.2  Favored     9   51.300    13  0.62    18  0.44  molprobity  1.000  
 75   75  t80       -85.8   -24.5  Favored     9   51.020    12  0.44    16  0.54  molprobity  1.000  
 76   76  mm-40    -111.9   154.7  Favored     6   61.240     9  0.68    13  0.42  molprobity  1.000  
 77   77  Cg_endo   -73.0   155.3  Favored     7   52.400     8  0.62    12  0.44  molprobity  1.000  
 78   78  Cg_exo    -61.4   151.8  Favored     7   57.630     8  0.73    12  0.43  molprobity  1.000  
 79   79  Cg_endo   -81.5    -2.0  Favored     7   56.770     8  0.43    11  0.57  molprobity  1.000  
 80   80  m        -132.3   156.0  Favored     9   57.220     7  0.50    10  0.53  molprobity  1.000  
 81   81  ptp180    -70.0   149.7  Favored    13   63.230    11  0.30    14  0.61  molprobity  1.000  
 82   82  mt       -103.3   157.6  Favored    11   50.460     8  0.69    11  0.45  molprobity  1.000  
 83   83  p        -118.8   167.6  Favored     7   53.220     7  0.25    10  0.70  molprobity  1.000  
 84   84  mt        -52.8   125.0  Favored    11   52.720     8  0.50    11  0.53  molprobity  1.000  
 85   85  ?         104.5    -9.2  Favored     3   49.560     4  0.63     5  0.54  molprobity  1.000  
 86   86  m         -70.4   129.1  Favored     7   49.770     7  0.58    10  0.83  molprobity  1.000  
 87   87  tpt85     -86.8   123.2  Favored    13   59.590    11  0.37    14  0.59  molprobity  1.000  
 88   88  m        -138.4  -177.8  Allowed     9   49.360     7  0.68    10  0.96  molprobity  1.000  
 89   89  pt       -120.6   137.9  Favored    11   50.050     8  0.46    11  1.68  molprobity  1.000  
 90   90  ?        -131.8   142.1  Favored     5   50.990     5  0.26     7  0.55  molprobity  1.000  
 91   91  t80       -73.7   108.8  Favored     9   63.080    13  0.47    18  0.63  molprobity  1.000  
 92   92  t80       -87.2   135.7  Favored     9   63.240    12  0.49    16  0.47  molprobity  1.000  
 93   93  t70           ?       ?  ?           4   91.810     7  0.12     8  0.32  molprobity  1.000  
 94   94  pt20          ?       ?  ?           7   86.780     9  0.59    12  0.62  molprobity  1.000  
 95   95  m         -75.3   115.6  Favored     5   79.120     6  0.55     8  0.67  molprobity  1.000  
 96   96  ?        -165.5   176.7  Favored     5   65.680     5  0.55     7  0.64  molprobity  1.000  
 97   97  m-85      -86.1   121.7  Favored     9   58.090    12  0.59    16  0.33  molprobity  1.000  
 98   98  m-85     -122.5   146.9  Favored     9   58.050    13  0.49    19  0.41  molprobity  1.000  
 99   99  Cg_endo   -68.6   143.8  Favored     7   52.440     8  0.31    11  0.31  molprobity  1.000  
100  100  ?        -161.0  -175.1  Favored     3   53.270     4  0.39     5  0.95  molprobity  1.000  
101  101  ?        -130.4   138.6  Favored     6   52.030     7  0.54    10  1.09  molprobity  1.000  
102  102  mm        -68.2   122.1  Favored    11   49.900     8  0.95    11  1.01  molprobity  1.000  
103  103  ?        -104.4   -20.1  Favored     5   46.670     5  0.60     7  0.54  molprobity  1.000  
104  104  mt-10    -146.7   135.9  Favored     6   51.590     9  0.33    13  0.61  molprobity  1.000  
105  105  Cg_endo   -82.2   178.1  Favored     7   52.640     8  0.54    11  0.45  molprobity  1.000  
106  106  mt        -64.6   121.5  Favored    11   59.850     8  0.45    11  0.67  molprobity  1.000  
107  107  mtmt     -137.1   164.9  Favored    13   70.930     9  0.54    11  1.13  molprobity  1.000  
108  108  tt0       -69.6   -41.8  Favored     8   78.620     9  0.65    12  0.93  molprobity  1.000  
109  109  ?         -53.5   -26.8  Favored     5   65.200     5  0.72     7  0.63  molprobity  1.000  
110  110  p30      -117.6    16.5  Favored     6   55.470     8  0.67    11  0.87  molprobity  1.000  
111  111  mtm105     57.7    39.5  Favored    13   69.690    11  0.47    14  0.72  molprobity  1.000  
112  112  m-85       48.1    67.1  Allowed     9   66.950    13  0.34    18  0.70  molprobity  1.000  
113  113  mtm180   -141.2   141.8  Favored    13   54.810    11  0.21    14  0.75  molprobity  1.000  
114  114  m-85      -81.2   136.0  Favored     9   49.850    13  0.46    18  0.58  molprobity  1.000  
115  115  tp        -83.5   127.0  Favored    11   46.260     8  0.36    11  1.19  molprobity  1.000  
116  116  mm       -109.4   129.2  Favored    11   47.840     8  0.66    11  0.46  molprobity  1.000  
117  117  m-30     -106.2    91.4  Favored     9   48.240    12  0.52    16  1.01  molprobity  1.000  
118  118  m-85      -61.4   152.3  Favored     9   51.120    13  0.51    18  0.40  molprobity  1.000  
119  119  m-20      -60.9   -41.0  Favored     4   55.400     8  0.49    11  0.96  molprobity  1.000  
120  120  p30       -66.8    -9.4  Favored     4   65.220     8  0.85    11  0.63  molprobity  1.000  
121  121  ?          97.3    -3.5  Favored     3   59.700     4  0.25     5  0.50  molprobity  1.000  
122  122  ?         -77.2   156.2  Favored     4   59.160     6  0.45     8  0.55  molprobity  1.000  
123  123  t        -135.5   146.7  Favored     7   54.830     7  0.31    10  0.73  molprobity  1.000  
124  124  tt0      -162.5   150.9  Favored     8   58.670     9  0.34    12  0.72  molprobity  1.000  
125  125  m-85      -90.7   113.4  Favored     9   50.250    13  0.30    18  0.70  molprobity  1.000  
126  126  t        -119.2   133.9  Favored     9   53.830     7  1.02    11  0.69  molprobity  1.000  
127  127  Cg_endo   -69.3   164.5  Favored     7   56.440     8  0.45    11  0.40  molprobity  1.000  
128  128  t60       -57.8   -38.7  Favored     7   60.800    11  0.28    15  0.29  molprobity  1.000  
129  129  ptt-85    -61.0   -22.1  Favored    13   66.070    11  0.41    14  0.51  molprobity  1.000  
130  130  m-20      -98.3     9.9  Favored     4   58.750     8  0.80    11  0.78  molprobity  1.000  
131  131  m        -110.9   153.7  Favored     9   49.480     7  0.85    10  1.09  molprobity  1.000  
132  132  mmt-85   -139.4   139.2  Favored    13   48.880    11  0.40    14  0.85  molprobity  1.000  
133  133  mt        -78.6   136.9  Favored    11   52.150     8  0.69    11  1.00  molprobity  1.000  
134  134  t         -67.1   140.2  Favored     9   54.060     7  0.49    10  1.14  molprobity  1.000  
135  135  m         -67.9   -23.1  Favored     5   55.680     6  0.39     8  0.73  molprobity  1.000  
136  136  tt0      -127.7   121.0  Favored     8   83.160     9  0.43    12  0.82  molprobity  1.000  
137  137  ?         -64.3   142.2  Favored     5   73.870     5  0.47     7  0.34  molprobity  1.000  
138  138  ?        -111.6   127.8  Favored     2   75.130     5  0.52     7  0.54  molprobity  1.000  
139  139  ?         -59.9   -47.1  Favored     2   75.170     5  0.40     7  0.63  molprobity  1.000  
140  140  ?        -117.2    80.8  Allowed     6   75.940     7  0.57     9  1.85  molprobity  1.000  
141  141  p         -50.1   -19.9  Allowed     9   75.140     7  0.90    10  0.83  molprobity  1.000  
142  142  p90       -71.1   -32.1  Favored    10   78.110    16  0.39    23  0.29  molprobity  1.000  
143  143  ?         -59.0    -9.4  Allowed     2   84.180     5  1.01     7  1.09  molprobity  1.000  
144  144  m-20     -103.0   -17.6  Favored     4   91.680     8  0.49    11  0.58  molprobity  1.000  
145  145  ?             ?       ?  ?           2  102.680     4  0.24     4  0.10  molprobity  1.000  
146  146  ?             ?       ?  ?           1   98.510     5  0.65     7  0.60  molprobity  1.000  
147  147  ?         -79.9   -15.2  Favored     2   96.270     5  0.59     7  1.07  molprobity  1.000  
148  148  t80       -76.8   -45.6  Favored     9   90.710    12  0.51    16  0.70  molprobity  1.000  
149  149  mt        -64.3   -27.0  Favored    11   81.920     8  0.72    11  0.89  molprobity  1.000  
150  150  tt0       -68.8   -55.3  Favored     8   81.300     9  0.51    12  0.55  molprobity  1.000  
151  151  ?         -62.4   -33.3  Favored     2   66.410     5  0.54     7  0.54  molprobity  1.000  
152  152  t80       -65.7   -41.9  Favored     9   66.510    13  0.53    18  0.54  molprobity  1.000  
153  153  t         -95.7   -56.1  Favored     9   69.900     7  0.53    10  0.77  molprobity  1.000  
154  154  tt0       -64.1   -44.4  Favored     6   81.420     9  0.39    12  0.33  molprobity  1.000  
155  155  ?        -105.4    37.1  Favored     2   73.250     5  0.85     7  0.84  molprobity  1.000  
156  156  t80       -56.3   135.7  Favored     9   70.290    13  0.62    18  0.47  molprobity  1.000  
157  157  t        -152.2   134.6  Favored     5   81.570     6  0.28     8  0.65  molprobity  1.000  
158  158  m         -66.5   -19.3  Favored     9   80.480     7  0.85    10  0.85  molprobity  1.000  
159  159  ?         -94.7    25.0  Favored     2   79.250     5  0.62     7  0.51  molprobity  1.000  
160  160  ?         -73.5   145.5  Favored     2   76.010     5  0.67     8  0.59  molprobity  1.000  
161  161  Cg_exo    -57.3   125.5  Favored     7   73.200     8  0.65    11  0.46  molprobity  1.000  
162  162  mmm      -131.0   136.6  Favored     9   67.730     8  0.67    10  1.03  molprobity  1.000  
163  163  m         -77.4   140.4  Favored     9   64.270     7  0.45    10  1.48  molprobity  1.000  
164  164  mm-40    -104.3   123.8  Favored     8   81.360     9  0.55    12  1.37  molprobity  1.000  
165  165  OUTLIER  -139.1   167.6  Favored     5   63.040     6  0.39     8  0.96  molprobity  1.000  
166  166  m        -138.0   140.2  Favored     7   60.200     7  0.43    10  0.55  molprobity  1.000  
167  167  mtm180    -46.7   116.4  Allowed    13   72.220    11  0.26    14  0.44  molprobity  1.000  
168  168  ?         114.0   -13.6  Favored     3   60.710     4  0.22     5  0.82  molprobity  1.000  
169  169  mt-30     -79.5   156.8  Favored     8   59.830     9  0.44    12  0.51  molprobity  1.000  
170  170  m        -123.6   154.1  Favored     5   62.020     6  0.27     8  0.70  molprobity  1.000  
171  171  ptt?     -162.7   156.2  Favored     9   57.920     8  0.52    10  0.87  molprobity  1.000  
172  172  m         -69.7   128.9  Favored     7   55.770     7  0.23    10  0.88  molprobity  1.000  
173  173  m        -132.4   133.0  Favored     7   54.490     7  0.42    10  0.70  molprobity  1.000  
174  174  OUTLIER   -78.4   127.7  Favored     6   71.650     9  0.49    12  0.62  molprobity  1.000  
175  175  t        -138.1   114.2  Favored     5   70.630     6  0.48     8  0.65  molprobity  1.000  
176  176  m-80       53.2    50.1  Favored     6   84.060     8  0.44    11  0.26  molprobity  1.000  
177  177  ?          72.9     1.6  Favored     3   71.870     4  0.44     5  0.78  molprobity  1.000  
178  178  m        -112.8   127.2  Favored     7   67.970     7  0.26    10  0.40  molprobity  1.000  
179  179  m95       -82.4   121.5  Favored    10   69.410    16  0.41    23  0.56  molprobity  1.000  
180  180  mt       -128.8   161.5  Favored    11   70.170     8  0.41    11  0.51  molprobity  1.000  
181  181  t80       -77.8   129.5  Favored     9   82.130    13  0.34    18  0.68  molprobity  1.000  
182  182  ?        -141.1   146.8  Favored     5   66.350     5  0.42     7  0.57  molprobity  1.000  
183  183  ttp180   -112.6   136.7  Favored    13   82.950    11  0.31    14  0.54  molprobity  1.000  
184  184  t         -69.0   115.0  Favored     9   58.570     7  0.70    10  1.00  molprobity  1.000  
185  185  pt       -114.3   -15.2  Favored    11   56.000     8  0.48    11  0.74  molprobity  1.000  
186  186  t0       -157.0   159.2  Favored     4   57.510     8  0.59    11  0.59  molprobity  1.000  
187  187  mt       -140.8   135.8  Favored    11   60.550     8  0.73    11  0.78  molprobity  1.000  
188  188  t0       -141.4    92.7  Favored     4   59.610     8  0.39    11  1.06  molprobity  1.000  
189  189  m          55.0  -110.4  Allowed     5   52.950     6  0.53     8  0.84  molprobity  1.000  
190  190  m         -83.8     1.4  Favored     5   52.920     6  0.25     8  0.40  molprobity  1.000  
191  191  mt       -109.8   144.4  Favored    11   51.240     8  0.40    11  0.45  molprobity  1.000  
192  192  p        -125.7   127.8  Favored     9   52.660     7  0.57    10  0.56  molprobity  1.000  
193  193  tp        -88.7   108.0  Favored    11   56.000     8  0.52    11  0.77  molprobity  1.000  
194  194  mmm       -97.8   129.2  Favored     9   58.350     8  0.72    10  0.63  molprobity  1.000  
195  195  tt0      -106.2   111.5  Favored     8   70.470     9  0.34    12  0.58  molprobity  1.000  
196  196  m-85      -74.0   136.6  Favored     9   67.910    12  0.45    16  0.89  molprobity  1.000  
197  197  mm-40         ?       ?  ?           6  107.910     8  0.42     9  0.68  molprobity  1.000  
198  198  ?             ?       ?  ?           1   77.180     5  0.68     7  0.82  molprobity  1.000  
199  199  OUTLIER  -106.6    92.2  Favored     7   78.240    11  0.36    15  0.85  molprobity  1.000  
200  200  p        -115.3   155.7  Favored     7   67.270     7  0.50    10  0.47  molprobity  1.000  
201  201  tt0      -160.8   133.4  Favored     6   69.010     9  0.17    12  0.68  molprobity  1.000  
202  202  m95       -83.1   116.5  Favored    10   54.670    16  0.53    23  0.38  molprobity  1.000  
203  203  mt       -123.5   145.7  Favored    11   51.210     8  0.80    11  0.72  molprobity  1.000  
204  204  t80       -68.0   129.1  Favored     9   53.340    13  0.46    18  0.59  molprobity  1.000  
205  205  mtm105    -61.5   -10.5  Favored    13   52.980    11  0.31    14  0.57  molprobity  1.000  
206  206  ?        -109.1     9.8  Favored     3   49.320     4  0.40     5  0.81  molprobity  1.000  
207  207  t         -77.5   138.7  Favored     5   55.980     6  0.49     8  0.75  molprobity  1.000  
208  208  mt        -69.7    -9.9  Favored    11   60.540     8  0.48    11  0.60  molprobity  1.000  
209  209  mtp180    -73.7    -5.8  Favored    13   53.410    11  0.46    14  0.60  molprobity  1.000  
210  210  mt       -110.4   114.4  Favored    11   53.240     8  0.36    11  1.07  molprobity  1.000  
211  211  ?         -34.3   -54.1  Allowed     3   58.450     4  0.96     6  0.85  molprobity  1.000  
212  212  Cg_exo    -62.0   -34.4  Favored     7   61.760     8  0.47    11  0.61  molprobity  1.000  
213  213  t         -66.4   -48.4  Favored     9   61.990     7  0.45    10  0.70  molprobity  1.000  
214  214  t80       -51.6   -53.5  Favored     9   66.980    12  0.46    16  0.27  molprobity  1.000  
215  215  ttm180    -59.3   -51.9  Favored    13   77.320    11  0.45    14  0.70  molprobity  1.000  
216  216  tt0       -53.6   -43.4  Favored     6   86.740     9  0.46    12  0.68  molprobity  1.000  
217  217  ?         -68.7   -33.0  Favored     2   81.650     5  0.43     7  0.35  molprobity  1.000  
218  218  ?         -74.9   -43.8  Favored     2   89.490     5  0.67     7  0.79  molprobity  1.000  
219  219  ?         -58.1   -45.3  Favored     2   96.080     5  0.53     7  0.49  molprobity  1.000  
220  220  ?         -69.0   -45.7  Favored     2  100.790     5  0.55     7  0.54  molprobity  1.000  
221  221  ?             ?       ?  ?           2  114.620     4  0.24     4  0.14  molprobity  1.000  
222  222  ?             ?       ?  ?           ?   41.600     ?     ?     ?     ?  ?           1.000  
223  223  ?             ?       ?  ?           ?   55.200     ?     ?     ?     ?  ?           1.000  
224  224  ?             ?       ?  ?           ?   41.990     ?     ?     ?     ?  ?           1.000  
225  225  ?             ?       ?  ?           ?   43.490     ?     ?     ?     ?  ?           1.000  
226  226  ?             ?       ?  ?           ?   61.100     ?     ?     ?     ?  ?           1.000  
227  227  ?             ?       ?  ?           ?   60.670     ?     ?     ?     ?  ?           1.000  
228  228  ?             ?       ?  ?           ?   49.350     ?     ?     ?     ?  ?           1.000  
229  229  ?             ?       ?  ?           ?   51.810     ?     ?     ?     ?  ?           1.000  
230  230  ?             ?       ?  ?           ?   80.190     ?     ?     ?     ?  ?           1.000  
231  231  ?             ?       ?  ?           ?   50.930     ?     ?     ?     ?  ?           1.000  
232  232  ?             ?       ?  ?           ?   71.600     ?     ?     ?     ?  ?           1.000  
233  233  ?             ?       ?  ?           ?   55.570     ?     ?     ?     ?  ?           1.000  
234  234  ?             ?       ?  ?           ?   59.010     ?     ?     ?     ?  ?           1.000  
235  235  ?             ?       ?  ?           ?   55.320     ?     ?     ?     ?  ?           1.000  
236  236  ?             ?       ?  ?           ?   50.590     ?     ?     ?     ?  ?           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  26  O     1  0.41  2.19  
 2  32  HB3   2  0.60  1.82  
 3  33  HG21  3  0.41  2.02  
 4  54  HD12  3  0.41  2.02  
 5  57  HD12  2  0.60  1.82  
 6  68  HG22  4  0.56  1.70  
 7  70  H     4  0.56  1.70  
 8  87  HH22  5  0.47  1.79  
 9  99  HB2   5  0.47  1.79  
10  99  HG3   1  0.41  2.19  
#
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   5  0.847  0.124  -0.804  
  2    2   7  0.894  0.236   1.275  
  3    3   7  0.978  0.175   0.422  
  4    4   7  0.968  0.176   0.437  
  5    5   7  0.981  0.199   0.797  
  6    6   4  0.932  0.212   0.981  
  7    7   9  0.954  0.184  -0.058  
  8    8   8  0.922  0.215   0.821  
  9    9   7  0.926  0.189   0.487  
 10   10  11  0.944  0.182  -0.019  
 11   11   7  0.980  0.138  -0.156  
 12   12   7  0.948  0.141  -0.109  
 13   13   8  0.969  0.178   0.202  
 14   14   9  0.943  0.255   1.075  
 15   15   8  0.954  0.245   1.258  
 16   16   4  0.976  0.116  -0.431  
 17   17   9  0.940  0.240   0.637  
 18   18   7  0.955  0.185   0.536  
 19   19  12  0.951  0.207   0.953  
 20   20  12  0.962  0.180   0.478  
 21   21   5  0.976  0.149   0.005  
 22   22   7  0.962  0.205   0.755  
 23   23   8  0.926  0.182  -0.204  
 24   24   8  0.875  0.167   0.103  
 25   25   6  0.908  0.168  -0.378  
 26   26   5  0.938  0.412   4.267  
 27   27   7  0.950  0.270   1.741  
 28   28   5  0.922  0.139  -0.157  
 29   29   6  0.964  0.147  -0.054  
 30   30  14  0.976  0.155   0.124  
 31   31   7  0.977  0.196   0.605  
 32   32   6  0.964  0.138  -0.194  
 33   33   8  0.985  0.220   0.905  
 34   34   5  0.925  0.170  -0.353  
 35   35   7  0.970  0.213   0.889  
 36   36   8  0.976  0.219   0.888  
 37   37   9  0.956  0.185  -0.046  
 38   38  11  0.967  0.191   0.549  
 39   39   7  0.972  0.184   0.519  
 40   40   9  0.935  0.219   0.376  
 41   41   6  0.982  0.239   1.374  
 42   42   7  0.962  0.152   0.000  
 43   43   5  0.969  0.133  -0.254  
 44   44   8  0.895  0.219   0.888  
 45   45   8  0.912  0.171   0.162  
 46   46   4  0.957  0.180   0.510  
 47   47   5  0.914  0.156  -0.059  
 48   48   7  0.956  0.204   0.844  
 49   49   8  0.908  0.211   0.938  
 50   50   8  0.957  0.181  -0.217  
 51   51   6  0.961  0.166   0.241  
 52   52  12  0.974  0.145  -0.137  
 53   53   5  0.970  0.169  -0.366  
 54   54   8  0.969  0.278   1.875  
 55   55  11  0.938  0.213   0.393  
 56   56  12  0.967  0.154   0.021  
 57   57   8  0.969  0.189   0.344  
 58   58   8  0.952  0.198   0.558  
 59   59   7  0.946  0.137  -0.244  
 60   60   7  0.954  0.186   0.594  
 61   61  12  0.969  0.130  -0.401  
 62   62   9  0.961  0.136  -0.544  
 63   63   8  0.977  0.149  -0.075  
 64   64   7  0.977  0.150  -0.266  
 65   65   9  0.968  0.160  -0.477  
 66   66   7  0.952  0.156   0.065  
 67   67   7  0.950  0.281   2.028  
 68   68   7  0.973  0.129  -0.373  
 69   69   5  0.971  0.174   0.410  
 70   70   9  0.954  0.150  -0.601  
 71   71  10  0.954  0.130  -0.392  
 72   72   8  0.980  0.236   1.172  
 73   73   5  0.961  0.168   0.313  
 74   74  12  0.958  0.206   0.935  
 75   75  11  0.960  0.137  -0.355  
 76   76   9  0.956  0.134  -0.680  
 77   77   7  0.961  0.170   0.344  
 78   78   7  0.964  0.135  -0.203  
 79   79   7  0.957  0.169   0.328  
 80   80   7  0.953  0.249   1.492  
 81   81  11  0.920  0.230   0.618  
 82   82   8  0.978  0.234   1.078  
 83   83   7  0.982  0.324   2.792  
 84   84   8  0.939  0.222   0.938  
 85   85   4  0.957  0.216   1.040  
 86   86   7  0.966  0.192   0.649  
 87   87  11  0.963  0.248   0.857  
 88   88   7  0.985  0.215   0.923  
 89   89   8  0.965  0.162  -0.065  
 90   90   5  0.988  0.163   0.232  
 91   91  12  0.935  0.220   1.181  
 92   92  11  0.958  0.220   1.035  
 93   93   8  0.812  0.182   0.272  
 94   94   9  0.738  0.200   0.327  
 95   95   6  0.941  0.175   0.380  
 96   96   5  0.964  0.269   1.950  
 97   97  11  0.952  0.233   1.253  
 98   98  12  0.963  0.147  -0.102  
 99   99   7  0.957  0.142  -0.094  
100  100   4  0.966  0.171   0.378  
101  101   7  0.949  0.230   1.072  
102  102   8  0.977  0.192   0.436  
103  103   5  0.980  0.195   0.750  
104  104   9  0.964  0.169  -0.245  
105  105   7  0.972  0.204   0.875  
106  106   8  0.978  0.208   0.654  
107  107   9  0.909  0.202   0.043  
108  108   9  0.929  0.169  -0.095  
109  109   5  0.925  0.125  -0.384  
110  110   8  0.978  0.118  -0.617  
111  111  11  0.964  0.217   0.446  
112  112  12  0.938  0.115  -0.664  
113  113  11  0.955  0.147  -0.483  
114  114  12  0.978  0.166   0.232  
115  115   8  0.987  0.179   0.181  
116  116   8  0.972  0.212   0.771  
117  117  11  0.964  0.166   0.131  
118  118  12  0.974  0.138  -0.260  
119  119   8  0.960  0.138  -0.348  
120  120   8  0.940  0.120  -0.601  
121  121   4  0.977  0.100  -0.666  
122  122   6  0.927  0.121  -0.559  
123  123   7  0.974  0.207   0.893  
124  124   9  0.944  0.177   0.014  
125  125  12  0.951  0.125  -0.489  
126  126   7  0.963  0.162   0.035  
127  127   7  0.974  0.156   0.125  
128  128  10  0.959  0.146  -0.152  
129  129  11  0.923  0.230   0.618  
130  130   8  0.952  0.160  -0.038  
131  131   7  0.964  0.151  -0.149  
132  132  11  0.932  0.152  -0.416  
133  133   8  0.973  0.211   0.703  
134  134   7  0.953  0.193   0.554  
135  135   6  0.961  0.181   0.964  
136  136   9  0.925  0.191   0.204  
137  137   5  0.921  0.142  -0.109  
138  138   5  0.882  0.237   1.343  
139  139   5  0.863  0.232   0.538  
140  140   7  0.837  0.210   0.143  
141  141   7  0.959  0.225   1.090  
142  142  14  0.916  0.170   0.404  
143  143   5  0.801  0.246   0.712  
144  144   8  0.873  0.130  -0.461  
145  145   5  0.869  0.177   0.286  
146  146   5  0.798  0.217   0.446  
147  147   5  0.758  0.176   0.187  
148  148  11  0.858  0.268   1.839  
149  149   8  0.930  0.189   0.386  
150  150   9  0.863  0.319   1.946  
151  151   5  0.907  0.148  -0.626  
152  152  12  0.956  0.131  -0.383  
153  153   7  0.943  0.293   2.229  
154  154   9  0.871  0.237   0.600  
155  155   5  0.842  0.144  -0.675  
156  156  12  0.952  0.129  -0.418  
157  157   6  0.855  0.120  -0.474  
158  158   7  0.917  0.139  -0.350  
159  159   5  0.851  0.117  -0.644  
160  160   5  0.925  0.159  -0.324  
161  161   7  0.958  0.130  -0.281  
162  162   8  0.925  0.154   0.007  
163  163   7  0.982  0.201   0.688  
164  164   9  0.934  0.195   0.259  
165  165   6  0.923  0.175   0.846  
166  166   7  0.982  0.159   0.114  
167  167  11  0.941  0.194   0.141  
168  168   4  0.951  0.135  -0.151  
169  169   9  0.966  0.162  -0.190  
170  170   6  0.952  0.147  -0.054  
171  171   8  0.963  0.135  -0.304  
172  172   7  0.967  0.164   0.195  
173  173   7  0.945  0.178   0.422  
174  174   9  0.930  0.227   0.476  
175  175   6  0.951  0.155   0.070  
176  176   8  0.973  0.181   0.308  
177  177   4  0.967  0.106  -0.578  
178  178   7  0.959  0.125  -0.438  
179  179  14  0.959  0.221   1.360  
180  180   8  0.964  0.182   0.230  
181  181  12  0.843  0.394   4.239  
182  182   5  0.953  0.152   0.053  
183  183  11  0.923  0.169  -0.191  
184  184   7  0.983  0.163   0.052  
185  185   8  0.977  0.183   0.286  
186  186   8  0.971  0.115  -0.672  
187  187   8  0.970  0.191   0.420  
188  188   8  0.903  0.144  -0.263  
189  189   6  0.945  0.140   0.152  
190  190   6  0.973  0.194   0.675  
191  191   8  0.957  0.194   0.426  
192  192   7  0.952  0.199   0.655  
193  193   8  0.974  0.177   0.148  
194  194   8  0.924  0.141  -0.206  
195  195   9  0.938  0.149  -0.367  
196  196  11  0.954  0.118  -0.673  
197  197   9  0.805  0.252   0.786  
198  198   5  0.546  0.198   0.558  
199  199  10  0.914  0.191   0.525  
200  200   7  0.950  0.119  -0.536  
201  201   9  0.918  0.164  -0.307  
202  202  14  0.955  0.143  -0.101  
203  203   8  0.973  0.223   0.955  
204  204  12  0.974  0.150  -0.049  
205  205  11  0.962  0.175  -0.111  
206  206   4  0.964  0.185   0.584  
207  207   6  0.952  0.166   0.241  
208  208   8  0.972  0.199   0.507  
209  209  11  0.949  0.163  -0.271  
210  210   8  0.960  0.166  -0.031  
211  211   4  0.938  0.158   0.187  
212  212   7  0.952  0.147  -0.016  
213  213   7  0.983  0.149  -0.183  
214  214  11  0.913  0.243   1.420  
215  215  11  0.895  0.210   0.353  
216  216   9  0.891  0.136  -0.655  
217  217   5  0.881  0.143  -0.146  
218  218   5  0.862  0.194   0.245  
219  219   5  0.859  0.333   2.540  
220  220   5  0.851  0.401   3.539  
221  221   5  0.740  0.301   2.408  
222  222   1  0.820  0.214       ?  
223  223   1  0.832  0.128       ?  
224  224   1  0.939  0.304       ?  
225  225   1  0.959  0.182       ?  
226  226   1  0.714  0.483       ?  
227  227   1  0.892  0.226       ?  
228  228   1  0.880  0.085       ?  
229  229   1  0.671  0.132       ?  
230  230   1  0.733  1.053       ?  
231  231   1  0.925  0.563       ?  
232  232   1  0.735  0.273       ?  
233  233   1  0.889  0.203       ?  
234  234   1  0.796  0.201       ?  
235  235   1  0.727  0.410       ?  
236  236   1  0.771  0.235       ?  
#
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          2.35.1                                                                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  
##
