data_7EY5

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7EY5       
EMDB  EMD-31378  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   "electron microscopy"
#
_pdbx_vrpt_summary.entry_id                    7EY5
_pdbx_vrpt_summary.PDB_deposition_date         2021-05-29
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2022-02-16
_pdbx_vrpt_summary.EMDB_deposition_date        2021-05-29
_pdbx_vrpt_summary.report_creation_date        2022-11-22:11:43
_pdbx_vrpt_summary.attempted_validation_steps  visualanalysis,molprobity,validation-pack,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  "Spike glycoprotein"  
2  polymer  BD-821H  
3  polymer  BD-821L  
4  polymer  BD-771H  
5  polymer  BD-771L  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb  
2  all  "electron microscopy"  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   26.00  158937  ?     ?     
2  2  1   34.16    4297  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00    4023  ?     ?     
5  1  3   84.04  154315  ?     ?     
6  2  3   61.50    3826  ?     ?     
#
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  100.00  
 4  6  3  A  1  1  A  100.00  
 5  3  2  B  1  2  B  100.00  
 6  4  2  B  1  2  B  100.00  
 7  5  3  B  1  2  B  100.00  
 8  6  3  B  1  2  B  100.00  
 9  3  2  C  1  3  C  100.00  
10  4  2  C  1  3  C  100.00  
11  5  3  C  1  3  C   73.39  
12  6  3  C  1  3  C   86.32  
13  3  2  D  1  4  H  100.00  
14  4  2  D  1  4  H  100.00  
15  5  3  D  1  4  H   75.87  
16  6  3  D  1  4  H   87.67  
17  3  2  E  1  5  L  100.00  
18  4  2  E  1  5  L  100.00  
19  5  3  E  1  5  L   51.52  
20  6  3  E  1  5  L   75.24  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.45  0.32  1507  2049  
2  1  2  B  B  0.58  0.37   961  1306  
3  1  3  C  C  0.54  0.35   862  1174  
4  1  4  D  H  0.54  0.34  1042  1412  
5  1  5  E  L  0.55  0.36   837  1134  
#
loop_
_pdbx_vrpt_summary_entity_fit_to_map.ordinal
_pdbx_vrpt_summary_entity_fit_to_map.PDB_model_num
_pdbx_vrpt_summary_entity_fit_to_map.entity_id
_pdbx_vrpt_summary_entity_fit_to_map.label_asym_id
_pdbx_vrpt_summary_entity_fit_to_map.auth_asym_id
_pdbx_vrpt_summary_entity_fit_to_map.average_residue_inclusion
_pdbx_vrpt_summary_entity_fit_to_map.Q_score
1  1  1  A  A  0.6806  0.489  
2  1  2  B  B  0.6758  0.473  
3  1  3  C  C  0.6958  0.501  
4  1  4  D  H  0.6391  0.489  
5  1  5  E  L  0.6610  0.471  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.73
_pdbx_vrpt_summary_geometry.clashscore                     11.16
_pdbx_vrpt_summary_geometry.num_H_reduce                   4873
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 5209
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.34
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                7075
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.52
#
_pdbx_vrpt_summary_em.exp_method                 "electron microscopy"
_pdbx_vrpt_summary_em.ordinal                    1
_pdbx_vrpt_summary_em.contour_level_primary_map  0.518
_pdbx_vrpt_summary_em.atom_inclusion_all_atoms   0.6891
_pdbx_vrpt_summary_em.atom_inclusion_backbone    0.8283
_pdbx_vrpt_summary_em.EMDB_resolution            3.4
_pdbx_vrpt_summary_em.Q_score                    0.485
#
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
_pdbx_vrpt_model_instance.count_plane_outliers
  1  1  1  A  331  ASN  A  334  .  ?        ?     ?  
  2  1  1  A  332  LEU  A  335  .  ?        ?     ?  
  3  1  1  A  333  CYS  A  336  .  ?        ?     ?  
  4  1  1  A  334  PRO  A  337  .  ?        1     ?  
  5  1  1  A  335  PHE  A  338  .  ?        ?     ?  
  6  1  1  A  336  GLY  A  339  .  ?        ?     ?  
  7  1  1  A  337  GLU  A  340  .  ?        1     ?  
  8  1  1  A  338  VAL  A  341  .  ?        ?     ?  
  9  1  1  A  339  PHE  A  342  .  ?        ?     ?  
 10  1  1  A  340  ASN  A  343  .  ?        ?     ?  
 11  1  1  A  341  ALA  A  344  .  ?        1     ?  
 12  1  1  A  342  THR  A  345  .  ?        ?     ?  
 13  1  1  A  343  ARG  A  346  .  ?        ?     ?  
 14  1  1  A  344  PHE  A  347  .  ?        1     ?  
 15  1  1  A  345  ALA  A  348  .  ?        ?     ?  
 16  1  1  A  346  SER  A  349  .  ?        ?     ?  
 17  1  1  A  347  VAL  A  350  .  ?        ?     ?  
 18  1  1  A  348  TYR  A  351  .  ?        ?     ?  
 19  1  1  A  349  ALA  A  352  .  ?        ?     ?  
 20  1  1  A  350  TRP  A  353  .  ?        2     ?  
 21  1  1  A  351  ASN  A  354  .  ?        ?     ?  
 22  1  1  A  352  ARG  A  355  .  ?        ?     ?  
 23  1  1  A  353  LYS  A  356  .  ?        1     ?  
 24  1  1  A  354  ARG  A  357  .  ?        ?     ?  
 25  1  1  A  355  ILE  A  358  .  ?        1     ?  
 26  1  1  A  356  SER  A  359  .  ?        1     ?  
 27  1  1  A  357  ASN  A  360  .  ?        ?     ?  
 28  1  1  A  358  CYS  A  361  .  ?        1     ?  
 29  1  1  A  359  VAL  A  362  .  ?        1     ?  
 30  1  1  A  360  ALA  A  363  .  ?        ?     ?  
 31  1  1  A  361  ASP  A  364  .  ?        1     ?  
 32  1  1  A  362  TYR  A  365  .  ?        1     ?  
 33  1  1  A  363  SER  A  366  .  ?        ?     ?  
 34  1  1  A  364  VAL  A  367  .  ?        1     ?  
 35  1  1  A  365  LEU  A  368  .  ?        1     ?  
 36  1  1  A  366  TYR  A  369  .  ?        ?     ?  
 37  1  1  A  367  ASN  A  370  .  ?        ?     ?  
 38  1  1  A  368  SER  A  371  .  ?        ?     ?  
 39  1  1  A  369  ALA  A  372  .  ?        ?     ?  
 40  1  1  A  370  SER  A  373  .  ?        ?     ?  
 41  1  1  A  371  PHE  A  374  .  ?        ?     ?  
 42  1  1  A  372  SER  A  375  .  ?        ?     ?  
 43  1  1  A  373  THR  A  376  .  ?        ?     ?  
 44  1  1  A  374  PHE  A  377  .  ?        ?     ?  
 45  1  1  A  375  LYS  A  378  .  ?        ?     ?  
 46  1  1  A  376  CYS  A  379  .  ?        ?     ?  
 47  1  1  A  377  TYR  A  380  .  ?        ?     ?  
 48  1  1  A  378  GLY  A  381  .  ?        ?     ?  
 49  1  1  A  379  VAL  A  382  .  ?        ?     ?  
 50  1  1  A  380  SER  A  383  .  ?        1     ?  
 51  1  1  A  381  PRO  A  384  .  ?        ?     ?  
 52  1  1  A  382  THR  A  385  .  ?        ?     ?  
 53  1  1  A  383  LYS  A  386  .  ?        1     ?  
 54  1  1  A  384  LEU  A  387  .  ?        ?     ?  
 55  1  1  A  385  ASN  A  388  .  ?        ?     ?  
 56  1  1  A  386  ASP  A  389  .  ?        ?     ?  
 57  1  1  A  387  LEU  A  390  .  ?        ?     ?  
 58  1  1  A  388  CYS  A  391  .  ?        ?     ?  
 59  1  1  A  389  PHE  A  392  .  ?        1     ?  
 60  1  1  A  390  THR  A  393  .  ?        ?     ?  
 61  1  1  A  391  ASN  A  394  .  ?        1     ?  
 62  1  1  A  392  VAL  A  395  .  ?        ?     ?  
 63  1  1  A  393  TYR  A  396  .  ?        ?     ?  
 64  1  1  A  394  ALA  A  397  .  ?        ?     ?  
 65  1  1  A  395  ASP  A  398  .  ?        ?     ?  
 66  1  1  A  396  SER  A  399  .  ?        ?     ?  
 67  1  1  A  397  PHE  A  400  .  ?        ?     ?  
 68  1  1  A  398  VAL  A  401  .  ?        ?     ?  
 69  1  1  A  399  ILE  A  402  .  ?        ?     ?  
 70  1  1  A  400  ARG  A  403  .  ?        ?     ?  
 71  1  1  A  401  GLY  A  404  .  ?        1     ?  
 72  1  1  A  402  ASP  A  405  .  ?        ?     ?  
 73  1  1  A  403  GLU  A  406  .  ?        ?     ?  
 74  1  1  A  404  VAL  A  407  .  ?        ?     ?  
 75  1  1  A  405  ARG  A  408  .  ?        ?     ?  
 76  1  1  A  406  GLN  A  409  .  ?        ?     ?  
 77  1  1  A  407  ILE  A  410  .  ?        ?     ?  
 78  1  1  A  408  ALA  A  411  .  ?        ?     ?  
 79  1  1  A  409  PRO  A  412  .  ?        1     ?  
 80  1  1  A  410  GLY  A  413  .  ?        ?     ?  
 81  1  1  A  411  GLN  A  414  .  ?        ?     ?  
 82  1  1  A  412  THR  A  415  .  ?        ?     ?  
 83  1  1  A  413  GLY  A  416  .  ?        ?     ?  
 84  1  1  A  414  ASN  A  417  .  ?        ?     ?  
 85  1  1  A  415  ILE  A  418  .  ?        4     ?  
 86  1  1  A  416  ALA  A  419  .  ?        ?     ?  
 87  1  1  A  417  ASP  A  420  .  ?        ?     ?  
 88  1  1  A  418  TYR  A  421  .  ?        3     ?  
 89  1  1  A  419  ASN  A  422  .  ?        2     ?  
 90  1  1  A  420  TYR  A  423  .  ?        ?     ?  
 91  1  1  A  421  LYS  A  424  .  ?        ?     ?  
 92  1  1  A  422  LEU  A  425  .  ?        ?     ?  
 93  1  1  A  423  PRO  A  426  .  ?        ?     ?  
 94  1  1  A  424  ASP  A  427  .  ?        1     ?  
 95  1  1  A  425  ASP  A  428  .  ?        ?     ?  
 96  1  1  A  426  PHE  A  429  .  ?        ?     ?  
 97  1  1  A  427  THR  A  430  .  ?        ?     ?  
 98  1  1  A  428  GLY  A  431  .  ?        ?     ?  
 99  1  1  A  429  CYS  A  432  .  ?        ?     ?  
100  1  1  A  430  VAL  A  433  .  ?        ?     ?  
101  1  1  A  431  ILE  A  434  .  ?        ?     ?  
102  1  1  A  432  ALA  A  435  .  ?        ?     ?  
103  1  1  A  433  TRP  A  436  .  ?        ?     ?  
104  1  1  A  434  ASN  A  437  .  ?        ?     ?  
105  1  1  A  435  SER  A  438  .  ?        ?     ?  
106  1  1  A  436  ASN  A  439  .  ?        ?     ?  
107  1  1  A  437  ASN  A  440  .  ?        ?     ?  
108  1  1  A  438  LEU  A  441  .  ?        ?     ?  
109  1  1  A  439  ASP  A  442  .  ?        1     ?  
110  1  1  A  440  SER  A  443  .  ?        ?     ?  
111  1  1  A  441  LYS  A  444  .  ?        ?     ?  
112  1  1  A  442  VAL  A  445  .  ?        ?     ?  
113  1  1  A  443  GLY  A  446  .  ?        ?     ?  
114  1  1  A  444  GLY  A  447  .  ?        ?     ?  
115  1  1  A  445  ASN  A  448  .  ?        1     ?  
116  1  1  A  446  TYR  A  449  .  ?        ?     ?  
117  1  1  A  447  ASN  A  450  .  ?        ?     ?  
118  1  1  A  448  TYR  A  451  .  ?        ?     ?  
119  1  1  A  449  LEU  A  452  .  ?        ?     ?  
120  1  1  A  450  TYR  A  453  .  ?        ?     ?  
121  1  1  A  451  ARG  A  454  .  ?        ?     ?  
122  1  1  A  452  LEU  A  455  .  ?        ?     ?  
123  1  1  A  453  PHE  A  456  .  ?        ?     ?  
124  1  1  A  454  ARG  A  457  .  ?        2     ?  
125  1  1  A  455  LYS  A  458  .  ?        ?     ?  
126  1  1  A  456  SER  A  459  .  ?        ?     ?  
127  1  1  A  457  ASN  A  460  .  ?        ?     ?  
128  1  1  A  458  LEU  A  461  .  ?        2     ?  
129  1  1  A  459  LYS  A  462  .  ?        2     ?  
130  1  1  A  460  PRO  A  463  .  ?        ?     ?  
131  1  1  A  461  PHE  A  464  .  ?        ?     ?  
132  1  1  A  462  GLU  A  465  .  ?        ?     ?  
133  1  1  A  463  ARG  A  466  .  ?        2     ?  
134  1  1  A  464  ASP  A  467  .  ?        1     ?  
135  1  1  A  465  ILE  A  468  .  ?        1     ?  
136  1  1  A  466  SER  A  469  .  ?        ?     ?  
137  1  1  A  467  THR  A  470  .  ?        ?     ?  
138  1  1  A  468  GLU  A  471  .  ?        ?     ?  
139  1  1  A  469  ILE  A  472  .  ?        ?     ?  
140  1  1  A  470  TYR  A  473  .  ?        ?     ?  
141  1  1  A  471  GLN  A  474  .  ?        ?     ?  
142  1  1  A  472  ALA  A  475  .  ?        ?     ?  
143  1  1  A  473  GLY  A  476  .  ?        ?     ?  
144  1  1  A  474  SER  A  477  .  ?        ?     ?  
145  1  1  A  475  THR  A  478  .  ?        ?     ?  
146  1  1  A  476  PRO  A  479  .  ?        ?     ?  
147  1  1  A  477  CYS  A  480  .  ?        ?     ?  
148  1  1  A  478  ASN  A  481  .  ?        ?     ?  
149  1  1  A  479  GLY  A  482  .  ?        ?     ?  
150  1  1  A  480  VAL  A  483  .  ?        ?     ?  
151  1  1  A  481  LYS  A  484  .  ?        ?     ?  
152  1  1  A  482  GLY  A  485  .  ?        ?     ?  
153  1  1  A  483  PHE  A  486  .  ?        ?     ?  
154  1  1  A  484  ASN  A  487  .  ?        ?     ?  
155  1  1  A  485  CYS  A  488  .  ?        ?     ?  
156  1  1  A  486  TYR  A  489  .  ?        ?     ?  
157  1  1  A  487  PHE  A  490  .  ?        ?     ?  
158  1  1  A  488  PRO  A  491  .  ?        ?     ?  
159  1  1  A  489  LEU  A  492  .  ?        ?     ?  
160  1  1  A  490  GLN  A  493  .  ?        ?     ?  
161  1  1  A  491  SER  A  494  .  ?        ?     ?  
162  1  1  A  492  TYR  A  495  .  ?        ?     ?  
163  1  1  A  493  GLY  A  496  .  ?        ?     ?  
164  1  1  A  494  PHE  A  497  .  ?        ?     ?  
165  1  1  A  495  GLN  A  498  .  ?        ?     ?  
166  1  1  A  496  PRO  A  499  .  ?        ?     ?  
167  1  1  A  497  THR  A  500  .  ?        ?     ?  
168  1  1  A  498  TYR  A  501  .  ?        ?     ?  
169  1  1  A  499  GLY  A  502  .  ?        ?     ?  
170  1  1  A  500  VAL  A  503  .  ?        ?     ?  
171  1  1  A  501  GLY  A  504  .  ?        ?     ?  
172  1  1  A  502  TYR  A  505  .  ?        ?     ?  
173  1  1  A  503  GLN  A  506  .  ?        ?     ?  
174  1  1  A  504  PRO  A  507  .  ?        ?     ?  
175  1  1  A  505  TYR  A  508  .  ?        1     ?  
176  1  1  A  506  ARG  A  509  .  ?        ?     ?  
177  1  1  A  507  VAL  A  510  .  ?        ?     ?  
178  1  1  A  508  VAL  A  511  .  ?        ?     ?  
179  1  1  A  509  VAL  A  512  .  ?        ?     ?  
180  1  1  A  510  LEU  A  513  .  ?        ?     ?  
181  1  1  A  511  SER  A  514  .  ?        ?     ?  
182  1  1  A  512  PHE  A  515  .  ?        ?     ?  
183  1  1  A  513  GLU  A  516  .  ?        1     ?  
184  1  2  B    1  GLU  B    1  .  ?        ?     ?  
185  1  2  B    2  LEU  B    2  .  ?        2     ?  
186  1  2  B    3  GLN  B    3  .  ?        2     ?  
187  1  2  B    4  LEU  B    4  .  ?        ?     ?  
188  1  2  B    5  VAL  B    5  .  ?        1     ?  
189  1  2  B    6  GLN  B    6  .  ?        2     ?  
190  1  2  B    7  SER  B    7  .  ?        ?     ?  
191  1  2  B    8  GLY  B    8  .  ?        ?     ?  
192  1  2  B    9  ALA  B    9  .  ?        ?     ?  
193  1  2  B   10  GLU  B   10  .  ?        2     ?  
194  1  2  B   11  VAL  B   11  .  ?        3     ?  
195  1  2  B   12  LYS  B   12  .  ?        1     ?  
196  1  2  B   13  LYS  B   13  .  ?        ?     ?  
197  1  2  B   14  PRO  B   14  .  ?        ?     ?  
198  1  2  B   15  GLY  B   15  .  ?        2     ?  
199  1  2  B   16  GLU  B   16  .  ?        ?     ?  
200  1  2  B   17  SER  B   17  .  ?        ?     ?  
201  1  2  B   18  LEU  B   18  .  ?        1     ?  
202  1  2  B   19  LYS  B   19  .  ?        ?     ?  
203  1  2  B   20  ILE  B   20  .  ?        1     ?  
204  1  2  B   21  SER  B   21  .  ?        ?     ?  
205  1  2  B   22  CYS  B   22  .  ?        ?     ?  
206  1  2  B   23  LYS  B   23  .  ?        ?     ?  
207  1  2  B   24  TYR  B   24  .  ?        1     ?  
208  1  2  B   25  SER  B   25  .  ?        1     ?  
209  1  2  B   26  GLY  B   26  .  ?        ?     ?  
210  1  2  B   27  ASN  B   27  .  ?        ?     ?  
211  1  2  B   28  ILE  B   28  .  ?        ?     ?  
212  1  2  B   29  SER  B   29  .  ?        ?     ?  
213  1  2  B   30  PRO  B   30  .  ?        ?     ?  
214  1  2  B   31  ASN  B   31  .  ?        ?     1  
215  1  2  B   32  PHE  B   32  .  ?        2     ?  
216  1  2  B   33  TRP  B   33  .  ?        ?     ?  
217  1  2  B   34  ILE  B   34  .  ?        ?     ?  
218  1  2  B   35  GLY  B   35  .  ?        ?     ?  
219  1  2  B   36  TRP  B   36  .  ?        ?     ?  
220  1  2  B   37  VAL  B   37  .  ?        ?     ?  
221  1  2  B   38  ARG  B   38  .  ?        1     ?  
222  1  2  B   39  GLN  B   39  .  ?        ?     ?  
223  1  2  B   40  MET  B   40  .  ?        1     ?  
224  1  2  B   41  ALA  B   41  .  ?        ?     ?  
225  1  2  B   42  GLY  B   42  .  ?        ?     ?  
226  1  2  B   43  LYS  B   43  .  ?        1     ?  
227  1  2  B   44  GLY  B   44  .  ?        ?     ?  
228  1  2  B   45  LEU  B   45  .  ?        1     ?  
229  1  2  B   46  GLU  B   46  .  ?        ?     ?  
230  1  2  B   47  TRP  B   47  .  ?        ?     ?  
231  1  2  B   48  MET  B   48  .  ?        1     ?  
232  1  2  B   49  GLY  B   49  .  ?        ?     ?  
233  1  2  B   50  ILE  B   50  .  ?        ?     ?  
234  1  2  B   51  ILE  B   51  .  ?        ?     ?  
235  1  2  B   52  TYR  B   52  .  ?        1     ?  
236  1  2  B   53  PRO  B   53  .  ?        ?     ?  
237  1  2  B   54  ASP  B   54  .  ?        ?     ?  
238  1  2  B   55  ASP  B   55  .  ?        ?     ?  
239  1  2  B   56  SER  B   56  .  ?        1     ?  
240  1  2  B   57  ASP  B   57  .  ?        ?     ?  
241  1  2  B   58  SER  B   58  .  ?        ?     ?  
242  1  2  B   59  ARG  B   59  .  ?        ?     ?  
243  1  2  B   60  TYR  B   60  .  ?        1     ?  
244  1  2  B   61  SER  B   61  .  ?        1     ?  
245  1  2  B   62  PRO  B   62  .  ?        ?     ?  
246  1  2  B   63  SER  B   63  .  ?        1     ?  
247  1  2  B   64  PHE  B   64  .  ?        ?     ?  
248  1  2  B   65  GLN  B   65  .  ?        ?     ?  
249  1  2  B   66  GLY  B   66  .  ?        1     ?  
250  1  2  B   67  GLN  B   67  .  ?        ?     ?  
251  1  2  B   68  VAL  B   68  .  ?        ?     ?  
252  1  2  B   69  ILE  B   69  .  ?        1     ?  
253  1  2  B   70  ILE  B   70  .  ?        ?     ?  
254  1  2  B   71  SER  B   71  .  ?        ?     ?  
255  1  2  B   72  ALA  B   72  .  ?        ?     ?  
256  1  2  B   73  ASP  B   73  .  ?        ?     ?  
257  1  2  B   74  LYS  B   74  .  ?        ?     ?  
258  1  2  B   75  SER  B   75  .  ?        ?     ?  
259  1  2  B   76  ILE  B   76  .  ?        ?     ?  
260  1  2  B   77  THR  B   77  .  ?        1     ?  
261  1  2  B   78  THR  B   78  .  ?        ?     ?  
262  1  2  B   79  ALA  B   79  .  ?        ?     ?  
263  1  2  B   80  LEU  B   80  .  ?        ?     ?  
264  1  2  B   81  LEU  B   81  .  ?        ?     ?  
265  1  2  B   82  HIS  B   82  .  ?        ?     ?  
266  1  2  B   83  TRP  B   83  .  ?        ?     ?  
267  1  2  B   84  SER  B   84  .  ?        ?     ?  
268  1  2  B   85  SER  B   85  .  ?        ?     ?  
269  1  2  B   86  LEU  B   86  .  ?        1     ?  
270  1  2  B   87  LYS  B   87  .  ?        2     ?  
271  1  2  B   88  VAL  B   88  .  ?        ?     ?  
272  1  2  B   89  SER  B   89  .  ?        ?     ?  
273  1  2  B   90  ASP  B   90  .  ?        ?     ?  
274  1  2  B   91  THR  B   91  .  ?        ?     ?  
275  1  2  B   92  ALA  B   92  .  ?        ?     ?  
276  1  2  B   93  LYS  B   93  .  ?        1     ?  
277  1  2  B   94  TYR  B   94  .  ?        ?     ?  
278  1  2  B   95  TYR  B   95  .  ?        ?     ?  
279  1  2  B   96  CYS  B   96  .  ?        1     ?  
280  1  2  B   97  VAL  B   97  .  ?        ?     ?  
281  1  2  B   98  TYR  B   98  .  ?        4     ?  
282  1  2  B   99  GLY  B   99  .  ?        1     ?  
283  1  2  B  100  SER  B  100  .  ?        1     ?  
284  1  2  B  101  GLY  B  101  .  ?        ?     ?  
285  1  2  B  102  SER  B  102  .  ?        1     ?  
286  1  2  B  103  PRO  B  103  .  ?        ?     ?  
287  1  2  B  104  SER  B  104  .  ?        1     ?  
288  1  2  B  105  ASN  B  105  .  ?        ?     ?  
289  1  2  B  106  TRP  B  106  .  ?        1     ?  
290  1  2  B  107  PHE  B  107  .  ?        ?     ?  
291  1  2  B  108  HIS  B  108  .  ?        1     ?  
292  1  2  B  109  PRO  B  109  .  ?        2     ?  
293  1  2  B  110  TRP  B  110  .  ?        ?     ?  
294  1  2  B  111  GLY  B  111  .  ?        ?     ?  
295  1  2  B  112  GLN  B  112  .  ?        1     ?  
296  1  2  B  113  GLY  B  113  .  ?        1     ?  
297  1  2  B  114  THR  B  114  .  ?        1     1  
298  1  2  B  115  LEU  B  115  .  ?        2     ?  
299  1  2  B  116  VAL  B  116  .  ?        ?     ?  
300  1  2  B  117  THR  B  117  .  ?        ?     ?  
301  1  2  B  118  VAL  B  118  .  ?        1     ?  
302  1  2  B  119  SER  B  119  .  ?        ?     ?  
303  1  2  B  120  SER  B  120  .  ?        ?     ?  
304  1  3  C    1  GLU  C    1  .  ?        1     ?  
305  1  3  C    2  VAL  C    2  .  ?        ?     ?  
306  1  3  C    3  VAL  C    3  .  ?        ?     ?  
307  1  3  C    4  MET  C    4  .  ?        ?     ?  
308  1  3  C    5  THR  C    5  .  ?        ?     ?  
309  1  3  C    6  GLN  C    6  .  ?        1     ?  
310  1  3  C    7  SER  C    7  .  ?        ?     ?  
311  1  3  C    8  PRO  C    8  .  ?        ?     ?  
312  1  3  C    9  ALA  C    9  .  ?        ?     ?  
313  1  3  C   10  THR  C   10  .  ?        ?     ?  
314  1  3  C   11  LEU  C   11  .  ?        ?     ?  
315  1  3  C   12  SER  C   12  .  ?        ?     ?  
316  1  3  C   13  VAL  C   13  .  ?        ?     ?  
317  1  3  C   14  SER  C   14  .  ?        ?     ?  
318  1  3  C   15  PRO  C   15  .  ?        ?     ?  
319  1  3  C   16  GLY  C   16  .  ?        ?     ?  
320  1  3  C   17  GLU  C   17  .  ?        ?     ?  
321  1  3  C   18  ARG  C   18  .  ?        ?     ?  
322  1  3  C   19  ALA  C   19  .  ?        ?     ?  
323  1  3  C   20  THR  C   20  .  ?        ?     ?  
324  1  3  C   21  LEU  C   21  .  ?        ?     ?  
325  1  3  C   22  SER  C   22  .  ?        ?     ?  
326  1  3  C   23  CYS  C   23  .  ?        ?     ?  
327  1  3  C   24  ARG  C   24  .  ?        ?     ?  
328  1  3  C   25  ALA  C   25  .  ?        ?     ?  
329  1  3  C   26  SER  C   26  .  ?        1     ?  
330  1  3  C   27  GLN  C   27  .  ?        1     ?  
331  1  3  C   28  SER  C   28  .  ?        ?     ?  
332  1  3  C   29  VAL  C   29  .  ?        ?     ?  
333  1  3  C   30  ARG  C   30  .  ?        1     ?  
334  1  3  C   31  TYR  C   31  .  ?        1     ?  
335  1  3  C   32  ASN  C   32  .  ?        ?     ?  
336  1  3  C   33  LEU  C   33  .  ?        1     ?  
337  1  3  C   34  ALA  C   34  .  ?        1     ?  
338  1  3  C   35  TRP  C   35  .  ?        ?     ?  
339  1  3  C   36  TYR  C   36  .  ?        ?     ?  
340  1  3  C   37  GLN  C   37  .  ?        ?     ?  
341  1  3  C   38  GLN  C   38  .  ?        ?     ?  
342  1  3  C   39  LYS  C   39  .  ?        ?     ?  
343  1  3  C   40  PRO  C   40  .  ?        ?     ?  
344  1  3  C   41  GLY  C   41  .  ?        ?     ?  
345  1  3  C   42  GLN  C   42  .  ?        ?     ?  
346  1  3  C   43  ALA  C   43  .  ?        ?     ?  
347  1  3  C   44  PRO  C   44  .  ?        ?     ?  
348  1  3  C   45  ARG  C   45  .  ?        ?     ?  
349  1  3  C   46  LEU  C   46  .  ?        ?     ?  
350  1  3  C   47  LEU  C   47  .  ?        ?     ?  
351  1  3  C   48  ILE  C   48  .  ?        ?     ?  
352  1  3  C   49  TYR  C   49  .  ?        ?     ?  
353  1  3  C   50  ASP  C   50  .  ?        ?     ?  
354  1  3  C   51  ALA  C   51  .  ?        ?     ?  
355  1  3  C   52  SER  C   52  .  ?        ?     ?  
356  1  3  C   53  THR  C   53  .  ?        ?     ?  
357  1  3  C   54  ARG  C   54  .  ?        2     ?  
358  1  3  C   55  ALA  C   55  .  ?        ?     ?  
359  1  3  C   56  THR  C   56  .  ?        ?     ?  
360  1  3  C   57  GLY  C   57  .  ?        ?     ?  
361  1  3  C   58  ILE  C   58  .  ?        1     ?  
362  1  3  C   59  PRO  C   59  .  ?        ?     ?  
363  1  3  C   60  GLY  C   60  .  ?        1     ?  
364  1  3  C   61  ARG  C   61  .  ?        1     ?  
365  1  3  C   62  PHE  C   62  .  ?        ?     ?  
366  1  3  C   63  SER  C   63  .  ?        1     ?  
367  1  3  C   64  GLY  C   64  .  ?        ?     ?  
368  1  3  C   65  SER  C   65  .  ?        1     ?  
369  1  3  C   66  GLY  C   66  .  ?        ?     ?  
370  1  3  C   67  SER  C   67  .  ?        ?     ?  
371  1  3  C   68  GLY  C   68  .  ?        ?     ?  
372  1  3  C   69  THR  C   69  .  ?        ?     ?  
373  1  3  C   70  GLU  C   70  .  ?        ?     ?  
374  1  3  C   71  PHE  C   71  .  ?        ?     ?  
375  1  3  C   72  THR  C   72  .  ?        1     ?  
376  1  3  C   73  LEU  C   73  .  ?        ?     ?  
377  1  3  C   74  THR  C   74  .  ?        1     ?  
378  1  3  C   75  ILE  C   75  .  ?        ?     ?  
379  1  3  C   76  SER  C   76  .  ?        ?     ?  
380  1  3  C   77  SER  C   77  .  ?        ?     ?  
381  1  3  C   78  LEU  C   78  .  ?        ?     ?  
382  1  3  C   79  GLN  C   79  .  ?        1     ?  
383  1  3  C   80  SER  C   80  .  ?        ?     ?  
384  1  3  C   81  GLU  C   81  .  ?        ?     ?  
385  1  3  C   82  ASP  C   82  .  ?        ?     ?  
386  1  3  C   83  PHE  C   83  .  ?        ?     ?  
387  1  3  C   84  ALA  C   84  .  ?        ?     ?  
388  1  3  C   85  VAL  C   85  .  ?        ?     ?  
389  1  3  C   86  TYR  C   86  .  ?        ?     ?  
390  1  3  C   87  TYR  C   87  .  ?        ?     ?  
391  1  3  C   88  CYS  C   88  .  ?        1     ?  
392  1  3  C   89  GLN  C   89  .  ?        1     ?  
393  1  3  C   90  GLN  C   90  .  ?        1     ?  
394  1  3  C   91  TYR  C   91  .  ?        ?     ?  
395  1  3  C   92  ASP  C   92  .  ?        ?     ?  
396  1  3  C   93  ASN  C   93  .  ?        ?     ?  
397  1  3  C   94  TRP  C   94  .  ?        ?     ?  
398  1  3  C   95  PRO  C   95  .  ?        1     ?  
399  1  3  C   96  PRO  C   96  .  ?        3     ?  
400  1  3  C   97  TRP  C   97  .  ?        ?     ?  
401  1  3  C   98  THR  C   98  .  ?        1     ?  
402  1  3  C   99  PHE  C   99  .  ?        1     ?  
403  1  3  C  100  GLY  C  100  .  ?        ?     ?  
404  1  3  C  101  GLN  C  101  .  ?        ?     ?  
405  1  3  C  102  GLY  C  102  .  ?        ?     ?  
406  1  3  C  103  THR  C  103  .  ?        ?     ?  
407  1  3  C  104  LYS  C  104  .  ?        ?     ?  
408  1  3  C  105  VAL  C  105  .  ?        ?     ?  
409  1  3  C  106  GLU  C  106  .  ?        2     ?  
410  1  3  C  107  ILE  C  107  .  ?        ?     ?  
411  1  3  C  108  LYS  C  108  .  ?        ?     ?  
412  1  4  D    1  GLU  H    1  .  ?        ?     ?  
413  1  4  D    2  VAL  H    2  .  ?        ?     ?  
414  1  4  D    3  GLN  H    3  .  ?        2     ?  
415  1  4  D    4  LEU  H    4  .  ?        1     ?  
416  1  4  D    5  VAL  H    5  .  ?        ?     ?  
417  1  4  D    6  GLU  H    6  .  ?        1     ?  
418  1  4  D    7  SER  H    7  .  ?        ?     ?  
419  1  4  D    8  GLY  H    8  .  ?        ?     ?  
420  1  4  D    9  GLY  H    9  .  ?        ?     ?  
421  1  4  D   10  GLY  H   10  .  ?        ?     ?  
422  1  4  D   11  PHE  H   11  .  ?        ?     ?  
423  1  4  D   12  VAL  H   12  .  ?        ?     ?  
424  1  4  D   13  LYS  H   13  .  ?        ?     ?  
425  1  4  D   14  PRO  H   14  .  ?        ?     ?  
426  1  4  D   15  GLY  H   15  .  ?        ?     ?  
427  1  4  D   16  GLY  H   16  .  ?        ?     ?  
428  1  4  D   17  SER  H   17  .  ?        1     ?  
429  1  4  D   18  LEU  H   18  .  ?        2     ?  
430  1  4  D   19  ARG  H   19  .  ?        2     ?  
431  1  4  D   20  LEU  H   20  .  ?        ?     ?  
432  1  4  D   21  SER  H   21  .  ?        ?     ?  
433  1  4  D   22  CYS  H   22  .  ?        ?     ?  
434  1  4  D   23  ALA  H   23  .  ?        ?     ?  
435  1  4  D   24  ALA  H   24  .  ?        1     ?  
436  1  4  D   25  SER  H   25  .  ?        ?     ?  
437  1  4  D   26  GLY  H   26  .  ?        ?     ?  
438  1  4  D   27  PHE  H   27  .  ?        ?     1  
439  1  4  D   28  LYS  H   28  .  ?        ?     ?  
440  1  4  D   29  PHE  H   29  .  ?        ?     ?  
441  1  4  D   30  SER  H   30  .  ?        ?     ?  
442  1  4  D   31  ASP  H   31  .  ?        ?     ?  
443  1  4  D   32  ALA  H   32  .  ?        ?     ?  
444  1  4  D   33  TRP  H   33  .  ?        ?     ?  
445  1  4  D   34  MET  H   34  .  ?        ?     ?  
446  1  4  D   35  ASN  H   35  .  ?        1     ?  
447  1  4  D   36  TRP  H   36  .  ?        1     ?  
448  1  4  D   37  VAL  H   37  .  ?        ?     ?  
449  1  4  D   38  ARG  H   38  .  ?        1     ?  
450  1  4  D   39  GLN  H   39  .  ?        ?     ?  
451  1  4  D   40  ALA  H   40  .  ?        ?     ?  
452  1  4  D   41  PRO  H   41  .  ?        ?     ?  
453  1  4  D   42  GLY  H   42  .  ?        ?     ?  
454  1  4  D   43  LYS  H   43  .  ?        ?     ?  
455  1  4  D   44  GLY  H   44  .  ?        ?     ?  
456  1  4  D   45  LEU  H   45  .  ?        ?     ?  
457  1  4  D   46  GLU  H   46  .  ?        1     ?  
458  1  4  D   47  TRP  H   47  .  ?        ?     ?  
459  1  4  D   48  VAL  H   48  .  ?        1     ?  
460  1  4  D   49  GLY  H   49  .  ?        ?     ?  
461  1  4  D   50  ARG  H   50  .  ?        ?     ?  
462  1  4  D   51  ILE  H   51  .  ?        ?     ?  
463  1  4  D   52  LYS  H   52  .  ?        ?     ?  
464  1  4  D   53  SER  H   53  .  ?        2     ?  
465  1  4  D   54  LYS  H   54  .  ?        3     ?  
466  1  4  D   55  ALA  H   55  .  ?        ?     ?  
467  1  4  D   56  ASP  H   56  .  ?        ?     ?  
468  1  4  D   57  GLY  H   57  .  ?        ?     ?  
469  1  4  D   58  GLN  H   58  .  ?        1     ?  
470  1  4  D   59  THR  H   59  .  ?        ?     ?  
471  1  4  D   60  THR  H   60  .  ?        ?     ?  
472  1  4  D   61  ASP  H   61  .  ?        ?     ?  
473  1  4  D   62  TYR  H   62  .  ?        2     ?  
474  1  4  D   63  ALA  H   63  .  ?        ?     ?  
475  1  4  D   64  ALA  H   64  .  ?        ?     ?  
476  1  4  D   65  PRO  H   65  .  ?        ?     ?  
477  1  4  D   66  VAL  H   66  .  ?        1     ?  
478  1  4  D   67  LYS  H   67  .  ?        3     ?  
479  1  4  D   68  GLY  H   68  .  ?        ?     ?  
480  1  4  D   69  ARG  H   69  .  ?        ?     ?  
481  1  4  D   70  PHE  H   70  .  ?        1     ?  
482  1  4  D   71  SER  H   71  .  ?        ?     ?  
483  1  4  D   72  ILE  H   72  .  ?        1     ?  
484  1  4  D   73  SER  H   73  .  ?        ?     ?  
485  1  4  D   74  ARG  H   74  .  ?        2     ?  
486  1  4  D   75  ASP  H   75  .  ?        ?     ?  
487  1  4  D   76  ASP  H   76  .  ?        ?     ?  
488  1  4  D   77  SER  H   77  .  ?        ?     ?  
489  1  4  D   78  LYS  H   78  .  ?        ?     ?  
490  1  4  D   79  ASN  H   79  .  ?        ?     ?  
491  1  4  D   80  THR  H   80  .  ?        ?     ?  
492  1  4  D   81  LEU  H   81  .  ?        ?     ?  
493  1  4  D   82  PHE  H   82  .  ?        ?     ?  
494  1  4  D   83  LEU  H   83  .  ?        ?     ?  
495  1  4  D   84  GLN  H   84  .  ?        ?     ?  
496  1  4  D   85  ILE  H   85  .  ?        ?     ?  
497  1  4  D   86  HIS  H   86  .  ?        1     ?  
498  1  4  D   87  ASN  H   87  .  ?        ?     ?  
499  1  4  D   88  LEU  H   88  .  ?        ?     ?  
500  1  4  D   89  GLU  H   89  .  ?        ?     ?  
501  1  4  D   90  SER  H   90  .  ?        ?     ?  
502  1  4  D   91  ASP  H   91  .  ?        ?     ?  
503  1  4  D   92  ASP  H   92  .  ?        ?     ?  
504  1  4  D   93  THR  H   93  .  ?        1     ?  
505  1  4  D   94  ALA  H   94  .  ?        ?     ?  
506  1  4  D   95  VAL  H   95  .  ?        ?     ?  
507  1  4  D   96  TYR  H   96  .  ?        ?     ?  
508  1  4  D   97  TYR  H   97  .  ?        ?     ?  
509  1  4  D   98  CYS  H   98  .  ?        ?     ?  
510  1  4  D   99  THR  H   99  .  ?        ?     ?  
511  1  4  D  100  THR  H  100  .  ?        ?     ?  
512  1  4  D  101  GLY  H  101  .  ?        ?     ?  
513  1  4  D  102  ALA  H  102  .  ?        1     ?  
514  1  4  D  103  LEU  H  103  .  ?        ?     ?  
515  1  4  D  104  VAL  H  104  .  ?        ?     ?  
516  1  4  D  105  GLU  H  105  .  ?        1     ?  
517  1  4  D  106  SER  H  106  .  ?        ?     ?  
518  1  4  D  107  ARG  H  107  .  ?        1     ?  
519  1  4  D  108  TYR  H  108  .  ?        ?     ?  
520  1  4  D  109  PHE  H  109  .  ?        ?     ?  
521  1  4  D  110  ASP  H  110  .  ?        1     ?  
522  1  4  D  111  TRP  H  111  .  ?        ?     ?  
523  1  4  D  112  PHE  H  112  .  ?        ?     ?  
524  1  4  D  113  THR  H  113  .  ?        ?     ?  
525  1  4  D  114  GLY  H  114  .  ?        ?     ?  
526  1  4  D  115  TYR  H  115  .  ?        2     ?  
527  1  4  D  116  TYR  H  116  .  ?        2     ?  
528  1  4  D  117  PHE  H  117  .  ?        2     ?  
529  1  4  D  118  ASP  H  118  .  ?        ?     ?  
530  1  4  D  119  TYR  H  119  .  ?        ?     ?  
531  1  4  D  120  TRP  H  120  .  ?        ?     ?  
532  1  4  D  121  GLY  H  121  .  ?        ?     ?  
533  1  4  D  122  GLN  H  122  .  ?        ?     ?  
534  1  4  D  123  GLY  H  123  .  ?        1     ?  
535  1  4  D  124  THR  H  124  .  ?        ?     ?  
536  1  4  D  125  LEU  H  125  .  ?        ?     ?  
537  1  4  D  126  VAL  H  126  .  ?        ?     ?  
538  1  4  D  127  THR  H  127  .  ?        ?     ?  
539  1  4  D  128  VAL  H  128  .  ?        1     ?  
540  1  4  D  129  SER  H  129  .  ?        ?     ?  
541  1  5  E    1  ASP  L    1  .  ?        ?     ?  
542  1  5  E    2  ILE  L    2  .  ?        ?     ?  
543  1  5  E    3  GLN  L    3  .  ?        ?     ?  
544  1  5  E    4  MET  L    4  .  ?        ?     ?  
545  1  5  E    5  THR  L    5  .  ?        ?     ?  
546  1  5  E    6  GLN  L    6  .  ?        1     ?  
547  1  5  E    7  SER  L    7  .  ?        ?     ?  
548  1  5  E    8  PRO  L    8  .  ?        1     ?  
549  1  5  E    9  SER  L    9  .  ?        ?     ?  
550  1  5  E   10  SER  L   10  .  ?        2     ?  
551  1  5  E   11  LEU  L   11  .  ?        2     ?  
552  1  5  E   12  SER  L   12  .  ?        ?     ?  
553  1  5  E   13  ALA  L   13  .  ?        ?     ?  
554  1  5  E   14  SER  L   14  .  ?        2     ?  
555  1  5  E   15  VAL  L   15  .  ?        ?     ?  
556  1  5  E   16  GLY  L   16  .  ?        ?     ?  
557  1  5  E   17  ASP  L   17  .  ?        ?     ?  
558  1  5  E   18  ARG  L   18  .  ?        ?     ?  
559  1  5  E   19  VAL  L   19  .  ?        1     ?  
560  1  5  E   20  THR  L   20  .  ?        1     ?  
561  1  5  E   21  ILE  L   21  .  ?        ?     ?  
562  1  5  E   22  THR  L   22  .  ?        ?     ?  
563  1  5  E   23  CYS  L   23  .  ?        ?     ?  
564  1  5  E   24  ARG  L   24  .  ?        ?     ?  
565  1  5  E   25  THR  L   25  .  ?        ?     ?  
566  1  5  E   26  SER  L   26  .  ?        ?     ?  
567  1  5  E   27  GLN  L   27  .  ?        ?     ?  
568  1  5  E   28  GLY  L   28  .  ?        ?     ?  
569  1  5  E   29  ILE  L   29  .  ?        ?     ?  
570  1  5  E   30  TYR  L   30  .  ?        1     ?  
571  1  5  E   31  ASN  L   31  .  ?        ?     ?  
572  1  5  E   32  TYR  L   32  .  ?        ?     ?  
573  1  5  E   33  LEU  L   33  .  ?        2     ?  
574  1  5  E   34  ALA  L   34  .  ?        ?     ?  
575  1  5  E   35  TRP  L   35  .  ?        ?     ?  
576  1  5  E   36  TYR  L   36  .  ?        1     ?  
577  1  5  E   37  GLN  L   37  .  ?        ?     ?  
578  1  5  E   38  GLN  L   38  .  ?        1     ?  
579  1  5  E   39  LYS  L   39  .  ?        2     ?  
580  1  5  E   40  PRO  L   40  .  ?        1     ?  
581  1  5  E   41  GLY  L   41  .  ?        ?     ?  
582  1  5  E   42  LYS  L   42  .  ?        3     ?  
583  1  5  E   43  VAL  L   43  .  ?        ?     ?  
584  1  5  E   44  PRO  L   44  .  ?        ?     ?  
585  1  5  E   45  LYS  L   45  .  ?        ?     ?  
586  1  5  E   46  LEU  L   46  .  ?        ?     ?  
587  1  5  E   47  LEU  L   47  .  ?        ?     ?  
588  1  5  E   48  ILE  L   48  .  ?        ?     ?  
589  1  5  E   49  TYR  L   49  .  ?        ?     ?  
590  1  5  E   50  GLY  L   50  .  ?        ?     ?  
591  1  5  E   51  ALA  L   51  .  ?        ?     ?  
592  1  5  E   52  SER  L   52  .  ?        ?     ?  
593  1  5  E   53  THR  L   53  .  ?        ?     ?  
594  1  5  E   54  LEU  L   54  .  ?        ?     ?  
595  1  5  E   55  GLN  L   55  .  ?        2     ?  
596  1  5  E   56  SER  L   56  .  ?        1     ?  
597  1  5  E   57  GLY  L   57  .  ?        ?     ?  
598  1  5  E   58  VAL  L   58  .  ?        1     ?  
599  1  5  E   59  PRO  L   59  .  ?        ?     ?  
600  1  5  E   60  SER  L   60  .  ?        ?     ?  
601  1  5  E   61  ARG  L   61  .  ?        ?     ?  
602  1  5  E   62  PHE  L   62  .  ?        ?     ?  
603  1  5  E   63  SER  L   63  .  ?        1     ?  
604  1  5  E   64  GLY  L   64  .  ?        ?     ?  
605  1  5  E   65  SER  L   65  .  ?        ?     ?  
606  1  5  E   66  GLY  L   66  .  ?        ?     ?  
607  1  5  E   67  SER  L   67  .  ?        1     ?  
608  1  5  E   68  GLY  L   68  .  ?        ?     ?  
609  1  5  E   69  THR  L   69  .  ?        ?     ?  
610  1  5  E   70  ASP  L   70  .  ?        ?     ?  
611  1  5  E   71  PHE  L   71  .  ?        2     ?  
612  1  5  E   72  THR  L   72  .  ?        ?     ?  
613  1  5  E   73  LEU  L   73  .  ?        ?     ?  
614  1  5  E   74  THR  L   74  .  ?        2     ?  
615  1  5  E   75  ILE  L   75  .  ?        1     ?  
616  1  5  E   76  SER  L   76  .  ?        ?     ?  
617  1  5  E   77  SER  L   77  .  ?        ?     ?  
618  1  5  E   78  LEU  L   78  .  ?        ?     ?  
619  1  5  E   79  GLN  L   79  .  ?        ?     ?  
620  1  5  E   80  PRO  L   80  .  ?        ?     ?  
621  1  5  E   81  GLU  L   81  .  ?        ?     ?  
622  1  5  E   82  ASP  L   82  .  ?        ?     ?  
623  1  5  E   83  VAL  L   83  .  ?        ?     ?  
624  1  5  E   84  ALA  L   84  .  ?        1     ?  
625  1  5  E   85  THR  L   85  .  ?        ?     ?  
626  1  5  E   86  TYR  L   86  .  ?        1     ?  
627  1  5  E   87  TYR  L   87  .  ?        ?     ?  
628  1  5  E   88  CYS  L   88  .  ?        ?     ?  
629  1  5  E   89  GLN  L   89  .  ?        1     ?  
630  1  5  E   90  LYS  L   90  .  ?        1     ?  
631  1  5  E   91  TYR  L   91  .  ?        3     ?  
632  1  5  E   92  LYS  L   92  .  ?        ?     ?  
633  1  5  E   93  SER  L   93  .  ?        ?     ?  
634  1  5  E   94  ALA  L   94  .  ?        ?     ?  
635  1  5  E   95  PRO  L   95  .  ?        1     ?  
636  1  5  E   96  LEU  L   96  .  ?        ?     ?  
637  1  5  E   97  THR  L   97  .  ?        1     ?  
638  1  5  E   98  PHE  L   98  .  ?        ?     ?  
639  1  5  E   99  GLY  L   99  .  ?        ?     ?  
640  1  5  E  100  GLY  L  100  .  ?        ?     ?  
641  1  5  E  101  GLY  L  101  .  ?        ?     ?  
642  1  5  E  102  THR  L  102  .  ?        ?     ?  
643  1  5  E  103  LYS  L  103  .  ?        1     ?  
644  1  5  E  104  VAL  L  104  .  ?        ?     ?  
645  1  5  E  105  GLU  L  105  .  ?        1     ?  
646  1  5  E  106  ILE  L  106  .  ?        1     ?  
647  1  5  E  107  LYS  L  107  .  ?        2     ?  
648  1  5  E  108  ARG  L  108  .  ?        ?     ?  
#
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.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
  1    1  t-20          ?       ?  ?        ?      5   8  0.20  11  0.33  molprobity  
  2    2  mm?       -70.1   160.5  Favored  ?     11   8  0.24  11  0.53  molprobity  
  3    3  m         -75.9   157.0  Favored  ?      4   6  0.35   9  0.39  molprobity  
  4    4  Cg_exo    -82.1    18.2  Allowed  ?      7   8  0.27  11  0.49  molprobity  
  5    5  m-85      -40.1   -37.9  Allowed  ?      9  12  0.41  16  0.41  molprobity  
  6    6  ?         -57.7   -46.1  Favored  ?      3   4  0.11   5  0.45  molprobity  
  7    7  pp20?     -68.3   -26.2  Favored  ?      6   9  0.32  12  0.64  molprobity  
  8    8  t         -70.1   -44.0  Favored  ?      9   7  0.34  10  0.43  molprobity  
  9    9  m-85      -86.2   -36.5  Favored  ?      9  12  0.46  16  0.30  molprobity  
 10   10  m-20      -91.9    28.3  Allowed  ?      6   8  0.25  11  0.26  molprobity  
 11   11  ?         -66.2   165.1  Favored  ?      5   5  0.24   7  0.54  molprobity  
 12   12  m         -80.4   -62.5  Allowed  ?      7   7  0.20  10  0.49  molprobity  
 13   13  ptp180   -132.9   137.7  Favored  ?     13  11  0.34  14  0.60  molprobity  
 14   14  m-30      -97.5   161.6  Favored  ?      9  12  0.47  16  0.32  molprobity  
 15   15  ?         -85.8   177.7  Favored  ?      5   5  0.25   7  0.51  molprobity  
 16   16  m         -84.9   160.1  Favored  ?      5   6  0.18   8  0.45  molprobity  
 17   17  p         -65.7   -35.0  Favored  ?      9   7  0.50  10  0.53  molprobity  
 18   18  p90       -80.1   -12.5  Favored  ?      9  13  0.47  18  0.36  molprobity  
 19   19  ?        -126.0    48.5  Favored  ?      5   5  0.26   7  0.27  molprobity  
 20   20  p-90      -64.8   149.2  Favored  ?     10  16  0.27  23  0.28  molprobity  
 21   21  t-20      -87.0   155.4  Favored  ?      6   8  0.22  11  0.37  molprobity  
 22   22  ttm180   -136.2   134.7  Favored  ?     13  11  0.16  14  0.36  molprobity  
 23   23  tttp     -132.6   147.1  Favored  ?     13   9  0.23  11  0.37  molprobity  
 24   24  tmm_?    -111.1   136.1  Favored  ?     13  11  0.26  14  0.46  molprobity  
 25   25  mm       -124.7   126.6  Favored  ?     11   8  0.31  11  0.51  molprobity  
 26   26  m        -156.9   152.3  Favored  ?      5   6  0.21   8  0.57  molprobity  
 27   27  m-20       56.5    62.6  Favored  ?      6   8  0.19  11  0.50  molprobity  
 28   28  t        -154.9   164.4  Favored  ?      4   6  0.43   8  0.53  molprobity  
 29   29  t        -102.3   116.9  Favored  ?      9   7  0.30  10  0.47  molprobity  
 30   30  ?        -114.2   123.7  Favored  ?      5   5  0.32   7  0.41  molprobity  
 31   31  t0       -112.0   145.5  Favored  ?      4   8  0.24  11  0.48  molprobity  
 32   32  m-85     -123.8   -27.2  Favored  ?      9  13  0.39  18  0.42  molprobity  
 33   33  p         -58.1   -30.0  Favored  ?      5   6  0.17   8  0.24  molprobity  
 34   34  m         -65.0   -38.0  Favored  ?      9   7  0.24  10  0.44  molprobity  
 35   35  mp        -79.0   -39.5  Favored  ?     11   8  0.18  11  0.43  molprobity  
 36   36  t80       -66.2   -50.8  Favored  ?      9  13  0.34  18  0.54  molprobity  
 37   37  m-20      -86.1    60.8  Favored  ?      6   8  0.19  11  0.57  molprobity  
 38   38  t        -129.5   130.6  Favored  ?      5   6  0.27   8  0.39  molprobity  
 39   39  ?         -79.3    -7.6  Favored  ?      5   5  0.30   7  0.37  molprobity  
 40   40  t         -63.6   -43.1  Favored  ?      5   6  0.25   8  0.24  molprobity  
 41   41  m-30      -73.4   103.1  Favored  ?      9  12  0.39  16  0.30  molprobity  
 42   42  p         -62.3   -41.6  Favored  ?      5   6  0.23   8  0.23  molprobity  
 43   43  m        -120.9   133.1  Favored  ?      7   7  0.21  10  0.59  molprobity  
 44   44  t80      -157.7   110.8  Favored  ?      9  12  0.44  16  0.40  molprobity  
 45   45  ptmt     -148.1   142.9  Favored  ?     13   9  0.27  11  0.44  molprobity  
 46   46  m        -118.7   173.8  Favored  ?      4   6  0.19   8  0.47  molprobity  
 47   47  m-85     -135.4   139.4  Favored  ?      9  13  0.47  18  0.34  molprobity  
 48   48  ?          64.7    -1.9  Favored  ?      3   4  0.25   5  0.42  molprobity  
 49   49  t        -137.3   136.9  Favored  ?      9   7  0.29  10  0.49  molprobity  
 50   50  t         -69.8   128.5  Favored  ?      5   6  0.16   9  0.34  molprobity  
 51   51  Cg_endo   -60.0   -27.1  Favored  ?      7   8  0.26  11  0.30  molprobity  
 52   52  p         -81.9   -14.6  Favored  ?      7   7  0.23  10  0.63  molprobity  
 53   53  tppt?     -92.8     2.0  Favored  ?     13   9  0.38  11  0.68  molprobity  
 54   54  mm?       -58.9   -38.7  Favored  ?     11   8  0.21  11  0.57  molprobity  
 55   55  m-80      -64.7   -19.7  Favored  ?      6   8  0.23  11  0.36  molprobity  
 56   56  m-20      -92.2    -2.3  Favored  ?      4   8  0.18  11  0.43  molprobity  
 57   57  mm?      -115.3   124.9  Favored  ?     11   8  0.23  11  0.47  molprobity  
 58   58  t        -105.2   155.9  Favored  ?      5   6  0.22   8  0.40  molprobity  
 59   59  m-85     -146.3   156.3  Favored  ?      9  12  0.37  16  0.40  molprobity  
 60   60  m         -67.4   -50.7  Favored  ?      7   7  0.17  10  0.50  molprobity  
 61   61  m-20     -139.4   148.6  Favored  ?      6   8  0.23  11  0.53  molprobity  
 62   62  t        -129.1   130.9  Favored  ?      9   7  0.41  10  0.48  molprobity  
 63   63  m-85     -115.0   131.3  Favored  ?      9  13  0.42  18  0.29  molprobity  
 64   64  ?        -116.5   124.0  Favored  ?      5   5  0.29   7  0.55  molprobity  
 65   65  m-20     -122.9   139.3  Favored  ?      4   8  0.35  11  0.34  molprobity  
 66   66  p        -142.5   153.8  Favored  ?      5   6  0.30   8  0.50  molprobity  
 67   67  p90      -166.8  -169.9  Allowed  ?      9  12  0.55  16  0.46  molprobity  
 68   68  t        -135.9   129.0  Favored  ?      9   7  0.38  10  0.41  molprobity  
 69   69  pt       -135.6   170.6  Favored  ?     11   8  0.21  11  0.55  molprobity  
 70   70  ttm105    -72.5   154.2  Favored  ?     13  11  0.17  14  0.45  molprobity  
 71   71  ?         -58.5   -56.8  Favored  ?      3   4  0.24   5  0.64  molprobity  
 72   72  p-10      -82.6    47.3  Allowed  ?      4   8  0.28  11  0.50  molprobity  
 73   73  mt-10    -142.0     3.4  Allowed  ?      6   9  0.30  12  0.37  molprobity  
 74   74  t         -66.4   -26.3  Favored  ?      9   7  0.31  10  0.35  molprobity  
 75   75  ptm180    -59.0   -26.8  Favored  ?     13  11  0.19  14  0.31  molprobity  
 76   76  mt-30     -69.3   -13.0  Favored  ?      8   9  0.25  12  0.39  molprobity  
 77   77  mm        -92.0    87.4  Favored  ?     11   8  0.32  11  0.97  molprobity  
 78   78  ?        -170.3   139.4  Allowed  ?      5   5  0.35   8  0.57  molprobity  
 79   79  Cg_endo   -65.6   113.2  Favored  ?      7   8  0.19  11  0.24  molprobity  
 80   80  ?          98.0    44.6  Favored  ?      3   4  0.30   5  0.30  molprobity  
 81   81  mm-40    -130.8   167.1  Favored  ?      8   9  0.25  12  0.45  molprobity  
 82   82  t        -121.9   165.4  Favored  ?      7   7  0.18  10  0.62  molprobity  
 83   83  ?         139.8   175.2  Favored  ?      3   4  0.27   5  0.56  molprobity  
 84   84  m-20      -61.7   -45.4  Favored  ?      6   8  0.20  11  0.32  molprobity  
 85   85  mp        -64.2   -52.3  Favored  ?     11   8  0.23  11  0.23  molprobity  
 86   86  ?         -66.6   -15.8  Favored  ?      5   5  0.27   7  0.44  molprobity  
 87   87  m-20      -94.9   -57.6  Favored  ?      4   8  0.13  11  0.26  molprobity  
 88   88  m-85     -111.3    -5.2  Favored  ?      9  13  0.43  18  0.56  molprobity  
 89   89  m-80     -115.2   -56.3  Favored  ?      6   8  0.21  11  0.44  molprobity  
 90   90  t80      -145.3   129.2  Favored  ?      9  13  0.46  18  0.30  molprobity  
 91   91  tttp     -115.6   148.2  Favored  ?     13   9  0.28  11  0.37  molprobity  
 92   92  mt       -124.8   113.6  Favored  ?     11   8  0.39  12  0.37  molprobity  
 93   93  Cg_endo   -64.1   147.9  Favored  ?      7   8  0.12  11  0.42  molprobity  
 94   94  m-20      -66.9   -24.3  Favored  ?      4   8  0.20  11  0.31  molprobity  
 95   95  p-10      -83.2    50.4  Allowed  ?      4   8  0.22  11  0.43  molprobity  
 96   96  t80       -85.6   140.4  Favored  ?      9  12  0.38  16  0.27  molprobity  
 97   97  t        -141.0    95.5  Favored  ?      7   7  0.28  10  0.70  molprobity  
 98   98  ?         173.6   173.5  Favored  ?      3   4  0.41   5  0.84  molprobity  
 99   99  m        -102.3   153.1  Favored  ?      4   6  0.24   8  0.41  molprobity  
100  100  t        -127.5   127.3  Favored  ?      9   7  0.42  10  0.47  molprobity  
101  101  mp       -121.3   148.2  Favored  ?     11   8  0.23  11  0.48  molprobity  
102  102  ?        -162.4   128.3  Favored  ?      5   5  0.26   7  0.49  molprobity  
103  103  p90      -138.5   152.0  Favored  ?     10  16  0.34  23  0.32  molprobity  
104  104  t-20      -71.3   127.2  Favored  ?      6   8  0.19  11  0.28  molprobity  
105  105  p        -120.4    46.1  Favored  ?      5   6  0.24   8  0.24  molprobity  
106  106  t30       -61.3   -41.4  Favored  ?      6   8  0.23  11  0.26  molprobity  
107  107  p-10      -80.1    13.7  Favored  ?      6   8  0.18  11  0.50  molprobity  
108  108  mm?      -126.6   -29.7  Favored  ?     11   8  0.18  11  0.57  molprobity  
109  109  m-20     -114.3   -41.6  Favored  ?      4   8  0.20  11  0.59  molprobity  
110  110  p         -71.3   147.1  Favored  ?      5   6  0.29   8  0.40  molprobity  
111  111  mtpp     -135.9   154.3  Favored  ?     13   9  0.18  11  0.37  molprobity  
112  112  t         -63.6   138.3  Favored  ?      9   7  0.47  10  0.46  molprobity  
113  113  ?          67.7    37.8  Favored  ?      3   4  0.34   5  0.51  molprobity  
114  114  ?          80.7   142.4  Favored  ?      3   4  0.33   5  0.40  molprobity  
115  115  t-20     -123.0   111.0  Favored  ?      6   8  0.19  11  0.52  molprobity  
116  116  m-85     -105.2    38.3  Allowed  ?      9  13  0.35  18  0.32  molprobity  
117  117  m-20     -108.3     1.9  Favored  ?      6   8  0.21  11  0.50  molprobity  
118  118  m-85     -123.6   131.5  Favored  ?      9  13  0.48  18  0.30  molprobity  
119  119  mt       -121.6   178.0  Favored  ?     11   8  0.14  11  0.42  molprobity  
120  120  p90      -168.3   142.4  Favored  ?      9  13  0.44  18  0.42  molprobity  
121  121  ttm-85    -74.3   153.9  Favored  ?     13  11  0.21  14  0.38  molprobity  
122  122  tp       -129.6   -25.0  Favored  ?     11   8  0.21  11  0.20  molprobity  
123  123  m-85     -132.2   134.5  Favored  ?      9  12  0.46  16  0.33  molprobity  
124  124  ttt85    -162.4   143.6  Favored  ?     13  11  0.15  14  0.56  molprobity  
125  125  mtmm      -61.4   -47.4  Favored  ?     13   9  0.26  11  0.25  molprobity  
126  126  m        -133.8   156.3  Favored  ?      5   6  0.26   8  0.46  molprobity  
127  127  m-20      -62.6   166.5  Favored  ?      6   8  0.22  11  0.44  molprobity  
128  128  mm?       -83.0   175.3  Favored  ?     11   8  0.27  11  0.75  molprobity  
129  129  mtmm     -109.4   158.3  Favored  ?     13   9  0.31  12  0.27  molprobity  
130  130  Cg_endo   -55.8   134.5  Favored  ?      7   8  0.21  11  0.46  molprobity  
131  131  m-30       54.8    45.1  Favored  ?      9  12  0.36  16  0.28  molprobity  
132  132  tp10     -130.4   141.1  Favored  ?      6   9  0.26  12  0.37  molprobity  
133  133  ptt180   -139.9   155.7  Favored  ?     13  11  0.17  14  0.45  molprobity  
134  134  p30      -134.8   153.0  Favored  ?      4   8  0.39  11  1.29  molprobity  
135  135  mm       -119.3   -18.3  Favored  ?     11   8  0.25  11  0.63  molprobity  
136  136  t         -59.2   144.0  Favored  ?      5   6  0.20   8  0.44  molprobity  
137  137  p        -119.3    45.0  Favored  ?      7   7  0.18  10  0.58  molprobity  
138  138  tp10      -73.5   145.6  Favored  ?      6   9  0.22  12  0.42  molprobity  
139  139  mm        -66.2   131.3  Favored  ?     11   8  0.30  11  0.37  molprobity  
140  140  t80       -68.6   152.4  Favored  ?      9  13  0.42  18  0.43  molprobity  
141  141  tp60     -116.3   127.2  Favored  ?      8   9  0.21  12  0.37  molprobity  
142  142  ?        -122.7     7.3  Favored  ?      5   5  0.36   7  0.68  molprobity  
143  143  ?        -151.6   179.7  Favored  ?      3   4  0.28   5  0.23  molprobity  
144  144  p         -74.8   -11.5  Favored  ?      5   6  0.21   8  0.41  molprobity  
145  145  p         -94.0   120.1  Favored  ?      7   7  0.31  11  0.61  molprobity  
146  146  Cg_exo    -83.7   140.3  Favored  ?      7   8  0.31  11  0.51  molprobity  
147  147  p        -108.0   -23.8  Favored  ?      4   6  0.28   8  0.62  molprobity  
148  148  m120       61.8    62.1  Allowed  ?      6   8  0.22  11  0.45  molprobity  
149  149  ?          79.6    28.4  Favored  ?      3   4  0.26   5  0.77  molprobity  
150  150  m        -123.7   134.3  Favored  ?      9   7  0.31  10  0.45  molprobity  
151  151  mtpt      -90.8    56.0  Favored  ?     13   9  0.24  11  0.48  molprobity  
152  152  ?         -86.4  -127.0  Favored  ?      3   4  0.34   5  0.22  molprobity  
153  153  t80       -90.1   143.6  Favored  ?      9  12  0.44  16  0.30  molprobity  
154  154  m-20       57.5    27.9  Favored  ?      6   8  0.18  11  0.27  molprobity  
155  155  m        -148.0    97.6  Favored  ?      4   6  0.35   8  0.67  molprobity  
156  156  m-85     -114.6   142.7  Favored  ?      9  13  0.43  18  0.29  molprobity  
157  157  t80       -70.9   125.6  Favored  ?      9  12  0.47  17  0.38  molprobity  
158  158  Cg_endo   -87.9    16.2  Allowed  ?      7   8  0.21  11  0.48  molprobity  
159  159  mt       -125.6   130.8  Favored  ?     11   8  0.17  11  0.36  molprobity  
160  160  mt-30    -127.6   158.2  Favored  ?      8   9  0.30  12  0.48  molprobity  
161  161  t         -99.5   148.3  Favored  ?      5   6  0.20   8  0.40  molprobity  
162  162  m-85      -72.3   -45.0  Favored  ?      9  13  0.60  18  0.32  molprobity  
163  163  ?          64.2    65.8  Favored  ?      3   4  0.29   5  0.14  molprobity  
164  164  m-85      -75.0   156.1  Favored  ?      9  12  0.51  16  0.34  molprobity  
165  165  tt0      -155.6   130.4  Favored  ?      8   9  0.29  13  0.45  molprobity  
166  166  Cg_endo   -72.9     5.6  Favored  ?      7   8  0.28  11  0.59  molprobity  
167  167  p        -114.9     7.0  Favored  ?      7   7  0.20  10  0.55  molprobity  
168  168  m-30      -70.6   169.8  Favored  ?      9  13  0.38  18  0.40  molprobity  
169  169  ?         -66.7   154.0  Favored  ?      3   4  0.31   5  0.57  molprobity  
170  170  t         -61.2   -25.0  Favored  ?      9   7  0.29  10  0.55  molprobity  
171  171  ?         -62.3   -39.7  Favored  ?      3   4  0.19   5  0.18  molprobity  
172  172  m-85      -90.9    -4.5  Favored  ?      9  13  0.35  18  0.38  molprobity  
173  173  mt-30     -65.6   145.0  Favored  ?      8   9  0.32  13  0.25  molprobity  
174  174  Cg_endo   -69.2   158.8  Favored  ?      7   8  0.24  11  0.45  molprobity  
175  175  m-85     -144.7   130.5  Favored  ?      9  13  0.59  18  0.32  molprobity  
176  176  mtt180    -87.4   147.0  Favored  ?     13  11  0.28  14  0.44  molprobity  
177  177  t        -134.0   136.8  Favored  ?      9   7  0.39  10  0.38  molprobity  
178  178  t        -128.2   128.4  Favored  ?      9   7  0.33  10  0.48  molprobity  
179  179  t        -119.1   128.6  Favored  ?      9   7  0.45  10  0.44  molprobity  
180  180  mt       -109.5   132.2  Favored  ?     11   8  0.21  11  0.34  molprobity  
181  181  p        -125.5   147.3  Favored  ?      5   6  0.28   8  0.45  molprobity  
182  182  m-85     -118.6  -173.8  Favored  ?      9  12  0.40  16  0.40  molprobity  
183  183  tm-20         ?       ?  ?        ?      6   8  0.21   9  0.37  molprobity  
184  184  pp20?         ?       ?  ?        ?      8   9  0.29  12  0.29  molprobity  
185  185  tp        -84.7  -165.6  Allowed  ?     11   8  0.26  11  1.11  molprobity  
186  186  pp0?      -43.2   140.2  Allowed  ?      8   9  0.20  12  0.71  molprobity  
187  187  mt       -112.6   145.6  Favored  ?     11   8  0.22  11  0.64  molprobity  
188  188  t        -129.8   139.2  Favored  ?      9   7  0.31  10  0.53  molprobity  
189  189  mt-30    -122.0   157.1  Favored  ?      8   9  0.25  12  0.42  molprobity  
190  190  p         -99.3   109.2  Favored  ?      5   6  0.28   8  0.17  molprobity  
191  191  ?         -56.5   108.5  Allowed  ?      3   4  0.17   5  0.40  molprobity  
192  192  ?         -87.0  -175.4  Favored  ?      5   5  0.35   7  0.55  molprobity  
193  193  tm-20    -156.1  -167.1  Favored  ?      6   9  0.32  12  0.90  molprobity  
194  194  p         -66.1   153.8  Favored  ?      9   7  0.28  10  0.53  molprobity  
195  195  pttt     -127.3   176.2  Favored  ?     13   9  0.33  11  0.44  molprobity  
196  196  mmpt?     -83.3   176.7  Favored  ?     13   9  0.33  12  0.46  molprobity  
197  197  Cg_exo    -51.3   157.0  Favored  ?      7   8  0.15  11  0.39  molprobity  
198  198  ?         -33.7   126.0  Allowed  ?      3   4  0.25   5  1.44  molprobity  
199  199  mp0      -138.3  -165.5  Allowed  ?      6   9  0.33  12  0.67  molprobity  
200  200  t        -103.0   140.8  Favored  ?      5   6  0.26   8  0.41  molprobity  
201  201  mp       -130.9   166.2  Favored  ?     11   8  0.22  11  0.74  molprobity  
202  202  mtpp     -135.4   123.3  Favored  ?     13   9  0.27  11  0.41  molprobity  
203  203  mm       -108.1   132.4  Favored  ?     11   8  0.37  11  0.53  molprobity  
204  204  p        -122.5   111.9  Favored  ?      5   6  0.17   8  0.23  molprobity  
205  205  t         -89.1  -174.2  Favored  ?      4   6  0.23   8  0.78  molprobity  
206  206  mmmt     -144.6  -179.4  Favored  ?     13   9  0.28  11  0.45  molprobity  
207  207  m-30     -125.3   175.7  Favored  ?      9  13  0.73  18  0.54  molprobity  
208  208  m        -123.2   -53.2  Allowed  ?      5   6  0.24   8  0.53  molprobity  
209  209  ?         159.2  -161.0  Favored  ?      3   4  0.29   5  1.13  molprobity  
210  210  p-10       31.9    49.9  Allowed  ?      6   8  0.52  11  0.60  molprobity  
211  211  pt        -82.5   156.8  Favored  ?     11   8  0.28  11  0.49  molprobity  
212  212  t         -89.0   162.0  Favored  ?      5   6  0.19   9  0.62  molprobity  
213  213  Cg_exo    -56.0   -57.9  Allowed  ?      7   8  0.16  11  0.37  molprobity  
214  214  m-20      -84.0   131.0  Favored  ?      6   8  0.21  11  0.53  molprobity  
215  215  t80      -142.0    21.8  Favored  ?      9  12  0.75  16  0.82  molprobity  
216  216  p-90      -60.6   147.9  Favored  ?     10  16  0.41  23  0.38  molprobity  
217  217  tt       -132.6   129.9  Favored  ?     11   8  0.35  11  0.36  molprobity  
218  218  ?        -110.9   175.2  Favored  ?      3   4  0.46   5  0.54  molprobity  
219  219  m95      -135.2   127.9  Favored  ?     10  16  0.44  23  0.26  molprobity  
220  220  t        -126.9   143.6  Favored  ?      9   7  0.46  10  0.37  molprobity  
221  221  ptt180   -128.2   153.0  Favored  ?     13  11  0.39  14  0.52  molprobity  
222  222  tt0      -134.1   114.2  Favored  ?      8   9  0.32  12  0.31  molprobity  
223  223  mmt       -58.4   169.3  Allowed  ?      9   8  0.26  10  0.77  molprobity  
224  224  ?         -65.5   107.7  Allowed  ?      5   5  0.28   7  0.38  molprobity  
225  225  ?          61.7    46.5  Favored  ?      3   4  0.27   5  0.20  molprobity  
226  226  mtpp     -142.0   179.5  Favored  ?     13   9  0.33  11  0.55  molprobity  
227  227  ?         -74.8   175.4  Favored  ?      3   4  0.44   5  0.74  molprobity  
228  228  mt        -96.3   145.8  Favored  ?     11   8  0.23  11  0.37  molprobity  
229  229  mp0      -129.2   131.0  Favored  ?      6   9  0.30  12  0.34  molprobity  
230  230  t-105     -81.8   153.2  Favored  ?     10  16  0.58  23  0.26  molprobity  
231  231  mtt      -114.9   -58.7  Favored  ?      9   8  0.43  10  0.66  molprobity  
232  232  ?         169.9   166.3  Favored  ?      3   4  0.42   5  0.89  molprobity  
233  233  pt       -127.9   159.2  Favored  ?     11   8  0.39  11  0.69  molprobity  
234  234  tt       -137.8   135.8  Favored  ?     11   8  0.28  11  0.34  molprobity  
235  235  m-85      -96.3   107.1  Favored  ?      9  13  0.58  19  0.41  molprobity  
236  236  Cg_exo    -55.5   -40.5  Favored  ?      7   8  0.35  11  0.40  molprobity  
237  237  p-10      -83.6   122.0  Favored  ?      4   8  0.19  11  0.50  molprobity  
238  238  m-20       57.6    66.3  Allowed  ?      4   8  0.14  11  0.67  molprobity  
239  239  p         -55.9   134.0  Favored  ?      5   6  0.16   8  0.41  molprobity  
240  240  m-20     -114.7   -40.4  Favored  ?      4   8  0.15  11  0.49  molprobity  
241  241  m          56.1    57.6  Favored  ?      5   6  0.19   8  0.44  molprobity  
242  242  mtt-85    -75.2   132.8  Favored  ?     13  11  0.27  14  0.31  molprobity  
243  243  m-85     -113.6   141.1  Favored  ?      9  13  0.51  18  0.41  molprobity  
244  244  p         -70.8   152.1  Favored  ?      5   6  0.29   9  0.32  molprobity  
245  245  Cg_exo    -68.6    65.4  Allowed  ?      7   8  0.24  11  0.29  molprobity  
246  246  p        -142.2    21.8  Favored  ?      5   6  0.16   8  0.60  molprobity  
247  247  p90       -83.9    84.5  Favored  ?      9  12  0.31  16  0.42  molprobity  
248  248  pp0?     -120.1   -44.9  Favored  ?      8   9  0.25  12  0.62  molprobity  
249  249  ?        -114.1    43.8  Allowed  ?      3   4  0.36   5  0.76  molprobity  
250  250  mt-30    -135.8    91.2  Favored  ?      8   9  0.32  12  0.50  molprobity  
251  251  t        -118.1    92.0  Favored  ?      9   7  0.35  10  0.61  molprobity  
252  252  mt        -90.5   107.2  Favored  ?     11   8  0.33  11  0.45  molprobity  
253  253  pt       -133.8   128.6  Favored  ?     11   8  0.17  11  0.39  molprobity  
254  254  t         -65.5   -45.8  Favored  ?      5   6  0.23   8  0.62  molprobity  
255  255  ?          64.7    -1.7  Allowed  ?      5   5  0.41   7  0.60  molprobity  
256  256  p-10     -173.3   149.1  Allowed  ?      4   8  0.18  11  0.54  molprobity  
257  257  mmtp     -102.6     3.8  Favored  ?     13   9  0.21  11  0.35  molprobity  
258  258  p         -62.5   -52.7  Favored  ?      5   6  0.19   8  0.30  molprobity  
259  259  pt       -108.0    12.9  Favored  ?     11   8  0.26  11  0.31  molprobity  
260  260  p          56.8    59.5  Favored  ?      7   7  0.19  10  0.63  molprobity  
261  261  p        -123.1   168.5  Favored  ?      7   7  0.22  10  0.66  molprobity  
262  262  ?        -135.1    51.1  Favored  ?      5   5  0.16   7  0.49  molprobity  
263  263  mm?       -46.6   143.2  Favored  ?     11   8  0.18  11  0.75  molprobity  
264  264  tp       -113.8   129.6  Favored  ?     11   8  0.24  11  0.58  molprobity  
265  265  t60      -134.9   141.8  Favored  ?      7  11  0.16  15  0.27  molprobity  
266  266  p90      -153.7   167.8  Favored  ?     10  16  0.31  23  0.42  molprobity  
267  267  m        -129.5   126.6  Favored  ?      5   6  0.25   8  0.41  molprobity  
268  268  t          59.2    63.9  Allowed  ?      5   6  0.24   8  0.43  molprobity  
269  269  mt       -112.7   135.1  Favored  ?     11   8  0.21  11  0.44  molprobity  
270  270  mppt?    -108.6   -62.2  Allowed  ?     13   9  0.16  11  0.85  molprobity  
271  271  t        -130.5   -27.4  Allowed  ?      9   7  0.20  10  0.41  molprobity  
272  272  p         -76.0   -37.9  Favored  ?      5   6  0.25   8  0.28  molprobity  
273  273  p-10      -94.2    56.5  Favored  ?      4   8  0.22  11  0.54  molprobity  
274  274  m         -95.3   101.4  Favored  ?      7   7  0.22  10  0.71  molprobity  
275  275  ?        -151.2  -161.2  Allowed  ?      5   5  0.39   7  0.77  molprobity  
276  276  ttmm     -137.1   125.2  Favored  ?     13   9  0.28  11  0.52  molprobity  
277  277  m-85     -113.0   124.6  Favored  ?      9  13  0.73  18  0.35  molprobity  
278  278  m-85     -105.9   144.9  Favored  ?      9  13  0.78  18  0.41  molprobity  
279  279  p        -108.3   131.6  Favored  ?      4   6  0.18   8  0.80  molprobity  
280  280  p        -118.4   139.0  Favored  ?      9   7  0.60  10  0.55  molprobity  
281  281  t80       -86.2   178.4  Favored  ?      9  13  0.64  18  0.50  molprobity  
282  282  ?        -174.6   178.5  Favored  ?      3   4  0.28   5  0.76  molprobity  
283  283  m        -162.1  -170.9  Favored  ?      5   6  0.25   8  0.50  molprobity  
284  284  ?         -82.8  -176.5  Favored  ?      3   4  0.36   5  0.58  molprobity  
285  285  m          55.0    82.7  Allowed  ?      5   6  0.20   9  0.37  molprobity  
286  286  Cg_exo    -62.7    62.8  Allowed  ?      7   8  0.42  11  0.84  molprobity  
287  287  p        -130.0   166.6  Favored  ?      5   6  0.39   8  0.86  molprobity  
288  288  p30        47.4    27.1  Allowed  ?      6   8  0.56  11  0.52  molprobity  
289  289  m0        -65.2   -64.4  Allowed  ?     10  16  0.53  23  0.38  molprobity  
290  290  m-85      -85.3    23.6  Allowed  ?      9  12  0.36  16  0.37  molprobity  
291  291  t-80      -68.7   -63.8  Favored  ?      7  11  0.28  16  0.59  molprobity  
292  292  Cg_exo    -79.7   106.6  Favored  ?      7   8  0.40  11  0.77  molprobity  
293  293  t90      -112.9    46.0  Allowed  ?     10  16  0.41  23  0.66  molprobity  
294  294  ?          75.4   177.8  Favored  ?      3   4  0.38   5  0.78  molprobity  
295  295  pp0?     -115.0   -59.0  Favored  ?      8   9  0.25  12  0.77  molprobity  
296  296  ?        -172.3   126.8  Allowed  ?      3   4  0.57   5  2.15  molprobity  
297  297  p        -126.0  -166.8  Allowed  ?      7   7  0.30  10  0.83  molprobity  
298  298  mt        -93.7   108.8  Favored  ?     11   8  0.33  11  1.65  molprobity  
299  299  p         -80.0    90.5  Allowed  ?      9   7  0.25  10  0.67  molprobity  
300  300  m         -77.1   124.4  Favored  ?      7   7  0.21  10  0.56  molprobity  
301  301  t        -111.9   125.9  Favored  ?      9   7  0.29  10  0.48  molprobity  
302  302  p         -99.0   -52.0  Favored  ?      5   6  0.26   8  0.37  molprobity  
303  303  t             ?       ?  ?        ?      5   5  0.13   5  0.16  molprobity  
304  304  tm-20         ?       ?  ?        ?      8   9  0.25  12  0.34  molprobity  
305  305  m        -119.0   128.8  Favored  ?      9   7  0.65  10  0.51  molprobity  
306  306  m         -86.0   127.7  Favored  ?      9   7  0.27  10  0.45  molprobity  
307  307  mmm      -100.2    77.6  Allowed  ?      9   8  0.29  10  0.62  molprobity  
308  308  m         -67.7   145.6  Favored  ?      7   7  0.17  10  0.51  molprobity  
309  309  tt0      -133.7   129.6  Favored  ?      8   9  0.38  12  0.33  molprobity  
310  310  p        -134.0   144.9  Favored  Y      5   6  0.34   9  0.36  molprobity  
311  311  Cg_endo   -81.5   168.9  Favored  ?      7   8  0.18  11  0.29  molprobity  
312  312  ?         -62.9   -41.6  Favored  ?      5   5  0.27   7  0.28  molprobity  
313  313  t        -133.1   155.7  Favored  ?      7   7  0.20  10  0.65  molprobity  
314  314  tp       -139.5    89.8  Favored  ?     11   8  0.24  11  0.67  molprobity  
315  315  p         -77.5   115.8  Favored  ?      5   6  0.21   8  0.29  molprobity  
316  316  t        -130.8   154.4  Favored  ?      9   7  0.31  10  1.23  molprobity  
317  317  t         -83.0   150.9  Favored  ?      5   6  0.24   9  0.36  molprobity  
318  318  Cg_endo   -68.4   152.0  Favored  ?      7   8  0.26  11  0.59  molprobity  
319  319  ?          80.8   -45.5  Favored  ?      3   4  0.33   5  0.55  molprobity  
320  320  tt0       -65.9   143.9  Favored  ?      6   9  0.22  12  0.38  molprobity  
321  321  ttp85     -62.2   144.1  Favored  ?     13  11  0.31  14  0.83  molprobity  
322  322  ?        -135.5   147.2  Favored  ?      5   5  0.30   7  0.61  molprobity  
323  323  t        -124.9   152.9  Favored  ?      7   7  0.18  10  0.64  molprobity  
324  324  mm?      -131.2   150.7  Favored  ?     11   8  0.20  11  0.95  molprobity  
325  325  m        -138.7   135.0  Favored  ?      5   6  0.23   8  0.33  molprobity  
326  326  t        -128.2   145.4  Favored  ?      4   6  0.21   8  0.51  molprobity  
327  327  mmm180   -126.8   140.2  Favored  ?     13  11  0.19  14  0.41  molprobity  
328  328  ?        -123.6   155.0  Favored  ?      5   5  0.31   7  0.57  molprobity  
329  329  p         -75.0   -41.5  Favored  ?      5   6  0.24   8  0.31  molprobity  
330  330  pm0      -148.9  -162.3  Allowed  ?      8   9  0.23  12  0.56  molprobity  
331  331  t         -64.2   115.2  Favored  ?      5   6  0.17   8  0.56  molprobity  
332  332  m        -122.6    36.7  Allowed  ?      9   7  0.32  10  0.86  molprobity  
333  333  OUTLIER   -35.9   -41.2  Allowed  ?     13  11  0.11  14  0.87  molprobity  
334  334  m-85     -141.2    14.0  Favored  ?      9  13  0.38  18  0.42  molprobity  
335  335  m120     -108.8   118.0  Favored  ?      6   8  0.27  11  0.41  molprobity  
336  336  tp       -162.7  -178.4  Favored  ?     11   8  0.24  11  0.72  molprobity  
337  337  ?        -166.8   166.8  Favored  ?      5   5  0.32   7  0.82  molprobity  
338  338  m95      -144.6   118.9  Favored  ?     10  16  0.40  23  0.28  molprobity  
339  339  m-85     -103.1   172.5  Favored  ?      9  13  1.08  18  0.36  molprobity  
340  340  tt0      -149.3   125.4  Favored  ?      8   9  0.34  12  0.43  molprobity  
341  341  tt0      -125.8    91.5  Favored  ?      8   9  0.43  12  0.38  molprobity  
342  342  mmtp      -61.7   132.2  Favored  ?     13   9  0.33  12  0.42  molprobity  
343  343  Cg_exo    -56.2   136.0  Favored  ?      7   8  0.14  11  0.21  molprobity  
344  344  ?          91.0    17.5  Favored  ?      3   4  0.43   5  0.83  molprobity  
345  345  pp0?     -165.0   174.7  Favored  ?      8   9  0.20  12  0.69  molprobity  
346  346  ?         -86.4   146.3  Favored  ?      5   5  0.18   8  0.35  molprobity  
347  347  Cg_endo   -62.2   148.1  Favored  ?      7   8  0.44  11  0.54  molprobity  
348  348  ttp85    -118.1   124.2  Favored  ?     13  11  0.28  14  0.34  molprobity  
349  349  tp        -59.9   140.1  Favored  ?     11   8  0.21  11  0.52  molprobity  
350  350  mt       -112.8   -57.9  Favored  ?     11   8  0.18  11  0.41  molprobity  
351  351  pt       -128.2   179.2  Favored  ?     11   8  0.40  11  0.66  molprobity  
352  352  p90      -164.7   171.1  Favored  ?      9  13  0.55  18  0.56  molprobity  
353  353  t0         58.0     9.5  Allowed  ?      4   8  0.17  11  0.65  molprobity  
354  354  ?          73.0    -9.8  Allowed  ?      5   5  0.35   7  0.76  molprobity  
355  355  p        -131.4   -39.8  Allowed  ?      5   6  0.27   8  0.54  molprobity  
356  356  t         -83.3   132.0  Favored  ?      7   7  0.23  10  0.39  molprobity  
357  357  mtp180    -76.2   157.3  Favored  ?     13  11  0.28  14  0.43  molprobity  
358  358  ?         -80.2  -168.5  Allowed  ?      5   5  0.25   7  0.68  molprobity  
359  359  p         -98.9   146.6  Favored  ?      7   7  0.20  10  0.61  molprobity  
360  360  ?          68.8    26.1  Favored  ?      3   4  0.37   5  0.59  molprobity  
361  361  pt       -114.1   154.9  Favored  ?     11   8  0.31  12  0.42  molprobity  
362  362  Cg_exo    -64.6   152.4  Favored  ?      7   8  0.17  11  0.25  molprobity  
363  363  ?         -77.1     2.8  Favored  ?      3   4  0.37   5  0.47  molprobity  
364  364  ptp85     -76.4   -21.1  Favored  ?     13  11  0.22  14  0.38  molprobity  
365  365  m-85      -85.3   145.9  Favored  ?      9  12  0.41  16  0.29  molprobity  
366  366  p        -154.0   128.7  Favored  ?      5   6  0.22   8  0.36  molprobity  
367  367  ?         -74.0   167.5  Favored  ?      3   4  0.40   5  0.60  molprobity  
368  368  m        -160.5   167.8  Favored  ?      5   6  0.24   8  0.53  molprobity  
369  369  ?          76.3   178.1  Favored  ?      3   4  0.31   5  0.98  molprobity  
370  370  t        -174.1   173.1  Favored  ?      5   6  0.18   8  0.78  molprobity  
371  371  ?          67.0  -113.5  Favored  ?      3   4  0.25   5  0.12  molprobity  
372  372  p        -112.3     6.5  Favored  ?      7   7  0.21  10  0.65  molprobity  
373  373  tp10     -131.8   134.4  Favored  ?      6   9  0.27  12  0.38  molprobity  
374  374  m-85     -138.9   176.2  Favored  ?      9  12  0.43  16  0.37  molprobity  
375  375  m        -167.2   140.9  Favored  ?      7   7  0.25  10  0.53  molprobity  
376  376  tt       -122.0   141.4  Favored  ?     11   8  0.26  11  0.70  molprobity  
377  377  p        -128.3   132.0  Favored  ?      7   7  0.23  10  0.58  molprobity  
378  378  mt       -117.1   128.6  Favored  ?     11   8  0.32  11  0.57  molprobity  
379  379  p         -97.5   -32.2  Favored  ?      5   6  0.24   8  0.57  molprobity  
380  380  t        -131.6    94.2  Favored  ?      5   6  0.23   8  0.44  molprobity  
381  381  mp        -70.1   104.4  Favored  ?     11   8  0.28  11  0.46  molprobity  
382  382  mt-30     -90.2  -169.3  Favored  ?      8   9  0.29  12  0.48  molprobity  
383  383  t         -76.9    -4.8  Favored  ?      5   6  0.20   8  0.37  molprobity  
384  384  mp0      -124.4    40.9  Favored  ?      6   9  0.24  12  0.25  molprobity  
385  385  m-20     -129.8   -11.9  Favored  ?      4   8  0.21  11  0.58  molprobity  
386  386  m-85      -74.9   109.7  Favored  ?      9  12  0.37  16  0.23  molprobity  
387  387  ?        -155.0  -163.1  Allowed  ?      5   5  0.28   7  0.88  molprobity  
388  388  t        -116.1   130.6  Favored  ?      9   7  0.38  10  0.44  molprobity  
389  389  m-85     -116.9   126.6  Favored  ?      9  13  0.62  18  0.24  molprobity  
390  390  m-85     -115.9   143.3  Favored  ?      9  13  0.61  18  0.38  molprobity  
391  391  p        -110.3   134.6  Favored  ?      4   6  0.30   8  0.46  molprobity  
392  392  tt0      -134.3   134.4  Favored  ?      8   9  0.48  12  0.36  molprobity  
393  393  pt20      -82.1   168.1  Favored  ?      8   9  0.44  12  0.89  molprobity  
394  394  p90      -143.2    32.8  Allowed  ?      9  13  0.54  18  0.63  molprobity  
395  395  p-10     -122.0   169.8  Favored  ?      4   8  0.21  11  0.38  molprobity  
396  396  t-20       58.0    67.7  Allowed  ?      6   8  0.23  11  0.81  molprobity  
397  397  t-105     -43.4   -65.5  Allowed  ?     10  16  0.38  24  0.59  molprobity  
398  398  Cg_exo    -44.7   -53.1  Favored  ?      7   8  0.42  12  0.66  molprobity  
399  399  Cg_endo   -95.7    75.7  Allowed  ?      7   8  0.28  11  0.94  molprobity  
400  400  m0        -62.7   125.7  Favored  ?     10  16  0.41  23  0.22  molprobity  
401  401  p        -126.2   150.0  Favored  ?      7   7  0.24  10  0.73  molprobity  
402  402  m-85     -100.2  -172.5  Favored  ?      9  12  0.51  16  0.34  molprobity  
403  403  ?        -103.8  -135.3  Favored  ?      3   4  0.46   5  0.62  molprobity  
404  404  mm100    -128.2   -37.3  Allowed  ?      8   9  0.27  12  0.64  molprobity  
405  405  ?         112.6   151.1  Favored  ?      3   4  0.37   5  0.59  molprobity  
406  406  p        -136.0   102.9  Favored  ?      7   7  0.22  10  0.56  molprobity  
407  407  tmtt?     -73.1    96.9  Favored  ?     13   9  0.26  11  0.68  molprobity  
408  408  t         -75.9   131.9  Favored  ?      9   7  0.49  10  0.36  molprobity  
409  409  pm0      -134.7  -169.4  Favored  ?      6   9  0.24  12  0.49  molprobity  
410  410  pt       -120.8  -178.1  Allowed  ?     11   8  0.29  11  0.45  molprobity  
411  411  tptp          ?       ?  ?        ?     13   8  0.20   8  0.27  molprobity  
412  412  tm-20         ?       ?  ?        ?      8   9  0.25  12  0.37  molprobity  
413  413  p         -65.9   146.6  Favored  ?      9   7  0.32  10  0.46  molprobity  
414  414  pm0      -134.3   156.8  Favored  ?      8   9  0.24  12  0.52  molprobity  
415  415  mt       -132.2   139.0  Favored  ?     11   8  0.21  11  0.40  molprobity  
416  416  m        -128.3   142.4  Favored  ?      9   7  0.26  10  0.40  molprobity  
417  417  pm0      -127.5   156.3  Favored  ?      6   9  0.27  12  0.44  molprobity  
418  418  p        -158.8   163.3  Favored  ?      5   6  0.20   8  0.44  molprobity  
419  419  ?         121.0    -1.4  Favored  ?      3   4  0.26   5  1.18  molprobity  
420  420  ?         -72.5   146.4  Favored  ?      3   4  0.35   5  0.47  molprobity  
421  421  ?        -153.4   172.3  Favored  ?      3   4  0.28   5  0.70  molprobity  
422  422  t80       -92.5    56.2  Favored  ?      9  12  0.30  16  0.64  molprobity  
423  423  m         -72.8   168.1  Favored  ?      9   7  0.32  10  1.49  molprobity  
424  424  tppt?    -108.5   142.9  Favored  ?     13   9  0.24  12  0.42  molprobity  
425  425  Cg_endo   -66.3  -179.0  Allowed  ?      7   8  0.22  11  0.32  molprobity  
426  426  ?          67.0    44.3  Favored  ?      3   4  0.24   5  0.54  molprobity  
427  427  ?        -156.6  -139.6  Favored  ?      3   4  0.27   5  0.11  molprobity  
428  428  m        -154.6   162.3  Favored  ?      5   6  0.26   8  0.54  molprobity  
429  429  tp       -147.1   153.0  Favored  ?     11   8  0.24  11  1.16  molprobity  
430  430  ttt85    -121.6   123.0  Favored  ?     13  11  0.25  14  0.40  molprobity  
431  431  mt       -111.7   151.3  Favored  ?     11   8  0.21  11  0.38  molprobity  
432  432  t        -131.6   162.0  Favored  ?      5   6  0.29   8  0.49  molprobity  
433  433  t        -153.0   128.4  Favored  ?      4   6  0.26   8  0.55  molprobity  
434  434  ?        -114.5   124.0  Favored  ?      5   5  0.26   7  0.39  molprobity  
435  435  ?         -77.2   161.5  Favored  ?      5   5  0.25   7  0.45  molprobity  
436  436  p        -116.9   -55.6  Favored  ?      5   6  0.32   8  0.68  molprobity  
437  437  ?        -132.0    14.7  Favored  ?      3   4  0.26   5  0.49  molprobity  
438  438  m-30      -69.3   178.9  Favored  ?      9  12  0.40  16  0.71  molprobity  
439  439  tppp?     -95.6    70.2  Favored  ?     13   9  0.23  11  0.97  molprobity  
440  440  t80       -62.5   -20.5  Favored  ?      9  12  0.33  16  0.31  molprobity  
441  441  p         -57.8   -33.5  Favored  ?      5   6  0.18   8  0.27  molprobity  
442  442  p-10     -129.6    83.3  Favored  ?      4   8  0.25  11  0.75  molprobity  
443  443  ?        -159.3   162.2  Favored  ?      5   5  0.35   7  0.78  molprobity  
444  444  m0       -110.9   127.6  Favored  ?     10  16  0.29  23  0.23  molprobity  
445  445  mmm      -121.8   157.8  Favored  ?      9   8  0.34  10  0.40  molprobity  
446  446  m-20     -136.2   156.3  Favored  ?      6   8  0.30  11  0.43  molprobity  
447  447  m95      -118.9   140.4  Favored  ?     10  16  0.37  23  0.29  molprobity  
448  448  t        -134.9   130.3  Favored  ?      9   7  0.45  10  0.47  molprobity  
449  449  ptm180   -115.8   117.1  Favored  ?     13  11  0.28  14  0.44  molprobity  
450  450  tt0       -97.9   108.8  Favored  ?      8   9  0.29  12  0.32  molprobity  
451  451  ?         -67.4   159.0  Favored  ?      5   5  0.31   8  0.31  molprobity  
452  452  Cg_exo    -61.0   118.7  Favored  ?      7   8  0.19  11  0.25  molprobity  
453  453  ?          69.4    20.0  Favored  ?      3   4  0.36   5  0.57  molprobity  
454  454  mmtm     -124.7   173.0  Favored  ?     13   9  0.20  11  0.47  molprobity  
455  455  ?         -73.8   174.5  Favored  ?      3   4  0.41   5  0.73  molprobity  
456  456  mt        -76.5   168.9  Favored  ?     11   8  0.29  11  0.62  molprobity  
457  457  tt0      -160.5   114.5  Favored  ?      6   9  0.35  12  0.40  molprobity  
458  458  t90       -63.3   144.4  Favored  ?     10  16  0.54  23  0.30  molprobity  
459  459  p        -133.2    -3.6  Allowed  ?      9   7  0.67  10  1.09  molprobity  
460  460  ?         161.1   156.2  Favored  ?      3   4  0.29   5  0.79  molprobity  
461  461  ttp180   -135.7   146.6  Favored  ?     13  11  0.15  14  0.41  molprobity  
462  462  tt       -129.4   134.4  Favored  ?     11   8  0.28  11  0.37  molprobity  
463  463  mmtp      -78.8  -167.9  Allowed  ?     13   9  0.27  11  0.45  molprobity  
464  464  p         -98.7     1.1  Favored  ?      5   6  0.21   8  0.69  molprobity  
465  465  OUTLIER    71.7   -12.1  Allowed  ?     13   9  0.34  11  1.00  molprobity  
466  466  ?         -96.0    -4.9  Favored  ?      5   5  0.37   7  0.42  molprobity  
467  467  t0       -136.0    39.3  Favored  ?      4   8  0.23  11  0.59  molprobity  
468  468  ?         116.4   -39.4  Favored  ?      3   4  0.27   5  0.56  molprobity  
469  469  tt0        55.2    58.4  Favored  ?      8   9  0.23  12  0.49  molprobity  
470  470  p        -103.9   161.3  Favored  ?      7   7  0.25  10  0.69  molprobity  
471  471  p        -124.2   133.6  Favored  ?      7   7  0.21  10  0.65  molprobity  
472  472  m-20     -123.5   103.4  Favored  ?      4   8  0.27  11  0.55  molprobity  
473  473  m-85      -92.6  -175.4  Favored  ?      9  13  0.52  18  0.44  molprobity  
474  474  ?         -96.4   172.3  Favored  ?      5   5  0.28   7  0.54  molprobity  
475  475  ?         -62.9   -49.1  Favored  ?      5   5  0.50   8  0.84  molprobity  
476  476  Cg_endo   -87.7    15.9  Favored  ?      7   8  0.20  11  0.26  molprobity  
477  477  t        -118.6   -24.9  Favored  ?      9   7  0.30  10  0.64  molprobity  
478  478  mmmt      -40.5   -39.6  Allowed  ?     13   9  0.25  11  0.59  molprobity  
479  479  ?         -65.3   -34.1  Favored  ?      3   4  0.16   5  0.23  molprobity  
480  480  mtm105   -128.8  -168.7  Allowed  ?     13  11  0.16  14  0.35  molprobity  
481  481  m-85       61.9    65.4  Allowed  ?      9  12  0.33  16  0.34  molprobity  
482  482  t         -73.3   141.9  Favored  ?      5   6  0.17   8  0.36  molprobity  
483  483  mt       -120.1   139.4  Favored  ?     11   8  0.27  11  0.46  molprobity  
484  484  p        -147.9   157.0  Favored  ?      5   6  0.28   8  0.59  molprobity  
485  485  ttm180   -118.5   137.6  Favored  ?     13  11  0.28  14  0.53  molprobity  
486  486  t0       -120.0   103.3  Favored  ?      4   8  0.28  11  0.45  molprobity  
487  487  m-20      -77.5  -173.9  Favored  ?      4   8  0.20  11  0.62  molprobity  
488  488  p          70.5    -8.1  Allowed  ?      5   6  0.29   8  0.23  molprobity  
489  489  ptpp?    -140.5     4.3  Allowed  ?     13   9  0.23  11  0.49  molprobity  
490  490  m-20       57.7    65.2  Allowed  ?      6   8  0.18  11  0.47  molprobity  
491  491  m        -137.6   136.7  Favored  ?      7   7  0.22  10  0.59  molprobity  
492  492  tp       -107.6   153.6  Favored  ?     11   8  0.20  11  0.67  molprobity  
493  493  m-85     -137.3   123.5  Favored  ?      9  12  0.40  16  0.25  molprobity  
494  494  tp       -110.1   122.8  Favored  ?     11   8  0.28  11  0.42  molprobity  
495  495  tp-100   -106.9   107.3  Favored  ?      8   9  0.27  12  0.38  molprobity  
496  496  mt        -81.1   105.2  Favored  ?     11   8  0.30  11  0.56  molprobity  
497  497  t60       -71.0   -32.1  Favored  ?      7  11  0.19  15  0.23  molprobity  
498  498  t-20     -156.3   135.3  Favored  ?      6   8  0.23  11  0.34  molprobity  
499  499  mp       -104.2   133.8  Favored  ?     11   8  0.18  11  0.80  molprobity  
500  500  mp0      -112.9   -72.5  Allowed  ?      6   9  0.25  12  0.47  molprobity  
501  501  t        -142.8   -38.7  Allowed  ?      5   6  0.18   8  0.35  molprobity  
502  502  p30       -92.8     3.6  Favored  ?      4   8  0.25  11  0.83  molprobity  
503  503  m-20      -69.0    -9.0  Favored  ?      4   8  0.22  11  0.27  molprobity  
504  504  m         -64.1   104.6  Allowed  ?      7   7  0.26  10  0.62  molprobity  
505  505  ?        -164.1  -167.3  Allowed  ?      5   5  0.38   7  0.73  molprobity  
506  506  t        -113.5   153.9  Favored  ?      9   7  0.39  10  0.59  molprobity  
507  507  m-85     -131.3   140.9  Favored  ?      9  13  0.52  18  0.33  molprobity  
508  508  m-30     -124.0   157.8  Favored  ?      9  13  0.78  18  0.51  molprobity  
509  509  p        -127.2   116.9  Favored  ?      4   6  0.16   8  0.73  molprobity  
510  510  p        -133.5   158.6  Favored  ?      7   7  0.18  10  0.63  molprobity  
511  511  t        -140.0   173.5  Favored  ?      7   7  0.26  10  0.97  molprobity  
512  512  ?        -139.4  -125.8  Favored  ?      3   4  0.28   5  1.08  molprobity  
513  513  ?         -63.5   146.6  Favored  ?      5   5  0.22   7  0.48  molprobity  
514  514  tt       -102.3   128.0  Favored  ?     11   8  0.23  11  0.69  molprobity  
515  515  t        -131.4   133.7  Favored  ?      9   7  0.31  10  0.40  molprobity  
516  516  pp20?    -137.1   155.9  Favored  ?      6   9  0.20  12  0.45  molprobity  
517  517  t        -113.3   -64.5  Allowed  ?      5   6  0.47   8  0.87  molprobity  
518  518  ttm105   -136.1   -37.8  Allowed  ?     13  11  0.15  14  0.34  molprobity  
519  519  m-85     -115.1   -41.1  Favored  ?      9  13  0.36  18  0.39  molprobity  
520  520  t80      -119.6   142.3  Favored  ?      9  12  0.46  16  0.32  molprobity  
521  521  p-10     -138.7   155.4  Favored  ?      4   8  0.20  11  0.65  molprobity  
522  522  p90      -167.6   145.5  Favored  ?     10  16  0.19  23  0.28  molprobity  
523  523  m-85      -69.2   106.3  Favored  ?      9  12  0.49  16  0.32  molprobity  
524  524  t         -73.8   -25.0  Favored  ?      7   7  0.17  10  0.62  molprobity  
525  525  ?          65.7    68.1  Allowed  ?      3   4  0.34   5  0.24  molprobity  
526  526  m-85     -119.6   -37.5  Favored  ?      9  13  0.62  18  0.44  molprobity  
527  527  p90      -120.4   131.8  Favored  ?      9  13  0.84  18  0.53  molprobity  
528  528  m-85      -87.1   119.5  Favored  ?      9  12  0.64  16  0.39  molprobity  
529  529  m-20      -96.6   -54.6  Favored  ?      4   8  0.18  11  0.38  molprobity  
530  530  m-85     -103.2   132.8  Favored  ?      9  13  0.37  18  0.25  molprobity  
531  531  m95      -126.8   152.4  Favored  ?     10  16  0.35  23  0.32  molprobity  
532  532  ?         -81.8  -178.7  Favored  ?      3   4  0.37   5  0.76  molprobity  
533  533  pm0       -69.0   -30.8  Favored  ?      8   9  0.22  12  0.40  molprobity  
534  534  ?          91.5   115.7  Favored  ?      3   4  0.40   5  0.12  molprobity  
535  535  t         -96.7   146.4  Favored  ?      7   7  0.22  10  0.51  molprobity  
536  536  tt       -104.5   127.0  Favored  ?     11   8  0.25  11  0.87  molprobity  
537  537  t        -110.5   145.7  Favored  ?      9   7  0.37  10  0.42  molprobity  
538  538  p        -132.7   152.9  Favored  ?      7   7  0.19  10  0.68  molprobity  
539  539  t        -128.1   122.5  Favored  ?      9   7  0.32  10  0.49  molprobity  
540  540  p             ?       ?  ?        ?      5   5  0.17   5  0.16  molprobity  
541  541  m-20          ?       ?  ?        ?      6   8  0.16  11  0.28  molprobity  
542  542  mt        -88.0   100.7  Favored  ?     11   8  0.26  11  0.55  molprobity  
543  543  tm0?      -66.7   141.5  Favored  ?      8   9  0.29  12  0.40  molprobity  
544  544  OUTLIER  -131.6   148.5  Favored  ?      9   8  0.30  10  0.44  molprobity  
545  545  t        -120.1   146.2  Favored  ?      7   7  0.28  10  0.61  molprobity  
546  546  tt0      -122.5    96.6  Favored  ?      8   9  0.36  12  0.61  molprobity  
547  547  t        -129.2   148.2  Favored  Y      5   6  0.46   9  0.48  molprobity  
548  548  Cg_endo   -82.9  -160.8  Favored  ?      7   8  0.21  11  0.24  molprobity  
549  549  m        -115.4   -31.0  Favored  ?      5   6  0.23   8  0.42  molprobity  
550  550  p        -105.1   104.6  Favored  ?      5   6  0.17   8  0.39  molprobity  
551  551  mp       -131.7   131.8  Favored  ?     11   8  0.24  11  0.86  molprobity  
552  552  p        -166.0   129.7  Favored  ?      5   6  0.21   8  0.13  molprobity  
553  553  ?        -148.1   158.5  Favored  ?      5   5  0.32   7  0.71  molprobity  
554  554  m         -56.4   154.9  Favored  ?      5   6  0.15   8  0.48  molprobity  
555  555  m         -59.0   146.3  Favored  ?      9   7  0.31  10  0.39  molprobity  
556  556  ?          88.2   -16.2  Favored  ?      3   4  0.46   5  0.66  molprobity  
557  557  t70       -76.8  -177.8  Favored  ?      4   8  0.24  11  0.41  molprobity  
558  558  ttp85    -116.1   148.4  Favored  ?     13  11  0.16  14  0.40  molprobity  
559  559  t        -132.1   147.4  Favored  ?      9   7  0.43  10  0.44  molprobity  
560  560  p        -118.0   132.9  Favored  ?      7   7  0.20  10  0.59  molprobity  
561  561  mt       -131.6   134.8  Favored  ?     11   8  0.27  11  0.48  molprobity  
562  562  m        -131.4   115.2  Favored  ?      7   7  0.20  10  0.66  molprobity  
563  563  t         -99.1    83.1  Favored  ?      4   6  0.18   8  0.52  molprobity  
564  564  tpp180    -67.9   160.7  Favored  ?     13  11  0.20  14  0.40  molprobity  
565  565  p        -135.8   154.5  Favored  ?      7   7  0.21  10  0.64  molprobity  
566  566  p         -89.1   -24.6  Favored  ?      5   6  0.27   8  0.31  molprobity  
567  567  tt0      -132.8   156.1  Favored  ?      8   9  0.20  12  0.47  molprobity  
568  568  ?         -73.3   134.7  Favored  ?      3   4  0.27   5  0.48  molprobity  
569  569  pt       -132.0   130.8  Favored  ?     11   8  0.21  11  0.59  molprobity  
570  570  m-85      -60.5   -67.4  Allowed  ?      9  13  0.40  18  0.29  molprobity  
571  571  p-10     -140.7     9.5  Favored  ?      6   8  0.32  11  0.34  molprobity  
572  572  m-85      -79.9   102.8  Favored  ?      9  13  0.42  18  0.32  molprobity  
573  573  tt       -174.4   152.3  Allowed  ?     11   8  0.24  11  0.79  molprobity  
574  574  ?        -129.4   178.6  Favored  ?      5   5  0.33   7  0.50  molprobity  
575  575  m95      -140.7   134.3  Favored  ?     10  16  0.25  23  0.32  molprobity  
576  576  m-85     -116.9   144.6  Favored  ?      9  13  0.84  18  0.40  molprobity  
577  577  tt0      -117.8   138.0  Favored  ?      8   9  0.30  12  0.41  molprobity  
578  578  tm0?     -144.0   108.9  Favored  ?      8   9  0.30  12  0.82  molprobity  
579  579  mttt      -80.0   158.8  Favored  ?     13   9  0.29  12  0.30  molprobity  
580  580  Cg_exo    -56.9   132.3  Favored  ?      7   8  0.16  11  0.20  molprobity  
581  581  ?          66.5    44.4  Favored  ?      3   4  0.25   5  0.70  molprobity  
582  582  ptpp?    -161.0   172.4  Favored  ?     13   9  0.23  11  0.50  molprobity  
583  583  m         -69.7   146.4  Favored  ?      9   7  0.39  11  0.35  molprobity  
584  584  Cg_exo    -66.1   154.9  Favored  ?      7   8  0.30  11  0.42  molprobity  
585  585  tttm     -125.0   149.1  Favored  ?     13   9  0.22  11  0.35  molprobity  
586  586  tp        -87.0   145.4  Favored  ?     11   8  0.17  11  0.35  molprobity  
587  587  mt       -118.0   -53.1  Favored  ?     11   8  0.15  11  0.55  molprobity  
588  588  mm       -129.1   161.4  Favored  ?     11   8  0.25  11  0.66  molprobity  
589  589  p90      -155.6   161.0  Favored  ?      9  13  0.48  18  0.61  molprobity  
590  590  ?          67.1     9.9  Favored  ?      3   4  0.40   5  1.43  molprobity  
591  591  ?          76.5   -10.6  Allowed  ?      5   5  0.45   7  1.23  molprobity  
592  592  p        -138.8   -15.7  Allowed  ?      5   6  0.25   8  0.92  molprobity  
593  593  m         -80.8   116.0  Favored  ?      7   7  0.20  10  0.59  molprobity  
594  594  mm?       -67.3   150.4  Favored  ?     11   8  0.21  11  0.55  molprobity  
595  595  tp-100    -73.7   141.7  Favored  ?      8   9  0.25  12  0.34  molprobity  
596  596  p         -68.2   103.9  Allowed  ?      5   6  0.15   8  0.36  molprobity  
597  597  ?         110.2    22.7  Favored  ?      3   4  0.41   5  0.71  molprobity  
598  598  p        -119.9   149.2  Favored  ?      9   7  0.31  11  0.64  molprobity  
599  599  Cg_exo    -56.3   142.9  Favored  ?      7   8  0.12  11  0.36  molprobity  
600  600  t         -96.4    34.1  Allowed  ?      5   6  0.30   8  0.37  molprobity  
601  601  ptp85     -97.2     5.3  Favored  ?     13  11  0.21  14  0.41  molprobity  
602  602  m-85     -102.7   141.2  Favored  ?      9  12  0.43  16  0.30  molprobity  
603  603  p        -129.1    89.1  Favored  ?      5   6  0.20   8  0.42  molprobity  
604  604  ?         -69.1   115.6  Favored  ?      3   4  0.31   5  0.59  molprobity  
605  605  t        -113.9   -58.2  Favored  ?      5   6  0.29   8  0.65  molprobity  
606  606  ?         -78.4  -178.8  Favored  ?      3   4  0.37   5  0.95  molprobity  
607  607  t        -164.9   174.3  Favored  ?      5   6  0.20   8  0.71  molprobity  
608  608  ?          95.6   -99.4  Favored  ?      3   4  0.25   5  0.43  molprobity  
609  609  p        -120.4   -25.4  Favored  ?      7   7  0.20  10  0.75  molprobity  
610  610  p-10     -125.4   136.8  Favored  ?      4   8  0.20  11  0.32  molprobity  
611  611  m-30     -119.4   161.7  Favored  ?      9  12  0.68  16  0.59  molprobity  
612  612  p        -137.2   137.7  Favored  ?      7   7  0.24  10  0.67  molprobity  
613  613  tt       -120.2   126.6  Favored  ?     11   8  0.32  11  0.61  molprobity  
614  614  p        -129.1   138.4  Favored  ?      7   7  0.34  10  0.61  molprobity  
615  615  tt        -90.1   131.0  Favored  ?     11   8  0.25  11  0.48  molprobity  
616  616  p         -70.2   -37.3  Favored  ?      5   6  0.23   8  0.28  molprobity  
617  617  p        -148.8   142.9  Favored  ?      5   6  0.26   8  0.49  molprobity  
618  618  mt        -88.4   147.4  Favored  ?     11   8  0.22  11  0.62  molprobity  
619  619  mp0      -138.9   153.2  Favored  ?      8   9  0.21  13  0.45  molprobity  
620  620  Cg_endo   -80.7    -5.6  Favored  ?      7   8  0.24  11  0.59  molprobity  
621  621  pm0       -91.1    -4.2  Favored  ?      6   9  0.25  12  0.44  molprobity  
622  622  m-20     -111.1    39.2  Favored  ?      4   8  0.22  11  0.29  molprobity  
623  623  m         -93.0   121.4  Favored  ?      9   7  0.32  10  0.53  molprobity  
624  624  ?        -164.2  -167.0  Allowed  ?      5   5  0.35   7  0.74  molprobity  
625  625  m        -114.8   134.1  Favored  ?      7   7  0.25  10  0.59  molprobity  
626  626  m-85     -110.3   140.2  Favored  ?      9  13  0.58  18  0.29  molprobity  
627  627  m-85     -127.6   122.8  Favored  ?      9  13  0.69  18  0.30  molprobity  
628  628  p         -97.6   131.4  Favored  ?      4   6  0.22   8  0.53  molprobity  
629  629  tt0      -118.7   124.8  Favored  ?      8   9  0.37  12  0.46  molprobity  
630  630  ptmt      -66.5   146.6  Favored  ?     13   9  0.36  11  0.51  molprobity  
631  631  t80      -140.5    -2.4  Allowed  ?      9  13  1.17  18  1.22  molprobity  
632  632  tttp      -66.8   -50.4  Favored  ?     13   9  0.28  11  0.32  molprobity  
633  633  p        -158.3  -171.8  Favored  ?      5   6  0.24   8  0.57  molprobity  
634  634  ?         -60.5   150.0  Favored  Y      5   5  0.25   8  0.30  molprobity  
635  635  Cg_endo  -104.1    44.4  Favored  ?      7   8  0.27  11  0.75  molprobity  
636  636  mt         40.2    42.2  Allowed  ?     11   8  0.22  11  0.51  molprobity  
637  637  p         -75.8   134.1  Favored  ?      7   7  0.16  10  0.53  molprobity  
638  638  m-85      -73.7  -175.5  Favored  ?      9  12  0.51  16  0.33  molprobity  
639  639  ?        -101.0   177.4  Favored  ?      3   4  0.50   5  0.77  molprobity  
640  640  ?         -65.0   -50.8  Favored  ?      3   4  0.15   5  0.48  molprobity  
641  641  ?         115.0   138.7  Favored  ?      3   4  0.23   5  0.47  molprobity  
642  642  m        -131.8   126.9  Favored  ?      7   7  0.27  10  0.66  molprobity  
643  643  OUTLIER   -94.2   150.3  Favored  ?     13   9  0.24  11  0.41  molprobity  
644  644  m        -125.2   117.5  Favored  ?      9   7  0.33  10  0.57  molprobity  
645  645  tt0       -95.9  -169.4  Allowed  ?      6   9  0.30  12  0.52  molprobity  
646  646  tp       -129.0   155.9  Favored  ?     11   8  0.25  11  0.57  molprobity  
647  647  ttmm      -77.2   163.9  Favored  ?     13   9  0.18  11  0.74  molprobity  
648  648  tpt180        ?       ?  ?        ?     13  10  0.18  11  0.73  molprobity  
#
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    4  O       1  0.42  2.19  
  2    7  HG3     1  0.42  2.19  
  3   11  HB3     2  0.45  1.81  
  4   14  HE1     2  0.45  1.81  
  5   20  O       3  0.64  2.30  
  6   20  CZ2     4  0.52  2.44  
  7   23  HE3     5  0.60  1.84  
  8   25  HD11    5  0.60  1.84  
  9   26  OG      6  0.52  2.20  
 10   28  SG      7  0.51  2.84  
 11   29  N       7  0.51  2.84  
 12   31  OD1     8  0.42  2.52  
 13   32  N       8  0.42  2.52  
 14   34  HG23    9  0.63  1.80  
 15   35  HD12    9  0.63  1.80  
 16   50  HB3    10  0.50  1.93  
 17   53  HB2    10  0.50  1.93  
 18   59  HB3    11  0.41  2.03  
 19   61  OD1     6  0.52  2.20  
 20   71  HA2    12  0.46  2.51  
 21   79  HB2    13  0.41  2.03  
 22   85  HA     14  0.65  1.62  
 23   85  HA     15  0.52  1.91  
 24   85  HD12   16  0.45  1.82  
 25   85  H      16  0.45  1.82  
 26   88  OH     17  0.63  2.32  
 27   88  CD1    18  0.43  2.53  
 28   88  HA     19  0.43  2.00  
 29   89  HD22   14  0.65  1.62  
 30   89  HB2    15  0.52  1.91  
 31   94  HA     13  0.41  2.03  
 32  109  O      20  0.52  2.41  
 33  115  ND2    20  0.52  2.41  
 34  124  HE     21  0.48  1.78  
 35  124  HB3    18  0.43  2.53  
 36  128  HD22   21  0.48  1.78  
 37  128  HD23   19  0.43  2.00  
 38  129  HE2    22  0.43  1.81  
 39  129  HB2    22  0.43  1.81  
 40  133  NH1     3  0.64  2.30  
 41  133  HB3     4  0.52  2.44  
 42  134  O      23  0.43  2.18  
 43  135  HD13   23  0.43  2.18  
 44  175  CD1    12  0.46  2.51  
 45  183  HB2    11  0.41  2.03  
 46  185  HG     24  0.62  1.62  
 47  185  HB3    25  0.48  2.44  
 48  186  H      24  0.62  1.62  
 49  186  OE1    26  0.44  2.18  
 50  188  HG23   26  0.44  2.18  
 51  189  NE2    27  0.78  2.57  
 52  189  HB3    28  0.42  2.00  
 53  193  CD     29  0.48  2.16  
 54  193  OE1    30  0.41  2.20  
 55  194  H      29  0.48  2.16  
 56  194  HG12   30  0.41  2.20  
 57  194  HA     31  0.40  2.03  
 58  195  HD3    32  0.65  1.78  
 59  198  H      33  0.72  1.54  
 60  198  N      34  0.47  2.28  
 61  201  HD11   32  0.65  1.78  
 62  203  HG23   35  0.49  1.93  
 63  207  CD2    36  0.54  2.41  
 64  208  CB     25  0.48  2.44  
 65  215  HE1    37  0.54  1.55  
 66  215  CE1    38  0.47  2.32  
 67  221  HB3    39  0.48  1.95  
 68  223  HB2    40  0.59  1.84  
 69  226  HB2    40  0.59  1.84  
 70  228  HD12   41  0.46  2.51  
 71  231  HE3    39  0.48  1.95  
 72  235  O      42  0.42  2.19  
 73  239  HA     42  0.42  2.19  
 74  243  OH     43  0.46  2.42  
 75  244  O      44  0.46  2.44  
 76  246  N      44  0.46  2.44  
 77  249  HA3    45  0.73  1.69  
 78  252  N      43  0.46  2.42  
 79  260  HB     36  0.54  2.41  
 80  269  HD11   45  0.73  1.69  
 81  270  HG3    33  0.72  1.54  
 82  270  HG3    34  0.47  2.28  
 83  276  NZ     46  0.58  2.33  
 84  279  SG     27  0.78  2.57  
 85  281  HB3    47  0.56  1.86  
 86  281  HE1    37  0.54  1.55  
 87  281  HE1    38  0.47  2.32  
 88  281  CG     48  0.47  2.83  
 89  282  N      48  0.47  2.83  
 90  283  O      49  0.48  2.45  
 91  285  O      50  0.68  2.23  
 92  287  N      50  0.68  2.23  
 93  289  NE1    49  0.48  2.45  
 94  291  HB3    51  0.63  1.81  
 95  292  HD3    51  0.63  1.81  
 96  292  HD2    47  0.56  1.86  
 97  295  NE2    52  0.66  2.27  
 98  296  O      52  0.66  2.27  
 99  297  O      46  0.58  2.33  
100  298  HD12   35  0.49  1.93  
101  298  HD11   28  0.42  2.00  
102  301  HB     31  0.40  2.03  
103  304  HA     53  0.47  1.97  
104  309  NE2    54  0.66  2.67  
105  329  OG     55  0.53  2.19  
106  330  OE1    55  0.53  2.19  
107  333  HG2    56  0.43  2.34  
108  334  N      56  0.43  2.34  
109  336  HG     57  0.53  1.74  
110  337  H      57  0.53  1.74  
111  357  CZ     58  0.48  2.42  
112  357  HB3    59  0.47  1.97  
113  361  HD11   59  0.47  1.97  
114  363  HA2    58  0.48  2.42  
115  364  NH2    60  0.54  2.41  
116  366  OG     61  0.49  2.29  
117  368  HB2    62  0.46  1.97  
118  375  HB     62  0.46  1.97  
119  377  OG1    61  0.49  2.29  
120  382  OE1    60  0.54  2.41  
121  391  SG     54  0.66  2.67  
122  392  HG2    63  0.54  2.07  
123  393  O      63  0.54  2.07  
124  398  HB2    64  0.52  1.92  
125  399  HD3    64  0.52  1.92  
126  399  HG2    53  0.47  1.97  
127  399  O      65  0.46  2.16  
128  401  HG23   65  0.46  2.16  
129  402  CE2    41  0.46  2.51  
130  409  N      66  0.53  2.41  
131  409  OE2    66  0.53  2.41  
132  414  N      67  0.46  2.49  
133  414  OE1    67  0.46  2.49  
134  415  HD23   68  0.49  1.95  
135  417  OE2    69  0.50  2.39  
136  428  OG     70  0.42  2.37  
137  429  HD12   71  0.67  1.59  
138  429  HD12   72  0.50  2.26  
139  430  H      71  0.67  1.59  
140  430  N      72  0.50  2.26  
141  435  HA     68  0.49  1.95  
142  446  ND2    73  0.41  2.18  
143  447  O      74  0.43  2.19  
144  449  NH1    75  0.75  2.20  
145  457  OE1    75  0.75  2.20  
146  459  HG12   74  0.43  2.19  
147  464  HA     76  0.66  1.61  
148  464  HA     77  0.53  2.23  
149  465  HA     78  0.71  1.71  
150  465  HD2    79  0.43  2.18  
151  465  O      79  0.43  2.18  
152  469  HB2    78  0.71  1.71  
153  473  HB2    80  0.60  1.84  
154  473  HE1    81  0.45  1.81  
155  477  HG13   82  0.60  1.65  
156  478  HD2    80  0.60  1.84  
157  478  HD2    83  0.47  1.73  
158  478  HA     83  0.47  1.73  
159  481  HD2    82  0.60  1.65  
160  483  HG13   81  0.45  1.81  
161  485  HH12   76  0.66  1.61  
162  485  NH1    77  0.53  2.23  
163  497  O      70  0.42  2.37  
164  504  OG1    84  0.52  2.42  
165  513  HB2    85  0.62  2.35  
166  516  HB3    86  0.67  1.77  
167  518  NH1    17  0.63  2.32  
168  521  HB3    86  0.67  1.77  
169  526  HB3    87  0.48  1.78  
170  526  HB3    88  0.45  2.52  
171  527  CE2    85  0.62  2.35  
172  527  HD2    89  0.42  2.38  
173  528  N      90  0.42  2.44  
174  528  HE1    73  0.41  2.18  
175  534  N      69  0.50  2.39  
176  539  N      84  0.52  2.42  
177  546  NE2    91  0.67  2.16  
178  548  HG2    92  0.58  1.85  
179  550  C      93  0.45  2.36  
180  550  HA     94  0.40  2.04  
181  551  HD11   92  0.58  1.85  
182  551  HD12   93  0.45  2.36  
183  554  H      95  0.57  1.70  
184  554  N      96  0.41  2.34  
185  559  HB     97  0.60  1.84  
186  560  HA     98  0.68  1.75  
187  570  O      99  0.51  2.27  
188  573  HD13  100  0.47  2.49  
189  573  HD22  101  0.45  1.80  
190  576  OH     90  0.42  2.44  
191  578  NE2   102  0.42  2.53  
192  579  HB3   103  0.54  1.71  
193  579  HG3   104  0.52  1.90  
194  580  O     105  0.66  2.21  
195  582  NZ    105  0.66  2.21  
196  582  HZ2   103  0.54  1.71  
197  582  O     102  0.42  2.53  
198  595  OE1   106  0.46  2.48  
199  595  O     107  0.45  2.16  
200  596  N     106  0.46  2.48  
201  598  HG12  107  0.45  2.16  
202  603  OG    108  0.58  2.21  
203  607  OG     99  0.51  2.27  
204  611  CD2   100  0.47  2.49  
205  611  HD2   101  0.45  1.80  
206  614  HG22   98  0.68  1.75  
207  614  OG1   108  0.58  2.21  
208  615  HG22   97  0.60  1.84  
209  624  HB2   104  0.52  1.90  
210  626  O      91  0.67  2.16  
211  629  HG2   109  0.46  2.15  
212  630  O     109  0.46  2.15  
213  631  HE1    87  0.48  1.78  
214  631  CE1    88  0.45  2.52  
215  631  CE1    89  0.42  2.38  
216  635  HG2   110  0.42  2.01  
217  637  HG23  110  0.42  2.01  
218  643  HE3    94  0.40  2.04  
219  645  HG2   111  0.43  1.84  
220  646  H     111  0.43  1.84  
221  647  HE2    95  0.57  1.70  
222  647  HE2    96  0.41  2.34  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.omega
1  214  peptide  -148.73  
2  297  peptide  -147.39  
3  438  peptide   149.47  
#
loop_
_pdbx_vrpt_model_instance_map_fitting.ordinal
_pdbx_vrpt_model_instance_map_fitting.instance_id
_pdbx_vrpt_model_instance_map_fitting.residue_inclusion
_pdbx_vrpt_model_instance_map_fitting.Q_score
  1    1   0.625  0.516  
  2    2     0.5  0.360  
  3    3  0.6667  0.486  
  4    4  0.7143  0.471  
  5    5  0.4545  0.492  
  6    6    0.75  0.355  
  7    7  0.3333  0.361  
  8    8  0.8571  0.510  
  9    9  0.8182  0.528  
 10   10     1.0  0.554  
 11   11     0.8  0.582  
 12   12  0.5714  0.526  
 13   13  0.4545  0.530  
 14   14  0.9091  0.512  
 15   15     0.8  0.589  
 16   16  0.8333  0.546  
 17   17  0.7143  0.479  
 18   18    0.75  0.479  
 19   19     0.8  0.545  
 20   20     1.0  0.496  
 21   21     0.5  0.464  
 22   22  0.9091  0.617  
 23   23  0.6667  0.532  
 24   24  0.5455  0.411  
 25   25   0.625  0.467  
 26   26  0.6667  0.415  
 27   27     0.5  0.395  
 28   28  0.6667  0.438  
 29   29  0.5714  0.403  
 30   30     0.6  0.409  
 31   31     0.5  0.333  
 32   32    0.75  0.472  
 33   33  0.6667  0.381  
 34   34  0.5714  0.392  
 35   35     0.5  0.442  
 36   36     0.5  0.358  
 37   37     0.5  0.369  
 38   38  0.6667  0.447  
 39   39     0.0  0.303  
 40   40     0.5  0.380  
 41   41  0.9091  0.531  
 42   42     0.5  0.425  
 43   43  0.7143  0.487  
 44   44  0.7273  0.498  
 45   45  0.5556  0.428  
 46   46  0.8333  0.519  
 47   47  0.8333  0.505  
 48   48     0.5  0.391  
 49   49  0.4286  0.434  
 50   50  0.6667  0.493  
 51   51  0.5714  0.498  
 52   52  0.5714  0.397  
 53   53  0.5556  0.462  
 54   54     0.5  0.366  
 55   55   0.375  0.407  
 56   56   0.375  0.273  
 57   57    0.25  0.403  
 58   58  0.6667  0.414  
 59   59  0.8182  0.551  
 60   60  0.5714  0.455  
 61   61   0.625  0.481  
 62   62  0.8571  0.511  
 63   63    0.75  0.505  
 64   64     0.8  0.551  
 65   65   0.625  0.402  
 66   66  0.8333  0.549  
 67   67  0.9091  0.512  
 68   68  0.8571  0.532  
 69   69   0.875  0.554  
 70   70  0.7273  0.505  
 71   71     1.0  0.510  
 72   72     0.5  0.413  
 73   73  0.5556  0.543  
 74   74  0.8571  0.489  
 75   75  0.6364  0.448  
 76   76  0.8889  0.512  
 77   77     0.5  0.498  
 78   78     1.0  0.516  
 79   79  0.5714  0.511  
 80   80    0.25  0.475  
 81   81  0.5556  0.466  
 82   82  0.4286  0.485  
 83   83     1.0  0.489  
 84   84     0.5  0.341  
 85   85    0.75  0.449  
 86   86     0.6  0.455  
 87   87   0.625  0.421  
 88   88  0.9167  0.574  
 89   89    0.75  0.495  
 90   90  0.8333  0.562  
 91   91  0.6667  0.598  
 92   92   0.625  0.555  
 93   93  0.7143  0.418  
 94   94   0.125  0.495  
 95   95    0.25  0.448  
 96   96  0.6364  0.498  
 97   97  0.5714  0.418  
 98   98    0.75  0.525  
 99   99  0.6667  0.469  
100  100  0.7143  0.532  
101  101   0.625  0.446  
102  102     1.0  0.559  
103  103     1.0  0.532  
104  104   0.875  0.490  
105  105     1.0  0.581  
106  106    0.75  0.485  
107  107    0.75  0.443  
108  108    0.75  0.500  
109  109     0.5  0.360  
110  110  0.8333  0.491  
111  111  0.6667  0.548  
112  112  0.8571  0.503  
113  113     1.0  0.530  
114  114     1.0  0.548  
115  115     1.0  0.522  
116  116  0.5833  0.590  
117  117    0.75  0.509  
118  118  0.9167  0.583  
119  119    0.75  0.585  
120  120  0.8333  0.554  
121  121  0.9091  0.537  
122  122   0.625  0.456  
123  123  0.7273  0.518  
124  124  0.7273  0.521  
125  125  0.4444  0.560  
126  126     0.5  0.474  
127  127    0.75  0.522  
128  128     0.5  0.448  
129  129  0.4444  0.481  
130  130  0.7143  0.471  
131  131  0.5455  0.515  
132  132  0.5556  0.426  
133  133  0.7273  0.519  
134  134    0.75  0.385  
135  135     0.5  0.481  
136  136  0.6667  0.517  
137  137  0.5714  0.472  
138  138  0.3333  0.341  
139  139   0.625  0.522  
140  140  0.6667  0.464  
141  141  0.7778  0.421  
142  142     0.6  0.579  
143  143    0.75  0.499  
144  144  0.1667  0.426  
145  145  0.5714  0.518  
146  146  0.7143  0.489  
147  147     0.0  0.098  
148  148   0.375  0.471  
149  149     0.0  0.357  
150  150  0.4286  0.397  
151  151  0.6667  0.586  
152  152     1.0  0.565  
153  153  0.9091  0.533  
154  154   0.625  0.550  
155  155  0.8333  0.556  
156  156  0.8333  0.500  
157  157  0.8182  0.522  
158  158     1.0  0.562  
159  159    0.75  0.498  
160  160  0.5556  0.554  
161  161  0.8333  0.534  
162  162  0.9167  0.570  
163  163    0.75  0.545  
164  164     1.0  0.586  
165  165  0.7778  0.552  
166  166     1.0  0.560  
167  167     1.0  0.552  
168  168    0.75  0.568  
169  169    0.75  0.360  
170  170  0.7143  0.479  
171  171    0.75  0.458  
172  172  0.4167  0.505  
173  173  0.8889  0.600  
174  174     1.0  0.559  
175  175  0.9167  0.525  
176  176  0.7273  0.557  
177  177  0.7143  0.564  
178  178  0.7143  0.473  
179  179  0.8571  0.515  
180  180    0.75  0.480  
181  181  0.6667  0.483  
182  182  0.9091  0.574  
183  183  0.6667  0.448  
184  184  0.1111  0.242  
185  185   0.625  0.504  
186  186  0.5556  0.452  
187  187     1.0  0.578  
188  188  0.7143  0.507  
189  189     1.0  0.588  
190  190     0.5  0.469  
191  191    0.25  0.330  
192  192     0.6  0.498  
193  193  0.3333  0.340  
194  194  0.4286  0.382  
195  195  0.4444  0.549  
196  196  0.3333  0.431  
197  197  0.7143  0.435  
198  198    0.75  0.485  
199  199  0.3333  0.427  
200  200  0.6667  0.442  
201  201   0.625  0.445  
202  202  0.6667  0.490  
203  203   0.625  0.389  
204  204     1.0  0.518  
205  205  0.8333  0.514  
206  206  0.4444  0.431  
207  207  0.9167  0.480  
208  208     0.5  0.187  
209  209     0.5  0.429  
210  210   0.375  0.442  
211  211   0.625  0.407  
212  212     0.5  0.403  
213  213  0.5714  0.481  
214  214   0.875  0.535  
215  215  0.9091  0.501  
216  216     1.0  0.565  
217  217   0.875  0.564  
218  218     1.0  0.595  
219  219     1.0  0.593  
220  220     1.0  0.584  
221  221  0.9091  0.581  
222  222  0.7778  0.553  
223  223     0.5  0.420  
224  224     0.6  0.492  
225  225    0.25  0.396  
226  226  0.4444  0.517  
227  227    0.75  0.479  
228  228     1.0  0.597  
229  229  0.5556  0.385  
230  230  0.9286  0.579  
231  231   0.875  0.574  
232  232     1.0  0.577  
233  233   0.875  0.554  
234  234    0.75  0.464  
235  235  0.9167  0.538  
236  236  0.8571  0.514  
237  237   0.625  0.505  
238  238   0.375  0.249  
239  239  0.3333  0.447  
240  240     0.5  0.445  
241  241  0.6667  0.511  
242  242  0.8182  0.605  
243  243  0.9167  0.569  
244  244  0.8333  0.529  
245  245     1.0  0.570  
246  246     1.0  0.474  
247  247  0.5455  0.456  
248  248  0.4444  0.407  
249  249     1.0  0.506  
250  250  0.5556  0.369  
251  251  0.7143  0.452  
252  252   0.625  0.508  
253  253     0.5  0.395  
254  254     0.5  0.362  
255  255     0.0  0.246  
256  256    0.25  0.313  
257  257  0.3333  0.364  
258  258  0.3333  0.369  
259  259   0.125  0.412  
260  260  0.5714  0.424  
261  261  0.5714  0.545  
262  262     0.6  0.378  
263  263   0.625  0.398  
264  264   0.875  0.553  
265  265     0.6  0.420  
266  266  0.7857  0.442  
267  267  0.6667  0.456  
268  268     0.5  0.503  
269  269     0.5  0.241  
270  270  0.2222  0.316  
271  271  0.4286  0.398  
272  272  0.1667  0.375  
273  273   0.625  0.381  
274  274  0.7143  0.533  
275  275     1.0  0.571  
276  276  0.8889  0.589  
277  277     1.0  0.583  
278  278     1.0  0.595  
279  279     1.0  0.494  
280  280  0.7143  0.492  
281  281  0.9167  0.501  
282  282     1.0  0.598  
283  283  0.8333  0.523  
284  284     1.0  0.507  
285  285  0.6667  0.445  
286  286  0.7143  0.552  
287  287     1.0  0.502  
288  288    0.75  0.421  
289  289  0.9286  0.500  
290  290     1.0  0.594  
291  291     0.5  0.352  
292  292  0.8571  0.531  
293  293  0.8571  0.525  
294  294     1.0  0.540  
295  295  0.2222  0.256  
296  296    0.75  0.443  
297  297  0.7143  0.302  
298  298     0.5  0.256  
299  299  0.7143  0.549  
300  300  0.8571  0.545  
301  301  0.5714  0.546  
302  302  0.8333  0.525  
303  303  0.6667  0.541  
304  304     0.0  0.329  
305  305  0.7143  0.525  
306  306  0.5714  0.451  
307  307    0.75  0.548  
308  308  0.7143  0.480  
309  309     1.0  0.591  
310  310  0.8333  0.486  
311  311     1.0  0.565  
312  312     0.6  0.524  
313  313  0.5714  0.513  
314  314   0.625  0.507  
315  315     0.5  0.494  
316  316  0.7143  0.444  
317  317  0.6667  0.387  
318  318  0.5714  0.489  
319  319    0.75  0.504  
320  320  0.4444  0.474  
321  321  0.2727  0.413  
322  322     0.8  0.579  
323  323  0.5714  0.530  
324  324    0.75  0.487  
325  325  0.8333  0.459  
326  326  0.6667  0.532  
327  327  0.3636  0.417  
328  328     0.6  0.467  
329  329  0.6667  0.471  
330  330  0.5556  0.455  
331  331     0.5  0.385  
332  332  0.5714  0.491  
333  333  0.4545  0.450  
334  334     0.5  0.509  
335  335   0.875  0.553  
336  336   0.875  0.535  
337  337     0.8  0.549  
338  338     1.0  0.608  
339  339  0.9167  0.597  
340  340  0.8889  0.585  
341  341  0.8889  0.581  
342  342  0.6667  0.549  
343  343  0.4286  0.501  
344  344    0.75  0.447  
345  345  0.6667  0.352  
346  346     0.8  0.493  
347  347     1.0  0.510  
348  348  0.7273  0.524  
349  349   0.875  0.562  
350  350     1.0  0.605  
351  351    0.75  0.500  
352  352  0.9167  0.476  
353  353   0.625  0.470  
354  354     0.8  0.482  
355  355     0.5  0.504  
356  356  0.7143  0.458  
357  357  0.6364  0.512  
358  358     0.6  0.356  
359  359  0.4286  0.432  
360  360     0.0  0.398  
361  361   0.875  0.501  
362  362  0.5714  0.488  
363  363    0.25  0.370  
364  364  0.7273  0.487  
365  365     1.0  0.592  
366  366     0.5  0.404  
367  367     1.0  0.570  
368  368  0.6667  0.488  
369  369     0.5  0.516  
370  370     0.5  0.449  
371  371    0.75  0.492  
372  372  0.7143  0.572  
373  373  0.4444  0.362  
374  374  0.8182  0.560  
375  375  0.7143  0.484  
376  376   0.625  0.524  
377  377  0.7143  0.481  
378  378   0.625  0.421  
379  379  0.8333  0.547  
380  380  0.6667  0.484  
381  381   0.625  0.561  
382  382  0.3333  0.490  
383  383  0.3333  0.503  
384  384  0.3333  0.360  
385  385   0.625  0.472  
386  386  0.5455  0.458  
387  387     0.8  0.527  
388  388  0.7143  0.494  
389  389     1.0  0.633  
390  390     1.0  0.618  
391  391  0.8333  0.508  
392  392  0.8889  0.565  
393  393  0.8889  0.505  
394  394    0.75  0.517  
395  395    0.75  0.473  
396  396   0.625  0.460  
397  397  0.9286  0.473  
398  398     1.0  0.443  
399  399  0.7143  0.341  
400  400  0.9286  0.590  
401  401  0.7143  0.482  
402  402     1.0  0.604  
403  403     1.0  0.516  
404  404  0.7778  0.507  
405  405     1.0  0.579  
406  406  0.8571  0.543  
407  407  0.4444  0.537  
408  408     1.0  0.561  
409  409  0.3333  0.375  
410  410    0.75  0.463  
411  411  0.8889  0.565  
412  412     0.0  0.175  
413  413  0.4286  0.426  
414  414  0.3333  0.392  
415  415   0.625  0.569  
416  416  0.5714  0.435  
417  417  0.4444  0.433  
418  418  0.6667  0.503  
419  419    0.75  0.590  
420  420    0.75  0.498  
421  421    0.75  0.605  
422  422  0.2727  0.322  
423  423  0.7143  0.572  
424  424  0.3333  0.362  
425  425  0.8571  0.478  
426  426     0.0  0.274  
427  427    0.25  0.402  
428  428  0.8333  0.546  
429  429   0.625  0.487  
430  430  0.6364  0.456  
431  431   0.625  0.548  
432  432  0.6667  0.548  
433  433     0.5  0.529  
434  434     0.6  0.571  
435  435     0.6  0.446  
436  436     0.5  0.401  
437  437     0.5  0.474  
438  438  0.3636  0.426  
439  439  0.4444  0.439  
440  440  0.9091  0.516  
441  441     0.5  0.411  
442  442   0.375  0.404  
443  443     0.8  0.524  
444  444  0.8571  0.525  
445  445   0.875  0.578  
446  446   0.875  0.551  
447  447  0.9286  0.599  
448  448  0.7143  0.546  
449  449     1.0  0.586  
450  450  0.7778  0.563  
451  451     0.8  0.531  
452  452  0.5714  0.456  
453  453     0.5  0.480  
454  454  0.4444  0.463  
455  455    0.75  0.423  
456  456    0.75  0.578  
457  457  0.5556  0.544  
458  458     1.0  0.584  
459  459     1.0  0.543  
460  460    0.75  0.600  
461  461  0.9091  0.587  
462  462    0.75  0.538  
463  463  0.8889  0.560  
464  464  0.8333  0.525  
465  465  0.4444  0.363  
466  466     1.0  0.610  
467  467     0.5  0.572  
468  468    0.75  0.465  
469  469  0.6667  0.589  
470  470  0.7143  0.535  
471  471  0.7143  0.455  
472  472   0.625  0.496  
473  473  0.9167  0.535  
474  474     0.6  0.488  
475  475     0.6  0.490  
476  476  0.4286  0.493  
477  477  0.5714  0.409  
478  478  0.1111  0.469  
479  479    0.25  0.381  
480  480  0.6364  0.478  
481  481  0.5455  0.505  
482  482  0.6667  0.480  
483  483    0.75  0.577  
484  484  0.8333  0.526  
485  485  0.8182  0.499  
486  486   0.375  0.426  
487  487     0.5  0.424  
488  488  0.3333  0.457  
489  489  0.4444  0.465  
490  490     0.5  0.439  
491  491  0.7143  0.496  
492  492   0.625  0.513  
493  493  0.9091  0.522  
494  494   0.875  0.582  
495  495  0.7778  0.483  
496  496    0.75  0.558  
497  497     0.5  0.365  
498  498   0.625  0.413  
499  499   0.375  0.444  
500  500  0.1111  0.206  
501  501  0.3333  0.438  
502  502   0.375  0.468  
503  503     0.5  0.394  
504  504  0.5714  0.358  
505  505     0.8  0.489  
506  506  0.8571  0.558  
507  507  0.9167  0.568  
508  508  0.9167  0.530  
509  509  0.6667  0.473  
510  510  0.7143  0.537  
511  511  0.8571  0.533  
512  512     1.0  0.592  
513  513     0.8  0.431  
514  514    0.75  0.523  
515  515  0.5714  0.443  
516  516  0.4444  0.418  
517  517  0.1667  0.246  
518  518  0.4545  0.505  
519  519     0.5  0.424  
520  520  0.7273  0.535  
521  521     0.5  0.404  
522  522     1.0  0.568  
523  523  0.8182  0.582  
524  524     1.0  0.545  
525  525     1.0  0.623  
526  526  0.9167  0.578  
527  527  0.8333  0.531  
528  528  0.9091  0.585  
529  529   0.625  0.497  
530  530     0.5  0.448  
531  531  0.9286  0.546  
532  532    0.75  0.459  
533  533  0.4444  0.378  
534  534    0.75  0.523  
535  535  0.5714  0.490  
536  536     0.5  0.441  
537  537  0.8571  0.501  
538  538  0.4286  0.405  
539  539  0.7143  0.516  
540  540  0.1667  0.321  
541  541     0.0  0.491  
542  542   0.125  0.392  
543  543  0.2222  0.293  
544  544   0.625  0.454  
545  545  0.5714  0.380  
546  546  0.8889  0.575  
547  547  0.6667  0.516  
548  548  0.8571  0.471  
549  549  0.6667  0.529  
550  550  0.6667  0.522  
551  551   0.375  0.290  
552  552     0.5  0.294  
553  553     0.6  0.309  
554  554  0.3333  0.343  
555  555  0.8571  0.508  
556  556     0.5  0.179  
557  557   0.625  0.485  
558  558  0.4545  0.509  
559  559  0.4286  0.323  
560  560  0.7143  0.519  
561  561   0.625  0.478  
562  562  0.7143  0.398  
563  563  0.8333  0.518  
564  564  0.5455  0.521  
565  565  0.2857  0.408  
566  566  0.3333  0.485  
567  567  0.3333  0.543  
568  568    0.75  0.515  
569  569     1.0  0.453  
570  570     0.5  0.437  
571  571   0.625  0.387  
572  572  0.9167  0.564  
573  573   0.875  0.518  
574  574     0.8  0.520  
575  575     1.0  0.608  
576  576     1.0  0.605  
577  577  0.8889  0.560  
578  578  0.8889  0.511  
579  579  0.4444  0.325  
580  580  0.5714  0.463  
581  581     0.5  0.508  
582  582  0.6667  0.473  
583  583  0.7143  0.464  
584  584     1.0  0.521  
585  585  0.5556  0.426  
586  586   0.875  0.581  
587  587   0.875  0.512  
588  588   0.625  0.380  
589  589  0.9167  0.541  
590  590    0.75  0.463  
591  591     0.8  0.476  
592  592  0.8333  0.563  
593  593  0.8571  0.463  
594  594    0.75  0.521  
595  595  0.6667  0.436  
596  596     0.0  0.210  
597  597    0.25  0.498  
598  598  0.4286  0.472  
599  599  0.5714  0.488  
600  600  0.3333  0.468  
601  601  0.4545  0.423  
602  602  0.9091  0.574  
603  603  0.6667  0.447  
604  604    0.75  0.537  
605  605     0.5  0.486  
606  606     1.0  0.545  
607  607  0.6667  0.500  
608  608    0.75  0.403  
609  609  0.4286  0.375  
610  610   0.625  0.467  
611  611  0.9091  0.492  
612  612  0.8571  0.568  
613  613     1.0  0.562  
614  614  0.7143  0.504  
615  615   0.625  0.451  
616  616     0.5  0.456  
617  617     0.5  0.327  
618  618   0.625  0.463  
619  619  0.4444  0.296  
620  620     0.0  0.330  
621  621  0.3333  0.318  
622  622   0.625  0.502  
623  623  0.5714  0.467  
624  624     1.0  0.581  
625  625  0.5714  0.491  
626  626  0.9167  0.568  
627  627  0.9167  0.541  
628  628     1.0  0.538  
629  629  0.7778  0.551  
630  630  0.6667  0.503  
631  631    0.75  0.393  
632  632  0.6667  0.517  
633  633  0.6667  0.372  
634  634     0.8  0.462  
635  635  0.8571  0.426  
636  636   0.875  0.581  
637  637  0.5714  0.471  
638  638     1.0  0.601  
639  639     1.0  0.563  
640  640    0.75  0.438  
641  641    0.75  0.561  
642  642  0.8571  0.420  
643  643  0.5556  0.376  
644  644  0.8571  0.431  
645  645  0.3333  0.265  
646  646    0.75  0.413  
647  647  0.5556  0.502  
648  648  0.9091  0.607  
#
_pdbx_vrpt_em_details.ordinal                    1
_pdbx_vrpt_em_details.recommended_contour_level  0.518
#
loop_
_pdbx_vrpt_em_graph_atom_inclusion.graph_id
_pdbx_vrpt_em_graph_atom_inclusion.type
atom_inclusion_all_atoms  all_atoms  
atom_inclusion_backbone   backbone   
#
loop_
_pdbx_vrpt_em_2d_graph_info.graph_data_id
_pdbx_vrpt_em_2d_graph_info.graph_id
_pdbx_vrpt_em_2d_graph_info.title
_pdbx_vrpt_em_2d_graph_info.x_axis_title
_pdbx_vrpt_em_2d_graph_info.x_axis_scale
_pdbx_vrpt_em_2d_graph_info.x_axis_units
_pdbx_vrpt_em_2d_graph_info.y_axis_title
_pdbx_vrpt_em_2d_graph_info.y_axis_scale
_pdbx_vrpt_em_2d_graph_info.y_axis_units
d_dvd    map_value_distribution                ?     Map-value            ?     .    "Number of voxels"                  log10  .    
d_raps   rotationally_averaged_power_spectrum  ?     "Spatial frequency"  ?     1/A  Intensity                           log10  .    
d_ve     volume_estimate                       ?     "Contour level"      ?     .    Volume                              ?      nm3  
d_ai_aa  atom_inclusion_all_atoms              ?     "Contour level"      ?     .    "Fraction of model inside the map"  ?      .    
d_ai_bb  atom_inclusion_backbone               ?     "Contour level"      ?     .    "Fraction of model inside the map"  ?      .    
#
loop_
_pdbx_vrpt_em_2d_graph_data.ordinal
_pdbx_vrpt_em_2d_graph_data.graph_data_id
_pdbx_vrpt_em_2d_graph_data.x_value
_pdbx_vrpt_em_2d_graph_data.y_value
  1  d_dvd    -4.7657356262               0.0  
  2  d_dvd    -4.6732950473               0.0  
  3  d_dvd    -4.5808544685               0.0  
  4  d_dvd    -4.4884138896               0.0  
  5  d_dvd    -4.3959733107               0.0  
  6  d_dvd    -4.3035327318               0.0  
  7  d_dvd    -4.2110921529               0.0  
  8  d_dvd    -4.1186515741      0.6989700043  
  9  d_dvd    -4.0262109952               0.0  
 10  d_dvd    -3.9337704163               0.0  
 11  d_dvd    -3.8413298374      0.6020599913  
 12  d_dvd    -3.7488892585      0.6020599913  
 13  d_dvd    -3.6564486796      0.7781512504  
 14  d_dvd    -3.5640081008      0.6020599913  
 15  d_dvd    -3.4715675219      0.6020599913  
 16  d_dvd     -3.379126943      0.3010299957  
 17  d_dvd    -3.2866863641      0.4771212547  
 18  d_dvd    -3.1942457852      0.7781512504  
 19  d_dvd    -3.1018052064      0.3010299957  
 20  d_dvd    -3.0093646275      0.7781512504  
 21  d_dvd    -2.9169240486      0.7781512504  
 22  d_dvd    -2.8244834697      0.7781512504  
 23  d_dvd    -2.7320428908       1.079181246  
 24  d_dvd     -2.639602312        0.84509804  
 25  d_dvd    -2.5471617331               1.0  
 26  d_dvd    -2.4547211542      1.1139433523  
 27  d_dvd    -2.3622805753      1.3802112417  
 28  d_dvd    -2.2698399964      1.1139433523  
 29  d_dvd    -2.1773994175      1.3010299957  
 30  d_dvd    -2.0849588387      1.3222192947  
 31  d_dvd    -1.9925182598      1.4913616938  
 32  d_dvd    -1.9000776809      1.5797835966  
 33  d_dvd     -1.807637102      1.6334684556  
 34  d_dvd    -1.7151965231      1.4771212547  
 35  d_dvd    -1.6227559443      1.6812412374  
 36  d_dvd    -1.5303153654       1.748188027  
 37  d_dvd    -1.4378747865        1.84509804  
 38  d_dvd    -1.3454342076       1.903089987  
 39  d_dvd    -1.2529936287      2.0253058653  
 40  d_dvd    -1.1605530499      2.0086001718  
 41  d_dvd     -1.068112471      2.2174839442  
 42  d_dvd    -0.9756718921       2.348304863  
 43  d_dvd    -0.8832313132      2.3926969533  
 44  d_dvd    -0.7907907343       2.559906625  
 45  d_dvd    -0.6983501554      2.6972293428  
 46  d_dvd    -0.6059095766      2.8561244442  
 47  d_dvd    -0.5134689977      3.0678145112  
 48  d_dvd    -0.4210284188      3.2622137055  
 49  d_dvd    -0.3285878399      3.5272431164  
 50  d_dvd     -0.236147261      4.1630122098  
 51  d_dvd    -0.1437066822      6.3800177566  
 52  d_dvd    -0.0512661033      7.7712144006  
 53  d_dvd     0.0411744756      6.2793360791  
 54  d_dvd     0.1336150545      5.5952988706  
 55  d_dvd     0.2260556334      5.1781910552  
 56  d_dvd     0.3184962122      4.4307521044  
 57  d_dvd     0.4109367911      4.1948472196  
 58  d_dvd       0.50337737      4.0401274418  
 59  d_dvd     0.5958179489      3.8727388275  
 60  d_dvd     0.6882585278      3.7274599209  
 61  d_dvd     0.7806991067      3.5666731376  
 62  d_dvd     0.8731396855      3.4353665066  
 63  d_dvd     0.9655802644      3.2837533833  
 64  d_dvd     1.0580208433      3.1604685311  
 65  d_dvd     1.1504614222      3.0034605321  
 66  d_dvd     1.2429020011      2.8621313793  
 67  d_dvd     1.3353425799      2.7909884751  
 68  d_dvd     1.4277831588      2.6263403674  
 69  d_dvd     1.5202237377      2.5820633629  
 70  d_dvd     1.6126643166        2.42975228  
 71  d_dvd     1.7051048955      2.2944662262  
 72  d_dvd     1.7975454743      2.2253092817  
 73  d_dvd     1.8899860532      2.1492191127  
 74  d_dvd     1.9824266321      1.9294189257  
 75  d_dvd      2.074867211      1.9084850189  
 76  d_dvd     2.1673077899      1.8864907252  
 77  d_dvd     2.2597483688      1.7403626895  
 78  d_dvd     2.3521889476      1.7075701761  
 79  d_dvd     2.4446295265      1.5563025008  
 80  d_dvd     2.5370701054      1.6720978579  
 81  d_dvd     2.6295106843      1.5440680444  
 82  d_dvd     2.7219512632      1.3979400087  
 83  d_dvd      2.814391842      1.4623979979  
 84  d_dvd     2.9068324209       1.278753601  
 85  d_dvd     2.9992729998      1.2304489214  
 86  d_dvd     3.0917135787      1.1461280357  
 87  d_dvd     3.1841541576      1.1139433523  
 88  d_dvd     3.2765947364               1.0  
 89  d_dvd     3.3690353153        0.84509804  
 90  d_dvd     3.4614758942      1.1139433523  
 91  d_dvd     3.5539164731      1.0413926852  
 92  d_dvd      3.646357052        0.84509804  
 93  d_dvd     3.7387976309      0.7781512504  
 94  d_dvd     3.8312382097        0.84509804  
 95  d_dvd     3.9236787886        0.84509804  
 96  d_dvd     4.0161193675      0.6020599913  
 97  d_dvd     4.1085599464      0.4771212547  
 98  d_dvd     4.2010005253      0.6020599913  
 99  d_dvd     4.2934411041      0.4771212547  
100  d_dvd      4.385881683      0.4771212547  
101  d_dvd     4.4783222619      0.3010299957  
102  d_dvd     4.5707628408      0.6989700043  
103  d_dvd     4.6632034197      0.3010299957  
104  d_dvd     4.7556439985      0.6020599913  
105  d_dvd     4.8480845774               0.0  
106  d_dvd     4.9405251563               0.0  
107  d_dvd     5.0329657352               0.0  
108  d_dvd     5.1254063141      0.4771212547  
109  d_dvd      5.217846893               0.0  
110  d_dvd     5.3102874718               0.0  
111  d_dvd     5.4027280507               0.0  
112  d_dvd     5.4951686296               0.0  
113  d_dvd     5.5876092085               0.0  
114  d_dvd     5.6800497874               0.0  
115  d_dvd     5.7724903662               0.0  
116  d_dvd     5.8649309451               0.0  
117  d_dvd      5.957371524               0.0  
118  d_dvd     6.0498121029               0.0  
119  d_dvd     6.1422526818               0.0  
120  d_dvd     6.2346932606               0.0  
121  d_dvd     6.3271338395               0.0  
122  d_dvd     6.4195744184               0.0  
123  d_dvd     6.5120149973               0.0  
124  d_dvd     6.6044555762               0.0  
125  d_dvd      6.696896155               0.0  
126  d_dvd     6.7893367339               0.0  
127  d_dvd     6.8817773128               0.0  
128  d_raps             0.0      4.6281369342  
129  d_raps    0.0022935779      4.6281369342  
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476  d_ai_aa      -3.114805               1.0  
477  d_ai_aa      -3.023086               1.0  
478  d_ai_aa      -2.931368               1.0  
479  d_ai_aa       -2.83965               1.0  
480  d_ai_aa      -2.747931               1.0  
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486  d_ai_aa      -2.197621               1.0  
487  d_ai_aa      -2.105902               1.0  
488  d_ai_aa      -2.014184               1.0  
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491  d_ai_aa      -1.739029               1.0  
492  d_ai_aa       -1.64731               1.0  
493  d_ai_aa      -1.555592               1.0  
494  d_ai_aa      -1.463874               1.0  
495  d_ai_aa      -1.372155               1.0  
496  d_ai_aa      -1.280437               1.0  
497  d_ai_aa      -1.188719               1.0  
498  d_ai_aa         -1.097               1.0  
499  d_ai_aa      -1.005282               1.0  
500  d_ai_aa      -0.913563               1.0  
501  d_ai_aa      -0.821845               1.0  
502  d_ai_aa      -0.730127               1.0  
503  d_ai_aa      -0.638408               1.0  
504  d_ai_aa       -0.54669               1.0  
505  d_ai_aa      -0.454971               1.0  
506  d_ai_aa      -0.363253               1.0  
507  d_ai_aa      -0.271535               1.0  
508  d_ai_aa      -0.179816               1.0  
509  d_ai_aa      -0.088098          0.999798  
510  d_ai_aa        0.00362          0.999798  
511  d_ai_aa       0.095339          0.996572  
512  d_ai_aa       0.187057          0.983868  
513  d_ai_aa       0.278776          0.951401  
514  d_ai_aa       0.370494          0.874975  
515  d_ai_aa          0.518           0.68905  
516  d_ai_aa       0.553931          0.641057  
517  d_ai_aa       0.645649          0.518653  
518  d_ai_aa       0.737368          0.414801  
519  d_ai_aa       0.829086          0.319621  
520  d_ai_aa       0.920804          0.236741  
521  d_ai_aa       1.012523           0.17443  
522  d_ai_aa       1.104241           0.12926  
523  d_ai_aa        1.19596          0.092962  
524  d_ai_aa       1.287678          0.068764  
525  d_ai_aa       1.379396          0.049002  
526  d_ai_aa       1.471115          0.031861  
527  d_ai_aa       1.562833          0.023392  
528  d_ai_aa       1.654551          0.014922  
529  d_ai_aa        1.74627          0.009074  
530  d_ai_aa       1.837988          0.005243  
531  d_ai_aa       1.929707          0.003428  
532  d_ai_aa       2.021425          0.002017  
533  d_ai_aa       2.113143           0.00121  
534  d_ai_aa       2.204862          0.000807  
535  d_ai_aa        2.29658          0.000605  
536  d_ai_aa       2.388299          0.000605  
537  d_ai_aa       2.480017          0.000403  
538  d_ai_aa       2.571735          0.000403  
539  d_ai_aa       2.663454          0.000403  
540  d_ai_aa       2.755172          0.000202  
541  d_ai_aa        2.84689               0.0  
542  d_ai_aa       2.938609               0.0  
543  d_ai_aa       3.030327               0.0  
544  d_ai_aa       3.122046               0.0  
545  d_ai_aa       3.213764               0.0  
546  d_ai_aa       3.305482               0.0  
547  d_ai_aa       3.397201               0.0  
548  d_ai_aa       3.488919               0.0  
549  d_ai_aa       3.580638               0.0  
550  d_ai_aa       3.672356               0.0  
551  d_ai_aa       3.764074               0.0  
552  d_ai_aa       3.855793               0.0  
553  d_ai_aa       3.947511               0.0  
554  d_ai_aa        4.03923               0.0  
555  d_ai_aa       4.130948               0.0  
556  d_ai_aa       4.222666               0.0  
557  d_ai_aa       4.314385               0.0  
558  d_ai_aa       4.406103               0.0  
559  d_ai_aa       4.497821               0.0  
560  d_ai_aa        4.58954               0.0  
561  d_ai_aa       4.681258               0.0  
562  d_ai_aa       4.772977               0.0  
563  d_ai_aa       4.864695               0.0  
564  d_ai_aa       4.956413               0.0  
565  d_ai_aa       5.048132               0.0  
566  d_ai_aa        5.13985               0.0  
567  d_ai_aa       5.231569               0.0  
568  d_ai_aa       5.323287               0.0  
569  d_ai_aa       5.415005               0.0  
570  d_ai_aa       5.506724               0.0  
571  d_ai_aa       5.598442               0.0  
572  d_ai_aa        5.69016               0.0  
573  d_ai_aa       5.781879               0.0  
574  d_ai_aa       5.873597               0.0  
575  d_ai_aa       5.965316               0.0  
576  d_ai_aa       6.057034               0.0  
577  d_ai_aa       6.148752               0.0  
578  d_ai_aa       6.240471               0.0  
579  d_ai_aa       6.332189               0.0  
580  d_ai_aa       6.423908               0.0  
581  d_ai_aa       6.515626               0.0  
582  d_ai_aa       6.607344               0.0  
583  d_ai_aa       6.699063               0.0  
584  d_ai_aa       6.790781               0.0  
585  d_ai_aa         6.8825               0.0  
586  d_ai_aa       6.974218               0.0  
587  d_ai_bb      -4.765736               1.0  
588  d_ai_bb      -4.674017               1.0  
589  d_ai_bb      -4.582299               1.0  
590  d_ai_bb       -4.49058               1.0  
591  d_ai_bb      -4.398862               1.0  
592  d_ai_bb      -4.307144               1.0  
593  d_ai_bb      -4.215425               1.0  
594  d_ai_bb      -4.123707               1.0  
595  d_ai_bb      -4.031989               1.0  
596  d_ai_bb       -3.94027               1.0  
597  d_ai_bb      -3.848552               1.0  
598  d_ai_bb      -3.756833               1.0  
599  d_ai_bb      -3.665115               1.0  
600  d_ai_bb      -3.573397               1.0  
601  d_ai_bb      -3.481678               1.0  
602  d_ai_bb       -3.38996               1.0  
603  d_ai_bb      -3.298241               1.0  
604  d_ai_bb      -3.206523               1.0  
605  d_ai_bb      -3.114805               1.0  
606  d_ai_bb      -3.023086               1.0  
607  d_ai_bb      -2.931368               1.0  
608  d_ai_bb       -2.83965               1.0  
609  d_ai_bb      -2.747931               1.0  
610  d_ai_bb      -2.656213               1.0  
611  d_ai_bb      -2.564494               1.0  
612  d_ai_bb      -2.472776               1.0  
613  d_ai_bb      -2.381058               1.0  
614  d_ai_bb      -2.289339               1.0  
615  d_ai_bb      -2.197621               1.0  
616  d_ai_bb      -2.105902               1.0  
617  d_ai_bb      -2.014184               1.0  
618  d_ai_bb      -1.922466               1.0  
619  d_ai_bb      -1.830747               1.0  
620  d_ai_bb      -1.739029               1.0  
621  d_ai_bb       -1.64731               1.0  
622  d_ai_bb      -1.555592               1.0  
623  d_ai_bb      -1.463874               1.0  
624  d_ai_bb      -1.372155               1.0  
625  d_ai_bb      -1.280437               1.0  
626  d_ai_bb      -1.188719               1.0  
627  d_ai_bb         -1.097               1.0  
628  d_ai_bb      -1.005282               1.0  
629  d_ai_bb      -0.913563               1.0  
630  d_ai_bb      -0.821845               1.0  
631  d_ai_bb      -0.730127               1.0  
632  d_ai_bb      -0.638408               1.0  
633  d_ai_bb       -0.54669               1.0  
634  d_ai_bb      -0.454971               1.0  
635  d_ai_bb      -0.363253               1.0  
636  d_ai_bb      -0.271535               1.0  
637  d_ai_bb      -0.179816               1.0  
638  d_ai_bb      -0.088098               1.0  
639  d_ai_bb        0.00362               1.0  
640  d_ai_bb       0.095339          0.997685  
641  d_ai_bb       0.187057          0.994599  
642  d_ai_bb       0.278776          0.984568  
643  d_ai_bb       0.370494          0.957176  
644  d_ai_bb          0.518          0.828318  
645  d_ai_bb       0.553931          0.787809  
646  d_ai_bb       0.645649          0.654321  
647  d_ai_bb       0.737368          0.534722  
648  d_ai_bb       0.829086          0.419367  
649  d_ai_bb       0.920804          0.311343  
650  d_ai_bb       1.012523           0.23534  
651  d_ai_bb       1.104241          0.175926  
652  d_ai_bb        1.19596          0.129244  
653  d_ai_bb       1.287678          0.096065  
654  d_ai_bb       1.379396          0.070216  
655  d_ai_bb       1.471115           0.04591  
656  d_ai_bb       1.562833          0.034722  
657  d_ai_bb       1.654551          0.022377  
658  d_ai_bb        1.74627          0.013117  
659  d_ai_bb       1.837988          0.008873  
660  d_ai_bb       1.929707          0.006173  
661  d_ai_bb       2.021425          0.003858  
662  d_ai_bb       2.113143          0.002315  
663  d_ai_bb       2.204862          0.001543  
664  d_ai_bb        2.29658          0.001157  
665  d_ai_bb       2.388299          0.001157  
666  d_ai_bb       2.480017          0.000772  
667  d_ai_bb       2.571735          0.000772  
668  d_ai_bb       2.663454          0.000772  
669  d_ai_bb       2.755172          0.000386  
670  d_ai_bb        2.84689               0.0  
671  d_ai_bb       2.938609               0.0  
672  d_ai_bb       3.030327               0.0  
673  d_ai_bb       3.122046               0.0  
674  d_ai_bb       3.213764               0.0  
675  d_ai_bb       3.305482               0.0  
676  d_ai_bb       3.397201               0.0  
677  d_ai_bb       3.488919               0.0  
678  d_ai_bb       3.580638               0.0  
679  d_ai_bb       3.672356               0.0  
680  d_ai_bb       3.764074               0.0  
681  d_ai_bb       3.855793               0.0  
682  d_ai_bb       3.947511               0.0  
683  d_ai_bb        4.03923               0.0  
684  d_ai_bb       4.130948               0.0  
685  d_ai_bb       4.222666               0.0  
686  d_ai_bb       4.314385               0.0  
687  d_ai_bb       4.406103               0.0  
688  d_ai_bb       4.497821               0.0  
689  d_ai_bb        4.58954               0.0  
690  d_ai_bb       4.681258               0.0  
691  d_ai_bb       4.772977               0.0  
692  d_ai_bb       4.864695               0.0  
693  d_ai_bb       4.956413               0.0  
694  d_ai_bb       5.048132               0.0  
695  d_ai_bb        5.13985               0.0  
696  d_ai_bb       5.231569               0.0  
697  d_ai_bb       5.323287               0.0  
698  d_ai_bb       5.415005               0.0  
699  d_ai_bb       5.506724               0.0  
700  d_ai_bb       5.598442               0.0  
701  d_ai_bb        5.69016               0.0  
702  d_ai_bb       5.781879               0.0  
703  d_ai_bb       5.873597               0.0  
704  d_ai_bb       5.965316               0.0  
705  d_ai_bb       6.057034               0.0  
706  d_ai_bb       6.148752               0.0  
707  d_ai_bb       6.240471               0.0  
708  d_ai_bb       6.332189               0.0  
709  d_ai_bb       6.423908               0.0  
710  d_ai_bb       6.515626               0.0  
711  d_ai_bb       6.607344               0.0  
712  d_ai_bb       6.699063               0.0  
713  d_ai_bb       6.790781               0.0  
714  d_ai_bb         6.8825               0.0  
715  d_ai_bb       6.974218               0.0  
#
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  visualanalysis  0.0.1.dev43                                                           Y  
3  percentiles     "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
4  chimera         1.16                                                                  Y  
5  mapq            1.8.1                                                                 Y  
##
