data_7U9W

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7U9W
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7U9W
_pdbx_vrpt_summary.PDB_deposition_date         2022-03-11
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-10-25
_pdbx_vrpt_summary.report_creation_date        2023-10-15:20:39
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "Gametocyte surface protein P230"  
2  polymer  230AS-88  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.79  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   50.53  141614     ?     ?  
 2  2  1   74.95    3569  2.80  2.80  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3498  2.80  2.80  
 5  1  3   85.93  138945     ?     ?  
 6  2  3   95.80    3500  2.80  2.80  
 7  1  4    3.12  127900     ?     ?  
 8  2  4    1.79    3078  2.80  2.80  
 9  1  5   27.11  130704     ?     ?  
10  2  5   61.16    3140  2.80  2.80  
#
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   85.93  
 4  6  3  A  1  1  A   95.80  
 5  7  4  A  1  1  A    0.32  
 6  8  4  A  1  1  A    0.23  
 7  3  2  B  1  2  H  100.00  
 8  4  2  B  1  2  H  100.00  
 9  5  3  B  1  2  H   88.33  
10  6  3  B  1  2  H   96.26  
11  7  4  B  1  2  H   34.81  
12  8  4  B  1  2  H   25.47  
#
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  0.47  0.25  1392  1883  
2  1  2  B  H  0.52  0.28  1795  2432  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.57
_pdbx_vrpt_summary_geometry.clashscore                     5.65
_pdbx_vrpt_summary_geometry.num_H_reduce                   3079
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 3187
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.27
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                4315
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.50
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            43.737
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         70.172
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.73(2.79A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        13052
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.337
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.509
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.343
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.938
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.79
_pdbx_vrpt_summary_diffraction.EDS_res_low               19.56
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[48.846,84.060,92.088,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.577
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.10% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         2
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.62
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      653
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     12.94
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.79
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        19.56
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   21  LEU  A  562  .  ?        1  
  2  1  1  A   22  SER  A  563  .  ?        1  
  3  1  1  A   23  TYR  A  564  .  ?        ?  
  4  1  1  A   24  GLU  A  565  .  ?        ?  
  5  1  1  A   25  THR  A  566  .  ?        ?  
  6  1  1  A   26  THR  A  567  .  ?        ?  
  7  1  1  A   27  GLU  A  568  .  ?        1  
  8  1  1  A   28  SER  A  569  .  ?        ?  
  9  1  1  A   29  GLY  A  570  .  ?        ?  
 10  1  1  A   30  ASP  A  571  .  ?        ?  
 11  1  1  A   31  THR  A  572  .  ?        ?  
 12  1  1  A   32  ALA  A  573  .  ?        ?  
 13  1  1  A   33  VAL  A  574  .  ?        ?  
 14  1  1  A   34  SER  A  575  .  ?        ?  
 15  1  1  A   35  GLU  A  576  .  ?        ?  
 16  1  1  A   36  ASP  A  577  .  ?        ?  
 17  1  1  A   37  SER  A  578  .  ?        ?  
 18  1  1  A   38  TYR  A  579  .  ?        ?  
 19  1  1  A   39  ASP  A  580  .  ?        ?  
 20  1  1  A   40  LYS  A  581  .  ?        ?  
 21  1  1  A   41  TYR  A  582  .  ?        ?  
 22  1  1  A   42  ALA  A  583  .  ?        ?  
 23  1  1  A   43  SER  A  584  .  ?        ?  
 24  1  1  A   44  GLN  A  585  .  ?        ?  
 25  1  1  A   45  ASN  A  586  .  ?        ?  
 26  1  1  A   46  THR  A  587  .  ?        ?  
 27  1  1  A   47  ASN  A  588  .  ?        ?  
 28  1  1  A   48  LYS  A  589  .  ?        ?  
 29  1  1  A   49  GLU  A  590  .  ?        ?  
 30  1  1  A   50  TYR  A  591  .  ?        ?  
 31  1  1  A   51  VAL  A  592  .  ?        ?  
 32  1  1  A   52  CYS  A  593  .  ?        ?  
 33  1  1  A   53  ASP  A  594  .  ?        ?  
 34  1  1  A   54  PHE  A  595  .  ?        ?  
 35  1  1  A   55  THR  A  596  .  ?        ?  
 36  1  1  A   56  ASP  A  597  .  ?        ?  
 37  1  1  A   57  GLN  A  598  .  ?        ?  
 38  1  1  A   58  LEU  A  599  .  ?        ?  
 39  1  1  A   59  LYS  A  600  .  ?        ?  
 40  1  1  A   60  PRO  A  601  .  ?        ?  
 41  1  1  A   61  THR  A  602  .  ?        ?  
 42  1  1  A   62  GLU  A  603  .  ?        ?  
 43  1  1  A   63  SER  A  604  .  ?        ?  
 44  1  1  A   64  GLY  A  605  .  ?        ?  
 45  1  1  A   65  PRO  A  606  .  ?        ?  
 46  1  1  A   66  LYS  A  607  .  ?        ?  
 47  1  1  A   67  VAL  A  608  .  ?        ?  
 48  1  1  A   68  LYS  A  609  .  ?        ?  
 49  1  1  A   69  LYS  A  610  .  ?        ?  
 50  1  1  A   70  CYS  A  611  .  ?        ?  
 51  1  1  A   71  GLU  A  612  .  ?        ?  
 52  1  1  A   72  VAL  A  613  .  ?        ?  
 53  1  1  A   73  LYS  A  614  .  ?        ?  
 54  1  1  A   74  VAL  A  615  .  ?        ?  
 55  1  1  A   75  ASN  A  616  .  ?        ?  
 56  1  1  A   76  GLU  A  617  .  ?        ?  
 57  1  1  A   77  PRO  A  618  .  ?        ?  
 58  1  1  A   78  LEU  A  619  .  ?        ?  
 59  1  1  A   79  ILE  A  620  .  ?        ?  
 60  1  1  A   80  LYS  A  621  .  ?        ?  
 61  1  1  A   81  VAL  A  622  .  ?        ?  
 62  1  1  A   82  LYS  A  623  .  ?        ?  
 63  1  1  A   83  ILE  A  624  .  ?        ?  
 64  1  1  A   84  ILE  A  625  .  ?        ?  
 65  1  1  A   85  CYS  A  626  .  ?        ?  
 66  1  1  A   86  PRO  A  627  .  ?        ?  
 67  1  1  A   87  LEU  A  628  .  ?        ?  
 68  1  1  A   88  LYS  A  629  .  ?        1  
 69  1  1  A   89  GLY  A  630  .  ?        ?  
 70  1  1  A   90  SER  A  631  .  ?        ?  
 71  1  1  A   91  VAL  A  632  .  ?        ?  
 72  1  1  A   92  GLU  A  633  .  ?        1  
 73  1  1  A   93  LYS  A  634  .  ?        ?  
 74  1  1  A   94  LEU  A  635  .  ?        ?  
 75  1  1  A   95  TYR  A  636  .  ?        ?  
 76  1  1  A   96  ASP  A  637  .  ?        ?  
 77  1  1  A   97  ASN  A  638  .  ?        ?  
 78  1  1  A   98  ILE  A  639  .  ?        ?  
 79  1  1  A   99  GLU  A  640  .  ?        ?  
 80  1  1  A  100  TYR  A  641  .  ?        ?  
 81  1  1  A  101  VAL  A  642  .  ?        ?  
 82  1  1  A  102  PRO  A  643  .  ?        ?  
 83  1  1  A  103  LYS  A  644  .  ?        ?  
 84  1  1  A  104  LYS  A  645  .  ?        ?  
 85  1  1  A  105  SER  A  646  .  ?        ?  
 86  1  1  A  106  PRO  A  647  .  ?        ?  
 87  1  1  A  107  TYR  A  648  .  ?        ?  
 88  1  1  A  108  VAL  A  649  .  ?        ?  
 89  1  1  A  109  VAL  A  650  .  ?        1  
 90  1  1  A  110  LEU  A  651  .  ?        ?  
 91  1  1  A  111  THR  A  652  .  ?        ?  
 92  1  1  A  112  LYS  A  653  .  ?        ?  
 93  1  1  A  113  GLU  A  654  .  ?        ?  
 94  1  1  A  114  GLU  A  655  .  ?        ?  
 95  1  1  A  115  THR  A  656  .  ?        ?  
 96  1  1  A  116  LYS  A  657  .  ?        ?  
 97  1  1  A  117  LEU  A  658  .  ?        ?  
 98  1  1  A  118  LYS  A  659  .  ?        ?  
 99  1  1  A  119  GLU  A  660  .  ?        ?  
100  1  1  A  120  LYS  A  661  .  ?        ?  
101  1  1  A  121  LEU  A  662  .  ?        ?  
102  1  1  A  122  LEU  A  663  .  ?        3  
103  1  1  A  123  SER  A  664  .  ?        ?  
104  1  1  A  124  LYS  A  665  .  ?        ?  
105  1  1  A  125  LEU  A  666  .  ?        ?  
106  1  1  A  126  ILE  A  667  .  ?        ?  
107  1  1  A  127  TYR  A  668  .  ?        ?  
108  1  1  A  128  GLY  A  669  .  ?        ?  
109  1  1  A  129  LEU  A  670  .  ?        3  
110  1  1  A  130  LEU  A  671  .  ?        ?  
111  1  1  A  131  ILE  A  672  .  ?        ?  
112  1  1  A  132  SER  A  673  .  ?        ?  
113  1  1  A  133  PRO  A  674  .  ?        ?  
114  1  1  A  134  THR  A  675  .  ?        ?  
115  1  1  A  135  VAL  A  676  .  ?        ?  
116  1  1  A  136  ASN  A  677  .  ?        ?  
117  1  1  A  137  GLU  A  678  .  ?        ?  
118  1  1  A  138  LYS  A  679  .  ?        ?  
119  1  1  A  139  GLU  A  680  .  ?        ?  
120  1  1  A  140  ASN  A  681  .  ?        ?  
121  1  1  A  141  ASN  A  682  .  ?        ?  
122  1  1  A  142  PHE  A  683  .  ?        ?  
123  1  1  A  143  LYS  A  684  .  ?        ?  
124  1  1  A  144  GLU  A  685  .  ?        ?  
125  1  1  A  145  GLY  A  686  .  ?        ?  
126  1  1  A  146  VAL  A  687  .  ?        ?  
127  1  1  A  147  ILE  A  688  .  ?        ?  
128  1  1  A  148  GLU  A  689  .  ?        ?  
129  1  1  A  149  PHE  A  690  .  ?        ?  
130  1  1  A  150  THR  A  691  .  ?        1  
131  1  1  A  151  LEU  A  692  .  ?        ?  
132  1  1  A  152  PRO  A  693  .  ?        ?  
133  1  1  A  153  PRO  A  694  .  ?        ?  
134  1  1  A  154  VAL  A  695  .  ?        ?  
135  1  1  A  155  VAL  A  696  .  ?        ?  
136  1  1  A  156  HIS  A  697  .  ?        ?  
137  1  1  A  157  LYS  A  698  .  ?        ?  
138  1  1  A  158  ALA  A  699  .  ?        ?  
139  1  1  A  159  THR  A  700  .  ?        ?  
140  1  1  A  160  VAL  A  701  .  ?        1  
141  1  1  A  161  PHE  A  702  .  ?        ?  
142  1  1  A  162  TYR  A  703  .  ?        ?  
143  1  1  A  163  PHE  A  704  .  ?        ?  
144  1  1  A  164  ILE  A  705  .  ?        ?  
145  1  1  A  165  CYS  A  706  .  ?        ?  
146  1  1  A  166  ASP  A  707  .  ?        ?  
147  1  1  A  167  ASN  A  708  .  ?        ?  
148  1  1  A  168  SER  A  709  .  ?        ?  
149  1  1  A  169  LYS  A  710  .  ?        ?  
150  1  1  A  170  THR  A  711  .  ?        ?  
151  1  1  A  171  GLU  A  712  .  ?        ?  
152  1  1  A  172  ASP  A  713  .  ?        ?  
153  1  1  A  173  ASP  A  714  .  ?        ?  
154  1  1  A  174  ASN  A  715  .  ?        ?  
155  1  1  A  175  LYS  A  716  .  ?        ?  
156  1  1  A  176  LYS  A  717  .  ?        ?  
157  1  1  A  177  GLY  A  718  .  ?        ?  
158  1  1  A  178  ASN  A  719  .  ?        ?  
159  1  1  A  179  ARG  A  720  .  ?        1  
160  1  1  A  180  GLY  A  721  .  ?        ?  
161  1  1  A  181  ILE  A  722  .  ?        ?  
162  1  1  A  182  VAL  A  723  .  ?        ?  
163  1  1  A  183  GLU  A  724  .  ?        ?  
164  1  1  A  184  VAL  A  725  .  ?        ?  
165  1  1  A  185  TYR  A  726  .  ?        1  
166  1  1  A  186  VAL  A  727  .  ?        ?  
167  1  1  A  187  GLU  A  728  .  ?        ?  
168  1  1  A  188  PRO  A  729  .  ?        ?  
169  1  1  A  189  TYR  A  730  .  ?        ?  
170  1  1  A  190  GLY  A  731  .  ?        ?  
171  1  1  A  191  ASN  A  732  .  ?        ?  
172  1  2  B    3  GLU  H    1  .  ?        ?  
173  1  2  B    4  VAL  H    2  .  ?        ?  
174  1  2  B    5  GLN  H    3  .  ?        ?  
175  1  2  B    6  LEU  H    4  .  ?        ?  
176  1  2  B    7  VAL  H    5  .  ?        ?  
177  1  2  B    8  GLU  H    6  .  ?        ?  
178  1  2  B    9  SER  H    7  .  ?        ?  
179  1  2  B   10  GLY  H    8  .  ?        ?  
180  1  2  B   11  GLY  H    9  .  ?        ?  
181  1  2  B   12  GLY  H   10  .  ?        ?  
182  1  2  B   13  LEU  H   11  .  ?        ?  
183  1  2  B   14  VAL  H   12  .  ?        1  
184  1  2  B   15  LYS  H   13  .  ?        ?  
185  1  2  B   16  PRO  H   14  .  ?        ?  
186  1  2  B   17  GLY  H   15  .  ?        ?  
187  1  2  B   18  GLY  H   16  .  ?        ?  
188  1  2  B   19  SER  H   17  .  ?        ?  
189  1  2  B   20  LEU  H   18  .  ?        ?  
190  1  2  B   21  ARG  H   19  .  ?        ?  
191  1  2  B   22  LEU  H   20  .  ?        1  
192  1  2  B   23  SER  H   21  .  ?        ?  
193  1  2  B   24  CYS  H   22  .  ?        1  
194  1  2  B   25  ALA  H   23  .  ?        ?  
195  1  2  B   26  ALA  H   24  .  ?        ?  
196  1  2  B   27  SER  H   25  .  ?        ?  
197  1  2  B   28  GLY  H   26  .  ?        ?  
198  1  2  B   29  PHE  H   27  .  ?        ?  
199  1  2  B   30  ASN  H   28  .  ?        ?  
200  1  2  B   31  PHE  H   29  .  ?        ?  
201  1  2  B   32  ILE  H   30  .  ?        ?  
202  1  2  B   33  SER  H   31  .  ?        ?  
203  1  2  B   34  SER  H   32  .  ?        ?  
204  1  2  B   35  TYR  H   33  .  ?        1  
205  1  2  B   36  ILE  H   34  .  ?        ?  
206  1  2  B   37  SER  H   35  .  ?        ?  
207  1  2  B   38  TRP  H   36  .  ?        ?  
208  1  2  B   39  VAL  H   37  .  ?        ?  
209  1  2  B   40  ARG  H   38  .  ?        ?  
210  1  2  B   41  GLN  H   39  .  ?        ?  
211  1  2  B   42  ALA  H   40  .  ?        ?  
212  1  2  B   43  PRO  H   41  .  ?        ?  
213  1  2  B   44  GLY  H   42  .  ?        ?  
214  1  2  B   45  LYS  H   43  .  ?        ?  
215  1  2  B   46  GLY  H   44  .  ?        ?  
216  1  2  B   47  PRO  H   45  .  ?        ?  
217  1  2  B   48  GLU  H   46  .  ?        ?  
218  1  2  B   49  TRP  H   47  .  ?        ?  
219  1  2  B   50  VAL  H   48  .  ?        ?  
220  1  2  B   51  SER  H   49  .  ?        ?  
221  1  2  B   52  SER  H   50  .  ?        ?  
222  1  2  B   53  ILE  H   51  .  ?        ?  
223  1  2  B   54  THR  H   52  .  ?        ?  
224  1  2  B   55  SER  H   53  .  ?        ?  
225  1  2  B   56  THR  H   54  .  ?        ?  
226  1  2  B   57  SER  H   55  .  ?        ?  
227  1  2  B   58  THR  H   56  .  ?        ?  
228  1  2  B   59  ASP  H   57  .  ?        ?  
229  1  2  B   60  ILE  H   58  .  ?        ?  
230  1  2  B   61  HIS  H   59  .  ?        ?  
231  1  2  B   62  TYR  H   60  .  ?        ?  
232  1  2  B   63  ALA  H   61  .  ?        ?  
233  1  2  B   64  ASP  H   62  .  ?        ?  
234  1  2  B   65  SER  H   63  .  ?        ?  
235  1  2  B   66  VAL  H   64  .  ?        ?  
236  1  2  B   67  LYS  H   65  .  ?        ?  
237  1  2  B   68  GLY  H   66  .  ?        ?  
238  1  2  B   69  ARG  H   67  .  ?        ?  
239  1  2  B   70  PHE  H   68  .  ?        ?  
240  1  2  B   71  THR  H   69  .  ?        ?  
241  1  2  B   72  ILE  H   70  .  ?        ?  
242  1  2  B   73  SER  H   71  .  ?        ?  
243  1  2  B   74  ARG  H   72  .  ?        ?  
244  1  2  B   75  ASP  H   73  .  ?        ?  
245  1  2  B   76  ASN  H   74  .  ?        ?  
246  1  2  B   77  ALA  H   75  .  ?        ?  
247  1  2  B   78  LYS  H   76  .  ?        ?  
248  1  2  B   79  ALA  H   77  .  ?        ?  
249  1  2  B   80  SER  H   78  .  ?        1  
250  1  2  B   81  LEU  H   79  .  ?        ?  
251  1  2  B   82  PHE  H   80  .  ?        ?  
252  1  2  B   83  LEU  H   81  .  ?        ?  
253  1  2  B   84  GLN  H   82  .  ?        ?  
254  1  2  B   85  MET  H   83  .  ?        ?  
255  1  2  B   86  ASN  H   84  .  ?        ?  
256  1  2  B   87  SER  H   85  .  ?        ?  
257  1  2  B   88  LEU  H   86  .  ?        1  
258  1  2  B   89  ARG  H   87  .  ?        ?  
259  1  2  B   90  VAL  H   88  .  ?        ?  
260  1  2  B   91  GLU  H   89  .  ?        ?  
261  1  2  B   92  ASP  H   90  .  ?        ?  
262  1  2  B   93  THR  H   91  .  ?        ?  
263  1  2  B   94  GLY  H   92  .  ?        ?  
264  1  2  B   95  VAL  H   93  .  ?        ?  
265  1  2  B   96  TYR  H   94  .  ?        ?  
266  1  2  B   97  TYR  H   95  .  ?        ?  
267  1  2  B   98  CYS  H   96  .  ?        ?  
268  1  2  B   99  ALA  H   97  .  ?        ?  
269  1  2  B  100  ARG  H   98  .  ?        ?  
270  1  2  B  101  ARG  H   99  .  ?        2  
271  1  2  B  102  TYR  H  100  .  ?        1  
272  1  2  B  103  CYS  H  101  .  ?        ?  
273  1  2  B  104  ARG  H  102  .  ?        ?  
274  1  2  B  105  GLY  H  103  .  ?        ?  
275  1  2  B  106  GLY  H  104  .  ?        ?  
276  1  2  B  107  THR  H  105  .  ?        4  
277  1  2  B  108  CYS  H  106  .  ?        ?  
278  1  2  B  109  TYR  H  107  .  ?        ?  
279  1  2  B  110  LEU  H  108  .  ?        ?  
280  1  2  B  111  PHE  H  109  .  ?        ?  
281  1  2  B  112  ASP  H  110  .  ?        ?  
282  1  2  B  113  HIS  H  111  .  ?        ?  
283  1  2  B  114  TRP  H  112  .  ?        ?  
284  1  2  B  115  GLY  H  113  .  ?        ?  
285  1  2  B  116  GLN  H  114  .  ?        ?  
286  1  2  B  117  GLY  H  115  .  ?        ?  
287  1  2  B  118  THR  H  116  .  ?        3  
288  1  2  B  119  PRO  H  117  .  ?        ?  
289  1  2  B  120  VAL  H  118  .  ?        ?  
290  1  2  B  121  ILE  H  119  .  ?        ?  
291  1  2  B  122  VAL  H  120  .  ?        ?  
292  1  2  B  123  SER  H  121  .  ?        ?  
293  1  2  B  124  SER  H  122  .  ?        ?  
294  1  2  B  125  GLY  H  123  .  ?        ?  
295  1  2  B  144  SER  H  142  .  ?        ?  
296  1  2  B  145  ASP  H  143  .  ?        ?  
297  1  2  B  146  ILE  H  144  .  ?        1  
298  1  2  B  147  GLN  H  145  .  ?        ?  
299  1  2  B  148  MET  H  146  .  ?        ?  
300  1  2  B  149  THR  H  147  .  ?        ?  
301  1  2  B  150  GLN  H  148  .  ?        1  
302  1  2  B  151  SER  H  149  .  ?        ?  
303  1  2  B  152  PRO  H  150  .  ?        ?  
304  1  2  B  153  SER  H  151  .  ?        ?  
305  1  2  B  154  SER  H  152  .  ?        ?  
306  1  2  B  155  VAL  H  153  .  ?        ?  
307  1  2  B  156  SER  H  154  .  ?        ?  
308  1  2  B  157  ALA  H  155  .  ?        ?  
309  1  2  B  158  SER  H  156  .  ?        ?  
310  1  2  B  159  VAL  H  157  .  ?        ?  
311  1  2  B  160  GLY  H  158  .  ?        ?  
312  1  2  B  161  ASP  H  159  .  ?        ?  
313  1  2  B  162  ARG  H  160  .  ?        ?  
314  1  2  B  163  VAL  H  161  .  ?        ?  
315  1  2  B  164  THR  H  162  .  ?        ?  
316  1  2  B  165  ILE  H  163  .  ?        ?  
317  1  2  B  166  THR  H  164  .  ?        ?  
318  1  2  B  167  CYS  H  165  .  ?        ?  
319  1  2  B  168  ARG  H  166  .  ?        ?  
320  1  2  B  169  ALA  H  167  .  ?        ?  
321  1  2  B  170  SER  H  168  .  ?        ?  
322  1  2  B  171  GLN  H  169  .  ?        ?  
323  1  2  B  172  ALA  H  170  .  ?        ?  
324  1  2  B  173  ILE  H  171  .  ?        ?  
325  1  2  B  174  SER  H  172  .  ?        ?  
326  1  2  B  175  SER  H  173  .  ?        ?  
327  1  2  B  176  TRP  H  174  .  ?        2  
328  1  2  B  177  LEU  H  175  .  ?        2  
329  1  2  B  178  ALA  H  176  .  ?        2  
330  1  2  B  179  TRP  H  177  .  ?        1  
331  1  2  B  180  TYR  H  178  .  ?        1  
332  1  2  B  181  GLN  H  179  .  ?        ?  
333  1  2  B  182  GLN  H  180  .  ?        ?  
334  1  2  B  183  LYS  H  181  .  ?        ?  
335  1  2  B  184  PRO  H  182  .  ?        1  
336  1  2  B  185  GLY  H  183  .  ?        ?  
337  1  2  B  186  LYS  H  184  .  ?        ?  
338  1  2  B  187  ALA  H  185  .  ?        ?  
339  1  2  B  188  PRO  H  186  .  ?        ?  
340  1  2  B  189  LYS  H  187  .  ?        ?  
341  1  2  B  190  LEU  H  188  .  ?        5  
342  1  2  B  191  LEU  H  189  .  ?        ?  
343  1  2  B  192  ILE  H  190  .  ?        2  
344  1  2  B  193  TYR  H  191  .  ?        ?  
345  1  2  B  194  GLY  H  192  .  ?        1  
346  1  2  B  195  ALA  H  193  .  ?        1  
347  1  2  B  196  SER  H  194  .  ?        ?  
348  1  2  B  197  SER  H  195  .  ?        ?  
349  1  2  B  198  LEU  H  196  .  ?        1  
350  1  2  B  199  GLU  H  197  .  ?        ?  
351  1  2  B  200  SER  H  198  .  ?        ?  
352  1  2  B  201  GLY  H  199  .  ?        ?  
353  1  2  B  202  VAL  H  200  .  ?        ?  
354  1  2  B  203  PRO  H  201  .  ?        ?  
355  1  2  B  204  SER  H  202  A  ?        ?  
356  1  2  B  205  ARG  H  203  .  ?        1  
357  1  2  B  206  PHE  H  204  .  ?        ?  
358  1  2  B  207  SER  H  205  .  ?        ?  
359  1  2  B  208  GLY  H  206  .  ?        ?  
360  1  2  B  209  SER  H  207  .  ?        ?  
361  1  2  B  210  GLY  H  208  .  ?        ?  
362  1  2  B  211  SER  H  209  .  ?        ?  
363  1  2  B  212  GLY  H  210  .  ?        ?  
364  1  2  B  213  THR  H  211  .  ?        ?  
365  1  2  B  214  ASP  H  212  .  ?        ?  
366  1  2  B  215  PHE  H  213  .  ?        2  
367  1  2  B  216  THR  H  214  .  ?        ?  
368  1  2  B  217  LEU  H  215  .  ?        ?  
369  1  2  B  218  THR  H  216  .  ?        ?  
370  1  2  B  219  ILE  H  217  .  ?        1  
371  1  2  B  220  ASN  H  218  .  ?        ?  
372  1  2  B  221  SER  H  219  .  ?        1  
373  1  2  B  222  LEU  H  220  .  ?        2  
374  1  2  B  223  GLN  H  221  .  ?        ?  
375  1  2  B  224  PRO  H  222  .  ?        ?  
376  1  2  B  225  GLU  H  223  .  ?        ?  
377  1  2  B  226  ASP  H  224  .  ?        ?  
378  1  2  B  227  PHE  H  225  .  ?        3  
379  1  2  B  228  ALA  H  226  .  ?        ?  
380  1  2  B  229  THR  H  227  .  ?        ?  
381  1  2  B  230  TYR  H  228  .  ?        1  
382  1  2  B  231  TYR  H  229  .  ?        ?  
383  1  2  B  232  CYS  H  230  .  ?        ?  
384  1  2  B  233  GLN  H  231  .  ?        1  
385  1  2  B  234  GLN  H  232  .  ?        ?  
386  1  2  B  235  ALA  H  233  .  ?        1  
387  1  2  B  236  ALA  H  234  .  ?        ?  
388  1  2  B  237  ARG  H  235  .  ?        ?  
389  1  2  B  238  PHE  H  236  .  ?        ?  
390  1  2  B  239  PRO  H  237  .  ?        ?  
391  1  2  B  240  ILE  H  238  .  ?        ?  
392  1  2  B  241  THR  H  239  .  ?        1  
393  1  2  B  242  PHE  H  240  .  ?        ?  
394  1  2  B  243  GLY  H  241  .  ?        ?  
395  1  2  B  244  GLN  H  242  .  ?        ?  
396  1  2  B  245  GLY  H  243  .  ?        ?  
397  1  2  B  246  THR  H  244  .  ?        ?  
398  1  2  B  247  ARG  H  245  .  ?        ?  
399  1  2  B  248  LEU  H  246  .  ?        ?  
400  1  2  B  249  GLU  H  247  A  ?        2  
401  1  2  B  250  ILE  H  248  .  ?        1  
402  1  2  B  251  LYS  H  249  .  ?        ?  
403  1  3  C    .  HOH  A  801  .  ?        ?  
404  1  3  C    .  HOH  A  802  .  ?        ?  
405  1  3  C    .  HOH  A  803  .  ?        ?  
406  1  3  C    .  HOH  A  804  .  ?        ?  
407  1  3  D    .  HOH  H  301  .  ?        ?  
408  1  3  D    .  HOH  H  302  .  ?        ?  
409  1  3  D    .  HOH  H  303  .  ?        ?  
410  1  3  D    .  HOH  H  304  .  ?        ?  
411  1  3  D    .  HOH  H  305  .  ?        ?  
#
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.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  mt            ?       ?  ?        ?       10  126.970     8  0.20    11  0.30  molprobity  1.000  
  2    2  p          65.2    27.7  Favored  ?        5  135.350     6  0.39     8  0.29  molprobity  1.000  
  3    3  t80       -81.9   145.0  Favored  ?        9  130.760    13  0.27    18  0.32  molprobity  1.000  
  4    4  mp0      -132.1   130.6  Favored  ?        6  141.520     9  0.28    12  0.38  molprobity  1.000  
  5    5  t        -153.0  -171.7  Favored  ?        7  152.200     7  0.20    10  0.58  molprobity  1.000  
  6    6  p        -137.1   165.9  Favored  ?        7  200.220     7  0.20    10  0.65  molprobity  1.000  
  7    7  mt-10     -59.7   -50.4  Favored  ?        6  179.010     9  0.22    12  0.37  molprobity  1.000  
  8    8  m         -72.9   -43.2  Favored  ?        5  238.530     6  0.21     8  0.53  molprobity  1.000  
  9    9  ?          59.7  -131.1  Favored  ?        3  298.380     4  0.19     5  0.50  molprobity  1.000  
 10   10  m-20      -90.4    -5.1  Favored  ?        4  268.210     8  0.17    11  0.49  molprobity  1.000  
 11   11  p         -62.9   -27.7  Favored  ?        7  271.720     7  0.18    10  0.49  molprobity  1.000  
 12   12  ?          61.0    53.3  Favored  ?        5  282.410     5  0.26     7  0.58  molprobity  1.000  
 13   13  t        -130.5   149.6  Favored  ?        9  326.570     7  0.22    10  0.45  molprobity  1.000  
 14   14  p        -101.4   163.9  Favored  ?        5  249.590     6  0.22     8  0.46  molprobity  1.000  
 15   15  tt0       -66.5   -29.9  Favored  ?        6  252.510     9  0.23    12  0.28  molprobity  1.000  
 16   16  p30       -69.9   -28.6  Favored  ?        4  259.370     8  0.20    11  0.20  molprobity  1.000  
 17   17  m         -80.2   -14.1  Favored  ?        5  240.630     6  0.25     8  0.46  molprobity  1.000  
 18   18  m-30      -57.6   155.6  Favored  ?        9  242.280    13  0.26    18  0.61  molprobity  1.000  
 19   19  m-20     -106.7    95.3  Favored  ?        4  146.180     8  0.22    11  0.63  molprobity  1.000  
 20   20  mttp      -94.1   133.7  Favored  ?       13  153.640     9  0.25    11  0.35  molprobity  1.000  
 21   21  p90      -141.4   161.2  Favored  ?        9  107.750    13  0.19    18  0.40  molprobity  1.000  
 22   22  ?         -94.0   165.4  Favored  ?        5  107.070     5  0.28     7  0.49  molprobity  1.000  
 23   23  p         -73.5   150.2  Favored  ?        5  112.920     6  0.21     8  0.39  molprobity  1.000  
 24   24  tt0       -80.3    84.7  Favored  ?        8  133.650     9  0.29    12  0.63  molprobity  1.000  
 25   25  m-20      -66.0   132.4  Favored  ?        6  118.330     8  0.22    11  0.34  molprobity  1.000  
 26   26  m        -131.2    72.8  Allowed  ?        7  120.600     7  0.28    10  0.59  molprobity  1.000  
 27   27  t-20       66.3  -121.1  Allowed  ?        6  127.640     8  0.31    11  0.84  molprobity  1.000  
 28   28  mttt      -72.1   -24.9  Favored  ?       13  139.500     9  0.31    11  0.39  molprobity  1.000  
 29   29  tt0      -104.1   118.6  Favored  ?        6  121.870     9  0.20    12  0.32  molprobity  1.000  
 30   30  m-30      -92.0   147.8  Favored  ?        9  112.330    13  0.27    18  0.50  molprobity  1.000  
 31   31  t        -137.0   140.8  Favored  ?        9  103.290     7  0.17    10  0.47  molprobity  1.000  
 32   32  m        -125.6   108.0  Favored  ?        4   96.480     6  0.21     8  0.63  molprobity  1.000  
 33   33  t0       -108.2   126.3  Favored  ?        4  102.630     8  0.21    11  0.36  molprobity  1.000  
 34   34  m-85     -108.5    16.2  Favored  ?        9  105.550    12  0.37    16  0.27  molprobity  1.000  
 35   35  m         -56.4   -46.6  Favored  ?        7  121.140     7  0.19    10  0.49  molprobity  1.000  
 36   36  m-20     -105.8    -3.0  Favored  ?        4  122.150     8  0.17    11  0.44  molprobity  1.000  
 37   37  mm-40     -85.2   -16.8  Favored  ?        8  116.210     9  0.26    12  0.52  molprobity  1.000  
 38   38  mt       -112.0     3.5  Favored  ?       11  101.940     8  0.21    11  0.53  molprobity  1.000  
 39   39  mttt      -60.0   145.4  Favored  ?       13  103.270     9  0.28    12  0.23  molprobity  1.000  
 40   40  Cg_exo    -62.1   127.8  Favored  ?        7  130.120     8  0.17    11  0.38  molprobity  1.000  
 41   41  p        -110.7   165.3  Favored  ?        7  123.970     7  0.18    10  0.64  molprobity  1.000  
 42   42  mt-10     -71.6   -33.8  Favored  ?        6  137.260     9  0.22    12  0.24  molprobity  1.000  
 43   43  m         -84.1     8.5  Favored  ?        5  125.520     6  0.26     8  0.55  molprobity  1.000  
 44   44  ?         -68.7   170.7  Favored  Y        3  129.260     4  0.49     6  0.53  molprobity  1.000  
 45   45  Cg_endo   -88.2   116.4  Favored  ?        7  127.410     8  0.15    11  0.27  molprobity  1.000  
 46   46  mmtt      -78.5  -177.0  Favored  ?       13  137.550     9  0.28    11  0.40  molprobity  1.000  
 47   47  t        -137.8   119.8  Favored  ?        9  172.180     7  0.22    10  0.50  molprobity  1.000  
 48   48  mmtt     -106.7   124.7  Favored  ?       13  137.170     9  0.26    11  0.40  molprobity  1.000  
 49   49  tttt     -118.9   114.3  Favored  ?       13  139.500     9  0.24    11  0.42  molprobity  1.000  
 50   50  t         -99.7   121.8  Favored  ?        4   99.560     6  0.23     8  0.41  molprobity  1.000  
 51   51  mt-10    -105.5   117.0  Favored  ?        6  114.540     9  0.26    12  0.38  molprobity  1.000  
 52   52  t        -105.9   119.0  Favored  ?        9   93.810     7  0.26    10  0.50  molprobity  1.000  
 53   53  mttt     -119.5   104.2  Favored  ?       13  104.070     9  0.30    11  0.48  molprobity  1.000  
 54   54  t        -100.3   115.2  Favored  ?        9   96.080     7  0.21    10  0.41  molprobity  1.000  
 55   55  p30      -121.3    17.1  Favored  ?        6   99.300     8  0.31    11  0.32  molprobity  1.000  
 56   56  pt-20    -144.8   164.7  Favored  ?        6  106.550     9  0.20    13  0.40  molprobity  1.000  
 57   57  Cg_exo    -81.4   159.3  Favored  ?        7  101.630     8  0.18    11  0.69  molprobity  1.000  
 58   58  mt         50.2    62.7  Favored  ?       11   99.190     8  0.21    11  0.52  molprobity  1.000  
 59   59  mm       -108.2   123.2  Favored  ?       11  107.850     8  0.26    11  0.46  molprobity  1.000  
 60   60  ttmt      -86.7   134.5  Favored  ?       13  125.960     9  0.26    11  0.32  molprobity  1.000  
 61   61  t        -114.4   125.5  Favored  ?        9   88.660     7  0.21    10  0.46  molprobity  1.000  
 62   62  tttt     -123.8   131.1  Favored  ?       13   95.840     9  0.24    11  0.42  molprobity  1.000  
 63   63  mt       -127.5   122.3  Favored  ?       11   80.360     8  0.22    11  0.49  molprobity  1.000  
 64   64  mt       -102.6   125.7  Favored  ?       11   93.340     8  0.23    11  0.40  molprobity  1.000  
 65   65  t        -131.3   113.6  Favored  ?        4   80.160     6  0.43     9  0.68  molprobity  1.000  
 66   66  Cg_endo   -59.8   155.7  Favored  ?        7   76.410     8  0.18    11  0.39  molprobity  1.000  
 67   67  mt       -103.4   164.7  Favored  ?       11   71.030     8  0.23    11  0.58  molprobity  1.000  
 68   68  tttt      -59.8   109.6  Allowed  ?       13   70.880     9  0.32    11  0.47  molprobity  1.000  
 69   69  ?          96.9    -7.6  Favored  ?        3   71.830     4  0.36     5  0.76  molprobity  1.000  
 70   70  p         -48.6   -47.2  Favored  ?        5   72.460     6  0.19     8  0.49  molprobity  1.000  
 71   71  t        -119.0   157.0  Favored  ?        9   79.510     7  0.26    10  0.70  molprobity  1.000  
 72   72  mt-10     -88.5   130.3  Favored  ?        6   82.120     9  0.24    12  0.64  molprobity  1.000  
 73   73  tttt       81.2   -13.6  Allowed  ?       13   97.470     9  0.27    11  0.68  molprobity  1.000  
 74   74  mt        -99.3    -4.7  Favored  ?       11   84.940     8  0.20    11  0.46  molprobity  1.000  
 75   75  m-85     -140.4    34.9  Allowed  ?        9   75.470    13  0.32    18  0.39  molprobity  1.000  
 76   76  m-20      -68.5   -50.7  Favored  ?        4   78.780     8  0.17    11  0.26  molprobity  1.000  
 77   77  m120      -96.8    36.7  Allowed  ?        6   92.540     8  0.29    11  0.33  molprobity  1.000  
 78   78  tt        -76.2   142.2  Favored  ?       11   80.480     8  0.24    11  0.37  molprobity  1.000  
 79   79  mt-10    -136.7   136.1  Favored  ?        6   89.220     9  0.21    12  0.48  molprobity  1.000  
 80   80  p90      -114.9   136.8  Favored  ?        9   71.400    13  0.27    18  0.31  molprobity  1.000  
 81   81  t        -135.9   135.6  Favored  Y        9   73.360     7  0.29    11  0.39  molprobity  1.000  
 82   82  Cg_exo    -74.0   147.9  Favored  ?        7   64.190     8  0.16    11  0.32  molprobity  1.000  
 83   83  mttt      -64.0   -24.0  Favored  ?       13   78.180     9  0.29    11  0.34  molprobity  1.000  
 84   84  mttt     -101.6    26.3  Favored  ?       13   82.260     9  0.29    11  0.32  molprobity  1.000  
 85   85  m         -61.7   152.9  Favored  Y        5   58.750     6  0.24     9  0.34  molprobity  1.000  
 86   86  Cg_endo   -85.2    -1.0  Favored  ?        7   65.840     8  0.16    11  0.28  molprobity  1.000  
 87   87  m-85      -64.8   -19.8  Favored  ?        9   72.880    13  0.32    18  0.26  molprobity  1.000  
 88   88  t        -127.1   136.1  Favored  ?        9   65.320     7  0.21    10  0.43  molprobity  1.000  
 89   89  m        -127.0  -170.9  Allowed  ?        9   70.400     7  0.23    10  0.37  molprobity  1.000  
 90   90  mt       -125.0   127.5  Favored  ?       11   85.910     8  0.22    11  0.36  molprobity  1.000  
 91   91  p        -114.3   160.4  Favored  ?        7  117.770     7  0.22    10  0.61  molprobity  1.000  
 92   92  mttt      -92.7    98.9  Favored  ?       13  137.130     9  0.28    11  0.45  molprobity  1.000  
 93   93  mm-40    -108.8   121.8  Favored  ?        6  140.680     9  0.23    12  0.45  molprobity  1.000  
 94   94  mt-10      62.3  -127.0  Allowed  ?        6  167.470     9  0.39    12  1.11  molprobity  1.000  
 95   95  p        -113.9     0.6  Favored  ?        7  180.090     7  0.20    10  0.58  molprobity  1.000  
 96   96  mttt     -102.5   138.7  Favored  ?       13  189.780     9  0.24    11  0.32  molprobity  1.000  
 97   97  mt        -77.2   142.3  Favored  ?       11  155.370     8  0.21    11  0.31  molprobity  1.000  
 98   98  mtpt     -135.1   165.5  Favored  ?       13  169.180     9  0.26    11  0.45  molprobity  1.000  
 99   99  mt-10     -91.2   141.1  Favored  ?        6   95.810     9  0.19    12  0.36  molprobity  1.000  
100  100  mttt     -145.7   143.9  Favored  ?       13   89.540     9  0.26    11  0.48  molprobity  1.000  
101  101  mt        -67.4   131.1  Favored  ?       11   70.580     8  0.22    11  0.31  molprobity  1.000  
102  102  tp        -69.9   -27.5  Favored  ?       11   75.800     8  0.22    11  0.42  molprobity  1.000  
103  103  p         -66.1   -33.0  Favored  ?        5   89.390     6  0.20     8  0.33  molprobity  1.000  
104  104  mttt      -63.3   -43.9  Favored  ?       13   83.620     9  0.29    11  0.33  molprobity  1.000  
105  105  mp        -61.7   -53.6  Favored  ?       11   87.240     8  0.23    11  0.32  molprobity  1.000  
106  106  mt       -122.5   130.6  Favored  ?       11   85.800     8  0.23    11  0.53  molprobity  1.000  
107  107  t80      -103.6   137.2  Favored  ?        9   90.020    13  0.36    18  0.42  molprobity  1.000  
108  108  ?          84.5    -3.2  Favored  ?        3   97.260     4  0.53     5  0.43  molprobity  1.000  
109  109  tp        -57.9   141.7  Favored  ?       11   96.520     8  0.21    11  0.35  molprobity  1.000  
110  110  tp       -124.8   116.8  Favored  ?       11  102.740     8  0.22    11  0.55  molprobity  1.000  
111  111  mt       -112.3   117.6  Favored  ?       11   93.170     8  0.26    11  0.47  molprobity  1.000  
112  112  t         -69.8   135.6  Favored  ?        5   90.570     6  0.17     9  0.27  molprobity  1.000  
113  113  Cg_exo    -62.3   -36.2  Favored  ?        7   84.230     8  0.28    11  0.28  molprobity  1.000  
114  114  p        -121.5   152.1  Favored  ?        7   92.160     7  0.25    10  0.65  molprobity  1.000  
115  115  t        -130.1   108.8  Favored  ?        9   98.700     7  0.28    10  0.53  molprobity  1.000  
116  116  m-20       59.9    43.5  Favored  ?        6  103.200     8  0.23    11  0.71  molprobity  1.000  
117  117  mt-10      75.1     0.1  Favored  ?        6  115.800     9  0.22    12  0.59  molprobity  1.000  
118  118  mttt     -119.7   161.9  Favored  ?       13  106.600     9  0.27    11  0.46  molprobity  1.000  
119  119  tt0       -55.7   147.6  Favored  ?        6   91.050     9  0.17    12  0.42  molprobity  1.000  
120  120  t-20      -84.5    87.4  Favored  ?        6   79.110     8  0.23    11  0.57  molprobity  1.000  
121  121  t-20     -162.3   144.2  Favored  ?        6   75.310     8  0.26    11  0.38  molprobity  1.000  
122  122  OUTLIER   -56.7   -20.9  Favored  ?        9   69.400    12  0.26    16  0.31  molprobity  1.000  
123  123  pttt      -65.1   -20.1  Favored  ?       13   82.060     9  0.23    11  0.31  molprobity  1.000  
124  124  mm-40    -107.7    17.1  Favored  ?        6   82.200     9  0.29    12  0.45  molprobity  1.000  
125  125  ?         106.1   -39.2  Favored  ?        3   73.470     4  0.26     5  0.51  molprobity  1.000  
126  126  p        -144.7   153.6  Favored  ?        9   75.830     7  0.20    10  0.46  molprobity  1.000  
127  127  pt       -131.8   149.7  Favored  ?       11   71.330     8  0.18    11  0.48  molprobity  1.000  
128  128  mt-10    -140.7   146.8  Favored  ?        6   91.740     9  0.18    12  0.48  molprobity  1.000  
129  129  p90      -152.3   144.4  Favored  ?        9   81.040    12  0.28    16  0.41  molprobity  1.000  
130  130  m        -110.4   113.5  Favored  ?        7   88.780     7  0.23    10  0.53  molprobity  1.000  
131  131  mt        -67.0   149.8  Favored  ?       11   87.060     8  0.28    12  0.28  molprobity  1.000  
132  132  Cg_endo   -73.7   176.4  Favored  ?        7   88.100     8  0.28    12  0.29  molprobity  1.000  
133  133  Cg_endo   -79.2    -8.4  Favored  ?        7   85.470     8  0.25    11  0.46  molprobity  1.000  
134  134  t        -140.0   121.2  Favored  ?        9   87.940     7  0.17    10  0.48  molprobity  1.000  
135  135  t        -120.6   124.5  Favored  ?        9   86.370     7  0.27    10  0.56  molprobity  1.000  
136  136  m170      -85.5   -32.9  Favored  ?        7   94.340    11  0.17    15  0.38  molprobity  1.000  
137  137  pttp     -144.3   145.5  Favored  ?       13  101.580     9  0.25    11  0.42  molprobity  1.000  
138  138  ?         -55.3   131.4  Favored  ?        5   92.820     5  0.25     7  0.39  molprobity  1.000  
139  139  m        -127.8   145.0  Favored  ?        7   85.120     7  0.25    10  0.60  molprobity  1.000  
140  140  t        -131.6   132.7  Favored  ?        9   88.080     7  0.22    10  0.50  molprobity  1.000  
141  141  p90      -147.6   155.0  Favored  ?        9   76.720    12  0.33    16  0.43  molprobity  1.000  
142  142  m-85     -122.7   151.3  Favored  ?        9   91.050    13  0.29    18  0.47  molprobity  1.000  
143  143  m-85     -118.3   162.8  Favored  ?        9   67.090    12  0.35    16  0.36  molprobity  1.000  
144  144  mm       -137.7   130.6  Favored  ?       11   77.100     8  0.17    11  0.55  molprobity  1.000  
145  145  t        -131.0    88.4  Favored  ?        4   83.960     6  0.25     8  1.01  molprobity  1.000  
146  146  t70      -107.7   116.9  Favored  ?        4   94.140     8  0.18    11  0.35  molprobity  1.000  
147  147  t30      -112.6    29.3  Favored  ?        6   89.270     8  0.21    11  0.28  molprobity  1.000  
148  148  p         -73.9   -29.5  Favored  ?        5   99.540     6  0.23     8  0.26  molprobity  1.000  
149  149  mttt      -84.2     2.8  Favored  ?       13  110.260     9  0.24    11  0.40  molprobity  1.000  
150  150  m         -86.7   123.5  Favored  ?        7   99.200     7  0.19    10  0.55  molprobity  1.000  
151  151  mt-10    -117.1   128.9  Favored  ?        6  118.960     9  0.19    12  0.35  molprobity  1.000  
152  152  t70      -133.2   112.8  Favored  ?        4  136.030     8  0.20    11  0.46  molprobity  1.000  
153  153  m-20       55.8  -121.0  Allowed  ?        4  137.750     8  0.31    11  1.00  molprobity  1.000  
154  154  p-10      -94.5    -6.8  Favored  ?        6  149.310     8  0.25    11  0.42  molprobity  1.000  
155  155  mttt      -80.5   157.9  Favored  ?       13  135.370     9  0.30    11  0.44  molprobity  1.000  
156  156  mttt     -143.7   139.1  Favored  ?       13  130.000     9  0.21    11  0.34  molprobity  1.000  
157  157  ?         -68.9   173.6  Favored  ?        3  108.290     4  0.37     5  0.77  molprobity  1.000  
158  158  m-20     -104.3   165.2  Favored  ?        6  106.780     8  0.22    11  0.44  molprobity  1.000  
159  159  ttt180   -106.7   123.7  Favored  ?       13  152.770    11  0.22    14  0.93  molprobity  1.000  
160  160  ?         -99.9   134.7  Favored  ?        3   88.980     4  0.15     5  0.62  molprobity  1.000  
161  161  mt       -128.2   135.9  Favored  ?       11   92.530     8  0.22    11  0.48  molprobity  1.000  
162  162  t        -119.2   109.5  Favored  ?        9   75.910     7  0.27    10  0.52  molprobity  1.000  
163  163  tt0       -97.2   126.0  Favored  ?        6   94.610     9  0.26    12  0.36  molprobity  1.000  
164  164  t        -115.9    99.7  Favored  ?        9   79.210     7  0.28    10  0.59  molprobity  1.000  
165  165  t80      -101.2   103.8  Favored  ?        9   92.420    13  0.20    18  0.42  molprobity  1.000  
166  166  t         -98.2   124.2  Favored  ?        9   82.460     7  0.30    10  0.39  molprobity  1.000  
167  167  mt-10     -97.8   158.8  Favored  ?        6   90.710     9  0.21    13  0.28  molprobity  1.000  
168  168  Cg_exo    -62.7   131.7  Favored  ?        7   91.190     8  0.18    11  0.31  molprobity  1.000  
169  169  p90      -144.9   148.0  Favored  ?        9   89.400    13  0.29    18  0.42  molprobity  1.000  
170  170  ?          96.4   175.2  Favored  ?        3  116.150     4  0.30     5  0.77  molprobity  1.000  
171  171  m120          ?       ?  ?        ?        6  128.350     7  0.25     8  0.26  molprobity  1.000  
172  172  mt-10         ?       ?  ?        ?        8  123.460     9  0.58    12  0.32  molprobity  1.000  
173  173  t         -62.6   129.6  Favored  ?        9  128.820     7  0.25    10  0.38  molprobity  1.000  
174  174  mm-40    -141.1   128.4  Favored  ?        8  108.740     9  0.25    12  0.39  molprobity  1.000  
175  175  mt       -126.4   124.2  Favored  ?       11   87.550     8  0.23    11  0.48  molprobity  1.000  
176  176  t        -123.0   126.9  Favored  ?        9   84.120     7  0.22    10  0.39  molprobity  1.000  
177  177  mp0       -96.6   150.0  Favored  ?        6   81.640     9  0.22    12  0.43  molprobity  1.000  
178  178  m        -151.4   163.6  Favored  ?        5   80.130     6  0.32     8  0.49  molprobity  1.000  
179  179  ?         104.1   -10.7  Favored  ?        3   79.620     4  0.53     5  0.82  molprobity  1.000  
180  180  ?         -56.4   154.5  Favored  ?        3   73.470     4  0.23     5  0.58  molprobity  1.000  
181  181  ?        -179.7  -165.9  Favored  ?        3   70.320     4  0.35     5  0.79  molprobity  1.000  
182  182  tp       -115.4   133.5  Favored  ?       11   73.060     8  0.24    11  0.45  molprobity  1.000  
183  183  p        -143.8   162.1  Favored  ?        9   77.900     7  0.39    10  0.50  molprobity  1.000  
184  184  mttt      -95.7   155.6  Favored  ?       13   93.920     9  0.39    12  0.35  molprobity  1.000  
185  185  Cg_exo    -53.0   132.9  Favored  ?        7   88.730     8  0.18    11  0.22  molprobity  1.000  
186  186  ?          92.8   -11.2  Favored  ?        3   83.950     4  0.55     5  0.64  molprobity  1.000  
187  187  ?         -79.5  -175.5  Favored  ?        3   82.480     4  0.39     5  0.69  molprobity  1.000  
188  188  m        -130.7   157.8  Favored  ?        5   83.700     6  0.41     8  0.53  molprobity  1.000  
189  189  tp       -159.5   159.2  Favored  ?       11   77.760     8  0.21    11  0.60  molprobity  1.000  
190  190  ttt-85   -136.1   119.9  Favored  ?       13   80.020    11  0.22    14  0.98  molprobity  1.000  
191  191  mt        -98.3   156.8  Favored  ?       11   73.860     8  0.20    11  0.50  molprobity  1.000  
192  192  m        -144.7   144.1  Favored  ?        5   77.150     6  0.26     8  0.61  molprobity  1.000  
193  193  t        -125.0   124.5  Favored  ?        4   84.390     6  0.19     8  0.63  molprobity  1.000  
194  194  ?        -102.5   133.2  Favored  ?        5   83.310     5  0.26     7  0.44  molprobity  1.000  
195  195  ?        -117.9   143.7  Favored  ?        5   84.000     5  0.34     7  0.40  molprobity  1.000  
196  196  p        -157.1   147.9  Favored  ?        5   94.640     6  0.28     8  0.43  molprobity  1.000  
197  197  ?          94.3    10.1  Favored  ?        3   98.220     4  0.37     5  0.69  molprobity  1.000  
198  198  p90      -160.9   168.2  Favored  ?        9   93.720    12  0.30    16  0.40  molprobity  1.000  
199  199  t-20      -76.9    99.4  Favored  ?        6   99.910     8  0.16    11  0.45  molprobity  1.000  
200  200  t80       -64.1   -29.1  Favored  ?        9   90.110    12  0.35    16  0.24  molprobity  1.000  
201  201  mt        -68.9   -26.1  Favored  ?       11  101.260     8  0.20    11  0.32  molprobity  1.000  
202  202  m        -106.2    12.9  Favored  ?        5  103.750     6  0.26     8  0.34  molprobity  1.000  
203  203  m        -101.2   148.8  Favored  ?        5   88.660     6  0.24     8  0.47  molprobity  1.000  
204  204  OUTLIER  -109.6   112.3  Favored  ?        9   73.730    13  0.33    18  0.59  molprobity  1.000  
205  205  mm       -116.1   135.7  Favored  ?       11   70.960     8  0.20    11  0.50  molprobity  1.000  
206  206  m        -121.2   159.1  Favored  ?        5   64.330     6  0.48     8  0.47  molprobity  1.000  
207  207  m95       -97.7   132.8  Favored  ?       10   65.960    16  0.20    23  0.33  molprobity  1.000  
208  208  t        -135.6   127.3  Favored  ?        9   57.920     7  0.27    10  0.45  molprobity  1.000  
209  209  ptt180   -113.2   151.8  Favored  ?       13   60.400    11  0.15    14  0.91  molprobity  1.000  
210  210  tt0      -131.0   105.7  Favored  ?        8   63.250     9  0.31    12  0.48  molprobity  1.000  
211  211  ?         -74.9   167.5  Favored  ?        5   62.580     5  0.23     8  0.36  molprobity  1.000  
212  212  Cg_exo    -61.2   132.6  Favored  ?        7   68.180     8  0.18    11  0.27  molprobity  1.000  
213  213  ?          70.0    13.3  Favored  ?        3   70.260     4  0.40     5  0.59  molprobity  1.000  
214  214  mttt     -129.7   158.3  Favored  ?       13   75.960     9  0.27    11  0.41  molprobity  1.000  
215  215  ?         -77.3   173.3  Favored  ?        3   62.400     4  0.56     6  0.57  molprobity  1.000  
216  216  Cg_exo    -59.1   153.5  Favored  ?        7   50.160     8  0.12    11  0.44  molprobity  1.000  
217  217  tt0      -139.4   118.7  Favored  ?        6   59.560     9  0.32    12  0.44  molprobity  1.000  
218  218  t90       -65.5   135.3  Favored  ?       10   55.400    16  0.20    23  0.21  molprobity  1.000  
219  219  t        -112.6   -51.4  Favored  ?        9   58.010     7  0.23    10  0.30  molprobity  1.000  
220  220  t        -163.0   158.1  Favored  ?        5   59.760     6  0.37     8  0.54  molprobity  1.000  
221  221  p        -152.2   160.7  Favored  ?        5   69.440     6  0.28     8  0.57  molprobity  1.000  
222  222  tt       -148.7   133.2  Favored  ?       11   80.810     8  0.20    11  0.47  molprobity  1.000  
223  223  p         -67.5   161.9  Favored  ?        7   93.520     7  0.13    10  0.65  molprobity  1.000  
224  224  p         -64.3   -32.9  Favored  ?        5   97.290     6  0.21     8  0.25  molprobity  1.000  
225  225  p         -79.0    -8.4  Favored  ?        7  105.470     7  0.20    10  0.69  molprobity  1.000  
226  226  m          68.2    15.1  Favored  ?        5  101.970     6  0.36     8  0.48  molprobity  1.000  
227  227  p         -82.2   -33.4  Favored  ?        7  116.720     7  0.21    10  0.55  molprobity  1.000  
228  228  m-20     -119.5   120.2  Favored  ?        4  107.080     8  0.22    11  0.41  molprobity  1.000  
229  229  mt       -125.2   145.2  Favored  ?       11   89.910     8  0.16    11  0.47  molprobity  1.000  
230  230  m80      -143.1   141.5  Favored  ?        7   77.720    11  0.15    15  0.35  molprobity  1.000  
231  231  m-85     -125.8   162.1  Favored  ?        9   73.860    13  0.24    18  0.43  molprobity  1.000  
232  232  ?         -76.8   162.9  Favored  ?        5   70.820     5  0.23     7  0.52  molprobity  1.000  
233  233  m-20      -67.6   -37.8  Favored  ?        4   86.690     8  0.22    11  0.27  molprobity  1.000  
234  234  p         -69.4   -27.9  Favored  ?        5   81.760     6  0.23     8  0.32  molprobity  1.000  
235  235  m        -106.2     1.9  Favored  ?        9   74.550     7  0.24    10  0.42  molprobity  1.000  
236  236  tttt      -64.9   138.2  Favored  ?       13   98.310     9  0.28    11  0.23  molprobity  1.000  
237  237  ?          78.2   -11.6  Favored  ?        3   82.810     4  0.47     5  0.61  molprobity  1.000  
238  238  mtm105   -112.6   -26.9  Favored  ?       13   77.950    11  0.18    14  1.04  molprobity  1.000  
239  239  m-30     -107.8   153.5  Favored  ?        9   74.300    12  0.25    16  0.56  molprobity  1.000  
240  240  m        -139.9   126.4  Favored  ?        7   79.030     7  0.22    10  0.63  molprobity  1.000  
241  241  tt       -101.6   155.4  Favored  ?       11   69.420     8  0.24    11  0.45  molprobity  1.000  
242  242  p        -162.8   164.1  Favored  ?        5   75.160     6  0.28     8  0.58  molprobity  1.000  
243  243  ptp180   -145.8   157.4  Favored  ?       13   86.200    11  0.20    14  1.00  molprobity  1.000  
244  244  t0       -132.4   100.4  Favored  ?        4   95.650     8  0.26    11  0.57  molprobity  1.000  
245  245  m-20      -59.9   -42.1  Favored  ?        6   95.020     8  0.25    11  0.28  molprobity  1.000  
246  246  ?         -57.7   -46.3  Favored  ?        5   96.150     5  0.27     7  0.24  molprobity  1.000  
247  247  mmtt      -91.9    10.1  Favored  ?       13  100.940     9  0.26    11  0.33  molprobity  1.000  
248  248  ?          45.9    53.3  Favored  ?        5   86.920     5  0.27     7  0.46  molprobity  1.000  
249  249  m        -129.8   148.9  Favored  ?        5   81.490     6  0.32     8  0.53  molprobity  1.000  
250  250  tp       -127.6   133.2  Favored  ?       11   78.000     8  0.19    11  0.45  molprobity  1.000  
251  251  m-85     -119.8   139.4  Favored  ?        9   77.710    12  0.35    16  0.32  molprobity  1.000  
252  252  tp       -126.1   109.7  Favored  ?       11   68.660     8  0.25    11  0.46  molprobity  1.000  
253  253  tp60      -91.6   115.0  Favored  ?        8   75.540     9  0.32    12  0.46  molprobity  1.000  
254  254  mtm      -103.7   117.8  Favored  ?        9   74.810     8  0.29    10  0.43  molprobity  1.000  
255  255  m-20     -120.4   158.2  Favored  ?        6   87.390     8  0.24    11  0.42  molprobity  1.000  
256  256  m          54.7    46.1  Favored  ?        5   80.600     6  0.23     8  0.40  molprobity  1.000  
257  257  mt        -63.0   151.4  Favored  ?       11   78.080     8  0.26    11  0.55  molprobity  1.000  
258  258  mtm-85   -133.6   164.9  Favored  ?       13   87.480    11  0.25    14  0.98  molprobity  1.000  
259  259  t         -59.4   -36.3  Favored  ?        9   74.400     7  0.18    10  0.31  molprobity  1.000  
260  260  pm0       -65.2   -19.6  Favored  ?        6   77.920     9  0.22    12  0.38  molprobity  1.000  
261  261  m-20      -78.5     8.2  Favored  ?        4   67.750     8  0.23    11  0.41  molprobity  1.000  
262  262  m         -76.2   134.3  Favored  ?        7   61.300     7  0.22    10  0.44  molprobity  1.000  
263  263  ?         154.0   179.8  Favored  ?        3   59.780     4  0.22     5  0.77  molprobity  1.000  
264  264  t         -83.9   133.2  Favored  ?        9   57.350     7  0.26    10  0.38  molprobity  1.000  
265  265  m-85     -110.6   112.4  Favored  ?        9   60.640    13  0.20    18  0.35  molprobity  1.000  
266  266  m-85     -102.1   150.1  Favored  ?        9   62.230    13  0.29    18  0.48  molprobity  1.000  
267  267  p        -111.5   121.3  Favored  ?        4   83.860     6  0.31     8  0.67  molprobity  1.000  
268  268  ?        -127.3   131.6  Favored  ?        5   65.410     5  0.41     7  0.33  molprobity  1.000  
269  269  ttp180    -72.0   149.9  Favored  ?       13   79.870    11  0.23    14  0.97  molprobity  1.000  
270  270  mmt85    -102.8   135.9  Favored  ?       13   65.640    11  0.16    14  0.98  molprobity  1.000  
271  271  p90      -138.1   151.5  Favored  ?        9   67.500    13  0.39    18  0.60  molprobity  1.000  
272  272  m         -92.1   122.4  Favored  ?        4   72.730     6  0.24     8  0.35  molprobity  1.000  
273  273  tpt85    -134.7   127.8  Favored  ?       13   74.580    11  0.23    14  1.00  molprobity  1.000  
274  274  ?          70.7  -118.9  Favored  ?        3   78.100     4  0.27     5  0.63  molprobity  1.000  
275  275  ?         -95.9   -26.7  Favored  ?        3   72.670     4  0.31     5  0.66  molprobity  1.000  
276  276  p        -111.6   166.9  Favored  ?        7   68.280     7  0.23    10  0.79  molprobity  1.000  
277  277  m        -115.1    13.0  Favored  ?        4   70.920     6  0.21     8  0.27  molprobity  1.000  
278  278  m-85      -77.5    52.2  Allowed  ?        9   66.060    13  0.25    18  0.30  molprobity  1.000  
279  279  mt       -145.7   153.3  Favored  ?       11   59.000     8  0.27    11  0.45  molprobity  1.000  
280  280  m-85     -114.9   129.6  Favored  ?        9   57.800    12  0.30    16  0.30  molprobity  1.000  
281  281  t0        -86.5   -67.2  Allowed  ?        4   81.050     8  0.19    11  0.30  molprobity  1.000  
282  282  m80      -118.5   140.6  Favored  ?        7   89.200    11  0.19    15  0.37  molprobity  1.000  
283  283  m95      -116.2   155.5  Favored  ?       10   64.770    16  0.18    23  0.32  molprobity  1.000  
284  284  ?         -83.8  -179.2  Favored  ?        3   72.510     4  0.40     5  0.77  molprobity  1.000  
285  285  mt-30     -74.0   -26.3  Favored  ?        8   94.070     9  0.27    12  0.34  molprobity  1.000  
286  286  ?          91.9   130.3  Favored  ?        3   65.250     4  0.38     5  0.17  molprobity  1.000  
287  287  t        -104.0   121.5  Favored  ?        7   66.670     7  0.34    11  0.46  molprobity  1.000  
288  288  Cg_exo    -69.8   150.2  Favored  ?        7   64.880     8  0.13    11  0.49  molprobity  1.000  
289  289  t        -135.6   118.1  Favored  ?        9   61.260     7  0.21    10  0.51  molprobity  1.000  
290  290  mt       -111.1   119.5  Favored  ?       11   62.260     8  0.29    11  0.55  molprobity  1.000  
291  291  t        -118.1   103.7  Favored  ?        9   70.730     7  0.34    10  0.67  molprobity  1.000  
292  292  t        -167.3   157.5  Favored  ?        5   76.550     6  0.29     8  0.56  molprobity  1.000  
293  293  p        -136.7    18.6  Favored  ?        5   83.580     6  0.29     8  0.36  molprobity  1.000  
294  294  ?             ?       ?  ?        ?        3   88.730     3  0.20     2  0.27  molprobity  1.000  
295  295  p             ?       ?  ?        ?        4   98.640     6  0.23     8  0.27  molprobity  1.000  
296  296  m-20     -101.5   160.4  Favored  ?        4   94.020     8  0.18    11  0.40  molprobity  1.000  
297  297  mt        -83.0   117.0  Favored  ?       11   77.290     8  0.21    11  0.34  molprobity  1.000  
298  298  mp0       -90.7   122.5  Favored  ?        8   84.480     9  0.28    12  0.36  molprobity  1.000  
299  299  mmm      -101.5   122.0  Favored  ?        9   68.330     8  0.29    10  0.50  molprobity  1.000  
300  300  m        -108.6   151.4  Favored  ?        7   70.290     7  0.19    10  0.60  molprobity  1.000  
301  301  tt0      -137.7   153.0  Favored  ?        8   58.750     9  0.28    12  0.39  molprobity  1.000  
302  302  m        -159.8   141.1  Favored  Y        5   66.850     6  0.43     9  0.65  molprobity  1.000  
303  303  Cg_endo   -75.2  -176.3  Favored  ?        7   61.110     8  0.15    11  0.25  molprobity  1.000  
304  304  t         -83.4   -34.8  Favored  ?        5   72.410     6  0.27     8  0.30  molprobity  1.000  
305  305  p        -156.3   144.2  Favored  ?        5   72.140     6  0.33     8  0.71  molprobity  1.000  
306  306  t        -122.7   141.0  Favored  ?        9   68.840     7  0.32    10  0.50  molprobity  1.000  
307  307  m        -122.0   129.9  Favored  ?        5   77.030     6  0.19     8  0.59  molprobity  1.000  
308  308  ?        -154.2   147.8  Favored  ?        5   84.880     5  0.37     7  0.35  molprobity  1.000  
309  309  m         -81.7   163.9  Favored  ?        5   95.160     6  0.18     8  0.45  molprobity  1.000  
310  310  t         -67.0   136.0  Favored  ?        9   97.010     7  0.25    10  0.33  molprobity  1.000  
311  311  ?          89.8     9.9  Favored  ?        3   95.470     4  0.43     5  0.62  molprobity  1.000  
312  312  m-20      -96.3  -174.1  Favored  ?        4   89.520     8  0.24    11  0.44  molprobity  1.000  
313  313  ttt85    -126.6   126.4  Favored  ?       13   88.070    11  0.20    14  1.03  molprobity  1.000  
314  314  t        -127.0   141.2  Favored  ?        9   72.570     7  0.23    10  0.42  molprobity  1.000  
315  315  p        -130.8   122.9  Favored  ?        7   78.250     7  0.23    10  0.65  molprobity  1.000  
316  316  mt       -105.7   140.2  Favored  ?       11   66.640     8  0.22    11  0.45  molprobity  1.000  
317  317  p        -111.6   151.3  Favored  ?        7   66.360     7  0.23    10  0.69  molprobity  1.000  
318  318  t        -144.4   125.7  Favored  ?        4   68.950     6  0.27     8  0.59  molprobity  1.000  
319  319  ttp180   -120.3   130.0  Favored  ?       13   91.510    11  0.22    14  0.97  molprobity  1.000  
320  320  ?         -95.5   149.0  Favored  ?        5   64.230     5  0.26     7  0.43  molprobity  1.000  
321  321  p         -80.5    -6.5  Favored  ?        5   66.290     6  0.25     8  0.35  molprobity  1.000  
322  322  mt-30    -145.9   160.8  Favored  ?        8   68.870     9  0.19    12  0.45  molprobity  1.000  
323  323  ?         -67.8   133.8  Favored  ?        5   62.870     5  0.18     7  0.25  molprobity  1.000  
324  324  pt       -139.5    15.1  Allowed  ?       11   60.030     8  0.23    11  0.31  molprobity  1.000  
325  325  m          55.3  -123.0  Allowed  ?        5   61.550     6  0.44     8  1.19  molprobity  1.000  
326  326  m        -110.3    17.6  Favored  ?        5   63.210     6  0.24     8  0.22  molprobity  1.000  
327  327  m95       -79.4    61.5  Favored  ?       10   68.650    16  0.22    23  0.34  molprobity  1.000  
328  328  tt       -133.4   132.4  Favored  ?       11   59.100     8  0.20    11  0.48  molprobity  1.000  
329  329  ?        -120.1   158.2  Favored  ?        5   56.590     5  0.36     7  0.53  molprobity  1.000  
330  330  m95      -120.5   132.8  Favored  ?       10   59.090    16  0.19    23  0.25  molprobity  1.000  
331  331  m-85     -116.5   140.6  Favored  ?        9   56.990    13  0.48    18  0.37  molprobity  1.000  
332  332  tt0      -103.0   131.4  Favored  ?        8   59.800     9  0.27    12  0.37  molprobity  1.000  
333  333  tt0      -128.6   102.3  Favored  ?        8   62.240     9  0.29    12  0.49  molprobity  1.000  
334  334  mtpt      -76.0   148.6  Favored  ?       13   79.840     9  0.34    12  0.28  molprobity  1.000  
335  335  Cg_exo    -51.2   121.5  Favored  ?        7   74.230     8  0.24    11  0.32  molprobity  1.000  
336  336  ?          98.5   -16.2  Favored  ?        3   69.040     4  0.61     5  0.51  molprobity  1.000  
337  337  mttt     -111.7   170.4  Favored  ?       13   89.310     9  0.27    11  0.44  molprobity  1.000  
338  338  ?         -78.1   163.5  Favored  ?        5   64.440     5  0.24     8  0.23  molprobity  1.000  
339  339  Cg_exo    -64.5   158.6  Favored  ?        7   62.680     8  0.19    11  0.47  molprobity  1.000  
340  340  tttt     -138.9   130.2  Favored  ?       13   87.530     9  0.27    11  0.31  molprobity  1.000  
341  341  tp        -72.4   126.2  Favored  ?       11   68.500     8  0.19    11  0.25  molprobity  1.000  
342  342  mt       -105.0   -42.2  Favored  ?       11   66.270     8  0.22    11  0.63  molprobity  1.000  
343  343  mm       -129.6   140.1  Favored  ?       11   72.000     8  0.21    11  0.46  molprobity  1.000  
344  344  p90      -131.9   161.3  Favored  ?        9   68.450    13  0.28    18  0.49  molprobity  1.000  
345  345  ?          62.2    18.4  Favored  ?        3   63.470     4  0.35     5  0.45  molprobity  1.000  
346  346  ?          81.2   -31.1  Allowed  ?        5   61.880     5  0.33     7  0.38  molprobity  1.000  
347  347  p        -141.2     8.2  Favored  ?        5   66.360     6  0.39     8  0.72  molprobity  1.000  
348  348  m        -103.4   132.5  Favored  ?        5   67.300     6  0.28     8  0.27  molprobity  1.000  
349  349  mp        -90.2   134.3  Favored  ?       11   66.420     8  0.28    11  0.59  molprobity  1.000  
350  350  tp10      -72.4   164.4  Favored  ?        6   71.230     9  0.24    12  0.49  molprobity  1.000  
351  351  t         -55.3   126.4  Favored  ?        5   80.470     6  0.25     8  0.21  molprobity  1.000  
352  352  ?          94.1   -18.7  Favored  ?        3   79.150     4  0.49     5  0.70  molprobity  1.000  
353  353  t         -64.5   132.1  Favored  ?        9   75.420     7  0.42    11  0.43  molprobity  1.000  
354  354  Cg_exo    -62.8   169.9  Favored  ?        7   82.300     8  0.12    11  0.46  molprobity  1.000  
355  355  m         -76.3   -28.1  Favored  ?        5   87.650     6  0.20     8  0.33  molprobity  0.957  
356  356  ptt-85    -59.2   -17.4  Favored  ?       13   86.260    11  0.21    14  0.95  molprobity  1.000  
357  357  m-85      -84.6   125.1  Favored  ?        9   74.810    12  0.34    16  0.24  molprobity  1.000  
358  358  m        -128.2   140.1  Favored  ?        5   68.250     6  0.39     8  0.31  molprobity  1.000  
359  359  ?        -122.5   150.0  Favored  ?        3   66.250     4  0.24     5  0.59  molprobity  1.000  
360  360  t        -160.4   152.5  Favored  ?        5   65.480     6  0.28     8  0.22  molprobity  1.000  
361  361  ?         127.5   173.6  Favored  ?        3   65.020     4  0.27     5  0.81  molprobity  1.000  
362  362  t        -174.4   153.3  Allowed  ?        5   76.310     6  0.36     8  0.50  molprobity  1.000  
363  363  ?          85.5   -89.1  Allowed  ?        3   68.580     4  0.46     5  0.13  molprobity  1.000  
364  364  p        -132.4   -23.4  Favored  ?        7   71.210     7  0.27    10  0.86  molprobity  1.000  
365  365  m-20     -112.7   129.1  Favored  ?        4   74.710     8  0.19    11  0.33  molprobity  1.000  
366  366  m-85     -133.1   168.4  Favored  ?        9   64.830    12  0.36    16  0.35  molprobity  1.000  
367  367  m        -153.2   141.9  Favored  ?        7   65.720     7  0.24    10  0.65  molprobity  1.000  
368  368  tp       -117.9   138.1  Favored  ?       11   61.400     8  0.22    11  0.50  molprobity  1.000  
369  369  m        -135.7   135.5  Favored  ?        7   65.720     7  0.29    10  0.61  molprobity  1.000  
370  370  mt       -116.9   108.0  Favored  ?       11   79.180     8  0.26    11  0.60  molprobity  1.000  
371  371  t30       -66.1   -44.0  Favored  ?        6  111.310     8  0.22    11  0.28  molprobity  1.000  
372  372  t        -127.0   114.6  Favored  ?        5   97.420     6  0.16     8  0.49  molprobity  1.000  
373  373  mt        -79.7   116.8  Favored  ?       11   93.580     8  0.28    11  0.47  molprobity  1.000  
374  374  mm-40     -96.9   159.7  Favored  ?        8   99.710     9  0.24    13  0.30  molprobity  1.000  
375  375  Cg_exo    -58.5   -30.6  Favored  ?        7   96.420     8  0.25    11  0.35  molprobity  1.000  
376  376  pt-20     -71.2   -15.0  Favored  ?        6  100.110     9  0.17    12  0.41  molprobity  1.000  
377  377  m-20      -73.2    -6.6  Favored  ?        4   85.000     8  0.18    11  0.40  molprobity  1.000  
378  378  t80       -54.6   111.4  Allowed  ?        9   96.800    12  0.37    16  0.27  molprobity  1.000  
379  379  ?         178.8  -172.8  Allowed  ?        5   63.840     5  0.30     7  0.36  molprobity  1.000  
380  380  m        -112.6   132.4  Favored  ?        7   61.580     7  0.23    10  0.54  molprobity  1.000  
381  381  m-85     -112.8   124.8  Favored  ?        9   59.990    13  0.29    18  0.30  molprobity  1.000  
382  382  m-85     -112.9   136.2  Favored  ?        9   62.590    13  0.29    18  0.33  molprobity  1.000  
383  383  p         -95.2   151.6  Favored  ?        4   57.010     6  0.43     8  0.70  molprobity  1.000  
384  384  tt0      -144.0   129.4  Favored  ?        8   60.440     9  0.26    12  0.35  molprobity  1.000  
385  385  pp0?      -83.0   124.7  Favored  ?        8   60.700     9  0.32    12  0.43  molprobity  1.000  
386  386  ?        -105.9    30.0  Favored  ?        5   58.370     5  0.20     7  0.21  molprobity  1.000  
387  387  ?         -89.3   -53.4  Favored  ?        5   61.960     5  0.30     7  0.26  molprobity  1.000  
388  388  mtm-85   -145.1   152.0  Favored  ?       13   65.960    11  0.22    14  0.98  molprobity  1.000  
389  389  t80       -63.8   141.0  Favored  Y        9   74.050    12  0.37    17  0.32  molprobity  1.000  
390  390  Cg_endo   -88.1   153.0  Favored  ?        7   70.350     8  0.30    11  0.28  molprobity  1.000  
391  391  mt        -52.2   146.2  Favored  ?       11   56.900     8  0.24    11  0.41  molprobity  1.000  
392  392  m        -149.8   142.0  Favored  ?        7   59.620     7  0.20    10  0.83  molprobity  1.000  
393  393  m-85     -116.0   171.6  Favored  ?        9   51.670    12  0.36    16  0.38  molprobity  1.000  
394  394  ?         -97.5   172.6  Favored  ?        3   63.550     4  0.43     5  0.64  molprobity  1.000  
395  395  mp0       -75.3    -2.1  Favored  ?        8   84.960     9  0.26    12  0.50  molprobity  1.000  
396  396  ?          83.9   159.9  Favored  ?        3   57.850     4  0.37     5  0.74  molprobity  1.000  
397  397  m        -131.5   118.9  Favored  ?        7   59.270     7  0.23    10  0.59  molprobity  1.000  
398  398  mtp180    -79.9   129.4  Favored  ?       13   85.250    11  0.32    14  0.87  molprobity  1.000  
399  399  tp       -116.1   124.1  Favored  ?       11   71.590     8  0.22    11  0.57  molprobity  1.000  
400  400  mt-10    -126.7   126.5  Favored  ?        6   95.640     9  0.58    12  0.67  molprobity  1.000  
401  401  mm        -93.3   128.1  Favored  ?       11   97.150     8  0.24    11  0.33  molprobity  1.000  
402  402  mttt          ?       ?  ?        ?       13  116.600     8  0.29     8  0.20  molprobity  1.000  
403  403  ?             ?       ?  ?        ?        ?   59.170     ?     ?     ?     ?  ?           1.000  
404  404  ?             ?       ?  ?        ?        ?   72.690     ?     ?     ?     ?  ?           1.000  
405  405  ?             ?       ?  ?        ?        ?   56.350     ?     ?     ?     ?  ?           1.000  
406  406  ?             ?       ?  ?        ?        ?   69.790     ?     ?     ?     ?  ?           1.000  
407  407  ?             ?       ?  ?        ?        ?   68.030     ?     ?     ?     ?  ?           1.000  
408  408  ?             ?       ?  ?        ?        ?   67.360     ?     ?     ?     ?  ?           1.000  
409  409  ?             ?       ?  ?        ?        ?   75.310     ?     ?     ?     ?  ?           0.500  
410  410  ?             ?       ?  ?        ?        ?   74.580     ?     ?     ?     ?  ?           1.000  
411  411  ?             ?       ?  ?        ?        ?   65.320     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    1  O      1  0.50  2.26  
 2    2  OG     1  0.50  2.26  
 3    7  O      2  0.41  2.54  
 4   68  HB3    3  0.54  1.88  
 5   72  OE2    4  0.49  2.46  
 6   89  HG11   5  0.44  1.98  
 7  102  HD23   6  0.49  1.94  
 8  102  HD13   5  0.44  1.98  
 9  102  HG     7  0.41  2.02  
10  109  HD21   6  0.49  1.94  
11  109  HD12   8  0.42  2.20  
12  109  HD22   7  0.41  2.02  
13  130  O      8  0.42  2.20  
14  140  HG22   9  0.44  1.81  
15  159  NH1    2  0.41  2.54  
16  165  HD1    9  0.44  1.81  
17  183  HG11  10  0.46  1.98  
18  191  HD22  11  0.46  1.97  
19  193  O     12  0.46  2.16  
20  204  HB3   13  0.42  2.01  
21  249  HA    12  0.46  2.16  
22  257  HD13  10  0.46  1.98  
23  270  NH2    4  0.49  2.46  
24  270  HB2   13  0.42  2.01  
25  271  OH    14  0.80  1.81  
26  276  HG22   3  0.54  1.88  
27  276  HG21  15  0.47  2.14  
28  276  HG23  16  0.43  2.54  
29  276  HG23  17  0.40  2.56  
30  287  HG21  11  0.46  1.97  
31  287  O     18  0.45  2.16  
32  287  HG23  18  0.45  2.16  
33  297  O     19  0.56  2.06  
34  301  NE2   20  0.42  2.41  
35  327  CE3   16  0.43  2.54  
36  327  CZ3   17  0.40  2.56  
37  328  HD13  21  0.60  2.36  
38  328  HD13  22  0.57  2.40  
39  329  HB1   23  0.51  1.92  
40  329  HB1   24  0.42  2.50  
41  330  O     25  0.42  2.19  
42  331  CE1   26  0.50  2.64  
43  335  HG2   27  0.43  1.84  
44  341  HD23  14  0.80  1.81  
45  341  HD11  23  0.51  1.92  
46  341  HD11  28  0.46  2.15  
47  341  CD1   24  0.42  2.50  
48  341  HD12  25  0.42  2.19  
49  343  HD12  29  0.49  1.95  
50  343  O     28  0.46  2.15  
51  345  O     30  0.49  2.12  
52  346  HB3   30  0.49  2.12  
53  349  HD12  29  0.49  1.95  
54  356  HD2   31  0.43  2.18  
55  366  CD1   21  0.60  2.36  
56  366  CG    22  0.57  2.40  
57  370  HG21  32  0.51  1.92  
58  372  O     31  0.43  2.18  
59  373  HD23  32  0.51  1.92  
60  373  HD13  33  0.44  2.48  
61  378  HD1   34  0.46  1.81  
62  378  HE2   27  0.43  1.84  
63  378  CD1   35  0.42  2.54  
64  381  O     20  0.42  2.41  
65  384  OE1   26  0.50  2.64  
66  386  O     15  0.47  2.14  
67  392  HG21  19  0.56  2.06  
68  400  HA    34  0.46  1.81  
69  400  HA    35  0.42  2.54  
70  401  CD1   33  0.44  2.48  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   8  0.818  0.211   0.274  
  2    2   6  0.729  0.202   0.506  
  3    3  12  0.854  0.456   4.268  
  4    4   9  0.582  0.348   1.703  
  5    5   7  0.826  0.252   1.207  
  6    6   7  0.825  0.239   1.017  
  7    7   9  0.726  0.323   1.402  
  8    8   6  0.830  0.282   1.620  
  9    9   4  0.569  0.270   1.453  
 10   10   8  0.767  0.409   3.079  
 11   11   7  0.737  0.294   1.819  
 12   12   5  0.613  0.452   4.124  
 13   13   7  0.692  0.332   2.207  
 14   14   6  0.608  0.502   4.684  
 15   15   9  0.559  0.524   3.821  
 16   16   8  0.407  0.785   8.099  
 17   17   6  0.402  0.397   3.221  
 18   18  12  0.624  0.413   3.613  
 19   19   8  0.859  0.222   0.582  
 20   20   9  0.879  0.387   1.899  
 21   21  12  0.957  0.183   0.107  
 22   22   5  0.960  0.174   0.101  
 23   23   6  0.944  0.129  -0.511  
 24   24   9  0.820  0.348   1.921  
 25   25   8  0.876  0.246   0.955  
 26   26   7  0.806  0.342   2.519  
 27   27   8  0.790  0.303   1.738  
 28   28   9  0.730  0.489   3.062  
 29   29   9  0.900  0.306   1.197  
 30   30  12  0.857  0.295   1.814  
 31   31   7  0.950  0.196   0.213  
 32   32   6  0.918  0.132  -0.249  
 33   33   8  0.732  0.371   2.571  
 34   34  11  0.922  0.206   0.336  
 35   35   7  0.901  0.162  -0.105  
 36   36   8  0.668  0.355   2.358  
 37   37   9  0.908  0.189  -0.074  
 38   38   8  0.940  0.350   2.245  
 39   39   9  0.764  0.361   1.602  
 40   40   7  0.924  0.345   2.563  
 41   41   7  0.853  0.214   0.653  
 42   42   9  0.554  0.580   4.495  
 43   43   6  0.723  0.456   4.043  
 44   44   4  0.890  0.103  -0.765  
 45   45   7  0.950  0.191   0.347  
 46   46   9  0.762  0.461   2.742  
 47   47   7  0.835  0.419   3.482  
 48   48   9  0.934  0.300   0.906  
 49   49   9  0.869  0.355   1.534  
 50   50   6  0.898  0.229   1.360  
 51   51   9  0.826  0.357   1.811  
 52   52   7  0.977  0.211   0.433  
 53   53   9  0.735  0.352   1.499  
 54   54   7  0.930  0.277   1.400  
 55   55   8  0.876  0.188   0.158  
 56   56   9  0.869  0.221   0.174  
 57   57   7  0.930  0.195   0.404  
 58   58   8  0.825  0.286   1.338  
 59   59   8  0.916  0.248   0.874  
 60   60   9  0.874  0.336   1.317  
 61   61   7  0.962  0.337   2.280  
 62   62   9  0.769  0.380   1.819  
 63   63   8  0.957  0.291   1.511  
 64   64   8  0.870  0.300   1.644  
 65   65   6  0.917  0.126  -0.348  
 66   66   7  0.949  0.154  -0.186  
 67   67   8  0.960  0.225   0.472  
 68   68   9  0.852  0.311   1.032  
 69   69   4  0.957  0.130  -0.406  
 70   70   6  0.934  0.131  -0.483  
 71   71   7  0.939  0.219   0.550  
 72   72   9  0.886  0.268   0.740  
 73   73   9  0.849  0.232   0.131  
 74   74   8  0.885  0.289   1.380  
 75   75  12  0.963  0.205   0.442  
 76   76   8  0.924  0.213   0.462  
 77   77   8  0.850  0.207   0.419  
 78   78   8  0.922  0.188  -0.015  
 79   79   9  0.787  0.255   0.584  
 80   80  12  0.910  0.206   0.457  
 81   81   7  0.959  0.157  -0.359  
 82   82   7  0.960  0.152  -0.214  
 83   83   9  0.775  0.437   2.469  
 84   84   9  0.920  0.194  -0.302  
 85   85   6  0.968  0.203   0.519  
 86   86   7  0.974  0.178   0.160  
 87   87  12  0.953  0.169  -0.107  
 88   88   7  0.978  0.215   0.491  
 89   89   7  0.974  0.256   1.092  
 90   90   8  0.967  0.274   1.167  
 91   91   7  0.855  0.272   1.499  
 92   92   9  0.796  0.293   0.827  
 93   93   9  0.730  0.475   3.231  
 94   94   9  0.716  0.593   4.651  
 95   95   7  0.762  0.521   5.128  
 96   96   9  0.707  0.418   2.252  
 97   97   8  0.904  0.304   1.593  
 98   98   9  0.935  0.311   1.032  
 99   99   9  0.932  0.275   0.824  
100  100   9  0.904  0.263   0.485  
101  101   8  0.959  0.248   0.799  
102  102   8  0.966  0.198   0.089  
103  103   6  0.847  0.205   0.547  
104  104   9  0.941  0.204  -0.188  
105  105   8  0.970  0.154  -0.535  
106  106   8  0.972  0.141  -0.711  
107  107  12  0.829  0.256   1.220  
108  108   4  0.957  0.167   0.085  
109  109   8  0.955  0.174  -0.251  
110  110   8  0.769  0.359   2.373  
111  111   8  0.965  0.150  -0.578  
112  112   6  0.955  0.138  -0.386  
113  113   7  0.918  0.234   0.965  
114  114   7  0.907  0.295   1.834  
115  115   7  0.973  0.211   0.433  
116  116   8  0.867  0.219   0.584  
117  117   9  0.827  0.366   1.919  
118  118   9  0.893  0.231   0.120  
119  119   9  0.752  0.274   0.812  
120  120   8  0.957  0.153  -0.323  
121  121   8  0.931  0.171  -0.076  
122  122  11  0.975  0.159  -0.341  
123  123   9  0.889  0.229   0.097  
124  124   9  0.903  0.184  -0.271  
125  125   4  0.977  0.090  -0.938  
126  126   7  0.959  0.187   0.081  
127  127   8  0.954  0.243   0.800  
128  128   9  0.735  0.449   2.918  
129  129  11  0.975  0.308   1.805  
130  130   7  0.849  0.257   1.280  
131  131   8  0.973  0.213   0.302  
132  132   7  0.909  0.214   0.678  
133  133   7  0.966  0.172   0.073  
134  134   7  0.941  0.217   0.521  
135  135   7  0.961  0.125  -0.828  
136  136  10  0.873  0.240   0.944  
137  137   9  0.862  0.397   2.013  
138  138   5  0.945  0.130  -0.535  
139  139   7  0.913  0.156  -0.192  
140  140   7  0.949  0.163  -0.271  
141  141  11  0.966  0.303   1.733  
142  142  12  0.772  0.384   3.171  
143  143  11  0.972  0.399   3.117  
144  144   8  0.921  0.327   2.044  
145  145   6  0.836  0.269   2.023  
146  146   8  0.917  0.238   0.796  
147  147   8  0.945  0.218   0.570  
148  148   6  0.961  0.195   0.408  
149  149   9  0.814  0.323   1.169  
150  150   7  0.952  0.189   0.289  
151  151   9  0.553  0.480   3.291  
152  152   8  0.890  0.306   1.704  
153  153   8  0.719  0.467   3.853  
154  154   8  0.734  0.436   3.565  
155  155   9  0.854  0.290   0.792  
156  156   9  0.803  0.284   0.724  
157  157   4  0.939  0.296   1.798  
158  158   8  0.925  0.376   2.740  
159  159  11  0.873  0.452   3.089  
160  160   4  0.951  0.439   3.697  
161  161   8  0.970  0.385   2.904  
162  162   7  0.959  0.416   3.438  
163  163   9  0.785  0.302   1.149  
164  164   7  0.958  0.318   2.001  
165  165  12  0.815  0.275   1.509  
166  166   7  0.968  0.176  -0.081  
167  167   9  0.777  0.284   0.933  
168  168   7  0.951  0.164  -0.042  
169  169  12  0.946  0.154  -0.335  
170  170   4  0.786  0.171   0.138  
171  171   8  0.676  0.489   4.293  
172  172   9  0.755  0.384   2.136  
173  173   7  0.883  0.289   1.576  
174  174   9  0.804  0.326   1.645  
175  175   8  0.924  0.189  -0.038  
176  176   7  0.833  0.222   0.594  
177  177   9  0.876  0.199  -0.090  
178  178   6  0.895  0.214   0.673  
179  179   4  0.922  0.114  -0.619  
180  180   4  0.971  0.094  -0.884  
181  181   4  0.937  0.118  -0.566  
182  182   8  0.974  0.124  -0.960  
183  183   7  0.941  0.151  -0.447  
184  184   9  0.935  0.315   1.078  
185  185   7  0.957  0.281   1.642  
186  186   4  0.981  0.212   0.683  
187  187   4  0.963  0.214   0.709  
188  188   6  0.921  0.179   0.185  
189  189   8  0.955  0.152  -0.563  
190  190  11  0.943  0.150  -0.677  
191  191   8  0.975  0.183  -0.123  
192  192   6  0.935  0.193   0.380  
193  193   6  0.952  0.132  -0.249  
194  194   5  0.972  0.147  -0.289  
195  195   5  0.980  0.127  -0.579  
196  196   6  0.941  0.279   1.578  
197  197   4  0.945  0.279   1.572  
198  198  11  0.959  0.215   0.465  
199  199   8  0.860  0.190   0.185  
200  200  11  0.967  0.144  -0.558  
201  201   8  0.924  0.243   0.800  
202  202   6  0.889  0.262   1.341  
203  203   6  0.930  0.158  -0.107  
204  204  12  0.958  0.143  -0.503  
205  205   8  0.952  0.254   0.963  
206  206   6  0.933  0.348   2.539  
207  207  14  0.968  0.295   1.841  
208  208   7  0.952  0.206   0.359  
209  209  11  0.959  0.168  -0.453  
210  210   9  0.950  0.124  -0.890  
211  211   5  0.942  0.137  -0.434  
212  212   7  0.965  0.115  -0.747  
213  213   4  0.925  0.199   0.510  
214  214   9  0.896  0.250   0.336  
215  215   4  0.963  0.088  -0.964  
216  216   7  0.978  0.135  -0.459  
217  217   9  0.911  0.153  -0.644  
218  218  14  0.968  0.139  -0.505  
219  219   7  0.977  0.170  -0.169  
220  220   6  0.948  0.226   0.840  
221  221   6  0.956  0.155  -0.149  
222  222   8  0.944  0.190   0.015  
223  223   7  0.964  0.147  -0.324  
224  224   6  0.957  0.141  -0.344  
225  225   7  0.887  0.300   1.907  
226  226   6  0.941  0.232   0.923  
227  227   7  0.928  0.304   1.965  
228  228   8  0.875  0.202   0.315  
229  229   8  0.941  0.305   1.719  
230  230  10  0.958  0.144  -0.429  
231  231  12  0.961  0.168  -0.122  
232  232   5  0.984  0.085  -1.187  
233  233   8  0.876  0.317   1.850  
234  234   6  0.947  0.231   0.909  
235  235   7  0.985  0.176  -0.081  
236  236   9  0.839  0.427   2.355  
237  237   4  0.920  0.152  -0.114  
238  238  11  0.960  0.183  -0.266  
239  239  11  0.941  0.153  -0.428  
240  240   7  0.921  0.140  -0.426  
241  241   8  0.972  0.188  -0.015  
242  242   6  0.954  0.237   0.993  
243  243  11  0.941  0.242   0.470  
244  244   8  0.908  0.216   0.502  
245  245   8  0.889  0.224   0.652  
246  246   5  0.933  0.197   0.434  
247  247   9  0.796  0.303   0.941  
248  248   5  0.976  0.101  -0.955  
249  249   6  0.949  0.215   0.687  
250  250   8  0.965  0.247   0.784  
251  251  11  0.886  0.279   1.388  
252  252   8  0.963  0.319   1.806  
253  253   9  0.864  0.243   0.604  
254  254   8  0.945  0.154  -0.274  
255  255   8  0.944  0.174  -0.034  
256  256   6  0.979  0.162  -0.052  
257  257   8  0.980  0.170  -0.308  
258  258  11  0.907  0.259   0.682  
259  259   7  0.895  0.208   0.389  
260  260   9  0.777  0.255   0.584  
261  261   8  0.937  0.174  -0.059  
262  262   7  0.978  0.172   0.041  
263  263   4  0.980  0.205   0.590  
264  264   7  0.975  0.193   0.169  
265  265  12  0.981  0.223   0.716  
266  266  12  0.893  0.207   0.473  
267  267   6  0.804  0.330   3.035  
268  268   5  0.895  0.244   1.114  
269  269  11  0.882  0.236   0.395  
270  270  11  0.943  0.190  -0.178  
271  271  12  0.941  0.204   0.427  
272  272   6  0.898  0.145  -0.033  
273  273  11  0.895  0.215   0.133  
274  274   4  0.906  0.191   0.404  
275  275   4  0.915  0.143  -0.234  
276  276   7  0.929  0.219   0.726  
277  277   6  0.871  0.193   0.763  
278  278  12  0.962  0.260   1.280  
279  279   8  0.983  0.175  -0.237  
280  280  11  0.968  0.189   0.091  
281  281   8  0.832  0.212   0.449  
282  282  10  0.697  0.303   1.845  
283  283  14  0.948  0.187   0.217  
284  284   4  0.926  0.182   0.284  
285  285   9  0.829  0.382   2.348  
286  286   4  0.960  0.080  -1.070  
287  287   7  0.959  0.115  -0.790  
288  288   7  0.941  0.168   0.016  
289  289   7  0.960  0.256   1.092  
290  290   8  0.960  0.242   0.785  
291  291   7  0.946  0.229   0.696  
292  292   6  0.942  0.133  -0.455  
293  293   6  0.932  0.257   1.272  
294  294   4  0.892  0.178   0.231  
295  295   6  0.805  0.271   1.467  
296  296   8  0.888  0.310   1.757  
297  297   8  0.961  0.151  -0.563  
298  298   9  0.742  0.375   2.260  
299  299   8  0.875  0.202   0.437  
300  300   7  0.959  0.201   0.464  
301  301   9  0.934  0.140  -0.689  
302  302   6  0.944  0.127  -0.539  
303  303   7  0.959  0.131  -0.517  
304  304   6  0.963  0.109  -0.790  
305  305   6  0.958  0.138  -0.386  
306  306   7  0.947  0.175  -0.095  
307  307   6  0.964  0.123  -0.595  
308  308   5  0.992  0.156  -0.159  
309  309   6  0.965  0.167   0.018  
310  310   7  0.954  0.266   1.239  
311  311   4  0.969  0.098  -0.831  
312  312   8  0.947  0.119  -0.793  
313  313  11  0.782  0.334   1.617  
314  314   7  0.973  0.137  -0.652  
315  315   7  0.969  0.108  -0.892  
316  316   8  0.967  0.149  -0.593  
317  317   7  0.921  0.223   0.784  
318  318   6  0.955  0.154   0.116  
319  319  11  0.822  0.430   2.814  
320  320   5  0.973  0.157  -0.145  
321  321   6  0.957  0.222   0.784  
322  322   9  0.929  0.210   0.189  
323  323   5  0.941  0.141  -0.376  
324  324   8  0.977  0.123  -0.978  
325  325   6  0.897  0.180   0.199  
326  326   6  0.949  0.145  -0.288  
327  327  14  0.935  0.163  -0.144  
328  328   8  0.945  0.257   0.926  
329  329   5  0.959  0.357   2.750  
330  330  14  0.954  0.362   2.848  
331  331  12  0.931  0.229   0.808  
332  332   9  0.959  0.178  -0.212  
333  333   9  0.938  0.128  -0.839  
334  334   9  0.918  0.261   0.462  
335  335   7  0.931  0.166  -0.013  
336  336   4  0.956  0.195   0.457  
337  337   9  0.920  0.280   0.678  
338  338   5  0.930  0.144  -0.333  
339  339   7  0.958  0.125  -0.603  
340  340   9  0.899  0.225   0.051  
341  341   8  0.946  0.168  -0.336  
342  342   8  0.961  0.162  -0.421  
343  343   8  0.915  0.253   0.948  
344  344  12  0.897  0.184   0.122  
345  345   4  0.970  0.111  -0.659  
346  346   5  0.957  0.138  -0.420  
347  347   6  0.928  0.183   0.241  
348  348   6  0.946  0.118  -0.664  
349  349   8  0.917  0.249   0.813  
350  350   9  0.902  0.170  -0.439  
351  351   6  0.945  0.306   1.954  
352  352   4  0.922  0.253   1.227  
353  353   7  0.983  0.139  -0.623  
354  354   7  0.965  0.138  -0.416  
355  355   6  0.900  0.184   0.255  
356  356  11  0.906  0.187  -0.216  
357  357  11  0.951  0.171  -0.169  
358  358   6  0.926  0.132  -0.469  
359  359   4  0.947  0.117  -0.579  
360  360   6  0.924  0.141  -0.344  
361  361   4  0.936  0.134  -0.353  
362  362   6  0.934  0.253   1.216  
363  363   4  0.954  0.084  -1.017  
364  364   7  0.966  0.164  -0.076  
365  365   8  0.880  0.225   0.622  
366  366  11  0.960  0.136  -0.673  
367  367   7  0.910  0.179   0.143  
368  368   8  0.957  0.205   0.189  
369  369   7  0.908  0.185   0.230  
370  370   8  0.926  0.209   0.296  
371  371   8  0.709  0.318   1.944  
372  372   6  0.880  0.126  -0.553  
373  373   8  0.970  0.249   0.813  
374  374   9  0.931  0.184  -0.137  
375  375   7  0.957  0.174   0.102  
376  376   9  0.862  0.266   0.716  
377  377   8  0.971  0.144  -0.459  
378  378  11  0.753  0.310   1.834  
379  379   5  0.974  0.180   0.188  
380  380   7  0.932  0.179   0.143  
381  381  12  0.974  0.279   1.570  
382  382  12  0.870  0.229   0.808  
383  383   6  0.901  0.260   1.874  
384  384   9  0.835  0.414   2.749  
385  385   9  0.970  0.312   1.469  
386  386   5  0.980  0.234   0.970  
387  387   5  0.961  0.238   1.027  
388  388  11  0.876  0.185  -0.241  
389  389  11  0.869  0.242   0.854  
390  390   7  0.920  0.196   0.419  
391  391   8  0.986  0.164  -0.370  
392  392   7  0.957  0.152  -0.251  
393  393  11  0.968  0.160  -0.327  
394  394   4  0.922  0.189   0.377  
395  395   9  0.832  0.299   1.306  
396  396   4  0.965  0.122  -0.513  
397  397   7  0.955  0.167  -0.032  
398  398  11  0.899  0.327   1.530  
399  399   8  0.971  0.193   0.018  
400  400   9  0.889  0.195  -0.138  
401  401   8  0.973  0.195   0.089  
402  402   9  0.820  0.323   1.169  
403  403   1  0.897  0.247       ?  
404  404   1  0.776  0.483       ?  
405  405   1  0.834  0.245       ?  
406  406   1  0.892  0.160       ?  
407  407   1  0.802  0.307       ?  
408  408   1  0.570  1.438       ?  
409  409   1  0.930  0.252       ?  
410  410   1  0.756  0.910       ?  
411  411   1  0.798  0.278       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
