data_7XED

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7XED
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7XED
_pdbx_vrpt_summary.PDB_deposition_date         2022-03-30
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-10-04
_pdbx_vrpt_summary.report_creation_date        2023-09-26:07:08
_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  "UBC core domain-containing protein"  
2  polymer  "U-box domain-containing protein 12"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  1  
D  2  
E  3  
F  3  
G  3  
H  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.5  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   38.61  141614     ?     ?  
 2  2  1   58.62    5346  2.50  2.50  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5231  2.50  2.50  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    5233  2.50  2.50  
 7  1  4   17.87  127900     ?     ?  
 8  2  4   18.67    4559  2.50  2.50  
 9  1  5   36.52  130704     ?     ?  
10  2  5   61.52    4661  2.50  2.50  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A   31.09  
 6  8  4  A  1  1  A   33.41  
 7  3  2  B  1  2  C  100.00  
 8  4  2  B  1  2  C  100.00  
 9  5  3  B  1  2  C  100.00  
10  6  3  B  1  2  C  100.00  
11  7  4  B  1  2  C   76.80  
12  8  4  B  1  2  C   78.50  
13  3  2  C  1  1  B  100.00  
14  4  2  C  1  1  B  100.00  
15  5  3  C  1  1  B  100.00  
16  6  3  C  1  1  B  100.00  
17  7  4  C  1  1  B    4.62  
18  8  4  C  1  1  B    4.17  
19  3  2  D  1  2  D  100.00  
20  4  2  D  1  2  D  100.00  
21  5  3  D  1  2  D  100.00  
22  6  3  D  1  2  D  100.00  
23  7  4  D  1  2  D   19.53  
24  8  4  D  1  2  D   20.60  
#
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  0.64  0.52  1171  1599  
2  1  2  B  C  0.65  0.51   612   835  
3  1  1  C  B  0.62  0.46  1139  1563  
4  1  2  D  D  0.68  0.51   620   846  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     7.51
_pdbx_vrpt_summary_geometry.num_H_reduce                   3351
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 3542
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.50
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                4843
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.64
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            59.979
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         75.072
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.43(2.51A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        19685
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.311
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.493
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.324
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.939
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               66.28
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[84.267,69.093,72.166,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.202
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.14% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.88
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1969
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.61
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        43.64
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
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    2  ALA  A    0  .  ?        ?  
  2  1  1  A    3  MET  A    1  .  ?        ?  
  3  1  1  A    4  ALA  A    2  .  ?        ?  
  4  1  1  A    5  SER  A    3  .  ?        ?  
  5  1  1  A    6  LYS  A    4  .  ?        ?  
  6  1  1  A    7  ARG  A    5  .  ?        2  
  7  1  1  A    8  ILE  A    6  .  ?        ?  
  8  1  1  A    9  LEU  A    7  .  ?        ?  
  9  1  1  A   10  LYS  A    8  .  ?        2  
 10  1  1  A   11  GLU  A    9  .  ?        ?  
 11  1  1  A   12  LEU  A   10  .  ?        1  
 12  1  1  A   13  LYS  A   11  .  ?        ?  
 13  1  1  A   14  ASP  A   12  .  ?        ?  
 14  1  1  A   15  LEU  A   13  .  ?        1  
 15  1  1  A   16  GLN  A   14  .  ?        ?  
 16  1  1  A   17  LYS  A   15  .  ?        ?  
 17  1  1  A   18  ASP  A   16  .  ?        ?  
 18  1  1  A   19  PRO  A   17  .  ?        ?  
 19  1  1  A   20  PRO  A   18  .  ?        1  
 20  1  1  A   21  THR  A   19  .  ?        ?  
 21  1  1  A   22  SER  A   20  .  ?        ?  
 22  1  1  A   23  CYS  A   21  .  ?        1  
 23  1  1  A   24  SER  A   22  .  ?        1  
 24  1  1  A   25  ALA  A   23  .  ?        1  
 25  1  1  A   26  GLY  A   24  .  ?        ?  
 26  1  1  A   27  PRO  A   25  .  ?        ?  
 27  1  1  A   28  VAL  A   26  .  ?        ?  
 28  1  1  A   29  GLY  A   27  .  ?        ?  
 29  1  1  A   30  GLU  A   28  .  ?        ?  
 30  1  1  A   31  ASP  A   29  .  ?        ?  
 31  1  1  A   32  MET  A   30  .  ?        ?  
 32  1  1  A   33  PHE  A   31  .  ?        ?  
 33  1  1  A   34  HIS  A   32  .  ?        ?  
 34  1  1  A   35  TRP  A   33  .  ?        2  
 35  1  1  A   36  GLN  A   34  .  ?        1  
 36  1  1  A   37  ALA  A   35  .  ?        1  
 37  1  1  A   38  THR  A   36  .  ?        ?  
 38  1  1  A   39  ILE  A   37  .  ?        ?  
 39  1  1  A   40  MET  A   38  .  ?        1  
 40  1  1  A   41  GLY  A   39  .  ?        ?  
 41  1  1  A   42  PRO  A   40  .  ?        1  
 42  1  1  A   43  ALA  A   41  .  ?        ?  
 43  1  1  A   44  ASP  A   42  .  ?        ?  
 44  1  1  A   45  SER  A   43  .  ?        2  
 45  1  1  A   46  PRO  A   44  .  ?        ?  
 46  1  1  A   47  TYR  A   45  .  ?        1  
 47  1  1  A   48  ALA  A   46  .  ?        ?  
 48  1  1  A   49  GLY  A   47  .  ?        ?  
 49  1  1  A   50  GLY  A   48  .  ?        ?  
 50  1  1  A   51  VAL  A   49  .  ?        1  
 51  1  1  A   52  PHE  A   50  .  ?        ?  
 52  1  1  A   53  LEU  A   51  .  ?        ?  
 53  1  1  A   54  VAL  A   52  .  ?        ?  
 54  1  1  A   55  SER  A   53  .  ?        ?  
 55  1  1  A   56  ILE  A   54  .  ?        1  
 56  1  1  A   57  HIS  A   55  .  ?        ?  
 57  1  1  A   58  PHE  A   56  .  ?        ?  
 58  1  1  A   59  PRO  A   57  .  ?        1  
 59  1  1  A   60  PRO  A   58  .  ?        ?  
 60  1  1  A   61  ASP  A   59  .  ?        ?  
 61  1  1  A   62  TYR  A   60  .  ?        2  
 62  1  1  A   63  PRO  A   61  .  ?        2  
 63  1  1  A   64  PHE  A   62  .  ?        2  
 64  1  1  A   65  LYS  A   63  .  ?        ?  
 65  1  1  A   66  PRO  A   64  .  ?        ?  
 66  1  1  A   67  PRO  A   65  .  ?        ?  
 67  1  1  A   68  LYS  A   66  .  ?        ?  
 68  1  1  A   69  VAL  A   67  .  ?        ?  
 69  1  1  A   70  ALA  A   68  .  ?        ?  
 70  1  1  A   71  PHE  A   69  .  ?        ?  
 71  1  1  A   72  LYS  A   70  .  ?        1  
 72  1  1  A   73  THR  A   71  .  ?        ?  
 73  1  1  A   74  LYS  A   72  .  ?        ?  
 74  1  1  A   75  VAL  A   73  .  ?        ?  
 75  1  1  A   76  PHE  A   74  .  ?        ?  
 76  1  1  A   77  HIS  A   75  .  ?        ?  
 77  1  1  A   78  PRO  A   76  .  ?        ?  
 78  1  1  A   79  ASN  A   77  .  ?        2  
 79  1  1  A   80  ILE  A   78  .  ?        ?  
 80  1  1  A   81  ASN  A   79  .  ?        ?  
 81  1  1  A   82  SER  A   80  .  ?        ?  
 82  1  1  A   83  ASN  A   81  .  ?        ?  
 83  1  1  A   84  GLY  A   82  .  ?        ?  
 84  1  1  A   85  SER  A   83  .  ?        ?  
 85  1  1  A   86  ILE  A   84  .  ?        ?  
 86  1  1  A   87  CYS  A   85  .  ?        ?  
 87  1  1  A   88  LEU  A   86  .  ?        ?  
 88  1  1  A   89  ASP  A   87  .  ?        ?  
 89  1  1  A   90  ILE  A   88  .  ?        ?  
 90  1  1  A   91  LEU  A   89  .  ?        ?  
 91  1  1  A   92  LYS  A   90  .  ?        ?  
 92  1  1  A   93  GLU  A   91  .  ?        ?  
 93  1  1  A   94  GLN  A   92  .  ?        ?  
 94  1  1  A   95  TRP  A   93  .  ?        ?  
 95  1  1  A   96  SER  A   94  .  ?        ?  
 96  1  1  A   97  PRO  A   95  .  ?        3  
 97  1  1  A   98  ALA  A   96  .  ?        ?  
 98  1  1  A   99  LEU  A   97  .  ?        ?  
 99  1  1  A  100  THR  A   98  .  ?        1  
100  1  1  A  101  VAL  A   99  .  ?        ?  
101  1  1  A  102  SER  A  100  .  ?        ?  
102  1  1  A  103  LYS  A  101  .  ?        1  
103  1  1  A  104  VAL  A  102  .  ?        ?  
104  1  1  A  105  LEU  A  103  .  ?        ?  
105  1  1  A  106  LEU  A  104  .  ?        ?  
106  1  1  A  107  SER  A  105  .  ?        ?  
107  1  1  A  108  ILE  A  106  .  ?        ?  
108  1  1  A  109  CYS  A  107  .  ?        ?  
109  1  1  A  110  SER  A  108  .  ?        ?  
110  1  1  A  111  LEU  A  109  .  ?        2  
111  1  1  A  112  LEU  A  110  .  ?        ?  
112  1  1  A  113  THR  A  111  .  ?        ?  
113  1  1  A  114  ASP  A  112  .  ?        ?  
114  1  1  A  115  PRO  A  113  .  ?        ?  
115  1  1  A  116  ASN  A  114  .  ?        ?  
116  1  1  A  117  PRO  A  115  .  ?        ?  
117  1  1  A  118  ASP  A  116  .  ?        ?  
118  1  1  A  119  ASP  A  117  .  ?        ?  
119  1  1  A  120  PRO  A  118  .  ?        ?  
120  1  1  A  121  LEU  A  119  .  ?        ?  
121  1  1  A  122  VAL  A  120  .  ?        ?  
122  1  1  A  123  PRO  A  121  .  ?        ?  
123  1  1  A  124  GLU  A  122  .  ?        ?  
124  1  1  A  125  ILE  A  123  .  ?        ?  
125  1  1  A  126  ALA  A  124  .  ?        ?  
126  1  1  A  127  HIS  A  125  .  ?        ?  
127  1  1  A  128  MET  A  126  .  ?        ?  
128  1  1  A  129  TYR  A  127  .  ?        ?  
129  1  1  A  130  LYS  A  128  .  ?        ?  
130  1  1  A  131  THR  A  129  .  ?        ?  
131  1  1  A  132  ASP  A  130  .  ?        ?  
132  1  1  A  133  ARG  A  131  .  ?        ?  
133  1  1  A  134  ALA  A  132  .  ?        ?  
134  1  1  A  135  LYS  A  133  .  ?        ?  
135  1  1  A  136  TYR  A  134  .  ?        ?  
136  1  1  A  137  GLU  A  135  .  ?        1  
137  1  1  A  138  SER  A  136  .  ?        ?  
138  1  1  A  139  THR  A  137  .  ?        ?  
139  1  1  A  140  ALA  A  138  .  ?        ?  
140  1  1  A  141  ARG  A  139  .  ?        1  
141  1  1  A  142  GLY  A  140  .  ?        ?  
142  1  1  A  143  TRP  A  141  .  ?        ?  
143  1  1  A  144  THR  A  142  .  ?        ?  
144  1  1  A  145  GLN  A  143  .  ?        ?  
145  1  1  A  146  LYS  A  144  .  ?        ?  
146  1  1  A  147  TYR  A  145  .  ?        ?  
147  1  1  A  148  ALA  A  146  .  ?        ?  
148  1  1  A  149  MET  A  147  .  ?        ?  
149  1  1  A  150  GLY  A  148  .  ?        ?  
150  1  2  B    4  ILE  C  227  .  ?        1  
151  1  2  B    5  ILE  C  228  .  ?        ?  
152  1  2  B    6  PRO  C  229  .  ?        ?  
153  1  2  B    7  ASP  C  230  .  ?        ?  
154  1  2  B    8  GLU  C  231  .  ?        ?  
155  1  2  B    9  PHE  C  232  .  ?        ?  
156  1  2  B   10  ARG  C  233  .  ?        ?  
157  1  2  B   11  CYS  C  234  .  ?        ?  
158  1  2  B   12  PRO  C  235  .  ?        ?  
159  1  2  B   13  ILE  C  236  .  ?        2  
160  1  2  B   14  SER  C  237  .  ?        ?  
161  1  2  B   15  LEU  C  238  .  ?        1  
162  1  2  B   16  GLU  C  239  .  ?        ?  
163  1  2  B   17  LEU  C  240  .  ?        1  
164  1  2  B   18  MET  C  241  .  ?        ?  
165  1  2  B   19  GLN  C  242  .  ?        ?  
166  1  2  B   20  ASP  C  243  .  ?        ?  
167  1  2  B   21  PRO  C  244  .  ?        ?  
168  1  2  B   22  VAL  C  245  .  ?        ?  
169  1  2  B   23  ILE  C  246  .  ?        ?  
170  1  2  B   24  VAL  C  247  .  ?        ?  
171  1  2  B   25  SER  C  248  .  ?        ?  
172  1  2  B   26  SER  C  249  .  ?        ?  
173  1  2  B   27  GLY  C  250  .  ?        ?  
174  1  2  B   28  GLN  C  251  .  ?        ?  
175  1  2  B   29  THR  C  252  .  ?        ?  
176  1  2  B   30  TYR  C  253  .  ?        ?  
177  1  2  B   31  GLU  C  254  .  ?        ?  
178  1  2  B   32  ARG  C  255  .  ?        ?  
179  1  2  B   33  SER  C  256  .  ?        ?  
180  1  2  B   34  CYS  C  257  .  ?        ?  
181  1  2  B   35  ILE  C  258  .  ?        ?  
182  1  2  B   36  GLN  C  259  .  ?        ?  
183  1  2  B   37  LYS  C  260  .  ?        2  
184  1  2  B   38  TRP  C  261  .  ?        ?  
185  1  2  B   39  LEU  C  262  .  ?        ?  
186  1  2  B   40  ASP  C  263  .  ?        ?  
187  1  2  B   41  SER  C  264  .  ?        ?  
188  1  2  B   42  GLY  C  265  .  ?        ?  
189  1  2  B   43  HIS  C  266  .  ?        ?  
190  1  2  B   44  LYS  C  267  .  ?        ?  
191  1  2  B   45  THR  C  268  .  ?        ?  
192  1  2  B   46  CYS  C  269  .  ?        ?  
193  1  2  B   47  PRO  C  270  .  ?        1  
194  1  2  B   48  LYS  C  271  .  ?        ?  
195  1  2  B   49  THR  C  272  .  ?        ?  
196  1  2  B   50  GLN  C  273  .  ?        ?  
197  1  2  B   51  GLN  C  274  .  ?        ?  
198  1  2  B   52  PRO  C  275  .  ?        ?  
199  1  2  B   53  LEU  C  276  .  ?        ?  
200  1  2  B   54  SER  C  277  .  ?        ?  
201  1  2  B   55  HIS  C  278  .  ?        ?  
202  1  2  B   56  THR  C  279  .  ?        ?  
203  1  2  B   57  SER  C  280  .  ?        ?  
204  1  2  B   58  LEU  C  281  .  ?        ?  
205  1  2  B   59  THR  C  282  .  ?        ?  
206  1  2  B   60  PRO  C  283  .  ?        ?  
207  1  2  B   61  ASN  C  284  .  ?        ?  
208  1  2  B   62  PHE  C  285  .  ?        ?  
209  1  2  B   63  VAL  C  286  .  ?        ?  
210  1  2  B   64  LEU  C  287  .  ?        ?  
211  1  2  B   65  LYS  C  288  .  ?        ?  
212  1  2  B   66  SER  C  289  .  ?        ?  
213  1  2  B   67  LEU  C  290  .  ?        ?  
214  1  2  B   68  ILE  C  291  .  ?        ?  
215  1  2  B   69  SER  C  292  .  ?        ?  
216  1  2  B   70  GLN  C  293  .  ?        ?  
217  1  2  B   71  TRP  C  294  .  ?        1  
218  1  2  B   72  CYS  C  295  .  ?        ?  
219  1  2  B   73  GLU  C  296  .  ?        ?  
220  1  2  B   74  ALA  C  297  .  ?        ?  
221  1  2  B   75  ASN  C  298  .  ?        ?  
222  1  2  B   76  GLY  C  299  .  ?        ?  
223  1  2  B   77  ILE  C  300  .  ?        1  
224  1  2  B   78  GLU  C  301  .  ?        ?  
225  1  2  B   79  LEU  C  302  .  ?        ?  
226  1  2  B   80  PRO  C  303  .  ?        1  
227  1  1  C    2  ALA  B    0  .  ?        ?  
228  1  1  C    3  MET  B    1  .  ?        ?  
229  1  1  C    4  ALA  B    2  .  ?        ?  
230  1  1  C    5  SER  B    3  .  ?        ?  
231  1  1  C    6  LYS  B    4  .  ?        ?  
232  1  1  C    7  ARG  B    5  .  ?        ?  
233  1  1  C    8  ILE  B    6  .  ?        ?  
234  1  1  C    9  LEU  B    7  .  ?        ?  
235  1  1  C   10  LYS  B    8  .  ?        ?  
236  1  1  C   11  GLU  B    9  .  ?        1  
237  1  1  C   12  LEU  B   10  .  ?        ?  
238  1  1  C   13  LYS  B   11  .  ?        ?  
239  1  1  C   14  ASP  B   12  .  ?        ?  
240  1  1  C   15  LEU  B   13  .  ?        3  
241  1  1  C   16  GLN  B   14  .  ?        ?  
242  1  1  C   17  LYS  B   15  .  ?        ?  
243  1  1  C   18  ASP  B   16  .  ?        ?  
244  1  1  C   19  PRO  B   17  .  ?        ?  
245  1  1  C   20  PRO  B   18  .  ?        3  
246  1  1  C   21  THR  B   19  .  ?        ?  
247  1  1  C   22  SER  B   20  .  ?        ?  
248  1  1  C   23  CYS  B   21  .  ?        1  
249  1  1  C   24  SER  B   22  .  ?        ?  
250  1  1  C   25  ALA  B   23  .  ?        ?  
251  1  1  C   26  GLY  B   24  .  ?        ?  
252  1  1  C   27  PRO  B   25  .  ?        ?  
253  1  1  C   28  VAL  B   26  .  ?        ?  
254  1  1  C   29  GLY  B   27  .  ?        ?  
255  1  1  C   30  GLU  B   28  .  ?        ?  
256  1  1  C   31  ASP  B   29  .  ?        ?  
257  1  1  C   32  MET  B   30  .  ?        ?  
258  1  1  C   33  PHE  B   31  .  ?        ?  
259  1  1  C   34  HIS  B   32  .  ?        ?  
260  1  1  C   35  TRP  B   33  .  ?        ?  
261  1  1  C   36  GLN  B   34  .  ?        ?  
262  1  1  C   37  ALA  B   35  .  ?        ?  
263  1  1  C   38  THR  B   36  .  ?        ?  
264  1  1  C   39  ILE  B   37  .  ?        ?  
265  1  1  C   40  MET  B   38  .  ?        ?  
266  1  1  C   41  GLY  B   39  .  ?        ?  
267  1  1  C   42  PRO  B   40  .  ?        ?  
268  1  1  C   43  ALA  B   41  .  ?        ?  
269  1  1  C   44  ASP  B   42  .  ?        ?  
270  1  1  C   45  SER  B   43  .  ?        ?  
271  1  1  C   46  PRO  B   44  .  ?        1  
272  1  1  C   47  TYR  B   45  .  ?        ?  
273  1  1  C   48  ALA  B   46  .  ?        ?  
274  1  1  C   49  GLY  B   47  .  ?        ?  
275  1  1  C   50  GLY  B   48  .  ?        ?  
276  1  1  C   51  VAL  B   49  .  ?        ?  
277  1  1  C   52  PHE  B   50  .  ?        ?  
278  1  1  C   53  LEU  B   51  .  ?        ?  
279  1  1  C   54  VAL  B   52  .  ?        ?  
280  1  1  C   55  SER  B   53  .  ?        ?  
281  1  1  C   56  ILE  B   54  .  ?        1  
282  1  1  C   57  HIS  B   55  .  ?        ?  
283  1  1  C   58  PHE  B   56  .  ?        ?  
284  1  1  C   59  PRO  B   57  .  ?        1  
285  1  1  C   60  PRO  B   58  .  ?        ?  
286  1  1  C   61  ASP  B   59  .  ?        ?  
287  1  1  C   62  TYR  B   60  .  ?        ?  
288  1  1  C   63  PRO  B   61  .  ?        ?  
289  1  1  C   64  PHE  B   62  .  ?        ?  
290  1  1  C   65  LYS  B   63  .  ?        ?  
291  1  1  C   66  PRO  B   64  .  ?        1  
292  1  1  C   67  PRO  B   65  .  ?        1  
293  1  1  C   68  LYS  B   66  .  ?        ?  
294  1  1  C   69  VAL  B   67  .  ?        1  
295  1  1  C   70  ALA  B   68  .  ?        ?  
296  1  1  C   71  PHE  B   69  .  ?        ?  
297  1  1  C   72  LYS  B   70  .  ?        ?  
298  1  1  C   73  THR  B   71  .  ?        ?  
299  1  1  C   74  LYS  B   72  .  ?        ?  
300  1  1  C   75  VAL  B   73  .  ?        ?  
301  1  1  C   76  PHE  B   74  .  ?        ?  
302  1  1  C   77  HIS  B   75  .  ?        2  
303  1  1  C   78  PRO  B   76  .  ?        ?  
304  1  1  C   79  ASN  B   77  .  ?        1  
305  1  1  C   80  ILE  B   78  .  ?        ?  
306  1  1  C   81  ASN  B   79  .  ?        ?  
307  1  1  C   82  SER  B   80  .  ?        ?  
308  1  1  C   83  ASN  B   81  .  ?        ?  
309  1  1  C   84  GLY  B   82  .  ?        ?  
310  1  1  C   85  SER  B   83  .  ?        ?  
311  1  1  C   86  ILE  B   84  .  ?        ?  
312  1  1  C   87  CYS  B   85  .  ?        ?  
313  1  1  C   88  LEU  B   86  .  ?        1  
314  1  1  C   89  ASP  B   87  .  ?        1  
315  1  1  C   90  ILE  B   88  .  ?        1  
316  1  1  C   91  LEU  B   89  .  ?        ?  
317  1  1  C   92  LYS  B   90  .  ?        ?  
318  1  1  C   93  GLU  B   91  .  ?        ?  
319  1  1  C   94  GLN  B   92  .  ?        ?  
320  1  1  C   95  TRP  B   93  .  ?        1  
321  1  1  C   96  SER  B   94  .  ?        ?  
322  1  1  C   97  PRO  B   95  .  ?        2  
323  1  1  C   98  ALA  B   96  .  ?        ?  
324  1  1  C   99  LEU  B   97  .  ?        ?  
325  1  1  C  100  THR  B   98  .  ?        1  
326  1  1  C  101  VAL  B   99  .  ?        1  
327  1  1  C  102  SER  B  100  .  ?        1  
328  1  1  C  103  LYS  B  101  .  ?        ?  
329  1  1  C  104  VAL  B  102  .  ?        1  
330  1  1  C  105  LEU  B  103  .  ?        ?  
331  1  1  C  106  LEU  B  104  .  ?        ?  
332  1  1  C  107  SER  B  105  .  ?        1  
333  1  1  C  108  ILE  B  106  .  ?        ?  
334  1  1  C  109  CYS  B  107  .  ?        ?  
335  1  1  C  110  SER  B  108  .  ?        ?  
336  1  1  C  111  LEU  B  109  .  ?        1  
337  1  1  C  112  LEU  B  110  .  ?        ?  
338  1  1  C  113  THR  B  111  .  ?        ?  
339  1  1  C  114  ASP  B  112  .  ?        ?  
340  1  1  C  115  PRO  B  113  .  ?        1  
341  1  1  C  116  ASN  B  114  .  ?        ?  
342  1  1  C  117  PRO  B  115  .  ?        ?  
343  1  1  C  118  ASP  B  116  .  ?        ?  
344  1  1  C  119  ASP  B  117  .  ?        1  
345  1  1  C  120  PRO  B  118  .  ?        ?  
346  1  1  C  121  LEU  B  119  .  ?        ?  
347  1  1  C  122  VAL  B  120  .  ?        ?  
348  1  1  C  123  PRO  B  121  .  ?        ?  
349  1  1  C  124  GLU  B  122  .  ?        ?  
350  1  1  C  125  ILE  B  123  .  ?        ?  
351  1  1  C  126  ALA  B  124  .  ?        ?  
352  1  1  C  127  HIS  B  125  .  ?        ?  
353  1  1  C  128  MET  B  126  .  ?        ?  
354  1  1  C  129  TYR  B  127  .  ?        ?  
355  1  1  C  130  LYS  B  128  .  ?        ?  
356  1  1  C  131  THR  B  129  .  ?        ?  
357  1  1  C  132  ASP  B  130  .  ?        ?  
358  1  1  C  133  ARG  B  131  .  ?        ?  
359  1  1  C  134  ALA  B  132  .  ?        ?  
360  1  1  C  135  LYS  B  133  .  ?        1  
361  1  1  C  136  TYR  B  134  .  ?        ?  
362  1  1  C  137  GLU  B  135  .  ?        1  
363  1  1  C  138  SER  B  136  .  ?        ?  
364  1  1  C  139  THR  B  137  .  ?        1  
365  1  1  C  140  ALA  B  138  .  ?        1  
366  1  1  C  141  ARG  B  139  .  ?        1  
367  1  1  C  142  GLY  B  140  .  ?        ?  
368  1  1  C  143  TRP  B  141  .  ?        ?  
369  1  1  C  144  THR  B  142  .  ?        ?  
370  1  1  C  145  GLN  B  143  .  ?        ?  
371  1  1  C  146  LYS  B  144  .  ?        ?  
372  1  1  C  147  TYR  B  145  .  ?        ?  
373  1  1  C  148  ALA  B  146  .  ?        ?  
374  1  1  C  149  MET  B  147  .  ?        ?  
375  1  1  C  150  GLY  B  148  .  ?        ?  
376  1  2  D    2  ALA  D  225  .  ?        ?  
377  1  2  D    3  MET  D  226  .  ?        ?  
378  1  2  D    4  ILE  D  227  .  ?        ?  
379  1  2  D    5  ILE  D  228  .  ?        ?  
380  1  2  D    6  PRO  D  229  .  ?        ?  
381  1  2  D    7  ASP  D  230  .  ?        ?  
382  1  2  D    8  GLU  D  231  .  ?        ?  
383  1  2  D    9  PHE  D  232  .  ?        ?  
384  1  2  D   10  ARG  D  233  .  ?        ?  
385  1  2  D   11  CYS  D  234  .  ?        1  
386  1  2  D   12  PRO  D  235  .  ?        ?  
387  1  2  D   13  ILE  D  236  .  ?        1  
388  1  2  D   14  SER  D  237  .  ?        1  
389  1  2  D   15  LEU  D  238  .  ?        ?  
390  1  2  D   16  GLU  D  239  .  ?        ?  
391  1  2  D   17  LEU  D  240  .  ?        ?  
392  1  2  D   18  MET  D  241  .  ?        ?  
393  1  2  D   19  GLN  D  242  .  ?        ?  
394  1  2  D   20  ASP  D  243  .  ?        ?  
395  1  2  D   21  PRO  D  244  .  ?        ?  
396  1  2  D   22  VAL  D  245  .  ?        ?  
397  1  2  D   23  ILE  D  246  .  ?        ?  
398  1  2  D   24  VAL  D  247  .  ?        ?  
399  1  2  D   25  SER  D  248  .  ?        ?  
400  1  2  D   26  SER  D  249  .  ?        ?  
401  1  2  D   27  GLY  D  250  .  ?        ?  
402  1  2  D   28  GLN  D  251  .  ?        ?  
403  1  2  D   29  THR  D  252  .  ?        ?  
404  1  2  D   30  TYR  D  253  .  ?        1  
405  1  2  D   31  GLU  D  254  .  ?        ?  
406  1  2  D   32  ARG  D  255  .  ?        ?  
407  1  2  D   33  SER  D  256  .  ?        ?  
408  1  2  D   34  CYS  D  257  .  ?        ?  
409  1  2  D   35  ILE  D  258  .  ?        ?  
410  1  2  D   36  GLN  D  259  .  ?        ?  
411  1  2  D   37  LYS  D  260  .  ?        ?  
412  1  2  D   38  TRP  D  261  .  ?        ?  
413  1  2  D   39  LEU  D  262  .  ?        ?  
414  1  2  D   40  ASP  D  263  .  ?        ?  
415  1  2  D   41  SER  D  264  .  ?        ?  
416  1  2  D   42  GLY  D  265  .  ?        ?  
417  1  2  D   43  HIS  D  266  .  ?        ?  
418  1  2  D   44  LYS  D  267  .  ?        ?  
419  1  2  D   45  THR  D  268  .  ?        ?  
420  1  2  D   46  CYS  D  269  .  ?        1  
421  1  2  D   47  PRO  D  270  .  ?        1  
422  1  2  D   48  LYS  D  271  .  ?        ?  
423  1  2  D   49  THR  D  272  .  ?        ?  
424  1  2  D   50  GLN  D  273  .  ?        ?  
425  1  2  D   51  GLN  D  274  .  ?        ?  
426  1  2  D   52  PRO  D  275  .  ?        ?  
427  1  2  D   53  LEU  D  276  .  ?        2  
428  1  2  D   54  SER  D  277  .  ?        ?  
429  1  2  D   55  HIS  D  278  .  ?        ?  
430  1  2  D   56  THR  D  279  .  ?        ?  
431  1  2  D   57  SER  D  280  .  ?        ?  
432  1  2  D   58  LEU  D  281  .  ?        ?  
433  1  2  D   59  THR  D  282  .  ?        ?  
434  1  2  D   60  PRO  D  283  .  ?        ?  
435  1  2  D   61  ASN  D  284  .  ?        ?  
436  1  2  D   62  PHE  D  285  .  ?        ?  
437  1  2  D   63  VAL  D  286  .  ?        ?  
438  1  2  D   64  LEU  D  287  .  ?        2  
439  1  2  D   65  LYS  D  288  .  ?        ?  
440  1  2  D   66  SER  D  289  .  ?        ?  
441  1  2  D   67  LEU  D  290  .  ?        ?  
442  1  2  D   68  ILE  D  291  .  ?        ?  
443  1  2  D   69  SER  D  292  .  ?        ?  
444  1  2  D   70  GLN  D  293  .  ?        ?  
445  1  2  D   71  TRP  D  294  .  ?        1  
446  1  2  D   72  CYS  D  295  .  ?        ?  
447  1  2  D   73  GLU  D  296  .  ?        ?  
448  1  2  D   74  ALA  D  297  .  ?        ?  
449  1  2  D   75  ASN  D  298  .  ?        ?  
450  1  2  D   76  GLY  D  299  .  ?        ?  
451  1  2  D   77  ILE  D  300  .  ?        2  
452  1  2  D   78  GLU  D  301  .  ?        1  
453  1  2  D   79  LEU  D  302  .  ?        ?  
454  1  2  D   80  PRO  D  303  .  ?        ?  
455  1  3  E    .  HOH  A  201  .  ?        ?  
456  1  3  E    .  HOH  A  202  .  ?        ?  
457  1  3  E    .  HOH  A  203  .  ?        ?  
458  1  3  E    .  HOH  A  204  .  ?        ?  
459  1  3  F    .  HOH  C  401  .  ?        1  
460  1  3  F    .  HOH  C  402  .  ?        ?  
461  1  3  F    .  HOH  C  403  .  ?        ?  
462  1  3  F    .  HOH  C  404  .  ?        ?  
463  1  3  F    .  HOH  C  405  .  ?        ?  
464  1  3  F    .  HOH  C  406  .  ?        ?  
465  1  3  F    .  HOH  C  407  .  ?        ?  
466  1  3  F    .  HOH  C  408  .  ?        ?  
467  1  3  F    .  HOH  C  409  .  ?        ?  
468  1  3  G    .  HOH  B  201  .  ?        ?  
469  1  3  G    .  HOH  B  202  .  ?        ?  
470  1  3  G    .  HOH  B  203  .  ?        ?  
471  1  3  G    .  HOH  B  204  .  ?        ?  
472  1  3  G    .  HOH  B  205  .  ?        ?  
473  1  3  G    .  HOH  B  206  .  ?        ?  
474  1  3  G    .  HOH  B  207  .  ?        ?  
475  1  3  H    .  HOH  D  401  .  ?        ?  
476  1  3  H    .  HOH  D  402  .  ?        ?  
477  1  3  H    .  HOH  D  403  .  ?        ?  
478  1  3  H    .  HOH  D  404  .  ?        ?  
479  1  3  H    .  HOH  D  405  .  ?        ?  
480  1  3  H    .  HOH  D  406  .  ?        ?  
#
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  ?             ?       ?  ?        ?        7   91.280     5  0.40     7  0.81  molprobity  1.000  
  2    2  tmm?      -57.3   -47.6  Favored  ?        9   94.300     8  0.48    10  0.31  molprobity  1.000  
  3    3  ?         -57.3   -31.9  Favored  ?        5   86.810     5  0.15     7  0.52  molprobity  1.000  
  4    4  t         -70.2   -47.9  Favored  ?        5   93.850     6  0.45     8  0.50  molprobity  1.000  
  5    5  mttt      -61.7   -41.0  Favored  ?       13   90.690     9  0.32    11  0.28  molprobity  1.000  
  6    6  tpt180    -60.7   -43.6  Favored  ?       13   74.240    11  0.59    14  1.01  molprobity  1.000  
  7    7  mt        -65.0   -46.2  Favored  ?       11   78.190     8  0.37    11  0.59  molprobity  1.000  
  8    8  ?         -55.0   -48.0  Favored  ?        4   81.650     6  0.29     8  0.55  molprobity  1.000  
  9    9  tppt?     -68.1   -32.9  Favored  ?       13   83.500     9  0.36    11  0.54  molprobity  1.000  
 10   10  tt0       -65.9   -38.7  Favored  ?        6   78.240     9  0.60    12  0.29  molprobity  1.000  
 11   11  tp        -63.8   -45.5  Favored  ?       11   82.160     8  0.62    11  0.79  molprobity  1.000  
 12   12  ?         -55.8   -49.8  Favored  ?        6   87.900     7  0.50     9  0.48  molprobity  1.000  
 13   13  m-20      -65.8   -35.7  Favored  ?        4   89.920     8  0.78    11  1.22  molprobity  1.000  
 14   14  tp        -63.8   -38.0  Favored  ?       11   90.340     8  0.32    11  0.54  molprobity  1.000  
 15   15  mt-30     -81.4   -13.6  Favored  ?        8   96.480     9  0.95    12  0.97  molprobity  1.000  
 16   16  tttt      -74.0   -58.0  Favored  ?       13  104.530     9  0.28    11  0.49  molprobity  1.000  
 17   17  m-20     -117.6    90.6  Favored  ?        4  104.440     8  0.39    12  0.56  molprobity  1.000  
 18   18  Cg_exo    -76.9   154.0  Favored  ?        7   86.720     8  0.59    12  0.55  molprobity  1.000  
 19   19  Cg_endo   -72.7   162.7  Favored  ?        7   83.310     8  0.13    11  0.66  molprobity  1.000  
 20   20  m         -60.0   -46.8  Favored  ?        7   89.140     7  0.32    10  0.61  molprobity  1.000  
 21   21  m        -122.0    39.1  Favored  ?        5   75.490     6  0.27     8  0.35  molprobity  1.000  
 22   22  m        -148.9   153.0  Favored  ?        5   70.960     6  0.81     8  0.90  molprobity  1.000  
 23   23  t        -142.6   139.7  Favored  ?        5   69.340     6  0.48     8  0.54  molprobity  1.000  
 24   24  ?        -147.5   153.4  Favored  ?        5   75.510     5  0.37     7  0.78  molprobity  1.000  
 25   25  ?        -168.1   169.6  Favored  ?        3   78.610     4  0.85     6  0.60  molprobity  1.000  
 26   26  Cg_endo   -62.7   150.2  Favored  ?        7   88.440     8  0.31    11  0.41  molprobity  1.000  
 27   27  t         -79.9    95.5  Favored  ?        9   96.720     7  0.33    10  0.51  molprobity  1.000  
 28   28  ?          65.1  -108.0  Favored  ?        3  105.310     4  0.41     5  0.29  molprobity  1.000  
 29   29  ?        -121.9    -5.0  Favored  ?        2  108.930     5  0.31     7  0.67  molprobity  1.000  
 30   30  t0        -82.4    88.1  Favored  ?        4   99.390     8  0.44    11  0.76  molprobity  1.000  
 31   31  mtt       -77.0     6.6  Favored  ?        9  103.930     8  0.57    10  0.79  molprobity  1.000  
 32   32  m-85      -85.9    -1.3  Favored  ?        9   92.240    12  0.55    16  0.48  molprobity  1.000  
 33   33  t-160    -130.9   121.2  Favored  ?        7   91.460    11  0.15    15  0.45  molprobity  1.000  
 34   34  m0       -126.2   142.0  Favored  ?       10   80.910    16  0.83    23  0.65  molprobity  1.000  
 35   35  tt0      -109.8   133.2  Favored  ?        8   83.740     9  0.56    12  0.85  molprobity  1.000  
 36   36  ?        -120.4   147.0  Favored  ?        5   75.910     5  0.34     7  0.34  molprobity  1.000  
 37   37  m        -123.5   130.2  Favored  ?        7   73.520     7  0.47    10  0.71  molprobity  1.000  
 38   38  mt       -121.1   133.8  Favored  ?       11   71.360     8  0.52    11  0.69  molprobity  1.000  
 39   39  mmm       -91.0   139.1  Favored  ?        9   79.560     8  0.58    10  0.56  molprobity  1.000  
 40   40  ?         -60.8   126.3  Favored  ?        3   74.070     4  0.96     6  0.86  molprobity  1.000  
 41   41  Cg_exo    -51.3   149.0  Favored  ?        7   76.950     8  0.23    11  0.53  molprobity  1.000  
 42   42  ?         -77.0   -32.1  Favored  ?        5   87.390     5  0.21     7  0.58  molprobity  1.000  
 43   43  ?         -65.2    -2.8  Favored  ?        2   89.410     5  0.41     7  0.80  molprobity  1.000  
 44   44  m        -108.7   155.5  Favored  ?        5   82.690     6  1.24     9  0.84  molprobity  1.000  
 45   45  Cg_endo   -70.8    11.7  Allowed  ?        7   80.600     8  0.30    11  0.42  molprobity  1.000  
 46   46  m-85     -110.8    -2.8  Favored  ?        9   72.550    13  0.57    18  0.32  molprobity  1.000  
 47   47  ?         -50.6   144.1  Favored  ?        5   71.980     5  0.34     7  0.37  molprobity  1.000  
 48   48  ?          75.4     3.6  Favored  ?        3   74.220     4  0.43     5  0.44  molprobity  1.000  
 49   49  ?        -101.9   141.4  Favored  ?        3   79.550     4  0.32     5  0.67  molprobity  1.000  
 50   50  t        -106.9   120.2  Favored  ?        9   77.470     7  0.73    10  0.61  molprobity  1.000  
 51   51  m-85     -115.8   125.1  Favored  ?        9   72.920    12  0.79    16  0.43  molprobity  1.000  
 52   52  mp        -94.0   139.7  Favored  ?       11   78.300     8  0.34    11  0.51  molprobity  1.000  
 53   53  t        -133.9   140.4  Favored  ?        9   72.770     7  0.81    10  0.74  molprobity  1.000  
 54   54  t        -105.1   142.3  Favored  ?        5   79.860     6  0.31     8  0.41  molprobity  1.000  
 55   55  mt       -136.3   110.9  Favored  ?       11   78.540     8  0.48    11  0.59  molprobity  1.000  
 56   56  m80      -118.9   142.8  Favored  ?        7   90.000    11  0.19    15  0.42  molprobity  1.000  
 57   57  m-85     -105.3   124.6  Favored  ?        9   81.650    12  0.39    17  0.25  molprobity  1.000  
 58   58  Cg_endo   -60.8   170.3  Favored  ?        7   90.710     8  0.49    12  0.43  molprobity  1.000  
 59   59  Cg_endo   -69.1   -45.0  Favored  ?        7   95.210     8  0.24    11  0.26  molprobity  1.000  
 60   60  t0        -89.9    25.4  Favored  ?        4   91.580     8  0.69    11  1.01  molprobity  1.000  
 61   61  t80       -64.3   139.1  Favored  Y        9   76.830    13  0.63    19  0.58  molprobity  1.000  
 62   62  Cg_endo   -90.6    17.3  Favored  ?        7   72.110     8  0.27    11  0.64  molprobity  1.000  
 63   63  m-85      -89.3   -32.0  Favored  ?        9   70.690    12  0.57    16  0.38  molprobity  1.000  
 64   64  ?         -93.8   140.6  Favored  ?        4   77.710     6  0.32     9  0.51  molprobity  1.000  
 65   65  Cg_endo   -64.3   156.1  Favored  ?        7   75.120     8  0.74    12  0.44  molprobity  1.000  
 66   66  Cg_endo   -77.4   162.8  Favored  ?        7   74.480     8  0.35    11  0.75  molprobity  1.000  
 67   67  ?         -96.2   111.8  Favored  ?        2   71.980     5  0.34     7  0.57  molprobity  1.000  
 68   68  t        -123.3   122.2  Favored  ?        9   74.780     7  0.47    10  0.44  molprobity  1.000  
 69   69  ?        -141.3   135.4  Favored  ?        5   76.980     5  0.31     7  0.62  molprobity  1.000  
 70   70  m-85      -69.0   146.1  Favored  ?        9   74.870    12  0.41    16  0.31  molprobity  1.000  
 71   71  mtpt     -106.3   -24.3  Favored  ?       13   81.930     9  0.37    11  0.34  molprobity  1.000  
 72   72  m         -89.7   144.2  Favored  ?        7   78.540     7  0.43    10  0.49  molprobity  1.000  
 73   73  mtpp      -77.2   140.6  Favored  ?       13   82.840     9  0.47    11  0.68  molprobity  1.000  
 74   74  t        -139.6   134.4  Favored  ?        9   72.390     7  0.65    10  0.70  molprobity  1.000  
 75   75  t80       -78.4    97.2  Favored  ?        9   72.040    12  0.38    16  0.59  molprobity  1.000  
 76   76  t-80     -146.6   143.9  Favored  ?        7   72.110    11  0.45    16  0.40  molprobity  1.000  
 77   77  Cg_endo   -63.0   -20.6  Favored  ?        7   69.910     8  0.51    11  0.82  molprobity  1.000  
 78   78  m120     -118.3    12.0  Favored  ?        6   71.480     8  0.53    11  0.46  molprobity  1.000  
 79   79  mp       -129.3   118.0  Favored  ?       11   72.520     8  0.46    11  0.96  molprobity  1.000  
 80   80  p30       -89.7  -176.2  Favored  ?        6   77.520     8  0.27    11  0.45  molprobity  1.000  
 81   81  p         -67.3   -30.0  Favored  ?        5   85.390     6  0.32     8  0.58  molprobity  1.000  
 82   82  m-20      -77.8     2.6  Favored  ?        6   83.840     8  0.53    11  0.76  molprobity  1.000  
 83   83  ?          77.5    13.3  Favored  ?        3   83.660     4  0.28     5  0.63  molprobity  1.000  
 84   84  m         -73.2   144.8  Favored  ?        5   74.510     6  0.30     8  0.39  molprobity  1.000  
 85   85  mt       -118.1   127.3  Favored  ?       11   72.530     8  0.47    11  0.52  molprobity  1.000  
 86   86  t         -86.6    97.2  Favored  ?        5   74.650     6  1.20     8  1.01  molprobity  1.000  
 87   87  mt       -139.9   130.5  Favored  ?       11   72.430     8  0.27    11  1.14  molprobity  1.000  
 88   88  m-20      -63.2   -40.1  Favored  ?        4   84.070     8  0.77    11  0.82  molprobity  1.000  
 89   89  mt        -47.6   -37.4  Favored  ?       11   79.760     8  0.80    11  1.29  molprobity  1.000  
 90   90  mt        -83.9   -13.1  Favored  ?       11   73.840     8  0.36    11  0.91  molprobity  1.000  
 91   91  mtmt     -117.9   -63.5  Allowed  ?       13   82.770     9  0.44    11  0.46  molprobity  1.000  
 92   92  ?        -119.3   -35.6  Favored  ?        2   83.560     5  0.26     7  0.44  molprobity  1.000  
 93   93  mm-40     -88.9    19.6  Favored  ?        8   86.870     9  0.61    12  0.43  molprobity  1.000  
 94   94  t-105     -60.3   151.7  Favored  ?       10   70.980    16  0.38    23  0.46  molprobity  1.000  
 95   95  t        -137.9   150.8  Favored  ?        5   68.520     6  0.99     9  0.80  molprobity  1.000  
 96   96  Cg_exo    -61.4    -7.8  Favored  ?        7   68.220     8  0.69    11  0.78  molprobity  1.000  
 97   97  ?        -107.9   -14.3  Favored  ?        5   69.080     5  0.64     7  0.73  molprobity  1.000  
 98   98  mt        -76.1   171.6  Favored  ?       11   70.620     8  0.39    11  1.10  molprobity  1.000  
 99   99  p        -138.1   164.7  Favored  ?        7   70.440     7  0.25    10  0.78  molprobity  1.000  
100  100  t         -54.3   -44.7  Favored  ?        9   73.080     7  0.78    10  0.75  molprobity  1.000  
101  101  t         -51.0   -50.6  Favored  ?        5   70.970     6  1.10     8  0.47  molprobity  1.000  
102  102  mmtp      -58.6   -43.6  Favored  ?       13   74.060     9  0.43    11  0.63  molprobity  1.000  
103  103  t         -62.2   -45.1  Favored  ?        9   69.640     7  0.60    10  0.58  molprobity  1.000  
104  104  mt        -60.2   -44.8  Favored  ?       11   63.980     8  0.72    11  0.58  molprobity  1.000  
105  105  mt        -61.7   -40.8  Favored  ?       11   69.790     8  0.59    11  0.57  molprobity  1.000  
106  106  t         -66.5   -36.5  Favored  ?        5   67.830     6  0.85     8  0.58  molprobity  1.000  
107  107  mt        -64.5   -43.4  Favored  ?       11   60.380     8  0.60    11  0.55  molprobity  1.000  
108  108  m         -61.1   -40.6  Favored  ?        5   68.050     6  0.80     8  0.55  molprobity  1.000  
109  109  t         -60.1   -44.2  Favored  ?        5   71.370     6  0.96     8  0.61  molprobity  1.000  
110  110  tp        -59.4   -50.3  Favored  ?       11   69.460     8  0.47    11  0.53  molprobity  1.000  
111  111  mt        -55.4   -38.4  Favored  ?       11   67.380     8  0.45    11  0.68  molprobity  1.000  
112  112  m         -71.7   -47.3  Favored  ?        7   78.720     7  0.64    10  0.71  molprobity  1.000  
113  113  m-20     -126.5    87.3  Favored  ?        4   85.150     8  0.47    12  0.53  molprobity  1.000  
114  114  Cg_exo    -63.5   157.1  Favored  ?        7   77.080     8  0.44    11  0.58  molprobity  1.000  
115  115  m-20     -111.6    84.5  Favored  ?        6   84.770     8  0.46    12  0.44  molprobity  1.000  
116  116  Cg_endo   -69.0   -19.8  Favored  ?        7   88.890     8  0.34    11  0.37  molprobity  1.000  
117  117  m-20      -78.2   -12.8  Favored  ?        4  105.500     8  0.33    11  0.37  molprobity  1.000  
118  118  t0       -116.2    63.5  Favored  ?        4   99.700     8  0.47    12  0.66  molprobity  1.000  
119  119  Cg_endo   -71.5   146.8  Favored  ?        7   91.670     8  0.35    11  0.71  molprobity  1.000  
120  120  tp       -106.1   -23.7  Favored  ?       11   74.040     8  0.38    11  1.38  molprobity  1.000  
121  121  t        -126.3    91.0  Favored  ?        9   77.410     7  0.37    11  0.47  molprobity  1.000  
122  122  Cg_exo    -61.4   -35.2  Favored  ?        7   82.590     8  0.45    11  0.59  molprobity  1.000  
123  123  mp0       -60.3   -46.1  Favored  ?        6   85.470     9  0.63    12  0.68  molprobity  1.000  
124  124  mt        -63.9   -40.3  Favored  ?       11   76.890     8  0.39    11  0.93  molprobity  1.000  
125  125  ?         -59.7   -46.2  Favored  ?        5   76.540     5  0.30     7  0.38  molprobity  1.000  
126  126  t-80      -60.3   -43.6  Favored  ?        7   86.070    11  0.34    15  0.29  molprobity  1.000  
127  127  ttm       -61.5   -40.0  Favored  ?        9   75.380     8  0.30    10  0.33  molprobity  1.000  
128  128  t80       -60.1   -44.5  Favored  ?        9   83.660    13  0.35    18  0.55  molprobity  1.000  
129  129  mttt      -68.3   -49.3  Favored  ?       13   86.340     9  0.49    11  0.60  molprobity  1.000  
130  130  p         -95.4   -31.7  Favored  ?        7   86.660     7  0.33    10  0.78  molprobity  1.000  
131  131  t0       -136.0    82.4  Allowed  ?        4   90.010     8  0.32    11  0.55  molprobity  1.000  
132  132  tpp85     -66.2   -37.8  Favored  ?       13   88.230    11  0.40    14  1.06  molprobity  1.000  
133  133  ?         -64.3   -38.4  Favored  ?        5   86.250     5  0.32     7  0.35  molprobity  1.000  
134  134  tttt      -64.0   -41.9  Favored  ?       13   81.170     9  0.22    11  0.39  molprobity  1.000  
135  135  t80       -57.9   -50.6  Favored  ?        9   76.470    13  0.48    18  0.46  molprobity  1.000  
136  136  tp10      -59.9   -42.8  Favored  ?        6   92.500     9  0.91    12  0.22  molprobity  1.000  
137  137  t         -65.2   -49.1  Favored  ?        5   82.710     6  0.53     8  0.84  molprobity  1.000  
138  138  m         -62.6   -30.5  Favored  ?        7   77.090     7  0.58    10  0.46  molprobity  1.000  
139  139  ?         -71.1   -43.3  Favored  ?        5   75.650     5  0.25     7  0.30  molprobity  1.000  
140  140  mmt-85    -52.0   -45.6  Favored  ?       13   88.950    11  0.38    14  1.09  molprobity  1.000  
141  141  ?         -70.3   -37.2  Favored  ?        3   74.610     4  0.13     5  0.53  molprobity  1.000  
142  142  m95       -67.9   -39.5  Favored  ?       10   76.470    16  0.54    23  0.31  molprobity  1.000  
143  143  m         -59.7   -42.5  Favored  ?        7   75.390     7  0.24    10  0.87  molprobity  1.000  
144  144  mt-30     -64.1   -41.7  Favored  ?        8   83.370     9  0.35    12  0.54  molprobity  1.000  
145  145  mttt      -66.3   -60.9  Favored  ?       13   84.230     9  0.63    11  0.45  molprobity  1.000  
146  146  m-85      -98.5   -15.5  Favored  ?        9   82.380    13  0.47    18  0.59  molprobity  1.000  
147  147  ?        -106.5   -48.4  Favored  ?        5   83.020     5  0.39     7  0.29  molprobity  1.000  
148  148  mtt       -71.8   -21.3  Favored  ?        9   87.270     8  0.43    10  0.96  molprobity  1.000  
149  149  ?             ?       ?  ?        ?        3   90.560     3  0.47     2  1.04  molprobity  1.000  
150  150  mt            ?       ?  ?        ?       10   94.780     8  0.57    11  0.50  molprobity  1.000  
151  151  mt        -64.6   129.4  Favored  ?       11   81.630     8  0.55    12  0.64  molprobity  1.000  
152  152  Cg_exo    -56.7   141.6  Favored  ?        7   72.130     8  0.14    11  0.49  molprobity  1.000  
153  153  m-20      -70.6   -27.9  Favored  ?        4   79.820     8  0.38    11  0.49  molprobity  1.000  
154  154  mp0       -59.7   -33.0  Favored  ?        6   75.390     9  0.63    12  0.45  molprobity  1.000  
155  155  m-30      -79.1    -1.3  Favored  ?        9   64.530    12  0.50    16  0.47  molprobity  1.000  
156  156  mtp85    -105.0   152.3  Favored  ?       13   75.280    11  0.33    14  0.95  molprobity  1.000  
157  157  t         -85.3   131.2  Favored  ?        5   65.840     6  0.56     9  0.43  molprobity  1.000  
158  158  Cg_exo    -58.0   -27.4  Favored  ?        7   60.260     8  0.49    11  0.50  molprobity  1.000  
159  159  mt        -90.1   -55.8  Favored  ?       11   67.570     8  0.68    11  0.78  molprobity  1.000  
160  160  p         -73.8   -30.2  Favored  ?        5   69.150     6  0.30     8  0.77  molprobity  1.000  
161  161  mt         66.6    10.5  Favored  ?       11   67.940     8  0.33    11  0.72  molprobity  1.000  
162  162  mm-40    -103.9   170.5  Favored  ?        6   80.110     9  0.76    12  0.60  molprobity  1.000  
163  163  tp        -57.6   133.2  Favored  ?       11   65.480     8  0.37    11  0.99  molprobity  1.000  
164  164  mtm       -79.7   138.1  Favored  ?        9   62.520     8  0.23    10  0.52  molprobity  1.000  
165  165  ?         -93.5   -46.4  Favored  ?        4   72.880     6  0.49     8  0.94  molprobity  1.000  
166  166  t0       -124.6    81.9  Favored  ?        4   66.540     8  1.21    12  1.05  molprobity  1.000  
167  167  Cg_endo   -68.5   126.7  Favored  ?        7   57.020     8  0.39    11  0.37  molprobity  1.000  
168  168  m        -128.2   158.8  Favored  ?        9   55.840     7  0.68    10  0.83  molprobity  1.000  
169  169  tt       -117.0   139.9  Favored  ?       11   62.340     8  0.41    11  0.79  molprobity  1.000  
170  170  m         -99.7   170.1  Allowed  ?        9   63.180     7  0.33    10  0.68  molprobity  1.000  
171  171  p         -63.2   -27.5  Favored  ?        5   69.320     6  0.34     8  0.23  molprobity  1.000  
172  172  p         -57.4   -23.6  Favored  ?        5   62.560     6  0.32     8  0.68  molprobity  1.000  
173  173  ?          98.0     7.0  Favored  ?        3   61.580     4  0.39     5  0.54  molprobity  1.000  
174  174  mm-40     -97.0   149.3  Favored  ?        8   64.340     9  0.51    12  0.29  molprobity  1.000  
175  175  m        -108.6   141.4  Favored  ?        7   57.710     7  0.38    10  0.60  molprobity  1.000  
176  176  m-85     -143.8   157.3  Favored  ?        9   59.390    13  0.79    18  0.80  molprobity  1.000  
177  177  tp10      -60.9   131.7  Favored  ?        6   63.540     9  0.75    12  0.66  molprobity  1.000  
178  178  ttm-85    -59.2   -44.1  Favored  ?       13   60.180    11  0.44    14  1.23  molprobity  1.000  
179  179  p         -64.8   -42.6  Favored  ?        5   66.280     6  0.27     8  0.30  molprobity  1.000  
180  180  m         -64.4   -53.1  Favored  ?        5   68.530     6  0.36     8  0.87  molprobity  1.000  
181  181  tp        -63.8   -35.4  Favored  ?       11   63.290     8  0.36    11  0.41  molprobity  1.000  
182  182  tp60      -59.8   -50.6  Favored  ?        8   75.790     9  0.44    12  0.35  molprobity  1.000  
183  183  tttp      -50.9   -47.1  Favored  ?       13   74.430     9  0.42    11  0.97  molprobity  1.000  
184  184  t-105     -63.4   -46.9  Favored  ?       10   70.020    16  0.45    23  0.52  molprobity  1.000  
185  185  mt        -58.9   -42.7  Favored  ?       11   76.370     8  0.47    11  0.72  molprobity  1.000  
186  186  m-20      -57.0   -43.5  Favored  ?        4   88.710     8  0.61    11  0.98  molprobity  1.000  
187  187  m         -52.0   -17.4  Allowed  ?        5   89.570     6  0.43     8  0.78  molprobity  1.000  
188  188  ?         106.6    -3.2  Favored  ?        3   85.320     4  0.44     5  0.51  molprobity  1.000  
189  189  m80       -80.4   142.5  Favored  ?        7   80.630    11  0.35    15  0.32  molprobity  1.000  
190  190  ?        -119.8    30.7  Favored  ?        2   78.590     5  0.39     7  0.31  molprobity  1.000  
191  191  p        -119.9   147.0  Favored  ?        7   75.520     7  0.50    10  0.72  molprobity  1.000  
192  192  t         -68.1   119.8  Favored  ?        5   72.880     6  0.34     9  0.86  molprobity  1.000  
193  193  Cg_exo    -65.4   -33.0  Favored  ?        7   67.090     8  0.47    11  0.37  molprobity  1.000  
194  194  tttt      -77.5   -33.2  Favored  ?       13   73.390     9  0.55    11  0.63  molprobity  1.000  
195  195  p        -110.1    -7.7  Favored  ?        7   76.640     7  0.31    10  0.90  molprobity  1.000  
196  196  mt-30      60.3    19.6  Favored  ?        8   85.990     9  0.42    12  0.79  molprobity  1.000  
197  197  pt20      -98.8   156.6  Favored  ?        8   93.490     9  0.60    13  0.62  molprobity  1.000  
198  198  Cg_exo    -62.6   146.6  Favored  ?        7   90.000     8  0.24    11  0.53  molprobity  1.000  
199  199  mt        -98.2   132.2  Favored  ?       11   75.680     8  0.28    11  0.77  molprobity  1.000  
200  200  p         -63.1   -42.9  Favored  ?        5   86.230     6  0.48     8  0.58  molprobity  1.000  
201  201  p80      -139.7   154.1  Favored  ?        7   85.230    11  0.27    15  0.49  molprobity  1.000  
202  202  p        -100.8    34.3  Favored  ?        7   80.800     7  0.51    10  0.49  molprobity  1.000  
203  203  p        -101.7   140.9  Favored  ?        5   83.570     6  0.91     8  0.56  molprobity  1.000  
204  204  mp       -107.2   110.7  Favored  ?       11   69.870     8  0.45    11  0.64  molprobity  1.000  
205  205  m        -100.2   126.2  Favored  ?        7   67.640     7  0.48    11  0.66  molprobity  1.000  
206  206  Cg_exo    -58.5   148.3  Favored  ?        7   60.200     8  0.36    11  0.47  molprobity  1.000  
207  207  t-20     -107.1    78.5  Allowed  ?        6   58.240     8  0.84    11  0.67  molprobity  1.000  
208  208  m-85      -69.7   -29.0  Favored  ?        9   69.090    12  0.34    16  0.51  molprobity  1.000  
209  209  t         -66.6   -46.6  Favored  ?        9   60.920     7  0.71    10  0.56  molprobity  1.000  
210  210  tp        -66.6   -35.4  Favored  ?       11   58.680     8  0.44    11  0.72  molprobity  1.000  
211  211  tttt      -56.5   -50.3  Favored  ?       13   68.030     9  0.45    11  0.74  molprobity  1.000  
212  212  t         -58.1   -46.4  Favored  ?        5   61.430     6  0.99     8  0.55  molprobity  1.000  
213  213  mt        -66.4   -31.2  Favored  ?       11   57.950     8  0.48    11  0.60  molprobity  1.000  
214  214  mt        -70.7   -54.1  Favored  ?       11   58.580     8  0.60    11  0.58  molprobity  1.000  
215  215  m         -54.0   -35.6  Favored  ?        5   67.390     6  0.52     8  0.77  molprobity  1.000  
216  216  mt-30     -70.7   -47.7  Favored  ?        8   78.180     9  0.53    12  0.31  molprobity  1.000  
217  217  t90       -57.8   -39.7  Favored  ?       10   74.260    16  0.81    23  0.42  molprobity  1.000  
218  218  m         -60.9   -50.9  Favored  ?        5   75.870     6  0.33     8  0.48  molprobity  1.000  
219  219  ?         -60.0   -38.1  Favored  ?        4   83.030     6  0.51     8  0.33  molprobity  1.000  
220  220  ?         -60.4   -47.2  Favored  ?        5   77.920     5  0.21     7  0.17  molprobity  1.000  
221  221  m120      -98.3    23.9  Favored  ?        6   85.050     8  0.23    11  0.47  molprobity  1.000  
222  222  ?          50.2    34.1  Favored  ?        3   85.490     4  0.53     5  0.73  molprobity  1.000  
223  223  mt        -99.4   149.6  Favored  ?       11   80.880     8  0.36    11  0.63  molprobity  1.000  
224  224  tt0       -63.0   138.1  Favored  ?        6   87.950     9  0.31    12  0.46  molprobity  1.000  
225  225  mp        -56.2   143.6  Favored  ?       11   86.940     8  0.39    12  0.96  molprobity  1.000  
226  226  Cg_endo       ?       ?  ?        ?        7   84.020     7  0.41     8  0.39  molprobity  1.000  
227  227  ?             ?       ?  ?        ?        7   96.530     5  0.42     7  0.46  molprobity  1.000  
228  228  ?         -61.8   -41.3  Favored  ?        2   93.680     5  0.25     7  0.24  molprobity  1.000  
229  229  ?         -56.7   -41.6  Favored  ?        5   89.830     5  0.24     7  0.49  molprobity  1.000  
230  230  m         -65.2   -44.2  Favored  ?        5   95.540     6  0.41     8  0.36  molprobity  1.000  
231  231  ttmm      -58.5   -46.2  Favored  ?       13   92.920     9  0.47    11  0.58  molprobity  1.000  
232  232  tpt180    -66.1   -30.0  Favored  ?       13   75.580    11  0.48    14  1.67  molprobity  1.000  
233  233  mt        -73.3   -51.3  Favored  ?       11   87.540     8  0.30    11  0.52  molprobity  1.000  
234  234  tp        -56.2   -38.5  Favored  ?       11   91.210     8  0.38    11  0.55  molprobity  1.000  
235  235  ttmm      -77.9   -30.9  Favored  ?       13   87.440     9  0.47    11  0.42  molprobity  1.000  
236  236  tt0       -65.8   -34.8  Favored  ?        6   81.290     9  0.57    12  0.49  molprobity  1.000  
237  237  tp        -61.8   -43.8  Favored  ?       11   84.720     8  0.24    11  0.79  molprobity  1.000  
238  238  ?         -63.2   -40.6  Favored  ?        4   84.250     6  0.29     8  0.32  molprobity  1.000  
239  239  m-20      -58.8   -46.4  Favored  ?        4   86.860     8  0.40    11  0.66  molprobity  1.000  
240  240  mm?       -58.1   -43.2  Favored  ?       11   87.290     8  0.48    11  0.80  molprobity  1.000  
241  241  mt-30     -60.8   -31.8  Favored  ?        8   87.590     9  0.67    12  0.58  molprobity  1.000  
242  242  ttmt      -75.9   -51.0  Favored  ?       13   95.620     9  0.52    11  0.37  molprobity  1.000  
243  243  m-20     -127.1    83.7  Favored  ?        4   93.680     8  0.29    12  0.60  molprobity  1.000  
244  244  Cg_endo   -68.3   157.6  Favored  ?        7   80.910     8  0.48    12  0.38  molprobity  1.000  
245  245  Cg_endo   -72.5   168.6  Favored  ?        7   84.270     8  0.32    11  0.41  molprobity  1.000  
246  246  m         -66.0   -60.3  Favored  ?        7   90.470     7  0.30    10  0.80  molprobity  1.000  
247  247  m        -107.4    23.0  Favored  ?        5   87.820     6  0.92     8  0.58  molprobity  1.000  
248  248  m        -136.1   146.4  Favored  ?        5   76.780     6  0.51     8  0.61  molprobity  1.000  
249  249  t        -130.1   136.2  Favored  ?        5   77.070     6  0.91     8  0.67  molprobity  1.000  
250  250  ?        -148.0   156.5  Favored  ?        5   78.210     5  0.60     7  0.59  molprobity  1.000  
251  251  ?         174.2   170.1  Favored  ?        3   88.990     4  0.56     6  0.81  molprobity  1.000  
252  252  Cg_endo   -74.7   153.7  Favored  ?        7   99.840     8  0.39    11  0.81  molprobity  1.000  
253  253  t         -85.4   100.4  Favored  ?        9  108.020     7  0.71    10  0.59  molprobity  1.000  
254  254  ?          66.8  -127.2  Favored  ?        3  113.300     4  0.31     5  0.44  molprobity  1.000  
255  255  ?        -109.5   -12.2  Favored  ?        2  120.380     5  0.27     7  0.59  molprobity  1.000  
256  256  t0        -59.8   110.7  Allowed  ?        4  114.840     8  0.35    11  0.50  molprobity  1.000  
257  257  tpp       -91.1   -10.4  Favored  ?        9  118.250     8  0.47    10  0.91  molprobity  1.000  
258  258  m-85      -93.8     9.1  Favored  ?        9   99.450    12  0.51    16  0.38  molprobity  1.000  
259  259  t60      -130.8   126.6  Favored  ?        7  105.030    11  0.21    15  0.34  molprobity  1.000  
260  260  m0       -129.1   138.8  Favored  ?       10   92.880    16  0.34    23  0.44  molprobity  1.000  
261  261  pt20     -102.1   148.7  Favored  ?        8   99.740     9  0.32    12  0.40  molprobity  1.000  
262  262  ?        -145.0   148.6  Favored  ?        5   81.800     5  0.36     7  0.77  molprobity  1.000  
263  263  m        -116.4   130.6  Favored  ?        7   75.730     7  0.28    10  0.54  molprobity  1.000  
264  264  mt       -120.7   130.7  Favored  ?       11   74.370     8  0.29    11  0.60  molprobity  1.000  
265  265  mmt       -87.1   128.9  Favored  ?        9   79.450     8  0.77    10  0.95  molprobity  1.000  
266  266  ?         -59.4   129.6  Favored  ?        3   76.770     4  0.71     6  0.72  molprobity  1.000  
267  267  Cg_exo    -62.0   152.7  Favored  ?        7   78.640     8  0.21    11  0.50  molprobity  1.000  
268  268  ?         -61.0   -52.0  Favored  ?        5   86.480     5  0.38     7  0.45  molprobity  1.000  
269  269  ?         -63.6   -28.8  Favored  ?        2   95.210     5  0.31     7  0.34  molprobity  1.000  
270  270  p         -71.5   161.9  Favored  ?        5   91.030     6  0.44     9  0.55  molprobity  1.000  
271  271  Cg_endo   -74.1    17.5  Allowed  ?        7   90.300     8  0.32    11  0.39  molprobity  1.000  
272  272  m-85     -113.9     5.7  Favored  ?        9   89.950    13  0.43    18  0.41  molprobity  1.000  
273  273  ?         -55.4   143.1  Favored  ?        5   76.240     5  0.35     7  0.30  molprobity  1.000  
274  274  ?          71.9     2.3  Favored  ?        3   72.340     4  0.87     5  0.81  molprobity  1.000  
275  275  ?         -89.2   148.9  Favored  ?        3   70.250     4  0.35     5  0.45  molprobity  1.000  
276  276  t        -121.2   114.7  Favored  ?        9   73.670     7  1.07    10  0.81  molprobity  1.000  
277  277  m-85     -117.7   133.4  Favored  ?        9   79.380    12  0.64    16  0.44  molprobity  1.000  
278  278  mt       -100.9   154.3  Favored  ?       11   83.730     8  0.45    11  0.88  molprobity  1.000  
279  279  t        -153.1   127.9  Allowed  ?        9   85.260     7  0.33    10  0.53  molprobity  1.000  
280  280  p         -92.3   143.6  Favored  ?        5   83.270     6  0.16     8  0.49  molprobity  1.000  
281  281  mt       -129.5   118.5  Favored  ?       11   86.030     8  0.46    11  0.53  molprobity  1.000  
282  282  m80      -119.1   119.9  Favored  ?        7   95.580    11  0.60    15  0.40  molprobity  1.000  
283  283  m-85      -90.5   131.0  Favored  ?        9   92.200    12  0.63    17  0.35  molprobity  1.000  
284  284  Cg_exo    -64.0   164.6  Favored  ?        7   90.900     8  0.45    12  0.31  molprobity  1.000  
285  285  Cg_endo   -65.3   -32.6  Favored  ?        7   93.060     8  0.24    11  0.34  molprobity  1.000  
286  286  ?         -99.8    37.1  Allowed  ?        2   91.300     5  0.29     7  0.36  molprobity  1.000  
287  287  t80       -68.0   138.6  Favored  Y        9   79.820    13  0.39    19  0.44  molprobity  1.000  
288  288  Cg_endo   -95.9     9.8  Favored  ?        7   76.060     8  0.51    11  0.68  molprobity  1.000  
289  289  m-85      -77.2   -15.9  Favored  ?        9   74.170    12  0.55    16  0.49  molprobity  1.000  
290  290  ?        -116.5   132.2  Favored  ?        2   86.150     5  0.51     8  0.40  molprobity  1.000  
291  291  Cg_endo   -62.5   151.7  Favored  ?        7   85.210     8  0.40    12  0.30  molprobity  1.000  
292  292  Cg_endo   -75.0   159.5  Favored  ?        7   83.690     8  0.23    11  0.54  molprobity  1.000  
293  293  mttt      -91.6   119.6  Favored  ?       13   89.420     9  0.52    11  0.42  molprobity  1.000  
294  294  t        -135.8   127.8  Favored  ?        9   85.900     7  0.37    10  0.32  molprobity  1.000  
295  295  ?        -144.9   144.4  Favored  ?        5   89.020     5  0.33     7  1.10  molprobity  1.000  
296  296  m-85      -64.9   135.3  Favored  ?        9   86.860    12  0.37    16  0.35  molprobity  1.000  
297  297  ?        -107.1    11.6  Favored  ?        4   82.250     6  0.17     8  0.53  molprobity  1.000  
298  298  m        -129.2   134.9  Favored  ?        7   81.830     7  0.65    10  0.75  molprobity  1.000  
299  299  ?         -78.3   134.0  Favored  ?        2   83.100     5  0.19     7  0.38  molprobity  1.000  
300  300  t        -134.4   155.2  Favored  ?        9   86.040     7  0.49    10  0.73  molprobity  1.000  
301  301  t80      -109.2    87.2  Favored  ?        9   95.090    12  0.46    16  0.86  molprobity  1.000  
302  302  t-80     -138.1   139.3  Favored  ?        7   89.640    11  0.41    16  0.26  molprobity  1.000  
303  303  Cg_endo   -72.1    -3.2  Favored  ?        7   91.780     8  0.23    11  0.58  molprobity  1.000  
304  304  m120     -125.5    11.4  Favored  ?        6   90.720     8  0.35    11  0.23  molprobity  1.000  
305  305  mt       -126.9   140.6  Favored  ?       11   93.230     8  0.32    11  0.68  molprobity  1.000  
306  306  p-10     -110.0   168.5  Favored  ?        6  109.440     8  0.35    11  0.48  molprobity  1.000  
307  307  m         -71.7    -7.1  Favored  ?        5  112.390     6  0.31     8  0.62  molprobity  1.000  
308  308  t-20     -100.3     8.3  Favored  ?        6  119.250     8  0.37    11  0.37  molprobity  1.000  
309  309  ?          89.4    -3.1  Favored  ?        3  109.010     4  0.42     5  0.81  molprobity  1.000  
310  310  m         -68.3   129.0  Favored  ?        5  104.830     6  0.35     8  0.42  molprobity  1.000  
311  311  mt       -100.2   129.9  Favored  ?       11   92.090     8  0.47    11  0.56  molprobity  1.000  
312  312  t        -101.3    97.0  Favored  ?        5   93.900     6  0.30     8  1.04  molprobity  1.000  
313  313  tp       -143.8   134.8  Favored  ?       11   84.860     8  0.29    11  0.88  molprobity  1.000  
314  314  p30       -61.4   -36.8  Favored  ?        4   94.690     8  0.35    11  0.20  molprobity  1.000  
315  315  mm        -56.7   -29.4  Favored  ?       11   84.110     8  0.40    11  0.70  molprobity  1.000  
316  316  mt        -84.2   -11.7  Favored  ?       11   82.560     8  0.31    11  0.82  molprobity  1.000  
317  317  mttt     -120.2   -74.8  Allowed  ?       13   97.550     9  0.76    11  0.77  molprobity  1.000  
318  318  ?         -94.6   -38.8  Favored  ?        2   94.700     5  0.66     7  0.61  molprobity  1.000  
319  319  mm100    -103.4    24.1  Favored  ?        8   91.630     9  0.45    12  0.54  molprobity  1.000  
320  320  t-105     -64.4   153.6  Favored  ?       10   76.180    16  0.37    23  0.51  molprobity  1.000  
321  321  t        -147.8   146.0  Favored  ?        5   69.530     6  1.08     9  0.77  molprobity  1.000  
322  322  Cg_endo   -67.7    -0.5  Favored  ?        7   62.980     8  0.64    11  0.68  molprobity  1.000  
323  323  ?        -114.2    -1.6  Favored  ?        5   66.190     5  0.67     7  0.59  molprobity  1.000  
324  324  mt        -83.1   158.0  Favored  ?       11   66.280     8  0.52    11  0.89  molprobity  1.000  
325  325  p        -132.6   166.3  Favored  ?        7   69.240     7  0.28    10  0.62  molprobity  1.000  
326  326  t         -57.0   -43.3  Favored  ?        9   71.350     7  0.39    10  0.47  molprobity  1.000  
327  327  t         -49.6   -52.7  Favored  ?        5   71.970     6  0.73     8  0.77  molprobity  1.000  
328  328  mttm      -63.1   -31.1  Favored  ?       13   69.770     9  0.90    11  0.95  molprobity  1.000  
329  329  t         -69.5   -51.2  Favored  ?        9   66.630     7  0.72    10  0.45  molprobity  1.000  
330  330  mt        -51.2   -44.0  Favored  ?       11   70.080     8  0.30    11  0.85  molprobity  1.000  
331  331  tp        -60.8   -39.3  Favored  ?       11   75.780     8  0.41    11  0.73  molprobity  1.000  
332  332  m         -64.3   -43.2  Favored  ?        5   76.470     6  0.28     8  0.37  molprobity  1.000  
333  333  mt        -56.8   -33.6  Favored  ?       11   68.370     8  0.35    11  0.35  molprobity  1.000  
334  334  m         -70.1   -45.7  Favored  ?        5   75.480     6  0.63     8  0.38  molprobity  1.000  
335  335  t         -59.3   -29.2  Favored  ?        5   78.990     6  0.46     8  0.83  molprobity  1.000  
336  336  tp        -69.1   -55.2  Favored  ?       11   83.720     8  0.35    11  0.34  molprobity  1.000  
337  337  mt        -53.0   -35.8  Favored  ?       11   80.670     8  0.19    11  0.43  molprobity  1.000  
338  338  m         -77.1   -50.3  Favored  ?        7   87.520     7  0.26    10  0.58  molprobity  1.000  
339  339  m-20     -121.1    87.9  Favored  ?        4   94.320     8  0.40    12  0.59  molprobity  1.000  
340  340  Cg_exo    -74.9   161.5  Favored  ?        7   98.460     8  0.27    11  0.58  molprobity  1.000  
341  341  m-20     -103.0    94.0  Favored  ?        6  105.550     8  0.39    12  0.28  molprobity  1.000  
342  342  Cg_endo   -60.4   -36.2  Favored  ?        7  113.440     8  0.33    11  0.26  molprobity  1.000  
343  343  ?         -57.6   -30.2  Favored  ?        2  119.230     5  0.23     7  0.37  molprobity  1.000  
344  344  t0       -125.8    97.2  Favored  ?        4  120.290     8  0.60    12  1.02  molprobity  1.000  
345  345  Cg_endo   -83.3   170.3  Favored  ?        7  107.560     8  0.50    11  0.64  molprobity  1.000  
346  346  tp       -124.1   -18.8  Favored  ?       11  102.170     8  0.50    11  0.76  molprobity  1.000  
347  347  t        -124.0    97.5  Favored  ?        9  102.980     7  0.64    11  0.73  molprobity  1.000  
348  348  Cg_exo    -63.8   -28.6  Favored  ?        7  104.250     8  0.39    11  0.61  molprobity  1.000  
349  349  mp0       -53.0   -53.1  Favored  ?        6  104.130     9  0.48    12  0.70  molprobity  1.000  
350  350  mt        -68.5   -37.4  Favored  ?       11   96.990     8  0.22    11  0.32  molprobity  1.000  
351  351  ?         -65.2   -38.6  Favored  ?        5   99.740     5  0.28     7  0.28  molprobity  1.000  
352  352  ?         -60.2   -43.8  Favored  ?        2  106.260     5  0.20     7  0.25  molprobity  1.000  
353  353  ttm       -64.8   -40.7  Favored  ?        9  106.900     8  0.32    10  0.88  molprobity  1.000  
354  354  t80       -62.6   -31.3  Favored  ?        9  108.230    13  0.46    18  0.42  molprobity  1.000  
355  355  ?         -95.4   -23.0  Favored  ?        2  113.500     5  0.17     7  0.53  molprobity  1.000  
356  356  m         -92.1   -50.4  Favored  ?        7  120.320     7  0.38    10  0.45  molprobity  1.000  
357  357  t0       -139.0    90.6  Favored  ?        4  121.520     8  0.35    11  0.59  molprobity  1.000  
358  358  ?         -60.9   -39.9  Favored  ?        2  112.920     5  0.23     7  0.29  molprobity  1.000  
359  359  ?         -63.2   -31.6  Favored  ?        5  108.260     5  0.24     7  0.49  molprobity  1.000  
360  360  ?         -62.5   -38.0  Favored  ?        2  107.020     5  0.26     7  0.18  molprobity  1.000  
361  361  t80       -71.1   -58.1  Favored  ?        9  105.330    13  0.54    18  0.42  molprobity  1.000  
362  362  mt-10     -49.7   -45.7  Favored  ?        6  111.170     9  0.31    12  0.59  molprobity  1.000  
363  363  m         -64.3   -50.2  Favored  ?        5  100.260     6  0.33     8  0.67  molprobity  1.000  
364  364  m         -59.1   -36.1  Favored  ?        7   93.650     7  0.31    10  0.77  molprobity  1.000  
365  365  ?         -66.0   -50.4  Favored  ?        5   92.860     5  0.42     7  0.45  molprobity  1.000  
366  366  mtm105    -60.0   -28.7  Favored  ?       13   96.540    11  0.33    14  1.04  molprobity  1.000  
367  367  ?         -74.9   -41.3  Favored  ?        3   85.190     4  0.41     5  0.54  molprobity  1.000  
368  368  m0        -64.4   -37.8  Favored  ?       10   95.600    16  0.40    23  0.44  molprobity  1.000  
369  369  m         -57.1   -53.9  Favored  ?        7   83.900     7  0.36    10  0.53  molprobity  1.000  
370  370  tt0       -67.9   -34.8  Favored  ?        8   90.620     9  0.30    12  0.39  molprobity  1.000  
371  371  tptm      -64.2   -50.1  Favored  ?       13   92.500     9  0.53    11  0.61  molprobity  1.000  
372  372  m-85     -112.3   -22.1  Favored  ?        9   94.750    13  0.35    18  0.74  molprobity  1.000  
373  373  ?        -111.3   -17.0  Favored  ?        5   85.230     5  0.48     7  0.90  molprobity  1.000  
374  374  mtt       -95.2   127.0  Favored  ?        9   86.510     8  0.60    10  1.54  molprobity  1.000  
375  375  ?             ?       ?  ?        ?        3   94.460     3  0.61     2  1.36  molprobity  1.000  
376  376  ?             ?       ?  ?        ?        4  101.860     5  0.56     7  0.49  molprobity  1.000  
377  377  tpp       -87.8   -15.6  Favored  ?        9  119.830     8  0.35    10  0.30  molprobity  1.000  
378  378  mm       -105.3   102.2  Favored  ?       11  100.430     8  0.35    11  0.62  molprobity  1.000  
379  379  mt        -69.0   122.6  Favored  ?       11   84.400     8  0.50    12  0.69  molprobity  1.000  
380  380  Cg_exo    -48.0   135.2  Favored  ?        7   76.240     8  0.21    11  0.45  molprobity  1.000  
381  381  m-20      -60.8   -28.8  Favored  ?        4   82.650     8  0.25    11  0.38  molprobity  1.000  
382  382  mp0       -67.5   -18.1  Favored  ?        6   75.480     9  0.43    12  0.64  molprobity  1.000  
383  383  m-30      -90.9     0.4  Favored  ?        9   68.320    12  0.51    16  0.39  molprobity  1.000  
384  384  mtm180   -105.7   143.9  Favored  ?       13   77.080    11  0.68    14  0.97  molprobity  1.000  
385  385  t         -75.9   128.3  Favored  ?        5   62.140     6  0.58     9  0.48  molprobity  1.000  
386  386  Cg_exo    -54.6   -24.7  Favored  ?        7   56.960     8  0.64    11  0.53  molprobity  1.000  
387  387  mt        -94.3   -51.4  Favored  ?       11   62.690     8  0.33    11  0.79  molprobity  1.000  
388  388  p         -78.4   -15.4  Favored  ?        5   68.930     6  0.37     8  0.66  molprobity  1.000  
389  389  mt         52.9    23.5  Favored  ?       11   72.170     8  0.40    11  0.77  molprobity  1.000  
390  390  mm-40    -117.0   149.1  Favored  ?        6   85.940     9  0.84    12  0.40  molprobity  1.000  
391  391  tp        -54.8   128.1  Favored  ?       11   74.180     8  0.28    11  0.69  molprobity  1.000  
392  392  mtm       -83.5   136.2  Favored  ?        9   70.260     8  0.66    10  0.74  molprobity  1.000  
393  393  ?         -91.1   -40.7  Favored  ?        4   78.240     6  0.14     8  0.65  molprobity  1.000  
394  394  t0       -128.8    76.8  Favored  ?        4   70.010     8  0.74    12  0.68  molprobity  1.000  
395  395  Cg_endo   -68.1   129.9  Favored  ?        7   61.430     8  0.13    11  0.35  molprobity  1.000  
396  396  m        -129.9   160.9  Favored  ?        9   61.170     7  0.71    10  0.73  molprobity  1.000  
397  397  tt       -129.8   137.0  Favored  ?       11   64.230     8  0.42    11  0.60  molprobity  1.000  
398  398  m        -102.6   169.5  Allowed  ?        9   61.380     7  0.89    10  0.94  molprobity  1.000  
399  399  p         -60.5   -23.2  Favored  ?        5   74.920     6  0.41     8  0.33  molprobity  1.000  
400  400  p         -68.7   -16.4  Favored  ?        5   63.590     6  0.25     8  0.56  molprobity  1.000  
401  401  ?          96.8    -3.5  Favored  ?        3   62.600     4  0.71     5  0.65  molprobity  1.000  
402  402  mm-40     -82.7   158.0  Favored  ?        8   65.040     9  0.44    12  0.53  molprobity  1.000  
403  403  m        -122.6   137.0  Favored  ?        7   52.950     7  0.39    10  0.66  molprobity  1.000  
404  404  m-85     -141.4   160.5  Favored  ?        9   55.960    13  1.08    18  1.03  molprobity  1.000  
405  405  tp10      -58.9   140.9  Favored  ?        6   67.110     9  0.67    12  0.39  molprobity  1.000  
406  406  ttm-85    -59.5   -52.9  Favored  ?       13   68.840    11  0.39    14  0.96  molprobity  1.000  
407  407  p         -53.7   -47.3  Favored  ?        5   70.900     6  0.36     8  0.30  molprobity  1.000  
408  408  m         -63.1   -50.1  Favored  ?        5   72.420     6  0.49     8  0.57  molprobity  1.000  
409  409  tp        -66.3   -29.6  Favored  ?       11   61.030     8  0.34    11  0.58  molprobity  1.000  
410  410  tp60      -64.3   -48.3  Favored  ?        8   67.540     9  0.21    12  0.70  molprobity  1.000  
411  411  ttmt      -56.0   -33.2  Favored  ?       13   75.620     9  0.30    11  0.74  molprobity  1.000  
412  412  t-105     -73.2   -36.9  Favored  ?       10   64.050    16  0.46    23  0.43  molprobity  1.000  
413  413  mt        -75.2   -40.8  Favored  ?       11   72.230     8  0.27    11  0.37  molprobity  1.000  
414  414  m-20      -62.3   -23.5  Favored  ?        4   77.070     8  0.46    11  0.88  molprobity  1.000  
415  415  p         -80.4     8.1  Favored  ?        5   76.670     6  0.45     8  0.60  molprobity  1.000  
416  416  ?          84.7     8.7  Favored  ?        3   77.970     4  0.37     5  0.67  molprobity  1.000  
417  417  m80       -90.5   125.2  Favored  ?        7   74.310    11  0.47    15  0.28  molprobity  1.000  
418  418  ?        -113.2    43.2  Allowed  ?        2   80.550     5  0.31     7  0.63  molprobity  1.000  
419  419  p        -125.8   151.1  Favored  ?        7   79.600     7  0.30    10  0.57  molprobity  1.000  
420  420  t         -71.7   121.9  Favored  ?        5   69.810     6  0.45     9  0.39  molprobity  1.000  
421  421  Cg_exo    -57.0   -34.0  Favored  ?        7   66.400     8  0.32    11  0.33  molprobity  1.000  
422  422  tttt      -88.6   -45.8  Favored  ?       13   78.720     9  0.49    11  0.66  molprobity  1.000  
423  423  p         -92.3    -2.4  Favored  ?        7   78.950     7  0.44    10  0.80  molprobity  1.000  
424  424  ?          45.2    22.1  Allowed  ?        2   84.400     5  0.25     7  0.70  molprobity  1.000  
425  425  pt20      -93.0   150.3  Favored  ?        8   88.340     9  1.00    13  0.61  molprobity  1.000  
426  426  Cg_exo    -72.6   136.5  Favored  ?        7   92.850     8  0.23    11  0.44  molprobity  1.000  
427  427  mt        -72.9   122.7  Favored  ?       11   83.940     8  0.41    11  1.38  molprobity  1.000  
428  428  m         -74.4     4.8  Favored  ?        5  102.900     6  0.40     8  0.72  molprobity  1.000  
429  429  p80      -173.8  -172.9  Allowed  ?        7  101.210    11  0.36    15  1.03  molprobity  1.000  
430  430  p        -124.2    -6.5  Favored  ?        7   97.550     7  0.43    10  0.86  molprobity  1.000  
431  431  p         -57.9   134.6  Favored  ?        5   92.060     6  0.52     8  0.66  molprobity  1.000  
432  432  mt       -103.1   100.9  Favored  ?       11   74.630     8  0.31    11  0.81  molprobity  1.000  
433  433  p         -87.8   139.9  Favored  ?        7   70.610     7  0.41    11  0.88  molprobity  1.000  
434  434  Cg_exo    -69.7   139.3  Favored  ?        7   60.600     8  0.38    11  0.52  molprobity  1.000  
435  435  t-20      -92.7    81.6  Favored  ?        6   56.480     8  0.44    11  0.65  molprobity  1.000  
436  436  m-85      -65.9   -43.6  Favored  ?        9   59.350    12  0.64    16  0.61  molprobity  1.000  
437  437  p         -60.4   -34.9  Favored  ?        9   56.970     7  0.29    10  0.48  molprobity  1.000  
438  438  tp        -70.4   -42.8  Favored  ?       11   60.630     8  0.31    11  1.22  molprobity  1.000  
439  439  tptt      -57.7   -43.2  Favored  ?       13   70.820     9  0.49    11  0.32  molprobity  1.000  
440  440  t         -59.3   -50.5  Favored  ?        5   66.960     6  0.22     8  0.45  molprobity  1.000  
441  441  mt        -57.4   -33.8  Favored  ?       11   66.270     8  0.47    11  0.80  molprobity  1.000  
442  442  mt        -69.9   -36.1  Favored  ?       11   65.160     8  0.49    11  1.04  molprobity  1.000  
443  443  m         -68.1   -41.4  Favored  ?        5   71.000     6  0.34     8  0.90  molprobity  1.000  
444  444  mt-30     -66.6   -39.4  Favored  ?        8   75.920     9  0.62    12  0.53  molprobity  1.000  
445  445  t90       -63.5   -42.7  Favored  ?       10   72.350    16  0.54    23  0.36  molprobity  1.000  
446  446  m         -63.3   -50.4  Favored  ?        5   74.970     6  1.18     8  0.84  molprobity  1.000  
447  447  mt-10     -60.9   -36.6  Favored  ?        6   86.840     9  0.32    12  0.41  molprobity  1.000  
448  448  ?         -81.6   -14.0  Favored  ?        5   80.340     5  0.35     7  0.55  molprobity  1.000  
449  449  m-80     -108.8   -14.9  Favored  ?        6   80.460     8  0.30    11  0.60  molprobity  1.000  
450  450  ?         100.1     6.3  Favored  ?        3   78.880     4  0.85     5  0.88  molprobity  1.000  
451  451  mp        -83.9   140.4  Favored  ?       11   76.200     8  0.39    11  0.76  molprobity  1.000  
452  452  ?         -85.3   159.8  Favored  ?        2   88.940     5  0.24     7  0.66  molprobity  1.000  
453  453  tp       -114.8    86.0  Favored  ?       11  100.840     8  0.59    12  0.64  molprobity  1.000  
454  454  Cg_exo        ?       ?  ?        ?        7  114.430     7  0.48     8  0.69  molprobity  1.000  
455  455  ?             ?       ?  ?        ?        ?   80.300     ?     ?     ?     ?  ?           1.000  
456  456  ?             ?       ?  ?        ?        ?   97.030     ?     ?     ?     ?  ?           1.000  
457  457  ?             ?       ?  ?        ?        ?   75.690     ?     ?     ?     ?  ?           1.000  
458  458  ?             ?       ?  ?        ?        ?   81.070     ?     ?     ?     ?  ?           1.000  
459  459  ?             ?       ?  ?        ?        ?   87.870     ?     ?     ?     ?  ?           1.000  
460  460  ?             ?       ?  ?        ?        ?   56.320     ?     ?     ?     ?  ?           1.000  
461  461  ?             ?       ?  ?        ?        ?   84.820     ?     ?     ?     ?  ?           1.000  
462  462  ?             ?       ?  ?        ?        ?   70.330     ?     ?     ?     ?  ?           1.000  
463  463  ?             ?       ?  ?        ?        ?   92.090     ?     ?     ?     ?  ?           1.000  
464  464  ?             ?       ?  ?        ?        ?   90.310     ?     ?     ?     ?  ?           1.000  
465  465  ?             ?       ?  ?        ?        ?   73.550     ?     ?     ?     ?  ?           1.000  
466  466  ?             ?       ?  ?        ?        ?   93.220     ?     ?     ?     ?  ?           1.000  
467  467  ?             ?       ?  ?        ?        ?   98.800     ?     ?     ?     ?  ?           1.000  
468  468  ?             ?       ?  ?        ?        ?   96.270     ?     ?     ?     ?  ?           1.000  
469  469  ?             ?       ?  ?        ?        ?   89.870     ?     ?     ?     ?  ?           1.000  
470  470  ?             ?       ?  ?        ?        ?   72.380     ?     ?     ?     ?  ?           1.000  
471  471  ?             ?       ?  ?        ?        ?   71.290     ?     ?     ?     ?  ?           1.000  
472  472  ?             ?       ?  ?        ?        ?   80.190     ?     ?     ?     ?  ?           1.000  
473  473  ?             ?       ?  ?        ?        ?   81.680     ?     ?     ?     ?  ?           1.000  
474  474  ?             ?       ?  ?        ?        ?   88.540     ?     ?     ?     ?  ?           1.000  
475  475  ?             ?       ?  ?        ?        ?   65.510     ?     ?     ?     ?  ?           1.000  
476  476  ?             ?       ?  ?        ?        ?   84.150     ?     ?     ?     ?  ?           1.000  
477  477  ?             ?       ?  ?        ?        ?   80.730     ?     ?     ?     ?  ?           1.000  
478  478  ?             ?       ?  ?        ?        ?   92.010     ?     ?     ?     ?  ?           1.000  
479  479  ?             ?       ?  ?        ?        ?   73.350     ?     ?     ?     ?  ?           1.000  
480  480  ?             ?       ?  ?        ?        ?   84.700     ?     ?     ?     ?  ?           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    6  HD2    1  0.47  1.96  
  2    6  NH1    2  0.40  2.46  
  3    9  HE2    3  0.41  1.76  
  4    9  HB2    3  0.41  1.76  
  5   11  HB2    4  0.47  2.50  
  6   14  HD21   5  0.58  1.84  
  7   19  HG2    6  0.64  1.78  
  8   22  HB2    6  0.64  1.78  
  9   23  O      7  0.43  2.18  
 10   24  HB3    5  0.58  1.84  
 11   34  HB2    8  0.62  1.82  
 12   34  CZ2    4  0.47  2.50  
 13   35  OE1    9  0.50  2.45  
 14   36  HA     7  0.43  2.18  
 15   39  SD    10  0.47  2.54  
 16   41  HB2   11  0.41  2.20  
 17   44  HB3   12  0.56  1.69  
 18   44  OG    11  0.41  2.20  
 19   46  HD2   12  0.56  1.69  
 20   50  HG22  10  0.47  2.54  
 21   55  HB     8  0.62  1.82  
 22   58  HG2   13  0.60  1.82  
 23   61  HB2   13  0.60  1.82  
 24   61  CD1   14  0.49  2.47  
 25   62  HA    14  0.49  2.47  
 26   62  O     15  0.46  2.16  
 27   63  CE1   16  0.49  2.47  
 28   63  CD1   17  0.44  2.53  
 29   71  NZ     9  0.50  2.45  
 30   78  OD1   18  0.44  2.18  
 31   78  HB2   19  0.42  2.01  
 32   96  HD2   20  0.70  1.74  
 33   96  HB2   21  0.57  1.87  
 34   96  HA    15  0.46  2.16  
 35   99  OG1   22  0.44  2.17  
 36  102  HG2   22  0.44  2.17  
 37  110  HD11  18  0.44  2.18  
 38  110  HD21  19  0.42  2.01  
 39  136  O     23  0.55  2.06  
 40  140  HG2   23  0.55  2.06  
 41  150  N     24  0.67  2.26  
 42  159  HG12  21  0.57  1.87  
 43  159  O      2  0.40  2.46  
 44  161  HD12   1  0.47  1.96  
 45  163  HD23  25  0.52  1.90  
 46  183  HE3   16  0.49  2.47  
 47  183  HE3   17  0.44  2.53  
 48  193  HB3   20  0.70  1.74  
 49  217  CZ3   26  0.54  2.43  
 50  223  HD12  26  0.54  2.43  
 51  226  HB3   25  0.52  1.90  
 52  236  OE2   27  0.48  2.29  
 53  240  HD12  28  0.49  1.93  
 54  240  HD11  29  0.45  1.97  
 55  240  CD1   30  0.44  2.47  
 56  245  HG2   31  0.60  1.83  
 57  245  HD3   28  0.49  1.93  
 58  245  HD3   30  0.44  2.47  
 59  248  HB2   31  0.60  1.83  
 60  271  HB2   32  0.40  2.02  
 61  281  HG12  33  0.72  1.69  
 62  284  HD3   34  0.65  1.78  
 63  291  HB3   35  0.40  2.55  
 64  292  HA    34  0.65  1.78  
 65  294  HG22  33  0.72  1.69  
 66  302  CE1   36  0.42  2.55  
 67  302  NE2   37  0.42  2.34  
 68  304  ND2   38  0.42  2.53  
 69  313  HD21  39  0.72  1.72  
 70  314  OD1   40  0.41  2.54  
 71  315  N     40  0.41  2.54  
 72  320  CG    35  0.40  2.55  
 73  322  HB2   41  0.50  1.93  
 74  322  HG2   42  0.48  1.95  
 75  325  O     43  0.52  2.10  
 76  326  N     27  0.48  2.29  
 77  327  HB2   29  0.45  1.97  
 78  329  HG23  43  0.52  2.10  
 79  332  HB3   39  0.72  1.72  
 80  336  HG    36  0.42  2.55  
 81  340  HB3   37  0.42  2.34  
 82  344  O     38  0.42  2.53  
 83  360  O     44  0.42  2.30  
 84  362  O     45  0.41  2.21  
 85  364  OG1   44  0.42  2.30  
 86  365  HB3   32  0.40  2.02  
 87  366  HG3   45  0.41  2.21  
 88  385  HB3   46  0.41  2.20  
 89  387  HG12  41  0.50  1.93  
 90  388  OG    46  0.41  2.20  
 91  404  HH    47  0.43  1.61  
 92  420  HG    47  0.43  1.61  
 93  421  HB3   42  0.48  1.95  
 94  427  HD23  48  0.47  1.75  
 95  427  HA    48  0.47  1.75  
 96  438  HD12  49  0.41  1.83  
 97  438  HA    49  0.41  1.83  
 98  445  CZ3   50  0.41  2.56  
 99  451  HG22  51  0.54  2.08  
100  451  HD13  50  0.41  2.56  
101  452  O     51  0.54  2.08  
102  459  O     24  0.67  2.26  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.925  0.114  -0.562  
  2    2   8  0.924  0.108  -0.745  
  3    3   5  0.949  0.158   0.151  
  4    4   6  0.947  0.129  -0.334  
  5    5   9  0.954  0.137  -0.762  
  6    6  11  0.966  0.162  -0.284  
  7    7   8  0.976  0.180   0.236  
  8    8   6  0.963  0.125  -0.700  
  9    9   9  0.953  0.290   1.134  
 10   10   9  0.908  0.156  -0.406  
 11   11   8  0.962  0.232   1.046  
 12   12   7  0.947  0.165  -0.415  
 13   13   8  0.913  0.210   0.666  
 14   14   8  0.940  0.242   1.209  
 15   15   9  0.841  0.165  -0.150  
 16   16   9  0.900  0.247   0.601  
 17   17   8  0.847  0.158  -0.066  
 18   18   7  0.919  0.154   0.094  
 19   19   7  0.950  0.156   0.125  
 20   20   7  0.935  0.143  -0.146  
 21   21   6  0.893  0.151   0.008  
 22   22   6  0.943  0.108  -0.481  
 23   23   6  0.965  0.141  -0.148  
 24   24   5  0.989  0.154   0.086  
 25   25   4  0.976  0.139  -0.093  
 26   26   7  0.957  0.123  -0.391  
 27   27   7  0.903  0.278   1.978  
 28   28   4  0.825  0.229   1.231  
 29   29   5  0.848  0.292   1.283  
 30   30   8  0.885  0.223   0.849  
 31   31   8  0.887  0.309   2.539  
 32   32  11  0.875  0.218   1.002  
 33   33  10  0.914  0.133  -0.347  
 34   34  14  0.955  0.176   0.517  
 35   35   9  0.891  0.277   1.374  
 36   36   5  0.937  0.201   0.848  
 37   37   7  0.959  0.180   0.455  
 38   38   8  0.942  0.245   1.323  
 39   39   8  0.919  0.194   0.660  
 40   40   4  0.971  0.159   0.201  
 41   41   7  0.969  0.189   0.641  
 42   42   5  0.951  0.158   0.151  
 43   43   5  0.938  0.138  -0.348  
 44   44   6  0.917  0.141  -0.148  
 45   45   7  0.965  0.152   0.063  
 46   46  12  0.935  0.226   1.286  
 47   47   5  0.976  0.121  -0.449  
 48   48   4  0.900  0.215   1.025  
 49   49   4  0.944  0.136  -0.137  
 50   50   7  0.977  0.372   3.553  
 51   51  11  0.966  0.259   1.688  
 52   52   8  0.951  0.200   0.524  
 53   53   7  0.953  0.239   1.325  
 54   54   6  0.953  0.112  -0.598  
 55   55   8  0.965  0.168   0.035  
 56   56  10  0.911  0.179   0.344  
 57   57  11  0.937  0.189   0.516  
 58   58   7  0.938  0.160   0.188  
 59   59   7  0.913  0.121  -0.422  
 60   60   8  0.858  0.189   0.370  
 61   61  12  0.956  0.155   0.039  
 62   62   7  0.957  0.229   1.266  
 63   63  11  0.939  0.165   0.114  
 64   64   6  0.930  0.119  -0.985  
 65   65   7  0.946  0.167   0.297  
 66   66   7  0.943  0.227   1.234  
 67   67   5  0.955  0.146  -0.651  
 68   68   7  0.965  0.204   0.739  
 69   69   5  0.918  0.142  -0.109  
 70   70  11  0.949  0.261   1.722  
 71   71   9  0.933  0.265   0.824  
 72   72   7  0.959  0.238   1.396  
 73   73   9  0.942  0.296   1.208  
 74   74   7  0.934  0.296   2.280  
 75   75  11  0.949  0.180   0.365  
 76   76  10  0.957  0.172   0.239  
 77   77   7  0.966  0.194   0.719  
 78   78   8  0.965  0.149  -0.162  
 79   79   8  0.955  0.241   1.256  
 80   80   8  0.943  0.145  -0.220  
 81   81   6  0.951  0.110  -0.629  
 82   82   8  0.886  0.139  -0.308  
 83   83   4  0.832  0.199   0.790  
 84   84   6  0.983  0.155   0.070  
 85   85   8  0.934  0.267   1.691  
 86   86   6  0.940  0.148   0.311  
 87   87   8  0.955  0.229   0.997  
 88   88   8  0.903  0.153  -0.137  
 89   89   8  0.962  0.296   2.176  
 90   90   8  0.968  0.172   0.067  
 91   91   9  0.929  0.201   0.031  
 92   92   5  0.948  0.127  -0.766  
 93   93   9  0.918  0.179   0.041  
 94   94  14  0.919  0.199   0.948  
 95   95   6  0.954  0.181   0.474  
 96   96   7  0.975  0.206   0.906  
 97   97   5  0.975  0.124  -0.400  
 98   98   8  0.978  0.170   0.034  
 99   99   7  0.969  0.127  -0.406  
100  100   7  0.970  0.166   0.102  
101  101   6  0.962  0.188   0.582  
102  102   9  0.935  0.160  -0.477  
103  103   7  0.951  0.275   1.928  
104  104   8  0.953  0.188   0.328  
105  105   8  0.938  0.194   0.426  
106  106   6  0.951  0.142  -0.132  
107  107   8  0.981  0.290   2.075  
108  108   6  0.913  0.172   0.786  
109  109   6  0.949  0.128  -0.349  
110  110   8  0.971  0.202   0.556  
111  111   8  0.962  0.285   1.910  
112  112   7  0.974  0.124  -0.455  
113  113   8  0.922  0.110  -0.742  
114  114   7  0.970  0.100  -0.750  
115  115   8  0.930  0.098  -0.910  
116  116   7  0.985  0.138  -0.156  
117  117   8  0.931  0.133  -0.418  
118  118   8  0.865  0.215   0.737  
119  119   7  0.953  0.173   0.391  
120  120   8  0.972  0.141  -0.439  
121  121   7  0.970  0.163   0.052  
122  122   7  0.967  0.147  -0.016  
123  123   9  0.856  0.311   1.519  
124  124   8  0.965  0.187   0.353  
125  125   5  0.948  0.150   0.021  
126  126  10  0.913  0.117  -0.588  
127  127   8  0.944  0.174   0.333  
128  128  12  0.928  0.141  -0.207  
129  129   9  0.876  0.164  -0.428  
130  130   7  0.935  0.088  -1.039  
131  131   8  0.935  0.091  -1.010  
132  132  11  0.868  0.219   0.472  
133  133   5  0.966  0.128  -0.335  
134  134   9  0.957  0.180  -0.229  
135  135  12  0.884  0.180   0.478  
136  136   9  0.888  0.236   0.588  
137  137   6  0.956  0.077  -1.141  
138  138   7  0.958  0.177   0.406  
139  139   5  0.971  0.140  -0.141  
140  140  11  0.939  0.208   0.326  
141  141   4  0.963  0.107  -0.563  
142  142  14  0.959  0.194   0.854  
143  143   7  0.966  0.134  -0.292  
144  144   9  0.834  0.199   0.313  
145  145   9  0.873  0.185  -0.167  
146  146  12  0.943  0.190   0.654  
147  147   5  0.920  0.204   0.896  
148  148   8  0.872  0.295   2.310  
149  149   4  0.806  0.285   2.054  
150  150   8  0.904  0.212   0.771  
151  151   8  0.964  0.266   1.674  
152  152   7  0.969  0.229   1.266  
153  153   8  0.889  0.173   0.145  
154  154   9  0.939  0.245   0.699  
155  155  11  0.936  0.348   3.179  
156  156  11  0.939  0.225   0.552  
157  157   6  0.988  0.154   0.430  
158  158   7  0.974  0.128  -0.312  
159  159   8  0.967  0.236   1.172  
160  160   6  0.973  0.178   0.427  
161  161   8  0.970  0.187   0.312  
162  162   9  0.968  0.114  -0.928  
163  163   8  0.953  0.206   0.622  
164  164   8  0.955  0.201   0.775  
165  165   6  0.957  0.197   0.286  
166  166   8  0.905  0.197   0.483  
167  167   7  0.980  0.228   1.250  
168  168   7  0.979  0.255   1.593  
169  169   8  0.970  0.260   1.574  
170  170   7  0.990  0.190   0.504  
171  171   6  0.924  0.184   0.520  
172  172   6  0.968  0.165   0.225  
173  173   4  0.980  0.172   0.393  
174  174   9  0.945  0.198   0.299  
175  175   7  0.980  0.225   1.185  
176  176  12  0.961  0.172   0.337  
177  177   9  0.955  0.177  -0.145  
178  178  11  0.931  0.208   0.326  
179  179   6  0.965  0.169   0.287  
180  180   6  0.952  0.159   0.529  
181  181   8  0.968  0.261   1.590  
182  182   9  0.926  0.153  -0.313  
183  183   9  0.917  0.160  -0.477  
184  184  14  0.948  0.176   0.517  
185  185   8  0.960  0.243   1.225  
186  186   8  0.871  0.174   0.159  
187  187   6  0.911  0.172   0.334  
188  188   4  0.940  0.153   0.113  
189  189  10  0.924  0.134  -0.332  
190  190   5  0.925  0.147  -0.638  
191  191   7  0.975  0.124  -0.455  
192  192   6  0.942  0.153   0.410  
193  193   7  0.966  0.205   0.891  
194  194   9  0.935  0.168  -0.378  
195  195   7  0.936  0.175   0.373  
196  196   9  0.845  0.238   0.844  
197  197   9  0.887  0.179   0.041  
198  198   7  0.910  0.145  -0.047  
199  199   8  0.957  0.165  -0.047  
200  200   6  0.912  0.133  -0.272  
201  201  10  0.897  0.175   0.284  
202  202   7  0.928  0.200   0.779  
203  203   6  0.951  0.144  -0.101  
204  204   8  0.968  0.245   1.258  
205  205   7  0.923  0.208   0.909  
206  206   7  0.980  0.198   0.781  
207  207   8  0.938  0.197   0.543  
208  208  11  0.936  0.212   0.901  
209  209   7  0.963  0.267   1.794  
210  210   8  0.974  0.240   1.176  
211  211   9  0.971  0.208   0.118  
212  212   6  0.948  0.205   0.846  
213  213   8  0.962  0.281   1.845  
214  214   8  0.980  0.194   0.470  
215  215   6  0.923  0.163   0.194  
216  216   9  0.905  0.182   0.082  
217  217  14  0.967  0.157   0.161  
218  218   6  0.974  0.124  -0.164  
219  219   6  0.961  0.156  -0.406  
220  220   5  0.980  0.177   0.459  
221  221   8  0.944  0.110  -0.734  
222  222   4  0.950  0.139  -0.093  
223  223   8  0.930  0.186   0.336  
224  224   9  0.817  0.160  -0.357  
225  225   8  0.948  0.149  -0.308  
226  226   7  0.879  0.223   1.172  
227  227   5  0.811  0.150   0.021  
228  228   5  0.950  0.083  -1.154  
229  229   5  0.951  0.128  -0.335  
230  230   6  0.894  0.109  -0.644  
231  231   9  0.934  0.171  -0.341  
232  232  11  0.899  0.129  -0.721  
233  233   8  0.941  0.317   2.527  
234  234   8  0.932  0.268   1.633  
235  235   9  0.951  0.183  -0.192  
236  236   9  0.917  0.204   0.190  
237  237   8  0.984  0.226   0.948  
238  238   6  0.881  0.137  -0.762  
239  239   8  0.908  0.180   0.244  
240  240   8  0.909  0.308   2.285  
241  241   9  0.897  0.379   2.762  
242  242   9  0.919  0.228   0.366  
243  243   8  0.927  0.120  -0.601  
244  244   7  0.944  0.168   0.313  
245  245   7  0.946  0.178   0.469  
246  246   7  0.934  0.136  -0.260  
247  247   6  0.931  0.158   0.116  
248  248   6  0.900  0.173   0.806  
249  249   6  0.960  0.227   1.188  
250  250   5  0.943  0.327   2.890  
251  251   4  0.918  0.103  -0.622  
252  252   7  0.898  0.185   0.578  
253  253   7  0.933  0.374   3.586  
254  254   4  0.817  0.275   1.907  
255  255   5  0.894  0.333   1.793  
256  256   8  0.831  0.202   0.554  
257  257   8  0.890  0.312   2.588  
258  258  11  0.895  0.248   1.504  
259  259  10  0.863  0.304   2.224  
260  260  14  0.950  0.267   2.221  
261  261   9  0.870  0.424   3.374  
262  262   5  0.852  0.206   0.929  
263  263   7  0.940  0.222   1.136  
264  264   8  0.964  0.340   2.911  
265  265   8  0.940  0.236   1.346  
266  266   4  0.910  0.169   0.349  
267  267   7  0.951  0.143  -0.078  
268  268   5  0.917  0.193   0.718  
269  269   5  0.962  0.107  -0.785  
270  270   6  0.967  0.137  -0.210  
271  271   7  0.938  0.149   0.016  
272  272  12  0.953  0.148  -0.084  
273  273   5  0.948  0.138  -0.173  
274  274   4  0.849  0.153   0.113  
275  275   4  0.945  0.137  -0.122  
276  276   7  0.950  0.161   0.018  
277  277  11  0.936  0.199   0.683  
278  278   8  0.941  0.237   1.127  
279  279   7  0.973  0.236   1.275  
280  280   6  0.951  0.122  -0.443  
281  281   8  0.914  0.271   1.758  
282  282  10  0.852  0.109  -0.708  
283  283  11  0.935  0.306   2.476  
284  284   7  0.915  0.134  -0.219  
285  285   7  0.828  0.138  -0.156  
286  286   5  0.938  0.107  -0.785  
287  287  12  0.930  0.175   0.390  
288  288   7  0.926  0.172   0.375  
289  289  11  0.939  0.126  -0.539  
290  290   5  0.949  0.128  -0.874  
291  291   7  0.945  0.183   0.547  
292  292   7  0.928  0.214   1.031  
293  293   9  0.882  0.110  -1.097  
294  294   7  0.919  0.323   2.732  
295  295   5  0.930  0.136  -0.206  
296  296  11  0.944  0.214   0.935  
297  297   6  0.938  0.143  -0.688  
298  298   7  0.967  0.127  -0.406  
299  299   5  0.898  0.154  -0.551  
300  300   7  0.938  0.213   0.889  
301  301  11  0.922  0.192   0.566  
302  302  10  0.897  0.147  -0.137  
303  303   7  0.849  0.178   0.469  
304  304   8  0.851  0.150  -0.147  
305  305   8  0.931  0.179   0.219  
306  306   8  0.947  0.109  -0.749  
307  307   6  0.962  0.159   0.132  
308  308   8  0.873  0.138  -0.323  
309  309   4  0.833  0.242   1.422  
310  310   6  0.723  0.187   0.567  
311  311   8  0.944  0.248   1.373  
312  312   6  0.892  0.261   2.549  
313  313   8  0.908  0.168   0.002  
314  314   8  0.903  0.229   0.934  
315  315   8  0.956  0.177   0.186  
316  316   8  0.949  0.324   2.546  
317  317   9  0.879  0.245   0.576  
318  318   5  0.856  0.142  -0.580  
319  319   9  0.878  0.222   0.626  
320  320  14  0.886  0.184   0.667  
321  321   6  0.931  0.176   0.396  
322  322   7  0.962  0.184   0.562  
323  323   5  0.953  0.128  -0.335  
324  324   8  0.967  0.199   0.507  
325  325   7  0.962  0.118  -0.552  
326  326   7  0.971  0.252   1.543  
327  327   6  0.860  0.158   0.116  
328  328   9  0.926  0.164  -0.428  
329  329   7  0.967  0.164   0.069  
330  330   8  0.945  0.318   2.449  
331  331   8  0.935  0.229   0.997  
332  332   6  0.975  0.150  -0.008  
333  333   8  0.967  0.181   0.253  
334  334   6  0.883  0.128  -0.085  
335  335   6  0.950  0.114  -0.567  
336  336   8  0.903  0.138  -0.488  
337  337   8  0.969  0.265   1.584  
338  338   7  0.875  0.144  -0.130  
339  339   8  0.856  0.125  -0.531  
340  340   7  0.907  0.131  -0.266  
341  341   8  0.664  0.151  -0.132  
342  342   7  0.771  0.277   2.016  
343  343   5  0.845  0.195   0.455  
344  344   8  0.811  0.202   0.554  
345  345   7  0.930  0.145  -0.047  
346  346   8  0.889  0.182   0.230  
347  347   7  0.881  0.250   1.509  
348  348   7  0.936  0.196   0.750  
349  349   9  0.866  0.250   0.761  
350  350   8  0.928  0.282   1.941  
351  351   5  0.922  0.134  -0.238  
352  352   5  0.897  0.106  -0.753  
353  353   8  0.846  0.125  -0.467  
354  354  12  0.851  0.182   0.513  
355  355   5  0.899  0.218   0.242  
356  356   7  0.840  0.273   1.964  
357  357   8  0.676  0.205   0.596  
358  358   5  0.870  0.142  -0.549  
359  359   5  0.933  0.138  -0.173  
360  360   5  0.890  0.123  -0.936  
361  361  12  0.889  0.158   0.091  
362  362   9  0.895  0.164  -0.307  
363  363   6  0.887  0.151   0.008  
364  364   7  0.923  0.109  -0.698  
365  365   5  0.973  0.085  -1.032  
366  366  11  0.876  0.165  -0.244  
367  367   4  0.947  0.145  -0.004  
368  368  14  0.915  0.148  -0.007  
369  369   7  0.896  0.149  -0.049  
370  370   9  0.883  0.213   0.503  
371  371   9  0.906  0.150  -0.601  
372  372  12  0.863  0.139  -0.243  
373  373   5  0.954  0.158   0.151  
374  374   8  0.893  0.181   0.448  
375  375   4  0.708  0.318   2.540  
376  376   5  0.854  0.363   3.473  
377  377   8  0.587  0.285   2.147  
378  378   8  0.876  0.344   2.978  
379  379   8  0.924  0.263   1.624  
380  380   7  0.971  0.174   0.406  
381  381   8  0.894  0.175   0.173  
382  382   9  0.956  0.190   0.016  
383  383  11  0.951  0.198   0.667  
384  384  11  0.928  0.158  -0.337  
385  385   6  0.938  0.146   0.271  
386  386   7  0.972  0.138  -0.156  
387  387   8  0.935  0.177   0.186  
388  388   6  0.943  0.138  -0.194  
389  389   8  0.977  0.181   0.214  
390  390   9  0.892  0.206   0.215  
391  391   8  0.949  0.250   1.339  
392  392   8  0.946  0.165   0.186  
393  393   6  0.931  0.108  -0.925  
394  394   8  0.960  0.140  -0.320  
395  395   7  0.966  0.146  -0.031  
396  396   7  0.962  0.238   1.308  
397  397   8  0.897  0.219   0.888  
398  398   7  0.955  0.250   1.509  
399  399   6  0.941  0.125  -0.396  
400  400   6  0.974  0.141  -0.148  
401  401   4  0.965  0.131  -0.210  
402  402   9  0.949  0.159  -0.231  
403  403   7  0.952  0.187   0.568  
404  404  12  0.944  0.172   0.337  
405  405   9  0.951  0.137  -0.642  
406  406  11  0.942  0.129  -0.721  
407  407   6  0.901  0.149  -0.023  
408  408   6  0.914  0.160   0.549  
409  409   8  0.978  0.211   0.754  
410  410   9  0.966  0.171  -0.068  
411  411   9  0.911  0.199   0.006  
412  412  14  0.933  0.177   0.536  
413  413   8  0.944  0.237   1.127  
414  414   8  0.871  0.183   0.286  
415  415   6  0.927  0.139  -0.179  
416  416   4  0.925  0.137  -0.122  
417  417  10  0.912  0.180   0.359  
418  418   5  0.953  0.183  -0.192  
419  419   7  0.944  0.161   0.146  
420  420   6  0.961  0.099  -0.659  
421  421   7  0.949  0.159   0.172  
422  422   9  0.941  0.138  -0.750  
423  423   7  0.945  0.150  -0.032  
424  424   5  0.927  0.136  -0.544  
425  425   9  0.850  0.188   0.163  
426  426   7  0.869  0.314   2.594  
427  427   8  0.856  0.269   1.649  
428  428   6  0.897  0.322   2.663  
429  429  10  0.828  0.270   1.713  
430  430   7  0.844  0.243   1.477  
431  431   6  0.910  0.073  -1.203  
432  432   8  0.957  0.222   0.883  
433  433   7  0.935  0.178   0.422  
434  434   7  0.969  0.174   0.406  
435  435   8  0.979  0.156  -0.059  
436  436  11  0.962  0.151  -0.121  
437  437   7  0.976  0.172   0.203  
438  438   8  0.983  0.217   0.801  
439  439   9  0.942  0.172  -0.328  
440  440   6  0.958  0.144  -0.101  
441  441   8  0.958  0.248   1.307  
442  442   8  0.936  0.184   0.303  
443  443   6  0.936  0.142  -0.132  
444  444   9  0.933  0.205   0.395  
445  445  14  0.954  0.160   0.217  
446  446   6  0.929  0.161   0.568  
447  447   9  0.912  0.210   0.265  
448  448   5  0.949  0.108  -0.660  
449  449   8  0.954  0.198   0.558  
450  450   4  0.944  0.171   0.378  
451  451   8  0.968  0.180   0.236  
452  452   5  0.889  0.148  -0.506  
453  453   8  0.876  0.259   1.486  
454  454   7  0.755  0.264   1.813  
455  455   1  0.704  0.446       ?  
456  456   1  0.829  0.511       ?  
457  457   1  0.804  0.374       ?  
458  458   1  0.868  0.292       ?  
459  459   1  0.776  0.236       ?  
460  460   1  0.741  0.195       ?  
461  461   1  0.783  0.591       ?  
462  462   1  0.825  0.244       ?  
463  463   1  0.782  0.401       ?  
464  464   1  0.703  0.671       ?  
465  465   1  0.829  0.393       ?  
466  466   1  0.781  0.502       ?  
467  467   1  0.928  0.484       ?  
468  468   1  0.422  0.488       ?  
469  469   1  0.668  0.262       ?  
470  470   1  0.819  0.475       ?  
471  471   1  0.898  0.317       ?  
472  472   1  0.651  0.379       ?  
473  473   1  0.821  0.420       ?  
474  474   1  0.835  0.150       ?  
475  475   1  0.954  0.484       ?  
476  476   1  0.867  0.295       ?  
477  477   1  0.883  0.199       ?  
478  478   1  0.829  0.504       ?  
479  479   1  0.724  0.414       ?  
480  480   1  0.886  0.332       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.35.1                                                                Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
