data_4ETK

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4ETK
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4ETK
_pdbx_vrpt_summary.PDB_deposition_date         2012-04-24
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-09-13
_pdbx_vrpt_summary.report_creation_date        2023-09-05:22:18
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,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      "De novo designed serine hydrolase"  
2  non-polymer  "SODIUM ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  3  
E  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.7  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   8.35  141614     ?     ?  
 2  2  1  21.11    3122  2.70  2.70  
 3  1  2  24.89  138981     ?     ?  
 4  2  2  49.76    3069  2.70  2.70  
 5  1  3  33.74  138945     ?     ?  
 6  2  3  62.98    3069  2.70  2.70  
 7  1  4  58.51  127900     ?     ?  
 8  2  4  60.25    2737  2.70  2.70  
 9  1  5  27.11  130704     ?     ?  
10  2  5  55.80    2808  2.70  2.70  
#
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   62.50  
 4  6  3  A  1  1  A   84.75  
 5  7  4  A  1  1  A   78.63  
 6  8  4  A  1  1  A   80.31  
 7  3  2  B  1  1  B   12.81  
 8  4  2  B  1  1  B   31.80  
 9  5  3  B  1  1  B   19.79  
10  6  3  B  1  1  B   43.47  
11  7  4  B  1  1  B   41.23  
12  8  4  B  1  1  B   40.85  
#
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  0.61  0.34  1253  1692  
2  1  1  B  B  0.63  0.35  1241  1677  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.61
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       3.70
_pdbx_vrpt_summary_geometry.clashscore                     20.76
_pdbx_vrpt_summary_geometry.num_H_reduce                   2501
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2494
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.34
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3369
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.62
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 126.844
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            46.079
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         19.700
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.80(2.72A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        15259
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.369
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.349
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.475
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.305
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.903
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.71
_pdbx_vrpt_summary_diffraction.EDS_res_low               29.94
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[42.127,14.167,16.484,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           1.153
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.16% 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         91.53
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      758
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.97
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.43
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.70
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        38.71
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_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    2  .  ?        ?  
  2  1  1  A    3  ARG  A    3  .  ?        ?  
  3  1  1  A    4  ILE  A    4  .  ?        ?  
  4  1  1  A    5  ARG  A    5  .  ?        1  
  5  1  1  A    6  ALA  A    6  .  ?        ?  
  6  1  1  A    7  VAL  A    7  .  ?        ?  
  7  1  1  A    8  GLN  A    8  .  ?        ?  
  8  1  1  A    9  GLY  A    9  .  ?        ?  
  9  1  1  A   10  ASP  A   10  .  ?        2  
 10  1  1  A   11  ILE  A   11  .  ?        ?  
 11  1  1  A   12  THR  A   12  .  ?        4  
 12  1  1  A   13  GLU  A   13  .  ?        ?  
 13  1  1  A   14  PHE  A   14  .  ?        1  
 14  1  1  A   15  GLN  A   15  .  ?        ?  
 15  1  1  A   16  GLY  A   16  .  ?        1  
 16  1  1  A   17  ASP  A   17  .  ?        1  
 17  1  1  A   18  ALA  A   18  .  ?        ?  
 18  1  1  A   19  ILE  A   19  .  ?        ?  
 19  1  1  A   20  VAL  A   20  .  ?        ?  
 20  1  1  A   21  ASN  A   21  .  ?        ?  
 21  1  1  A   22  ALA  A   22  .  ?        ?  
 22  1  1  A   23  ALA  A   23  .  ?        ?  
 23  1  1  A   24  ASN  A   24  .  ?        1  
 24  1  1  A   25  ASN  A   25  .  ?        1  
 25  1  1  A   26  TYR  A   26  .  ?        ?  
 26  1  1  A   27  LEU  A   27  .  ?        ?  
 27  1  1  A   28  LYS  A   28  .  ?        ?  
 28  1  1  A   29  LEU  A   29  .  ?        3  
 29  1  1  A   30  GLY  A   30  .  ?        ?  
 30  1  1  A   31  ALA  A   31  .  ?        ?  
 31  1  1  A   32  GLY  A   32  .  ?        ?  
 32  1  1  A   33  VAL  A   33  .  ?        1  
 33  1  1  A   34  ALA  A   34  .  ?        ?  
 34  1  1  A   35  GLY  A   35  .  ?        ?  
 35  1  1  A   36  ALA  A   36  .  ?        1  
 36  1  1  A   37  ILE  A   37  .  ?        ?  
 37  1  1  A   38  LEU  A   38  .  ?        ?  
 38  1  1  A   39  ARG  A   39  .  ?        ?  
 39  1  1  A   40  LYS  A   40  .  ?        3  
 40  1  1  A   41  GLY  A   41  .  ?        ?  
 41  1  1  A   42  GLY  A   42  .  ?        ?  
 42  1  1  A   43  PRO  A   43  .  ?        ?  
 43  1  1  A   44  SER  A   44  .  ?        ?  
 44  1  1  A   45  ILE  A   45  .  ?        2  
 45  1  1  A   46  GLN  A   46  .  ?        1  
 46  1  1  A   47  GLU  A   47  .  ?        ?  
 47  1  1  A   48  GLU  A   48  .  ?        ?  
 48  1  1  A   49  CYS  A   49  .  ?        ?  
 49  1  1  A   50  ASP  A   50  .  ?        ?  
 50  1  1  A   51  ARG  A   51  .  ?        2  
 51  1  1  A   52  ILE  A   52  .  ?        ?  
 52  1  1  A   53  GLY  A   53  .  ?        ?  
 53  1  1  A   54  LYS  A   54  .  ?        ?  
 54  1  1  A   55  ILE  A   55  .  ?        1  
 55  1  1  A   56  ARG  A   56  .  ?        ?  
 56  1  1  A   57  VAL  A   57  .  ?        ?  
 57  1  1  A   58  GLY  A   58  .  ?        ?  
 58  1  1  A   59  GLU  A   59  .  ?        ?  
 59  1  1  A   60  ALA  A   60  .  ?        ?  
 60  1  1  A   61  ALA  A   61  .  ?        ?  
 61  1  1  A   62  VAL  A   62  .  ?        1  
 62  1  1  A   63  THR  A   63  .  ?        3  
 63  1  1  A   64  GLY  A   64  .  ?        1  
 64  1  1  A   65  ALA  A   65  .  ?        2  
 65  1  1  A   66  GLY  A   66  .  ?        ?  
 66  1  1  A   67  ASN  A   67  .  ?        ?  
 67  1  1  A   68  LEU  A   68  .  ?        1  
 68  1  1  A   69  PRO  A   69  .  ?        3  
 69  1  1  A   70  VAL  A   70  .  ?        2  
 70  1  1  A   71  ARG  A   71  .  ?        ?  
 71  1  1  A   72  TYR  A   72  .  ?        ?  
 72  1  1  A   73  VAL  A   73  .  ?        1  
 73  1  1  A   74  ILE  A   74  .  ?        ?  
 74  1  1  A   75  HIS  A   75  .  ?        ?  
 75  1  1  A   76  ALA  A   76  .  ?        1  
 76  1  1  A   77  ALA  A   77  .  ?        ?  
 77  1  1  A   78  VAL  A   78  .  ?        ?  
 78  1  1  A   79  LEU  A   79  .  ?        4  
 79  1  1  A   80  GLY  A   80  .  ?        ?  
 80  1  1  A   81  ASP  A   81  .  ?        ?  
 81  1  1  A   82  GLU  A   82  .  ?        ?  
 82  1  1  A   83  PRO  A   83  .  ?        ?  
 83  1  1  A   84  ALA  A   84  .  ?        2  
 84  1  1  A   85  SER  A   85  .  ?        2  
 85  1  1  A   86  LEU  A   86  .  ?        1  
 86  1  1  A   87  GLU  A   87  .  ?        ?  
 87  1  1  A   88  THR  A   88  .  ?        1  
 88  1  1  A   89  VAL  A   89  .  ?        ?  
 89  1  1  A   90  ARG  A   90  .  ?        ?  
 90  1  1  A   91  LYS  A   91  .  ?        ?  
 91  1  1  A   92  ALA  A   92  .  ?        1  
 92  1  1  A   93  THR  A   93  .  ?        ?  
 93  1  1  A   94  LYS  A   94  .  ?        ?  
 94  1  1  A   95  SER  A   95  .  ?        ?  
 95  1  1  A   96  ALA  A   96  .  ?        ?  
 96  1  1  A   97  LEU  A   97  .  ?        1  
 97  1  1  A   98  GLU  A   98  .  ?        ?  
 98  1  1  A   99  LYS  A   99  .  ?        ?  
 99  1  1  A  100  ALA  A  100  .  ?        ?  
100  1  1  A  101  VAL  A  101  .  ?        1  
101  1  1  A  102  GLU  A  102  .  ?        ?  
102  1  1  A  103  LEU  A  103  .  ?        1  
103  1  1  A  104  GLY  A  104  .  ?        ?  
104  1  1  A  105  LEU  A  105  .  ?        1  
105  1  1  A  106  LYS  A  106  .  ?        2  
106  1  1  A  107  THR  A  107  .  ?        ?  
107  1  1  A  108  VAL  A  108  .  ?        1  
108  1  1  A  109  ALA  A  109  .  ?        ?  
109  1  1  A  110  PHE  A  110  .  ?        ?  
110  1  1  A  111  THR  A  111  .  ?        ?  
111  1  1  A  112  ALA  A  112  .  ?        ?  
112  1  1  A  113  LEU  A  113  .  ?        6  
113  1  1  A  114  GLY  A  114  .  ?        ?  
114  1  1  A  115  ALA  A  115  .  ?        ?  
115  1  1  A  116  TRP  A  116  .  ?        ?  
116  1  1  A  117  VAL  A  117  .  ?        1  
117  1  1  A  118  GLY  A  118  .  ?        ?  
118  1  1  A  119  GLY  A  119  .  ?        ?  
119  1  1  A  120  LEU  A  120  .  ?        3  
120  1  1  A  121  PRO  A  121  .  ?        1  
121  1  1  A  122  ALA  A  122  .  ?        1  
122  1  1  A  123  GLU  A  123  .  ?        1  
123  1  1  A  124  ALA  A  124  .  ?        1  
124  1  1  A  125  VAL  A  125  .  ?        1  
125  1  1  A  126  LEU  A  126  .  ?        ?  
126  1  1  A  127  ARG  A  127  .  ?        1  
127  1  1  A  128  VAL  A  128  .  ?        ?  
128  1  1  A  129  MSE  A  129  .  ?        2  
129  1  1  A  130  ASP  A  130  .  ?        ?  
130  1  1  A  131  GLU  A  131  .  ?        ?  
131  1  1  A  132  GLU  A  132  .  ?        ?  
132  1  1  A  133  ILE  A  133  .  ?        3  
133  1  1  A  134  LYS  A  134  .  ?        ?  
134  1  1  A  135  LYS  A  135  .  ?        ?  
135  1  1  A  136  ALA  A  136  .  ?        ?  
136  1  1  A  137  PRO  A  137  .  ?        ?  
137  1  1  A  138  ASP  A  138  .  ?        ?  
138  1  1  A  139  THR  A  139  .  ?        ?  
139  1  1  A  140  LEU  A  140  .  ?        ?  
140  1  1  A  141  GLU  A  141  .  ?        1  
141  1  1  A  142  VAL  A  142  .  ?        3  
142  1  1  A  143  THR  A  143  .  ?        ?  
143  1  1  A  144  GLY  A  144  .  ?        ?  
144  1  1  A  145  VAL  A  145  .  ?        ?  
145  1  1  A  146  HIS  A  146  .  ?        1  
146  1  1  A  147  GLY  A  147  .  ?        ?  
147  1  1  A  148  THR  A  148  .  ?        3  
148  1  1  A  149  GLU  A  149  .  ?        ?  
149  1  1  A  150  LYS  A  150  .  ?        3  
150  1  1  A  151  SER  A  151  .  ?        ?  
151  1  1  A  152  ALA  A  152  .  ?        1  
152  1  1  A  153  GLU  A  153  .  ?        ?  
153  1  1  A  154  ALA  A  154  .  ?        ?  
154  1  1  A  155  HIS  A  155  .  ?        ?  
155  1  1  A  156  ARG  A  156  .  ?        ?  
156  1  1  A  157  ARG  A  157  .  ?        ?  
157  1  1  A  158  ALA  A  158  .  ?        ?  
158  1  1  A  159  LEU  A  159  .  ?        ?  
159  1  1  A  160  LEU  A  160  .  ?        ?  
160  1  1  A  161  GLU  A  161  .  ?        ?  
161  1  1  A  162  HIS  A  162  .  ?        1  
162  1  1  A  163  HIS  A  163  .  ?        ?  
163  1  1  A  164  HIS  A  164  .  ?        ?  
164  1  1  A  165  HIS  A  165  .  ?        1  
165  1  1  A  166  HIS  A  166  .  ?        2  
166  1  1  A  167  HIS  A  167  .  ?        ?  
167  1  1  B    2  ALA  B    2  .  ?        ?  
168  1  1  B    3  ARG  B    3  .  ?        6  
169  1  1  B    4  ILE  B    4  .  ?        1  
170  1  1  B    5  ARG  B    5  .  ?        2  
171  1  1  B    6  ALA  B    6  .  ?        ?  
172  1  1  B    7  VAL  B    7  .  ?        ?  
173  1  1  B    8  GLN  B    8  .  ?        ?  
174  1  1  B    9  GLY  B    9  .  ?        ?  
175  1  1  B   10  ASP  B   10  .  ?        4  
176  1  1  B   11  ILE  B   11  .  ?        2  
177  1  1  B   12  THR  B   12  .  ?        4  
178  1  1  B   13  GLU  B   13  .  ?        1  
179  1  1  B   14  PHE  B   14  .  ?        ?  
180  1  1  B   15  GLN  B   15  .  ?        2  
181  1  1  B   16  GLY  B   16  .  ?        ?  
182  1  1  B   17  ASP  B   17  .  ?        1  
183  1  1  B   18  ALA  B   18  .  ?        ?  
184  1  1  B   19  ILE  B   19  .  ?        1  
185  1  1  B   20  VAL  B   20  .  ?        ?  
186  1  1  B   21  ASN  B   21  .  ?        ?  
187  1  1  B   22  ALA  B   22  .  ?        ?  
188  1  1  B   23  ALA  B   23  .  ?        ?  
189  1  1  B   24  ASN  B   24  .  ?        ?  
190  1  1  B   25  ASN  B   25  .  ?        ?  
191  1  1  B   26  TYR  B   26  .  ?        ?  
192  1  1  B   27  LEU  B   27  .  ?        1  
193  1  1  B   28  LYS  B   28  .  ?        1  
194  1  1  B   29  LEU  B   29  .  ?        ?  
195  1  1  B   30  GLY  B   30  .  ?        ?  
196  1  1  B   31  ALA  B   31  .  ?        ?  
197  1  1  B   32  GLY  B   32  .  ?        ?  
198  1  1  B   33  VAL  B   33  .  ?        ?  
199  1  1  B   34  ALA  B   34  .  ?        ?  
200  1  1  B   35  GLY  B   35  .  ?        ?  
201  1  1  B   36  ALA  B   36  .  ?        ?  
202  1  1  B   37  ILE  B   37  .  ?        1  
203  1  1  B   38  LEU  B   38  .  ?        2  
204  1  1  B   39  ARG  B   39  .  ?        ?  
205  1  1  B   40  LYS  B   40  .  ?        2  
206  1  1  B   41  GLY  B   41  .  ?        ?  
207  1  1  B   42  GLY  B   42  .  ?        ?  
208  1  1  B   43  PRO  B   43  .  ?        ?  
209  1  1  B   44  SER  B   44  .  ?        ?  
210  1  1  B   45  ILE  B   45  .  ?        ?  
211  1  1  B   46  GLN  B   46  .  ?        1  
212  1  1  B   47  GLU  B   47  .  ?        ?  
213  1  1  B   48  GLU  B   48  .  ?        3  
214  1  1  B   49  CYS  B   49  .  ?        ?  
215  1  1  B   50  ASP  B   50  .  ?        ?  
216  1  1  B   51  ARG  B   51  .  ?        2  
217  1  1  B   52  ILE  B   52  .  ?        ?  
218  1  1  B   53  GLY  B   53  .  ?        1  
219  1  1  B   54  LYS  B   54  .  ?        ?  
220  1  1  B   55  ILE  B   55  .  ?        ?  
221  1  1  B   56  ARG  B   56  .  ?        ?  
222  1  1  B   57  VAL  B   57  .  ?        ?  
223  1  1  B   58  GLY  B   58  .  ?        ?  
224  1  1  B   59  GLU  B   59  .  ?        ?  
225  1  1  B   60  ALA  B   60  .  ?        ?  
226  1  1  B   61  ALA  B   61  .  ?        ?  
227  1  1  B   62  VAL  B   62  .  ?        1  
228  1  1  B   63  THR  B   63  .  ?        3  
229  1  1  B   64  GLY  B   64  .  ?        1  
230  1  1  B   65  ALA  B   65  .  ?        ?  
231  1  1  B   66  GLY  B   66  .  ?        ?  
232  1  1  B   67  ASN  B   67  .  ?        ?  
233  1  1  B   68  LEU  B   68  .  ?        2  
234  1  1  B   69  PRO  B   69  .  ?        2  
235  1  1  B   70  VAL  B   70  .  ?        1  
236  1  1  B   71  ARG  B   71  .  ?        ?  
237  1  1  B   72  TYR  B   72  .  ?        ?  
238  1  1  B   73  VAL  B   73  .  ?        ?  
239  1  1  B   74  ILE  B   74  .  ?        ?  
240  1  1  B   75  HIS  B   75  .  ?        ?  
241  1  1  B   76  ALA  B   76  .  ?        1  
242  1  1  B   77  ALA  B   77  .  ?        ?  
243  1  1  B   78  VAL  B   78  .  ?        ?  
244  1  1  B   79  LEU  B   79  .  ?        3  
245  1  1  B   80  GLY  B   80  .  ?        ?  
246  1  1  B   81  ASP  B   81  .  ?        ?  
247  1  1  B   82  GLU  B   82  .  ?        ?  
248  1  1  B   83  PRO  B   83  .  ?        ?  
249  1  1  B   84  ALA  B   84  .  ?        1  
250  1  1  B   85  SER  B   85  .  ?        3  
251  1  1  B   86  LEU  B   86  .  ?        2  
252  1  1  B   87  GLU  B   87  .  ?        ?  
253  1  1  B   88  THR  B   88  .  ?        ?  
254  1  1  B   89  VAL  B   89  .  ?        ?  
255  1  1  B   90  ARG  B   90  .  ?        ?  
256  1  1  B   91  LYS  B   91  .  ?        ?  
257  1  1  B   92  ALA  B   92  .  ?        1  
258  1  1  B   93  THR  B   93  .  ?        ?  
259  1  1  B   94  LYS  B   94  .  ?        ?  
260  1  1  B   95  SER  B   95  .  ?        ?  
261  1  1  B   96  ALA  B   96  .  ?        ?  
262  1  1  B   97  LEU  B   97  .  ?        1  
263  1  1  B   98  GLU  B   98  .  ?        ?  
264  1  1  B   99  LYS  B   99  .  ?        ?  
265  1  1  B  100  ALA  B  100  .  ?        2  
266  1  1  B  101  VAL  B  101  .  ?        ?  
267  1  1  B  102  GLU  B  102  .  ?        ?  
268  1  1  B  103  LEU  B  103  .  ?        2  
269  1  1  B  104  GLY  B  104  .  ?        ?  
270  1  1  B  105  LEU  B  105  .  ?        5  
271  1  1  B  106  LYS  B  106  .  ?        ?  
272  1  1  B  107  THR  B  107  .  ?        ?  
273  1  1  B  108  VAL  B  108  .  ?        ?  
274  1  1  B  109  ALA  B  109  .  ?        ?  
275  1  1  B  110  PHE  B  110  .  ?        ?  
276  1  1  B  111  THR  B  111  .  ?        ?  
277  1  1  B  112  ALA  B  112  .  ?        ?  
278  1  1  B  113  LEU  B  113  .  ?        2  
279  1  1  B  114  GLY  B  114  .  ?        1  
280  1  1  B  115  ALA  B  115  .  ?        ?  
281  1  1  B  116  TRP  B  116  .  ?        ?  
282  1  1  B  117  VAL  B  117  .  ?        3  
283  1  1  B  118  GLY  B  118  .  ?        ?  
284  1  1  B  119  GLY  B  119  .  ?        ?  
285  1  1  B  120  LEU  B  120  .  ?        8  
286  1  1  B  121  PRO  B  121  .  ?        2  
287  1  1  B  122  ALA  B  122  .  ?        ?  
288  1  1  B  123  GLU  B  123  .  ?        ?  
289  1  1  B  124  ALA  B  124  .  ?        1  
290  1  1  B  125  VAL  B  125  .  ?        1  
291  1  1  B  126  LEU  B  126  .  ?        ?  
292  1  1  B  127  ARG  B  127  .  ?        1  
293  1  1  B  128  VAL  B  128  .  ?        ?  
294  1  1  B  129  MSE  B  129  .  ?        2  
295  1  1  B  130  ASP  B  130  .  ?        ?  
296  1  1  B  131  GLU  B  131  .  ?        2  
297  1  1  B  132  GLU  B  132  .  ?        ?  
298  1  1  B  133  ILE  B  133  .  ?        3  
299  1  1  B  134  LYS  B  134  .  ?        ?  
300  1  1  B  135  LYS  B  135  .  ?        1  
301  1  1  B  136  ALA  B  136  .  ?        1  
302  1  1  B  137  PRO  B  137  .  ?        ?  
303  1  1  B  138  ASP  B  138  .  ?        ?  
304  1  1  B  139  THR  B  139  .  ?        ?  
305  1  1  B  140  LEU  B  140  .  ?        ?  
306  1  1  B  141  GLU  B  141  .  ?        ?  
307  1  1  B  142  VAL  B  142  .  ?        1  
308  1  1  B  143  THR  B  143  .  ?        ?  
309  1  1  B  144  GLY  B  144  .  ?        ?  
310  1  1  B  145  VAL  B  145  .  ?        ?  
311  1  1  B  146  HIS  B  146  .  ?        ?  
312  1  1  B  147  GLY  B  147  .  ?        ?  
313  1  1  B  148  THR  B  148  .  ?        2  
314  1  1  B  149  GLU  B  149  .  ?        1  
315  1  1  B  150  LYS  B  150  .  ?        ?  
316  1  1  B  151  SER  B  151  .  ?        2  
317  1  1  B  152  ALA  B  152  .  ?        ?  
318  1  1  B  153  GLU  B  153  .  ?        1  
319  1  1  B  154  ALA  B  154  .  ?        ?  
320  1  1  B  155  HIS  B  155  .  ?        ?  
321  1  1  B  156  ARG  B  156  .  ?        ?  
322  1  1  B  157  ARG  B  157  .  ?        2  
323  1  1  B  158  ALA  B  158  .  ?        ?  
324  1  1  B  159  LEU  B  159  .  ?        1  
325  1  1  B  160  LEU  B  160  .  ?        ?  
326  1  1  B  161  GLU  B  161  .  ?        ?  
327  1  1  B  162  HIS  B  162  .  ?        2  
328  1  1  B  163  HIS  B  163  .  ?        ?  
329  1  1  B  164  HIS  B  164  .  ?        1  
330  1  1  B  165  HIS  B  165  .  ?        ?  
331  1  1  B  166  HIS  B  166  .  ?        ?  
332  1  2  C    .  NA   A  201  .  ?        ?  
333  1  3  D    .  HOH  A  301  .  ?        ?  
334  1  3  D    .  HOH  A  302  .  ?        ?  
335  1  3  D    .  HOH  A  303  .  ?        ?  
336  1  3  D    .  HOH  A  304  .  ?        ?  
337  1  3  D    .  HOH  A  305  .  ?        ?  
338  1  3  D    .  HOH  A  306  .  ?        ?  
339  1  3  E    .  HOH  B  201  .  ?        ?  
340  1  3  E    .  HOH  B  202  .  ?        ?  
341  1  3  E    .  HOH  B  203  .  ?        ?  
#
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.flippable_sidechain
_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  ?             ?       ?  ?           ?     4   13.770     5  0.66     7  0.41  molprobity  1.000  
  2    2  mtm180    -63.4   153.7  Favored     ?    13   23.510    11  0.26    14  0.67  molprobity  1.000  
  3    3  mt       -136.4   120.4  Favored     ?    11   12.710     8  0.33    11  0.71  molprobity  1.000  
  4    4  mtm105   -104.0   151.8  Favored     ?    13   23.170    11  0.27    14  0.94  molprobity  1.000  
  5    5  ?        -131.0   118.5  Favored     ?     5   21.400     5  0.39     7  0.30  molprobity  1.000  
  6    6  m        -141.7   153.5  Favored     ?     9   16.820     7  0.29    10  0.98  molprobity  1.000  
  7    7  tm0?      -83.8   144.4  Favored     ?     8   13.650     9  0.43    12  1.12  molprobity  1.000  
  8    8  ?         159.5  -169.1  Favored     ?     3    5.210     4  0.43     5  0.48  molprobity  1.000  
  9    9  t0       -105.0   127.8  Favored     ?     4   29.520     8  0.31    11  0.42  molprobity  1.000  
 10   10  tp        -67.3   -26.1  Favored     ?    11    5.860     8  0.28    11  0.58  molprobity  1.000  
 11   11  t         -71.9   -10.5  Favored     ?     7   23.000     7  0.35    10  0.70  molprobity  1.000  
 12   12  mm-40    -113.1    17.8  Favored     ?     6   17.680     9  0.40    12  0.32  molprobity  1.000  
 13   13  t80       -78.5   135.2  Favored     ?     9    8.460    12  0.69    16  0.36  molprobity  1.000  
 14   14  tt0      -107.1   110.5  Favored     ?     8   27.860     9  0.27    12  0.58  molprobity  1.000  
 15   15  ?         179.3  -160.6  Favored     ?     3   11.270     4  0.23     5  0.41  molprobity  1.000  
 16   16  m-20      -72.2   -44.2  Favored     ?     4   25.400     8  0.26    11  0.47  molprobity  1.000  
 17   17  ?        -159.8   173.5  Favored     ?     5    7.970     5  0.21     7  1.05  molprobity  1.000  
 18   18  pt       -136.8   140.1  Favored     ?    11   12.810     8  0.45    11  0.82  molprobity  1.000  
 19   19  t         -96.9   128.2  Favored     ?     9   14.610     7  0.28    10  0.57  molprobity  1.000  
 20   20  t-20     -108.7   109.7  Favored     ?     6   26.770     8  0.37    11  0.58  molprobity  1.000  
 21   21  ?         -58.4   136.2  Favored     ?     5   14.920     5  0.33     7  1.22  molprobity  1.000  
 22   22  ?        -148.9   178.6  Favored     ?     5   13.990     5  0.34     7  0.75  molprobity  1.000  
 23   23  p30       -98.8   152.9  Favored     ?     6   11.370     8  0.36    11  1.19  molprobity  1.000  
 24   24  p-10      -66.8     4.5  Allowed     ?     6   18.260     8  0.24    11  0.68  molprobity  1.000  
 25   25  m-85      -99.5    -6.1  Favored     ?     9   17.280    13  0.29    18  0.55  molprobity  1.000  
 26   26  mt         63.0    34.7  Favored     ?    11   16.530     8  0.40    11  0.69  molprobity  1.000  
 27   27  mmtm      -99.8   108.6  Favored     ?    13   26.330     9  0.36    11  0.51  molprobity  1.000  
 28   28  mp        -72.3   122.3  Favored     ?    11   15.690     8  0.31    11  0.49  molprobity  1.000  
 29   29  ?         -92.3  -135.2  Favored     ?     3   34.030     4  0.20     5  0.66  molprobity  1.000  
 30   30  ?         -99.2  -176.1  Favored     ?     5   24.460     5  0.18     7  0.40  molprobity  1.000  
 31   31  ?          70.6  -139.3  Favored     ?     3   22.020     4  0.32     5  0.38  molprobity  1.000  
 32   32  t         -56.2   -51.5  Favored     ?     9   13.100     7  0.11    10  0.54  molprobity  1.000  
 33   33  ?         -49.2   -52.4  Favored     ?     5   22.820     5  0.20     7  0.37  molprobity  1.000  
 34   34  ?         -62.0   -31.2  Favored     ?     3   25.770     4  0.28     5  0.49  molprobity  1.000  
 35   35  ?         -65.2   -35.4  Favored     ?     5   21.560     5  0.23     7  0.52  molprobity  1.000  
 36   36  mt        -69.2   -37.9  Favored     ?    11   11.420     8  0.23    11  0.58  molprobity  1.000  
 37   37  tm?       -69.5   -40.7  Favored     ?    11   18.910     8  0.32    11  0.70  molprobity  1.000  
 38   38  tpt85     -61.0   -71.3  Allowed     ?    13   46.180    11  0.21    14  0.41  molprobity  1.000  
 39   39  mmmm      -59.9   -37.6  Favored     ?    13   16.110     9  0.25    11  0.54  molprobity  1.000  
 40   40  ?         -66.8   -58.4  Favored     ?     3   29.670     4  0.18     5  0.64  molprobity  1.000  
 41   41  ?         122.4   164.2  Favored     ?     3   29.110     4  0.32     6  0.75  molprobity  1.000  
 42   42  Cg_exo    -48.4   -42.7  Favored     ?     7   27.950     8  0.23    11  0.59  molprobity  1.000  
 43   43  p         -46.8   -33.2  Favored     ?     5   27.350     6  0.28     8  0.62  molprobity  1.000  
 44   44  mt        -65.3   -55.9  Favored     ?    11   11.630     8  0.22    11  0.75  molprobity  1.000  
 45   45  tp60      -61.7   -31.6  Favored     ?     8   15.110     9  0.32    12  0.31  molprobity  1.000  
 46   46  mt-10     -60.4   -48.1  Favored     ?     6   27.850     9  0.34    12  0.37  molprobity  1.000  
 47   47  mt-10     -65.3   -36.9  Favored     ?     6   36.120     9  0.30    12  0.35  molprobity  1.000  
 48   48  m         -61.5   -34.6  Favored     ?     5   11.140     6  0.19     8  0.37  molprobity  1.000  
 49   49  m-20      -69.9   -45.3  Favored     ?     4   24.110     8  0.25    11  0.42  molprobity  1.000  
 50   50  mtt85     -55.8   -34.8  Favored     ?    13   44.860    11  0.20    14  0.47  molprobity  1.000  
 51   51  mt        -77.2   -45.9  Favored     ?    11   19.160     8  0.30    11  0.58  molprobity  1.000  
 52   52  ?          81.4  -169.1  Favored     ?     3   27.970     4  0.30     5  0.37  molprobity  1.000  
 53   53  tttt      -57.8   148.8  Favored     ?    13   20.900     9  0.60    11  0.73  molprobity  1.000  
 54   54  pt       -141.4  -177.0  Allowed     ?    11   17.890     8  0.32    11  0.99  molprobity  1.000  
 55   55  mtt85     -86.5   152.8  Favored     ?    13   17.100    11  0.30    14  0.59  molprobity  1.000  
 56   56  t         -72.0   127.1  Favored     ?     9   20.870     7  0.41    10  1.05  molprobity  1.000  
 57   57  ?         110.0   -15.6  Favored     ?     3   11.850     4  0.36     5  0.49  molprobity  1.000  
 58   58  mt-10     -96.3   173.8  Favored     ?     6   28.330     9  0.43    12  0.61  molprobity  1.000  
 59   59  ?        -130.1   160.8  Favored     ?     5   23.490     5  0.28     7  0.37  molprobity  1.000  
 60   60  ?        -142.9   139.2  Favored     ?     5   14.290     5  0.27     7  0.65  molprobity  1.000  
 61   61  t         -98.6   148.9  Favored     ?     9    8.490     7  0.31    10  0.64  molprobity  1.000  
 62   62  OUTLIER  -147.2   155.8  Favored     ?     7   26.790     7  0.69    10  0.61  molprobity  1.000  
 63   63  ?         -70.2   150.6  Favored     ?     3   26.470     4  0.25     5  1.25  molprobity  1.000  
 64   64  ?         -88.6    12.9  Favored     ?     5   17.810     5  0.43     7  1.20  molprobity  1.000  
 65   65  ?          57.4  -138.3  Favored     ?     3   15.310     4  0.44     5  0.28  molprobity  1.000  
 66   66  m-20      -79.0    -1.0  Favored     ?     6   27.540     8  0.39    11  0.48  molprobity  1.000  
 67   67  mt        -68.3   150.9  Favored     ?    11   18.560     8  0.25    12  0.65  molprobity  1.000  
 68   68  Cg_endo   -72.3    33.8  Allowed     ?     7   18.960     8  0.33    11  0.73  molprobity  1.000  
 69   69  m        -139.8   162.0  Favored     ?     9   13.460     7  0.42    10  0.79  molprobity  1.000  
 70   70  mtm180    -78.6   -45.2  Favored     ?    13   36.930    11  0.23    14  0.47  molprobity  1.000  
 71   71  m-85     -132.1   160.1  Favored     ?     9   13.190    13  0.49    18  0.85  molprobity  1.000  
 72   72  t        -122.0   109.8  Favored     ?     9   15.670     7  0.48    10  1.03  molprobity  1.000  
 73   73  mt        -88.0   117.2  Favored     ?    11   18.590     8  0.22    11  0.48  molprobity  1.000  
 74   74  m-70      -94.9   115.2  Favored     ?     7    9.040    11  0.20    15  0.31  molprobity  1.000  
 75   75  ?        -110.3   111.0  Favored     ?     5   20.560     5  0.26     7  0.28  molprobity  1.000  
 76   76  ?         -69.5   115.2  Favored     ?     5   19.570     5  0.13     7  0.29  molprobity  1.000  
 77   77  m        -106.6   -13.9  Favored     ?     9   10.110     7  0.16    10  0.71  molprobity  1.000  
 78   78  pp       -165.9   171.2  Favored     ?    11   14.980     8  0.20    11  0.80  molprobity  1.000  
 79   79  ?         151.1   -80.5  Allowed     ?     3   29.430     4  0.29     5  0.71  molprobity  1.000  
 80   80  m-20      -71.0   -26.5  Favored     ?     4   17.220     8  0.25    11  0.52  molprobity  1.000  
 81   81  pt-20    -138.0   158.5  Favored     ?     6   27.020     9  0.35    13  0.47  molprobity  1.000  
 82   82  Cg_endo   -63.8   159.0  Favored     ?     7   15.990     8  0.20    11  0.50  molprobity  1.000  
 83   83  ?         -72.4   139.2  Favored     ?     5   17.600     5  0.24     7  0.37  molprobity  1.000  
 84   84  p        -143.1   157.4  Favored     ?     5   15.200     6  0.41     8  0.39  molprobity  1.000  
 85   85  mt        -59.2   -19.0  Favored     ?    11   14.920     8  0.35    11  0.75  molprobity  1.000  
 86   86  tp10      -75.3   -50.0  Favored     ?     6   47.910     9  0.29    12  0.32  molprobity  1.000  
 87   87  p         -66.5   -26.1  Favored     ?     7   14.230     7  0.46    10  0.65  molprobity  1.000  
 88   88  t         -73.0   -47.8  Favored     ?     9   13.830     7  0.48    10  0.57  molprobity  1.000  
 89   89  ttm-85    -52.7   -42.4  Favored     ?    13   20.130    11  0.30    14  0.78  molprobity  1.000  
 90   90  mttt      -66.5   -53.0  Favored     ?    13   18.870     9  0.13    11  0.36  molprobity  1.000  
 91   91  ?         -55.5   -35.5  Favored     ?     5   13.320     5  0.46     7  0.28  molprobity  1.000  
 92   92  m         -68.4   -54.1  Favored     ?     7    7.320     7  0.24    10  0.58  molprobity  1.000  
 93   93  tttm      -56.8   -42.9  Favored     ?    13   13.630     9  0.36    11  0.49  molprobity  1.000  
 94   94  m         -58.2   -47.6  Favored     ?     5   16.490     6  0.23     8  0.37  molprobity  1.000  
 95   95  ?         -64.7   -36.5  Favored     ?     5    7.840     5  0.39     7  0.46  molprobity  1.000  
 96   96  mt        -66.5   -30.4  Favored     ?    11   17.980     8  0.27    11  0.45  molprobity  1.000  
 97   97  mt-10     -74.2   -35.1  Favored     ?     6   25.140     9  0.47    12  0.62  molprobity  1.000  
 98   98  mmtm      -65.1   -46.2  Favored     ?    13   13.950     9  0.36    11  0.51  molprobity  1.000  
 99   99  ?         -53.3   -44.7  Favored     ?     5   20.210     5  0.38     7  0.49  molprobity  1.000  
100  100  t         -68.3   -41.5  Favored     ?     9   20.520     7  0.25    10  0.69  molprobity  1.000  
101  101  mt-10     -56.7   -46.8  Favored     ?     6   27.960     9  0.37    12  0.51  molprobity  1.000  
102  102  mt        -80.9     1.8  Favored     ?    11   18.630     8  0.22    11  0.51  molprobity  1.000  
103  103  ?          64.4    37.8  Favored     ?     3   11.440     4  0.28     5  0.18  molprobity  1.000  
104  104  OUTLIER   -73.0   165.8  Favored     ?    11   14.620     8  0.27    11  0.55  molprobity  1.000  
105  105  ttmt     -133.1   -27.1  Allowed     ?    13   27.450     9  0.36    11  0.43  molprobity  1.000  
106  106  p        -131.4   106.5  Favored     ?     7   10.920     7  0.33    10  0.77  molprobity  1.000  
107  107  t        -122.7   146.2  Favored     ?     9    7.370     7  0.53    10  0.78  molprobity  1.000  
108  108  ?        -127.7   131.0  Favored     ?     5   20.270     5  0.32     7  0.61  molprobity  1.000  
109  109  m-85     -103.7   166.9  Favored     ?     9   10.160    12  0.62    16  0.61  molprobity  1.000  
110  110  m        -113.7   137.0  Favored     ?     7   16.820     7  0.40    10  0.69  molprobity  1.000  
111  111  ?        -107.8    91.7  Favored     ?     5   14.700     5  0.30     7  0.97  molprobity  1.000  
112  112  mm?       -61.2    -8.0  Favored     ?    11   29.920     8  0.35    11  1.01  molprobity  1.000  
113  113  ?          50.4  -123.6  Favored     ?     3   21.420     4  0.28     5  0.35  molprobity  1.000  
114  114  ?         -66.9    -9.2  Favored     ?     5   26.230     5  0.29     7  0.36  molprobity  1.000  
115  115  m0        -94.4    12.7  Favored     ?    10   25.620    16  0.54    23  0.27  molprobity  1.000  
116  116  m         -62.0   -25.5  Favored     ?     9   27.980     7  0.60    10  1.12  molprobity  1.000  
117  117  ?          86.2  -119.9  Favored     ?     3   34.180     4  0.46     5  0.37  molprobity  1.000  
118  118  ?         -61.9   -53.4  Favored     ?     3   21.190     4  0.36     5  1.43  molprobity  1.000  
119  119  mp        -77.8   154.3  Favored     ?    11   22.130     8  0.32    12  0.79  molprobity  1.000  
120  120  Cg_endo   -66.0   113.1  Favored     ?     7   11.420     8  0.37    11  0.64  molprobity  1.000  
121  121  ?         -38.8   -57.2  Allowed     ?     5   13.890     5  0.45     7  0.57  molprobity  1.000  
122  122  mm-40     -47.7   -45.0  Favored     ?     6   19.110     9  0.33    12  0.54  molprobity  1.000  
123  123  ?         -70.4   -31.8  Favored     ?     5   19.780     5  0.34     7  0.39  molprobity  1.000  
124  124  t         -69.2   -42.0  Favored     ?     9   10.310     7  0.28    10  0.63  molprobity  1.000  
125  125  tp        -60.9   -44.8  Favored     ?    11   20.840     8  0.24    11  0.44  molprobity  1.000  
126  126  mtm-85    -57.1   -51.1  Favored     ?    13    9.910    11  0.45    14  0.56  molprobity  1.000  
127  127  t         -60.0   -45.6  Favored     ?     9   14.200     6  0.35     7  0.60  molprobity  1.000  
128  128  mtp       -61.4   -40.5  Favored     ?     9   19.080     8  0.51    10  0.45  molprobity  1.000  
129  129  m-20      -64.1   -51.3  Favored     ?     4   21.310     8  0.23    11  0.45  molprobity  1.000  
130  130  mt-10     -46.3   -47.8  Favored     ?     6   18.580     9  0.25    12  0.50  molprobity  1.000  
131  131  mm-40     -66.5   -46.4  Favored     ?     6   22.860     9  0.25    12  0.36  molprobity  1.000  
132  132  mt        -57.3   -43.0  Favored     ?    11   14.810     8  0.22    11  0.69  molprobity  1.000  
133  133  pttm      -63.6   -12.4  Favored     ?    13   38.290     9  0.24    11  0.27  molprobity  1.000  
134  134  mttt      -92.5   -24.4  Favored     ?    13   15.220     9  0.28    11  0.52  molprobity  1.000  
135  135  ?         -61.7   153.7  Favored     ?     5    6.850     5  0.27     8  0.44  molprobity  1.000  
136  136  Cg_exo    -52.1   144.2  Favored     ?     7   22.890     8  0.23    11  0.56  molprobity  1.000  
137  137  m-20      -73.5     4.6  Favored     ?     4   18.070     8  0.16    11  0.56  molprobity  1.000  
138  138  p         -80.5    -0.9  Favored     ?     7   12.860     7  0.24    10  0.85  molprobity  1.000  
139  139  mp       -107.2   146.7  Favored     ?    11   15.520     8  0.31    11  0.64  molprobity  1.000  
140  140  tm-20    -124.2    93.7  Favored     ?     6   37.110     9  0.33    12  0.97  molprobity  1.000  
141  141  t         -84.7   134.4  Favored     ?     9   20.040     7  0.30    10  0.52  molprobity  1.000  
142  142  m        -121.1   127.1  Favored     ?     7   26.000     7  0.24    10  0.70  molprobity  1.000  
143  143  ?         -96.1   116.4  Favored     ?     3    9.860     4  0.32     5  0.82  molprobity  1.000  
144  144  t         -99.6   110.5  Favored     ?     9    6.500     7  0.30    10  0.57  molprobity  1.000  
145  145  m-70      -91.0   151.5  Favored     ?     7   18.480    11  0.24    15  0.31  molprobity  1.000  
146  146  ?         -79.2   -30.2  Favored     ?     3    8.400     4  0.29     5  0.64  molprobity  1.000  
147  147  m        -121.3   144.5  Favored     ?     7   15.920     7  0.26    10  0.66  molprobity  1.000  
148  148  tp10      -60.2   -39.4  Favored     ?     6   19.400     9  0.22    12  0.47  molprobity  1.000  
149  149  tptt      -55.2   -49.7  Favored     ?    13   30.120     9  0.37    11  0.49  molprobity  1.000  
150  150  p         -70.6   -30.6  Favored     ?     5    9.870     6  0.39     8  0.32  molprobity  1.000  
151  151  ?         -69.9   -45.7  Favored     ?     5   12.030     5  0.32     7  0.26  molprobity  1.000  
152  152  tm-20     -61.3   -40.8  Favored     ?     6   38.800     9  0.48    12  0.41  molprobity  1.000  
153  153  ?         -64.2   -38.4  Favored     ?     5   13.030     5  0.29     7  0.46  molprobity  1.000  
154  154  t-160     -64.2   -43.3  Favored     ?     7   16.570    11  0.26    15  0.31  molprobity  1.000  
155  155  mtm-85    -61.0   -40.8  Favored     ?    13   13.340    11  0.29    14  0.46  molprobity  1.000  
156  156  ttp180    -64.6   -30.6  Favored     ?    13   27.640    11  0.24    14  0.57  molprobity  1.000  
157  157  ?         -74.3   -36.5  Favored     ?     5   10.490     5  0.18     7  0.59  molprobity  1.000  
158  158  mt        -68.7   -33.3  Favored     ?    11   21.110     8  0.18    11  0.45  molprobity  1.000  
159  159  mt        -74.6   -47.7  Favored     ?    11   22.100     8  0.19    11  0.52  molprobity  1.000  
160  160  mm-40     -58.0   -31.1  Favored     ?     6   33.640     9  0.26    12  0.44  molprobity  1.000  
161  161  t60       -68.9   -60.4  Favored     ?     7   34.450    11  0.16    15  0.28  molprobity  1.000  
162  162  m-70      -47.4   -60.3  Favored     ?     7   45.100    11  0.22    15  0.43  molprobity  1.000  
163  163  t-80      -45.7   -35.8  Favored     ?     7   23.600    11  0.13    15  0.43  molprobity  1.000  
164  164  m80      -109.2   -29.3  Favored     ?     7   28.320    11  0.17    15  0.55  molprobity  1.000  
165  165  m-70       64.9    53.6  Allowed     ?     7   52.200    11  0.10    15  0.80  molprobity  1.000  
166  166  m170          ?       ?  ?           ?     7   95.430    11  0.50    12  0.53  molprobity  1.000  
167  167  ?             ?       ?  ?           ?     4   10.010     5  0.85     7  0.38  molprobity  1.000  
168  168  OUTLIER   -69.3   139.4  Favored     ?    13   50.150    11  0.35    14  0.47  molprobity  1.000  
169  169  mt       -118.1   111.9  Favored     ?    11   20.380     8  0.28    11  0.59  molprobity  1.000  
170  170  ttm-85    -99.7   114.9  Favored     ?    13   34.550    11  0.29    14  0.62  molprobity  1.000  
171  171  ?         -97.0   111.9  Favored     ?     5   17.140     5  0.24     7  0.39  molprobity  1.000  
172  172  m        -127.4   168.7  Favored     ?     9   16.850     7  0.33    10  0.82  molprobity  1.000  
173  173  tm0?     -106.5   144.4  Favored     ?     8   17.150     9  0.46    12  0.85  molprobity  1.000  
174  174  ?         160.3  -159.2  Favored     ?     3   10.310     4  0.49     5  1.25  molprobity  1.000  
175  175  t0       -107.2   110.2  Favored     ?     4   22.250     8  0.42    11  0.55  molprobity  1.000  
176  176  tp        -57.9   -14.3  Favored     ?    11   13.390     8  0.33    11  0.41  molprobity  1.000  
177  177  OUTLIER   -90.1    -5.8  Favored     ?     7   24.210     7  0.36    10  0.56  molprobity  1.000  
178  178  OUTLIER  -107.5    -0.4  Favored     ?     6   26.710     9  0.47    12  0.50  molprobity  1.000  
179  179  t80       -69.9   119.7  Favored     ?     9   13.390    12  0.75    16  0.53  molprobity  1.000  
180  180  mt-30     -96.6   110.1  Favored     ?     8   19.290     9  0.29    12  0.42  molprobity  1.000  
181  181  ?        -172.6  -162.9  Favored     ?     3   17.850     4  0.40     5  0.48  molprobity  1.000  
182  182  m-20      -73.0   -45.3  Favored     ?     4   18.690     8  0.37    11  0.44  molprobity  1.000  
183  183  ?        -157.2   161.5  Favored     ?     5    6.070     5  0.53     7  0.73  molprobity  1.000  
184  184  pt       -122.6   148.0  Favored     ?    11   13.440     8  0.35    11  1.17  molprobity  1.000  
185  185  t        -106.1   121.7  Favored     ?     9   12.450     7  0.62    10  0.88  molprobity  1.000  
186  186  t-20     -104.9   124.0  Favored     ?     6   18.130     8  0.37    11  0.41  molprobity  1.000  
187  187  ?         -69.3   123.0  Favored     ?     5    5.190     5  0.30     7  0.82  molprobity  1.000  
188  188  ?        -131.2   169.1  Favored     ?     5   16.600     5  0.27     7  0.95  molprobity  1.000  
189  189  p30       -92.9   156.0  Favored     ?     6   14.020     8  0.41    11  1.10  molprobity  1.000  
190  190  p-10      -62.5   -13.1  Favored     ?     6   24.390     8  0.30    11  0.55  molprobity  1.000  
191  191  m-85      -82.9    -8.1  Favored     ?     9   19.470    13  0.50    18  0.33  molprobity  1.000  
192  192  mt         56.2    37.1  Favored     ?    11   10.360     8  0.39    11  0.79  molprobity  1.000  
193  193  mmtm     -107.6   106.7  Favored     ?    13    9.210     9  0.51    11  0.70  molprobity  1.000  
194  194  mp        -60.5   141.8  Favored     ?    11   28.010     8  0.32    11  0.57  molprobity  1.000  
195  195  ?        -121.9  -142.3  Favored     ?     3   21.970     4  0.23     5  1.27  molprobity  1.000  
196  196  ?         -69.4   177.4  Favored     ?     5   29.510     5  0.53     7  0.49  molprobity  1.000  
197  197  ?          56.7  -143.2  Favored     ?     3   31.460     4  0.38     5  0.80  molprobity  1.000  
198  198  t         -51.4   -40.6  Favored     ?     9   16.390     7  0.20    10  0.54  molprobity  1.000  
199  199  ?         -63.1   -37.0  Favored     ?     5   16.360     5  0.18     7  0.59  molprobity  1.000  
200  200  ?         -65.5   -38.9  Favored     ?     3   10.650     4  0.32     5  0.69  molprobity  1.000  
201  201  ?         -58.6   -42.3  Favored     ?     5   14.510     5  0.29     7  0.37  molprobity  1.000  
202  202  mt        -61.0   -57.7  Favored     ?    11   19.830     8  0.26    11  0.42  molprobity  1.000  
203  203  tt        -56.4   -30.7  Favored     ?    11   26.030     8  0.29    11  1.00  molprobity  1.000  
204  204  tpt85     -72.9   -48.1  Favored     ?    13   29.280    11  0.23    14  0.49  molprobity  1.000  
205  205  tttp      -80.5   -41.9  Favored     ?    13   29.830     9  0.30    11  0.28  molprobity  1.000  
206  206  ?         -66.1   -40.7  Favored     ?     3   16.480     4  0.26     5  0.62  molprobity  1.000  
207  207  ?         105.1  -174.6  Favored     ?     3   23.600     4  0.28     6  0.65  molprobity  1.000  
208  208  Cg_exo    -63.4   -41.9  Favored     ?     7   17.520     8  0.14    11  0.62  molprobity  1.000  
209  209  p         -46.0   -32.1  Favored     ?     5   21.400     6  0.38     8  0.59  molprobity  1.000  
210  210  mt        -67.6   -56.9  Favored     ?    11   16.330     8  0.23    11  0.50  molprobity  1.000  
211  211  tp60      -57.0   -44.8  Favored     1     8   21.960     9  0.28    12  0.39  molprobity  1.000  
212  212  mt-10     -50.7   -38.0  Favored     ?     6   34.260     9  0.44    12  0.33  molprobity  1.000  
213  213  mt-10     -74.0   -42.6  Favored     ?     6   22.820     9  0.49    12  0.58  molprobity  1.000  
214  214  m         -56.6   -39.5  Favored     ?     5   15.410     6  0.17     8  0.66  molprobity  1.000  
215  215  m-20      -66.8   -40.6  Favored     ?     4   24.620     8  0.22    11  0.43  molprobity  1.000  
216  216  mtt85     -65.8   -42.3  Favored     ?    13   27.740    11  0.35    14  0.70  molprobity  1.000  
217  217  mt        -60.4   -45.6  Favored     ?    11   14.480     8  0.25    11  0.65  molprobity  1.000  
218  218  ?          79.6  -166.8  Favored     ?     3   25.150     4  0.48     5  0.70  molprobity  1.000  
219  219  tttt      -62.8   145.2  Favored     ?    13   20.940     9  0.28    11  0.83  molprobity  1.000  
220  220  pt       -132.1  -176.2  Allowed     ?    11   17.960     8  0.36    11  0.94  molprobity  1.000  
221  221  mtt180    -93.9   141.8  Favored     ?    13   32.120    11  0.30    14  0.44  molprobity  1.000  
222  222  t         -62.7   122.3  Favored     ?     9   14.820     7  0.35    10  0.84  molprobity  1.000  
223  223  ?         120.9   -17.8  Favored     ?     3    9.490     4  0.21     5  0.85  molprobity  1.000  
224  224  mt-10     -95.3  -178.2  Favored     ?     6   23.730     9  0.39    12  0.67  molprobity  1.000  
225  225  ?        -142.1   150.2  Favored     ?     5   10.700     5  0.25     7  0.31  molprobity  1.000  
226  226  ?        -133.7   124.5  Favored     ?     5   10.440     5  0.32     7  0.28  molprobity  1.000  
227  227  t         -83.9   155.8  Favored     ?     9   16.310     7  0.35    10  0.55  molprobity  1.000  
228  228  m        -158.7   165.2  Favored     ?     7   19.210     7  0.29    10  0.62  molprobity  1.000  
229  229  ?         -69.6   167.0  Favored     ?     3   15.510     4  0.46     5  1.29  molprobity  1.000  
230  230  ?        -113.5    12.2  Favored     ?     5   10.290     5  0.39     7  0.40  molprobity  1.000  
231  231  ?          44.7  -116.5  Allowed     ?     3    0.280     4  0.25     5  0.43  molprobity  1.000  
232  232  t30       -91.2    24.5  Favored     ?     6   12.890     8  0.28    11  0.61  molprobity  1.000  
233  233  mt        -94.9   151.4  Favored     ?    11   22.870     8  0.23    12  0.38  molprobity  1.000  
234  234  Cg_endo   -75.4    40.3  Allowed     ?     7   16.940     8  0.27    11  0.60  molprobity  1.000  
235  235  m        -143.7   160.7  Favored     ?     9    5.190     7  0.65    10  0.88  molprobity  1.000  
236  236  tpt85     -82.2   -40.4  Favored     ?    13   51.040    11  0.43    14  0.66  molprobity  1.000  
237  237  m-85     -128.1   163.4  Favored     ?     9   13.330    13  0.42    18  0.98  molprobity  1.000  
238  238  t        -129.7   116.1  Favored     ?     9    7.480     7  0.42    10  1.05  molprobity  1.000  
239  239  mt        -95.6   107.1  Favored     ?    11   10.480     8  0.34    11  0.57  molprobity  1.000  
240  240  m-70      -87.5   104.9  Favored     ?     7   15.050    11  0.24    15  0.31  molprobity  1.000  
241  241  ?         -93.3   118.9  Favored     ?     5   12.840     5  0.47     7  0.18  molprobity  1.000  
242  242  ?         -78.7   110.8  Favored     ?     5    8.520     5  0.38     7  0.56  molprobity  1.000  
243  243  OUTLIER  -105.9   -22.1  Favored     ?     9   18.270     7  0.35    10  0.73  molprobity  1.000  
244  244  pp       -153.2  -170.7  Favored     ?    11   26.890     8  0.22    11  1.02  molprobity  1.000  
245  245  ?         137.5  -101.2  Allowed     ?     3   40.460     4  0.21     5  0.72  molprobity  1.000  
246  246  m-20      -61.9   -62.3  Allowed     ?     4   25.890     8  0.31    11  0.73  molprobity  1.000  
247  247  pt-20     -91.1   155.1  Favored     ?     6   28.100     9  0.31    13  0.48  molprobity  1.000  
248  248  Cg_endo   -71.0   171.9  Favored     ?     7   18.200     8  0.23    11  0.56  molprobity  1.000  
249  249  ?         -90.7   146.2  Favored     ?     5   22.310     5  0.35     7  0.44  molprobity  1.000  
250  250  p        -148.6   163.2  Favored     ?     5   21.510     6  0.29     8  0.77  molprobity  1.000  
251  251  mt        -50.9   -43.7  Favored     ?    11   24.400     8  0.32    11  0.65  molprobity  1.000  
252  252  tp10      -53.8   -42.8  Favored     ?     6   53.940     9  0.23    12  0.29  molprobity  1.000  
253  253  p         -70.0   -32.2  Favored     ?     7   27.480     7  0.40    10  0.66  molprobity  1.000  
254  254  t         -71.7   -27.2  Favored     ?     9   28.910     7  0.31    10  0.57  molprobity  1.000  
255  255  ttm-85    -76.3   -54.5  Favored     ?    13   21.360    11  0.27    14  0.74  molprobity  1.000  
256  256  mttt      -54.0   -46.6  Favored     ?    13   26.400     9  0.32    11  0.41  molprobity  1.000  
257  257  ?         -54.8   -48.0  Favored     ?     5   21.930     5  0.26     7  0.35  molprobity  1.000  
258  258  m         -62.2   -50.2  Favored     ?     7   18.740     7  0.30    10  0.65  molprobity  1.000  
259  259  tptm      -53.7   -48.3  Favored     ?    13   13.990     9  0.30    11  0.40  molprobity  1.000  
260  260  m         -61.1   -32.0  Favored     ?     5   16.060     6  0.35     8  0.38  molprobity  1.000  
261  261  ?         -72.2   -49.6  Favored     ?     5   16.670     5  0.18     7  0.46  molprobity  1.000  
262  262  mt        -57.0   -40.6  Favored     ?    11   12.350     8  0.29    11  0.37  molprobity  1.000  
263  263  mt-10     -60.5   -43.8  Favored     ?     6   25.930     9  0.28    12  0.38  molprobity  1.000  
264  264  mmtt      -61.3   -34.3  Favored     ?    13   21.340     9  0.28    11  0.47  molprobity  1.000  
265  265  ?         -63.2   -48.5  Favored     ?     5   12.710     5  0.29     7  0.57  molprobity  1.000  
266  266  t         -64.1   -48.0  Favored     ?     9   11.820     7  0.40    10  0.53  molprobity  1.000  
267  267  mt-10     -49.6   -30.5  Favored     ?     6   30.100     9  0.20    12  0.36  molprobity  1.000  
268  268  mt       -102.0    -2.5  Favored     ?    11   11.760     8  0.16    11  0.66  molprobity  1.000  
269  269  ?          72.4    26.1  Favored     ?     3    3.940     4  0.36     5  0.29  molprobity  1.000  
270  270  OUTLIER   -66.9   157.9  Favored     ?    11   14.360     8  0.29    11  0.88  molprobity  1.000  
271  271  mmtm     -117.0   -47.6  Favored     ?    13   30.280     9  0.35    11  0.32  molprobity  1.000  
272  272  p        -114.6   120.9  Favored     ?     7   28.010     7  0.36    10  0.77  molprobity  1.000  
273  273  t        -129.5   143.2  Favored     ?     9   13.070     7  0.28    10  0.60  molprobity  1.000  
274  274  ?        -118.8   145.8  Favored     ?     5   18.210     5  0.22     7  0.25  molprobity  1.000  
275  275  m-85     -121.3   173.0  Favored     ?     9   23.100    12  0.62    16  0.31  molprobity  1.000  
276  276  m        -116.9    99.8  Favored     ?     7   39.390     7  0.43    10  0.71  molprobity  1.000  
277  277  ?         -71.0    86.2  Allowed     ?     5   28.280     5  0.25     7  1.08  molprobity  1.000  
278  278  tp        -58.7   -21.3  Favored     ?    11   38.370     8  0.38    11  0.64  molprobity  1.000  
279  279  ?          51.3  -127.0  Favored     ?     3   55.100     4  0.30     5  0.61  molprobity  1.000  
280  280  ?         -75.3    15.2  Allowed     ?     5   44.170     5  0.25     7  0.38  molprobity  1.000  
281  281  m0       -119.3    21.3  Favored     ?    10   45.220    16  0.47    23  0.35  molprobity  1.000  
282  282  m         -94.3   -13.2  Favored     ?     9   61.560     7  0.36    10  0.75  molprobity  1.000  
283  283  ?          46.8   -94.4  OUTLIER     ?     3   66.280     4  0.21     5  0.42  molprobity  1.000  
284  284  ?         -24.0   -79.6  OUTLIER     ?     3   38.960     4  0.23     5  1.00  molprobity  1.000  
285  285  mp        -91.9   164.9  Favored     ?    11   31.940     8  0.46    12  0.67  molprobity  1.000  
286  286  Cg_endo   -69.3   106.3  Allowed     ?     7   26.360     8  0.31    11  0.60  molprobity  1.000  
287  287  ?         -31.7   -47.1  Allowed     ?     5   17.210     5  0.26     7  0.42  molprobity  1.000  
288  288  mm-40     -50.5   -64.5  Allowed     ?     6   50.350     9  0.17    12  0.47  molprobity  1.000  
289  289  ?         -54.9   -41.1  Favored     ?     5   31.470     5  0.22     7  0.33  molprobity  1.000  
290  290  t         -65.2   -41.0  Favored     ?     9   31.000     7  0.35    10  0.60  molprobity  1.000  
291  291  tp        -68.8   -38.9  Favored     ?    11   16.590     8  0.31    11  0.52  molprobity  1.000  
292  292  mtm180    -62.5   -38.9  Favored     ?    13   42.730    11  0.29    14  0.44  molprobity  1.000  
293  293  t         -63.0   -56.7  Favored     ?     9   19.970     6  0.26     7  0.62  molprobity  1.000  
294  294  ptm       -63.5   -24.9  Favored     ?     9   52.880     8  0.32    10  0.85  molprobity  1.000  
295  295  m-20      -65.3   -47.2  Favored     ?     4   25.810     8  0.24    11  0.53  molprobity  1.000  
296  296  mt-10     -59.1   -43.0  Favored     ?     6   25.500     9  0.29    12  0.38  molprobity  1.000  
297  297  mm-40     -68.0   -37.7  Favored     ?     6   14.980     9  0.48    12  0.41  molprobity  1.000  
298  298  mt        -67.7   -35.2  Favored     ?    11   14.760     8  0.27    11  0.66  molprobity  1.000  
299  299  mmtt      -64.0   -31.1  Favored     ?    13   37.110     9  0.35    11  0.35  molprobity  1.000  
300  300  mttt      -70.0   -45.6  Favored     ?    13   16.520     9  0.33    11  0.47  molprobity  1.000  
301  301  ?         -49.0   156.9  Allowed     ?     5   24.560     5  0.26     8  0.64  molprobity  1.000  
302  302  Cg_exo    -53.1   140.1  Favored     ?     7   29.610     8  0.15    11  0.50  molprobity  1.000  
303  303  m-20      -76.8     7.5  Favored     ?     4   19.600     8  0.17    11  0.62  molprobity  1.000  
304  304  p         -78.4     1.8  Favored     ?     7   22.300     7  0.26    10  1.03  molprobity  1.000  
305  305  mt       -125.2   154.1  Favored     ?    11   25.530     8  0.22    11  1.70  molprobity  1.000  
306  306  mt-10    -129.0   118.0  Favored     ?     6   34.300     9  0.44    12  0.94  molprobity  1.000  
307  307  t        -106.5   126.5  Favored     ?     9   11.090     7  0.25    10  0.73  molprobity  1.000  
308  308  m         -98.6   131.0  Favored     ?     7   18.200     7  0.22    10  0.91  molprobity  1.000  
309  309  ?        -102.7   109.9  Favored     ?     3   30.540     4  0.22     5  0.80  molprobity  1.000  
310  310  t         -94.5   112.4  Favored     ?     9   15.430     7  0.34    10  0.90  molprobity  1.000  
311  311  m-70      -95.1   144.0  Favored     ?     7    8.570    11  0.30    15  0.50  molprobity  1.000  
312  312  ?         -77.7   -27.0  Favored     ?     3   18.940     4  0.33     5  0.93  molprobity  1.000  
313  313  OUTLIER  -110.3   139.0  Favored     ?     7   20.010     7  0.42    10  0.44  molprobity  1.000  
314  314  tp10      -68.0   -46.4  Favored     ?     6   28.260     9  0.46    12  0.51  molprobity  1.000  
315  315  tttm      -55.2   -20.8  Favored     ?    13   38.170     9  0.45    11  0.51  molprobity  1.000  
316  316  t         -89.5   -36.5  Favored     ?     5   12.690     6  0.38     8  0.46  molprobity  1.000  
317  317  ?         -71.6   -39.6  Favored     ?     5   14.160     5  0.16     7  0.54  molprobity  1.000  
318  318  mt-10     -59.6   -34.5  Favored     ?     6   36.880     9  0.33    12  0.37  molprobity  1.000  
319  319  ?         -74.7   -43.5  Favored     ?     5   28.840     5  0.38     7  0.18  molprobity  1.000  
320  320  t-160     -63.0   -47.5  Favored     ?     7   21.600    11  0.15    15  0.27  molprobity  1.000  
321  321  mtm-85    -52.5   -41.2  Favored     ?    13   17.100    11  0.29    14  0.47  molprobity  1.000  
322  322  mpp_?     -70.7   -46.3  Favored     ?    13   28.820    11  0.23    14  0.38  molprobity  1.000  
323  323  ?         -56.3   -49.9  Favored     ?     5   13.890     5  0.21     7  0.17  molprobity  1.000  
324  324  mt        -58.1   -39.8  Favored     ?    11   12.990     8  0.29    11  0.40  molprobity  1.000  
325  325  tm?       -69.7   -42.9  Favored     ?    11   26.440     8  0.29    11  0.84  molprobity  1.000  
326  326  tt0       -69.3    -9.2  Favored     ?     6   49.970     9  0.43    12  0.37  molprobity  1.000  
327  327  t60       -81.9   -46.4  Favored     ?     7  122.480    11  0.16    15  0.44  molprobity  1.000  
328  328  t60       -84.3    32.4  Allowed     1     7   86.930    11  0.19    15  0.64  molprobity  1.000  
329  329  OUTLIER  -119.7   -24.3  Favored     ?     7  124.740    11  0.12    15  0.59  molprobity  1.000  
330  330  m80      -130.0    -4.4  Favored     ?     7  130.630    11  0.12    15  0.28  molprobity  1.000  
331  331  m170          ?       ?  ?           ?     7  110.120    10  0.35    12  0.31  molprobity  1.000  
332  332  ?             ?       ?  ?           ?     ?   18.740     ?     ?     ?     ?  ?           1.000  
333  333  ?             ?       ?  ?           ?     ?    5.020     ?     ?     ?     ?  ?           1.000  
334  334  ?             ?       ?  ?           ?     ?   13.160     ?     ?     ?     ?  ?           1.000  
335  335  ?             ?       ?  ?           ?     ?    5.460     ?     ?     ?     ?  ?           1.000  
336  336  ?             ?       ?  ?           ?     ?   17.280     ?     ?     ?     ?  ?           1.000  
337  337  ?             ?       ?  ?           ?     ?   12.960     ?     ?     ?     ?  ?           1.000  
338  338  ?             ?       ?  ?           ?     ?   10.770     ?     ?     ?     ?  ?           1.000  
339  339  ?             ?       ?  ?           ?     ?    5.160     ?     ?     ?     ?  ?           1.000  
340  340  ?             ?       ?  ?           ?     ?   11.630     ?     ?     ?     ?  ?           1.000  
341  341  ?             ?       ?  ?           ?     ?   14.740     ?     ?     ?     ?  ?           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    4  HD3     1  0.76  1.86  
  2    9  OD1     2  0.60  2.00  
  3    9  CG      3  0.59  2.22  
  4   11  HG22    2  0.60  2.00  
  5   11  HG22    3  0.59  2.22  
  6   11  CG2     4  0.45  2.30  
  7   11  CG2     5  0.42  2.82  
  8   13  O       6  0.51  2.10  
  9   15  O       7  0.42  2.19  
 10   16  HB3     8  0.82  1.61  
 11   23  HA      9  0.60  2.02  
 12   24  HB2    10  0.50  2.11  
 13   28  HD12   11  0.52  2.25  
 14   28  N      11  0.52  2.25  
 15   28  HD13   12  0.51  2.10  
 16   32  O      13  0.45  2.17  
 17   35  HB3    13  0.45  2.17  
 18   39  HB2    14  0.53  1.91  
 19   39  HZ3     4  0.45  2.30  
 20   39  NZ      5  0.42  2.82  
 21   44  HG23   15  0.84  1.59  
 22   44  HG23   16  0.43  2.39  
 23   45  OE1    12  0.51  2.10  
 24   50  HH11   17  0.42  1.83  
 25   50  HG3    17  0.42  1.83  
 26   54  O      10  0.50  2.11  
 27   61  HG11   18  0.48  1.95  
 28   62  HG21   15  0.84  1.59  
 29   62  CG2    16  0.43  2.39  
 30   62  HG22   19  0.42  2.20  
 31   63  O      19  0.42  2.20  
 32   64  CB     20  0.44  2.48  
 33   64  HA     21  0.42  2.00  
 34   67  HD21   14  0.53  1.91  
 35   68  HD3    22  0.81  1.46  
 36   68  HD3    23  0.62  2.14  
 37   68  HG2     6  0.51  2.10  
 38   69  HG23   20  0.44  2.48  
 39   69  HA      7  0.42  2.19  
 40   72  HG23   21  0.42  2.00  
 41   75  HB1    24  0.68  1.76  
 42   78  HD23   25  0.78  1.63  
 43   78  O       9  0.60  2.02  
 44   78  C      26  0.46  2.36  
 45   78  HD12   26  0.46  2.36  
 46   83  HB2    25  0.78  1.63  
 47   83  O      27  0.42  2.20  
 48   84  OG     28  0.52  2.08  
 49   84  C      29  0.50  2.32  
 50   85  HD23   30  0.56  1.86  
 51   87  HG23   28  0.52  2.08  
 52   91  HB1    24  0.68  1.76  
 53   96  O      31  0.41  2.21  
 54  100  HG23   31  0.41  2.21  
 55  102  HD11   18  0.48  1.95  
 56  104  HG      8  0.82  1.61  
 57  105  HE3    32  0.42  1.90  
 58  105  HB2    32  0.42  1.90  
 59  107  O      33  0.40  2.21  
 60  112  HD22   34  0.67  1.59  
 61  112  HD22   35  0.55  2.22  
 62  112  H      34  0.67  1.59  
 63  112  H      36  0.48  2.24  
 64  112  N      35  0.55  2.22  
 65  112  CD2    36  0.48  2.24  
 66  116  HG11   37  0.58  1.85  
 67  119  HD23   30  0.56  1.86  
 68  119  HD21   29  0.50  2.32  
 69  119  HD11   27  0.42  2.20  
 70  120  HG2    38  0.47  1.96  
 71  121  HA     37  0.58  1.85  
 72  122  HB3    39  0.54  1.72  
 73  123  HB3    38  0.47  1.96  
 74  124  O      40  0.54  2.08  
 75  126  HH12   39  0.54  1.72  
 76  128  HG3    40  0.54  2.08  
 77  128  O      41  0.46  2.16  
 78  132  HD13   42  0.72  1.70  
 79  132  HG23   43  0.55  1.89  
 80  132  HG13   41  0.46  2.16  
 81  140  OE1     1  0.76  1.86  
 82  141  HG11   42  0.72  1.70  
 83  141  HG21   43  0.55  1.89  
 84  141  HA     33  0.40  2.21  
 85  145  HB2    44  0.46  1.97  
 86  147  HG22   45  0.60  1.66  
 87  147  HG22   46  0.59  2.18  
 88  147  CG2    47  0.44  2.48  
 89  149  H      45  0.60  1.66  
 90  149  N      46  0.59  2.18  
 91  149  HB3    47  0.44  2.48  
 92  151  HB2    44  0.46  1.97  
 93  161  O      48  0.49  2.35  
 94  164  O      49  0.49  2.12  
 95  165  HB2    49  0.49  2.12  
 96  165  N      48  0.49  2.35  
 97  168  N      50  0.49  2.28  
 98  168  HD2    50  0.49  2.28  
 99  168  HD2    51  0.49  1.77  
100  168  H      51  0.49  1.77  
101  168  HH11   52  0.43  1.82  
102  168  HG2    52  0.43  1.82  
103  169  HD11   53  0.61  1.82  
104  170  HH11   54  0.47  1.80  
105  170  HG3    54  0.47  1.80  
106  175  CG     55  0.69  2.13  
107  175  HB3    56  0.58  1.86  
108  175  OD1    57  0.52  2.09  
109  175  OD2    58  0.48  2.13  
110  176  O      59  0.43  2.18  
111  176  HG13   59  0.43  2.18  
112  177  HG22   55  0.69  2.13  
113  177  HG22   57  0.52  2.09  
114  177  HG22   58  0.48  2.13  
115  177  OG1    60  0.41  2.19  
116  178  HB2    56  0.58  1.86  
117  180  HG2    61  0.55  1.88  
118  180  HA     62  0.45  2.17  
119  182  HB3    63  0.52  1.91  
120  184  HG23   64  0.42  2.02  
121  192  HD12   65  0.52  2.09  
122  193  HA     66  0.51  1.76  
123  202  HG23   67  0.51  1.93  
124  203  O      68  0.60  2.01  
125  203  HD23   68  0.60  2.01  
126  205  HB3    69  0.44  1.99  
127  205  HD2    60  0.41  2.19  
128  211  HE22   66  0.51  1.76  
129  213  HA     70  0.56  2.20  
130  213  HA     71  0.42  1.83  
131  213  CD     72  0.43  2.40  
132  216  NH1    70  0.56  2.20  
133  216  HH11   71  0.42  1.83  
134  218  O      65  0.52  2.09  
135  227  HG12   73  0.48  2.29  
136  228  HG22   74  0.52  2.23  
137  228  N      73  0.48  2.29  
138  228  HG23   72  0.43  2.40  
139  229  N      74  0.52  2.23  
140  233  HD11   67  0.51  1.93  
141  233  HD21   69  0.44  1.99  
142  234  HB2    61  0.55  1.88  
143  234  O      62  0.45  2.17  
144  235  HG11   64  0.42  2.02  
145  241  HB1    75  0.43  1.99  
146  244  HB3    76  0.53  1.91  
147  244  C      77  0.45  2.36  
148  244  HD12   77  0.45  2.36  
149  249  HB2    76  0.53  1.91  
150  250  HA     78  0.53  1.90  
151  250  CA     79  0.50  2.41  
152  250  C      80  0.46  2.37  
153  251  HD23   81  0.77  1.64  
154  251  CD2    82  0.55  2.35  
155  257  HB1    75  0.43  1.99  
156  262  HD13   83  0.59  1.85  
157  265  HA     84  0.81  1.61  
158  265  HA     85  0.43  2.41  
159  268  HB2    86  0.62  1.80  
160  268  HB2    87  0.48  2.44  
161  270  HD23   84  0.81  1.61  
162  270  HD22   86  0.62  1.80  
163  270  HD12   63  0.52  1.91  
164  270  CD2    87  0.48  2.44  
165  270  CD2    85  0.43  2.41  
166  278  HB3    88  0.87  1.55  
167  278  HB3    89  0.72  2.19  
168  279  O      90  0.48  2.13  
169  282  HG12   88  0.87  1.55  
170  282  CG1    89  0.72  2.19  
171  282  HG13   90  0.48  2.13  
172  285  HD23   81  0.77  1.64  
173  285  HD23   82  0.55  2.35  
174  285  HD21   78  0.53  1.90  
175  285  HD21   79  0.50  2.41  
176  285  HD21   80  0.46  2.37  
177  285  HB3    91  0.52  1.90  
178  285  HD12   92  0.48  2.28  
179  285  N      92  0.48  2.28  
180  286  HD2    91  0.52  1.90  
181  286  HG2    93  0.51  1.93  
182  289  HB3    93  0.51  1.93  
183  290  O      94  0.46  2.15  
184  292  O      95  0.74  1.86  
185  294  O      96  0.56  2.04  
186  294  HG2    94  0.46  2.15  
187  296  HG3    95  0.74  1.86  
188  296  O      97  0.41  2.20  
189  298  HD13   98  0.65  1.79  
190  298  HB     53  0.61  1.82  
191  298  HG13   96  0.56  2.04  
192  300  HG3    97  0.41  2.20  
193  301  HB2    83  0.59  1.85  
194  307  HG11   98  0.65  1.79  
195  313  HG22   99  0.68  1.58  
196  313  HG22  100  0.53  2.24  
197  314  O     101  0.73  1.87  
198  316  H      99  0.68  1.58  
199  316  N     100  0.53  2.24  
200  318  HG3   101  0.73  1.87  
201  322  HH21   22  0.81  1.46  
202  322  NH2    23  0.62  2.14  
203  324  O     102  0.49  2.11  
204  327  HB3   102  0.49  2.11  
205  327  C     103  0.47  2.18  
206  329  H     103  0.47  2.18  
#
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  0.960  0.179   0.174  
  2    2  11  0.917  0.225   0.258  
  3    3   8  0.949  0.142  -0.696  
  4    4  11  0.940  0.159  -0.565  
  5    5   5  0.943  0.137  -0.434  
  6    6   7  0.933  0.144  -0.550  
  7    7   9  0.920  0.159  -0.450  
  8    8   4  0.945  0.147  -0.181  
  9    9   8  0.958  0.169  -0.126  
 10   10   8  0.978  0.116  -1.081  
 11   11   7  0.956  0.143  -0.382  
 12   12   9  0.944  0.146  -0.728  
 13   13  11  0.970  0.122  -0.875  
 14   14   9  0.937  0.161  -0.425  
 15   15   4  0.954  0.159  -0.021  
 16   16   8  0.967  0.139  -0.526  
 17   17   5  0.964  0.176   0.130  
 18   18   8  0.942  0.163  -0.385  
 19   19   7  0.944  0.171  -0.154  
 20   20   8  0.945  0.180   0.048  
 21   21   5  0.962  0.112  -0.796  
 22   22   5  0.962  0.099  -0.984  
 23   23   8  0.971  0.126  -0.694  
 24   24   8  0.978  0.124  -0.721  
 25   25  12  0.949  0.159  -0.259  
 26   26   8  0.960  0.146  -0.648  
 27   27   9  0.942  0.209  -0.131  
 28   28   8  0.912  0.165  -0.379  
 29   29   4  0.939  0.176   0.205  
 30   30   5  0.958  0.140  -0.391  
 31   31   4  0.954  0.170   0.125  
 32   32   7  0.948  0.184   0.037  
 33   33   5  0.945  0.182   0.217  
 34   34   4  0.951  0.174   0.178  
 35   35   5  0.962  0.155  -0.174  
 36   36   8  0.932  0.170  -0.281  
 37   37   8  0.941  0.174  -0.251  
 38   38  11  0.880  0.254   0.620  
 39   39   9  0.915  0.264   0.496  
 40   40   4  0.964  0.153  -0.101  
 41   41   4  0.942  0.096  -0.858  
 42   42   7  0.967  0.151  -0.229  
 43   43   6  0.982  0.165  -0.010  
 44   44   8  0.963  0.121  -1.007  
 45   45   9  0.938  0.175  -0.250  
 46   46   9  0.930  0.190  -0.199  
 47   47   9  0.935  0.226   0.235  
 48   48   6  0.977  0.106  -0.680  
 49   49   8  0.923  0.233   0.729  
 50   50  11  0.931  0.300   1.193  
 51   51   8  0.952  0.195   0.089  
 52   52   4  0.979  0.246   1.134  
 53   53   9  0.904  0.295   0.849  
 54   54   8  0.952  0.157  -0.474  
 55   55  11  0.952  0.184  -0.253  
 56   56   7  0.946  0.165  -0.242  
 57   57   4  0.981  0.130  -0.406  
 58   58   9  0.962  0.163  -0.523  
 59   59   5  0.968  0.134  -0.478  
 60   60   5  0.978  0.110  -0.825  
 61   61   7  0.969  0.108  -1.078  
 62   62   7  0.920  0.150  -0.280  
 63   63   4  0.928  0.132  -0.380  
 64   64   5  0.958  0.173   0.087  
 65   65   4  0.879  0.136  -0.327  
 66   66   8  0.935  0.202   0.350  
 67   67   8  0.948  0.148  -0.620  
 68   68   7  0.969  0.180   0.188  
 69   69   7  0.938  0.148  -0.491  
 70   70  11  0.919  0.193  -0.141  
 71   71  12  0.940  0.141  -0.534  
 72   72   7  0.946  0.135  -0.682  
 73   73   8  0.935  0.181  -0.119  
 74   74  10  0.982  0.129  -0.644  
 75   75   5  0.973  0.128  -0.564  
 76   76   5  0.977  0.109  -0.839  
 77   77   7  0.958  0.141  -0.594  
 78   78   8  0.960  0.150  -0.591  
 79   79   4  0.937  0.115  -0.606  
 80   80   8  0.962  0.175  -0.045  
 81   81   9  0.958  0.138  -0.824  
 82   82   7  0.941  0.185   0.260  
 83   83   5  0.945  0.185   0.260  
 84   84   6  0.969  0.205   0.547  
 85   85   8  0.955  0.164  -0.393  
 86   86   9  0.930  0.238   0.379  
 87   87   7  0.963  0.122  -0.688  
 88   88   7  0.962  0.153  -0.418  
 89   89  11  0.946  0.156  -0.602  
 90   90   9  0.958  0.118  -1.169  
 91   91   5  0.976  0.110  -0.825  
 92   92   7  0.969  0.136  -0.484  
 93   93   9  0.952  0.164  -0.644  
 94   94   6  0.961  0.108  -0.804  
 95   95   5  0.970  0.138  -0.420  
 96   96   8  0.935  0.234   0.600  
 97   97   9  0.946  0.168  -0.463  
 98   98   9  0.930  0.171  -0.564  
 99   99   5  0.949  0.196   0.420  
100  100   7  0.962  0.173  -0.125  
101  101   9  0.957  0.151  -0.668  
102  102   8  0.944  0.172  -0.279  
103  103   4  0.932  0.160  -0.008  
104  104   8  0.941  0.152  -0.563  
105  105   9  0.937  0.158  -0.713  
106  106   7  0.965  0.140  -0.426  
107  107   7  0.982  0.127  -0.799  
108  108   5  0.956  0.129  -0.550  
109  109  11  0.960  0.123  -0.860  
110  110   7  0.963  0.115  -0.790  
111  111   5  0.923  0.159  -0.116  
112  112   8  0.890  0.200   0.118  
113  113   4  0.956  0.118  -0.566  
114  114   5  0.925  0.156  -0.159  
115  115  14  0.871  0.183   0.156  
116  116   7  0.914  0.201   0.286  
117  117   4  0.946  0.198   0.497  
118  118   4  0.955  0.164   0.045  
119  119   8  0.940  0.235   0.614  
120  120   7  0.961  0.176   0.131  
121  121   5  0.940  0.129  -0.550  
122  122   9  0.940  0.159  -0.572  
123  123   5  0.977  0.143  -0.347  
124  124   7  0.963  0.133  -0.711  
125  125   8  0.942  0.188  -0.052  
126  126  11  0.937  0.163  -0.515  
127  127   7  0.975  0.147  -0.506  
128  128   8  0.959  0.126       ?  
129  129   8  0.960  0.166  -0.166  
130  130   9  0.958  0.151  -0.668  
131  131   9  0.968  0.119  -1.053  
132  132   8  0.976  0.094  -1.407  
133  133   9  0.920  0.205  -0.177  
134  134   9  0.956  0.166  -0.621  
135  135   5  0.977  0.135  -0.463  
136  136   7  0.966  0.152  -0.214  
137  137   8  0.943  0.133  -0.606  
138  138   7  0.967  0.127  -0.615  
139  139   8  0.929  0.170  -0.308  
140  140   9  0.931  0.219   0.150  
141  141   7  0.947  0.167  -0.213  
142  142   7  0.952  0.147  -0.324  
143  143   4  0.958  0.109  -0.685  
144  144   7  0.956  0.127  -0.799  
145  145  10  0.980  0.128  -0.658  
146  146   4  0.973  0.081  -1.057  
147  147   7  0.961  0.184   0.216  
148  148   9  0.961  0.155  -0.620  
149  149   9  0.951  0.236   0.177  
150  150   6  0.942  0.167   0.018  
151  151   5  0.975  0.123  -0.637  
152  152   9  0.846  0.253   0.560  
153  153   5  0.969  0.157  -0.145  
154  154  10  0.970  0.165  -0.129  
155  155  11  0.939  0.188  -0.203  
156  156  11  0.943  0.214   0.121  
157  157   5  0.970  0.132  -0.507  
158  158   8  0.933  0.161  -0.435  
159  159   8  0.943  0.200   0.118  
160  160   9  0.878  0.188  -0.223  
161  161  10  0.900  0.222   0.687  
162  162  10  0.911  0.234   0.858  
163  163  10  0.962  0.155  -0.272  
164  164  10  0.932  0.210   0.515  
165  165  10  0.697  0.314   2.003  
166  166  11  0.824  0.442   3.834  
167  167   5  0.948  0.141  -0.376  
168  168  11  0.848  0.282   0.969  
169  169   8  0.910  0.159  -0.444  
170  170  11  0.911  0.193  -0.141  
171  171   5  0.972  0.101  -0.955  
172  172   7  0.951  0.149  -0.477  
173  173   9  0.968  0.156  -0.488  
174  174   4  0.960  0.092  -0.911  
175  175   8  0.940  0.141  -0.499  
176  176   8  0.964  0.142  -0.696  
177  177   7  0.899  0.203   0.493  
178  178   9  0.933  0.165  -0.499  
179  179  11  0.964  0.132  -0.731  
180  180   9  0.947  0.142  -0.664  
181  181   4  0.958  0.146  -0.194  
182  182   8  0.934  0.171  -0.099  
183  183   5  0.960  0.126  -0.593  
184  184   8  0.958  0.144  -0.667  
185  185   7  0.963  0.133  -0.711  
186  186   8  0.957  0.181   0.062  
187  187   5  0.960  0.131  -0.521  
188  188   5  0.956  0.121  -0.666  
189  189   8  0.947  0.126  -0.694  
190  190   8  0.937  0.156  -0.282  
191  191  12  0.944  0.151  -0.381  
192  192   8  0.919  0.161  -0.435  
193  193   9  0.908  0.213  -0.086  
194  194   8  0.962  0.152  -0.563  
195  195   4  0.935  0.137  -0.313  
196  196   5  0.913  0.152  -0.217  
197  197   4  0.859  0.218   0.762  
198  198   7  0.962  0.145  -0.535  
199  199   5  0.925  0.195   0.405  
200  200   4  0.968  0.089  -0.951  
201  201   5  0.941  0.140  -0.391  
202  202   8  0.950  0.143  -0.681  
203  203   8  0.946  0.131  -0.861  
204  204  11  0.914  0.254   0.620  
205  205   9  0.929  0.166  -0.621  
206  206   4  0.980  0.095  -0.871  
207  207   4  0.985  0.134  -0.353  
208  208   7  0.969  0.215   0.692  
209  209   6  0.963  0.217   0.714  
210  210   8  0.947  0.143  -0.681  
211  211   9  0.938  0.185  -0.124  
212  212   9  0.918  0.283   0.921  
213  213   9  0.941  0.210   0.042  
214  214   6  0.944  0.176   0.481  
215  215   8  0.949  0.247   0.916  
216  216  11  0.936  0.317   1.405  
217  217   8  0.923  0.179  -0.148  
218  218   4  0.966  0.267   1.413  
219  219   9  0.940  0.183  -0.428  
220  220   8  0.934  0.158  -0.459  
221  221  11  0.894  0.252   0.595  
222  222   7  0.955  0.165  -0.242  
223  223   4  0.944  0.146  -0.194  
224  224   9  0.955  0.138  -0.824  
225  225   5  0.960  0.131  -0.521  
226  226   5  0.983  0.125  -0.608  
227  227   7  0.974  0.180  -0.022  
228  228   7  0.956  0.152  -0.251  
229  229   4  0.956  0.126  -0.459  
230  230   5  0.973  0.117  -0.724  
231  231   4  0.963  0.096  -0.858  
232  232   8  0.938  0.163  -0.185  
233  233   8  0.949  0.151  -0.577  
234  234   7  0.975  0.113  -0.776  
235  235   7  0.964  0.101  -1.180  
236  236  11  0.880  0.257   0.657  
237  237  12  0.958  0.148  -0.427  
238  238   7  0.971  0.141  -0.594  
239  239   8  0.940  0.165  -0.356  
240  240  10  0.965  0.138  -0.515  
241  241   5  0.955  0.140  -0.391  
242  242   5  0.973  0.125  -0.608  
243  243   7  0.913  0.210   0.418  
244  244   8  0.957  0.129  -0.889  
245  245   4  0.968  0.155  -0.074  
246  246   8  0.899  0.151  -0.366  
247  247   9  0.907  0.194  -0.150  
248  248   7  0.967  0.166  -0.013  
249  249   5  0.920  0.190   0.333  
250  250   6  0.950  0.157  -0.121  
251  251   8  0.924  0.270   1.111  
252  252   9  0.803  0.353   1.763  
253  253   7  0.967  0.134  -0.513  
254  254   7  0.942  0.106  -1.107  
255  255  11  0.937  0.161  -0.540  
256  256   9  0.942  0.197  -0.268  
257  257   5  0.965  0.161  -0.087  
258  258   7  0.960  0.119  -0.732  
259  259   9  0.963  0.120  -1.146  
260  260   6  0.958  0.117  -0.678  
261  261   5  0.953  0.160  -0.101  
262  262   8  0.950  0.153  -0.549  
263  263   9  0.874  0.193  -0.162  
264  264   9  0.933  0.164  -0.644  
265  265   5  0.970  0.124  -0.622  
266  266   7  0.929  0.197   0.227  
267  267   9  0.939  0.164  -0.511  
268  268   8  0.953  0.139  -0.748  
269  269   4  0.961  0.127  -0.446  
270  270   8  0.960  0.153  -0.549  
271  271   9  0.872  0.221   0.006  
272  272   7  0.966  0.184   0.216  
273  273   7  0.959  0.152  -0.433  
274  274   5  0.964  0.190   0.333  
275  275  11  0.958  0.152  -0.442  
276  276   7  0.914  0.182   0.187  
277  277   5  0.964  0.145  -0.318  
278  278   8  0.756  0.229   0.529  
279  279   4  0.641  0.307   1.944  
280  280   5  0.749  0.358   2.764  
281  281  14  0.811  0.248   1.134  
282  282   7  0.853  0.234   0.770  
283  283   4  0.897  0.282   1.612  
284  284   4  0.851  0.279   1.572  
285  285   8  0.902  0.329   1.948  
286  286   7  0.966  0.194   0.390  
287  287   5  0.964  0.138  -0.420  
288  288   9  0.910  0.217   0.126  
289  289   5  0.963  0.155  -0.174  
290  290   7  0.960  0.203   0.315  
291  291   8  0.930  0.128  -0.904  
292  292  11  0.907  0.256   0.645  
293  293   7  0.936  0.194   0.183  
294  294   8  0.932  0.176       ?  
295  295   8  0.952  0.139  -0.526  
296  296   9  0.945  0.131  -0.909  
297  297   9  0.937  0.126  -0.969  
298  298   8  0.976  0.114  -1.111  
299  299   9  0.919  0.199  -0.245  
300  300   9  0.934  0.145  -0.861  
301  301   5  0.967  0.138  -0.420  
302  302   7  0.955  0.157  -0.142  
303  303   8  0.929  0.148  -0.406  
304  304   7  0.961  0.121  -0.703  
305  305   8  0.938  0.182  -0.138  
306  306   9  0.949  0.159  -0.572  
307  307   7  0.974  0.111  -1.034  
308  308   7  0.949  0.144  -0.367  
309  309   4  0.950  0.190   0.390  
310  310   7  0.938  0.175  -0.095  
311  311  10  0.951  0.149  -0.358  
312  312   4  0.947  0.194   0.444  
313  313   7  0.921  0.216   0.682  
314  314   9  0.931  0.167  -0.475  
315  315   9  0.903  0.310   1.021  
316  316   6  0.957  0.138  -0.386  
317  317   5  0.965  0.147  -0.289  
318  318   9  0.941  0.159  -0.572  
319  319   5  0.924  0.240   1.056  
320  320  10  0.955  0.149  -0.358  
321  321  11  0.915  0.169  -0.440  
322  322  11  0.935  0.278   0.919  
323  323   5  0.971  0.127  -0.579  
324  324   8  0.971  0.179  -0.180  
325  325   8  0.914  0.281   1.267  
326  326   9  0.813  0.342   1.631  
327  327  10  0.689  0.411   3.391  
328  328  10  0.626  0.338   2.346  
329  329  10  0.499  0.673   7.139  
330  330  10  0.594  0.573   5.708  
331  331  10  0.373  0.609   6.223  
332  332   1  0.946  0.245       ?  
333  333   1  0.961  0.229       ?  
334  334   1  0.925  0.368       ?  
335  335   1  0.858  0.192       ?  
336  336   1  0.721  0.347       ?  
337  337   1  0.878  0.318       ?  
338  338   1  0.951  0.257       ?  
339  339   1  0.926  0.421       ?  
340  340   1  0.927  0.174       ?  
341  341   1  0.863  0.239       ?  
#
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  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
