data_1QMR

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   1QMR      
PDBE  EBI-4195  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1QMR
_pdbx_vrpt_summary.PDB_deposition_date         1999-10-06
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-12-13
_pdbx_vrpt_summary.report_creation_date        2023-12-04:22:14
_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  "MAJOR POLLEN ALLERGEN BET V 1-A"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.15  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         
#
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   36.96  141614     ?     ?  
2  2  1   31.23    1585  2.16  2.16  
3  1  2   24.89  138981     ?     ?  
4  2  2   17.63    1560  2.16  2.16  
5  1  3  100.00  138945     ?     ?  
6  2  3  100.00    1559  2.16  2.16  
7  1  4   48.56  127900     ?     ?  
8  2  4   57.62    1456  2.16  2.16  
#
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   24.89  
2  4  2  A  1  1  A   17.63  
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   48.56  
6  8  4  A  1  1  A   57.62  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.57
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.36
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1247
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1685
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.64
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     7.80
_pdbx_vrpt_summary_geometry.num_H_reduce                   1212
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1247
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.36
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1685
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.57
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 105.374
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            48.518
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         22.737
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.37(2.14A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7931
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.211
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.326
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.328
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.943
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.15
_pdbx_vrpt_summary_diffraction.EDS_res_low               37.10
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[23.119,20.304,24.912,0.000,0.000,0.000]"
_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 9.86% 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         94.94
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      0
_pdbx_vrpt_summary_diffraction.percent_free_reflections  0.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.14
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.15
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        30.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.24
#
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    1  GLY  A     1  .  ?        ?  
  2  1  1  A    2  VAL  A     2  .  ?        ?  
  3  1  1  A    3  PHE  A     3  .  ?        ?  
  4  1  1  A    4  ASN  A     4  .  ?        ?  
  5  1  1  A    5  TYR  A     5  .  ?        ?  
  6  1  1  A    6  GLU  A     6  .  ?        ?  
  7  1  1  A    7  THR  A     7  .  ?        ?  
  8  1  1  A    8  GLU  A     8  .  ?        ?  
  9  1  1  A    9  THR  A     9  .  ?        2  
 10  1  1  A   10  THR  A    10  .  ?        ?  
 11  1  1  A   11  SER  A    11  .  ?        ?  
 12  1  1  A   12  VAL  A    12  .  ?        ?  
 13  1  1  A   13  ILE  A    13  .  ?        ?  
 14  1  1  A   14  PRO  A    14  .  ?        ?  
 15  1  1  A   15  ALA  A    15  .  ?        ?  
 16  1  1  A   16  ALA  A    16  .  ?        ?  
 17  1  1  A   17  ARG  A    17  .  ?        ?  
 18  1  1  A   18  LEU  A    18  .  ?        ?  
 19  1  1  A   19  PHE  A    19  .  ?        ?  
 20  1  1  A   20  LYS  A    20  .  ?        ?  
 21  1  1  A   21  ALA  A    21  .  ?        ?  
 22  1  1  A   22  PHE  A    22  .  ?        ?  
 23  1  1  A   23  ILE  A    23  .  ?        ?  
 24  1  1  A   24  LEU  A    24  .  ?        ?  
 25  1  1  A   25  ASP  A    25  .  ?        ?  
 26  1  1  A   26  GLY  A    26  .  ?        ?  
 27  1  1  A   27  ASP  A    27  .  ?        ?  
 28  1  1  A   28  THR  A    28  .  ?        ?  
 29  1  1  A   29  LEU  A    29  .  ?        ?  
 30  1  1  A   30  PHE  A    30  .  ?        ?  
 31  1  1  A   31  PRO  A    31  .  ?        ?  
 32  1  1  A   32  GLN  A    32  .  ?        ?  
 33  1  1  A   33  VAL  A    33  .  ?        ?  
 34  1  1  A   34  ALA  A    34  .  ?        ?  
 35  1  1  A   35  PRO  A    35  .  ?        ?  
 36  1  1  A   36  GLN  A    36  .  ?        ?  
 37  1  1  A   37  ALA  A    37  .  ?        ?  
 38  1  1  A   38  ILE  A    38  .  ?        ?  
 39  1  1  A   39  SER  A    39  .  ?        ?  
 40  1  1  A   40  SER  A    40  .  ?        ?  
 41  1  1  A   41  VAL  A    41  .  ?        ?  
 42  1  1  A   42  GLU  A    42  .  ?        ?  
 43  1  1  A   43  ASN  A    43  .  ?        ?  
 44  1  1  A   44  ILE  A    44  .  ?        ?  
 45  1  1  A   45  SER  A    45  .  ?        ?  
 46  1  1  A   46  GLY  A    46  .  ?        ?  
 47  1  1  A   47  ASN  A    47  .  ?        ?  
 48  1  1  A   48  GLY  A    48  .  ?        ?  
 49  1  1  A   49  GLY  A    49  .  ?        ?  
 50  1  1  A   50  PRO  A    50  .  ?        ?  
 51  1  1  A   51  GLY  A    51  .  ?        ?  
 52  1  1  A   52  THR  A    52  .  ?        ?  
 53  1  1  A   53  ILE  A    53  .  ?        ?  
 54  1  1  A   54  LYS  A    54  .  ?        ?  
 55  1  1  A   55  LYS  A    55  .  ?        ?  
 56  1  1  A   56  ILE  A    56  .  ?        ?  
 57  1  1  A   57  SER  A    57  .  ?        ?  
 58  1  1  A   58  PHE  A    58  .  ?        1  
 59  1  1  A   59  PRO  A    59  .  ?        1  
 60  1  1  A   60  GLU  A    60  .  ?        ?  
 61  1  1  A   61  GLY  A    61  .  ?        ?  
 62  1  1  A   62  LEU  A    62  .  ?        5  
 63  1  1  A   63  PRO  A    63  .  ?        1  
 64  1  1  A   64  PHE  A    64  .  ?        1  
 65  1  1  A   65  LYS  A    65  .  ?        ?  
 66  1  1  A   66  TYR  A    66  .  ?        ?  
 67  1  1  A   67  VAL  A    67  .  ?        ?  
 68  1  1  A   68  LYS  A    68  .  ?        1  
 69  1  1  A   69  ASP  A    69  .  ?        ?  
 70  1  1  A   70  ARG  A    70  .  ?        1  
 71  1  1  A   71  VAL  A    71  .  ?        ?  
 72  1  1  A   72  ASP  A    72  .  ?        ?  
 73  1  1  A   73  GLU  A    73  .  ?        ?  
 74  1  1  A   74  VAL  A    74  .  ?        ?  
 75  1  1  A   75  ASP  A    75  .  ?        ?  
 76  1  1  A   76  HIS  A    76  .  ?        ?  
 77  1  1  A   77  THR  A    77  .  ?        ?  
 78  1  1  A   78  ASN  A    78  .  ?        ?  
 79  1  1  A   79  PHE  A    79  .  ?        ?  
 80  1  1  A   80  LYS  A    80  .  ?        ?  
 81  1  1  A   81  TYR  A    81  .  ?        ?  
 82  1  1  A   82  ASN  A    82  .  ?        ?  
 83  1  1  A   83  TYR  A    83  .  ?        ?  
 84  1  1  A   84  SER  A    84  .  ?        ?  
 85  1  1  A   85  VAL  A    85  .  ?        ?  
 86  1  1  A   86  ILE  A    86  .  ?        ?  
 87  1  1  A   87  GLU  A    87  .  ?        1  
 88  1  1  A   88  GLY  A    88  .  ?        ?  
 89  1  1  A   89  GLY  A    89  .  ?        1  
 90  1  1  A   90  PRO  A    90  .  ?        ?  
 91  1  1  A   91  ILE  A    91  .  ?        ?  
 92  1  1  A   92  GLY  A    92  .  ?        ?  
 93  1  1  A   93  ASP  A    93  .  ?        1  
 94  1  1  A   94  THR  A    94  .  ?        1  
 95  1  1  A   95  LEU  A    95  .  ?        ?  
 96  1  1  A   96  GLU  A    96  .  ?        ?  
 97  1  1  A   97  LYS  A    97  .  ?        ?  
 98  1  1  A   98  ILE  A    98  .  ?        1  
 99  1  1  A   99  SER  A    99  .  ?        ?  
100  1  1  A  100  ASN  A   100  .  ?        2  
101  1  1  A  101  GLU  A   101  .  ?        ?  
102  1  1  A  102  ILE  A   102  .  ?        ?  
103  1  1  A  103  LYS  A   103  .  ?        ?  
104  1  1  A  104  ILE  A   104  .  ?        1  
105  1  1  A  105  VAL  A   105  .  ?        ?  
106  1  1  A  106  ALA  A   106  .  ?        ?  
107  1  1  A  107  THR  A   107  .  ?        1  
108  1  1  A  108  GLY  A   108  .  ?        ?  
109  1  1  A  109  ASP  A   109  .  ?        ?  
110  1  1  A  110  GLY  A   110  .  ?        ?  
111  1  1  A  111  GLY  A   111  .  ?        ?  
112  1  1  A  112  SER  A   112  .  ?        ?  
113  1  1  A  113  ILE  A   113  .  ?        1  
114  1  1  A  114  LEU  A   114  .  ?        3  
115  1  1  A  115  LYS  A   115  .  ?        ?  
116  1  1  A  116  ILE  A   116  .  ?        ?  
117  1  1  A  117  SER  A   117  .  ?        ?  
118  1  1  A  118  ASN  A   118  .  ?        1  
119  1  1  A  119  LYS  A   119  .  ?        6  
120  1  1  A  120  TYR  A   120  .  ?        ?  
121  1  1  A  121  HIS  A   121  .  ?        ?  
122  1  1  A  122  THR  A   122  .  ?        ?  
123  1  1  A  123  LYS  A   123  .  ?        ?  
124  1  1  A  124  GLY  A   124  .  ?        ?  
125  1  1  A  125  ASP  A   125  .  ?        ?  
126  1  1  A  126  HIS  A   126  .  ?        ?  
127  1  1  A  127  GLU  A   127  .  ?        ?  
128  1  1  A  128  VAL  A   128  .  ?        ?  
129  1  1  A  129  LYS  A   129  .  ?        ?  
130  1  1  A  130  ALA  A   130  .  ?        ?  
131  1  1  A  131  GLU  A   131  .  ?        ?  
132  1  1  A  132  GLN  A   132  .  ?        ?  
133  1  1  A  133  VAL  A   133  .  ?        ?  
134  1  1  A  134  LYS  A   134  .  ?        ?  
135  1  1  A  135  ALA  A   135  .  ?        ?  
136  1  1  A  136  SER  A   136  .  ?        ?  
137  1  1  A  137  LYS  A   137  .  ?        ?  
138  1  1  A  138  GLU  A   138  .  ?        ?  
139  1  1  A  139  MET  A   139  .  ?        ?  
140  1  1  A  140  GLY  A   140  .  ?        ?  
141  1  1  A  141  GLU  A   141  .  ?        1  
142  1  1  A  142  THR  A   142  .  ?        ?  
143  1  1  A  143  LEU  A   143  .  ?        ?  
144  1  1  A  144  LEU  A   144  .  ?        ?  
145  1  1  A  145  ARG  A   145  .  ?        1  
146  1  1  A  146  ALA  A   146  .  ?        ?  
147  1  1  A  147  VAL  A   147  .  ?        ?  
148  1  1  A  148  GLU  A   148  .  ?        ?  
149  1  1  A  149  SER  A   149  .  ?        ?  
150  1  1  A  150  TYR  A   150  .  ?        ?  
151  1  1  A  151  LEU  A   151  .  ?        ?  
152  1  1  A  152  LEU  A   152  .  ?        ?  
153  1  1  A  153  ALA  A   153  .  ?        ?  
154  1  1  A  154  HIS  A   154  .  ?        ?  
155  1  1  A  155  SER  A   155  .  ?        1  
156  1  1  A  156  ASP  A   156  .  ?        ?  
157  1  1  A  157  ALA  A   157  .  ?        ?  
158  1  1  A  158  TYR  A   158  .  ?        ?  
159  1  1  A  159  ASN  A   159  .  ?        1  
160  1  2  B    .  HOH  A  2001  .  ?        ?  
161  1  2  B    .  HOH  A  2002  .  ?        ?  
162  1  2  B    .  HOH  A  2003  .  ?        ?  
163  1  2  B    .  HOH  A  2004  .  ?        ?  
164  1  2  B    .  HOH  A  2005  .  ?        ?  
165  1  2  B    .  HOH  A  2006  .  ?        ?  
166  1  2  B    .  HOH  A  2007  .  ?        ?  
167  1  2  B    .  HOH  A  2008  .  ?        ?  
168  1  2  B    .  HOH  A  2009  .  ?        ?  
169  1  2  B    .  HOH  A  2010  .  ?        ?  
170  1  2  B    .  HOH  A  2011  .  ?        ?  
171  1  2  B    .  HOH  A  2012  .  ?        ?  
172  1  2  B    .  HOH  A  2013  .  ?        ?  
173  1  2  B    .  HOH  A  2014  .  ?        ?  
174  1  2  B    .  HOH  A  2015  .  ?        ?  
175  1  2  B    .  HOH  A  2016  .  ?        ?  
176  1  2  B    .  HOH  A  2017  .  ?        ?  
177  1  2  B    .  HOH  A  2018  .  ?        ?  
178  1  2  B    .  HOH  A  2019  .  ?        ?  
179  1  2  B    .  HOH  A  2020  .  ?        ?  
180  1  2  B    .  HOH  A  2021  .  ?        ?  
181  1  2  B    .  HOH  A  2022  .  ?        1  
182  1  2  B    .  HOH  A  2023  .  ?        ?  
183  1  2  B    .  HOH  A  2024  .  ?        ?  
184  1  2  B    .  HOH  A  2025  .  ?        ?  
185  1  2  B    .  HOH  A  2026  .  ?        ?  
186  1  2  B    .  HOH  A  2027  .  ?        ?  
187  1  2  B    .  HOH  A  2028  .  ?        ?  
188  1  2  B    .  HOH  A  2029  .  ?        ?  
189  1  2  B    .  HOH  A  2030  .  ?        ?  
190  1  2  B    .  HOH  A  2031  .  ?        ?  
191  1  2  B    .  HOH  A  2032  .  ?        ?  
192  1  2  B    .  HOH  A  2033  .  ?        ?  
193  1  2  B    .  HOH  A  2034  .  ?        ?  
194  1  2  B    .  HOH  A  2035  .  ?        ?  
195  1  2  B    .  HOH  A  2036  .  ?        ?  
196  1  2  B    .  HOH  A  2037  .  ?        ?  
197  1  2  B    .  HOH  A  2038  .  ?        ?  
198  1  2  B    .  HOH  A  2039  .  ?        ?  
199  1  2  B    .  HOH  A  2040  .  ?        ?  
200  1  2  B    .  HOH  A  2041  .  ?        ?  
201  1  2  B    .  HOH  A  2042  .  ?        ?  
202  1  2  B    .  HOH  A  2043  .  ?        ?  
203  1  2  B    .  HOH  A  2044  .  ?        ?  
204  1  2  B    .  HOH  A  2045  .  ?        ?  
205  1  2  B    .  HOH  A  2046  .  ?        ?  
#
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  ?             ?       ?  ?           ?     5  21.190     4  1.06     5  0.39  molprobity  1.000  
  2    2  t        -123.2   119.0  Favored     ?     9  21.710     7  0.37    10  0.60  molprobity  1.000  
  3    3  m-85     -118.5   127.4  Favored     ?     9  21.880    12  0.72    16  0.36  molprobity  1.000  
  4    4  t-20     -108.7   129.7  Favored     ?     6  24.540     8  0.38    11  0.39  molprobity  1.000  
  5    5  m-85     -125.4   123.8  Favored     ?     9  22.730    13  0.39    18  0.55  molprobity  1.000  
  6    6  mt-10    -114.9   151.5  Favored     ?     6  29.870     9  0.32    12  0.42  molprobity  1.000  
  7    7  t        -154.2   164.8  Favored     ?     7  25.310     7  0.43    10  0.40  molprobity  1.000  
  8    8  mt-10    -134.1   144.1  Favored     ?     6  33.460     9  0.40    12  0.36  molprobity  1.000  
  9    9  t        -135.4   145.6  Favored     ?     7  26.940     7  0.36    10  0.60  molprobity  1.000  
 10   10  m         -99.8   147.9  Favored     ?     7  24.090     7  0.30    10  0.62  molprobity  1.000  
 11   11  t        -137.4   146.6  Favored     ?     5  17.160     6  0.34     8  0.44  molprobity  1.000  
 12   12  p         -87.8    -8.7  Favored     ?     9  16.900     7  0.34    10  0.39  molprobity  1.000  
 13   13  mm        -83.7   135.3  Favored     ?    11  14.430     8  0.39    12  0.81  molprobity  1.000  
 14   14  Cg_endo   -62.0   148.6  Favored     ?     7  15.860     8  0.39    11  0.58  molprobity  1.000  
 15   15  ?         -48.7   -52.3  Favored     ?     5  14.980     5  0.36     7  1.03  molprobity  1.000  
 16   16  ?         -57.2   -49.6  Favored     ?     5  15.630     5  0.26     7  0.23  molprobity  1.000  
 17   17  ttt180    -63.2   -43.0  Favored     ?    13  14.820    11  0.37    14  0.42  molprobity  1.000  
 18   18  tp        -65.4   -38.7  Favored     ?    11  13.040     8  0.40    11  0.44  molprobity  1.000  
 19   19  t80       -61.3   -45.2  Favored     ?     9  17.970    12  0.59    16  0.22  molprobity  1.000  
 20   20  mttt      -60.5   -48.0  Favored     ?    13  24.290     9  0.21    11  0.50  molprobity  1.000  
 21   21  ?         -74.2   -58.2  Favored     ?     5  15.670     5  0.35     7  0.74  molprobity  1.000  
 22   22  t80       -70.0   -38.3  Favored     ?     9  18.320    12  0.54    16  0.58  molprobity  1.000  
 23   23  mm        -96.4   -61.9  Favored     ?    11  16.510     8  0.30    11  0.60  molprobity  1.000  
 24   24  mt        -63.3   -43.6  Favored     ?    11  18.130     8  0.25    11  0.59  molprobity  1.000  
 25   25  m-20     -104.5    22.3  Favored     ?     4  17.490     8  0.31    11  0.88  molprobity  1.000  
 26   26  ?         -60.5   -31.9  Favored     ?     3  19.500     4  0.25     5  0.47  molprobity  1.000  
 27   27  m-20      -58.9   -37.0  Favored     ?     4  28.290     8  0.21    11  0.59  molprobity  1.000  
 28   28  p         -91.5   -32.5  Favored     ?     7  25.330     7  0.49    10  0.71  molprobity  1.000  
 29   29  mt        -82.5   -42.4  Favored     ?    11  18.460     8  0.31    11  0.94  molprobity  1.000  
 30   30  m-30      -48.9   -55.5  Favored     ?     9  19.580    12  0.47    17  0.48  molprobity  1.000  
 31   31  Cg_endo   -59.2   -22.4  Favored     ?     7  22.540     8  0.21    11  0.49  molprobity  1.000  
 32   32  mt-30     -87.1   -52.3  Favored     ?     8  30.510     9  0.32    12  0.55  molprobity  1.000  
 33   33  m         -80.5   -21.9  Favored     ?     9  20.090     7  0.20    10  0.86  molprobity  1.000  
 34   34  ?        -133.2    60.6  Favored     ?     5  19.590     5  0.23     8  0.39  molprobity  1.000  
 35   35  Cg_endo   -58.2   -22.9  Favored     ?     7  22.080     8  0.19    11  0.57  molprobity  1.000  
 36   36  mt-30     -77.3   -21.6  Favored     ?     8  27.960     9  0.29    12  0.44  molprobity  1.000  
 37   37  ?        -101.1   -45.4  Favored     ?     5  22.230     5  0.17     7  0.51  molprobity  1.000  
 38   38  mm       -123.8   125.5  Favored     ?    11  21.630     8  0.21    11  0.72  molprobity  1.000  
 39   39  p         -86.9   -39.2  Favored     ?     5  24.160     6  0.34     8  0.21  molprobity  1.000  
 40   40  p        -166.8   156.0  Favored     ?     5  21.420     6  0.23     8  0.72  molprobity  1.000  
 41   41  t        -126.4   122.9  Favored     ?     9  21.110     7  0.28    10  0.66  molprobity  1.000  
 42   42  mt-10    -119.1   128.6  Favored     ?     6  23.710     9  0.42    12  0.81  molprobity  1.000  
 43   43  t30       -74.3   134.9  Favored     ?     6  31.220     8  0.27    11  0.61  molprobity  1.000  
 44   44  mm       -108.9   -27.6  Favored     ?    11  28.620     8  0.18    11  0.64  molprobity  1.000  
 45   45  t        -168.9   151.9  Favored     ?     5  31.660     6  0.23     8  0.46  molprobity  1.000  
 46   46  ?          81.7   170.1  Favored     ?     3  31.930     4  0.25     5  0.34  molprobity  1.000  
 47   47  p30      -110.6    10.3  Favored     ?     6  37.570     8  0.22    11  0.68  molprobity  1.000  
 48   48  ?         129.6   -23.4  Favored     ?     3  31.770     4  0.17     5  0.53  molprobity  1.000  
 49   49  ?         -88.6  -167.7  Favored     ?     3  30.350     4  0.26     6  0.60  molprobity  1.000  
 50   50  Cg_exo    -50.0   131.7  Favored     ?     7  28.230     8  0.15    11  0.62  molprobity  1.000  
 51   51  ?          98.0   -17.9  Favored     ?     3  22.710     4  0.43     5  0.19  molprobity  1.000  
 52   52  m         -59.4   134.1  Favored     ?     7  20.500     7  0.32    10  0.65  molprobity  1.000  
 53   53  mm       -113.8   131.6  Favored     ?    11  20.480     8  0.29    11  0.80  molprobity  1.000  
 54   54  mttt     -126.2   151.3  Favored     ?    13  26.040     9  0.29    11  0.49  molprobity  1.000  
 55   55  tttt     -115.5   121.9  Favored     ?    13  20.540     9  0.21    11  0.56  molprobity  1.000  
 56   56  mt       -108.2   125.4  Favored     ?    11  18.840     8  0.32    11  0.51  molprobity  1.000  
 57   57  m        -107.6   143.4  Favored     ?     5  19.130     6  0.30     8  0.34  molprobity  1.000  
 58   58  m-85     -110.0   141.8  Favored     ?     9  20.820    12  0.57    17  0.36  molprobity  1.000  
 59   59  Cg_endo   -57.1   148.5  Favored     ?     7  29.810     8  0.22    11  0.72  molprobity  1.000  
 60   60  mm-40     -66.8   122.9  Favored     ?     6  50.000     9  0.39    12  0.70  molprobity  1.000  
 61   61  ?         142.4   -19.2  Favored     ?     3  42.580     4  0.31     5  1.16  molprobity  1.000  
 62   62  mp        -85.5   160.4  Favored     ?    11  42.840     8  0.26    12  0.66  molprobity  1.000  
 63   63  Cg_endo   -62.9   -24.1  Favored     ?     7  37.280     8  0.18    11  0.64  molprobity  1.000  
 64   64  m-85     -120.5   150.8  Favored     ?     9  32.670    12  0.64    16  0.47  molprobity  1.000  
 65   65  tttt      -83.9   -42.0  Favored     ?    13  33.980     9  0.28    11  0.41  molprobity  1.000  
 66   66  p90      -166.1   167.3  Favored     ?     9  19.990    13  0.24    18  0.59  molprobity  1.000  
 67   67  m        -143.3   150.5  Favored     ?     9  18.120     7  0.41    10  1.05  molprobity  1.000  
 68   68  mttt     -109.8   127.3  Favored     ?    13  20.390     9  0.36    11  0.60  molprobity  1.000  
 69   69  m-20     -114.0   147.2  Favored     ?     4  21.780     8  0.29    11  0.74  molprobity  1.000  
 70   70  ttm180   -118.5   131.5  Favored     ?    13  19.360    11  0.27    14  0.62  molprobity  1.000  
 71   71  t         -78.6   124.2  Favored     ?     9  15.530     7  0.45    10  0.72  molprobity  1.000  
 72   72  m-20      -98.5   -37.2  Favored     ?     4  16.830     8  0.18    11  0.28  molprobity  1.000  
 73   73  tt0      -163.2   143.1  Favored     ?     6  22.840     9  0.34    12  0.58  molprobity  1.000  
 74   74  t        -130.3   106.5  Favored     ?     9  21.220     7  0.32    10  0.89  molprobity  1.000  
 75   75  t0       -105.8    93.3  Favored     ?     4  26.270     8  0.24    11  0.54  molprobity  1.000  
 76   76  m-70      -62.0   -26.8  Favored     ?     7  33.740    11  0.14    15  0.43  molprobity  1.000  
 77   77  m         -72.8   -46.7  Favored     ?     7  27.310     7  0.30    10  0.70  molprobity  1.000  
 78   78  m-80     -102.3    13.5  Favored     ?     6  26.930     8  0.45    11  0.45  molprobity  1.000  
 79   79  m-85       48.7    51.3  Favored     ?     9  24.530    12  0.59    16  0.27  molprobity  1.000  
 80   80  ttpp     -116.6   141.3  Favored     ?    13  25.140     9  0.31    11  0.33  molprobity  1.000  
 81   81  t80      -138.3   125.4  Favored     ?     9  21.110    13  0.40    18  0.33  molprobity  1.000  
 82   82  m120     -122.9   133.3  Favored     ?     6  16.410     8  0.36    11  0.38  molprobity  1.000  
 83   83  p90      -153.1   157.0  Favored     ?     9  17.590    13  0.40    18  0.38  molprobity  1.000  
 84   84  m        -123.0   147.7  Favored     ?     5  12.130     6  0.45     8  0.50  molprobity  1.000  
 85   85  t         -98.0   119.3  Favored     ?     9  12.280     7  0.43    10  1.37  molprobity  1.000  
 86   86  pt       -120.1    -8.0  Favored     ?    11  14.910     8  0.29    11  1.04  molprobity  1.000  
 87   87  tt0      -157.8   151.2  Favored     ?     6  12.410     9  0.37    12  0.39  molprobity  1.000  
 88   88  ?          73.3  -175.2  Favored     ?     3  14.570     4  0.39     5  0.35  molprobity  1.000  
 89   89  ?          57.5  -126.5  Favored     ?     3  16.230     4  0.34     6  0.72  molprobity  1.000  
 90   90  Cg_endo   -82.4    -6.3  Favored     ?     7  16.950     8  0.22    11  0.47  molprobity  1.000  
 91   91  mm        -68.0   121.5  Favored     ?    11  18.140     8  0.28    11  0.67  molprobity  1.000  
 92   92  ?         152.9   164.4  Favored     ?     3  21.090     4  0.45     5  1.03  molprobity  1.000  
 93   93  p-10       43.5   -84.2  OUTLIER     ?     4  33.660     8  0.21    11  0.71  molprobity  1.000  
 94   94  p        -107.6    -1.7  Favored     ?     7  20.450     7  0.63    10  1.04  molprobity  1.000  
 95   95  tp       -114.6   115.6  Favored     ?    11  15.220     8  0.23    11  0.46  molprobity  1.000  
 96   96  tm-20     -83.1   -40.8  Favored     ?     6  15.930     9  0.43    12  0.56  molprobity  1.000  
 97   97  pttt     -171.3   165.1  Favored     ?    13  21.280     9  0.43    11  0.51  molprobity  1.000  
 98   98  mt       -127.1   119.2  Favored     ?    11  13.770     8  0.34    11  0.77  molprobity  1.000  
 99   99  m        -100.0   132.6  Favored     ?     5  15.210     6  0.49     8  0.80  molprobity  1.000  
100  100  m120     -127.7   146.8  Favored     1     6  18.170     8  0.47    11  0.51  molprobity  1.000  
101  101  tt0      -132.1   132.1  Favored     ?     6  22.870     9  0.48    12  0.61  molprobity  1.000  
102  102  mt       -123.4   127.8  Favored     ?    11  19.930     8  0.36    11  0.67  molprobity  1.000  
103  103  tttt     -127.6   128.0  Favored     ?    13  28.740     9  0.39    11  0.55  molprobity  1.000  
104  104  mt       -105.0   124.9  Favored     ?    11  20.210     8  0.35    11  0.54  molprobity  1.000  
105  105  t        -121.5   139.8  Favored     ?     9  24.510     7  0.37    10  0.58  molprobity  1.000  
106  106  ?         -78.0   144.4  Favored     ?     5  24.990     5  0.36     7  0.29  molprobity  1.000  
107  107  p        -110.7   164.5  Favored     ?     7  26.490     7  0.33    10  0.73  molprobity  1.000  
108  108  ?         -60.6   -32.1  Favored     ?     3  26.660     4  0.28     5  0.64  molprobity  1.000  
109  109  p-10      -79.7     4.5  Favored     ?     4  25.370     8  0.13    11  0.57  molprobity  1.000  
110  110  ?          97.1    -6.5  Favored     ?     3  21.770     4  0.35     5  0.56  molprobity  1.000  
111  111  ?         -93.2  -151.7  Favored     ?     3  19.300     4  0.31     5  0.50  molprobity  1.000  
112  112  p        -152.4   168.8  Favored     ?     5  19.730     6  0.40     8  0.54  molprobity  1.000  
113  113  mm       -130.8   138.8  Favored     ?    11  24.530     8  0.36    11  0.79  molprobity  1.000  
114  114  mp       -109.9   115.8  Favored     ?    11  23.550     8  0.25    11  0.57  molprobity  1.000  
115  115  mttp      -93.7   118.3  Favored     ?    13  29.300     9  0.28    11  0.77  molprobity  1.000  
116  116  mt       -115.1   135.1  Favored     ?    11  23.310     8  0.27    11  0.71  molprobity  1.000  
117  117  t        -134.1   128.8  Favored     ?     5  21.890     6  0.34     8  0.32  molprobity  1.000  
118  118  m-20     -121.6   121.4  Favored     1     6  23.800     8  0.24    11  0.56  molprobity  1.000  
119  119  ttmp?    -111.7   119.0  Favored     ?    13  26.890     9  0.34    11  0.32  molprobity  1.000  
120  120  m-85      -98.2   129.6  Favored     ?     9  14.420    13  0.22    18  0.48  molprobity  1.000  
121  121  t-160    -103.7   110.9  Favored     ?     7  18.560    11  0.32    15  0.89  molprobity  1.000  
122  122  p        -112.2   167.4  Favored     ?     7  16.130     7  0.36    10  0.74  molprobity  1.000  
123  123  tttt      -79.2   130.1  Favored     ?    13  28.220     9  0.25    11  0.44  molprobity  1.000  
124  124  ?          45.3  -123.0  Favored     ?     3  24.280     4  0.18     5  0.58  molprobity  1.000  
125  125  m-20      -97.6     6.3  Favored     ?     4  31.820     8  0.26    11  0.47  molprobity  1.000  
126  126  m-70      -62.9   139.8  Favored     ?     7  27.880    11  0.21    15  0.25  molprobity  1.000  
127  127  mt-10    -111.1   166.9  Favored     ?     6  27.850     9  0.29    12  0.39  molprobity  1.000  
128  128  m         -98.8   149.7  Favored     ?     9  20.920     7  0.54    10  0.61  molprobity  1.000  
129  129  mtmt      -72.8   152.4  Favored     ?    13  27.940     9  0.41    11  0.35  molprobity  1.000  
130  130  ?         -64.3   -35.2  Favored     ?     5  15.430     5  0.21     7  0.24  molprobity  1.000  
131  131  mm-40     -60.1   -40.5  Favored     ?     6  21.270     9  0.26    12  0.32  molprobity  1.000  
132  132  tp60      -61.1   -39.2  Favored     ?     8  26.660     9  0.42    12  0.39  molprobity  1.000  
133  133  t         -71.6   -40.8  Favored     ?     9  20.290     7  0.26    10  0.50  molprobity  1.000  
134  134  tttt      -64.3   -49.2  Favored     ?    13  26.650     9  0.27    11  0.24  molprobity  1.000  
135  135  ?         -54.9   -39.4  Favored     ?     5  20.980     5  0.32     7  0.29  molprobity  1.000  
136  136  t         -62.4   -46.8  Favored     ?     5  23.300     6  0.23     8  0.25  molprobity  1.000  
137  137  mttm      -65.8   -37.6  Favored     ?    13  30.320     9  0.37    11  0.40  molprobity  1.000  
138  138  mt-10     -67.2   -39.3  Favored     ?     6  32.990     9  0.27    12  0.40  molprobity  1.000  
139  139  ttm       -65.6   -42.6  Favored     ?     9  31.350     8  0.46    10  0.57  molprobity  1.000  
140  140  ?         -56.2   -48.2  Favored     ?     3  23.580     4  0.28     5  0.65  molprobity  1.000  
141  141  mm-40     -61.6   -46.2  Favored     ?     6  34.300     9  0.28    12  0.47  molprobity  1.000  
142  142  m         -57.0   -45.1  Favored     ?     7  20.620     7  0.35    10  0.39  molprobity  1.000  
143  143  mt        -65.4   -45.4  Favored     ?    11  18.280     8  0.23    11  0.52  molprobity  1.000  
144  144  tp        -58.2   -44.4  Favored     ?    11  17.570     8  0.27    11  0.49  molprobity  1.000  
145  145  mmp_?     -63.1   -40.1  Favored     ?    13  32.120    11  0.20    14  0.47  molprobity  1.000  
146  146  ?         -63.2   -48.4  Favored     ?     5  15.310     5  0.26     7  0.18  molprobity  1.000  
147  147  t         -62.9   -41.5  Favored     ?     9  10.880     7  0.42    10  0.64  molprobity  1.000  
148  148  tt0       -60.9   -42.7  Favored     ?     6  18.390     9  0.63    12  0.63  molprobity  1.000  
149  149  t         -65.2   -41.6  Favored     ?     5  15.540     6  0.39     8  0.37  molprobity  1.000  
150  150  t80       -61.4   -42.5  Favored     ?     9  15.980    13  0.47    18  0.34  molprobity  1.000  
151  151  mt        -66.2   -38.2  Favored     ?    11  12.940     8  0.27    11  0.53  molprobity  1.000  
152  152  mt        -71.5   -24.6  Favored     ?    11  15.190     8  0.29    11  0.42  molprobity  1.000  
153  153  ?         -88.2   -14.1  Favored     ?     5  12.680     5  0.55     7  0.12  molprobity  1.000  
154  154  m80      -135.2    83.1  Allowed     ?     7  19.260    11  0.21    15  0.40  molprobity  1.000  
155  155  p         -62.7   -17.7  Favored     ?     5  17.880     6  0.30     8  0.61  molprobity  1.000  
156  156  p-10      -93.0    -1.5  Favored     ?     4  27.750     8  0.18    11  0.27  molprobity  1.000  
157  157  ?         -87.9   133.7  Favored     ?     5  22.550     5  0.18     7  0.38  molprobity  1.000  
158  158  m-85       60.6    49.2  Favored     ?     9  19.590    13  0.34    18  0.50  molprobity  1.000  
159  159  p30           ?       ?  ?           ?     6  38.820     8  0.61     8  0.61  molprobity  1.000  
160  160  ?             ?       ?  ?           ?     ?  35.890     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?  32.960     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?  35.080     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?  35.720     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?  50.290     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?  59.070     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?  26.390     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?  24.490     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?  23.600     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?  23.880     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?  42.030     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?  51.430     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?  37.010     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?  28.240     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?  40.960     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?  32.940     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?  45.430     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?  46.510     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?  19.280     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?     ?  46.960     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?     ?  44.870     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?     ?  48.590     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?     ?  29.690     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?     ?  29.530     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?     ?  34.330     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?     ?  37.700     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?     ?  31.170     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?     ?  18.060     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?     ?  36.820     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?     ?  31.320     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?     ?  30.140     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?     ?  32.270     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?     ?  28.680     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?     ?  34.830     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?     ?  42.640     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?     ?  23.710     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?     ?  39.600     ?     ?     ?     ?  ?           1.000  
197  197  ?             ?       ?  ?           ?     ?  35.390     ?     ?     ?     ?  ?           1.000  
198  198  ?             ?       ?  ?           ?     ?  39.740     ?     ?     ?     ?  ?           1.000  
199  199  ?             ?       ?  ?           ?     ?  33.360     ?     ?     ?     ?  ?           1.000  
200  200  ?             ?       ?  ?           ?     ?  39.990     ?     ?     ?     ?  ?           1.000  
201  201  ?             ?       ?  ?           ?     ?  13.610     ?     ?     ?     ?  ?           1.000  
202  202  ?             ?       ?  ?           ?     ?  42.710     ?     ?     ?     ?  ?           1.000  
203  203  ?             ?       ?  ?           ?     ?  37.000     ?     ?     ?     ?  ?           1.000  
204  204  ?             ?       ?  ?           ?     ?  43.640     ?     ?     ?     ?  ?           1.000  
205  205  ?             ?       ?  ?           ?     ?  31.090     ?     ?     ?     ?  ?           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    9  HG23   1  0.55  1.89  
 2    9  CG2    2  0.43  2.49  
 3   58  HB3    3  0.59  1.84  
 4   59  O      4  0.45  2.17  
 5   62  HD22   3  0.59  1.84  
 6   62  HB3    5  0.48  1.96  
 7   62  HD12   6  0.45  2.30  
 8   62  N      6  0.45  2.30  
 9   62  HD13   4  0.45  2.17  
10   63  HD2    5  0.48  1.96  
11   64  CG     7  0.48  2.49  
12   68  HB2    8  0.40  2.04  
13   70  NH2    9  0.53  2.31  
14   87  HB3    8  0.40  2.04  
15   89  HA2    7  0.48  2.49  
16   93  CG    10  0.41  2.23  
17   94  H     10  0.41  2.23  
18   98  HG22  11  0.45  1.81  
19  100  HD22  12  0.50  1.76  
20  100  HD21  11  0.45  1.81  
21  104  HG12  13  0.42  2.02  
22  107  CG2   14  0.48  2.43  
23  113  HG12  14  0.48  2.43  
24  114  HB2    1  0.55  1.89  
25  114  HB2    2  0.43  2.49  
26  114  HG    13  0.42  2.02  
27  118  HA    12  0.50  1.76  
28  119  HB2   15  0.70  2.05  
29  119  HB2   16  0.62  1.62  
30  119  NZ    15  0.70  2.05  
31  119  NZ    17  0.46  2.77  
32  119  HZ2   16  0.62  1.62  
33  119  CB    17  0.46  2.77  
34  141  CD    18  0.51  2.14  
35  145  HH12  18  0.51  2.14  
36  155  O     19  0.41  2.42  
37  159  ND2   19  0.41  2.42  
38  181  O      9  0.53  2.31  
#
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   4  0.961  0.125   0.164  
  2    2   7  0.945  0.136   0.248  
  3    3  11  0.926  0.130   0.200  
  4    4   8  0.896  0.196   1.063  
  5    5  12  0.949  0.140   0.471  
  6    6   9  0.908  0.158   0.024  
  7    7   7  0.935  0.120   0.009  
  8    8   9  0.857  0.184   0.378  
  9    9   7  0.915  0.162   0.786  
 10   10   7  0.957  0.096  -0.434  
 11   11   6  0.973  0.101  -0.361  
 12   12   7  0.978  0.076  -0.962  
 13   13   8  0.971  0.097  -0.637  
 14   14   7  0.976  0.070  -0.844  
 15   15   5  0.978  0.082  -0.634  
 16   16   5  0.984  0.086  -0.559  
 17   17  11  0.963  0.106  -0.612  
 18   18   8  0.984  0.087  -0.837  
 19   19  11  0.977  0.093  -0.564  
 20   20   9  0.960  0.123  -0.533  
 21   21   5  0.978  0.091  -0.467  
 22   22  11  0.949  0.134   0.283  
 23   23   8  0.977  0.103  -0.514  
 24   24   8  0.970  0.105  -0.474  
 25   25   8  0.979  0.108  -0.373  
 26   26   4  0.972  0.106  -0.157  
 27   27   8  0.858  0.184   0.784  
 28   28   7  0.914  0.145   0.471  
 29   29   8  0.963  0.099  -0.595  
 30   30  11  0.963  0.105  -0.316  
 31   31   7  0.951  0.093  -0.441  
 32   32   9  0.881  0.175   0.473  
 33   33   7  0.945  0.120  -0.075  
 34   34   5  0.963  0.095  -0.392  
 35   35   7  0.959  0.115  -0.056  
 36   36   9  0.903  0.168   0.369  
 37   37   5  0.930  0.122   0.110  
 38   38   8  0.951  0.125  -0.064  
 39   39   6  0.919  0.137   0.255  
 40   40   6  0.929  0.128   0.101  
 41   41   7  0.959  0.119  -0.095  
 42   42   9  0.905  0.145  -0.152  
 43   43   8  0.901  0.207   1.238  
 44   44   8  0.930  0.144   0.326  
 45   45   6  0.864  0.175   0.904  
 46   46   4  0.843  0.196   1.361  
 47   47   8  0.866  0.194   1.032  
 48   48   4  0.913  0.136   0.349  
 49   49   4  0.902  0.106  -0.157  
 50   50   7  0.939  0.107  -0.196  
 51   51   4  0.975  0.124   0.147  
 52   52   7  0.977  0.110  -0.176  
 53   53   8  0.955  0.112  -0.330  
 54   54   9  0.944  0.158  -0.053  
 55   55   9  0.970  0.114  -0.656  
 56   56   8  0.945  0.146   0.367  
 57   57   6  0.968  0.110  -0.207  
 58   58  11  0.963  0.091  -0.605  
 59   59   7  0.959  0.111  -0.126  
 60   60   9  0.778  0.429   3.707  
 61   61   4  0.834  0.307   3.233  
 62   62   8  0.785  0.229   2.026  
 63   63   7  0.923  0.217   1.730  
 64   64  11  0.924  0.152   0.655  
 65   65   9  0.896  0.179   0.234  
 66   66  12  0.974  0.100  -0.374  
 67   67   7  0.957  0.135   0.228  
 68   68   9  0.960  0.126  -0.492  
 69   69   8  0.945  0.135   0.038  
 70   70  11  0.930  0.129  -0.272  
 71   71   7  0.965  0.108  -0.317  
 72   72   8  0.954  0.096  -0.556  
 73   73   9  0.948  0.123  -0.451  
 74   74   7  0.949  0.116  -0.155  
 75   75   8  0.931  0.123  -0.145  
 76   76  10  0.850  0.154   0.501  
 77   77   7  0.953  0.112  -0.139  
 78   78   8  0.936  0.152   0.365  
 79   79  11  0.948  0.118  -0.048  
 80   80   9  0.953  0.110  -0.711  
 81   81  12  0.958  0.109  -0.184  
 82   82   8  0.966  0.087  -0.667  
 83   83  12  0.975  0.102  -0.332  
 84   84   6  0.977  0.095  -0.463  
 85   85   7  0.971  0.087  -0.740  
 86   86   8  0.974  0.095  -0.678  
 87   87   9  0.981  0.097  -0.804  
 88   88   4  0.978  0.078  -0.629  
 89   89   4  0.983  0.062  -0.899  
 90   90   7  0.957  0.098  -0.354  
 91   91   8  0.938  0.114  -0.289  
 92   92   4  0.935  0.126   0.180  
 93   93   8  0.886  0.334   3.067  
 94   94   7  0.966  0.116  -0.065  
 95   95   8  0.966  0.122  -0.131  
 96   96   9  0.970  0.108  -0.655  
 97   97   9  0.935  0.134  -0.382  
 98   98   8  0.982  0.087  -0.842  
 99   99   6  0.962  0.098  -0.412  
100  100   8  0.967  0.094  -0.556  
101  101   9  0.938  0.129  -0.370  
102  102   8  0.949  0.119  -0.186  
103  103   9  0.940  0.162   0.001  
104  104   8  0.969  0.089  -0.801  
105  105   7  0.925  0.118  -0.115  
106  106   5  0.943  0.117   0.017  
107  107   7  0.944  0.086  -0.619  
108  108   4  0.947  0.114  -0.022  
109  109   8  0.921  0.113  -0.297  
110  110   4  0.917  0.146   0.518  
111  111   4  0.938  0.097  -0.309  
112  112   6  0.957  0.099  -0.395  
113  113   8  0.940  0.158   0.613  
114  114   8  0.932  0.136   0.151  
115  115   9  0.944  0.156  -0.081  
116  116   8  0.962  0.097  -0.637  
117  117   6  0.936  0.105  -0.292  
118  118   8  0.928  0.139   0.159  
119  119   9  0.939  0.179   0.234  
120  120  12  0.979  0.095  -0.480  
121  121  10  0.930  0.122  -0.035  
122  122   7  0.945  0.108  -0.213  
123  123   9  0.949  0.148  -0.190  
124  124   4  0.940  0.105  -0.174  
125  125   8  0.876  0.225   1.408  
126  126  10  0.939  0.163   0.652  
127  127   9  0.954  0.134  -0.302  
128  128   7  0.937  0.135   0.228  
129  129   9  0.932  0.211   0.673  
130  130   5  0.986  0.091  -0.467  
131  131   9  0.959  0.109  -0.641  
132  132   9  0.901  0.179   0.533  
133  133   7  0.908  0.141   0.349  
134  134   9  0.945  0.125  -0.505  
135  135   5  0.955  0.134   0.333  
136  136   6  0.952  0.138   0.272  
137  137   9  0.899  0.224   0.851  
138  138   9  0.892  0.192   0.486  
139  139   8  0.915  0.129   0.119  
140  140   4  0.980  0.123   0.130  
141  141   9  0.903  0.195   0.527  
142  142   7  0.962  0.087  -0.601  
143  143   8  0.970  0.114  -0.292  
144  144   8  0.972  0.106  -0.454  
145  145  11  0.902  0.195   0.703  
146  146   5  0.977  0.094  -0.411  
147  147   7  0.986  0.076  -0.962  
148  148   9  0.941  0.136  -0.274  
149  149   6  0.963  0.111  -0.190  
150  150  12  0.959  0.093  -0.522  
151  151   8  0.986  0.087  -0.837  
152  152   8  0.976  0.086  -0.857  
153  153   5  0.979  0.098  -0.336  
154  154  10  0.968  0.089  -0.588  
155  155   6  0.972  0.103  -0.326  
156  156   8  0.923  0.122  -0.160  
157  157   5  0.970  0.125   0.165  
158  158  12  0.971  0.103  -0.311  
159  159   9  0.802  0.280   2.397  
160  160   1  0.892  0.171       ?  
161  161   1  0.870  0.149       ?  
162  162   1  0.927  0.127       ?  
163  163   1  0.639  0.303       ?  
164  164   1  0.908  0.215       ?  
165  165   1  0.717  0.266       ?  
166  166   1  0.894  0.201       ?  
167  167   1  0.931  0.096       ?  
168  168   1  0.896  0.184       ?  
169  169   1  0.938  0.140       ?  
170  170   1  0.908  0.283       ?  
171  171   1  0.838  0.294       ?  
172  172   1  0.840  0.233       ?  
173  173   1  0.932  0.168       ?  
174  174   1  0.879  0.186       ?  
175  175   1  0.916  0.214       ?  
176  176   1  0.836  0.231       ?  
177  177   1  0.735  0.281       ?  
178  178   1  0.991  0.125       ?  
179  179   1  0.801  0.329       ?  
180  180   1  0.813  0.268       ?  
181  181   1  0.551  0.267       ?  
182  182   1  0.895  0.175       ?  
183  183   1  0.944  0.116       ?  
184  184   1  0.909  0.289       ?  
185  185   1  0.858  0.196       ?  
186  186   1  0.882  0.139       ?  
187  187   1  0.956  0.123       ?  
188  188   1  0.824  0.564       ?  
189  189   1  0.891  0.166       ?  
190  190   1  0.908  0.096       ?  
191  191   1  0.963  0.161       ?  
192  192   1  0.861  0.267       ?  
193  193   1  0.896  0.330       ?  
194  194   1  0.787  0.300       ?  
195  195   1  0.870  0.131       ?  
196  196   1  0.888  0.153       ?  
197  197   1  0.857  0.361       ?  
198  198   1  0.726  0.250       ?  
199  199   1  0.936  0.351       ?  
200  200   1  0.890  0.186       ?  
201  201   1  0.982  0.205       ?  
202  202   1  0.827  0.312       ?  
203  203   1  0.920  0.228       ?  
204  204   1  0.921  0.163       ?  
205  205   1  0.963  0.157       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
