data_4RW1

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4RW1
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4RW1
_pdbx_vrpt_summary.PDB_deposition_date         2014-12-01
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-09-15:12:23
_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      "Lysozyme C"  
2  non-polymer  "SODIUM ION"  
3  non-polymer  "CHLORIDE ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.9  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   98.43  141614     ?     ?  
 2  2  1   98.88    6847  1.90  1.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    6760  1.90  1.90  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    6760  1.90  1.90  
 7  1  4   48.56  127900     ?     ?  
 8  2  4   51.43    6082  1.90  1.90  
 9  1  5   36.52  130704     ?     ?  
10  2  5   22.39    6207  1.90  1.90  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A  100.00  
4  6  3  A  1  1  A  100.00  
5  7  4  A  1  1  A   48.56  
6  8  4  A  1  1  A   51.43  
#
_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       0.43
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1021
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1379
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     0.51
_pdbx_vrpt_summary_geometry.num_H_reduce                   958
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1021
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.43
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1379
_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                 64.035
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            32.723
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         39.705
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.38(1.91A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        10046
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.236
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.284
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.445
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.275
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.943
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.02
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[39.533,39.533,40.033,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.013
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.13% 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         100.00
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      517
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.15
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.10
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        32.05
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  LYS  A    1  .  ?        ?  
  2  1  1  A    2  VAL  A    2  .  ?        ?  
  3  1  1  A    3  PHE  A    3  .  ?        ?  
  4  1  1  A    4  GLY  A    4  .  ?        ?  
  5  1  1  A    5  ARG  A    5  .  ?        ?  
  6  1  1  A    6  CYS  A    6  .  ?        ?  
  7  1  1  A    7  GLU  A    7  .  ?        ?  
  8  1  1  A    8  LEU  A    8  .  ?        ?  
  9  1  1  A    9  ALA  A    9  .  ?        ?  
 10  1  1  A   10  ALA  A   10  .  ?        ?  
 11  1  1  A   11  ALA  A   11  .  ?        ?  
 12  1  1  A   12  MET  A   12  .  ?        ?  
 13  1  1  A   13  LYS  A   13  .  ?        ?  
 14  1  1  A   14  ARG  A   14  .  ?        ?  
 15  1  1  A   15  HIS  A   15  .  ?        ?  
 16  1  1  A   16  GLY  A   16  .  ?        ?  
 17  1  1  A   17  LEU  A   17  .  ?        ?  
 18  1  1  A   18  ASP  A   18  .  ?        ?  
 19  1  1  A   19  ASN  A   19  .  ?        ?  
 20  1  1  A   20  TYR  A   20  .  ?        ?  
 21  1  1  A   21  ARG  A   21  .  ?        ?  
 22  1  1  A   22  GLY  A   22  .  ?        ?  
 23  1  1  A   23  TYR  A   23  .  ?        ?  
 24  1  1  A   24  SER  A   24  .  ?        ?  
 25  1  1  A   25  LEU  A   25  .  ?        ?  
 26  1  1  A   26  GLY  A   26  .  ?        ?  
 27  1  1  A   27  ASN  A   27  .  ?        ?  
 28  1  1  A   28  TRP  A   28  .  ?        ?  
 29  1  1  A   29  VAL  A   29  .  ?        ?  
 30  1  1  A   30  CYS  A   30  .  ?        ?  
 31  1  1  A   31  ALA  A   31  .  ?        ?  
 32  1  1  A   32  ALA  A   32  .  ?        ?  
 33  1  1  A   33  LYS  A   33  .  ?        ?  
 34  1  1  A   34  PHE  A   34  .  ?        ?  
 35  1  1  A   35  GLU  A   35  .  ?        ?  
 36  1  1  A   36  SER  A   36  .  ?        ?  
 37  1  1  A   37  ASN  A   37  .  ?        ?  
 38  1  1  A   38  PHE  A   38  .  ?        ?  
 39  1  1  A   39  ASN  A   39  .  ?        ?  
 40  1  1  A   40  THR  A   40  .  ?        ?  
 41  1  1  A   41  GLN  A   41  .  ?        ?  
 42  1  1  A   42  ALA  A   42  .  ?        ?  
 43  1  1  A   43  THR  A   43  .  ?        ?  
 44  1  1  A   44  ASN  A   44  .  ?        ?  
 45  1  1  A   45  ARG  A   45  .  ?        ?  
 46  1  1  A   46  ASN  A   46  .  ?        ?  
 47  1  1  A   47  THR  A   47  .  ?        ?  
 48  1  1  A   48  ASP  A   48  .  ?        ?  
 49  1  1  A   49  GLY  A   49  .  ?        ?  
 50  1  1  A   50  SER  A   50  .  ?        ?  
 51  1  1  A   51  THR  A   51  .  ?        ?  
 52  1  1  A   52  ASP  A   52  .  ?        ?  
 53  1  1  A   53  TYR  A   53  .  ?        ?  
 54  1  1  A   54  GLY  A   54  .  ?        ?  
 55  1  1  A   55  ILE  A   55  .  ?        ?  
 56  1  1  A   56  LEU  A   56  .  ?        ?  
 57  1  1  A   57  GLN  A   57  .  ?        ?  
 58  1  1  A   58  ILE  A   58  .  ?        ?  
 59  1  1  A   59  ASN  A   59  .  ?        ?  
 60  1  1  A   60  SER  A   60  .  ?        ?  
 61  1  1  A   61  ARG  A   61  .  ?        ?  
 62  1  1  A   62  TRP  A   62  .  ?        ?  
 63  1  1  A   63  TRP  A   63  .  ?        1  
 64  1  1  A   64  CYS  A   64  .  ?        ?  
 65  1  1  A   65  ASN  A   65  .  ?        ?  
 66  1  1  A   66  ASP  A   66  .  ?        ?  
 67  1  1  A   67  GLY  A   67  .  ?        ?  
 68  1  1  A   68  ARG  A   68  .  ?        ?  
 69  1  1  A   69  THR  A   69  .  ?        ?  
 70  1  1  A   70  PRO  A   70  .  ?        ?  
 71  1  1  A   71  GLY  A   71  .  ?        ?  
 72  1  1  A   72  SER  A   72  .  ?        ?  
 73  1  1  A   73  ARG  A   73  .  ?        ?  
 74  1  1  A   74  ASN  A   74  .  ?        ?  
 75  1  1  A   75  LEU  A   75  .  ?        ?  
 76  1  1  A   76  CYS  A   76  .  ?        ?  
 77  1  1  A   77  ASN  A   77  .  ?        ?  
 78  1  1  A   78  ILE  A   78  .  ?        ?  
 79  1  1  A   79  PRO  A   79  .  ?        ?  
 80  1  1  A   80  CYS  A   80  .  ?        ?  
 81  1  1  A   81  SER  A   81  .  ?        ?  
 82  1  1  A   82  ALA  A   82  .  ?        ?  
 83  1  1  A   83  LEU  A   83  .  ?        ?  
 84  1  1  A   84  LEU  A   84  .  ?        ?  
 85  1  1  A   85  SER  A   85  .  ?        ?  
 86  1  1  A   86  SER  A   86  .  ?        ?  
 87  1  1  A   87  ASP  A   87  .  ?        ?  
 88  1  1  A   88  ILE  A   88  .  ?        ?  
 89  1  1  A   89  THR  A   89  .  ?        ?  
 90  1  1  A   90  ALA  A   90  .  ?        ?  
 91  1  1  A   91  SER  A   91  .  ?        ?  
 92  1  1  A   92  VAL  A   92  .  ?        ?  
 93  1  1  A   93  ASN  A   93  .  ?        ?  
 94  1  1  A   94  CYS  A   94  .  ?        ?  
 95  1  1  A   95  ALA  A   95  .  ?        ?  
 96  1  1  A   96  LYS  A   96  .  ?        ?  
 97  1  1  A   97  LYS  A   97  .  ?        ?  
 98  1  1  A   98  ILE  A   98  .  ?        1  
 99  1  1  A   99  VAL  A   99  .  ?        ?  
100  1  1  A  100  SER  A  100  .  ?        ?  
101  1  1  A  101  ASP  A  101  .  ?        ?  
102  1  1  A  102  GLY  A  102  .  ?        ?  
103  1  1  A  103  ASN  A  103  .  ?        ?  
104  1  1  A  104  GLY  A  104  .  ?        ?  
105  1  1  A  105  MET  A  105  .  ?        ?  
106  1  1  A  106  ASN  A  106  .  ?        ?  
107  1  1  A  107  ALA  A  107  .  ?        ?  
108  1  1  A  108  TRP  A  108  .  ?        ?  
109  1  1  A  109  VAL  A  109  .  ?        ?  
110  1  1  A  110  ALA  A  110  .  ?        ?  
111  1  1  A  111  TRP  A  111  .  ?        ?  
112  1  1  A  112  ARG  A  112  .  ?        ?  
113  1  1  A  113  ASN  A  113  .  ?        ?  
114  1  1  A  114  ARG  A  114  .  ?        ?  
115  1  1  A  115  CYS  A  115  .  ?        ?  
116  1  1  A  116  LYS  A  116  .  ?        ?  
117  1  1  A  117  GLY  A  117  .  ?        ?  
118  1  1  A  118  THR  A  118  .  ?        ?  
119  1  1  A  119  ASP  A  119  .  ?        ?  
120  1  1  A  120  VAL  A  120  .  ?        ?  
121  1  1  A  121  GLN  A  121  .  ?        ?  
122  1  1  A  122  ALA  A  122  .  ?        ?  
123  1  1  A  123  TRP  A  123  .  ?        ?  
124  1  1  A  124  ILE  A  124  .  ?        ?  
125  1  1  A  125  ARG  A  125  .  ?        ?  
126  1  1  A  126  GLY  A  126  .  ?        ?  
127  1  1  A  127  CYS  A  127  .  ?        ?  
128  1  1  A  128  ARG  A  128  .  ?        ?  
129  1  1  A  129  LEU  A  129  .  ?        ?  
130  1  2  B    .  NA   A  201  .  ?        ?  
131  1  3  C    .  CL   A  202  .  ?        ?  
132  1  4  D    .  HOH  A  301  .  ?        ?  
133  1  4  D    .  HOH  A  302  .  ?        ?  
134  1  4  D    .  HOH  A  303  .  ?        ?  
135  1  4  D    .  HOH  A  304  .  ?        ?  
136  1  4  D    .  HOH  A  305  .  ?        ?  
137  1  4  D    .  HOH  A  306  .  ?        ?  
138  1  4  D    .  HOH  A  307  .  ?        ?  
139  1  4  D    .  HOH  A  308  .  ?        ?  
140  1  4  D    .  HOH  A  309  .  ?        ?  
141  1  4  D    .  HOH  A  310  .  ?        ?  
142  1  4  D    .  HOH  A  311  .  ?        ?  
143  1  4  D    .  HOH  A  312  .  ?        ?  
144  1  4  D    .  HOH  A  313  .  ?        ?  
145  1  4  D    .  HOH  A  314  .  ?        ?  
146  1  4  D    .  HOH  A  315  .  ?        ?  
147  1  4  D    .  HOH  A  316  .  ?        ?  
148  1  4  D    .  HOH  A  317  .  ?        ?  
149  1  4  D    .  HOH  A  318  .  ?        ?  
150  1  4  D    .  HOH  A  319  .  ?        ?  
151  1  4  D    .  HOH  A  320  .  ?        ?  
152  1  4  D    .  HOH  A  321  .  ?        ?  
153  1  4  D    .  HOH  A  322  .  ?        ?  
154  1  4  D    .  HOH  A  323  .  ?        ?  
155  1  4  D    .  HOH  A  324  .  ?        ?  
156  1  4  D    .  HOH  A  325  .  ?        ?  
157  1  4  D    .  HOH  A  326  .  ?        ?  
158  1  4  D    .  HOH  A  327  .  ?        ?  
159  1  4  D    .  HOH  A  328  .  ?        ?  
160  1  4  D    .  HOH  A  329  .  ?        ?  
161  1  4  D    .  HOH  A  330  .  ?        ?  
162  1  4  D    .  HOH  A  331  .  ?        ?  
163  1  4  D    .  HOH  A  332  .  ?        ?  
164  1  4  D    .  HOH  A  333  .  ?        ?  
165  1  4  D    .  HOH  A  334  .  ?        ?  
166  1  4  D    .  HOH  A  335  .  ?        ?  
167  1  4  D    .  HOH  A  336  .  ?        ?  
168  1  4  D    .  HOH  A  337  .  ?        ?  
169  1  4  D    .  HOH  A  338  .  ?        ?  
170  1  4  D    .  HOH  A  339  .  ?        ?  
171  1  4  D    .  HOH  A  340  .  ?        ?  
172  1  4  D    .  HOH  A  341  .  ?        ?  
173  1  4  D    .  HOH  A  342  .  ?        ?  
174  1  4  D    .  HOH  A  343  .  ?        ?  
175  1  4  D    .  HOH  A  344  .  ?        ?  
176  1  4  D    .  HOH  A  345  .  ?        ?  
177  1  4  D    .  HOH  A  346  .  ?        ?  
178  1  4  D    .  HOH  A  347  .  ?        ?  
179  1  4  D    .  HOH  A  348  .  ?        ?  
180  1  4  D    .  HOH  A  349  .  ?        ?  
181  1  4  D    .  HOH  A  350  .  ?        ?  
182  1  4  D    .  HOH  A  351  .  ?        ?  
183  1  4  D    .  HOH  A  352  .  ?        ?  
184  1  4  D    .  HOH  A  353  .  ?        ?  
185  1  4  D    .  HOH  A  354  .  ?        ?  
186  1  4  D    .  HOH  A  355  .  ?        ?  
187  1  4  D    .  HOH  A  356  .  ?        ?  
188  1  4  D    .  HOH  A  357  .  ?        ?  
189  1  4  D    .  HOH  A  358  .  ?        ?  
190  1  4  D    .  HOH  A  359  .  ?        ?  
191  1  4  D    .  HOH  A  360  .  ?        ?  
192  1  4  D    .  HOH  A  361  .  ?        ?  
193  1  4  D    .  HOH  A  362  .  ?        ?  
194  1  4  D    .  HOH  A  363  .  ?        ?  
195  1  4  D    .  HOH  A  364  .  ?        ?  
196  1  4  D    .  HOH  A  365  .  ?        ?  
197  1  4  D    .  HOH  A  366  .  ?        ?  
198  1  4  D    .  HOH  A  367  .  ?        ?  
199  1  4  D    .  HOH  A  368  .  ?        ?  
#
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.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  tttp          ?       ?  ?          15  30.910     9  0.63    11  0.27  molprobity  1.000  
  2    2  t        -102.3   103.9  Favored     9  29.340     7  0.31    10  0.43  molprobity  1.000  
  3    3  m-85      -70.2   147.1  Favored     9  30.650    12  0.58    16  0.48  molprobity  1.000  
  4    4  ?         -72.8   157.4  Favored     3  30.090     4  0.52     5  0.69  molprobity  1.000  
  5    5  ttp85     -57.4   -56.7  Favored    13  32.060    11  0.37    14  0.87  molprobity  1.000  
  6    6  m         -68.6   -34.2  Favored     4  30.700     6  0.27     8  0.22  molprobity  1.000  
  7    7  tt0       -57.9   -47.1  Favored     6  31.320     9  0.32    12  0.34  molprobity  1.000  
  8    8  tp        -66.9   -40.9  Favored    11  28.390     8  0.31    11  0.16  molprobity  1.000  
  9    9  ?         -54.1   -48.3  Favored     5  27.910     5  0.39     7  0.34  molprobity  1.000  
 10   10  ?         -64.3   -41.8  Favored     5  29.080     5  0.49     7  0.31  molprobity  1.000  
 11   11  ?         -63.2   -45.1  Favored     5  29.550     5  0.33     7  0.27  molprobity  1.000  
 12   12  mtt       -63.8   -40.6  Favored     9  28.980     8  0.29    10  0.27  molprobity  1.000  
 13   13  tttm      -62.9   -41.3  Favored    13  34.220     9  0.38    11  0.30  molprobity  1.000  
 14   14  ttp85     -63.2   -33.9  Favored    13  38.360    11  0.34    14  0.77  molprobity  1.000  
 15   15  m80       -87.6     5.4  Favored     7  35.310    11  0.33    15  0.45  molprobity  1.000  
 16   16  ?          91.4    16.7  Favored     3  33.970     4  0.74     5  0.84  molprobity  1.000  
 17   17  mt        -82.5   -14.8  Favored    11  33.630     8  0.40    11  0.77  molprobity  1.000  
 18   18  t0        -70.6   116.3  Favored     4  35.810     8  0.47    11  0.78  molprobity  1.000  
 19   19  m-20       65.7    17.6  Favored     6  35.380     8  0.26    11  0.53  molprobity  1.000  
 20   20  t80       -65.0   121.7  Favored     9  33.740    13  0.25    18  0.45  molprobity  1.000  
 21   21  mmp_?      54.3    33.2  Favored    13  37.480    11  0.36    14  0.55  molprobity  1.000  
 22   22  ?          81.8     7.2  Favored     3  28.940     4  0.18     5  0.66  molprobity  1.000  
 23   23  m-85      -99.8   112.0  Favored     9  25.740    13  0.56    18  0.33  molprobity  1.000  
 24   24  p         -63.6   157.8  Favored     5  27.380     6  0.52     8  0.59  molprobity  1.000  
 25   25  tp        -53.2   -41.0  Favored    11  27.000     8  0.26    11  0.56  molprobity  1.000  
 26   26  ?         -53.4   -34.4  Favored     3  24.750     4  0.47     5  0.40  molprobity  1.000  
 27   27  m-80      -62.6   -44.5  Favored     6  24.260     8  0.49    11  0.39  molprobity  1.000  
 28   28  m95       -68.6   -39.6  Favored    10  24.130    16  0.30    23  0.24  molprobity  1.000  
 29   29  t         -66.6   -43.6  Favored     9  22.930     7  0.55    10  0.25  molprobity  1.000  
 30   30  t         -61.2   -44.0  Favored     4  22.760     6  0.43     8  0.47  molprobity  1.000  
 31   31  ?         -60.2   -45.5  Favored     5  23.220     5  0.48     7  0.30  molprobity  1.000  
 32   32  ?         -64.5   -42.5  Favored     5  23.340     5  0.33     7  0.21  molprobity  1.000  
 33   33  tptt      -54.3   -51.5  Favored    13  26.560     9  0.44    11  0.43  molprobity  1.000  
 34   34  m-85      -83.8   -20.0  Favored     9  25.340    12  0.51    16  0.52  molprobity  1.000  
 35   35  mm-40     -78.7   -43.7  Favored     6  25.570     9  0.62    12  0.32  molprobity  1.000  
 36   36  p        -132.8    -4.9  Favored     5  25.150     6  0.48     8  0.91  molprobity  1.000  
 37   37  t30        56.4    35.6  Favored     6  28.660     8  0.46    11  0.54  molprobity  1.000  
 38   38  m-85       66.1    20.1  Favored     9  25.660    12  0.70    16  0.61  molprobity  1.000  
 39   39  t-20     -101.7   116.3  Favored     6  24.790     8  0.50    11  0.29  molprobity  1.000  
 40   40  p         -67.0   -20.4  Favored     7  24.840     7  0.45    10  0.72  molprobity  1.000  
 41   41  mt-30     -90.8     1.5  Favored     8  26.050     9  0.52    12  0.46  molprobity  1.000  
 42   42  ?         -58.8   129.5  Favored     5  25.410     5  0.56     7  0.72  molprobity  1.000  
 43   43  p        -131.8   143.2  Favored     7  26.350     7  0.51    10  0.74  molprobity  1.000  
 44   44  m-80     -145.3   129.1  Favored     6  29.750     8  0.28    11  0.46  molprobity  1.000  
 45   45  tpt180    -85.9   133.9  Favored    13  34.690    11  0.37    14  1.03  molprobity  1.000  
 46   46  m-20      -94.8   164.6  Favored     6  31.980     8  0.31    11  0.29  molprobity  1.000  
 47   47  p         -63.0   -32.2  Favored     7  34.760     7  0.48    10  0.61  molprobity  1.000  
 48   48  p-10      -78.4    -1.8  Favored     4  34.650     8  0.33    11  0.78  molprobity  1.000  
 49   49  ?          99.1   -10.0  Favored     3  31.820     4  0.55     5  0.17  molprobity  1.000  
 50   50  p         -73.5   166.7  Favored     5  28.220     6  0.45     8  0.37  molprobity  1.000  
 51   51  m        -133.2   143.1  Favored     7  25.310     7  0.36    10  0.58  molprobity  1.000  
 52   52  m-20      -99.5   137.9  Favored     4  25.380     8  0.37    11  1.22  molprobity  1.000  
 53   53  m-85     -127.2   130.5  Favored     9  23.750    13  0.49    18  0.57  molprobity  1.000  
 54   54  ?          85.7  -165.4  Favored     3  23.290     4  0.61     5  0.93  molprobity  1.000  
 55   55  tt        -63.0   -28.8  Favored    11  24.930     8  0.46    11  0.52  molprobity  1.000  
 56   56  mt       -113.8    13.7  Favored    11  24.470     8  0.40    11  0.34  molprobity  1.000  
 57   57  mm-40      50.9    51.6  Favored     8  24.480     9  0.42    12  0.67  molprobity  1.000  
 58   58  mt        -74.2   131.2  Favored    11  24.800     8  0.38    11  0.70  molprobity  1.000  
 59   59  t-20      -88.3   129.5  Favored     6  27.610     8  0.47    11  0.62  molprobity  1.000  
 60   60  p         -69.1   -12.6  Favored     5  27.450     6  0.51     8  0.51  molprobity  1.000  
 61   61  tpp180    -59.0   -39.5  Favored    13  34.850    11  0.48    14  0.80  molprobity  1.000  
 62   62  m95      -122.6   -30.3  Favored    10  34.010    16  0.46    23  0.58  molprobity  1.000  
 63   63  m95      -109.7   -26.1  Favored    10  27.000    16  0.45    23  0.49  molprobity  1.000  
 64   64  p        -145.8   162.6  Favored     4  25.400     6  0.36     8  0.48  molprobity  1.000  
 65   65  t30      -104.2   121.3  Favored     6  28.320     8  0.30    11  0.32  molprobity  1.000  
 66   66  p30      -117.0     7.1  Favored     4  26.950     8  0.49    11  0.96  molprobity  1.000  
 67   67  ?          70.4     5.4  Favored     3  28.970     4  0.25     5  0.50  molprobity  1.000  
 68   68  ptt180   -138.8    25.1  Favored    13  30.910    11  0.37    14  0.52  molprobity  1.000  
 69   69  m        -124.9    85.7  Favored     7  32.140     7  0.53    11  0.70  molprobity  1.000  
 70   70  Cg_exo    -58.7   138.3  Favored     7  35.100     8  0.34    11  0.38  molprobity  1.000  
 71   71  ?          75.8    11.8  Favored     3  36.990     4  0.13     5  0.20  molprobity  1.000  
 72   72  p         -91.3   161.3  Favored     4  36.900     6  0.41     8  0.39  molprobity  1.000  
 73   73  mtt180   -100.5   162.2  Favored    13  40.480    11  0.46    14  0.80  molprobity  1.000  
 74   74  t30      -127.8    66.0  Allowed     6  32.760     8  0.36    11  0.49  molprobity  1.000  
 75   75  mt        -69.4   -23.0  Favored    11  32.180     8  0.32    11  0.46  molprobity  1.000  
 76   76  m         -90.1    -3.6  Favored     4  30.010     6  0.33     8  0.40  molprobity  1.000  
 77   77  m120       58.5    49.0  Favored     6  33.440     8  0.48    11  0.52  molprobity  1.000  
 78   78  pt       -148.0   152.9  Favored    11  29.820     8  0.43    12  0.85  molprobity  1.000  
 79   79  Cg_endo   -71.5   142.7  Favored     7  27.840     8  0.45    11  0.48  molprobity  1.000  
 80   80  m         -59.2   -30.5  Favored     4  26.170     6  0.60     8  0.41  molprobity  1.000  
 81   81  p         -59.4   -31.4  Favored     5  27.580     6  0.43     8  0.44  molprobity  1.000  
 82   82  ?         -63.4   -22.4  Favored     5  29.000     5  0.37     7  0.34  molprobity  1.000  
 83   83  mt        -76.8    -4.9  Favored    11  29.460     8  0.32    11  0.63  molprobity  1.000  
 84   84  mt       -101.5     1.5  Favored    11  30.430     8  0.35    11  0.42  molprobity  1.000  
 85   85  t         -65.7   153.6  Favored     5  31.840     6  0.41     8  0.28  molprobity  1.000  
 86   86  p         -66.8   -22.6  Favored     5  32.660     6  0.52     8  0.44  molprobity  1.000  
 87   87  t0        -85.7   118.4  Favored     4  33.820     8  0.39    11  1.06  molprobity  1.000  
 88   88  pt        -83.9     1.1  Favored    11  31.650     8  0.54    11  0.65  molprobity  1.000  
 89   89  m         -48.1   -52.5  Favored     7  30.440     7  0.49    10  0.65  molprobity  1.000  
 90   90  ?         -63.8   -40.2  Favored     5  28.370     5  0.51     7  0.34  molprobity  1.000  
 91   91  m         -64.0   -45.0  Favored     5  27.460     6  0.36     8  0.31  molprobity  1.000  
 92   92  t         -62.1   -48.0  Favored     9  27.750     7  0.42    10  0.53  molprobity  1.000  
 93   93  m-20      -60.6   -39.3  Favored     6  29.590     8  0.38    11  0.33  molprobity  1.000  
 94   94  t         -70.5   -41.5  Favored     4  26.300     6  0.26     8  0.29  molprobity  1.000  
 95   95  ?         -58.2   -36.7  Favored     5  26.220     5  0.43     7  0.31  molprobity  1.000  
 96   96  mttt      -61.1   -39.1  Favored    13  28.620     9  0.44    11  0.36  molprobity  1.000  
 97   97  ttmt      -66.2   -42.0  Favored    13  31.100     9  0.46    11  0.22  molprobity  1.000  
 98   98  mt        -63.9   -51.7  Favored    11  27.630     8  0.35    11  0.41  molprobity  1.000  
 99   99  p         -67.2   -16.6  Favored     9  29.020     7  0.50    10  0.36  molprobity  1.000  
100  100  m         -87.9    -5.8  Favored     5  31.440     6  0.33     8  0.64  molprobity  1.000  
101  101  p30       -82.2     0.1  Favored     4  33.370     8  0.40    11  1.05  molprobity  1.000  
102  102  ?         123.5   -25.6  Favored     3  31.710     4  0.37     5  0.47  molprobity  1.000  
103  103  m-20     -107.4     5.6  Favored     6  32.000     8  0.27    11  0.47  molprobity  1.000  
104  104  ?          58.1  -141.0  Favored     3  26.780     4  0.17     5  0.24  molprobity  1.000  
105  105  mtp       -81.2    -3.5  Favored     9  25.100     8  0.42    10  0.64  molprobity  1.000  
106  106  m-80      -61.5   -18.4  Favored     6  25.350     8  0.26    11  0.34  molprobity  1.000  
107  107  ?         -56.3   -26.6  Favored     5  26.140     5  0.46     7  0.40  molprobity  1.000  
108  108  m-90      -98.0   107.2  Favored    10  25.870    16  0.48    23  0.26  molprobity  1.000  
109  109  p         -57.1   -40.8  Favored     9  25.550     7  0.42    10  0.42  molprobity  1.000  
110  110  ?         -67.6   -32.0  Favored     5  24.960     5  0.48     7  0.45  molprobity  1.000  
111  111  t90       -64.6   -48.3  Favored    10  24.140    16  0.51    23  0.48  molprobity  1.000  
112  112  ttp85     -61.0   -41.1  Favored    13  30.590    11  0.54    14  1.15  molprobity  1.000  
113  113  m-20      -88.1   -22.8  Favored     6  25.950     8  0.21    11  0.63  molprobity  1.000  
114  114  mtp180   -128.2   -10.6  Favored    13  27.360    11  0.43    14  0.62  molprobity  1.000  
115  115  m        -119.3   -49.1  Favored     4  25.820     6  0.24     8  0.48  molprobity  1.000  
116  116  tttt      -49.5   128.7  Favored    13  28.150     9  0.41    11  0.36  molprobity  1.000  
117  117  ?          76.9     4.7  Favored     3  30.620     4  0.61     5  0.48  molprobity  1.000  
118  118  p        -100.9   170.1  Favored     7  31.770     7  0.60    10  0.77  molprobity  1.000  
119  119  t0        -75.6    83.7  Favored     4  35.240     8  0.24    11  0.59  molprobity  1.000  
120  120  m         -71.2   -20.9  Favored     9  33.490     7  0.41    10  0.51  molprobity  1.000  
121  121  mp0       -60.8   -22.4  Favored     8  37.080     9  0.45    12  0.50  molprobity  1.000  
122  122  ?         -57.5   -27.3  Favored     5  33.250     5  0.42     7  0.31  molprobity  1.000  
123  123  m95       -73.3   -18.8  Favored    10  31.910    16  0.39    23  0.47  molprobity  1.000  
124  124  pt       -113.3     4.7  Favored    11  35.180     8  0.33    11  0.38  molprobity  1.000  
125  125  ttm180    -64.2   132.1  Favored    13  41.400    11  0.49    14  0.68  molprobity  1.000  
126  126  ?          85.5    -9.1  Favored     3  38.280     4  0.49     5  0.48  molprobity  1.000  
127  127  m         -81.8   140.7  Favored     4  38.330     6  0.19     8  0.33  molprobity  1.000  
128  128  ttm180    -85.7   103.0  Favored    13  45.840    11  0.42    14  1.13  molprobity  1.000  
129  129  mt            ?       ?  ?          11  45.900     8  0.25     8  0.40  molprobity  1.000  
130  130  ?             ?       ?  ?           ?  36.000     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?  32.250     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?  24.860     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?  28.180     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?  30.830     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?  22.860     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?  35.570     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?  36.470     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  27.660     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  34.680     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?  30.720     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  43.920     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  32.730     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?  38.360     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  30.080     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  32.100     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  40.470     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?  47.250     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?  37.940     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  58.640     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?  49.270     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?  43.040     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?  44.390     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  41.950     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  42.940     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  42.380     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  37.380     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  42.810     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  46.510     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  36.660     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  37.830     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  38.590     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?  37.040     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?  48.820     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?  48.360     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?  39.330     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?  51.070     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?  48.390     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?  41.520     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?  39.380     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?  49.520     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?  37.240     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?  35.210     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?  41.020     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?  45.940     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?  44.600     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?  47.110     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?  46.200     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?  29.660     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?  25.830     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?  20.440     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?  35.900     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?  33.020     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?  36.830     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?  29.720     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?  51.930     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?  32.860     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?  43.440     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?  44.880     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?  38.200     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?  48.740     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?  44.850     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?  39.420     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?  34.710     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?  57.600     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?  46.280     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?  39.440     ?     ?     ?     ?  ?           1.000  
197  197  ?             ?       ?  ?           ?  38.350     ?     ?     ?     ?  ?           1.000  
198  198  ?             ?       ?  ?           ?  55.510     ?     ?     ?     ?  ?           1.000  
199  199  ?             ?       ?  ?           ?  38.340     ?     ?     ?     ?  ?           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  63  CE2   1  0.42  2.54  
2  98  HG12  1  0.42  2.54  
#
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   9  0.900  0.107  -0.569  
  2    2   7  0.904  0.101  -0.160  
  3    3  11  0.920  0.099  -0.142  
  4    4   4  0.896  0.165   1.123  
  5    5  11  0.879  0.160   0.440  
  6    6   6  0.949  0.073  -0.485  
  7    7   9  0.909  0.094  -0.668  
  8    8   8  0.948  0.122   0.219  
  9    9   5  0.964  0.077  -0.509  
 10   10   5  0.950  0.077  -0.509  
 11   11   5  0.917  0.097  -0.102  
 12   12   8  0.957  0.110   0.026  
 13   13   9  0.910  0.115  -0.453  
 14   14  11  0.906  0.146   0.223  
 15   15  10  0.927  0.129   0.339  
 16   16   4  0.909  0.081  -0.377  
 17   17   8  0.938  0.126   0.309  
 18   18   8  0.853  0.154   0.560  
 19   19   8  0.881  0.167   0.866  
 20   20  12  0.906  0.110   0.163  
 21   21  11  0.797  0.198   1.028  
 22   22   4  0.967  0.138   0.641  
 23   23  12  0.930  0.124   0.484  
 24   24   6  0.905  0.104  -0.091  
 25   25   8  0.968  0.152   0.890  
 26   26   4  0.959  0.141   0.695  
 27   27   8  0.974  0.086  -0.475  
 28   28  14  0.941  0.106   0.158  
 29   29   7  0.953  0.130   0.484  
 30   30   6  0.975  0.121   0.721  
 31   31   5  0.978  0.095  -0.143  
 32   32   5  0.958  0.115   0.265  
 33   33   9  0.921  0.137  -0.132  
 34   34  11  0.944  0.089  -0.374  
 35   35   9  0.947  0.106  -0.499  
 36   36   6  0.943  0.147   0.679  
 37   37   8  0.892  0.120   0.088  
 38   38  11  0.937  0.094  -0.258  
 39   39   8  0.951  0.103  -0.194  
 40   40   7  0.971  0.099  -0.127  
 41   41   9  0.958  0.100  -0.443  
 42   42   5  0.942  0.169   1.365  
 43   43   7  0.950  0.151   0.890  
 44   44   8  0.921  0.134   0.320  
 45   45  11  0.844  0.165   0.517  
 46   46   8  0.941  0.094  -0.343  
 47   47   7  0.900  0.137   0.616  
 48   48   8  0.937  0.087  -0.509  
 49   49   4  0.952  0.076  -0.466  
 50   50   6  0.941  0.079  -0.539  
 51   51   7  0.945  0.104  -0.029  
 52   52   8  0.922  0.108  -0.174  
 53   53  12  0.946  0.105   0.048  
 54   54   4  0.977  0.104   0.034  
 55   55   8  0.951  0.122   0.228  
 56   56   8  0.946  0.106  -0.139  
 57   57   9  0.929  0.126  -0.039  
 58   58   8  0.927  0.100  -0.274  
 59   59   8  0.909  0.124   0.154  
 60   60   6  0.937  0.077  -0.575  
 61   61  11  0.877  0.198   1.028  
 62   62  14  0.861  0.176   1.912  
 63   63  14  0.912  0.088  -0.293  
 64   64   6  0.964  0.083  -0.234  
 65   65   8  0.884  0.109  -0.094  
 66   66   8  0.935  0.099  -0.317  
 67   67   4  0.927  0.109   0.123  
 68   68  11  0.885  0.151   0.300  
 69   69   7  0.912  0.105  -0.010  
 70   70   7  0.901  0.183   1.455  
 71   71   4  0.944  0.217   2.052  
 72   72   6  0.946  0.076  -0.593  
 73   73  11  0.760  0.206   1.152  
 74   74   8  0.915  0.114  -0.012  
 75   75   8  0.960  0.121   0.197  
 76   76   6  0.926  0.103   0.269  
 77   77   8  0.744  0.259   2.389  
 78   78   8  0.945  0.092  -0.457  
 79   79   7  0.928  0.092  -0.249  
 80   80   6  0.980  0.089  -0.083  
 81   81   6  0.951  0.094  -0.271  
 82   82   5  0.933  0.107   0.102  
 83   83   8  0.948  0.104  -0.183  
 84   84   8  0.944  0.110  -0.049  
 85   85   6  0.935  0.087  -0.396  
 86   86   6  0.916  0.084  -0.450  
 87   87   8  0.922  0.086  -0.525  
 88   88   8  0.939  0.107  -0.114  
 89   89   7  0.932  0.083  -0.440  
 90   90   5  0.944  0.073  -0.591  
 91   91   6  0.963  0.072  -0.665  
 92   92   7  0.954  0.100  -0.182  
 93   93   8  0.901  0.100  -0.243  
 94   94   6  0.978  0.067  -0.636  
 95   95   5  0.964  0.065  -0.754  
 96   96   9  0.904  0.104  -0.613  
 97   97   9  0.895  0.197   0.741  
 98   98   8  0.946  0.086  -0.594  
 99   99   7  0.919  0.102  -0.138  
100  100   6  0.938  0.118   0.159  
101  101   8  0.868  0.134   0.241  
102  102   4  0.949  0.164   1.105  
103  103   8  0.877  0.121   0.104  
104  104   4  0.976  0.077  -0.448  
105  105   8  0.951  0.138   0.580  
106  106   8  0.950  0.069  -0.757  
107  107   5  0.943  0.140   0.774  
108  108  14  0.918  0.102   0.058  
109  109   7  0.915  0.142   0.751  
110  110   5  0.946  0.121   0.387  
111  111  14  0.912  0.109   0.233  
112  112  11  0.872  0.137   0.084  
113  113   8  0.927  0.095  -0.326  
114  114  11  0.929  0.105  -0.412  
115  115   6  0.971  0.099   0.168  
116  116   9  0.923  0.105  -0.598  
117  117   4  0.928  0.068  -0.609  
118  118   7  0.938  0.093  -0.245  
119  119   8  0.864  0.243   1.979  
120  120   7  0.890  0.124   0.351  
121  121   9  0.709  0.291   2.523  
122  122   5  0.865  0.113   0.224  
123  123  14  0.940  0.075  -0.619  
124  124   8  0.946  0.105  -0.160  
125  125  11  0.843  0.271   2.158  
126  126   4  0.873  0.144   0.748  
127  127   6  0.949  0.092  -0.008  
128  128  11  0.892  0.176   0.687  
129  129   9  0.843  0.200   1.964  
130  130   1  0.945  0.054       ?  
131  131   1  0.980  0.112       ?  
132  132   1  0.976  0.147       ?  
133  133   1  0.958  0.085       ?  
134  134   1  0.980  0.299       ?  
135  135   1  0.986  0.106       ?  
136  136   1  0.922  0.113       ?  
137  137   1  0.910  0.102       ?  
138  138   1  0.944  0.107       ?  
139  139   1  0.930  0.154       ?  
140  140   1  0.914  0.235       ?  
141  141   1  0.846  0.146       ?  
142  142   1  0.893  0.087       ?  
143  143   1  0.959  0.128       ?  
144  144   1  0.907  0.095       ?  
145  145   1  0.968  0.207       ?  
146  146   1  0.931  0.076       ?  
147  147   1  0.654  0.178       ?  
148  148   1  0.894  0.143       ?  
149  149   1  0.698  0.187       ?  
150  150   1  0.760  0.136       ?  
151  151   1  0.825  0.254       ?  
152  152   1  0.952  0.516       ?  
153  153   1  0.864  0.187       ?  
154  154   1  0.787  0.195       ?  
155  155   1  0.883  0.190       ?  
156  156   1  0.962  0.220       ?  
157  157   1  0.865  0.161       ?  
158  158   1  0.858  0.205       ?  
159  159   1  0.915  0.117       ?  
160  160   1  0.860  0.140       ?  
161  161   1  0.989  0.098       ?  
162  162   1  0.851  0.293       ?  
163  163   1  0.805  0.313       ?  
164  164   1  0.910  0.138       ?  
165  165   1  0.675  0.393       ?  
166  166   1  0.753  0.214       ?  
167  167   1  0.977  0.220       ?  
168  168   1  0.946  0.374       ?  
169  169   1  0.891  0.099       ?  
170  170   1  0.506  0.427       ?  
171  171   1  0.819  0.229       ?  
172  172   1  0.954  0.152       ?  
173  173   1  0.772  0.342       ?  
174  174   1  0.922  0.152       ?  
175  175   1  0.823  0.171       ?  
176  176   1  0.523  0.146       ?  
177  177   1  0.878  0.112       ?  
178  178   1  0.969  0.191       ?  
179  179   1  0.970  0.287       ?  
180  180   1  0.968  0.217       ?  
181  181   1  0.918  0.154       ?  
182  182   1  0.901  0.207       ?  
183  183   1  0.893  0.123       ?  
184  184   1  0.984  0.072       ?  
185  185   1  0.859  0.342       ?  
186  186   1  0.890  0.151       ?  
187  187   1  0.914  0.182       ?  
188  188   1  0.848  0.138       ?  
189  189   1  0.919  0.152       ?  
190  190   1  0.767  0.236       ?  
191  191   1  0.774  0.309       ?  
192  192   1  0.970  0.100       ?  
193  193   1  0.964  0.320       ?  
194  194   1  0.508  0.331       ?  
195  195   1  0.839  0.283       ?  
196  196   1  0.887  0.214       ?  
197  197   1  0.742  0.153       ?  
198  198   1  0.775  0.870       ?  
199  199   1  0.949  0.123       ?  
#
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        unknown                                                               Y  
3  eds          2.35.1                                                                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  
##
