data_6WNM

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6WNM
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6WNM
_pdbx_vrpt_summary.PDB_deposition_date         2020-04-22
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2021-08-25
_pdbx_vrpt_summary.report_creation_date        2021-08-18:14:03
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      Pf4r                                                                                    
2  non-polymer  "[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury"  
3  water        water                                                                                   
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  3  
E  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.58  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   94.84  141614     ?     ?  
 2  2  1   97.55    4049  2.56  2.60  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3979  2.56  2.60  
 5  1  3   50.02  138945     ?     ?  
 6  2  3   72.71    3979  2.56  2.60  
 7  1  4   55.52  127900     ?     ?  
 8  2  4   51.96    3614  2.56  2.60  
 9  1  5   36.52  130704     ?     ?  
10  2  5   65.63    3676  2.56  2.60  
#
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   27.36  
 4  6  3  A  1  1  A   50.14  
 5  7  4  A  1  1  A   76.80  
 6  8  4  A  1  1  A   74.35  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B  100.00  
10  6  3  B  1  1  B  100.00  
11  7  4  B  1  1  B   39.05  
12  8  4  B  1  1  B   34.48  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.67  0.65   624   846  
2  1  1  B  B  0.47  0.28   602   817  
3  1  2  C  A     ?     ?     ?     ?  
4  1  3  D  A     ?     ?     ?     ?  
5  1  3  E  B     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.29
_pdbx_vrpt_summary_geometry.clashscore                     1.23
_pdbx_vrpt_summary_geometry.num_H_reduce                   1213
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1226
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.50
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1663
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.58
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 91.365
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            58.247
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         32.391
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.02(2.10A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7277
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.339
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.452
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.497
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.342
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.920
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.10
_pdbx_vrpt_summary_diffraction.EDS_res_low               42.33
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[32.716,35.430,29.057,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.197
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 9.14% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         2
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         78.06
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      406
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.58
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.58
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.58
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        42.33
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_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
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A   2  SER  A    2  .  ?        ?     ?     ?     ?  
  2  1  1  A   3  THR  A    3  .  ?        ?     ?     ?     ?  
  3  1  1  A   4  PRO  A    4  .  ?        ?     ?     ?     ?  
  4  1  1  A   5  ALA  A    5  .  ?        ?     ?     ?     ?  
  5  1  1  A   6  ASP  A    6  .  ?        ?     ?     ?     ?  
  6  1  1  A   7  ARG  A    7  .  ?        ?     ?     ?     ?  
  7  1  1  A   8  ALA  A    8  .  ?        ?     ?     ?     ?  
  8  1  1  A   9  ARG  A    9  .  ?        ?     ?     ?     ?  
  9  1  1  A  10  LEU  A   10  .  ?        ?     ?     ?     ?  
 10  1  1  A  11  LEU  A   11  .  ?        ?     ?     ?     ?  
 11  1  1  A  12  ILE  A   12  .  ?        ?     ?     ?     ?  
 12  1  1  A  13  LYS  A   13  .  ?        ?     ?     ?     ?  
 13  1  1  A  14  LYS  A   14  .  ?        ?     ?     ?     ?  
 14  1  1  A  15  ILE  A   15  .  ?        1     ?     ?     ?  
 15  1  1  A  16  GLY  A   16  .  ?        ?     ?     ?     ?  
 16  1  1  A  17  PRO  A   17  .  ?        ?     ?     ?     ?  
 17  1  1  A  18  LYS  A   18  .  ?        ?     ?     ?     ?  
 18  1  1  A  19  LYS  A   19  .  ?        ?     ?     ?     ?  
 19  1  1  A  20  VAL  A   20  .  ?        1     ?     ?     ?  
 20  1  1  A  21  SER  A   21  .  ?        ?     ?     ?     ?  
 21  1  1  A  22  LEU  A   22  .  ?        ?     ?     ?     ?  
 22  1  1  A  23  HIS  A   23  .  ?        ?     ?     ?     ?  
 23  1  1  A  24  GLY  A   24  .  ?        ?     ?     ?     ?  
 24  1  1  A  25  GLY  A   25  .  ?        ?     ?     ?     ?  
 25  1  1  A  26  ASP  A   26  .  ?        ?     ?     ?     ?  
 26  1  1  A  27  TYR  A   27  .  ?        ?     ?     ?     ?  
 27  1  1  A  28  GLU  A   28  .  ?        ?     ?     ?     ?  
 28  1  1  A  29  ARG  A   29  .  ?        ?     ?     ?     ?  
 29  1  1  A  30  TRP  A   30  .  ?        ?     ?     ?     ?  
 30  1  1  A  31  LYS  A   31  .  ?        ?     ?     ?     ?  
 31  1  1  A  32  SER  A   32  .  ?        1     ?     ?     ?  
 32  1  1  A  33  VAL  A   33  .  ?        ?     ?     ?     ?  
 33  1  1  A  34  SER  A   34  .  ?        ?     ?     ?     ?  
 34  1  1  A  35  LYS  A   35  .  ?        ?     ?     ?     ?  
 35  1  1  A  36  GLY  A   36  .  ?        ?     ?     ?     ?  
 36  1  1  A  37  ALA  A   37  .  ?        ?     ?     ?     ?  
 37  1  1  A  38  ILE  A   38  .  ?        1     ?     ?     ?  
 38  1  1  A  39  ARG  A   39  .  ?        ?     ?     ?     ?  
 39  1  1  A  40  VAL  A   40  .  ?        ?     ?     ?     ?  
 40  1  1  A  41  SER  A   41  .  ?        ?     ?     ?     ?  
 41  1  1  A  42  THR  A   42  .  ?        ?     ?     ?     ?  
 42  1  1  A  43  GLU  A   43  .  ?        ?     ?     ?     ?  
 43  1  1  A  44  GLU  A   44  .  ?        ?     ?     ?     ?  
 44  1  1  A  45  ILE  A   45  .  ?        ?     ?     ?     ?  
 45  1  1  A  46  ASP  A   46  .  ?        ?     ?     ?     ?  
 46  1  1  A  47  VAL  A   47  .  ?        ?     ?     ?     ?  
 47  1  1  A  48  LEU  A   48  .  ?        ?     ?     ?     ?  
 48  1  1  A  49  VAL  A   49  .  ?        ?     ?     ?     ?  
 49  1  1  A  50  LYS  A   50  .  ?        ?     ?     ?     ?  
 50  1  1  A  51  ILE  A   51  .  ?        ?     ?     ?     ?  
 51  1  1  A  52  PHE  A   52  .  ?        ?     ?     ?     ?  
 52  1  1  A  53  PRO  A   53  .  ?        ?     ?     ?     ?  
 53  1  1  A  54  ASN  A   54  .  ?        ?     ?     ?     ?  
 54  1  1  A  55  TYR  A   55  .  ?        ?     ?     ?     ?  
 55  1  1  A  56  ALA  A   56  .  ?        ?     ?     ?     ?  
 56  1  1  A  57  LEU  A   57  .  ?        ?     ?     ?     ?  
 57  1  1  A  58  TRP  A   58  .  ?        ?     ?     ?     ?  
 58  1  1  A  59  ILE  A   59  .  ?        ?     ?     ?     ?  
 59  1  1  A  60  ALA  A   60  .  ?        ?     ?     ?     ?  
 60  1  1  A  61  SER  A   61  .  ?        ?     ?     ?     ?  
 61  1  1  A  62  GLY  A   62  .  ?        ?     ?     ?     ?  
 62  1  1  A  63  SER  A   63  .  ?        ?     ?     ?     ?  
 63  1  1  A  64  ILE  A   64  .  ?        ?     ?     ?     ?  
 64  1  1  A  65  ALA  A   65  .  ?        ?     ?     ?     ?  
 65  1  1  A  66  PRO  A   66  .  ?        ?     ?     ?     ?  
 66  1  1  A  67  GLU  A   67  .  ?        ?     ?     ?     ?  
 67  1  1  A  68  VAL  A   68  .  ?        ?     ?     ?     ?  
 68  1  1  A  69  GLY  A   69  .  ?        ?     ?     ?     ?  
 69  1  1  A  70  GLN  A   70  .  ?        ?     ?     ?     ?  
 70  1  1  A  71  THR  A   71  .  ?        ?     ?     ?     ?  
 71  1  1  A  72  SER  A   72  .  ?        ?     ?     ?     ?  
 72  1  1  A  73  PRO  A   73  .  ?        ?     ?     ?     ?  
 73  1  1  A  74  ASP  A   74  .  ?        ?     ?     ?     ?  
 74  1  1  A  75  TYR  A   75  .  ?        ?     ?     ?     ?  
 75  1  1  A  76  ASP  A   76  .  ?        ?     ?     ?     ?  
 76  1  1  A  77  GLU  A   77  .  ?        ?     ?     ?     ?  
 77  1  1  A  78  ALA  A   78  .  ?        ?     ?     ?     ?  
 78  1  1  A  79  ASN  A   79  .  ?        ?     ?     ?     ?  
 79  1  1  A  80  LEU  A   80  .  ?        ?     ?     ?     ?  
 80  1  1  B   2  SER  B    2  .  ?        ?     ?     ?     ?  
 81  1  1  B   3  THR  B    3  .  ?        ?     ?     ?     ?  
 82  1  1  B   4  PRO  B    4  .  ?        ?     ?     ?     ?  
 83  1  1  B   5  ALA  B    5  .  ?        ?     ?     ?     ?  
 84  1  1  B   6  ASP  B    6  .  ?        ?     ?     ?     ?  
 85  1  1  B   7  ARG  B    7  .  ?        ?     ?     ?     ?  
 86  1  1  B   8  ALA  B    8  .  ?        ?     ?     ?     ?  
 87  1  1  B   9  ARG  B    9  .  ?        ?     ?     ?     ?  
 88  1  1  B  10  LEU  B   10  .  ?        ?     ?     ?     ?  
 89  1  1  B  11  LEU  B   11  .  ?        ?     ?     ?     ?  
 90  1  1  B  12  ILE  B   12  .  ?        ?     ?     ?     ?  
 91  1  1  B  13  LYS  B   13  .  ?        ?     ?     ?     ?  
 92  1  1  B  14  LYS  B   14  .  ?        ?     ?     ?     ?  
 93  1  1  B  15  ILE  B   15  .  ?        ?     ?     ?     ?  
 94  1  1  B  16  GLY  B   16  .  ?        ?     ?     ?     ?  
 95  1  1  B  17  PRO  B   17  .  ?        ?     ?     ?     ?  
 96  1  1  B  18  LYS  B   18  .  ?        ?     ?     ?     ?  
 97  1  1  B  19  LYS  B   19  .  ?        ?     ?     ?     ?  
 98  1  1  B  20  VAL  B   20  .  ?        ?     ?     ?     ?  
 99  1  1  B  21  SER  B   21  .  ?        ?     ?     ?     ?  
100  1  1  B  22  LEU  B   22  .  ?        ?     ?     ?     ?  
101  1  1  B  23  HIS  B   23  .  ?        ?     ?     ?     ?  
102  1  1  B  24  GLY  B   24  .  ?        ?     ?     ?     ?  
103  1  1  B  25  GLY  B   25  .  ?        ?     ?     ?     ?  
104  1  1  B  26  ASP  B   26  .  ?        ?     ?     ?     ?  
105  1  1  B  27  TYR  B   27  .  ?        ?     ?     ?     ?  
106  1  1  B  28  GLU  B   28  .  ?        ?     ?     ?     ?  
107  1  1  B  29  ARG  B   29  .  ?        ?     ?     ?     ?  
108  1  1  B  30  TRP  B   30  .  ?        ?     ?     ?     ?  
109  1  1  B  31  LYS  B   31  .  ?        ?     ?     ?     ?  
110  1  1  B  32  SER  B   32  .  ?        ?     ?     ?     ?  
111  1  1  B  33  VAL  B   33  .  ?        ?     ?     ?     ?  
112  1  1  B  34  SER  B   34  .  ?        ?     ?     ?     ?  
113  1  1  B  40  VAL  B   40  .  ?        ?     ?     ?     ?  
114  1  1  B  41  SER  B   41  .  ?        ?     ?     ?     ?  
115  1  1  B  42  THR  B   42  .  ?        ?     ?     ?     ?  
116  1  1  B  43  GLU  B   43  .  ?        ?     ?     ?     ?  
117  1  1  B  44  GLU  B   44  .  ?        ?     ?     ?     ?  
118  1  1  B  45  ILE  B   45  .  ?        ?     ?     ?     ?  
119  1  1  B  46  ASP  B   46  .  ?        ?     ?     ?     ?  
120  1  1  B  47  VAL  B   47  .  ?        ?     ?     ?     ?  
121  1  1  B  48  LEU  B   48  .  ?        ?     ?     ?     ?  
122  1  1  B  49  VAL  B   49  .  ?        ?     ?     ?     ?  
123  1  1  B  50  LYS  B   50  .  ?        ?     ?     ?     ?  
124  1  1  B  51  ILE  B   51  .  ?        ?     ?     ?     ?  
125  1  1  B  52  PHE  B   52  .  ?        ?     ?     ?     ?  
126  1  1  B  53  PRO  B   53  .  ?        ?     ?     ?     ?  
127  1  1  B  54  ASN  B   54  .  ?        ?     ?     ?     ?  
128  1  1  B  55  TYR  B   55  .  ?        ?     ?     ?     ?  
129  1  1  B  56  ALA  B   56  .  ?        ?     ?     ?     ?  
130  1  1  B  57  LEU  B   57  .  ?        ?     ?     ?     ?  
131  1  1  B  58  TRP  B   58  .  ?        ?     ?     ?     ?  
132  1  1  B  59  ILE  B   59  .  ?        ?     ?     ?     ?  
133  1  1  B  60  ALA  B   60  .  ?        ?     ?     ?     ?  
134  1  1  B  61  SER  B   61  .  ?        ?     ?     ?     ?  
135  1  1  B  62  GLY  B   62  .  ?        ?     ?     ?     ?  
136  1  1  B  63  SER  B   63  .  ?        ?     ?     ?     ?  
137  1  1  B  64  ILE  B   64  .  ?        ?     ?     ?     ?  
138  1  1  B  65  ALA  B   65  .  ?        ?     ?     ?     ?  
139  1  1  B  66  PRO  B   66  .  ?        ?     ?     ?     ?  
140  1  1  B  67  GLU  B   67  .  ?        ?     ?     ?     ?  
141  1  1  B  68  VAL  B   68  .  ?        ?     ?     ?     ?  
142  1  1  B  69  GLY  B   69  .  ?        ?     ?     ?     ?  
143  1  1  B  70  GLN  B   70  .  ?        ?     ?     ?     ?  
144  1  1  B  71  THR  B   71  .  ?        ?     ?     ?     ?  
145  1  1  B  72  SER  B   72  .  ?        ?     ?     ?     ?  
146  1  1  B  73  PRO  B   73  .  ?        ?     ?     ?     ?  
147  1  1  B  74  ASP  B   74  .  ?        ?     ?     ?     ?  
148  1  1  B  75  TYR  B   75  .  ?        ?     ?     ?     ?  
149  1  1  B  76  ASP  B   76  .  ?        ?     ?     ?     ?  
150  1  1  B  77  GLU  B   77  .  ?        ?     ?     ?     ?  
151  1  1  B  78  ALA  B   78  .  ?        ?     ?     ?     ?  
152  1  1  B  79  ASN  B   79  .  ?        ?     ?     ?     ?  
153  1  1  B  80  LEU  B   80  .  ?        ?     ?     ?     ?  
154  1  1  B  81  ASN  B   81  .  ?        ?     ?     ?     ?  
155  1  1  B  82  LEU  B   82  .  ?        ?     ?     ?     ?  
156  1  2  C   .  U5J  A  101  .  ?        ?     3     9     4  
157  1  3  D   .  HOH  A  201  .  ?        ?     ?     ?     ?  
158  1  3  D   .  HOH  A  202  .  ?        ?     ?     ?     ?  
159  1  3  D   .  HOH  A  203  .  ?        ?     ?     ?     ?  
160  1  3  D   .  HOH  A  204  .  ?        ?     ?     ?     ?  
161  1  3  D   .  HOH  A  205  .  ?        ?     ?     ?     ?  
162  1  3  E   .  HOH  B  101  .  ?        ?     ?     ?     ?  
#
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  p             ?       ?  ?           ?     4  40.820     6  0.64     8  0.39  molprobity  1.000  
  2    2  p         -94.3   162.6  Favored     ?     7  31.650     7  0.15    11  0.49  molprobity  1.000  
  3    3  Cg_exo    -54.1   -32.2  Favored     ?     7  23.890     8  0.28    11  0.34  molprobity  1.000  
  4    4  ?         -68.7   -39.2  Favored     ?     5  28.280     5  0.31     7  0.46  molprobity  1.000  
  5    5  m-20      -65.7   -43.5  Favored     ?     4  30.390     8  0.38    11  0.30  molprobity  1.000  
  6    6  mtm-85    -65.3   -42.9  Favored     ?    13  20.710    11  0.33    14  0.64  molprobity  1.000  
  7    7  ?         -60.0   -47.8  Favored     ?     5  24.660     5  0.25     7  0.44  molprobity  1.000  
  8    8  mtm-85    -62.2   -32.4  Favored     ?    13  45.270    11  0.23    14  0.52  molprobity  1.000  
  9    9  tt        -60.1   -38.8  Favored     ?    11  34.280     8  0.22    11  0.58  molprobity  1.000  
 10   10  mt        -78.8   -39.0  Favored     ?    11  26.600     8  0.25    11  0.29  molprobity  1.000  
 11   11  mt        -58.9   -42.2  Favored     ?    11  27.590     8  0.28    11  0.56  molprobity  1.000  
 12   12  mttm      -62.5   -18.5  Favored     ?    13  39.350     9  0.63    11  0.88  molprobity  1.000  
 13   13  OUTLIER  -104.6     5.9  Favored     ?    13  50.190     9  0.76    11  1.67  molprobity  1.000  
 14   14  mm       -120.0   132.3  Favored     ?    11  39.490     8  0.89    11  0.75  molprobity  1.000  
 15   15  ?        -104.7  -175.3  Favored     ?     3  27.960     4  1.72     6  0.89  molprobity  1.000  
 16   16  Cg_exo    -49.3   -33.0  Favored     ?     7  24.380     8  1.84    11  1.24  molprobity  1.000  
 17   17  tttp      -63.7   -58.4  Favored     ?    13  30.640     9  0.81    11  0.65  molprobity  1.000  
 18   18  OUTLIER   -70.7   -28.8  Favored     ?    13  28.690     9  0.96    11  0.91  molprobity  1.000  
 19   19  t         -67.7   -49.4  Favored     ?     9  25.560     7  0.80    10  0.83  molprobity  1.000  
 20   20  m         -65.2   -44.0  Favored     ?     5  22.620     6  1.89     8  0.62  molprobity  1.000  
 21   21  mt        -67.3   -23.7  Favored     ?    11  23.370     8  0.23    11  0.50  molprobity  1.000  
 22   22  m80      -102.7    11.8  Favored     ?     7  28.450    11  0.34    15  0.65  molprobity  1.000  
 23   23  ?          86.8    32.4  Favored     ?     3  32.870     4  0.58     5  0.83  molprobity  1.000  
 24   24  ?        -111.3   161.2  Favored     ?     3  31.270     4  0.26     5  0.41  molprobity  1.000  
 25   25  t0        -78.5   133.7  Favored     ?     4  44.560     8  0.25    11  0.49  molprobity  1.000  
 26   26  t80       -80.1   -30.7  Favored     ?     9  32.440    13  0.33    18  0.51  molprobity  1.000  
 27   27  mm-40     -64.7   -47.6  Favored     ?     6  55.350     9  0.27    12  0.29  molprobity  1.000  
 28   28  ttt85     -58.5   -47.2  Favored     ?    13  37.330    11  0.38    14  1.00  molprobity  1.000  
 29   29  t-105     -51.7   -45.8  Favored     ?    10  24.900    16  0.21    23  0.56  molprobity  1.000  
 30   30  tttt      -66.6   -36.9  Favored     ?    13  55.320     9  0.36    11  0.71  molprobity  1.000  
 31   31  m         -66.7   -34.0  Favored     ?     5  36.130     6  0.22     8  0.34  molprobity  1.000  
 32   32  t         -67.3   -43.5  Favored     ?     9  31.640     7  0.32    10  0.49  molprobity  1.000  
 33   33  t         -53.1   -47.0  Favored     ?     5  37.460     6  0.15     8  0.30  molprobity  1.000  
 34   34  mttt      -72.0   -15.0  Favored     ?    13  47.700     9  0.30    11  0.78  molprobity  1.000  
 35   35  ?          94.0    -2.0  Favored     ?     3  45.510     4  1.18     5  0.74  molprobity  1.000  
 36   36  ?         -62.8   -36.7  Favored     ?     5  51.320     5  0.56     7  0.80  molprobity  1.000  
 37   37  mt       -129.0   147.6  Favored     ?    11  54.890     8  0.67    11  1.40  molprobity  1.000  
 38   38  mtt-85    -60.3   144.0  Favored     ?    13  37.760    11  0.74    14  1.25  molprobity  1.000  
 39   39  t         -71.9   125.3  Favored     ?     9  24.770     7  1.41    10  0.83  molprobity  1.000  
 40   40  p        -106.7  -179.1  Favored     ?     5  22.690     6  0.90     8  0.77  molprobity  1.000  
 41   41  p         -62.4   -26.9  Favored     ?     7  26.860     7  0.80    10  0.68  molprobity  1.000  
 42   42  OUTLIER   -59.6   -42.2  Favored     ?     6  46.780     9  1.17    12  0.75  molprobity  1.000  
 43   43  mp0       -73.6   -36.8  Favored     ?     6  27.560     9  0.59    12  0.73  molprobity  1.000  
 44   44  mm        -64.0   -46.5  Favored     ?    11  28.200     8  0.74    11  0.90  molprobity  1.000  
 45   45  t0        -57.5   -49.0  Favored     ?     4  29.970     8  1.68    11  0.78  molprobity  1.000  
 46   46  t         -64.8   -45.1  Favored     ?     9  19.840     7  1.14    10  0.80  molprobity  1.000  
 47   47  mt        -62.8   -39.8  Favored     ?    11  20.520     8  0.30    11  0.68  molprobity  1.000  
 48   48  t         -75.9   -26.2  Favored     ?     9  22.950     7  0.35    10  0.62  molprobity  1.000  
 49   49  mttt      -65.6   -41.9  Favored     ?    13  37.830     9  0.18    11  0.39  molprobity  1.000  
 50   50  mt        -74.2   -40.9  Favored     ?    11  29.480     8  0.19    11  0.36  molprobity  1.000  
 51   51  m-85     -127.9    71.6  Favored     ?     9  24.590    12  0.43    17  0.42  molprobity  1.000  
 52   52  Cg_endo   -63.7   -27.9  Favored     ?     7  22.120     8  0.28    11  0.21  molprobity  1.000  
 53   53  p-10      -70.2   -15.0  Favored     ?     6  29.140     8  0.18    11  0.63  molprobity  1.000  
 54   54  m-30     -100.6     4.9  Favored     ?     9  24.270    13  0.38    18  0.46  molprobity  1.000  
 55   55  ?         -59.0   -41.0  Favored     ?     5  21.290     5  0.41     7  0.42  molprobity  1.000  
 56   56  tp        -68.5   -45.3  Favored     ?    11  17.660     8  0.28    11  0.57  molprobity  1.000  
 57   57  t90       -62.0   -44.0  Favored     ?    10  20.690    16  0.27    23  0.24  molprobity  1.000  
 58   58  mt        -55.5   -50.2  Favored     ?    11  23.360     8  0.25    11  0.31  molprobity  1.000  
 59   59  ?         -72.3   -39.1  Favored     ?     5  20.100     5  0.26     7  0.41  molprobity  1.000  
 60   60  p        -116.2   -20.1  Favored     ?     5  18.630     6  0.38     8  0.87  molprobity  1.000  
 61   61  ?          76.5    -0.4  Favored     ?     3  26.150     4  0.47     5  0.60  molprobity  1.000  
 62   62  p        -104.4   168.1  Favored     ?     5  30.620     6  0.26     8  0.51  molprobity  1.000  
 63   63  pt       -123.1   163.8  Favored     ?    11  20.020     8  0.13    11  0.48  molprobity  1.000  
 64   64  ?        -147.8    81.3  Favored     ?     5  22.370     5  0.33     8  0.38  molprobity  1.000  
 65   65  Cg_exo    -54.7   -25.2  Favored     ?     7  26.370     8  0.24    11  0.39  molprobity  1.000  
 66   66  mt-10     -57.4   -30.9  Favored     ?     6  46.880     9  0.22    12  0.61  molprobity  1.000  
 67   67  m        -114.8    24.5  Favored     ?     9  26.970     7  0.27    10  0.45  molprobity  1.000  
 68   68  ?          66.6    20.1  Favored     ?     3  21.970     4  0.18     5  0.86  molprobity  1.000  
 69   69  mm-40     -95.7   116.5  Favored     ?     8  22.520     9  0.52    12  0.50  molprobity  1.000  
 70   70  p        -126.0  -167.5  Allowed     ?     7  22.870     7  0.28    10  0.71  molprobity  1.000  
 71   71  p        -134.3   168.2  Favored     ?     5  25.540     6  0.35     9  1.03  molprobity  1.000  
 72   72  Cg_exo    -53.7   -47.3  Favored     ?     7  24.000     8  0.32    11  0.48  molprobity  1.000  
 73   73  m-20      -67.5   -35.3  Favored     ?     4  27.470     8  0.19    11  0.40  molprobity  1.000  
 74   74  t80       -66.5   -47.9  Favored     ?     9  25.710    13  0.29    18  0.31  molprobity  1.000  
 75   75  m-20      -60.6   -43.2  Favored     ?     4  22.390     8  0.32    11  0.57  molprobity  1.000  
 76   76  tp10      -60.9   -41.9  Favored     ?     6  38.910     9  1.64    12  0.71  molprobity  1.000  
 77   77  ?         -72.0   -23.4  Favored     ?     5  27.820     5  1.22     7  0.65  molprobity  1.000  
 78   78  t-20      -90.0    -1.8  Favored     1     6  73.250     8  0.80    11  0.84  molprobity  1.000  
 79   79  mt            ?       ?  ?           ?    11  48.190     7  0.43     8  0.61  molprobity  1.000  
 80   80  p             ?       ?  ?           ?     4  70.300     6  0.73     8  0.26  molprobity  1.000  
 81   81  p         -97.1   163.8  Favored     ?     7  72.140     7  0.20    11  0.54  molprobity  1.000  
 82   82  Cg_exo    -52.7   -27.5  Favored     ?     7  62.260     8  0.27    11  0.40  molprobity  1.000  
 83   83  ?         -68.6   -40.4  Favored     ?     5  57.290     5  0.25     7  0.28  molprobity  1.000  
 84   84  m-20      -66.4   -38.4  Favored     ?     4  61.310     8  0.20    11  0.53  molprobity  1.000  
 85   85  mtm-85    -70.5   -36.4  Favored     ?    13  58.830    11  0.21    14  0.42  molprobity  1.000  
 86   86  ?         -61.4   -46.4  Favored     ?     5  60.290     5  0.27     7  0.38  molprobity  1.000  
 87   87  mtt180    -62.9   -42.1  Favored     ?    13  75.400    11  0.33    14  0.63  molprobity  1.000  
 88   88  tt        -57.7   -44.3  Favored     ?    11  55.520     8  0.25    11  0.63  molprobity  1.000  
 89   89  tp        -62.1   -44.5  Favored     ?    11  44.550     8  0.19    11  0.55  molprobity  1.000  
 90   90  mt        -63.4   -36.9  Favored     ?    11  54.910     8  0.22    11  0.28  molprobity  1.000  
 91   91  mttp      -64.8   -46.0  Favored     ?    13  66.240     9  0.25    11  0.39  molprobity  1.000  
 92   92  tppt?     -81.3   -20.7  Favored     ?    13  76.060     9  0.28    11  0.70  molprobity  1.000  
 93   93  mm        -85.6   -42.6  Favored     ?    11  57.660     8  0.12    11  0.32  molprobity  1.000  
 94   94  ?          96.0   134.2  Favored     ?     3  39.790     4  0.53     6  0.43  molprobity  1.000  
 95   95  Cg_endo   -62.1   -33.4  Favored     ?     7  39.700     8  0.27    11  0.51  molprobity  1.000  
 96   96  tttt      -61.7   -51.3  Favored     ?    13  39.890     9  0.25    11  0.89  molprobity  1.000  
 97   97  mttt      -63.6   -37.3  Favored     ?    13  55.480     9  0.33    11  0.61  molprobity  1.000  
 98   98  t         -59.2   -45.2  Favored     ?     9  29.730     7  0.32    10  0.37  molprobity  1.000  
 99   99  p         -66.8   -25.6  Favored     ?     5  32.740     6  0.21     8  0.40  molprobity  1.000  
100  100  mt        -62.9   -30.3  Favored     ?    11  28.720     8  0.32    11  0.28  molprobity  1.000  
101  101  m-70      -77.3   -55.7  Favored     ?     7  35.130    11  0.26    15  0.47  molprobity  1.000  
102  102  ?        -177.8  -179.0  Favored     ?     3  30.840     4  0.29     5  0.76  molprobity  1.000  
103  103  ?          74.4   158.4  Favored     ?     3  33.230     4  0.28     5  0.63  molprobity  1.000  
104  104  t0        -60.9   125.7  Favored     ?     4  53.330     8  0.18    11  0.45  molprobity  1.000  
105  105  t80       -58.9   -43.8  Favored     ?     9  46.570    13  0.37    18  0.56  molprobity  1.000  
106  106  mm-40     -72.5   -32.0  Favored     ?     6  66.660     9  0.27    12  0.35  molprobity  1.000  
107  107  ttm-85    -60.6   -46.8  Favored     ?    13  47.110    11  0.19    14  1.01  molprobity  1.000  
108  108  m95       -60.2   -48.7  Favored     ?    10  43.760    16  0.20    23  0.41  molprobity  1.000  
109  109  tttt      -54.3   -41.5  Favored     ?    13  70.000     9  0.31    11  0.34  molprobity  1.000  
110  110  m         -65.1   -34.6  Favored     ?     5  70.760     6  0.22     8  0.38  molprobity  1.000  
111  111  t         -65.2   -49.2  Favored     ?     9  62.400     7  0.31    10  0.38  molprobity  1.000  
112  112  t             ?       ?  ?           ?     5  82.230     5  0.18     5  0.38  molprobity  1.000  
113  113  t             ?       ?  ?           ?     8  53.310     7  0.20    10  0.30  molprobity  1.000  
114  114  p         -84.6   158.5  Favored     ?     5  65.440     6  0.24     8  0.52  molprobity  1.000  
115  115  m         -60.2   -25.5  Favored     ?     7  70.260     7  0.18    10  0.43  molprobity  1.000  
116  116  mm-40     -79.2   -21.7  Favored     ?     6  73.980     9  0.19    12  0.64  molprobity  1.000  
117  117  mp0       -67.0   -40.0  Favored     ?     6  59.990     9  0.32    12  0.30  molprobity  1.000  
118  118  mm        -59.5   -48.6  Favored     ?    11  51.000     8  0.20    11  0.32  molprobity  1.000  
119  119  t70       -63.9   -33.8  Favored     ?     4  52.010     8  0.19    11  0.45  molprobity  1.000  
120  120  t         -72.8   -44.4  Favored     ?     9  42.990     7  0.18    10  0.43  molprobity  1.000  
121  121  mt        -61.5   -34.0  Favored     ?    11  32.980     8  0.26    11  0.43  molprobity  1.000  
122  122  t         -74.3   -31.9  Favored     ?     9  40.720     7  0.27    10  0.48  molprobity  1.000  
123  123  mtmt      -69.0   -37.8  Favored     ?    13  47.990     9  0.26    11  0.58  molprobity  1.000  
124  124  mt        -72.9   -43.0  Favored     ?    11  46.190     8  0.24    11  0.46  molprobity  1.000  
125  125  m-85     -122.0    73.9  Favored     ?     9  38.700    12  0.45    17  0.30  molprobity  1.000  
126  126  Cg_endo   -63.5   -26.3  Favored     ?     7  51.470     8  0.27    11  0.27  molprobity  1.000  
127  127  m120      -67.6   -14.2  Favored     ?     6  55.820     8  0.20    11  0.62  molprobity  1.000  
128  128  m-30     -103.0     9.8  Favored     ?     9  35.950    13  0.35    18  0.36  molprobity  1.000  
129  129  ?         -60.3   -49.1  Favored     ?     5  38.750     5  0.24     7  0.37  molprobity  1.000  
130  130  tp        -63.3   -43.9  Favored     ?    11  38.860     8  0.29    11  0.34  molprobity  1.000  
131  131  t90       -65.3   -41.8  Favored     ?    10  35.060    16  0.34    23  0.30  molprobity  1.000  
132  132  mt        -56.5   -51.0  Favored     ?    11  36.820     8  0.23    11  0.35  molprobity  1.000  
133  133  ?         -68.7   -33.5  Favored     ?     5  44.930     5  0.19     7  0.51  molprobity  1.000  
134  134  p        -135.1   -13.3  Favored     ?     5  47.890     6  0.42     8  0.92  molprobity  1.000  
135  135  ?          74.0     1.3  Favored     ?     3  51.860     4  0.43     5  0.83  molprobity  1.000  
136  136  p         -98.8   171.4  Favored     ?     5  53.420     6  0.24     8  0.47  molprobity  1.000  
137  137  pt       -133.5   160.3  Favored     ?    11  43.740     8  0.14    11  0.49  molprobity  1.000  
138  138  ?        -141.0    73.5  Favored     ?     5  43.390     5  0.30     8  0.46  molprobity  1.000  
139  139  Cg_exo    -55.4   -26.8  Favored     ?     7  53.780     8  0.23    11  0.17  molprobity  1.000  
140  140  tt0       -55.1   -31.0  Favored     ?     6  77.660     9  0.24    12  0.34  molprobity  1.000  
141  141  m        -110.0    13.3  Favored     ?     9  57.100     7  0.27    10  0.44  molprobity  1.000  
142  142  ?          77.1    20.9  Favored     ?     3  71.140     4  0.34     5  0.65  molprobity  1.000  
143  143  mm-40     -97.7   114.6  Favored     ?     8  48.310     9  0.33    12  0.52  molprobity  1.000  
144  144  p        -133.7  -171.5  Favored     ?     7  42.190     7  0.28    10  0.47  molprobity  1.000  
145  145  p        -138.1   161.8  Favored     ?     5  43.510     6  0.33     9  0.34  molprobity  1.000  
146  146  Cg_exo    -48.4   -44.5  Favored     ?     7  52.810     8  0.25    11  0.28  molprobity  1.000  
147  147  m-20      -68.8   -38.0  Favored     ?     4  57.550     8  0.25    11  0.47  molprobity  1.000  
148  148  t80       -64.2   -41.9  Favored     ?     9  49.140    13  0.24    18  0.27  molprobity  1.000  
149  149  m-20      -64.0   -39.1  Favored     ?     4  42.780     8  0.20    11  0.35  molprobity  1.000  
150  150  tt0       -63.4   -43.9  Favored     ?     6  68.780     9  0.23    12  0.52  molprobity  1.000  
151  151  ?         -67.8   -29.3  Favored     ?     5  49.190     5  0.23     7  0.30  molprobity  1.000  
152  152  m-80      -99.7    20.8  Favored     ?     6  47.020     8  0.22    11  0.37  molprobity  1.000  
153  153  tp        -53.0   129.0  Favored     ?    11  42.690     8  0.20    11  0.54  molprobity  1.000  
154  154  m-20       71.3     8.9  Favored     ?     6  47.060     8  0.40    11  0.47  molprobity  1.000  
155  155  mt            ?       ?  ?           ?    11  46.320     7  0.15     8  0.22  molprobity  1.000  
156  156  ?             ?       ?  ?           ?     ?  66.980    15  1.92    18  2.93  mogul       1.000  
157  157  ?             ?       ?  ?           ?     ?  17.210     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?   9.230     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?  41.240     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?  27.310     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?  50.600     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?  23.000     ?     ?     ?     ?  ?           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  14  HG22  1  0.49  1.94  
2  19  HG23  1  0.49  1.94  
3  31  HB3   2  0.47  1.94  
4  37  HD12  2  0.47  1.94  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  156  C09  N08  1.41  1.33   5042  0.02   3.33  0.00  
2  156  O10  C09  1.13  1.23  10000  0.02  -4.76  0.00  
3  156  C11  C16  1.36  1.40  10000  0.02  -2.41  0.00  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  156  C04  C07  N08  104.31  112.16     52  2.18  -3.61  2.47  
2  156  C11  C09  N08  130.12  117.36    840  1.96   6.50  0.53  
3  156  O10  C09  N08  110.43  122.61   5041  1.99  -6.11  0.28  
4  156  C13  C12  C11  124.59  119.81  10000  1.89   2.53  0.01  
5  156  O17  C16  C15  118.27  123.97  10000  2.16  -2.64  0.00  
6  156  O17  C16  C11  121.95  117.02   1727  2.30   2.14  0.02  
7  156  O17  C18  C19   99.35  108.59     21  2.69  -3.43  5.87  
8  156  C06  O05  C04  124.10  113.87    225  2.44   4.20  1.00  
9  156  C18  O17  C16  121.83  117.76   2193  1.97   2.07  0.00  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  156  O05  C04  C07  N08   -41.99  20.11   162  16.24  0.10  4.94  
2  156  C04  C07  N08  C09  -175.40  75.90   344  24.76  1.53  3.49  
3  156  N08  C09  C11  C16   -38.72  42.51  1470  35.80  0.42  3.95  
4  156  O10  C09  C11  C16   144.44  43.26  1871  39.68  0.41  4.17  
#
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   6  0.912  0.163   0.194  
  2    2   7  0.958  0.151  -0.016  
  3    3   7  0.948  0.160   0.188  
  4    4   5  0.972  0.149   0.005  
  5    5   8  0.970  0.139  -0.334  
  6    6  11  0.941  0.150  -0.443  
  7    7   5  0.979  0.136  -0.206  
  8    8  11  0.957  0.157  -0.350  
  9    9   8  0.955  0.182   0.230  
 10   10   8  0.967  0.165  -0.047  
 11   11   8  0.949  0.158  -0.132  
 12   12   9  0.941  0.173  -0.316  
 13   13   9  0.897  0.213   0.180  
 14   14   8  0.942  0.182   0.269  
 15   15   4  0.971  0.152   0.099  
 16   16   7  0.979  0.106  -0.656  
 17   17   9  0.952  0.147  -0.638  
 18   18   9  0.926  0.182  -0.204  
 19   19   7  0.926  0.159  -0.015  
 20   20   6  0.975  0.128  -0.349  
 21   21   8  0.929  0.149  -0.308  
 22   22  10  0.720  0.215   0.886  
 23   23   4  0.952  0.144  -0.019  
 24   24   4  0.927  0.145  -0.004  
 25   25   8  0.849  0.210   0.666  
 26   26  12  0.953  0.142  -0.190  
 27   27   9  0.902  0.287   1.221  
 28   28  11  0.907  0.199   0.207  
 29   29  14  0.939  0.150   0.030  
 30   30   9  0.883  0.263   0.799  
 31   31   6  0.919  0.196   0.707  
 32   32   7  0.939  0.139  -0.350  
 33   33   6  0.926  0.165   0.225  
 34   34   9  0.861  0.188  -0.130  
 35   35   4  0.900  0.153   0.113  
 36   36   5  0.909  0.170   0.345  
 37   37   8  0.781  0.300   2.242  
 38   38  11  0.893  0.149  -0.456  
 39   39   7  0.975  0.124  -0.601  
 40   40   6  0.969  0.117  -0.520  
 41   41   7  0.941  0.150  -0.032  
 42   42   9  0.904  0.275   1.072  
 43   43   9  0.881  0.210   0.265  
 44   44   8  0.966  0.180   0.236  
 45   45   8  0.967  0.132  -0.432  
 46   46   7  0.960  0.145  -0.250  
 47   47   8  0.950  0.170   0.034  
 48   48   7  0.936  0.162   0.035  
 49   49   9  0.883  0.183  -0.192  
 50   50   8  0.949  0.180   0.236  
 51   51  11  0.949  0.125  -0.556  
 52   52   7  0.969  0.122  -0.406  
 53   53   8  0.928  0.212   0.764  
 54   54  12  0.977  0.146  -0.120  
 55   55   5  0.947  0.146  -0.044  
 56   56   8  0.955  0.121  -0.765  
 57   57  14  0.947  0.157   0.161  
 58   58   8  0.949  0.152  -0.232  
 59   59   5  0.983  0.125  -0.384  
 60   60   6  0.961  0.124  -0.411  
 61   61   4  0.967  0.146   0.010  
 62   62   6  0.908  0.182   0.489  
 63   63   8  0.946  0.146  -0.333  
 64   64   5  0.955  0.155   0.102  
 65   65   7  0.942  0.156   0.125  
 66   66   9  0.809  0.303   1.420  
 67   67   7  0.947  0.146  -0.233  
 68   68   4  0.962  0.135  -0.151  
 69   69   9  0.961  0.143  -0.449  
 70   70   7  0.948  0.140  -0.195  
 71   71   6  0.944  0.198   0.738  
 72   72   7  0.958  0.136  -0.187  
 73   73   8  0.957  0.148  -0.207  
 74   74  12  0.950  0.159   0.109  
 75   75   8  0.956  0.146  -0.235  
 76   76   9  0.939  0.159  -0.369  
 77   77   5  0.965  0.219   1.139  
 78   78   8  0.702  0.261   1.483  
 79   79   8  0.866  0.195   0.442  
 80   80   6  0.916  0.152   0.023  
 81   81   7  0.888  0.174   0.357  
 82   82   7  0.844  0.167   0.297  
 83   83   5  0.959  0.146  -0.044  
 84   84   8  0.872  0.198   0.497  
 85   85  11  0.885  0.212   0.379  
 86   86   5  0.915  0.162   0.216  
 87   87  11  0.732  0.410   3.005  
 88   88   8  0.940  0.181   0.214  
 89   89   8  0.858  0.189   0.344  
 90   90   8  0.900  0.195   0.487  
 91   91   9  0.798  0.255   0.700  
 92   92   9  0.815  0.353   1.914  
 93   93   8  0.921  0.265   1.657  
 94   94   4  0.951  0.119  -0.387  
 95   95   7  0.897  0.218   1.094  
 96   96   9  0.776  0.223   0.304  
 97   97   9  0.898  0.290   1.134  
 98   98   7  0.924  0.156  -0.065  
 99   99   6  0.961  0.176   0.396  
100  100   8  0.954  0.180   0.197  
101  101  10  0.945  0.144  -0.182  
102  102   4  0.976  0.151   0.084  
103  103   4  0.898  0.176   0.451  
104  104   8  0.812  0.286   1.737  
105  105  12  0.857  0.183   0.531  
106  106   9  0.855  0.153  -0.443  
107  107  11  0.872  0.198   0.194  
108  108  14  0.936  0.136  -0.232  
109  109   9  0.899  0.327   1.592  
110  110   6  0.893  0.292   2.197  
111  111   7  0.895  0.176   0.270  
112  112   6  0.638  0.195   0.691  
113  113   7  0.891  0.242   1.375  
114  114   6  0.744  0.234   1.297  
115  115   7  0.890  0.237   1.380  
116  116   9  0.857  0.361   2.140  
117  117   9  0.929  0.194   0.066  
118  118   8  0.902  0.246   1.339  
119  119   8  0.893  0.152  -0.151  
120  120   7  0.842  0.229   1.157  
121  121   8  0.958  0.117  -0.830  
122  122   7  0.962  0.178   0.303  
123  123   9  0.929  0.184  -0.180  
124  124   8  0.958  0.172   0.102  
125  125  11  0.910  0.156  -0.037  
126  126   7  0.893  0.122  -0.406  
127  127   8  0.903  0.214   0.793  
128  128  12  0.927  0.164   0.197  
129  129   5  0.941  0.151   0.037  
130  130   8  0.916  0.149  -0.308  
131  131  14  0.920  0.168   0.367  
132  132   8  0.955  0.149  -0.283  
133  133   5  0.974  0.116  -0.530  
134  134   6  0.935  0.170   0.303  
135  135   4  0.938  0.152   0.099  
136  136   6  0.912  0.251   1.561  
137  137   8  0.901  0.252   1.440  
138  138   5  0.966  0.098  -0.822  
139  139   7  0.953  0.122  -0.406  
140  140   9  0.862  0.138  -0.630  
141  141   7  0.918  0.129  -0.518  
142  142   4  0.907  0.178   0.481  
143  143   9  0.932  0.172  -0.054  
144  144   7  0.940  0.115  -0.601  
145  145   6  0.883  0.212   0.955  
146  146   7  0.878  0.167   0.297  
147  147   8  0.889  0.212   0.694  
148  148  12  0.831  0.250   1.708  
149  149   8  0.883  0.236   1.032  
150  150   9  0.923  0.218   0.364  
151  151   5  0.932  0.140  -0.141  
152  152   8  0.890  0.175   0.220  
153  153   8  0.942  0.231   1.029  
154  154   8  0.872  0.163   0.044  
155  155   8  0.793  0.242   1.209  
156  156  21  0.952  0.234       ?  
157  157   1  0.967  0.210       ?  
158  158   1  0.991  0.290       ?  
159  159   1  0.894  0.299       ?  
160  160   1  0.948  0.140       ?  
161  161   1  0.580  0.337       ?  
162  162   1  0.900  0.149       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.23.1                                                                Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
