data_3I7X

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3I7X
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3I7X
_pdbx_vrpt_summary.PDB_deposition_date         2009-07-09
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-11-01
_pdbx_vrpt_summary.report_creation_date        2023-10-26:23:35
_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      "Ribonuclease pancreatic"  
2  non-polymer  "CHLORIDE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.6  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   14.87  141614     ?     ?  
 2  2  1   29.19    3518  2.60  2.60  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3455  2.60  2.60  
 5  1  3   33.74  138945     ?     ?  
 6  2  3   59.54    3455  2.60  2.60  
 7  1  4   58.51  127900     ?     ?  
 8  2  4   52.71    3104  2.60  2.60  
 9  1  5   46.99  130704     ?     ?  
10  2  5   79.33    3163  2.60  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   33.74  
4  6  3  A  1  1  A   59.54  
5  7  4  A  1  1  A   58.51  
6  8  4  A  1  1  A   52.71  
#
_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      0.61
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.40
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   964
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1300
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       3.70
_pdbx_vrpt_summary_geometry.clashscore                     15.14
_pdbx_vrpt_summary_geometry.num_H_reduce                   899
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 964
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.40
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1300
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.61
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 118.926
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            36.422
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         17.824
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.77(2.52A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5234
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.241
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.338
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.481
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.315
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.922
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.042
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.51
_pdbx_vrpt_summary_diffraction.EDS_res_low               18.57
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[20.001,20.001,13.646,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.355
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.76% 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          1
_pdbx_vrpt_summary_diffraction.data_completeness         93.57
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      545
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.41
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.42
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.60
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        20.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_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_plane_outliers
  1  1  1  A    1  LYS  A    1  .  ?        2     ?  
  2  1  1  A    2  GLU  A    2  .  ?        ?     ?  
  3  1  1  A    3  THR  A    3  .  ?        ?     ?  
  4  1  1  A    4  ALA  A    4  .  ?        ?     ?  
  5  1  1  A    5  ALA  A    5  .  ?        1     ?  
  6  1  1  A    6  ALA  A    6  .  ?        ?     ?  
  7  1  1  A    7  LYS  A    7  .  ?        ?     ?  
  8  1  1  A    8  PHE  A    8  .  ?        ?     ?  
  9  1  1  A    9  GLU  A    9  .  ?        2     ?  
 10  1  1  A   10  ARG  A   10  .  ?        1     ?  
 11  1  1  A   11  GLN  A   11  .  ?        1     ?  
 12  1  1  A   12  HIS  A   12  .  ?        ?     ?  
 13  1  1  A   13  MET  A   13  .  ?        1     ?  
 14  1  1  A   14  ASP  A   14  .  ?        ?     ?  
 15  1  1  A   15  SER  A   15  .  ?        ?     ?  
 16  1  1  A   16  SER  A   16  .  ?        ?     ?  
 17  1  1  A   17  THR  A   17  .  ?        ?     ?  
 18  1  1  A   18  SER  A   18  .  ?        ?     ?  
 19  1  1  A   19  ALA  A   19  .  ?        ?     ?  
 20  1  1  A   20  ALA  A   20  .  ?        1     ?  
 21  1  1  A   21  SER  A   21  .  ?        ?     ?  
 22  1  1  A   22  SER  A   22  .  ?        ?     ?  
 23  1  1  A   23  SER  A   23  .  ?        ?     ?  
 24  1  1  A   24  ASN  A   24  .  ?        ?     ?  
 25  1  1  A   25  TYR  A   25  .  ?        1     ?  
 26  1  1  A   26  CYS  A   26  .  ?        1     ?  
 27  1  1  A   27  ASN  A   27  .  ?        ?     ?  
 28  1  1  A   28  GLN  A   28  .  ?        1     ?  
 29  1  1  A   29  MET  A   29  .  ?        2     ?  
 30  1  1  A   30  MET  A   30  .  ?        2     ?  
 31  1  1  A   31  LYS  A   31  .  ?        ?     ?  
 32  1  1  A   32  SER  A   32  .  ?        ?     ?  
 33  1  1  A   33  ARG  A   33  .  ?        1     ?  
 34  1  1  A   34  ASN  A   34  .  ?        ?     ?  
 35  1  1  A   35  LEU  A   35  .  ?        1     ?  
 36  1  1  A   36  THR  A   36  .  ?        ?     ?  
 37  1  1  A   37  LYS  A   37  .  ?        ?     ?  
 38  1  1  A   38  ASP  A   38  .  ?        ?     ?  
 39  1  1  A   39  ARG  A   39  .  ?        2     ?  
 40  1  1  A   40  CYS  A   40  .  ?        2     ?  
 41  1  1  A   41  LYS  A   41  .  ?        2     ?  
 42  1  1  A   42  PRO  A   42  .  ?        ?     ?  
 43  1  1  A   43  VAL  A   43  .  ?        ?     ?  
 44  1  1  A   44  ASN  A   44  .  ?        ?     ?  
 45  1  1  A   45  THR  A   45  .  ?        ?     ?  
 46  1  1  A   46  PHE  A   46  .  ?        ?     ?  
 47  1  1  A   47  VAL  A   47  .  ?        ?     ?  
 48  1  1  A   48  HIS  A   48  .  ?        1     ?  
 49  1  1  A   49  GLU  A   49  .  ?        ?     ?  
 50  1  1  A   50  SER  A   50  .  ?        ?     ?  
 51  1  1  A   51  LEU  A   51  .  ?        ?     ?  
 52  1  1  A   52  ALA  A   52  .  ?        ?     ?  
 53  1  1  A   53  ASP  A   53  .  ?        ?     ?  
 54  1  1  A   54  VAL  A   54  .  ?        ?     ?  
 55  1  1  A   55  GLN  A   55  .  ?        ?     ?  
 56  1  1  A   56  ALA  A   56  .  ?        ?     ?  
 57  1  1  A   57  VAL  A   57  .  ?        ?     ?  
 58  1  1  A   58  CYS  A   58  .  ?        ?     ?  
 59  1  1  A   59  SER  A   59  .  ?        ?     ?  
 60  1  1  A   60  GLN  A   60  .  ?        4     ?  
 61  1  1  A   61  LYS  A   61  .  ?        1     ?  
 62  1  1  A   62  ASN  A   62  .  ?        ?     ?  
 63  1  1  A   63  VAL  A   63  .  ?        ?     ?  
 64  1  1  A   64  ALA  A   64  .  ?        ?     ?  
 65  1  1  A   65  CYS  A   65  .  ?        ?     ?  
 66  1  1  A   66  LYS  A   66  .  ?        ?     ?  
 67  1  1  A   67  ASN  A   67  .  ?        2     ?  
 68  1  1  A   68  GLY  A   68  .  ?        ?     ?  
 69  1  1  A   69  GLN  A   69  .  ?        2     ?  
 70  1  1  A   70  THR  A   70  .  ?        ?     ?  
 71  1  1  A   71  ASN  A   71  .  ?        ?     ?  
 72  1  1  A   72  CYS  A   72  .  ?        ?     ?  
 73  1  1  A   73  TYR  A   73  .  ?        1     ?  
 74  1  1  A   74  GLN  A   74  .  ?        ?     ?  
 75  1  1  A   75  SER  A   75  .  ?        ?     ?  
 76  1  1  A   76  TYR  A   76  .  ?        3     ?  
 77  1  1  A   77  SER  A   77  .  ?        ?     ?  
 78  1  1  A   78  THR  A   78  .  ?        ?     ?  
 79  1  1  A   79  MET  A   79  .  ?        ?     ?  
 80  1  1  A   80  SER  A   80  .  ?        1     ?  
 81  1  1  A   81  ILE  A   81  .  ?        ?     ?  
 82  1  1  A   82  THR  A   82  .  ?        ?     ?  
 83  1  1  A   83  ASP  A   83  .  ?        ?     ?  
 84  1  1  A   84  CYS  A   84  .  ?        ?     ?  
 85  1  1  A   85  ARG  A   85  .  ?        ?     ?  
 86  1  1  A   86  GLU  A   86  .  ?        ?     ?  
 87  1  1  A   87  THR  A   87  .  ?        ?     ?  
 88  1  1  A   88  GLY  A   88  .  ?        ?     ?  
 89  1  1  A   89  SER  A   89  .  ?        ?     ?  
 90  1  1  A   90  SER  A   90  .  ?        ?     ?  
 91  1  1  A   91  LYS  A   91  .  ?        ?     ?  
 92  1  1  A   92  TYR  A   92  .  ?        1     ?  
 93  1  1  A   93  PRO  A   93  .  ?        1     ?  
 94  1  1  A   94  ASN  A   94  .  ?        ?     ?  
 95  1  1  A   95  CYS  A   95  .  ?        ?     ?  
 96  1  1  A   96  ALA  A   96  .  ?        ?     ?  
 97  1  1  A   97  TYR  A   97  .  ?        ?     ?  
 98  1  1  A   98  LYS  A   98  .  ?        1     ?  
 99  1  1  A   99  THR  A   99  .  ?        1     ?  
100  1  1  A  100  THR  A  100  .  ?        ?     ?  
101  1  1  A  101  GLN  A  101  .  ?        1     ?  
102  1  1  A  102  ALA  A  102  .  ?        ?     ?  
103  1  1  A  103  ASN  A  103  .  ?        ?     ?  
104  1  1  A  104  LYS  A  104  .  ?        3     ?  
105  1  1  A  105  HIS  A  105  .  ?        ?     ?  
106  1  1  A  106  ALA  A  106  .  ?        ?     ?  
107  1  1  A  107  ILE  A  107  .  ?        1     ?  
108  1  1  A  108  VAL  A  108  .  ?        ?     ?  
109  1  1  A  109  ALA  A  109  .  ?        ?     ?  
110  1  1  A  110  CYS  A  110  .  ?        ?     ?  
111  1  1  A  111  GLU  A  111  .  ?        1     ?  
112  1  1  A  112  GLY  A  112  .  ?        ?     ?  
113  1  1  A  113  ASN  A  113  .  ?        1     ?  
114  1  1  A  114  PRO  A  114  .  ?        1     ?  
115  1  1  A  115  TYR  A  115  .  ?        ?     1  
116  1  1  A  116  VAL  A  116  .  ?        1     ?  
117  1  1  A  117  PRO  A  117  .  ?        1     ?  
118  1  1  A  118  VAL  A  118  .  ?        1     ?  
119  1  1  A  119  HIS  A  119  .  ?        ?     ?  
120  1  1  A  120  PHE  A  120  .  ?        ?     ?  
121  1  1  A  121  ASP  A  121  .  ?        ?     ?  
122  1  1  A  122  ALA  A  122  .  ?        ?     ?  
123  1  1  A  123  SER  A  123  .  ?        ?     ?  
124  1  1  A  124  VAL  A  124  .  ?        1     ?  
125  1  2  B    .  CL   A  125  .  ?        ?     ?  
126  1  2  C    .  CL   A  126  .  ?        ?     ?  
127  1  3  D    .  HOH  A  127  .  ?        ?     ?  
128  1  3  D    .  HOH  A  128  .  ?        ?     ?  
129  1  3  D    .  HOH  A  129  .  ?        ?     ?  
130  1  3  D    .  HOH  A  130  .  ?        ?     ?  
131  1  3  D    .  HOH  A  131  .  ?        ?     ?  
132  1  3  D    .  HOH  A  132  .  ?        ?     ?  
133  1  3  D    .  HOH  A  133  .  ?        ?     ?  
134  1  3  D    .  HOH  A  134  .  ?        ?     ?  
135  1  3  D    .  HOH  A  135  .  ?        ?     ?  
136  1  3  D    .  HOH  A  136  .  ?        ?     ?  
137  1  3  D    .  HOH  A  137  .  ?        ?     ?  
138  1  3  D    .  HOH  A  138  .  ?        ?     ?  
139  1  3  D    .  HOH  A  139  .  ?        ?     ?  
140  1  3  D    .  HOH  A  140  .  ?        ?     ?  
141  1  3  D    .  HOH  A  141  .  ?        ?     ?  
142  1  3  D    .  HOH  A  142  .  ?        ?     ?  
143  1  3  D    .  HOH  A  143  .  ?        ?     ?  
144  1  3  D    .  HOH  A  144  .  ?        ?     ?  
145  1  3  D    .  HOH  A  145  .  ?        ?     ?  
146  1  3  D    .  HOH  A  146  .  ?        ?     ?  
147  1  3  D    .  HOH  A  147  .  ?        ?     ?  
148  1  3  D    .  HOH  A  148  .  ?        ?     ?  
149  1  3  D    .  HOH  A  149  .  ?        ?     ?  
150  1  3  D    .  HOH  A  150  .  ?        ?     ?  
151  1  3  D    .  HOH  A  151  .  ?        ?     ?  
152  1  3  D    .  HOH  A  152  .  ?        ?     ?  
153  1  3  D    .  HOH  A  153  .  ?        ?     ?  
154  1  3  D    .  HOH  A  154  .  ?        ?     ?  
155  1  3  D    .  HOH  A  155  .  ?        ?     ?  
156  1  3  D    .  HOH  A  156  .  ?        ?     ?  
157  1  3  D    .  HOH  A  157  .  ?        ?     ?  
158  1  3  D    .  HOH  A  158  .  ?        ?     ?  
159  1  3  D    .  HOH  A  159  .  ?        ?     ?  
160  1  3  D    .  HOH  A  160  .  ?        ?     ?  
161  1  3  D    .  HOH  A  161  .  ?        ?     ?  
162  1  3  D    .  HOH  A  162  .  ?        ?     ?  
163  1  3  D    .  HOH  A  163  .  ?        1     ?  
164  1  3  D    .  HOH  A  164  .  ?        ?     ?  
165  1  3  D    .  HOH  A  165  .  ?        ?     ?  
166  1  3  D    .  HOH  A  166  .  ?        ?     ?  
167  1  3  D    .  HOH  A  167  .  ?        ?     ?  
168  1  3  D    .  HOH  A  168  .  ?        ?     ?  
#
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.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  mmmt          ?       ?  ?           ?  ?       15  37.720     9  0.70    11  0.46  molprobity  1.000  
  2    2  tt0      -136.4   129.4  Favored     ?  ?        6  23.720     9  0.37    12  0.49  molprobity  1.000  
  3    3  p         -68.1   160.3  Favored     ?  ?        7  16.730     7  0.25    10  0.81  molprobity  1.000  
  4    4  ?         -61.9   -46.2  Favored     ?  ?        5  12.730     5  0.17     7  0.29  molprobity  1.000  
  5    5  ?         -54.4   -51.8  Favored     ?  ?        5  12.260     5  0.23     7  0.37  molprobity  1.000  
  6    6  ?         -61.0   -38.1  Favored     ?  ?        5  11.880     5  0.29     7  0.23  molprobity  1.000  
  7    7  tttm      -67.2   -33.0  Favored     ?  ?       13  17.420     9  0.29    11  0.61  molprobity  1.000  
  8    8  t80       -70.2   -41.0  Favored     ?  ?        9  10.140    12  0.71    16  0.36  molprobity  1.000  
  9    9  mt-10     -62.4   -43.7  Favored     ?  ?        6  15.340     9  0.32    12  0.41  molprobity  1.000  
 10   10  ttp85     -65.5   -47.4  Favored     ?  ?       13  10.650    11  0.48    14  0.52  molprobity  1.000  
 11   11  mt-30     -77.0   -30.7  Favored     ?  ?        8  15.250     9  0.35    12  0.91  molprobity  1.000  
 12   12  m-70     -119.9   -14.8  Favored     ?  ?        7  10.940    11  0.24    15  1.07  molprobity  1.000  
 13   13  mmm       -89.0   127.3  Favored     ?  ?        9  18.220     8  0.45    10  0.80  molprobity  1.000  
 14   14  t0       -150.0    85.4  Allowed     ?  ?        4  20.000     8  0.41    11  0.70  molprobity  1.000  
 15   15  m         -90.5    -5.5  Favored     ?  ?        5  19.470     6  0.20     8  0.47  molprobity  1.000  
 16   16  p         -66.7   -32.0  Favored     ?  ?        5  22.890     6  0.49     8  0.37  molprobity  1.000  
 17   17  p        -121.7   154.4  Favored     ?  ?        7  25.390     7  0.36    10  0.74  molprobity  1.000  
 18   18  p         -84.5   -12.3  Favored     ?  ?        5  28.830     6  0.22     8  0.39  molprobity  1.000  
 19   19  ?        -178.4   174.0  Allowed     ?  ?        5  30.780     5  0.17     7  0.22  molprobity  1.000  
 20   20  ?         -70.2   110.3  Favored     ?  ?        5  32.070     5  0.35     7  0.75  molprobity  1.000  
 21   21  p         -56.8   -65.9  Allowed     ?  ?        5  36.430     6  0.42     8  0.63  molprobity  1.000  
 22   22  p        -124.9  -171.1  Favored     ?  ?        5  31.250     6  0.38     8  0.81  molprobity  1.000  
 23   23  p         -80.7   -11.3  Favored     ?  ?        5  29.610     6  0.35     8  0.64  molprobity  1.000  
 24   24  m120      -93.3    -9.4  Favored     1  ?        6  30.000     8  0.35    11  0.40  molprobity  1.000  
 25   25  t80       -41.4   -62.0  Allowed     ?  ?        9  15.620    13  0.45    18  0.29  molprobity  1.000  
 26   26  m         -57.0   -26.8  Favored     ?  ?        4  19.230     6  0.50     8  0.80  molprobity  1.000  
 27   27  m-20      -69.6   -53.3  Favored     ?  ?        6  23.390     8  0.56    11  0.47  molprobity  1.000  
 28   28  pt20      -75.4   -23.6  Favored     ?  ?        8  36.220     9  0.53    12  0.43  molprobity  1.000  
 29   29  OUTLIER   -77.2   -38.9  Favored     ?  ?        9  40.920     8  0.80    10  0.56  molprobity  1.000  
 30   30  mmm       -65.2   -25.7  Favored     ?  ?        9  22.630     8  0.38    10  0.79  molprobity  1.000  
 31   31  tptt      -80.8   -55.0  Favored     ?  ?       13  30.230     9  0.43    11  0.68  molprobity  1.000  
 32   32  p         -60.1   -28.4  Favored     ?  ?        5  20.190     6  0.42     8  0.45  molprobity  1.000  
 33   33  mmt85     -91.0     9.6  Favored     ?  ?       13  15.210    11  0.27    14  0.40  molprobity  1.000  
 34   34  m-20       61.5    40.6  Favored     ?  ?        6  22.030     8  0.28    11  0.62  molprobity  1.000  
 35   35  mt        -99.9    11.2  Favored     ?  ?       11  23.540     8  0.16    11  0.51  molprobity  1.000  
 36   36  p        -132.9     6.5  Favored     ?  ?        7  32.850     7  0.42    10  0.68  molprobity  1.000  
 37   37  mmtm      -53.1   -61.2  Favored     ?  ?       13  46.380     9  0.48    11  0.49  molprobity  1.000  
 38   38  m-20     -106.1   -21.2  Favored     ?  ?        4  47.370     8  0.42    11  0.63  molprobity  1.000  
 39   39  ttt180   -151.8   163.1  Favored     ?  ?       13  47.400    11  0.32    14  0.58  molprobity  1.000  
 40   40  m         -88.1   119.1  Favored     ?  ?        4  26.650     6  0.34     8  1.15  molprobity  1.000  
 41   41  tptm      -68.1   113.6  Favored     ?  ?       13  21.420     9  0.35    12  1.02  molprobity  1.000  
 42   42  Cg_endo   -53.3   -57.5  Allowed     ?  ?        7  16.660     8  0.22    11  0.44  molprobity  1.000  
 43   43  t        -128.8   141.3  Favored     ?  ?        9  14.300     7  0.24    10  0.68  molprobity  1.000  
 44   44  t30      -155.6   144.9  Favored     ?  ?        6  14.050     8  0.37    11  0.41  molprobity  1.000  
 45   45  m        -120.4   139.4  Favored     ?  ?        7  12.050     7  0.28    10  0.56  molprobity  1.000  
 46   46  m-85     -115.8   134.0  Favored     ?  ?        9   7.910    12  0.74    16  0.50  molprobity  1.000  
 47   47  t        -105.2   126.4  Favored     ?  ?        9   8.130     7  0.40    10  0.60  molprobity  1.000  
 48   48  m-70     -102.3    59.6  Allowed     ?  ?        7  12.700    11  0.25    15  0.29  molprobity  1.000  
 49   49  mm-40    -134.8   171.9  Favored     ?  ?        6  13.410     9  0.36    12  0.89  molprobity  1.000  
 50   50  p         -70.9   148.8  Favored     ?  ?        5  11.400     6  0.59     8  0.73  molprobity  1.000  
 51   51  tp        -54.6   -46.7  Favored     ?  ?       11  14.260     8  0.28    11  0.67  molprobity  1.000  
 52   52  ?         -49.0   -50.3  Favored     ?  ?        5  12.830     5  0.15     7  0.28  molprobity  1.000  
 53   53  m-20      -63.1   -36.9  Favored     ?  ?        4  18.540     8  0.26    11  0.66  molprobity  1.000  
 54   54  t         -73.5   -41.4  Favored     ?  ?        9  12.440     7  0.27    10  0.58  molprobity  1.000  
 55   55  mt-30     -61.2   -36.2  Favored     ?  ?        8  16.580     9  0.33    12  0.36  molprobity  1.000  
 56   56  ?         -60.9   -25.0  Favored     ?  ?        5  11.830     5  0.23     7  0.36  molprobity  1.000  
 57   57  t         -63.1   -16.1  Favored     ?  ?        9  12.450     7  0.33    10  0.51  molprobity  1.000  
 58   58  m         -71.3    -6.2  Favored     ?  ?        4  13.690     6  0.31     8  0.62  molprobity  1.000  
 59   59  p        -123.0    12.3  Favored     ?  ?        5  16.880     6  0.35     8  0.65  molprobity  1.000  
 60   60  OUTLIER   -90.5  -140.1  Allowed     1  ?        8  19.330     9  0.34    12  0.48  molprobity  1.000  
 61   61  tptt      -74.0   118.0  Favored     ?  ?       13  19.300     9  0.31    11  0.78  molprobity  1.000  
 62   62  t30       -80.7   113.1  Favored     ?  ?        6  22.600     8  0.19    11  0.33  molprobity  1.000  
 63   63  m        -123.8   165.0  Favored     ?  ?        9  18.890     7  0.22    10  0.63  molprobity  1.000  
 64   64  ?         -79.7   157.1  Favored     ?  ?        5  17.370     5  0.34     7  0.67  molprobity  1.000  
 65   65  m         -94.7   162.5  Favored     ?  ?        4  21.350     6  0.58     8  1.03  molprobity  1.000  
 66   66  mmtt      -53.8   -44.5  Favored     ?  ?       13  35.360     9  0.37    11  0.59  molprobity  1.000  
 67   67  p-10      -71.1    -1.8  Favored     1  ?        6  32.660     8  0.21    11  0.63  molprobity  1.000  
 68   68  ?          96.9   -15.5  Favored     ?  ?        3  29.560     4  0.24     5  0.62  molprobity  1.000  
 69   69  mt-30     -62.5   141.0  Favored     ?  ?        8  35.930     9  0.28    12  0.22  molprobity  1.000  
 70   70  p         -91.1    23.3  Favored     ?  ?        7  27.920     7  0.32    10  0.93  molprobity  1.000  
 71   71  p-10     -109.1    24.1  Favored     ?  ?        6  22.430     8  0.14    11  0.52  molprobity  1.000  
 72   72  m         -95.7   145.6  Favored     ?  ?        4  17.410     6  0.24     8  1.15  molprobity  1.000  
 73   73  m-85     -128.6   136.7  Favored     ?  ?        9  21.880    13  0.68    18  0.47  molprobity  1.000  
 74   74  tt0      -106.4   139.8  Favored     1  ?        8  20.030     9  0.34    12  0.51  molprobity  1.000  
 75   75  p         -74.3   134.6  Favored     ?  ?        5  16.310     6  0.21     8  0.49  molprobity  1.000  
 76   76  m-30      -55.1   -44.6  Favored     ?  ?        9  16.520    13  0.32    18  0.39  molprobity  1.000  
 77   77  p        -107.9   174.6  Favored     ?  ?        5  13.830     6  0.50     8  0.45  molprobity  1.000  
 78   78  p         -81.6   162.0  Favored     ?  ?        7  11.880     7  0.32    10  0.72  molprobity  1.000  
 79   79  mtt      -136.3   154.6  Favored     ?  ?        9  11.770     8  0.45    10  0.82  molprobity  1.000  
 80   80  t         -71.8   118.4  Favored     ?  ?        5  11.740     6  0.36     8  0.88  molprobity  1.000  
 81   81  mt       -132.6   142.1  Favored     ?  ?       11  12.450     8  0.49    11  0.57  molprobity  1.000  
 82   82  m        -122.2   126.0  Favored     ?  ?        7  17.520     7  0.33    10  0.62  molprobity  1.000  
 83   83  t70      -100.5   135.4  Favored     ?  ?        4  22.450     8  0.37    11  0.60  molprobity  1.000  
 84   84  m        -121.5   119.8  Favored     ?  ?        4  17.000     6  0.33     8  0.51  molprobity  1.000  
 85   85  mtt-85   -134.8   139.6  Favored     ?  ?       13  20.880    11  0.26    14  0.45  molprobity  1.000  
 86   86  mt-10     -61.1   141.2  Favored     ?  ?        6  21.430     9  0.42    12  0.58  molprobity  1.000  
 87   87  p         -88.2   175.2  Favored     ?  ?        7  28.430     7  0.08    10  0.73  molprobity  1.000  
 88   88  ?         -62.0   -32.3  Favored     ?  ?        3  33.740     4  0.32     5  0.20  molprobity  1.000  
 89   89  p         -98.0    42.3  Allowed     ?  ?        5  40.040     6  0.47     8  0.34  molprobity  1.000  
 90   90  t        -108.1   118.2  Favored     ?  ?        5  39.670     6  0.27     8  0.28  molprobity  1.000  
 91   91  tttt     -141.4   132.5  Favored     ?  ?       13  45.580     9  0.43    11  0.43  molprobity  1.000  
 92   92  t80       -61.6   139.8  Favored     ?  Y        9  44.240    13  0.35    19  0.33  molprobity  1.000  
 93   93  Cg_endo   -88.5    15.8  Favored     ?  ?        7  39.770     8  0.39    11  0.79  molprobity  1.000  
 94   94  m120     -101.4    74.3  Allowed     1  ?        6  38.690     8  0.34    11  0.45  molprobity  1.000  
 95   95  m         -76.2   141.9  Favored     ?  ?        4  25.940     6  0.56     8  0.50  molprobity  1.000  
 96   96  ?        -132.0   130.3  Favored     ?  ?        5  19.860     5  0.42     7  0.64  molprobity  1.000  
 97   97  m-85     -121.7   151.3  Favored     ?  ?        9  15.770    13  0.34    18  0.50  molprobity  1.000  
 98   98  tttm      -98.2   122.6  Favored     ?  ?       13  12.780     9  0.38    11  0.94  molprobity  1.000  
 99   99  m         -95.3   122.0  Favored     ?  ?        7  14.900     7  0.25    10  0.74  molprobity  1.000  
100  100  m        -124.5   110.9  Favored     ?  ?        7  15.060     7  0.20    10  0.56  molprobity  1.000  
101  101  tp60      -93.9   144.9  Favored     ?  ?        8  17.480     9  0.42    12  0.54  molprobity  1.000  
102  102  ?        -172.2   169.5  Favored     ?  ?        5  17.670     5  0.23     7  0.55  molprobity  1.000  
103  103  m120     -116.5   105.4  Favored     ?  ?        6  22.790     8  0.36    11  0.34  molprobity  1.000  
104  104  OUTLIER  -137.3   173.3  Favored     ?  ?       13  27.060     9  0.61    11  0.60  molprobity  1.000  
105  105  m80       -78.0   140.4  Favored     ?  ?        7  18.340    11  0.36    15  0.48  molprobity  1.000  
106  106  ?         -97.4   144.7  Favored     ?  ?        5  15.280     5  0.41     7  0.43  molprobity  1.000  
107  107  mt       -124.6   121.2  Favored     ?  ?       11  12.970     8  0.42    11  0.85  molprobity  1.000  
108  108  m        -128.4   166.0  Favored     ?  ?        9  13.620     7  0.22    10  0.82  molprobity  1.000  
109  109  ?        -107.0   136.7  Favored     ?  ?        5  17.410     5  0.24     7  0.87  molprobity  1.000  
110  110  m        -119.9   151.7  Favored     ?  ?        4  22.790     6  0.37     8  0.51  molprobity  1.000  
111  111  pt-20    -169.5   164.0  Favored     ?  ?        6  32.940     9  0.56    12  0.39  molprobity  1.000  
112  112  ?          82.7   176.4  Favored     ?  ?        3  31.050     4  0.34     5  0.54  molprobity  1.000  
113  113  OUTLIER  -132.7   114.7  Favored     1  Y        6  37.960     8  0.48    12  0.61  molprobity  1.000  
114  114  Cg_endo   -61.1   147.4  Favored     ?  ?        7  29.270     8  0.20    11  0.66  molprobity  1.000  
115  115  t80       -78.2   102.6  Favored     ?  ?        9  18.010    13  0.55    18  0.60  molprobity  1.000  
116  116  m        -132.6   170.2  Favored     ?  ?        9  14.820     7  0.46    11  0.55  molprobity  1.000  
117  117  Cg_exo    -63.1   133.6  Favored     ?  ?        7  13.050     8  0.27    11  0.56  molprobity  1.000  
118  118  m        -128.4    -3.3  Favored     ?  ?        9  16.170     7  0.46    10  0.69  molprobity  1.000  
119  119  t-80     -165.6   147.9  Favored     1  ?        7  28.630    11  0.31    15  0.40  molprobity  1.000  
120  120  t80      -106.2   107.5  Favored     ?  ?        9  21.960    12  0.57    16  0.32  molprobity  1.000  
121  121  t70       -73.1   -53.8  Favored     ?  ?        4  23.910     8  0.31    11  0.81  molprobity  1.000  
122  122  ?        -176.1   179.2  Allowed     ?  ?        5  23.300     5  0.30     7  0.48  molprobity  1.000  
123  123  p        -137.2   126.9  Favored     ?  ?        5  26.460     6  0.31     8  0.47  molprobity  1.000  
124  124  t             ?       ?  ?           ?  ?        9  28.340     7  0.58     7  1.04  molprobity  1.000  
125  125  ?             ?       ?  ?           ?  ?        ?  29.720     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?  ?        ?  23.530     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?  ?        ?  15.660     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?  ?        ?  36.460     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?  ?        ?   1.000     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?  ?        ?  39.760     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?  ?        ?  15.180     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?  ?        ?  10.900     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?  ?        ?  20.180     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?  ?        ?   5.310     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?  ?        ?  12.420     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?  ?        ?   5.790     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?  ?        ?  16.150     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  ?        ?   9.610     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  ?        ?   4.770     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?  ?        ?  20.630     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  ?        ?  19.280     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  ?        ?  13.580     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?  ?        ?  31.690     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  ?        ?  29.290     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  ?        ?   3.100     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  ?        ?  27.290     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?  ?        ?  20.080     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?  ?        ?  28.240     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  ?        ?  43.350     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?  ?        ?  18.110     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?  ?        ?  11.750     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?  ?        ?  12.300     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  ?        ?  25.260     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  ?        ?  33.540     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  ?        ?  42.680     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  ?        ?  31.650     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  ?        ?  35.180     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  ?        ?  34.110     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  ?        ?  14.400     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  ?        ?  30.100     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  ?        ?  16.440     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?  ?        ?  24.360     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?  ?        ?  21.420     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?  ?        ?  33.810     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?  ?        ?  21.700     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?  ?        ?  31.580     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?  ?        ?  22.250     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?  ?        ?  43.410     ?     ?     ?     ?  ?           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    1  HB3    1  0.41  1.93  
 2    1  HE3    1  0.41  1.93  
 3    5  O      2  0.49  2.12  
 4    9  HG3    2  0.49  2.12  
 5    9  O      3  0.44  2.17  
 6   10  O      4  0.49  2.43  
 7   11  HG2    5  0.70  1.74  
 8   13  HB2    3  0.44  2.17  
 9   20  HB3    6  0.51  1.92  
10   25  O      7  0.92  1.70  
11   26  HB2    8  0.45  2.17  
12   28  HG3    9  0.47  2.55  
13   29  HG2    7  0.92  1.70  
14   29  SD     9  0.47  2.55  
15   30  CE    10  0.57  2.33  
16   30  HE1   11  0.47  1.96  
17   33  NH1    4  0.49  2.43  
18   35  HD21   5  0.70  1.74  
19   39  HG2   12  0.63  2.12  
20   39  HG2   13  0.51  1.76  
21   40  N     12  0.63  2.12  
22   40  H     13  0.51  1.76  
23   41  HB3   10  0.57  2.33  
24   41  HB3   11  0.47  1.96  
25   48  HB2   14  0.57  1.86  
26   60  HG3   15  0.52  2.45  
27   60  HG3   16  0.46  2.51  
28   60  HG2   17  0.49  1.77  
29   60  HB3   18  0.43  1.60  
30   61  H     18  0.43  1.60  
31   67  ND2   19  0.52  2.25  
32   67  HD22  20  0.42  1.84  
33   69  HG3   19  0.52  2.25  
34   69  HG3   20  0.42  1.84  
35   73  O     21  0.52  2.10  
36   76  CD2   15  0.52  2.45  
37   76  H     17  0.49  1.77  
38   76  CE2   16  0.46  2.51  
39   80  HB3   14  0.57  1.86  
40   92  CD1   22  0.44  2.53  
41   93  HA    22  0.44  2.53  
42   98  HE2   23  0.68  1.93  
43   99  OG1    8  0.45  2.17  
44  101  HB2    6  0.51  1.92  
45  104  HB3   24  0.57  2.24  
46  104  N     25  0.42  2.34  
47  104  HD3   25  0.42  2.34  
48  107  HA    21  0.52  2.10  
49  111  HG2   26  0.44  2.00  
50  113  HD22  27  0.66  1.58  
51  114  HA    27  0.66  1.58  
52  116  HB    28  0.43  2.48  
53  117  CD    28  0.43  2.48  
54  118  HG11  26  0.44  2.00  
55  124  C     24  0.57  2.24  
56  163  O     23  0.68  1.93  
#
_pdbx_vrpt_instance_intra_plane_outliers.ordinal      1
_pdbx_vrpt_instance_intra_plane_outliers.instance_id  115
_pdbx_vrpt_instance_intra_plane_outliers.type         sidechain
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd   0.07
#
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  0.762  0.378   1.796  
  2    2   9  0.956  0.145  -0.740  
  3    3   7  0.951  0.095  -1.082  
  4    4   5  0.953  0.127  -0.579  
  5    5   5  0.982  0.076  -1.317  
  6    6   5  0.954  0.105  -0.897  
  7    7   9  0.927  0.169  -0.587  
  8    8  11  0.974  0.118  -0.932  
  9    9   9  0.973  0.095  -1.342  
 10   10  11  0.956  0.103  -1.263  
 11   11   9  0.957  0.098  -1.216  
 12   12  10  0.966  0.123  -0.730  
 13   13   8  0.952  0.130  -0.630  
 14   14   8  0.958  0.118  -0.806  
 15   15   6  0.941  0.123  -0.595  
 16   16   6  0.945  0.132  -0.469  
 17   17   7  0.955  0.161  -0.120  
 18   18   6  0.893  0.194   0.394  
 19   19   5  0.966  0.147  -0.289  
 20   20   5  0.886  0.160  -0.101  
 21   21   6  0.689  0.303   1.912  
 22   22   6  0.903  0.145  -0.288  
 23   23   6  0.974  0.136  -0.414  
 24   24   8  0.845  0.227   0.694  
 25   25  12  0.964  0.109  -1.021  
 26   26   6  0.969  0.132  -0.249  
 27   27   8  0.935  0.142  -0.474  
 28   28   9  0.792  0.262   0.842  
 29   29   8  0.740  0.360   2.778  
 30   30   8  0.960  0.188   0.230  
 31   31   9  0.884  0.219  -0.017  
 32   32   6  0.942  0.107  -0.818  
 33   33  11  0.973  0.116  -1.101  
 34   34   8  0.957  0.125  -0.707  
 35   35   8  0.956  0.122  -0.989  
 36   36   7  0.908  0.156  -0.192  
 37   37   9  0.853  0.343   1.397  
 38   38   8  0.748  0.332   2.051  
 39   39  11  0.842  0.344   1.742  
 40   40   6  0.965  0.101  -0.763  
 41   41   9  0.958  0.137  -0.952  
 42   42   7  0.941  0.142  -0.358  
 43   43   7  0.959  0.104  -1.136  
 44   44   8  0.975  0.107  -0.955  
 45   45   7  0.967  0.136  -0.484  
 46   46  11  0.965  0.151  -0.457  
 47   47   7  0.974  0.112  -1.019  
 48   48  10  0.951  0.131  -0.615  
 49   49   9  0.967  0.089  -1.414  
 50   50   6  0.939  0.125  -0.567  
 51   51   8  0.959  0.101  -1.287  
 52   52   5  0.980  0.094  -1.056  
 53   53   8  0.952  0.097  -1.087  
 54   54   7  0.941  0.154  -0.403  
 55   55   9  0.938  0.113  -1.028  
 56   56   5  0.970  0.088  -1.143  
 57   57   7  0.963  0.185   0.051  
 58   58   6  0.982  0.096  -0.846  
 59   59   6  0.949  0.129  -0.511  
 60   60   9  0.919  0.201   0.077  
 61   61   9  0.953  0.120  -1.146  
 62   62   8  0.958  0.105  -0.982  
 63   63   7  0.975  0.106  -1.107  
 64   64   5  0.971  0.098  -0.999  
 65   65   6  0.973  0.096  -0.846  
 66   66   9  0.916  0.310   1.021  
 67   67   8  0.894  0.175  -0.021  
 68   68   4  0.961  0.076  -1.124  
 69   69   9  0.883  0.229   0.428  
 70   70   7  0.909  0.179   0.143  
 71   71   8  0.952  0.109  -0.927  
 72   72   6  0.958  0.133  -0.232  
 73   73  12  0.912  0.170  -0.091  
 74   74   9  0.967  0.119  -0.952  
 75   75   6  0.953  0.110  -0.776  
 76   76  12  0.951  0.132  -0.671  
 77   77   6  0.962  0.122  -0.609  
 78   78   7  0.980  0.089  -1.169  
 79   79   8  0.979  0.090  -1.222  
 80   80   6  0.966  0.093  -1.013  
 81   81   8  0.943  0.160  -0.430  
 82   82   7  0.962  0.145  -0.353  
 83   83   8  0.922  0.158  -0.272  
 84   84   6  0.968  0.171   0.398  
 85   85  11  0.901  0.186  -0.228  
 86   86   9  0.924  0.136  -0.848  
 87   87   7  0.954  0.142  -0.397  
 88   88   4  0.923  0.175   0.191  
 89   89   6  0.859  0.251   1.188  
 90   90   6  0.823  0.190   0.338  
 91   91   9  0.868  0.360   1.591  
 92   92  12  0.871  0.255   1.204  
 93   93   7  0.932  0.239   1.037  
 94   94   8  0.815  0.289   1.545  
 95   95   6  0.970  0.101  -0.763  
 96   96   5  0.973  0.098  -0.999  
 97   97  12  0.965  0.137  -0.595  
 98   98   9  0.962  0.142  -0.895  
 99   99   7  0.960  0.132  -0.542  
100  100   7  0.959  0.118  -0.746  
101  101   9  0.923  0.156  -0.488  
102  102   5  0.968  0.124  -0.622  
103  103   8  0.920  0.150  -0.364  
104  104   9  0.915  0.210  -0.120  
105  105  10  0.961  0.089  -1.216  
106  106   5  0.961  0.131  -0.521  
107  107   8  0.963  0.162  -0.400  
108  108   7  0.958  0.201   0.286  
109  109   5  0.971  0.190   0.333  
110  110   6  0.970  0.117  -0.498  
111  111   9  0.826  0.223   0.199  
112  112   4  0.956  0.184   0.311  
113  113   8  0.810  0.333   2.150  
114  114   7  0.936  0.197   0.433  
115  115  12  0.958  0.119  -0.869  
116  116   7  0.965  0.106  -1.107  
117  117   7  0.976  0.110  -0.819  
118  118   7  0.938  0.130  -0.755  
119  119  10  0.869  0.184   0.143  
120  120  11  0.940  0.132  -0.731  
121  121   8  0.952  0.111  -0.900  
122  122   5  0.970  0.111  -0.810  
123  123   6  0.941  0.120  -0.636  
124  124   8  0.929  0.165  -0.242  
125  125   1  0.992  0.075       ?  
126  126   1  0.978  0.112       ?  
127  127   1  0.914  0.318       ?  
128  128   1  0.808  0.320       ?  
129  129   1  0.960  0.067       ?  
130  130   1  0.857  0.718       ?  
131  131   1  0.966  0.185       ?  
132  132   1  0.996  0.085       ?  
133  133   1  0.970  0.343       ?  
134  134   1  0.986  0.133       ?  
135  135   1  0.961  0.123       ?  
136  136   1  0.966  0.080       ?  
137  137   1  0.871  0.252       ?  
138  138   1  0.955  0.135       ?  
139  139   1  0.975  0.095       ?  
140  140   1  0.913  0.116       ?  
141  141   1  0.939  0.164       ?  
142  142   1  0.956  0.126       ?  
143  143   1  0.863  0.298       ?  
144  144   1  0.868  0.376       ?  
145  145   1  0.926  0.129       ?  
146  146   1  0.914  0.307       ?  
147  147   1  0.936  0.343       ?  
148  148   1  0.813  0.238       ?  
149  149   1  0.976  0.141       ?  
150  150   1  0.918  0.170       ?  
151  151   1  0.971  0.114       ?  
152  152   1  0.955  0.105       ?  
153  153   1  0.896  0.268       ?  
154  154   1  0.958  0.115       ?  
155  155   1  0.646  0.207       ?  
156  156   1  0.936  0.186       ?  
157  157   1  0.859  0.528       ?  
158  158   1  0.734  0.333       ?  
159  159   1  0.935  0.223       ?  
160  160   1  0.792  0.183       ?  
161  161   1  0.887  0.149       ?  
162  162   1  0.877  0.230       ?  
163  163   1  0.679  0.232       ?  
164  164   1  0.812  0.174       ?  
165  165   1  0.897  0.170       ?  
166  166   1  0.896  0.138       ?  
167  167   1  0.902  0.185       ?  
168  168   1  0.716  0.415       ?  
#
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          2.36                                                                  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  
##
