data_4S0I

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4S0I
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4S0I
_pdbx_vrpt_summary.PDB_deposition_date         2014-12-31
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-09-14:14:35
_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  "Threonine--tRNA ligase"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.36  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   61.79  141614     ?     ?  
 2  2  1   65.18    1232  2.36  2.36  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1211  2.36  2.36  
 5  1  3   24.16  138945     ?     ?  
 6  2  3   28.30    1212  2.36  2.36  
 7  1  4   63.20  127900     ?     ?  
 8  2  4   73.65    1150  2.36  2.36  
 9  1  5   57.97  130704     ?     ?  
10  2  5   79.80    1164  2.36  2.36  
#
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   24.16  
4  6  3  A  1  1  A   28.30  
5  7  4  A  1  1  A   63.20  
6  8  4  A  1  1  A   73.65  
#
_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      1.01
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.93
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1130
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1523
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       5.00
_pdbx_vrpt_summary_geometry.clashscore                     4.40
_pdbx_vrpt_summary_geometry.num_H_reduce                   1145
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1130
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.93
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1523
_pdbx_vrpt_summary_geometry.angles_RMSZ                    1.01
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 99.243
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            32.599
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         38.984
_pdbx_vrpt_summary_diffraction.I_over_sigma              4.06(2.36A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8045
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.256
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.340
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.464
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.293
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.950
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.36
_pdbx_vrpt_summary_diffraction.EDS_res_low               31.56
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[38.059,39.501,39.518,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.037
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.99% 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         99.79
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      372
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.62
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.14
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.36
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        31.56
_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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
  1  1  1  A    1  MET  A    1  .  ?        ?     ?     ?     ?  
  2  1  1  A    2  ARG  A    2  .  ?        ?     ?     ?     ?  
  3  1  1  A    3  VAL  A    3  .  ?        ?     ?     ?     ?  
  4  1  1  A    4  LEU  A    4  .  ?        ?     ?     ?     ?  
  5  1  1  A    5  LEU  A    5  .  ?        ?     ?     ?     ?  
  6  1  1  A    6  ILE  A    6  .  ?        ?     1     ?     ?  
  7  1  1  A    7  HIS  A    7  .  ?        ?     ?     ?     ?  
  8  1  1  A    8  ALA  A    8  .  ?        ?     ?     ?     ?  
  9  1  1  A    9  ASP  A    9  .  ?        ?     ?     ?     ?  
 10  1  1  A   10  TYR  A   10  .  ?        ?     ?     ?     ?  
 11  1  1  A   11  BIF  A   11  .  ?        ?     ?     3     5  
 12  1  1  A   12  GLU  A   12  .  ?        ?     ?     ?     ?  
 13  1  1  A   13  TYR  A   13  .  ?        ?     ?     ?     ?  
 14  1  1  A   14  GLU  A   14  .  ?        ?     1     ?     ?  
 15  1  1  A   15  VAL  A   15  .  ?        ?     ?     ?     ?  
 16  1  1  A   16  LYS  A   16  .  ?        ?     1     ?     ?  
 17  1  1  A   17  ASP  A   17  .  ?        ?     ?     ?     ?  
 18  1  1  A   18  LYS  A   18  .  ?        ?     ?     ?     ?  
 19  1  1  A   19  ALA  A   19  .  ?        ?     ?     ?     ?  
 20  1  1  A   20  LEU  A   20  .  ?        ?     ?     ?     ?  
 21  1  1  A   21  LYS  A   21  .  ?        ?     ?     ?     ?  
 22  1  1  A   22  ASN  A   22  .  ?        ?     ?     ?     ?  
 23  1  1  A   23  PRO  A   23  .  ?        ?     ?     ?     ?  
 24  1  1  A   24  GLU  A   24  .  ?        ?     ?     ?     ?  
 25  1  1  A   25  PRO  A   25  .  ?        ?     ?     ?     ?  
 26  1  1  A   26  ILE  A   26  .  ?        ?     2     ?     ?  
 27  1  1  A   27  SER  A   27  .  ?        ?     1     ?     ?  
 28  1  1  A   28  GLU  A   28  .  ?        ?     ?     ?     ?  
 29  1  1  A   29  ASP  A   29  A  ?        ?     ?     ?     ?  
 30  1  1  A   29  ASP  A   29  B  ?        ?     ?     ?     ?  
 31  1  1  A   30  MET  A   30  .  ?        ?     1     ?     ?  
 32  1  1  A   31  LYS  A   31  .  ?        ?     ?     ?     ?  
 33  1  1  A   32  ARG  A   32  .  ?        ?     ?     ?     ?  
 34  1  1  A   33  GLY  A   33  .  ?        ?     ?     ?     ?  
 35  1  1  A   34  ARG  A   34  .  ?        ?     ?     ?     ?  
 36  1  1  A   35  MET  A   35  .  ?        ?     ?     ?     ?  
 37  1  1  A   36  GLU  A   36  .  ?        ?     ?     ?     ?  
 38  1  1  A   37  GLU  A   37  .  ?        ?     ?     ?     ?  
 39  1  1  A   38  VAL  A   38  .  ?        ?     ?     ?     ?  
 40  1  1  A   39  LEU  A   39  .  ?        ?     ?     ?     ?  
 41  1  1  A   40  VAL  A   40  .  ?        ?     ?     ?     ?  
 42  1  1  A   41  ALA  A   41  .  ?        ?     ?     ?     ?  
 43  1  1  A   42  PHE  A   42  .  ?        ?     1     ?     ?  
 44  1  1  A   43  ILE  A   43  .  ?        ?     ?     ?     ?  
 45  1  1  A   44  SER  A   44  .  ?        ?     ?     ?     ?  
 46  1  1  A   45  VAL  A   45  .  ?        ?     ?     ?     ?  
 47  1  1  A   46  GLU  A   46  .  ?        ?     ?     ?     ?  
 48  1  1  A   47  LYS  A   47  .  ?        ?     ?     ?     ?  
 49  1  1  A   48  VAL  A   48  .  ?        ?     ?     ?     ?  
 50  1  1  A   49  ASP  A   49  .  ?        ?     ?     ?     ?  
 51  1  1  A   50  GLU  A   50  .  ?        ?     1     ?     ?  
 52  1  1  A   51  LYS  A   51  .  ?        ?     ?     ?     ?  
 53  1  1  A   52  ASN  A   52  .  ?        ?     ?     ?     ?  
 54  1  1  A   53  PRO  A   53  .  ?        ?     ?     ?     ?  
 55  1  1  A   54  GLU  A   54  .  ?        ?     ?     ?     ?  
 56  1  1  A   55  GLU  A   55  .  ?        ?     ?     ?     ?  
 57  1  1  A   56  VAL  A   56  .  ?        ?     ?     ?     ?  
 58  1  1  A   57  SER  A   57  .  ?        ?     ?     ?     ?  
 59  1  1  A   58  LEU  A   58  .  ?        ?     ?     ?     ?  
 60  1  1  A   59  LYS  A   59  .  ?        ?     ?     ?     ?  
 61  1  1  A   60  ALA  A   60  .  ?        ?     ?     ?     ?  
 62  1  1  A   61  ILE  A   61  .  ?        ?     1     ?     ?  
 63  1  1  A   62  GLU  A   62  .  ?        ?     ?     ?     ?  
 64  1  1  A   63  GLU  A   63  .  ?        ?     ?     ?     ?  
 65  1  1  A   64  ILE  A   64  .  ?        ?     ?     ?     ?  
 66  1  1  A   65  SER  A   65  .  ?        ?     ?     ?     ?  
 67  1  1  A   66  LYS  A   66  .  ?        ?     ?     ?     ?  
 68  1  1  A   67  VAL  A   67  .  ?        ?     ?     ?     ?  
 69  1  1  A   68  ALA  A   68  .  ?        ?     ?     ?     ?  
 70  1  1  A   69  GLU  A   69  .  ?        ?     ?     ?     ?  
 71  1  1  A   70  GLN  A   70  .  ?        ?     ?     ?     ?  
 72  1  1  A   71  VAL  A   71  .  ?        ?     ?     ?     ?  
 73  1  1  A   72  LYS  A   72  .  ?        ?     ?     ?     ?  
 74  1  1  A   73  ALA  A   73  .  ?        ?     ?     ?     ?  
 75  1  1  A   74  GLU  A   74  .  ?        ?     ?     ?     ?  
 76  1  1  A   75  ASN  A   75  .  ?        ?     ?     ?     ?  
 77  1  1  A   76  VAL  A   76  .  ?        ?     ?     ?     ?  
 78  1  1  A   77  PHE  A   77  .  ?        ?     ?     ?     ?  
 79  1  1  A   78  VAL  A   78  .  ?        ?     ?     ?     ?  
 80  1  1  A   79  SER  A   79  .  ?        ?     ?     ?     ?  
 81  1  1  A   80  PRO  A   80  .  ?        ?     ?     ?     ?  
 82  1  1  A   81  TRP  A   81  .  ?        ?     ?     ?     ?  
 83  1  1  A   82  ALA  A   82  .  ?        ?     ?     ?     ?  
 84  1  1  A   83  HIS  A   83  .  ?        ?     ?     ?     ?  
 85  1  1  A   84  LEU  A   84  .  ?        ?     ?     ?     ?  
 86  1  1  A   85  SER  A   85  .  ?        ?     ?     ?     ?  
 87  1  1  A   86  SER  A   86  .  ?        ?     ?     ?     ?  
 88  1  1  A   87  GLU  A   87  .  ?        ?     ?     ?     ?  
 89  1  1  A   88  LEU  A   88  .  ?        ?     ?     ?     ?  
 90  1  1  A   89  ALA  A   89  .  ?        ?     ?     ?     ?  
 91  1  1  A   90  LYS  A   90  .  ?        ?     ?     ?     ?  
 92  1  1  A   91  PRO  A   91  .  ?        ?     ?     ?     ?  
 93  1  1  A   92  SER  A   92  .  ?        ?     ?     ?     ?  
 94  1  1  A   93  VAL  A   93  .  ?        ?     1     ?     ?  
 95  1  1  A   94  ALA  A   94  .  ?        ?     ?     ?     ?  
 96  1  1  A   95  MET  A   95  .  ?        ?     3     ?     ?  
 97  1  1  A   96  ASP  A   96  .  ?        ?     ?     ?     ?  
 98  1  1  A   97  ILE  A   97  .  ?        ?     ?     ?     ?  
 99  1  1  A   98  LEU  A   98  .  ?        ?     ?     ?     ?  
100  1  1  A   99  ASN  A   99  .  ?        ?     ?     ?     ?  
101  1  1  A  100  ARG  A  100  .  ?        ?     ?     ?     ?  
102  1  1  A  101  VAL  A  101  .  ?        ?     1     ?     ?  
103  1  1  A  102  TYR  A  102  .  ?        ?     ?     ?     ?  
104  1  1  A  103  GLN  A  103  .  ?        ?     ?     ?     ?  
105  1  1  A  104  GLY  A  104  .  ?        ?     1     ?     ?  
106  1  1  A  105  LEU  A  105  .  ?        1     1     ?     ?  
107  1  1  A  106  LYS  A  106  .  ?        ?     ?     ?     ?  
108  1  1  A  107  GLU  A  107  .  ?        ?     ?     ?     ?  
109  1  1  A  108  ARG  A  108  .  ?        ?     ?     ?     ?  
110  1  1  A  109  GLY  A  109  .  ?        ?     ?     ?     ?  
111  1  1  A  110  PHE  A  110  .  ?        ?     ?     ?     ?  
112  1  1  A  111  ASN  A  111  .  ?        ?     ?     ?     ?  
113  1  1  A  112  VAL  A  112  .  ?        ?     ?     ?     ?  
114  1  1  A  113  GLY  A  113  .  ?        ?     ?     ?     ?  
115  1  1  A  114  LYS  A  114  .  ?        ?     ?     ?     ?  
116  1  1  A  115  ALA  A  115  .  ?        ?     ?     ?     ?  
117  1  1  A  116  PRO  A  116  .  ?        ?     ?     ?     ?  
118  1  1  A  117  PHE  A  117  .  ?        ?     3     ?     ?  
119  1  1  A  118  GLY  A  118  .  ?        ?     ?     ?     ?  
120  1  1  A  119  TYR  A  119  .  ?        ?     ?     ?     ?  
121  1  1  A  120  TYR  A  120  .  ?        ?     ?     ?     ?  
122  1  1  A  121  ILE  A  121  .  ?        ?     ?     ?     ?  
123  1  1  A  122  ALA  A  122  .  ?        ?     ?     ?     ?  
124  1  1  A  123  ALA  A  123  .  ?        ?     ?     ?     ?  
125  1  1  A  124  LYS  A  124  .  ?        ?     ?     ?     ?  
126  1  1  A  125  ILE  A  125  .  ?        ?     ?     ?     ?  
127  1  1  A  126  SER  A  126  .  ?        ?     ?     ?     ?  
128  1  1  A  127  CYS  A  127  .  ?        ?     ?     ?     ?  
129  1  1  A  128  LYS  A  128  .  ?        ?     ?     ?     ?  
130  1  1  A  129  GLY  A  129  .  ?        ?     ?     ?     ?  
131  1  1  A  130  HIS  A  130  .  ?        ?     ?     ?     ?  
132  1  1  A  131  PRO  A  131  .  ?        ?     ?     ?     ?  
133  1  1  A  132  LEU  A  132  .  ?        ?     ?     ?     ?  
134  1  1  A  133  ALA  A  133  .  ?        ?     ?     ?     ?  
135  1  1  A  134  GLU  A  134  .  ?        ?     ?     ?     ?  
136  1  1  A  135  LEU  A  135  .  ?        ?     ?     ?     ?  
137  1  1  A  136  SER  A  136  .  ?        ?     ?     ?     ?  
138  1  1  A  137  ARG  A  137  .  ?        ?     ?     ?     ?  
139  1  1  A  138  THR  A  138  .  ?        ?     ?     ?     ?  
140  1  1  A  139  ILE  A  139  .  ?        ?     ?     ?     ?  
141  1  1  A  140  VAL  A  140  .  ?        ?     ?     ?     ?  
142  1  1  A  141  PRO  A  141  .  ?        ?     ?     ?     ?  
143  1  2  B    .  HOH  A  201  .  ?        ?     ?     ?     ?  
144  1  2  B    .  HOH  A  202  .  ?        ?     ?     ?     ?  
145  1  2  B    .  HOH  A  203  .  ?        ?     ?     ?     ?  
146  1  2  B    .  HOH  A  204  .  ?        ?     ?     ?     ?  
147  1  2  B    .  HOH  A  205  .  ?        ?     ?     ?     ?  
148  1  2  B    .  HOH  A  206  .  ?        ?     ?     ?     ?  
149  1  2  B    .  HOH  A  207  .  ?        ?     ?     ?     ?  
150  1  2  B    .  HOH  A  208  .  ?        ?     ?     ?     ?  
151  1  2  B    .  HOH  A  209  .  ?        ?     ?     ?     ?  
152  1  2  B    .  HOH  A  210  .  ?        ?     ?     ?     ?  
153  1  2  B    .  HOH  A  211  .  ?        ?     ?     ?     ?  
154  1  2  B    .  HOH  A  212  .  ?        ?     ?     ?     ?  
155  1  2  B    .  HOH  A  213  .  ?        ?     ?     ?     ?  
#
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  ttm           ?       ?  ?          11  34.020     8  0.80    10  0.67  molprobity  1.000  
  2    2  mmt85    -122.3   140.1  Favored    13  48.060    11  1.41    14  1.39  molprobity  1.000  
  3    3  t        -136.0   140.0  Favored     9  30.500     7  0.64    10  0.94  molprobity  1.000  
  4    4  tp       -122.5   130.0  Favored    11  28.330     8  1.04    11  1.36  molprobity  1.000  
  5    5  mt       -115.6   122.4  Favored    11  26.920     8  1.33    11  0.97  molprobity  1.000  
  6    6  mt       -122.7   117.4  Favored    11  27.780     8  0.44    11  0.64  molprobity  1.000  
  7    7  t-160     -80.1   115.4  Favored     7  25.740    11  0.64    15  0.54  molprobity  1.000  
  8    8  ?        -122.1   146.4  Favored     5  22.920     5  0.93     7  1.20  molprobity  1.000  
  9    9  m-20      -65.0   -45.7  Favored     4  26.800     8  0.66    11  0.72  molprobity  1.000  
 10   10  p90      -148.4   159.3  Favored     9  26.940    12  1.94    15  0.98  molprobity  1.000  
 11   11  ?             ?       ?  ?          12  25.940    16  1.43    16  1.89  mogul       1.000  
 12   12  tt0      -129.3   143.0  Favored     6  37.010     9  1.59    12  0.64  molprobity  1.000  
 13   13  p90      -138.0   157.3  Favored     9  26.080    13  0.92    18  1.01  molprobity  1.000  
 14   14  tt0      -138.3   121.3  Favored     6  43.250     9  1.07    12  0.78  molprobity  1.000  
 15   15  t         -65.7   129.0  Favored     9  34.220     7  0.71    10  0.82  molprobity  1.000  
 16   16  mmpt?    -108.1  -131.8  Allowed    13  44.270     9  0.60    11  1.07  molprobity  1.000  
 17   17  m-20      -72.2   158.6  Favored     4  43.620     8  1.01    11  1.12  molprobity  1.000  
 18   18  pttt      -70.0   136.5  Favored    13  44.360     9  0.99    11  0.99  molprobity  1.000  
 19   19  ?         -98.5   -21.3  Favored     5  38.270     5  0.63     7  0.54  molprobity  1.000  
 20   20  mt       -115.8   158.6  Favored    11  48.850     8  1.04    11  1.72  molprobity  1.000  
 21   21  mttt      -68.9   -36.9  Favored    13  56.000     9  0.57    11  0.50  molprobity  1.000  
 22   22  m-80     -121.4    79.6  Favored     6  38.830     8  0.77    12  1.09  molprobity  1.000  
 23   23  Cg_endo   -84.5  -178.1  Favored     7  39.400     8  0.62    11  0.75  molprobity  1.000  
 24   24  tt0       -64.0   126.5  Favored     6  46.200     9  1.31    13  1.15  molprobity  1.000  
 25   25  Cg_endo   -71.6   156.8  Favored     7  41.300     8  0.77    11  0.48  molprobity  1.000  
 26   26  pt       -153.6   140.5  Favored    11  47.150     8  0.97    11  1.17  molprobity  1.000  
 27   27  p         -74.6   168.7  Favored     5  58.990     6  0.65     8  0.63  molprobity  1.000  
 28   28  tp10      -54.3   -41.9  Favored     6  68.050     9  0.60    12  0.33  molprobity  1.000  
 29   29  m-20      -74.2    -3.7  Favored     4  60.800     8  0.81    11  1.01  molprobity  1.000  
 30   30  m-20      -74.2    -3.7  Favored     4  60.800     8  0.81    11  1.01  molprobity  1.000  
 31   31  mtp       -97.7    -0.9  Favored     8  52.960     8  0.53    10  1.53  molprobity  1.000  
 32   32  mttt      -72.0   -22.4  Favored    13  47.670     9  0.61    11  0.97  molprobity  1.000  
 33   33  mtt85    -140.7   149.7  Favored    13  52.860    11  0.97    14  1.61  molprobity  1.000  
 34   34  ?        -163.2   154.8  Favored     3  30.510     4  0.59     5  1.29  molprobity  1.000  
 35   35  ttt85    -148.8   140.6  Favored    13  35.490    11  1.08    14  1.57  molprobity  1.000  
 36   36  mtp      -136.7   157.7  Favored     9  32.920     8  0.72    10  1.09  molprobity  1.000  
 37   37  mt-10    -120.0   160.3  Favored     6  39.530     9  0.98    12  0.90  molprobity  1.000  
 38   38  mm-40      46.5    59.9  Favored     6  32.200     9  1.75    12  1.23  molprobity  1.000  
 39   39  p        -129.3   138.3  Favored     9  25.790     7  0.78    10  1.06  molprobity  1.000  
 40   40  tp        -88.6   110.7  Favored    11  20.600     8  0.66    11  1.25  molprobity  1.000  
 41   41  t         -90.2   131.1  Favored     9  20.610     7  0.85    10  1.05  molprobity  1.000  
 42   42  ?        -112.9   103.0  Favored     5  22.490     5  1.23     7  0.71  molprobity  1.000  
 43   43  m-85      -90.3   117.1  Favored     9  25.350    12  1.04    16  0.64  molprobity  1.000  
 44   44  mt       -121.4   127.5  Favored    11  28.050     8  0.49    11  0.86  molprobity  1.000  
 45   45  t        -116.2   100.2  Favored     5  36.870     6  0.78     8  1.40  molprobity  1.000  
 46   46  t         -78.5   134.0  Favored     9  37.560     7  0.64    10  0.83  molprobity  1.000  
 47   47  mt-10    -110.4   165.1  Favored     6  48.050     9  0.81    12  0.58  molprobity  1.000  
 48   48  OUTLIER   -48.7   -48.0  Favored    13  57.810     9  0.64    11  0.74  molprobity  1.000  
 49   49  m         -63.0   -24.4  Favored     9  53.420     7  1.04    10  0.80  molprobity  1.000  
 50   50  m-20      -69.0   -21.4  Favored     4  44.250     8  0.98    11  0.63  molprobity  1.000  
 51   51  mt-10     -53.3   -32.4  Favored     6  61.220     9  1.32    12  0.65  molprobity  1.000  
 52   52  mttt      -64.5   -32.7  Favored    13  79.380     9  0.58    11  1.09  molprobity  1.000  
 53   53  t-20     -149.4    69.8  Favored     6  63.090     8  0.56    12  0.59  molprobity  1.000  
 54   54  Cg_exo    -39.8   -51.0  Favored     7  51.510     8  0.88    11  0.52  molprobity  1.000  
 55   55  pm0       -72.3   -39.7  Favored     6  61.030     9  1.02    12  1.06  molprobity  1.000  
 56   56  tt0       -65.5   -47.7  Favored     6  59.010     9  1.00    12  0.75  molprobity  1.000  
 57   57  t         -58.8   -42.4  Favored     9  42.070     7  0.92    10  0.93  molprobity  1.000  
 58   58  m         -64.0   -43.9  Favored     5  35.490     6  1.04     8  0.81  molprobity  1.000  
 59   59  mt        -61.8   -45.1  Favored    11  42.610     8  0.78    11  1.16  molprobity  1.000  
 60   60  mttt      -60.8   -46.2  Favored    13  49.220     9  0.65    11  0.69  molprobity  1.000  
 61   61  ?         -61.0   -43.0  Favored     5  30.100     5  0.72     7  0.32  molprobity  1.000  
 62   62  mt        -51.1   -51.8  Favored    11  28.560     8  0.80    11  0.79  molprobity  1.000  
 63   63  tp10      -64.4   -49.3  Favored     6  43.830     9  1.31    12  1.29  molprobity  1.000  
 64   64  mm-40     -60.1   -42.0  Favored     6  40.190     9  0.67    12  0.52  molprobity  1.000  
 65   65  mt        -66.8   -41.5  Favored    11  24.300     8  0.37    11  0.34  molprobity  1.000  
 66   66  m         -62.0   -49.9  Favored     5  28.120     6  0.67     8  0.53  molprobity  1.000  
 67   67  mttt      -52.1   -44.8  Favored    13  46.150     9  0.72    11  1.31  molprobity  1.000  
 68   68  t         -67.8   -38.8  Favored     9  27.880     7  1.08    10  0.28  molprobity  1.000  
 69   69  ?         -67.0   -40.5  Favored     5  30.760     5  1.17     7  0.40  molprobity  1.000  
 70   70  mt-10     -64.9   -48.1  Favored     6  36.970     9  1.38    12  0.82  molprobity  1.000  
 71   71  tt0       -61.4   -40.7  Favored     8  45.070     9  1.18    12  1.09  molprobity  1.000  
 72   72  m         -87.9    -0.8  Favored     9  31.480     7  0.92    10  0.75  molprobity  1.000  
 73   73  mttp       65.7    42.9  Favored    13  47.130     9  0.24    11  1.00  molprobity  1.000  
 74   74  ?         -99.7   125.9  Favored     5  35.170     5  0.46     7  1.09  molprobity  1.000  
 75   75  mt-10     -91.4   -19.0  Favored     6  46.130     9  0.62    12  0.71  molprobity  1.000  
 76   76  m-20     -110.1   133.1  Favored     6  30.840     8  1.20    11  0.40  molprobity  1.000  
 77   77  t        -133.4   139.5  Favored     9  24.450     7  0.73    10  0.99  molprobity  1.000  
 78   78  t80      -124.6   133.3  Favored     9  26.520    12  0.95    16  0.64  molprobity  1.000  
 79   79  t        -101.6   116.8  Favored     9  27.000     7  0.79    10  0.92  molprobity  1.000  
 80   80  OUTLIER  -118.6   130.8  Favored     5  34.990     6  0.91     9  1.03  molprobity  1.000  
 81   81  OUTLIER   -68.4   146.3  Favored     7  41.470     8  0.67    11  1.06  molprobity  1.000  
 82   82  t-105    -156.8   107.9  Favored    10  59.790    16  0.81    23  0.66  molprobity  1.000  
 83   83  ?         -75.4     9.1  Favored     5  66.170     5  0.63     7  0.67  molprobity  1.000  
 84   84  m-70     -121.1    33.7  Favored     7  65.690    11  0.33    15  0.46  molprobity  1.000  
 85   85  mt       -125.0     7.2  Favored    11  61.700     8  0.59    11  0.53  molprobity  1.000  
 86   86  t        -161.0   151.6  Favored     5  64.970     6  0.43     8  0.78  molprobity  1.000  
 87   87  p        -101.8   -26.2  Favored     5  68.410     6  0.57     8  0.68  molprobity  1.000  
 88   88  ?         -95.1    82.0  Favored     2  60.000     5  0.15     7  0.57  molprobity  1.000  
 89   89  mt        -90.2   142.8  Favored    11  59.250     8  1.13    11  1.36  molprobity  1.000  
 90   90  ?         -65.2   147.7  Favored     5  45.440     5  0.58     7  0.78  molprobity  1.000  
 91   91  pttp      -62.2   148.8  Favored    13  49.990     9  0.59    12  1.17  molprobity  1.000  
 92   92  Cg_exo    -51.8   -34.6  Favored     7  32.680     8  0.78    11  0.92  molprobity  1.000  
 93   93  p         -60.3   -44.2  Favored     5  34.320     6  1.21     8  0.51  molprobity  1.000  
 94   94  t         -70.0   -42.1  Favored     9  39.740     7  0.99    10  1.01  molprobity  1.000  
 95   95  ?         -58.4   -47.2  Favored     5  34.570     5  0.52     7  0.44  molprobity  1.000  
 96   96  mtt       -72.4   -32.9  Favored     9  38.980     8  0.81    10  1.48  molprobity  1.000  
 97   97  t0        -56.4   -53.6  Favored     4  33.400     8  0.77    11  1.25  molprobity  1.000  
 98   98  mt        -72.6   -45.3  Favored    11  33.000     8  0.65    11  0.83  molprobity  1.000  
 99   99  mt        -55.2   -48.2  Favored    11  34.220     8  0.59    11  0.99  molprobity  1.000  
100  100  t30       -61.3   -40.7  Favored     6  32.260     8  1.10    11  0.77  molprobity  1.000  
101  101  mtt-85    -60.0   -47.1  Favored    13  37.150    11  0.65    14  0.63  molprobity  1.000  
102  102  t         -62.1   -40.3  Favored     9  28.530     7  0.85    10  0.46  molprobity  1.000  
103  103  t80       -59.9   -50.5  Favored     9  28.620    13  1.51    18  0.86  molprobity  1.000  
104  104  mm-40     -61.0   -43.6  Favored     8  38.150     9  0.59    12  1.01  molprobity  1.000  
105  105  ?         -69.5   -28.7  Favored     3  30.610     4  0.95     5  1.34  molprobity  1.000  
106  106  OUTLIER   -73.2   -35.4  Favored    11  27.560     8  1.07    11  2.61  molprobity  1.000  
107  107  mtpt      -59.7   -50.8  Favored    13  39.710     9  0.58    11  1.17  molprobity  1.000  
108  108  tt0       -49.9   -33.3  Favored     6  40.850     9  1.19    12  0.97  molprobity  1.000  
109  109  mmt85     -73.5   -22.3  Favored    13  38.900    11  0.81    14  1.64  molprobity  1.000  
110  110  ?         120.1     7.2  Favored     3  35.280     4  0.44     5  0.66  molprobity  1.000  
111  111  m-85      -82.5   153.2  Favored     9  32.040    12  1.05    16  0.85  molprobity  1.000  
112  112  t30       -80.4   112.2  Favored     6  36.300     8  1.33    11  1.26  molprobity  1.000  
113  113  t        -112.2   136.2  Favored     9  29.550     7  0.98    10  1.30  molprobity  1.000  
114  114  ?        -124.4   161.2  Favored     3  27.930     4  1.42     5  1.32  molprobity  1.000  
115  115  OUTLIER  -144.0   168.8  Favored    13  41.180     9  0.66    11  1.39  molprobity  1.000  
116  116  ?        -111.7   148.4  Favored     5  38.390     5  0.99     8  0.76  molprobity  1.000  
117  117  Cg_endo   -58.8   148.6  Favored     7  41.580     8  0.80    11  0.79  molprobity  1.000  
118  118  t80       -94.8   146.1  Favored     9  43.870    12  1.13    16  0.78  molprobity  1.000  
119  119  ?          87.3    25.5  Favored     3  35.330     4  0.48     5  0.89  molprobity  1.000  
120  120  m-85     -127.6   153.0  Favored     9  31.210    13  1.14    18  0.99  molprobity  1.000  
121  121  m-85      -75.7   135.1  Favored     9  37.390    13  1.21    18  2.02  molprobity  1.000  
122  122  mt       -132.5   126.1  Favored    11  28.760     8  0.74    11  1.11  molprobity  1.000  
123  123  ?         -77.3   143.0  Favored     5  26.620     5  0.58     7  0.46  molprobity  1.000  
124  124  ?        -150.3   157.6  Favored     5  28.980     5  1.14     7  0.92  molprobity  1.000  
125  125  ptpt     -133.8   145.4  Favored    13  35.370     9  1.06    11  0.98  molprobity  1.000  
126  126  tt       -147.3   144.7  Favored    11  27.750     8  0.61    11  0.85  molprobity  1.000  
127  127  t        -117.4   114.8  Favored     5  25.030     6  1.27     8  1.12  molprobity  1.000  
128  128  m         -89.8   128.9  Favored     5  32.590     6  1.28     8  0.54  molprobity  1.000  
129  129  mttm      -59.4   -35.8  Favored    13  33.140     9  0.98    11  1.78  molprobity  1.000  
130  130  ?          79.1     4.6  Favored     3  34.830     4  1.62     5  1.62  molprobity  1.000  
131  131  p80       -80.7   169.3  Favored     7  33.820    11  0.49    16  0.67  molprobity  1.000  
132  132  Cg_exo    -58.4   -26.1  Favored     7  36.210     8  0.91    11  1.00  molprobity  1.000  
133  133  mt       -104.6    16.3  Favored    11  36.930     8  1.24    11  0.74  molprobity  1.000  
134  134  ?         -76.3   -16.0  Favored     5  31.020     5  1.05     7  0.79  molprobity  1.000  
135  135  OUTLIER  -144.0   109.2  Favored     6  50.720     9  0.94    12  1.06  molprobity  1.000  
136  136  mt       -130.9   148.2  Favored    11  35.100     8  1.07    11  1.29  molprobity  1.000  
137  137  p        -123.7   149.3  Favored     5  35.080     6  0.84     8  1.16  molprobity  1.000  
138  138  mmt-85   -136.8   146.7  Favored    13  39.510    11  1.02    14  1.73  molprobity  1.000  
139  139  m        -117.6   129.2  Favored     7  49.230     7  0.54    10  0.71  molprobity  1.000  
140  140  mt       -125.2   122.7  Favored    11  59.200     8  0.47    11  0.54  molprobity  1.000  
141  141  m        -131.7   162.1  Favored     9  97.260     7  0.74    11  0.74  molprobity  1.000  
142  142  Cg_exo        ?       ?  ?           7  95.490     7  0.56     8  0.16  molprobity  1.000  
143  143  ?             ?       ?  ?           ?  31.370     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  26.930     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  38.040     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  42.210     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?  45.100     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?  43.320     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  50.330     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?  33.760     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?  32.580     ?     ?     ?     ?  ?           0.500  
152  152  ?             ?       ?  ?           ?  44.320     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  30.690     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  33.760     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  33.110     ?     ?     ?     ?  ?           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    6  HD12   1  0.43  2.53  
 2   14  HG2    2  0.49  1.92  
 3   16  HE3    2  0.49  1.92  
 4   26  HG13   3  0.41  2.21  
 5   26  O      3  0.41  2.21  
 6   27  OG     4  0.57  2.03  
 7   31  HG3    4  0.57  2.03  
 8   43  CE2    1  0.43  2.53  
 9   51  HG2    5  0.56  1.87  
10   62  HD13   6  0.55  1.87  
11   94  HG21   5  0.56  1.87  
12   96  CE     7  0.42  3.03  
13   96  CE     8  0.40  2.34  
14   96  HE3    9  0.40  2.56  
15  102  O     10  0.55  2.06  
16  105  HA3    6  0.55  1.87  
17  106  HD22  10  0.55  2.06  
18  118  CD2    7  0.42  3.03  
19  118  CD2    9  0.40  2.56  
20  118  HD2    8  0.40  2.34  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  106
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       CA
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       CB
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       CG
_pdbx_vrpt_instance_intra_angle_outliers.obs          130.146
_pdbx_vrpt_instance_intra_angle_outliers.mean         115.300
_pdbx_vrpt_instance_intra_angle_outliers.stdev        2.300
_pdbx_vrpt_instance_intra_angle_outliers.Z            6.46
#
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  11  C8   C13  1.42  1.36  10000  0.02   2.31  0.00  
2  11  C10  C11  1.41  1.36  10000  0.02   2.10  0.00  
3  11  C13  C12  1.34  1.41  10000  0.02  -2.93  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  11  CE2  CZ   CE1  116.87  118.65     20  0.89  -2.00  0.41  
2  11  C9   C8   C13  123.86  120.44  10000  1.40   2.44  0.00  
3  11  C10  C9   C8   115.14  119.93  10000  1.86  -2.58  0.01  
4  11  C10  C11  C12  125.19  120.44  10000  1.56   3.04  0.01  
5  11  C13  C12  C11  114.54  118.65     20  0.89  -4.63  2.74  
#
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   8  0.977  0.101  -0.638  
  2    2  11  0.884  0.185   0.322  
  3    3   7  0.980  0.130  -0.184  
  4    4   8  0.985  0.179   0.610  
  5    5   8  0.984  0.130  -0.293  
  6    6   8  0.968  0.124  -0.397  
  7    7  10  0.977  0.085  -0.859  
  8    8   5  0.975  0.102  -0.507  
  9    9   8  0.976  0.076  -1.042  
 10   10  12  0.975  0.092  -0.801  
 11   11  17  0.985  0.097       ?  
 12   12   9  0.923  0.148  -0.292  
 13   13  12  0.965  0.096  -0.723  
 14   14   9  0.935  0.134  -0.478  
 15   15   7  0.957  0.116  -0.447  
 16   16   9  0.946  0.135  -0.561  
 17   17   8  0.946  0.199   0.794  
 18   18   9  0.961  0.179   0.027  
 19   19   5  0.967  0.101  -0.525  
 20   20   8  0.955  0.113  -0.606  
 21   21   9  0.960  0.153  -0.320  
 22   22   8  0.970  0.154   0.174  
 23   23   7  0.961  0.066  -1.101  
 24   24   9  0.959  0.102  -0.901  
 25   25   7  0.935  0.100  -0.521  
 26   26   8  0.947  0.130  -0.285  
 27   27   6  0.964  0.188   0.879  
 28   28   9  0.944  0.253   1.097  
 29   29  16  0.924  0.297   2.257  
 30   30  16  0.924  0.297   2.257  
 31   31   8  0.968  0.117  -0.342  
 32   32   9  0.957  0.201   0.320  
 33   33  11  0.909  0.233   1.011  
 34   34   4  0.978  0.106  -0.370  
 35   35  11  0.959  0.116  -0.670  
 36   36   8  0.982  0.095  -0.749  
 37   37   9  0.955  0.131  -0.517  
 38   38   9  0.963  0.124  -0.610  
 39   39   7  0.973  0.084  -1.049  
 40   40   8  0.981  0.122  -0.440  
 41   41   7  0.987  0.151   0.211  
 42   42   5  0.979  0.126  -0.080  
 43   43  11  0.972  0.132  -0.081  
 44   44   8  0.969  0.188   0.797  
 45   45   6  0.957  0.145   0.169  
 46   46   7  0.968  0.099  -0.767  
 47   47   9  0.945  0.092  -1.033  
 48   48   9  0.929  0.302   1.669  
 49   49   7  0.963  0.242   1.921  
 50   50   8  0.979  0.096  -0.743  
 51   51   9  0.887  0.217   0.620  
 52   52   9  0.932  0.318   1.883  
 53   53   8  0.909  0.159   0.252  
 54   54   7  0.977  0.095  -0.606  
 55   55   9  0.865  0.238   0.898  
 56   56   9  0.918  0.163  -0.094  
 57   57   7  0.977  0.081  -1.105  
 58   58   6  0.982  0.089  -0.757  
 59   59   8  0.967  0.152   0.112  
 60   60   9  0.957  0.141  -0.481  
 61   61   5  0.989  0.123  -0.133  
 62   62   8  0.976  0.121  -0.453  
 63   63   9  0.936  0.151  -0.253  
 64   64   9  0.952  0.128  -0.557  
 65   65   8  0.978  0.143  -0.043  
 66   66   6  0.985  0.093  -0.691  
 67   67   9  0.972  0.136  -0.547  
 68   68   7  0.986  0.106  -0.635  
 69   69   5  0.957  0.119  -0.205  
 70   70   9  0.957  0.099  -0.940  
 71   71   9  0.934  0.135  -0.321  
 72   72   7  0.969  0.095  -0.842  
 73   73   9  0.945  0.154  -0.307  
 74   74   5  0.962  0.090  -0.721  
 75   75   9  0.919  0.151  -0.253  
 76   76   8  0.974  0.102  -0.628  
 77   77   7  0.978  0.124  -0.297  
 78   78  11  0.972  0.130  -0.119  
 79   79   7  0.984  0.103  -0.692  
 80   80   6  0.974  0.140   0.086  
 81   81   7  0.965  0.121  -0.164  
 82   82  14  0.940  0.184   1.129  
 83   83   5  0.917  0.128  -0.044  
 84   84  10  0.889  0.131  -0.103  
 85   85   8  0.833  0.189   0.794  
 86   86   6  0.822  0.172   0.615  
 87   87   6  0.869  0.220   1.408  
 88   88   5  0.962  0.162  -0.107  
 89   89   8  0.905  0.213   1.236  
 90   90   5  0.961  0.147   0.294  
 91   91   9  0.953  0.142  -0.467  
 92   92   7  0.982  0.082  -0.828  
 93   93   6  0.971  0.108  -0.443  
 94   94   7  0.974  0.121  -0.353  
 95   95   5  0.987  0.147   0.294  
 96   96   8  0.967  0.134  -0.028  
 97   97   8  0.973  0.099  -0.699  
 98   98   8  0.984  0.112  -0.621  
 99   99   8  0.982  0.130  -0.293  
100  100   8  0.963  0.103  -0.613  
101  101  11  0.971  0.106  -0.813  
102  102   7  0.982  0.111  -0.541  
103  103  12  0.964  0.094  -0.762  
104  104   9  0.969  0.085  -1.043  
105  105   4  0.983  0.096  -0.532  
106  106   8  0.984  0.104  -0.772  
107  107   9  0.964  0.116  -0.814  
108  108   9  0.941  0.144  -0.345  
109  109  11  0.955  0.103  -0.856  
110  110   4  0.982  0.073  -0.903  
111  111  11  0.960  0.091  -0.855  
112  112   8  0.942  0.117  -0.397  
113  113   7  0.961  0.112  -0.523  
114  114   4  0.986  0.108  -0.338  
115  115   9  0.974  0.125  -0.694  
116  116   5  0.977  0.115  -0.276  
117  117   7  0.968  0.116  -0.249  
118  118  11  0.977  0.087  -0.930  
119  119   4  0.979  0.088  -0.661  
120  120  12  0.963  0.098  -0.684  
121  121  12  0.967  0.139   0.117  
122  122   8  0.977  0.095  -0.938  
123  123   5  0.965  0.097  -0.596  
124  124   5  0.984  0.116  -0.258  
125  125   9  0.949  0.157  -0.267  
126  126   8  0.985  0.105  -0.752  
127  127   6  0.984  0.123  -0.195  
128  128   6  0.975  0.087  -0.670  
129  129   9  0.928  0.111  -0.881  
130  130   4  0.936  0.113  -0.257  
131  131  10  0.940  0.159   0.356  
132  132   7  0.968  0.097  -0.572  
133  133   8  0.957  0.138  -0.145  
134  134   5  0.988  0.131   0.009  
135  135   9  0.943  0.145  -0.332  
136  136   8  0.976  0.117  -0.532  
137  137   6  0.971  0.078  -0.939  
138  138  11  0.963  0.117  -0.655  
139  139   7  0.979  0.095  -0.685  
140  140   8  0.931  0.147   0.032  
141  141   7  0.827  0.341   3.782  
142  142   7  0.621  0.269   2.358  
143  143   1  0.868  0.170       ?  
144  144   1  0.936  0.096       ?  
145  145   1  0.957  0.220       ?  
146  146   1  0.716  0.389       ?  
147  147   1  0.795  0.380       ?  
148  148   1  0.860  0.199       ?  
149  149   1  0.758  0.166       ?  
150  150   1  0.903  0.160       ?  
151  151   1  0.972  0.132       ?  
152  152   1  0.922  0.129       ?  
153  153   1  0.904  0.206       ?  
154  154   1  0.978  0.105       ?  
155  155   1  0.937  0.214       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                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  
##
