data_4UU4

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   4UU4       
PDBE  EBI-61326  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4UU4
_pdbx_vrpt_summary.PDB_deposition_date         2014-07-24
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-01-10
_pdbx_vrpt_summary.report_creation_date        2024-01-03:06:29
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "PERIPLASMIC LIPOPOLYSACCHARIDE TRANSPORT PROTEIN LPTH"  
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  2.751  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   42.80  141614     ?     ?  
 2  2  1   55.36    1277  2.74  2.78  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1257  2.74  2.78  
 5  1  3    3.90  138945     ?     ?  
 6  2  3    6.28    1257  2.74  2.78  
 7  1  4    5.90  127900     ?     ?  
 8  2  4    6.55    1207  2.74  2.78  
 9  1  5    3.26  130704     ?     ?  
10  2  5    4.26    1235  2.74  2.78  
#
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    3.90  
4  6  3  A  1  1  A    6.28  
5  7  4  A  1  1  A    5.90  
6  8  4  A  1  1  A    6.55  
#
_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      0.64
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.28
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1120
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1518
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       13.01
_pdbx_vrpt_summary_geometry.clashscore                     6.77
_pdbx_vrpt_summary_geometry.num_H_reduce                   1110
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1120
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.28
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1518
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.64
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 132.401
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            69.585
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         40.552
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.85(2.77A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4348
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.302
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.331
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.478
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.317
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.909
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.31
_pdbx_vrpt_summary_diffraction.EDS_R                     0.27
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.75
_pdbx_vrpt_summary_diffraction.EDS_res_low               43.02
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[56.642,56.642,14.064,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           1.003
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.90% 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          3
_pdbx_vrpt_summary_diffraction.data_completeness         99.66
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      202
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.65
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     10.49
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.75
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        43.02
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.30
#
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
  1  1  1  A   26  PRO  A    26  .  ?        ?     ?  
  2  1  1  A   27  SER  A    27  .  ?        ?     ?  
  3  1  1  A   28  ASP  A    28  .  ?        ?     ?  
  4  1  1  A   29  ARG  A    29  .  ?        ?     2  
  5  1  1  A   30  GLU  A    30  .  ?        ?     ?  
  6  1  1  A   31  GLN  A    31  .  ?        ?     ?  
  7  1  1  A   32  PRO  A    32  .  ?        ?     ?  
  8  1  1  A   33  ILE  A    33  .  ?        ?     ?  
  9  1  1  A   34  ARG  A    34  .  ?        ?     ?  
 10  1  1  A   35  VAL  A    35  .  ?        ?     ?  
 11  1  1  A   36  GLN  A    36  .  ?        ?     ?  
 12  1  1  A   37  ALA  A    37  .  ?        ?     ?  
 13  1  1  A   38  ASP  A    38  .  ?        ?     ?  
 14  1  1  A   39  SER  A    39  .  ?        ?     ?  
 15  1  1  A   40  ALA  A    40  .  ?        ?     ?  
 16  1  1  A   41  GLU  A    41  .  ?        ?     ?  
 17  1  1  A   42  LEU  A    42  .  ?        ?     ?  
 18  1  1  A   43  ASP  A    43  .  ?        ?     ?  
 19  1  1  A   44  ASP  A    44  .  ?        ?     ?  
 20  1  1  A   45  LYS  A    45  .  ?        ?     ?  
 21  1  1  A   46  GLN  A    46  .  ?        ?     ?  
 22  1  1  A   47  GLY  A    47  .  ?        ?     ?  
 23  1  1  A   48  VAL  A    48  .  ?        ?     ?  
 24  1  1  A   49  ALA  A    49  .  ?        ?     ?  
 25  1  1  A   50  VAL  A    50  .  ?        ?     ?  
 26  1  1  A   51  TYR  A    51  .  ?        ?     ?  
 27  1  1  A   52  ARG  A    52  .  ?        ?     ?  
 28  1  1  A   53  GLY  A    53  .  ?        ?     ?  
 29  1  1  A   54  ASP  A    54  .  ?        ?     ?  
 30  1  1  A   55  VAL  A    55  .  ?        ?     ?  
 31  1  1  A   56  VAL  A    56  .  ?        ?     ?  
 32  1  1  A   57  VAL  A    57  .  ?        ?     ?  
 33  1  1  A   58  THR  A    58  .  ?        ?     ?  
 34  1  1  A   59  GLN  A    59  .  ?        ?     ?  
 35  1  1  A   60  GLY  A    60  .  ?        ?     ?  
 36  1  1  A   61  SER  A    61  .  ?        ?     ?  
 37  1  1  A   62  THR  A    62  .  ?        ?     ?  
 38  1  1  A   63  LYS  A    63  .  ?        ?     ?  
 39  1  1  A   64  LEU  A    64  .  ?        ?     ?  
 40  1  1  A   65  THR  A    65  .  ?        ?     1  
 41  1  1  A   66  GLY  A    66  .  ?        ?     ?  
 42  1  1  A   67  ASN  A    67  .  ?        ?     ?  
 43  1  1  A   68  THR  A    68  .  ?        ?     ?  
 44  1  1  A   69  VAL  A    69  .  ?        ?     ?  
 45  1  1  A   70  THR  A    70  .  ?        ?     ?  
 46  1  1  A   71  LEU  A    71  .  ?        ?     1  
 47  1  1  A   72  LYS  A    72  .  ?        ?     ?  
 48  1  1  A   73  GLN  A    73  .  ?        ?     ?  
 49  1  1  A   74  ASP  A    74  .  ?        ?     2  
 50  1  1  A   75  LYS  A    75  .  ?        ?     ?  
 51  1  1  A   76  ASN  A    76  .  ?        1     ?  
 52  1  1  A   77  GLY  A    77  .  ?        ?     1  
 53  1  1  A   80  GLU  A    80  .  ?        ?     1  
 54  1  1  A   81  VAL  A    81  .  ?        ?     ?  
 55  1  1  A   82  VAL  A    82  .  ?        ?     1  
 56  1  1  A   83  THR  A    83  .  ?        ?     ?  
 57  1  1  A   84  SER  A    84  .  ?        ?     ?  
 58  1  1  A   85  VAL  A    85  .  ?        ?     ?  
 59  1  1  A   86  GLY  A    86  .  ?        ?     ?  
 60  1  1  A   87  LYS  A    87  .  ?        ?     ?  
 61  1  1  A   88  PRO  A    88  .  ?        ?     ?  
 62  1  1  A   89  ALA  A    89  .  ?        ?     ?  
 63  1  1  A   90  TYR  A    90  .  ?        ?     1  
 64  1  1  A   91  TYR  A    91  .  ?        ?     1  
 65  1  1  A   92  GLU  A    92  .  ?        ?     ?  
 66  1  1  A   93  GLN  A    93  .  ?        ?     ?  
 67  1  1  A   94  LYS  A    94  .  ?        ?     1  
 68  1  1  A   95  PRO  A    95  .  ?        ?     ?  
 69  1  1  A   96  ALA  A    96  .  ?        ?     1  
 70  1  1  A   97  PRO  A    97  .  ?        ?     ?  
 71  1  1  A   98  ASP  A    98  .  ?        1     1  
 72  1  1  A   99  LYS  A    99  .  ?        ?     2  
 73  1  1  A  100  ASP  A   100  .  ?        ?     1  
 74  1  1  A  101  VAL  A   101  .  ?        ?     ?  
 75  1  1  A  102  THR  A   102  .  ?        ?     ?  
 76  1  1  A  103  LYS  A   103  .  ?        ?     ?  
 77  1  1  A  104  ALA  A   104  .  ?        ?     2  
 78  1  1  A  105  TYR  A   105  .  ?        ?     ?  
 79  1  1  A  106  GLY  A   106  .  ?        ?     ?  
 80  1  1  A  107  LEU  A   107  .  ?        ?     1  
 81  1  1  A  108  THR  A   108  .  ?        ?     ?  
 82  1  1  A  109  ILE  A   109  .  ?        ?     1  
 83  1  1  A  110  GLN  A   110  .  ?        ?     ?  
 84  1  1  A  111  TYR  A   111  .  ?        ?     ?  
 85  1  1  A  112  PHE  A   112  .  ?        ?     1  
 86  1  1  A  113  VAL  A   113  .  ?        ?     ?  
 87  1  1  A  114  THR  A   114  .  ?        ?     ?  
 88  1  1  A  115  GLN  A   115  .  ?        ?     1  
 89  1  1  A  116  ASN  A   116  .  ?        ?     ?  
 90  1  1  A  117  ARG  A   117  .  ?        ?     ?  
 91  1  1  A  118  VAL  A   118  .  ?        ?     ?  
 92  1  1  A  119  VAL  A   119  .  ?        ?     ?  
 93  1  1  A  120  LEU  A   120  .  ?        ?     2  
 94  1  1  A  121  ILE  A   121  .  ?        1     ?  
 95  1  1  A  122  ASP  A   122  .  ?        ?     1  
 96  1  1  A  123  GLN  A   123  .  ?        ?     ?  
 97  1  1  A  124  ALA  A   124  .  ?        ?     ?  
 98  1  1  A  125  LYS  A   125  .  ?        ?     1  
 99  1  1  A  126  VAL  A   126  .  ?        ?     ?  
100  1  1  A  127  ILE  A   127  .  ?        ?     ?  
101  1  1  A  128  GLN  A   128  .  ?        ?     ?  
102  1  1  A  129  GLU  A   129  .  ?        ?     ?  
103  1  1  A  130  GLY  A   130  .  ?        ?     ?  
104  1  1  A  131  ASN  A   131  .  ?        ?     ?  
105  1  1  A  132  THR  A   132  .  ?        ?     ?  
106  1  1  A  133  PHE  A   133  .  ?        ?     ?  
107  1  1  A  134  GLU  A   134  .  ?        ?     1  
108  1  1  A  135  GLY  A   135  .  ?        ?     ?  
109  1  1  A  136  GLU  A   136  .  ?        ?     ?  
110  1  1  A  137  LYS  A   137  .  ?        ?     ?  
111  1  1  A  138  ILE  A   138  .  ?        ?     ?  
112  1  1  A  139  VAL  A   139  .  ?        ?     ?  
113  1  1  A  140  TYR  A   140  .  ?        ?     ?  
114  1  1  A  141  ASP  A   141  .  ?        ?     ?  
115  1  1  A  142  THR  A   142  .  ?        ?     ?  
116  1  1  A  143  GLN  A   143  .  ?        ?     ?  
117  1  1  A  144  ARG  A   144  .  ?        ?     ?  
118  1  1  A  145  GLN  A   145  .  ?        ?     ?  
119  1  1  A  146  ILE  A   146  .  ?        ?     ?  
120  1  1  A  147  VAL  A   147  .  ?        ?     ?  
121  1  1  A  148  ASN  A   148  .  ?        ?     ?  
122  1  1  A  149  ALA  A   149  .  ?        ?     ?  
123  1  1  A  150  GLY  A   150  .  ?        ?     ?  
124  1  1  A  151  ARG  A   151  .  ?        ?     ?  
125  1  1  A  152  ALA  A   152  .  ?        ?     ?  
126  1  1  A  153  THR  A   153  .  ?        ?     ?  
127  1  1  A  154  GLY  A   154  .  ?        ?     ?  
128  1  1  A  155  SER  A   155  .  ?        ?     ?  
129  1  1  A  156  GLN  A   156  .  ?        ?     ?  
130  1  1  A  157  VAL  A   157  .  ?        ?     ?  
131  1  1  A  158  THR  A   158  .  ?        ?     ?  
132  1  1  A  159  SER  A   159  .  ?        ?     ?  
133  1  1  A  160  PRO  A   160  .  ?        ?     ?  
134  1  1  A  161  ARG  A   161  .  ?        ?     1  
135  1  1  A  162  PRO  A   162  .  ?        ?     ?  
136  1  1  A  163  ARG  A   163  .  ?        ?     ?  
137  1  1  A  164  ILE  A   164  .  ?        ?     ?  
138  1  1  A  165  ASP  A   165  .  ?        ?     1  
139  1  1  A  166  MET  A   166  .  ?        ?     ?  
140  1  1  A  167  VAL  A   167  .  ?        ?     ?  
141  1  1  A  168  ILE  A   168  .  ?        ?     ?  
142  1  1  A  169  GLN  A   169  .  ?        ?     ?  
143  1  1  A  170  PRO  A   170  .  ?        ?     ?  
144  1  2  B    .  HOH  A  2001  .  ?        ?     ?  
145  1  2  B    .  HOH  A  2002  .  ?        ?     ?  
146  1  2  B    .  HOH  A  2003  .  ?        ?     ?  
147  1  2  B    .  HOH  A  2004  .  ?        ?     ?  
148  1  2  B    .  HOH  A  2005  .  ?        ?     ?  
149  1  2  B    .  HOH  A  2006  .  ?        ?     ?  
150  1  2  B    .  HOH  A  2007  .  ?        ?     ?  
151  1  2  B    .  HOH  A  2008  .  ?        ?     ?  
152  1  2  B    .  HOH  A  2009  .  ?        ?     ?  
153  1  2  B    .  HOH  A  2010  .  ?        ?     ?  
154  1  2  B    .  HOH  A  2011  .  ?        ?     ?  
155  1  2  B    .  HOH  A  2012  .  ?        ?     ?  
156  1  2  B    .  HOH  A  2013  .  ?        ?     ?  
157  1  2  B    .  HOH  A  2014  .  ?        ?     ?  
158  1  2  B    .  HOH  A  2015  .  ?        ?     ?  
159  1  2  B    .  HOH  A  2016  .  ?        ?     ?  
160  1  2  B    .  HOH  A  2017  .  ?        ?     ?  
161  1  2  B    .  HOH  A  2018  .  ?        ?     ?  
162  1  2  B    .  HOH  A  2019  .  ?        ?     ?  
163  1  2  B    .  HOH  A  2020  .  ?        ?     ?  
164  1  2  B    .  HOH  A  2021  .  ?        ?     ?  
165  1  2  B    .  HOH  A  2022  .  ?        ?     ?  
166  1  2  B    .  HOH  A  2023  .  ?        ?     ?  
167  1  2  B    .  HOH  A  2024  .  ?        ?     ?  
168  1  2  B    .  HOH  A  2025  .  ?        ?     ?  
169  1  2  B    .  HOH  A  2026  .  ?        ?     ?  
170  1  2  B    .  HOH  A  2027  .  ?        ?     ?  
171  1  2  B    .  HOH  A  2028  .  ?        ?     ?  
172  1  2  B    .  HOH  A  2029  .  ?        ?     ?  
173  1  2  B    .  HOH  A  2030  .  ?        ?     ?  
174  1  2  B    .  HOH  A  2031  .  ?        ?     ?  
175  1  2  B    .  HOH  A  2032  .  ?        ?     ?  
#
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.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  Cg_exo        ?       ?  ?        ?        7   95.890     8  0.27    11  0.26  molprobity  1.000  
  2    2  m         -91.4    19.4  Favored  ?        5  105.520     6  0.22     8  0.39  molprobity  1.000  
  3    3  m-20      -81.2    17.0  Allowed  ?        4  106.170     8  0.30    11  0.98  molprobity  1.000  
  4    4  ttt-85   -143.0   -33.1  Allowed  ?       13   86.020    11  0.66    14  1.16  molprobity  1.000  
  5    5  mm-40     -79.5   -17.3  Favored  ?        6   78.430     9  0.31    12  0.36  molprobity  1.000  
  6    6  mm-40     -76.2   155.8  Favored  ?        8   52.630     9  0.21    13  0.47  molprobity  1.000  
  7    7  Cg_endo   -72.1   155.9  Favored  ?        7   40.750     8  0.16    11  0.34  molprobity  1.000  
  8    8  mt        -98.6   116.9  Favored  ?       11   41.740     8  0.15    11  0.66  molprobity  1.000  
  9    9  OUTLIER  -103.2   137.4  Favored  ?       13   54.880    11  0.30    14  0.55  molprobity  1.000  
 10   10  t        -123.8   137.2  Favored  ?        9   24.520     7  0.26    10  0.47  molprobity  1.000  
 11   11  tt0      -126.0   121.8  Favored  ?        8   41.430     9  0.27    12  0.42  molprobity  1.000  
 12   12  ?        -147.3  -177.2  Favored  ?        5   26.600     5  0.15     7  0.53  molprobity  1.000  
 13   13  m-20      -84.7   -36.3  Favored  ?        4   33.210     8  0.21    11  0.30  molprobity  1.000  
 14   14  p        -149.2   159.4  Favored  ?        5   31.530     6  0.30     8  0.32  molprobity  1.000  
 15   15  ?        -149.9   148.4  Favored  ?        5   32.520     5  0.22     7  0.24  molprobity  1.000  
 16   16  tt0      -135.9   123.6  Favored  ?        6   58.390     9  0.27    12  0.45  molprobity  1.000  
 17   17  tp       -112.6   119.3  Favored  ?       11   66.600     8  0.22    11  0.82  molprobity  1.000  
 18   18  t0       -102.0    86.1  Favored  ?        4   55.590     8  0.19    11  0.30  molprobity  1.000  
 19   19  t0        -68.2   -14.2  Favored  ?        4   74.690     8  0.14    11  0.29  molprobity  1.000  
 20   20  mttt      -76.7   -49.1  Favored  ?       13   75.640     9  0.19    11  0.28  molprobity  1.000  
 21   21  OUTLIER   -71.0   -40.9  Favored  ?        8   91.620     9  0.23    12  0.37  molprobity  1.000  
 22   22  ?          94.0    31.1  Favored  ?        3   58.460     4  0.28     5  0.70  molprobity  1.000  
 23   23  t        -127.0   136.1  Favored  ?        9   46.100     7  0.14    10  0.35  molprobity  1.000  
 24   24  ?        -128.7   133.2  Favored  ?        5   36.720     5  0.19     7  0.50  molprobity  1.000  
 25   25  p        -120.3   128.1  Favored  ?        9   34.920     7  0.41    10  0.64  molprobity  1.000  
 26   26  m-85     -113.7   136.8  Favored  ?        9   27.210    13  0.25    18  0.31  molprobity  1.000  
 27   27  mtt85    -131.2   148.9  Favored  ?       13   42.600    11  0.24    14  0.39  molprobity  1.000  
 28   28  ?          92.5    91.3  Allowed  ?        3   28.190     4  0.16     5  0.44  molprobity  1.000  
 29   29  m-20       50.3    48.2  Favored  ?        4   27.940     8  0.20    11  0.32  molprobity  1.000  
 30   30  t         -66.9   129.2  Favored  ?        9   22.420     7  0.45    10  0.72  molprobity  1.000  
 31   31  t        -127.7   111.5  Favored  ?        9   22.600     7  0.25    10  0.72  molprobity  1.000  
 32   32  OUTLIER  -109.2   124.7  Favored  ?        9   23.870     7  0.37    10  0.32  molprobity  1.000  
 33   33  p        -120.3   137.8  Favored  ?        7   30.850     7  0.33    10  0.62  molprobity  1.000  
 34   34  tt0      -131.2    84.0  Favored  ?        8   38.610     9  0.30    12  0.35  molprobity  1.000  
 35   35  ?          77.8   -99.8  Allowed  ?        3   43.260     4  0.27     5  0.29  molprobity  1.000  
 36   36  OUTLIER  -103.6   -19.0  Favored  ?        5   40.190     6  0.23     8  0.32  molprobity  1.000  
 37   37  m         -72.6   143.6  Favored  ?        7   29.190     7  0.25    10  0.41  molprobity  1.000  
 38   38  ttpt     -145.7   134.9  Favored  ?       13   32.290     9  0.17    11  0.31  molprobity  1.000  
 39   39  OUTLIER  -123.9   134.4  Favored  ?       11   40.380     8  0.27    11  0.70  molprobity  1.000  
 40   40  p        -124.5   166.7  Favored  ?        7   27.150     7  0.23    10  0.75  molprobity  1.000  
 41   41  ?         170.0   174.2  Favored  ?        3   21.780     4  0.25     5  0.37  molprobity  1.000  
 42   42  m120      -81.0   -40.4  Favored  ?        6   20.810     8  0.26    11  0.46  molprobity  1.000  
 43   43  m        -138.6   125.9  Favored  ?        7   34.430     7  0.25    10  0.63  molprobity  1.000  
 44   44  t        -123.6   131.8  Favored  ?        9   23.830     7  0.26    10  0.41  molprobity  1.000  
 45   45  m        -117.9   129.5  Favored  ?        7   30.990     7  0.20    10  0.70  molprobity  1.000  
 46   46  mt       -102.8   127.2  Favored  ?       11   36.040     8  0.29    11  0.65  molprobity  1.000  
 47   47  mttp     -106.9   135.3  Favored  ?       13   54.700     9  0.32    11  0.44  molprobity  1.000  
 48   48  tt0      -101.1   144.8  Favored  ?        8   75.900     9  0.23    12  0.38  molprobity  1.000  
 49   49  p-10     -114.2  -173.4  Favored  ?        4   69.340     8  0.48    11  1.05  molprobity  1.000  
 50   50  mptp?     -68.6   105.6  Favored  ?       13   74.290     9  0.39    11  1.00  molprobity  1.000  
 51   51  m-80       85.7    -2.2  Allowed  ?        6  104.230     8  0.49    11  2.99  molprobity  1.000  
 52   52  ?             ?       ?  ?        ?        3   81.130     3  0.14     2  0.42  molprobity  1.000  
 53   53  pt-20         ?       ?  ?        ?        5   46.410     9  0.19    12  0.32  molprobity  1.000  
 54   54  p        -159.2   135.6  Favored  ?        9   33.600     7  0.33    10  0.48  molprobity  1.000  
 55   55  t        -115.0   106.6  Favored  ?        9   25.680     7  0.19    10  0.59  molprobity  1.000  
 56   56  m        -100.2   121.7  Favored  ?        7   27.400     7  0.16    10  0.65  molprobity  1.000  
 57   57  t        -111.8   144.7  Favored  ?        5   34.940     6  0.26     8  0.52  molprobity  1.000  
 58   58  t        -134.6   127.4  Favored  ?        9   32.130     7  0.31    10  0.46  molprobity  1.000  
 59   59  ?        -155.8  -163.3  Favored  ?        3   30.490     4  0.33     5  0.19  molprobity  1.000  
 60   60  mmtt     -130.6    70.6  Favored  Y       13   37.700     9  0.27    12  0.68  molprobity  1.000  
 61   61  Cg_endo   -96.1   175.1  Favored  ?        7   20.220     8  0.23    11  0.53  molprobity  1.000  
 62   62  ?         -75.9   151.8  Favored  ?        5   20.930     5  0.66     7  0.66  molprobity  1.000  
 63   63  t80      -129.3   134.1  Favored  ?        9   25.450    13  0.26    18  0.51  molprobity  1.000  
 64   64  t80      -121.9   136.8  Favored  ?        9   30.550    13  0.29    18  0.35  molprobity  1.000  
 65   65  tt0      -133.0   134.8  Favored  ?        6   42.790     9  0.21    12  0.58  molprobity  1.000  
 66   66  OUTLIER  -155.6   157.2  Favored  ?        8   51.110     9  0.31    12  0.66  molprobity  1.000  
 67   67  tptp     -120.7   106.6  Favored  ?       12   62.780     9  0.18    12  0.66  molprobity  1.000  
 68   68  Cg_exo    -74.0   -47.4  Allowed  ?        7   65.590     8  0.22    11  1.58  molprobity  1.000  
 69   69  ?        -107.1   156.3  Favored  ?        5   83.010     5  0.23     8  0.80  molprobity  1.000  
 70   70  Cg_exo    -64.6   -12.7  Favored  ?        7  133.370     8  0.14    11  0.31  molprobity  1.000  
 71   71  m-20      -73.0  -166.8  Allowed  ?        4  130.520     8  0.14    11  1.81  molprobity  1.000  
 72   72  OUTLIER   -94.1    59.6  Favored  ?       13  112.040     9  0.20    11  0.23  molprobity  1.000  
 73   73  OUTLIER  -121.9    63.1  Allowed  ?        4   74.860     8  0.15    11  0.25  molprobity  1.000  
 74   74  OUTLIER   -79.0   123.6  Favored  ?        9   52.940     7  0.19    10  0.34  molprobity  1.000  
 75   75  p         -99.2   126.8  Favored  ?        7   40.700     7  0.52    10  0.75  molprobity  1.000  
 76   76  mttt      -99.9   150.6  Favored  ?       13   38.600     9  0.25    11  0.34  molprobity  1.000  
 77   77  ?        -146.0   138.3  Favored  ?        5   32.260     5  0.31     7  0.45  molprobity  1.000  
 78   78  m-85     -132.8   146.3  Favored  ?        9   35.430    13  0.36    18  0.44  molprobity  1.000  
 79   79  ?        -174.4   147.7  Favored  ?        3   34.500     4  0.49     5  0.39  molprobity  1.000  
 80   80  mp        -57.3   -44.5  Favored  ?       11   26.000     8  0.24    11  0.36  molprobity  1.000  
 81   81  m        -121.9   132.8  Favored  ?        7   31.980     7  0.28    10  0.56  molprobity  1.000  
 82   82  mt       -124.8   128.5  Favored  ?       11   23.240     8  0.30    11  0.58  molprobity  1.000  
 83   83  mt-30    -114.0   127.0  Favored  ?        8   33.440     9  0.34    12  0.27  molprobity  1.000  
 84   84  t80      -107.0    94.7  Favored  ?        9   33.960    13  0.31    18  0.45  molprobity  1.000  
 85   85  m-85      -78.2    82.5  Favored  ?        9   33.740    12  0.29    16  0.28  molprobity  1.000  
 86   86  OUTLIER   -60.8   -37.2  Favored  ?        9   41.180     7  0.26    10  0.62  molprobity  1.000  
 87   87  p         -64.1   -34.5  Favored  ?        7   50.960     7  0.24    10  0.64  molprobity  1.000  
 88   88  OUTLIER   -89.1   -11.7  Favored  ?        8   55.630     9  0.24    12  0.48  molprobity  1.000  
 89   89  m-20       53.9    52.7  Favored  ?        6   45.490     8  0.30    11  0.34  molprobity  1.000  
 90   90  OUTLIER  -136.8   129.0  Favored  ?       13   47.360    11  0.19    14  0.35  molprobity  1.000  
 91   91  t        -119.3   109.3  Favored  ?        9   27.440     7  0.27    10  0.54  molprobity  1.000  
 92   92  p        -103.2   121.8  Favored  ?        9   27.990     7  0.28    10  0.60  molprobity  1.000  
 93   93  OUTLIER  -102.4   125.1  Favored  ?       11   31.380     8  0.23    11  0.29  molprobity  1.000  
 94   94  mt       -113.3   159.8  Favored  ?       11   29.290     8  0.20    11  1.83  molprobity  1.000  
 95   95  t0         52.8    81.1  Allowed  ?        4   30.010     8  0.61    11  1.83  molprobity  1.000  
 96   96  mt-30      82.2    34.0  Allowed  ?        8   25.680     9  0.46    12  0.72  molprobity  1.000  
 97   97  ?         -57.7   119.4  Favored  ?        5   27.100     5  0.19     7  0.32  molprobity  1.000  
 98   98  ttmt     -126.3   151.3  Favored  ?       13   38.120     9  0.31    11  0.30  molprobity  1.000  
 99   99  t        -144.5   122.8  Favored  ?        9   29.310     7  0.29    10  0.78  molprobity  1.000  
100  100  mt       -109.5   107.5  Favored  ?       11   36.530     8  0.23    11  0.42  molprobity  1.000  
101  101  pt20     -121.4   110.0  Favored  ?        8   52.430     9  0.29    12  0.84  molprobity  1.000  
102  102  mt-10      52.5    55.0  Favored  ?        6   69.840     9  0.24    12  0.36  molprobity  1.000  
103  103  ?          82.3   -25.7  Favored  ?        3   77.670     4  0.25     5  0.21  molprobity  1.000  
104  104  m-20      -77.4   114.5  Favored  ?        6   50.420     8  0.37    11  0.29  molprobity  1.000  
105  105  m        -101.5   134.2  Favored  ?        7   39.550     7  0.45    10  0.70  molprobity  1.000  
106  106  OUTLIER  -121.2   132.5  Favored  ?        9   66.480    12  0.45    16  0.60  molprobity  1.000  
107  107  mt-10    -138.5   141.5  Favored  ?        6   40.340     9  0.23    12  0.26  molprobity  1.000  
108  108  ?        -170.9   170.6  Favored  ?        3   26.290     4  0.23     5  0.36  molprobity  1.000  
109  109  mt-10     -69.1   -34.5  Favored  ?        6   32.010     9  0.21    12  0.41  molprobity  1.000  
110  110  tttt     -152.3   127.5  Favored  ?       13   29.240     9  0.22    11  0.34  molprobity  1.000  
111  111  mt       -125.9   120.6  Favored  ?       11   25.840     8  0.29    11  0.56  molprobity  1.000  
112  112  t        -101.7   132.6  Favored  ?        9   28.070     7  0.27    10  0.35  molprobity  1.000  
113  113  t80      -127.9   107.9  Favored  ?        9   32.130    13  0.35    18  0.37  molprobity  1.000  
114  114  t0        -75.0   119.5  Favored  ?        4   42.210     8  0.22    11  0.50  molprobity  1.000  
115  115  p         -82.4   -14.8  Favored  ?        7   47.750     7  0.24    10  0.58  molprobity  1.000  
116  116  tt0       -91.9   -61.1  Allowed  ?        8   81.180     9  0.25    12  0.30  molprobity  1.000  
117  117  mtp180    -71.4   -13.2  Favored  ?       13   66.480    11  0.19    14  0.36  molprobity  1.000  
118  118  mt-30      56.6    41.3  Favored  ?        8   57.430     9  0.23    12  0.42  molprobity  1.000  
119  119  mt       -100.2   127.5  Favored  ?       11   47.660     8  0.18    11  0.41  molprobity  1.000  
120  120  t        -110.8   114.8  Favored  ?        9   40.340     7  0.23    10  0.46  molprobity  1.000  
121  121  m-80      -96.0   140.8  Favored  ?        6   52.110     8  0.22    11  0.39  molprobity  1.000  
122  122  ?        -135.1   136.2  Favored  ?        5   30.870     5  0.16     7  0.40  molprobity  1.000  
123  123  ?        -176.2  -158.3  Favored  ?        3   29.700     4  0.45     5  0.30  molprobity  1.000  
124  124  mtp180    -91.4   156.2  Favored  ?       13   37.420    11  0.26    14  0.41  molprobity  1.000  
125  125  ?         -85.4    91.3  Favored  ?        5   36.290     5  0.23     7  0.27  molprobity  1.000  
126  126  p         -72.3   100.8  Favored  ?        7   57.230     7  0.22    10  0.67  molprobity  1.000  
127  127  ?          84.3    37.3  Favored  ?        3   75.130     4  0.39     5  0.24  molprobity  1.000  
128  128  m        -124.9    -5.8  Favored  ?        5   75.850     6  0.22     8  0.38  molprobity  1.000  
129  129  OUTLIER    48.5    58.2  Favored  ?        8  121.860     9  0.24    12  0.82  molprobity  1.000  
130  130  m         -55.9   153.0  Allowed  ?        9   38.830     7  0.28    10  0.74  molprobity  1.000  
131  131  p         -84.5   -24.4  Favored  ?        7   30.380     7  0.24    10  0.70  molprobity  1.000  
132  132  m        -119.5    87.1  Favored  ?        5   41.190     6  0.24     9  0.54  molprobity  1.000  
133  133  Cg_exo    -58.3   131.5  Favored  ?        7   36.720     8  0.24    11  0.35  molprobity  1.000  
134  134  ttt85    -148.5    80.0  Favored  ?       13   37.150    11  0.17    15  0.60  molprobity  1.000  
135  135  Cg_exo    -64.4   -15.4  Favored  ?        7   38.900     8  0.22    11  0.39  molprobity  1.000  
136  136  mmm180   -124.2   140.1  Favored  ?       13   37.550    11  0.19    14  0.31  molprobity  1.000  
137  137  pt        -93.3   157.3  Favored  ?       11   33.010     8  0.30    11  0.63  molprobity  1.000  
138  138  OUTLIER  -119.9   147.2  Favored  ?        4   51.210     8  0.18    11  0.34  molprobity  1.000  
139  139  tpt      -141.3   133.5  Favored  ?        9   51.500     8  0.25    10  0.42  molprobity  1.000  
140  140  m        -131.6   127.2  Favored  ?        9   47.020     7  0.43    10  0.54  molprobity  1.000  
141  141  mt       -105.4   114.2  Favored  ?       11   52.920     8  0.25    11  0.67  molprobity  1.000  
142  142  tp60      -86.6   132.3  Favored  ?        8   67.010     9  0.20    13  0.58  molprobity  1.000  
143  143  Cg_endo       ?       ?  ?        ?        7   77.610     7  0.13     8  0.36  molprobity  1.000  
144  144  ?             ?       ?  ?        ?        ?   94.700     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?        ?        ?   28.240     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?        ?        ?   21.310     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?        ?        ?   41.150     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?        ?        ?   37.530     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?        ?        ?   46.730     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?        ?        ?   71.040     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?        ?        ?   43.620     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?        ?        ?  136.720     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?        ?        ?   42.290     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?        ?        ?   88.810     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?        ?        ?   33.450     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?        ?        ?   19.640     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?        ?        ?   36.930     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?        ?        ?   67.190     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?        ?        ?   66.370     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?        ?        ?   67.340     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?        ?        ?   48.110     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?        ?        ?   67.820     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?        ?        ?   65.440     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?        ?        ?   42.600     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?        ?        ?   38.480     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?        ?        ?   64.870     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?        ?        ?   27.370     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?        ?        ?   60.840     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?        ?        ?   77.470     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?        ?        ?   74.100     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?        ?        ?   63.840     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?        ?        ?   41.400     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?        ?        ?   24.330     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?        ?        ?   46.870     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?        ?        ?   49.410     ?     ?     ?     ?  ?           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    4  HH11   1  0.45  1.81  
 2    4  HG2    1  0.45  1.81  
 3   40  OG1    2  0.42  2.18  
 4   46  HD22   3  0.58  1.85  
 5   49  HB3    4  0.58  1.85  
 6   49  OD1    5  0.43  2.50  
 7   52  N      5  0.43  2.50  
 8   53  HB3    4  0.58  1.85  
 9   55  HG22   3  0.58  1.85  
10   63  HB3    2  0.42  2.18  
11   64  HB3    6  0.60  1.83  
12   67  NZ     7  0.80  2.14  
13   69  O      7  0.80  2.14  
14   71  HB2    8  0.48  2.14  
15   72  H      9  0.45  1.53  
16   72  HG2    9  0.45  1.53  
17   73  OD1    8  0.48  2.14  
18   77  HB3    6  0.60  1.83  
19   77  HB1   10  0.50  1.93  
20   80  HB2   11  0.78  1.65  
21   82  HG12  12  0.51  1.91  
22   85  HB3   13  0.62  1.81  
23   88  HG3   13  0.62  1.81  
24   93  HD23  12  0.51  1.91  
25   93  HD21  10  0.50  1.93  
26   95  HB3   11  0.78  1.65  
27   98  HG3   14  0.47  1.97  
28  107  HG3   14  0.47  1.97  
29  134  HH21  15  0.57  1.70  
30  138  HB2   15  0.57  1.70  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1  51  CB  CA  C     93.518  110.400  2.000  -8.44  
2  71  CB  CG  OD2  122.943  118.300  0.900   5.16  
3  94  CB  CA  C    121.712  111.600  2.000   5.06  
#
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   7  0.512  0.326   2.289  
  2    2   6  0.541  0.309   1.996  
  3    3   8  0.761  0.328   1.997  
  4    4  11  0.740  0.345   1.754  
  5    5   9  0.782  0.416   2.521  
  6    6   9  0.889  0.229   0.428  
  7    7   7  0.964  0.158  -0.128  
  8    8   8  0.954  0.254   0.963  
  9    9  11  0.917  0.277   0.906  
 10   10   7  0.968  0.168  -0.198  
 11   11   9  0.925  0.197   0.026  
 12   12   5  0.942  0.143  -0.347  
 13   13   8  0.952  0.165  -0.179  
 14   14   6  0.928  0.161  -0.065  
 15   15   5  0.979  0.180   0.188  
 16   16   9  0.936  0.253   0.560  
 17   17   8  0.843  0.406   3.040  
 18   18   8  0.925  0.159  -0.259  
 19   19   8  0.903  0.202   0.315  
 20   20   9  0.762  0.256   0.405  
 21   21   9  0.844  0.238   0.541  
 22   22   4  0.860  0.187   0.351  
 23   23   7  0.919  0.211   0.433  
 24   24   5  0.968  0.207   0.579  
 25   25   7  0.967  0.185   0.051  
 26   26  12  0.930  0.205   0.442  
 27   27  11  0.930  0.197  -0.091  
 28   28   4  0.964  0.135  -0.340  
 29   29   8  0.943  0.184   0.075  
 30   30   7  0.950  0.161  -0.301  
 31   31   7  0.933  0.189   0.110  
 32   32   7  0.932  0.199   0.257  
 33   33   7  0.958  0.219   0.726  
 34   34   9  0.943  0.173  -0.275  
 35   35   4  0.973  0.132  -0.380  
 36   36   6  0.938  0.158  -0.107  
 37   37   7  0.946  0.178   0.128  
 38   38   9  0.952  0.219  -0.017  
 39   39   8  0.954  0.236   0.628  
 40   40   7  0.971  0.174   0.070  
 41   41   4  0.941  0.194   0.444  
 42   42   8  0.949  0.137  -0.543  
 43   43   7  0.914  0.173   0.055  
 44   44   7  0.961  0.163  -0.271  
 45   45   7  0.951  0.152  -0.251  
 46   46   8  0.932  0.247   0.784  
 47   47   9  0.894  0.282   0.701  
 48   48   9  0.833  0.298   1.294  
 49   49   8  0.803  0.266   1.170  
 50   50   9  0.549  0.330   1.249  
 51   51   8  0.618  0.397   3.029  
 52   52   4  0.658  0.259   1.307  
 53   53   9  0.813  0.207   0.006  
 54   54   7  0.940  0.172  -0.139  
 55   55   7  0.959  0.193   0.169  
 56   56   7  0.930  0.157  -0.178  
 57   57   6  0.958  0.141  -0.344  
 58   58   7  0.937  0.190   0.125  
 59   59   4  0.967  0.116  -0.592  
 60   60   9  0.953  0.164  -0.644  
 61   61   7  0.967  0.126  -0.588  
 62   62   5  0.920  0.174   0.101  
 63   63  12  0.959  0.177   0.015  
 64   64  12  0.965  0.182   0.091  
 65   65   9  0.952  0.169  -0.451  
 66   66   9  0.928  0.198   0.039  
 67   67   9  0.778  0.312   1.043  
 68   68   7  0.857  0.317   2.160  
 69   69   5  0.748  0.362   2.822  
 70   70   7  0.498  0.388   3.181  
 71   71   8  0.373  0.481   4.040  
 72   72   9  0.591  0.483   2.993  
 73   73   8  0.549  0.445   3.559  
 74   74   7  0.849  0.198   0.242  
 75   75   7  0.881  0.202   0.478  
 76   76   9  0.938  0.192  -0.325  
 77   77   5  0.955  0.164  -0.043  
 78   78  12  0.940  0.215   0.595  
 79   79   4  0.944  0.214   0.709  
 80   80   8  0.960  0.160  -0.450  
 81   81   7  0.928  0.178   0.128  
 82   82   8  0.937  0.170  -0.281  
 83   83   9  0.962  0.166  -0.363  
 84   84  12  0.936  0.206   0.457  
 85   85  11  0.959  0.212   0.422  
 86   86   7  0.951  0.161  -0.301  
 87   87   7  0.958  0.140  -0.426  
 88   88   9  0.913  0.281   1.080  
 89   89   8  0.953  0.123  -0.735  
 90   90  11  0.892  0.235   0.383  
 91   91   7  0.951  0.200   0.271  
 92   92   7  0.907  0.203   0.315  
 93   93   8  0.968  0.178  -0.194  
 94   94   8  0.885  0.286   1.437  
 95   95   8  0.925  0.217   0.515  
 96   96   9  0.902  0.178  -0.212  
 97   97   5  0.932  0.185   0.260  
 98   98   9  0.870  0.256   0.405  
 99   99   7  0.970  0.236   0.799  
100  100   8  0.955  0.221   0.474  
101  101   9  0.880  0.211   0.202  
102  102   9  0.825  0.189  -0.211  
103  103   4  0.804  0.399   3.166  
104  104   8  0.891  0.212   0.488  
105  105   7  0.940  0.259   1.309  
106  106  11  0.892  0.398   3.102  
107  107   9  0.931  0.192  -0.174  
108  108   4  0.956  0.233   0.961  
109  109   9  0.970  0.125  -0.981  
110  110   9  0.948  0.172  -0.553  
111  111   8  0.956  0.195   0.089  
112  112   7  0.950  0.177  -0.066  
113  113  12  0.944  0.254   1.189  
114  114   8  0.905  0.197   0.248  
115  115   7  0.960  0.124  -0.659  
116  116   9  0.805  0.323   1.607  
117  117  11  0.770  0.371   2.079  
118  118   9  0.892  0.198   0.039  
119  119   8  0.936  0.184  -0.074  
120  120   7  0.949  0.219   0.550  
121  121   8  0.869  0.216   0.543  
122  122   5  0.904  0.202   0.507  
123  123   4  0.959  0.227   0.882  
124  124  11  0.949  0.186  -0.228  
125  125   5  0.938  0.161  -0.087  
126  126   7  0.857  0.248   1.149  
127  127   4  0.890  0.187   0.351  
128  128   6  0.780  0.322   2.177  
129  129   9  0.673  0.425   2.887  
130  130   7  0.937  0.232   0.740  
131  131   7  0.961  0.156  -0.192  
132  132   6  0.889  0.194   0.394  
133  133   7  0.960  0.120  -0.675  
134  134  11  0.961  0.162  -0.527  
135  135   7  0.941  0.197   0.433  
136  136  11  0.926  0.205   0.009  
137  137   8  0.904  0.207   0.267  
138  138   8  0.920  0.210   0.422  
139  139   8  0.930  0.214   0.615  
140  140   7  0.924  0.242   0.887  
141  141   8  0.861  0.251   0.919  
142  142   9  0.859  0.317   1.532  
143  143   7  0.787  0.261   1.354  
144  144   1  0.619  0.541       ?  
145  145   1  0.960  0.119       ?  
146  146   1  0.922  0.123       ?  
147  147   1  0.725  0.417       ?  
148  148   1  0.931  0.199       ?  
149  149   1  0.568  0.383       ?  
150  150   1  0.696  0.425       ?  
151  151   1  0.853  0.326       ?  
152  152   1  0.303  1.319       ?  
153  153   1  0.235  0.706       ?  
154  154   1  0.715  0.522       ?  
155  155   1  0.925  0.262       ?  
156  156   1  0.984  0.230       ?  
157  157   1  0.775  0.284       ?  
158  158   1  0.162  0.554       ?  
159  159   1  0.650  0.437       ?  
160  160   1  0.782  0.410       ?  
161  161   1  0.858  0.328       ?  
162  162   1  0.646  0.497       ?  
163  163   1  0.640  0.463       ?  
164  164   1  0.760  0.393       ?  
165  165   1  0.884  0.299       ?  
166  166   1  0.911  0.564       ?  
167  167   1  0.781  0.270       ?  
168  168   1  0.332  0.516       ?  
169  169   1  0.125  0.696       ?  
170  170   1  0.653  0.408       ?  
171  171   1  0.577  0.308       ?  
172  172   1  0.735  0.298       ?  
173  173   1  0.880  0.272       ?  
174  174   1  0.881  0.286       ?  
175  175   1  0.414  0.526       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
