data_6NT9

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6NT9      
EMDB  EMD-0506  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   "electron microscopy"
#
_pdbx_vrpt_summary.entry_id                    6NT9
_pdbx_vrpt_summary.PDB_deposition_date         2019-01-28
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2024-03-20
_pdbx_vrpt_summary.EMDB_deposition_date        2019-01-28
_pdbx_vrpt_summary.report_creation_date        2024-03-09:12:10
_pdbx_vrpt_summary.attempted_validation_steps  visualanalysis,molprobity,validation-pack,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  "Serine/threonine-protein kinase TBK1"  
2  polymer  "Stimulator of interferon genes protein"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  1  
D  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb  
2  all  "electron microscopy"  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
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   92.99  158937  ?     ?     
2  2  1   91.46    4297  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00    4023  ?     ?     
5  1  3  100.00  154315  ?     ?     
6  2  3  100.00    3826  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A  100.00  
 4  6  3  A  1  1  A  100.00  
 5  3  2  B  1  2  C  100.00  
 6  4  2  B  1  2  C  100.00  
 7  5  3  B  1  2  C  100.00  
 8  6  3  B  1  2  C  100.00  
 9  3  2  C  1  1  B  100.00  
10  4  2  C  1  1  B  100.00  
11  5  3  C  1  1  B  100.00  
12  6  3  C  1  1  B  100.00  
13  3  2  D  1  2  D  100.00  
14  4  2  D  1  2  D  100.00  
15  5  3  D  1  2  D  100.00  
16  6  3  D  1  2  D  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.55  0.49  4979  6722  
2  1  2  B  C  0.70  0.39    73    99  
3  1  1  C  B  0.55  0.49  4979  6722  
4  1  2  D  D  0.70  0.39    73    99  
#
loop_
_pdbx_vrpt_summary_entity_fit_to_map.ordinal
_pdbx_vrpt_summary_entity_fit_to_map.PDB_model_num
_pdbx_vrpt_summary_entity_fit_to_map.entity_id
_pdbx_vrpt_summary_entity_fit_to_map.label_asym_id
_pdbx_vrpt_summary_entity_fit_to_map.auth_asym_id
_pdbx_vrpt_summary_entity_fit_to_map.average_residue_inclusion
_pdbx_vrpt_summary_entity_fit_to_map.Q_score
1  1  1  A  A  0.8184  0.524  
2  1  2  B  C  0.7540  0.509  
3  1  1  C  B  0.8244  0.523  
4  1  2  D  D  0.7645  0.510  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     1.31
_pdbx_vrpt_summary_geometry.num_H_reduce                   9890
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 10104
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.49
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                13642
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.55
#
_pdbx_vrpt_summary_em.exp_method                                           "electron microscopy"
_pdbx_vrpt_summary_em.ordinal                                              1
_pdbx_vrpt_summary_em.contour_level_primary_map                            0.048
_pdbx_vrpt_summary_em.atom_inclusion_all_atoms                             0.8220
_pdbx_vrpt_summary_em.atom_inclusion_backbone                              0.8870
_pdbx_vrpt_summary_em.author_provided_fsc_resolution_by_cutoff_pt_143      3.31
_pdbx_vrpt_summary_em.author_provided_fsc_resolution_by_cutoff_pt_333      3.51
_pdbx_vrpt_summary_em.author_provided_fsc_resolution_by_cutoff_pt_5        3.74
_pdbx_vrpt_summary_em.author_provided_fsc_resolution_by_cutoff_halfbit     3.35
_pdbx_vrpt_summary_em.author_provided_fsc_resolution_by_cutoff_onebit      3.52
_pdbx_vrpt_summary_em.author_provided_fsc_resolution_by_cutoff_threesigma  3.03
_pdbx_vrpt_summary_em.EMDB_resolution                                      3.3
_pdbx_vrpt_summary_em.Q_score                                              0.524
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
   1  1  1  A    1  MET  A    1  .  ?        1  
   2  1  1  A    2  GLN  A    2  .  ?        ?  
   3  1  1  A    3  SER  A    3  .  ?        ?  
   4  1  1  A    4  THR  A    4  .  ?        ?  
   5  1  1  A    5  SER  A    5  .  ?        ?  
   6  1  1  A    6  ASN  A    6  .  ?        ?  
   7  1  1  A    7  HIS  A    7  .  ?        ?  
   8  1  1  A    8  LEU  A    8  .  ?        ?  
   9  1  1  A    9  TRP  A    9  .  ?        ?  
  10  1  1  A   10  LEU  A   10  .  ?        1  
  11  1  1  A   11  LEU  A   11  .  ?        ?  
  12  1  1  A   12  SER  A   12  .  ?        ?  
  13  1  1  A   13  ASP  A   13  .  ?        ?  
  14  1  1  A   14  ILE  A   14  .  ?        ?  
  15  1  1  A   15  LEU  A   15  .  ?        ?  
  16  1  1  A   16  GLY  A   16  .  ?        ?  
  17  1  1  A   17  GLN  A   17  .  ?        ?  
  18  1  1  A   18  GLY  A   18  .  ?        ?  
  19  1  1  A   19  ALA  A   19  .  ?        ?  
  20  1  1  A   20  THR  A   20  .  ?        ?  
  21  1  1  A   21  ALA  A   21  .  ?        ?  
  22  1  1  A   22  ASN  A   22  .  ?        ?  
  23  1  1  A   23  VAL  A   23  .  ?        ?  
  24  1  1  A   24  PHE  A   24  .  ?        ?  
  25  1  1  A   25  ARG  A   25  .  ?        ?  
  26  1  1  A   26  GLY  A   26  .  ?        ?  
  27  1  1  A   27  ARG  A   27  .  ?        ?  
  28  1  1  A   28  HIS  A   28  .  ?        ?  
  29  1  1  A   29  LYS  A   29  .  ?        ?  
  30  1  1  A   30  LYS  A   30  .  ?        ?  
  31  1  1  A   31  THR  A   31  .  ?        ?  
  32  1  1  A   32  GLY  A   32  .  ?        ?  
  33  1  1  A   33  ASP  A   33  .  ?        ?  
  34  1  1  A   34  LEU  A   34  .  ?        ?  
  35  1  1  A   35  PHE  A   35  .  ?        ?  
  36  1  1  A   36  ALA  A   36  .  ?        ?  
  37  1  1  A   37  ILE  A   37  .  ?        ?  
  38  1  1  A   38  LYS  A   38  .  ?        ?  
  39  1  1  A   39  VAL  A   39  .  ?        1  
  40  1  1  A   40  PHE  A   40  .  ?        ?  
  41  1  1  A   41  ASN  A   41  .  ?        ?  
  42  1  1  A   42  ASN  A   42  .  ?        ?  
  43  1  1  A   49  VAL  A   49  .  ?        ?  
  44  1  1  A   50  ASP  A   50  .  ?        ?  
  45  1  1  A   51  VAL  A   51  .  ?        ?  
  46  1  1  A   52  GLN  A   52  .  ?        ?  
  47  1  1  A   53  MET  A   53  .  ?        ?  
  48  1  1  A   54  ARG  A   54  .  ?        ?  
  49  1  1  A   55  GLU  A   55  .  ?        ?  
  50  1  1  A   56  PHE  A   56  .  ?        ?  
  51  1  1  A   57  GLU  A   57  .  ?        ?  
  52  1  1  A   58  VAL  A   58  .  ?        ?  
  53  1  1  A   59  LEU  A   59  .  ?        ?  
  54  1  1  A   60  LYS  A   60  .  ?        ?  
  55  1  1  A   61  LYS  A   61  .  ?        ?  
  56  1  1  A   62  LEU  A   62  .  ?        ?  
  57  1  1  A   63  ASN  A   63  .  ?        ?  
  58  1  1  A   64  HIS  A   64  .  ?        ?  
  59  1  1  A   65  LYS  A   65  .  ?        ?  
  60  1  1  A   66  ASN  A   66  .  ?        ?  
  61  1  1  A   67  ILE  A   67  .  ?        ?  
  62  1  1  A   68  VAL  A   68  .  ?        ?  
  63  1  1  A   69  LYS  A   69  .  ?        ?  
  64  1  1  A   70  LEU  A   70  .  ?        ?  
  65  1  1  A   71  PHE  A   71  .  ?        ?  
  66  1  1  A   72  ALA  A   72  .  ?        ?  
  67  1  1  A   73  ILE  A   73  .  ?        ?  
  68  1  1  A   74  GLU  A   74  .  ?        ?  
  69  1  1  A   75  GLU  A   75  .  ?        ?  
  70  1  1  A   76  GLU  A   76  .  ?        ?  
  71  1  1  A   77  THR  A   77  .  ?        ?  
  72  1  1  A   78  THR  A   78  .  ?        ?  
  73  1  1  A   79  THR  A   79  .  ?        ?  
  74  1  1  A   80  ARG  A   80  .  ?        ?  
  75  1  1  A   81  HIS  A   81  .  ?        ?  
  76  1  1  A   82  LYS  A   82  .  ?        ?  
  77  1  1  A   83  VAL  A   83  .  ?        1  
  78  1  1  A   84  LEU  A   84  .  ?        ?  
  79  1  1  A   85  ILE  A   85  .  ?        ?  
  80  1  1  A   86  MET  A   86  .  ?        ?  
  81  1  1  A   87  GLU  A   87  .  ?        ?  
  82  1  1  A   88  PHE  A   88  .  ?        ?  
  83  1  1  A   89  CYS  A   89  .  ?        ?  
  84  1  1  A   90  PRO  A   90  .  ?        ?  
  85  1  1  A   91  CYS  A   91  .  ?        ?  
  86  1  1  A   92  GLY  A   92  .  ?        ?  
  87  1  1  A   93  SER  A   93  .  ?        ?  
  88  1  1  A   94  LEU  A   94  .  ?        ?  
  89  1  1  A   95  TYR  A   95  .  ?        ?  
  90  1  1  A   96  THR  A   96  .  ?        ?  
  91  1  1  A   97  VAL  A   97  .  ?        ?  
  92  1  1  A   98  LEU  A   98  .  ?        ?  
  93  1  1  A   99  GLU  A   99  .  ?        ?  
  94  1  1  A  100  GLU  A  100  .  ?        ?  
  95  1  1  A  101  PRO  A  101  .  ?        ?  
  96  1  1  A  102  SER  A  102  .  ?        ?  
  97  1  1  A  103  ASN  A  103  .  ?        ?  
  98  1  1  A  104  ALA  A  104  .  ?        ?  
  99  1  1  A  105  TYR  A  105  .  ?        ?  
 100  1  1  A  106  GLY  A  106  .  ?        ?  
 101  1  1  A  107  LEU  A  107  .  ?        ?  
 102  1  1  A  108  PRO  A  108  .  ?        ?  
 103  1  1  A  109  GLU  A  109  .  ?        ?  
 104  1  1  A  110  SER  A  110  .  ?        ?  
 105  1  1  A  111  GLU  A  111  .  ?        ?  
 106  1  1  A  112  PHE  A  112  .  ?        ?  
 107  1  1  A  113  LEU  A  113  .  ?        ?  
 108  1  1  A  114  ILE  A  114  .  ?        ?  
 109  1  1  A  115  VAL  A  115  .  ?        ?  
 110  1  1  A  116  LEU  A  116  .  ?        ?  
 111  1  1  A  117  ARG  A  117  .  ?        ?  
 112  1  1  A  118  ASP  A  118  .  ?        ?  
 113  1  1  A  119  VAL  A  119  .  ?        ?  
 114  1  1  A  120  VAL  A  120  .  ?        ?  
 115  1  1  A  121  GLY  A  121  .  ?        ?  
 116  1  1  A  122  GLY  A  122  .  ?        ?  
 117  1  1  A  123  MET  A  123  .  ?        ?  
 118  1  1  A  124  ASN  A  124  .  ?        ?  
 119  1  1  A  125  HIS  A  125  .  ?        ?  
 120  1  1  A  126  LEU  A  126  .  ?        ?  
 121  1  1  A  127  ARG  A  127  .  ?        ?  
 122  1  1  A  128  GLU  A  128  .  ?        ?  
 123  1  1  A  129  ASN  A  129  .  ?        ?  
 124  1  1  A  130  GLY  A  130  .  ?        ?  
 125  1  1  A  131  ILE  A  131  .  ?        ?  
 126  1  1  A  132  VAL  A  132  .  ?        ?  
 127  1  1  A  133  HIS  A  133  .  ?        1  
 128  1  1  A  134  ARG  A  134  .  ?        1  
 129  1  1  A  135  ASN  A  135  .  ?        ?  
 130  1  1  A  136  ILE  A  136  .  ?        ?  
 131  1  1  A  137  LYS  A  137  .  ?        ?  
 132  1  1  A  138  PRO  A  138  .  ?        ?  
 133  1  1  A  139  GLY  A  139  .  ?        ?  
 134  1  1  A  140  ASN  A  140  .  ?        ?  
 135  1  1  A  141  ILE  A  141  .  ?        ?  
 136  1  1  A  142  MET  A  142  .  ?        ?  
 137  1  1  A  143  ARG  A  143  .  ?        ?  
 138  1  1  A  144  VAL  A  144  .  ?        ?  
 139  1  1  A  145  ILE  A  145  .  ?        ?  
 140  1  1  A  146  GLY  A  146  .  ?        ?  
 141  1  1  A  147  GLU  A  147  .  ?        ?  
 142  1  1  A  148  ASP  A  148  .  ?        ?  
 143  1  1  A  149  GLY  A  149  .  ?        ?  
 144  1  1  A  150  GLN  A  150  .  ?        ?  
 145  1  1  A  151  SER  A  151  .  ?        ?  
 146  1  1  A  152  VAL  A  152  .  ?        ?  
 147  1  1  A  153  TYR  A  153  .  ?        ?  
 148  1  1  A  154  LYS  A  154  .  ?        ?  
 149  1  1  A  155  LEU  A  155  .  ?        ?  
 150  1  1  A  156  THR  A  156  .  ?        ?  
 151  1  1  A  157  ASP  A  157  .  ?        ?  
 152  1  1  A  158  PHE  A  158  .  ?        1  
 153  1  1  A  159  GLY  A  159  .  ?        1  
 154  1  1  A  175  GLY  A  175  .  ?        ?  
 155  1  1  A  176  THR  A  176  .  ?        ?  
 156  1  1  A  177  GLU  A  177  .  ?        ?  
 157  1  1  A  178  GLU  A  178  .  ?        ?  
 158  1  1  A  179  TYR  A  179  .  ?        ?  
 159  1  1  A  180  LEU  A  180  .  ?        ?  
 160  1  1  A  181  HIS  A  181  .  ?        ?  
 161  1  1  A  182  PRO  A  182  .  ?        ?  
 162  1  1  A  183  ASP  A  183  .  ?        ?  
 163  1  1  A  200  ALA  A  200  .  ?        ?  
 164  1  1  A  201  THR  A  201  .  ?        ?  
 165  1  1  A  202  VAL  A  202  .  ?        ?  
 166  1  1  A  203  ASP  A  203  .  ?        ?  
 167  1  1  A  204  LEU  A  204  .  ?        ?  
 168  1  1  A  205  TRP  A  205  .  ?        ?  
 169  1  1  A  206  SER  A  206  .  ?        ?  
 170  1  1  A  207  ILE  A  207  .  ?        ?  
 171  1  1  A  208  GLY  A  208  .  ?        ?  
 172  1  1  A  209  VAL  A  209  .  ?        ?  
 173  1  1  A  210  THR  A  210  .  ?        ?  
 174  1  1  A  211  PHE  A  211  .  ?        ?  
 175  1  1  A  212  TYR  A  212  .  ?        ?  
 176  1  1  A  213  HIS  A  213  .  ?        ?  
 177  1  1  A  214  ALA  A  214  .  ?        ?  
 178  1  1  A  215  ALA  A  215  .  ?        ?  
 179  1  1  A  216  THR  A  216  .  ?        ?  
 180  1  1  A  217  GLY  A  217  .  ?        ?  
 181  1  1  A  218  SER  A  218  .  ?        ?  
 182  1  1  A  219  LEU  A  219  .  ?        ?  
 183  1  1  A  220  PRO  A  220  .  ?        ?  
 184  1  1  A  221  PHE  A  221  .  ?        ?  
 185  1  1  A  222  ARG  A  222  .  ?        ?  
 186  1  1  A  223  PRO  A  223  .  ?        ?  
 187  1  1  A  224  PHE  A  224  .  ?        ?  
 188  1  1  A  225  GLU  A  225  .  ?        ?  
 189  1  1  A  231  LYS  A  231  .  ?        ?  
 190  1  1  A  232  GLU  A  232  .  ?        ?  
 191  1  1  A  233  VAL  A  233  .  ?        ?  
 192  1  1  A  234  MET  A  234  .  ?        ?  
 193  1  1  A  235  TYR  A  235  .  ?        ?  
 194  1  1  A  236  LYS  A  236  .  ?        ?  
 195  1  1  A  237  ILE  A  237  .  ?        ?  
 196  1  1  A  238  ILE  A  238  .  ?        ?  
 197  1  1  A  239  THR  A  239  .  ?        ?  
 198  1  1  A  240  GLY  A  240  .  ?        ?  
 199  1  1  A  241  LYS  A  241  .  ?        ?  
 200  1  1  A  242  PRO  A  242  .  ?        ?  
 201  1  1  A  243  SER  A  243  .  ?        ?  
 202  1  1  A  244  GLY  A  244  .  ?        ?  
 203  1  1  A  245  ALA  A  245  .  ?        ?  
 204  1  1  A  246  ILE  A  246  .  ?        ?  
 205  1  1  A  247  SER  A  247  .  ?        ?  
 206  1  1  A  248  GLY  A  248  .  ?        ?  
 207  1  1  A  249  VAL  A  249  .  ?        ?  
 208  1  1  A  250  GLN  A  250  .  ?        ?  
 209  1  1  A  251  LYS  A  251  .  ?        ?  
 210  1  1  A  252  ALA  A  252  .  ?        ?  
 211  1  1  A  253  GLU  A  253  .  ?        ?  
 212  1  1  A  254  ASN  A  254  .  ?        ?  
 213  1  1  A  255  GLY  A  255  .  ?        ?  
 214  1  1  A  256  PRO  A  256  .  ?        ?  
 215  1  1  A  257  ILE  A  257  .  ?        ?  
 216  1  1  A  258  ASP  A  258  .  ?        ?  
 217  1  1  A  259  TRP  A  259  .  ?        ?  
 218  1  1  A  260  SER  A  260  .  ?        ?  
 219  1  1  A  261  GLY  A  261  .  ?        ?  
 220  1  1  A  262  ASP  A  262  .  ?        ?  
 221  1  1  A  263  MET  A  263  .  ?        ?  
 222  1  1  A  264  PRO  A  264  .  ?        ?  
 223  1  1  A  265  VAL  A  265  .  ?        ?  
 224  1  1  A  266  SER  A  266  .  ?        ?  
 225  1  1  A  267  CYS  A  267  .  ?        ?  
 226  1  1  A  268  SER  A  268  .  ?        ?  
 227  1  1  A  269  LEU  A  269  .  ?        ?  
 228  1  1  A  270  SER  A  270  .  ?        ?  
 229  1  1  A  271  ARG  A  271  .  ?        ?  
 230  1  1  A  272  GLY  A  272  .  ?        ?  
 231  1  1  A  273  LEU  A  273  .  ?        ?  
 232  1  1  A  274  GLN  A  274  .  ?        ?  
 233  1  1  A  275  VAL  A  275  .  ?        ?  
 234  1  1  A  276  LEU  A  276  .  ?        ?  
 235  1  1  A  277  LEU  A  277  .  ?        ?  
 236  1  1  A  278  THR  A  278  .  ?        ?  
 237  1  1  A  279  PRO  A  279  .  ?        ?  
 238  1  1  A  280  VAL  A  280  .  ?        ?  
 239  1  1  A  281  LEU  A  281  .  ?        ?  
 240  1  1  A  282  ALA  A  282  .  ?        ?  
 241  1  1  A  283  ASN  A  283  .  ?        ?  
 242  1  1  A  284  ILE  A  284  .  ?        ?  
 243  1  1  A  285  LEU  A  285  .  ?        ?  
 244  1  1  A  286  GLU  A  286  .  ?        ?  
 245  1  1  A  287  ALA  A  287  .  ?        ?  
 246  1  1  A  288  ASP  A  288  .  ?        ?  
 247  1  1  A  289  GLN  A  289  .  ?        ?  
 248  1  1  A  290  GLU  A  290  .  ?        ?  
 249  1  1  A  291  LYS  A  291  .  ?        ?  
 250  1  1  A  292  CYS  A  292  .  ?        ?  
 251  1  1  A  293  TRP  A  293  .  ?        ?  
 252  1  1  A  294  GLY  A  294  .  ?        ?  
 253  1  1  A  295  PHE  A  295  .  ?        ?  
 254  1  1  A  296  ASP  A  296  .  ?        ?  
 255  1  1  A  297  GLN  A  297  .  ?        ?  
 256  1  1  A  298  PHE  A  298  .  ?        ?  
 257  1  1  A  299  PHE  A  299  .  ?        ?  
 258  1  1  A  300  ALA  A  300  .  ?        ?  
 259  1  1  A  301  GLU  A  301  .  ?        ?  
 260  1  1  A  302  THR  A  302  .  ?        ?  
 261  1  1  A  303  SER  A  303  .  ?        ?  
 262  1  1  A  304  ASP  A  304  .  ?        ?  
 263  1  1  A  305  ILE  A  305  .  ?        ?  
 264  1  1  A  306  LEU  A  306  .  ?        ?  
 265  1  1  A  307  HIS  A  307  .  ?        ?  
 266  1  1  A  308  ARG  A  308  .  ?        ?  
 267  1  1  A  309  MET  A  309  .  ?        ?  
 268  1  1  A  310  VAL  A  310  .  ?        ?  
 269  1  1  A  311  ILE  A  311  .  ?        ?  
 270  1  1  A  312  HIS  A  312  .  ?        ?  
 271  1  1  A  313  VAL  A  313  .  ?        ?  
 272  1  1  A  314  PHE  A  314  .  ?        ?  
 273  1  1  A  315  SER  A  315  .  ?        ?  
 274  1  1  A  316  LEU  A  316  .  ?        ?  
 275  1  1  A  317  GLN  A  317  .  ?        ?  
 276  1  1  A  318  GLN  A  318  .  ?        ?  
 277  1  1  A  319  MET  A  319  .  ?        ?  
 278  1  1  A  320  THR  A  320  .  ?        ?  
 279  1  1  A  321  ALA  A  321  .  ?        ?  
 280  1  1  A  322  HIS  A  322  .  ?        ?  
 281  1  1  A  323  LYS  A  323  .  ?        ?  
 282  1  1  A  324  ILE  A  324  .  ?        ?  
 283  1  1  A  325  TYR  A  325  .  ?        ?  
 284  1  1  A  326  ILE  A  326  .  ?        ?  
 285  1  1  A  327  HIS  A  327  .  ?        ?  
 286  1  1  A  328  SER  A  328  .  ?        ?  
 287  1  1  A  329  TYR  A  329  .  ?        ?  
 288  1  1  A  330  ASN  A  330  .  ?        ?  
 289  1  1  A  331  THR  A  331  .  ?        ?  
 290  1  1  A  332  ALA  A  332  .  ?        ?  
 291  1  1  A  333  THR  A  333  .  ?        ?  
 292  1  1  A  334  ILE  A  334  .  ?        ?  
 293  1  1  A  335  PHE  A  335  .  ?        ?  
 294  1  1  A  336  HIS  A  336  .  ?        ?  
 295  1  1  A  337  GLU  A  337  .  ?        ?  
 296  1  1  A  338  LEU  A  338  .  ?        ?  
 297  1  1  A  339  VAL  A  339  .  ?        ?  
 298  1  1  A  340  TYR  A  340  .  ?        ?  
 299  1  1  A  341  LYS  A  341  .  ?        ?  
 300  1  1  A  342  GLN  A  342  .  ?        ?  
 301  1  1  A  343  THR  A  343  .  ?        ?  
 302  1  1  A  344  LYS  A  344  .  ?        ?  
 303  1  1  A  345  ILE  A  345  .  ?        ?  
 304  1  1  A  346  ILE  A  346  .  ?        ?  
 305  1  1  A  347  SER  A  347  .  ?        ?  
 306  1  1  A  348  SER  A  348  .  ?        ?  
 307  1  1  A  349  ASN  A  349  .  ?        ?  
 308  1  1  A  350  GLN  A  350  .  ?        ?  
 309  1  1  A  351  GLU  A  351  .  ?        1  
 310  1  1  A  352  LEU  A  352  .  ?        ?  
 311  1  1  A  353  ILE  A  353  .  ?        ?  
 312  1  1  A  354  TYR  A  354  .  ?        ?  
 313  1  1  A  355  GLU  A  355  .  ?        ?  
 314  1  1  A  356  GLY  A  356  .  ?        ?  
 315  1  1  A  357  ARG  A  357  .  ?        2  
 316  1  1  A  358  ARG  A  358  .  ?        ?  
 317  1  1  A  359  LEU  A  359  .  ?        ?  
 318  1  1  A  360  VAL  A  360  .  ?        ?  
 319  1  1  A  361  LEU  A  361  .  ?        ?  
 320  1  1  A  362  GLU  A  362  .  ?        ?  
 321  1  1  A  363  PRO  A  363  .  ?        ?  
 322  1  1  A  364  GLY  A  364  .  ?        ?  
 323  1  1  A  365  ARG  A  365  .  ?        ?  
 324  1  1  A  366  LEU  A  366  .  ?        ?  
 325  1  1  A  367  ALA  A  367  .  ?        ?  
 326  1  1  A  368  GLN  A  368  .  ?        ?  
 327  1  1  A  369  HIS  A  369  .  ?        ?  
 328  1  1  A  370  PHE  A  370  .  ?        ?  
 329  1  1  A  371  PRO  A  371  .  ?        ?  
 330  1  1  A  372  LYS  A  372  .  ?        ?  
 331  1  1  A  373  THR  A  373  .  ?        ?  
 332  1  1  A  374  THR  A  374  .  ?        ?  
 333  1  1  A  375  GLU  A  375  .  ?        ?  
 334  1  1  A  376  GLU  A  376  .  ?        ?  
 335  1  1  A  377  ASN  A  377  .  ?        ?  
 336  1  1  A  378  PRO  A  378  .  ?        ?  
 337  1  1  A  379  ILE  A  379  .  ?        ?  
 338  1  1  A  380  PHE  A  380  .  ?        ?  
 339  1  1  A  381  VAL  A  381  .  ?        ?  
 340  1  1  A  382  VAL  A  382  .  ?        ?  
 341  1  1  A  383  SER  A  383  .  ?        1  
 342  1  1  A  384  ARG  A  384  .  ?        1  
 343  1  1  A  385  GLU  A  385  .  ?        ?  
 344  1  1  A  386  PRO  A  386  .  ?        ?  
 345  1  1  A  387  LEU  A  387  .  ?        ?  
 346  1  1  A  388  ASN  A  388  .  ?        ?  
 347  1  1  A  389  THR  A  389  .  ?        ?  
 348  1  1  A  390  ILE  A  390  .  ?        ?  
 349  1  1  A  391  GLY  A  391  .  ?        ?  
 350  1  1  A  392  LEU  A  392  .  ?        ?  
 351  1  1  A  393  ILE  A  393  .  ?        ?  
 352  1  1  A  394  TYR  A  394  .  ?        ?  
 353  1  1  A  395  GLU  A  395  .  ?        ?  
 354  1  1  A  396  LYS  A  396  .  ?        ?  
 355  1  1  A  397  ILE  A  397  .  ?        ?  
 356  1  1  A  398  SER  A  398  .  ?        ?  
 357  1  1  A  399  LEU  A  399  .  ?        ?  
 358  1  1  A  400  PRO  A  400  .  ?        ?  
 359  1  1  A  401  LYS  A  401  .  ?        ?  
 360  1  1  A  402  VAL  A  402  .  ?        ?  
 361  1  1  A  403  HIS  A  403  .  ?        ?  
 362  1  1  A  404  PRO  A  404  .  ?        ?  
 363  1  1  A  405  ARG  A  405  .  ?        ?  
 364  1  1  A  406  TYR  A  406  .  ?        ?  
 365  1  1  A  407  ASP  A  407  .  ?        ?  
 366  1  1  A  408  LEU  A  408  .  ?        ?  
 367  1  1  A  409  ASP  A  409  .  ?        ?  
 368  1  1  A  410  GLY  A  410  .  ?        ?  
 369  1  1  A  411  ASP  A  411  .  ?        ?  
 370  1  1  A  412  ALA  A  412  .  ?        ?  
 371  1  1  A  413  SER  A  413  .  ?        ?  
 372  1  1  A  414  MET  A  414  .  ?        ?  
 373  1  1  A  415  ALA  A  415  .  ?        ?  
 374  1  1  A  416  LYS  A  416  .  ?        ?  
 375  1  1  A  417  ALA  A  417  .  ?        ?  
 376  1  1  A  418  ILE  A  418  .  ?        ?  
 377  1  1  A  419  THR  A  419  .  ?        ?  
 378  1  1  A  420  GLY  A  420  .  ?        ?  
 379  1  1  A  421  VAL  A  421  .  ?        ?  
 380  1  1  A  422  VAL  A  422  .  ?        ?  
 381  1  1  A  423  CYS  A  423  .  ?        ?  
 382  1  1  A  424  TYR  A  424  .  ?        ?  
 383  1  1  A  425  ALA  A  425  .  ?        ?  
 384  1  1  A  426  CYS  A  426  .  ?        ?  
 385  1  1  A  427  ARG  A  427  .  ?        ?  
 386  1  1  A  428  ILE  A  428  .  ?        ?  
 387  1  1  A  429  ALA  A  429  .  ?        ?  
 388  1  1  A  430  SER  A  430  .  ?        ?  
 389  1  1  A  431  THR  A  431  .  ?        ?  
 390  1  1  A  432  LEU  A  432  .  ?        ?  
 391  1  1  A  433  LEU  A  433  .  ?        ?  
 392  1  1  A  434  LEU  A  434  .  ?        ?  
 393  1  1  A  435  TYR  A  435  .  ?        ?  
 394  1  1  A  436  GLN  A  436  .  ?        ?  
 395  1  1  A  437  GLU  A  437  .  ?        ?  
 396  1  1  A  438  LEU  A  438  .  ?        ?  
 397  1  1  A  439  MET  A  439  .  ?        ?  
 398  1  1  A  440  ARG  A  440  .  ?        ?  
 399  1  1  A  441  LYS  A  441  .  ?        ?  
 400  1  1  A  442  GLY  A  442  .  ?        ?  
 401  1  1  A  443  ILE  A  443  .  ?        ?  
 402  1  1  A  444  ARG  A  444  .  ?        ?  
 403  1  1  A  445  TRP  A  445  .  ?        ?  
 404  1  1  A  446  LEU  A  446  .  ?        ?  
 405  1  1  A  447  ILE  A  447  .  ?        ?  
 406  1  1  A  448  GLU  A  448  .  ?        ?  
 407  1  1  A  449  LEU  A  449  .  ?        ?  
 408  1  1  A  450  ILE  A  450  .  ?        ?  
 409  1  1  A  451  LYS  A  451  .  ?        ?  
 410  1  1  A  452  ASP  A  452  .  ?        ?  
 411  1  1  A  453  ASP  A  453  .  ?        ?  
 412  1  1  A  454  TYR  A  454  .  ?        ?  
 413  1  1  A  455  ASN  A  455  .  ?        ?  
 414  1  1  A  456  GLU  A  456  .  ?        ?  
 415  1  1  A  457  THR  A  457  .  ?        ?  
 416  1  1  A  458  VAL  A  458  .  ?        ?  
 417  1  1  A  459  HIS  A  459  .  ?        ?  
 418  1  1  A  460  LYS  A  460  .  ?        ?  
 419  1  1  A  461  LYS  A  461  .  ?        ?  
 420  1  1  A  462  THR  A  462  .  ?        ?  
 421  1  1  A  463  GLU  A  463  .  ?        ?  
 422  1  1  A  464  VAL  A  464  .  ?        ?  
 423  1  1  A  465  VAL  A  465  .  ?        ?  
 424  1  1  A  466  ILE  A  466  .  ?        ?  
 425  1  1  A  467  THR  A  467  .  ?        ?  
 426  1  1  A  468  LEU  A  468  .  ?        ?  
 427  1  1  A  469  ASP  A  469  .  ?        ?  
 428  1  1  A  470  PHE  A  470  .  ?        ?  
 429  1  1  A  471  CYS  A  471  .  ?        ?  
 430  1  1  A  472  ILE  A  472  .  ?        ?  
 431  1  1  A  473  ARG  A  473  .  ?        ?  
 432  1  1  A  474  ASN  A  474  .  ?        ?  
 433  1  1  A  475  ILE  A  475  .  ?        4  
 434  1  1  A  476  GLU  A  476  .  ?        ?  
 435  1  1  A  477  LYS  A  477  .  ?        ?  
 436  1  1  A  478  THR  A  478  .  ?        ?  
 437  1  1  A  479  VAL  A  479  .  ?        ?  
 438  1  1  A  480  LYS  A  480  .  ?        ?  
 439  1  1  A  481  VAL  A  481  .  ?        ?  
 440  1  1  A  482  TYR  A  482  .  ?        ?  
 441  1  1  A  483  GLU  A  483  .  ?        ?  
 442  1  1  A  484  LYS  A  484  .  ?        ?  
 443  1  1  A  496  GLY  A  496  .  ?        ?  
 444  1  1  A  497  GLU  A  497  .  ?        ?  
 445  1  1  A  498  ILE  A  498  .  ?        ?  
 446  1  1  A  499  SER  A  499  .  ?        ?  
 447  1  1  A  500  ASP  A  500  .  ?        ?  
 448  1  1  A  501  ILE  A  501  .  ?        ?  
 449  1  1  A  502  HIS  A  502  .  ?        ?  
 450  1  1  A  503  THR  A  503  .  ?        ?  
 451  1  1  A  504  LYS  A  504  .  ?        ?  
 452  1  1  A  505  LEU  A  505  .  ?        ?  
 453  1  1  A  506  LEU  A  506  .  ?        ?  
 454  1  1  A  507  ARG  A  507  .  ?        ?  
 455  1  1  A  508  LEU  A  508  .  ?        ?  
 456  1  1  A  509  SER  A  509  .  ?        ?  
 457  1  1  A  510  SER  A  510  .  ?        ?  
 458  1  1  A  511  SER  A  511  .  ?        ?  
 459  1  1  A  512  GLN  A  512  .  ?        ?  
 460  1  1  A  513  GLY  A  513  .  ?        ?  
 461  1  1  A  514  THR  A  514  .  ?        ?  
 462  1  1  A  515  ILE  A  515  .  ?        ?  
 463  1  1  A  516  GLU  A  516  .  ?        ?  
 464  1  1  A  517  THR  A  517  .  ?        ?  
 465  1  1  A  518  SER  A  518  .  ?        ?  
 466  1  1  A  519  LEU  A  519  .  ?        ?  
 467  1  1  A  520  GLN  A  520  .  ?        ?  
 468  1  1  A  521  ASP  A  521  .  ?        ?  
 469  1  1  A  522  ILE  A  522  .  ?        ?  
 470  1  1  A  523  ASP  A  523  .  ?        ?  
 471  1  1  A  524  SER  A  524  .  ?        ?  
 472  1  1  A  525  ARG  A  525  .  ?        ?  
 473  1  1  A  526  LEU  A  526  .  ?        ?  
 474  1  1  A  527  SER  A  527  .  ?        ?  
 475  1  1  A  528  PRO  A  528  .  ?        ?  
 476  1  1  A  529  GLY  A  529  .  ?        ?  
 477  1  1  A  530  GLY  A  530  .  ?        ?  
 478  1  1  A  531  SER  A  531  .  ?        ?  
 479  1  1  A  532  LEU  A  532  .  ?        1  
 480  1  1  A  533  ALA  A  533  .  ?        ?  
 481  1  1  A  534  ASP  A  534  .  ?        ?  
 482  1  1  A  535  ALA  A  535  .  ?        ?  
 483  1  1  A  536  TRP  A  536  .  ?        ?  
 484  1  1  A  537  ALA  A  537  .  ?        ?  
 485  1  1  A  538  HIS  A  538  .  ?        ?  
 486  1  1  A  539  GLN  A  539  .  ?        ?  
 487  1  1  A  540  GLU  A  540  .  ?        ?  
 488  1  1  A  541  GLY  A  541  .  ?        ?  
 489  1  1  A  542  THR  A  542  .  ?        ?  
 490  1  1  A  543  HIS  A  543  .  ?        ?  
 491  1  1  A  544  PRO  A  544  .  ?        ?  
 492  1  1  A  545  LYS  A  545  .  ?        ?  
 493  1  1  A  546  ASP  A  546  .  ?        ?  
 494  1  1  A  547  ARG  A  547  .  ?        ?  
 495  1  1  A  548  ASN  A  548  .  ?        ?  
 496  1  1  A  549  VAL  A  549  .  ?        ?  
 497  1  1  A  550  GLU  A  550  .  ?        ?  
 498  1  1  A  551  LYS  A  551  .  ?        ?  
 499  1  1  A  552  LEU  A  552  .  ?        ?  
 500  1  1  A  553  GLN  A  553  .  ?        ?  
 501  1  1  A  554  VAL  A  554  .  ?        ?  
 502  1  1  A  555  LEU  A  555  .  ?        ?  
 503  1  1  A  556  LEU  A  556  .  ?        ?  
 504  1  1  A  557  ASN  A  557  .  ?        ?  
 505  1  1  A  558  CYS  A  558  .  ?        ?  
 506  1  1  A  559  MET  A  559  .  ?        ?  
 507  1  1  A  560  THR  A  560  .  ?        ?  
 508  1  1  A  561  GLU  A  561  .  ?        ?  
 509  1  1  A  562  ILE  A  562  .  ?        ?  
 510  1  1  A  563  TYR  A  563  .  ?        ?  
 511  1  1  A  564  TYR  A  564  .  ?        ?  
 512  1  1  A  565  GLN  A  565  .  ?        ?  
 513  1  1  A  566  PHE  A  566  .  ?        ?  
 514  1  1  A  567  LYS  A  567  .  ?        ?  
 515  1  1  A  568  LYS  A  568  .  ?        ?  
 516  1  1  A  569  ASP  A  569  .  ?        ?  
 517  1  1  A  570  LYS  A  570  .  ?        ?  
 518  1  1  A  571  ALA  A  571  .  ?        ?  
 519  1  1  A  572  GLU  A  572  .  ?        ?  
 520  1  1  A  573  ARG  A  573  .  ?        ?  
 521  1  1  A  574  ARG  A  574  .  ?        ?  
 522  1  1  A  575  LEU  A  575  .  ?        ?  
 523  1  1  A  576  ALA  A  576  .  ?        ?  
 524  1  1  A  577  TYR  A  577  .  ?        ?  
 525  1  1  A  578  ASN  A  578  .  ?        ?  
 526  1  1  A  579  GLU  A  579  .  ?        ?  
 527  1  1  A  580  GLU  A  580  .  ?        ?  
 528  1  1  A  581  GLN  A  581  .  ?        ?  
 529  1  1  A  582  ILE  A  582  .  ?        ?  
 530  1  1  A  583  HIS  A  583  .  ?        ?  
 531  1  1  A  584  LYS  A  584  .  ?        ?  
 532  1  1  A  585  PHE  A  585  .  ?        ?  
 533  1  1  A  586  ASP  A  586  .  ?        ?  
 534  1  1  A  587  LYS  A  587  .  ?        ?  
 535  1  1  A  588  GLN  A  588  .  ?        ?  
 536  1  1  A  589  LYS  A  589  .  ?        ?  
 537  1  1  A  590  LEU  A  590  .  ?        ?  
 538  1  1  A  591  TYR  A  591  .  ?        ?  
 539  1  1  A  592  TYR  A  592  .  ?        ?  
 540  1  1  A  593  HIS  A  593  .  ?        ?  
 541  1  1  A  594  ALA  A  594  .  ?        ?  
 542  1  1  A  595  THR  A  595  .  ?        ?  
 543  1  1  A  596  LYS  A  596  .  ?        ?  
 544  1  1  A  597  ALA  A  597  .  ?        ?  
 545  1  1  A  598  MET  A  598  .  ?        ?  
 546  1  1  A  599  THR  A  599  .  ?        ?  
 547  1  1  A  600  HIS  A  600  .  ?        ?  
 548  1  1  A  601  PHE  A  601  .  ?        ?  
 549  1  1  A  602  THR  A  602  .  ?        ?  
 550  1  1  A  603  ASP  A  603  .  ?        ?  
 551  1  1  A  604  GLU  A  604  .  ?        ?  
 552  1  1  A  605  CYS  A  605  .  ?        ?  
 553  1  1  A  606  VAL  A  606  .  ?        ?  
 554  1  1  A  607  LYS  A  607  .  ?        ?  
 555  1  1  A  608  LYS  A  608  .  ?        ?  
 556  1  1  A  609  TYR  A  609  .  ?        ?  
 557  1  1  A  610  GLU  A  610  .  ?        ?  
 558  1  1  A  611  ALA  A  611  .  ?        ?  
 559  1  1  A  612  PHE  A  612  .  ?        ?  
 560  1  1  A  613  LEU  A  613  .  ?        ?  
 561  1  1  A  614  ASN  A  614  .  ?        ?  
 562  1  1  A  615  LYS  A  615  .  ?        ?  
 563  1  1  A  616  SER  A  616  .  ?        ?  
 564  1  1  A  617  GLU  A  617  .  ?        ?  
 565  1  1  A  618  GLU  A  618  .  ?        ?  
 566  1  1  A  619  TRP  A  619  .  ?        ?  
 567  1  1  A  620  ILE  A  620  .  ?        ?  
 568  1  1  A  621  ARG  A  621  .  ?        ?  
 569  1  1  A  622  LYS  A  622  .  ?        ?  
 570  1  1  A  623  MET  A  623  .  ?        ?  
 571  1  1  A  624  LEU  A  624  .  ?        ?  
 572  1  1  A  625  HIS  A  625  .  ?        ?  
 573  1  1  A  626  LEU  A  626  .  ?        1  
 574  1  1  A  627  ARG  A  627  .  ?        1  
 575  1  1  A  628  LYS  A  628  .  ?        ?  
 576  1  1  A  629  GLN  A  629  .  ?        ?  
 577  1  1  A  630  LEU  A  630  .  ?        ?  
 578  1  1  A  631  LEU  A  631  .  ?        ?  
 579  1  1  A  632  SER  A  632  .  ?        ?  
 580  1  1  A  633  LEU  A  633  .  ?        ?  
 581  1  1  A  634  THR  A  634  .  ?        ?  
 582  1  1  A  635  ASN  A  635  .  ?        ?  
 583  1  1  A  636  GLN  A  636  .  ?        ?  
 584  1  1  A  637  CYS  A  637  .  ?        ?  
 585  1  1  A  638  PHE  A  638  .  ?        ?  
 586  1  1  A  639  ASP  A  639  .  ?        ?  
 587  1  1  A  640  ILE  A  640  .  ?        ?  
 588  1  1  A  641  GLU  A  641  .  ?        ?  
 589  1  1  A  642  GLU  A  642  .  ?        ?  
 590  1  1  A  643  GLU  A  643  .  ?        ?  
 591  1  1  A  644  VAL  A  644  .  ?        ?  
 592  1  1  A  645  SER  A  645  .  ?        ?  
 593  1  1  A  646  LYS  A  646  .  ?        ?  
 594  1  1  A  647  TYR  A  647  .  ?        ?  
 595  1  1  A  648  GLN  A  648  .  ?        ?  
 596  1  1  A  649  GLU  A  649  .  ?        ?  
 597  1  1  A  650  TYR  A  650  .  ?        ?  
 598  1  1  A  651  THR  A  651  .  ?        1  
 599  1  1  A  652  ASN  A  652  .  ?        ?  
 600  1  1  A  653  GLU  A  653  .  ?        ?  
 601  1  1  A  654  LEU  A  654  .  ?        1  
 602  1  1  A  655  GLN  A  655  .  ?        ?  
 603  1  1  A  656  GLU  A  656  .  ?        ?  
 604  1  1  A  657  THR  A  657  .  ?        1  
 605  1  1  A  658  LEU  A  658  .  ?        1  
 606  1  2  B  369  ASP  C  369  .  ?        ?  
 607  1  2  B  370  LEU  C  370  .  ?        ?  
 608  1  2  B  371  PRO  C  371  .  ?        ?  
 609  1  2  B  372  GLN  C  372  .  ?        ?  
 610  1  2  B  373  PRO  C  373  .  ?        ?  
 611  1  2  B  374  LEU  C  374  .  ?        ?  
 612  1  2  B  375  ARG  C  375  .  ?        ?  
 613  1  2  B  376  SER  C  376  .  ?        ?  
 614  1  2  B  377  ASP  C  377  .  ?        ?  
 615  1  1  C    1  MET  B    1  .  ?        1  
 616  1  1  C    2  GLN  B    2  .  ?        ?  
 617  1  1  C    3  SER  B    3  .  ?        ?  
 618  1  1  C    4  THR  B    4  .  ?        ?  
 619  1  1  C    5  SER  B    5  .  ?        ?  
 620  1  1  C    6  ASN  B    6  .  ?        ?  
 621  1  1  C    7  HIS  B    7  .  ?        ?  
 622  1  1  C    8  LEU  B    8  .  ?        ?  
 623  1  1  C    9  TRP  B    9  .  ?        ?  
 624  1  1  C   10  LEU  B   10  .  ?        1  
 625  1  1  C   11  LEU  B   11  .  ?        ?  
 626  1  1  C   12  SER  B   12  .  ?        ?  
 627  1  1  C   13  ASP  B   13  .  ?        ?  
 628  1  1  C   14  ILE  B   14  .  ?        ?  
 629  1  1  C   15  LEU  B   15  .  ?        ?  
 630  1  1  C   16  GLY  B   16  .  ?        ?  
 631  1  1  C   17  GLN  B   17  .  ?        ?  
 632  1  1  C   18  GLY  B   18  .  ?        ?  
 633  1  1  C   19  ALA  B   19  .  ?        ?  
 634  1  1  C   20  THR  B   20  .  ?        ?  
 635  1  1  C   21  ALA  B   21  .  ?        ?  
 636  1  1  C   22  ASN  B   22  .  ?        ?  
 637  1  1  C   23  VAL  B   23  .  ?        ?  
 638  1  1  C   24  PHE  B   24  .  ?        ?  
 639  1  1  C   25  ARG  B   25  .  ?        ?  
 640  1  1  C   26  GLY  B   26  .  ?        ?  
 641  1  1  C   27  ARG  B   27  .  ?        ?  
 642  1  1  C   28  HIS  B   28  .  ?        ?  
 643  1  1  C   29  LYS  B   29  .  ?        ?  
 644  1  1  C   30  LYS  B   30  .  ?        ?  
 645  1  1  C   31  THR  B   31  .  ?        ?  
 646  1  1  C   32  GLY  B   32  .  ?        ?  
 647  1  1  C   33  ASP  B   33  .  ?        ?  
 648  1  1  C   34  LEU  B   34  .  ?        ?  
 649  1  1  C   35  PHE  B   35  .  ?        ?  
 650  1  1  C   36  ALA  B   36  .  ?        ?  
 651  1  1  C   37  ILE  B   37  .  ?        ?  
 652  1  1  C   38  LYS  B   38  .  ?        ?  
 653  1  1  C   39  VAL  B   39  .  ?        1  
 654  1  1  C   40  PHE  B   40  .  ?        ?  
 655  1  1  C   41  ASN  B   41  .  ?        ?  
 656  1  1  C   42  ASN  B   42  .  ?        ?  
 657  1  1  C   49  VAL  B   49  .  ?        ?  
 658  1  1  C   50  ASP  B   50  .  ?        ?  
 659  1  1  C   51  VAL  B   51  .  ?        ?  
 660  1  1  C   52  GLN  B   52  .  ?        ?  
 661  1  1  C   53  MET  B   53  .  ?        ?  
 662  1  1  C   54  ARG  B   54  .  ?        ?  
 663  1  1  C   55  GLU  B   55  .  ?        ?  
 664  1  1  C   56  PHE  B   56  .  ?        ?  
 665  1  1  C   57  GLU  B   57  .  ?        ?  
 666  1  1  C   58  VAL  B   58  .  ?        ?  
 667  1  1  C   59  LEU  B   59  .  ?        ?  
 668  1  1  C   60  LYS  B   60  .  ?        ?  
 669  1  1  C   61  LYS  B   61  .  ?        ?  
 670  1  1  C   62  LEU  B   62  .  ?        ?  
 671  1  1  C   63  ASN  B   63  .  ?        ?  
 672  1  1  C   64  HIS  B   64  .  ?        ?  
 673  1  1  C   65  LYS  B   65  .  ?        ?  
 674  1  1  C   66  ASN  B   66  .  ?        ?  
 675  1  1  C   67  ILE  B   67  .  ?        ?  
 676  1  1  C   68  VAL  B   68  .  ?        ?  
 677  1  1  C   69  LYS  B   69  .  ?        ?  
 678  1  1  C   70  LEU  B   70  .  ?        ?  
 679  1  1  C   71  PHE  B   71  .  ?        ?  
 680  1  1  C   72  ALA  B   72  .  ?        ?  
 681  1  1  C   73  ILE  B   73  .  ?        ?  
 682  1  1  C   74  GLU  B   74  .  ?        ?  
 683  1  1  C   75  GLU  B   75  .  ?        ?  
 684  1  1  C   76  GLU  B   76  .  ?        ?  
 685  1  1  C   77  THR  B   77  .  ?        ?  
 686  1  1  C   78  THR  B   78  .  ?        ?  
 687  1  1  C   79  THR  B   79  .  ?        ?  
 688  1  1  C   80  ARG  B   80  .  ?        ?  
 689  1  1  C   81  HIS  B   81  .  ?        ?  
 690  1  1  C   82  LYS  B   82  .  ?        ?  
 691  1  1  C   83  VAL  B   83  .  ?        1  
 692  1  1  C   84  LEU  B   84  .  ?        ?  
 693  1  1  C   85  ILE  B   85  .  ?        ?  
 694  1  1  C   86  MET  B   86  .  ?        ?  
 695  1  1  C   87  GLU  B   87  .  ?        ?  
 696  1  1  C   88  PHE  B   88  .  ?        ?  
 697  1  1  C   89  CYS  B   89  .  ?        ?  
 698  1  1  C   90  PRO  B   90  .  ?        ?  
 699  1  1  C   91  CYS  B   91  .  ?        ?  
 700  1  1  C   92  GLY  B   92  .  ?        ?  
 701  1  1  C   93  SER  B   93  .  ?        ?  
 702  1  1  C   94  LEU  B   94  .  ?        ?  
 703  1  1  C   95  TYR  B   95  .  ?        ?  
 704  1  1  C   96  THR  B   96  .  ?        ?  
 705  1  1  C   97  VAL  B   97  .  ?        ?  
 706  1  1  C   98  LEU  B   98  .  ?        ?  
 707  1  1  C   99  GLU  B   99  .  ?        ?  
 708  1  1  C  100  GLU  B  100  .  ?        ?  
 709  1  1  C  101  PRO  B  101  .  ?        ?  
 710  1  1  C  102  SER  B  102  .  ?        ?  
 711  1  1  C  103  ASN  B  103  .  ?        ?  
 712  1  1  C  104  ALA  B  104  .  ?        ?  
 713  1  1  C  105  TYR  B  105  .  ?        ?  
 714  1  1  C  106  GLY  B  106  .  ?        ?  
 715  1  1  C  107  LEU  B  107  .  ?        ?  
 716  1  1  C  108  PRO  B  108  .  ?        ?  
 717  1  1  C  109  GLU  B  109  .  ?        ?  
 718  1  1  C  110  SER  B  110  .  ?        ?  
 719  1  1  C  111  GLU  B  111  .  ?        ?  
 720  1  1  C  112  PHE  B  112  .  ?        ?  
 721  1  1  C  113  LEU  B  113  .  ?        ?  
 722  1  1  C  114  ILE  B  114  .  ?        ?  
 723  1  1  C  115  VAL  B  115  .  ?        ?  
 724  1  1  C  116  LEU  B  116  .  ?        ?  
 725  1  1  C  117  ARG  B  117  .  ?        ?  
 726  1  1  C  118  ASP  B  118  .  ?        ?  
 727  1  1  C  119  VAL  B  119  .  ?        ?  
 728  1  1  C  120  VAL  B  120  .  ?        ?  
 729  1  1  C  121  GLY  B  121  .  ?        ?  
 730  1  1  C  122  GLY  B  122  .  ?        ?  
 731  1  1  C  123  MET  B  123  .  ?        ?  
 732  1  1  C  124  ASN  B  124  .  ?        ?  
 733  1  1  C  125  HIS  B  125  .  ?        ?  
 734  1  1  C  126  LEU  B  126  .  ?        ?  
 735  1  1  C  127  ARG  B  127  .  ?        ?  
 736  1  1  C  128  GLU  B  128  .  ?        ?  
 737  1  1  C  129  ASN  B  129  .  ?        ?  
 738  1  1  C  130  GLY  B  130  .  ?        ?  
 739  1  1  C  131  ILE  B  131  .  ?        ?  
 740  1  1  C  132  VAL  B  132  .  ?        ?  
 741  1  1  C  133  HIS  B  133  .  ?        1  
 742  1  1  C  134  ARG  B  134  .  ?        1  
 743  1  1  C  135  ASN  B  135  .  ?        ?  
 744  1  1  C  136  ILE  B  136  .  ?        ?  
 745  1  1  C  137  LYS  B  137  .  ?        ?  
 746  1  1  C  138  PRO  B  138  .  ?        ?  
 747  1  1  C  139  GLY  B  139  .  ?        ?  
 748  1  1  C  140  ASN  B  140  .  ?        ?  
 749  1  1  C  141  ILE  B  141  .  ?        ?  
 750  1  1  C  142  MET  B  142  .  ?        ?  
 751  1  1  C  143  ARG  B  143  .  ?        ?  
 752  1  1  C  144  VAL  B  144  .  ?        ?  
 753  1  1  C  145  ILE  B  145  .  ?        ?  
 754  1  1  C  146  GLY  B  146  .  ?        ?  
 755  1  1  C  147  GLU  B  147  .  ?        ?  
 756  1  1  C  148  ASP  B  148  .  ?        ?  
 757  1  1  C  149  GLY  B  149  .  ?        ?  
 758  1  1  C  150  GLN  B  150  .  ?        ?  
 759  1  1  C  151  SER  B  151  .  ?        ?  
 760  1  1  C  152  VAL  B  152  .  ?        ?  
 761  1  1  C  153  TYR  B  153  .  ?        ?  
 762  1  1  C  154  LYS  B  154  .  ?        ?  
 763  1  1  C  155  LEU  B  155  .  ?        ?  
 764  1  1  C  156  THR  B  156  .  ?        ?  
 765  1  1  C  157  ASP  B  157  .  ?        ?  
 766  1  1  C  158  PHE  B  158  .  ?        1  
 767  1  1  C  159  GLY  B  159  .  ?        1  
 768  1  1  C  175  GLY  B  175  .  ?        ?  
 769  1  1  C  176  THR  B  176  .  ?        ?  
 770  1  1  C  177  GLU  B  177  .  ?        ?  
 771  1  1  C  178  GLU  B  178  .  ?        ?  
 772  1  1  C  179  TYR  B  179  .  ?        ?  
 773  1  1  C  180  LEU  B  180  .  ?        ?  
 774  1  1  C  181  HIS  B  181  .  ?        ?  
 775  1  1  C  182  PRO  B  182  .  ?        ?  
 776  1  1  C  183  ASP  B  183  .  ?        ?  
 777  1  1  C  200  ALA  B  200  .  ?        ?  
 778  1  1  C  201  THR  B  201  .  ?        ?  
 779  1  1  C  202  VAL  B  202  .  ?        ?  
 780  1  1  C  203  ASP  B  203  .  ?        ?  
 781  1  1  C  204  LEU  B  204  .  ?        ?  
 782  1  1  C  205  TRP  B  205  .  ?        ?  
 783  1  1  C  206  SER  B  206  .  ?        ?  
 784  1  1  C  207  ILE  B  207  .  ?        ?  
 785  1  1  C  208  GLY  B  208  .  ?        ?  
 786  1  1  C  209  VAL  B  209  .  ?        ?  
 787  1  1  C  210  THR  B  210  .  ?        ?  
 788  1  1  C  211  PHE  B  211  .  ?        ?  
 789  1  1  C  212  TYR  B  212  .  ?        ?  
 790  1  1  C  213  HIS  B  213  .  ?        ?  
 791  1  1  C  214  ALA  B  214  .  ?        ?  
 792  1  1  C  215  ALA  B  215  .  ?        ?  
 793  1  1  C  216  THR  B  216  .  ?        ?  
 794  1  1  C  217  GLY  B  217  .  ?        ?  
 795  1  1  C  218  SER  B  218  .  ?        ?  
 796  1  1  C  219  LEU  B  219  .  ?        ?  
 797  1  1  C  220  PRO  B  220  .  ?        ?  
 798  1  1  C  221  PHE  B  221  .  ?        ?  
 799  1  1  C  222  ARG  B  222  .  ?        ?  
 800  1  1  C  223  PRO  B  223  .  ?        ?  
 801  1  1  C  224  PHE  B  224  .  ?        ?  
 802  1  1  C  225  GLU  B  225  .  ?        ?  
 803  1  1  C  231  LYS  B  231  .  ?        ?  
 804  1  1  C  232  GLU  B  232  .  ?        ?  
 805  1  1  C  233  VAL  B  233  .  ?        ?  
 806  1  1  C  234  MET  B  234  .  ?        ?  
 807  1  1  C  235  TYR  B  235  .  ?        ?  
 808  1  1  C  236  LYS  B  236  .  ?        ?  
 809  1  1  C  237  ILE  B  237  .  ?        ?  
 810  1  1  C  238  ILE  B  238  .  ?        ?  
 811  1  1  C  239  THR  B  239  .  ?        ?  
 812  1  1  C  240  GLY  B  240  .  ?        ?  
 813  1  1  C  241  LYS  B  241  .  ?        ?  
 814  1  1  C  242  PRO  B  242  .  ?        ?  
 815  1  1  C  243  SER  B  243  .  ?        ?  
 816  1  1  C  244  GLY  B  244  .  ?        ?  
 817  1  1  C  245  ALA  B  245  .  ?        ?  
 818  1  1  C  246  ILE  B  246  .  ?        ?  
 819  1  1  C  247  SER  B  247  .  ?        ?  
 820  1  1  C  248  GLY  B  248  .  ?        ?  
 821  1  1  C  249  VAL  B  249  .  ?        ?  
 822  1  1  C  250  GLN  B  250  .  ?        ?  
 823  1  1  C  251  LYS  B  251  .  ?        ?  
 824  1  1  C  252  ALA  B  252  .  ?        ?  
 825  1  1  C  253  GLU  B  253  .  ?        ?  
 826  1  1  C  254  ASN  B  254  .  ?        ?  
 827  1  1  C  255  GLY  B  255  .  ?        ?  
 828  1  1  C  256  PRO  B  256  .  ?        ?  
 829  1  1  C  257  ILE  B  257  .  ?        ?  
 830  1  1  C  258  ASP  B  258  .  ?        ?  
 831  1  1  C  259  TRP  B  259  .  ?        ?  
 832  1  1  C  260  SER  B  260  .  ?        ?  
 833  1  1  C  261  GLY  B  261  .  ?        ?  
 834  1  1  C  262  ASP  B  262  .  ?        ?  
 835  1  1  C  263  MET  B  263  .  ?        ?  
 836  1  1  C  264  PRO  B  264  .  ?        ?  
 837  1  1  C  265  VAL  B  265  .  ?        ?  
 838  1  1  C  266  SER  B  266  .  ?        ?  
 839  1  1  C  267  CYS  B  267  .  ?        ?  
 840  1  1  C  268  SER  B  268  .  ?        ?  
 841  1  1  C  269  LEU  B  269  .  ?        ?  
 842  1  1  C  270  SER  B  270  .  ?        ?  
 843  1  1  C  271  ARG  B  271  .  ?        ?  
 844  1  1  C  272  GLY  B  272  .  ?        ?  
 845  1  1  C  273  LEU  B  273  .  ?        ?  
 846  1  1  C  274  GLN  B  274  .  ?        ?  
 847  1  1  C  275  VAL  B  275  .  ?        ?  
 848  1  1  C  276  LEU  B  276  .  ?        ?  
 849  1  1  C  277  LEU  B  277  .  ?        ?  
 850  1  1  C  278  THR  B  278  .  ?        ?  
 851  1  1  C  279  PRO  B  279  .  ?        ?  
 852  1  1  C  280  VAL  B  280  .  ?        ?  
 853  1  1  C  281  LEU  B  281  .  ?        ?  
 854  1  1  C  282  ALA  B  282  .  ?        ?  
 855  1  1  C  283  ASN  B  283  .  ?        ?  
 856  1  1  C  284  ILE  B  284  .  ?        ?  
 857  1  1  C  285  LEU  B  285  .  ?        ?  
 858  1  1  C  286  GLU  B  286  .  ?        ?  
 859  1  1  C  287  ALA  B  287  .  ?        ?  
 860  1  1  C  288  ASP  B  288  .  ?        ?  
 861  1  1  C  289  GLN  B  289  .  ?        ?  
 862  1  1  C  290  GLU  B  290  .  ?        ?  
 863  1  1  C  291  LYS  B  291  .  ?        ?  
 864  1  1  C  292  CYS  B  292  .  ?        ?  
 865  1  1  C  293  TRP  B  293  .  ?        ?  
 866  1  1  C  294  GLY  B  294  .  ?        ?  
 867  1  1  C  295  PHE  B  295  .  ?        ?  
 868  1  1  C  296  ASP  B  296  .  ?        ?  
 869  1  1  C  297  GLN  B  297  .  ?        ?  
 870  1  1  C  298  PHE  B  298  .  ?        ?  
 871  1  1  C  299  PHE  B  299  .  ?        ?  
 872  1  1  C  300  ALA  B  300  .  ?        ?  
 873  1  1  C  301  GLU  B  301  .  ?        ?  
 874  1  1  C  302  THR  B  302  .  ?        ?  
 875  1  1  C  303  SER  B  303  .  ?        ?  
 876  1  1  C  304  ASP  B  304  .  ?        ?  
 877  1  1  C  305  ILE  B  305  .  ?        ?  
 878  1  1  C  306  LEU  B  306  .  ?        ?  
 879  1  1  C  307  HIS  B  307  .  ?        ?  
 880  1  1  C  308  ARG  B  308  .  ?        ?  
 881  1  1  C  309  MET  B  309  .  ?        ?  
 882  1  1  C  310  VAL  B  310  .  ?        ?  
 883  1  1  C  311  ILE  B  311  .  ?        ?  
 884  1  1  C  312  HIS  B  312  .  ?        ?  
 885  1  1  C  313  VAL  B  313  .  ?        ?  
 886  1  1  C  314  PHE  B  314  .  ?        ?  
 887  1  1  C  315  SER  B  315  .  ?        ?  
 888  1  1  C  316  LEU  B  316  .  ?        ?  
 889  1  1  C  317  GLN  B  317  .  ?        ?  
 890  1  1  C  318  GLN  B  318  .  ?        ?  
 891  1  1  C  319  MET  B  319  .  ?        ?  
 892  1  1  C  320  THR  B  320  .  ?        ?  
 893  1  1  C  321  ALA  B  321  .  ?        ?  
 894  1  1  C  322  HIS  B  322  .  ?        ?  
 895  1  1  C  323  LYS  B  323  .  ?        ?  
 896  1  1  C  324  ILE  B  324  .  ?        ?  
 897  1  1  C  325  TYR  B  325  .  ?        ?  
 898  1  1  C  326  ILE  B  326  .  ?        ?  
 899  1  1  C  327  HIS  B  327  .  ?        ?  
 900  1  1  C  328  SER  B  328  .  ?        ?  
 901  1  1  C  329  TYR  B  329  .  ?        ?  
 902  1  1  C  330  ASN  B  330  .  ?        ?  
 903  1  1  C  331  THR  B  331  .  ?        ?  
 904  1  1  C  332  ALA  B  332  .  ?        ?  
 905  1  1  C  333  THR  B  333  .  ?        ?  
 906  1  1  C  334  ILE  B  334  .  ?        ?  
 907  1  1  C  335  PHE  B  335  .  ?        ?  
 908  1  1  C  336  HIS  B  336  .  ?        ?  
 909  1  1  C  337  GLU  B  337  .  ?        ?  
 910  1  1  C  338  LEU  B  338  .  ?        ?  
 911  1  1  C  339  VAL  B  339  .  ?        ?  
 912  1  1  C  340  TYR  B  340  .  ?        ?  
 913  1  1  C  341  LYS  B  341  .  ?        ?  
 914  1  1  C  342  GLN  B  342  .  ?        ?  
 915  1  1  C  343  THR  B  343  .  ?        ?  
 916  1  1  C  344  LYS  B  344  .  ?        ?  
 917  1  1  C  345  ILE  B  345  .  ?        ?  
 918  1  1  C  346  ILE  B  346  .  ?        ?  
 919  1  1  C  347  SER  B  347  .  ?        ?  
 920  1  1  C  348  SER  B  348  .  ?        ?  
 921  1  1  C  349  ASN  B  349  .  ?        ?  
 922  1  1  C  350  GLN  B  350  .  ?        ?  
 923  1  1  C  351  GLU  B  351  .  ?        1  
 924  1  1  C  352  LEU  B  352  .  ?        ?  
 925  1  1  C  353  ILE  B  353  .  ?        ?  
 926  1  1  C  354  TYR  B  354  .  ?        ?  
 927  1  1  C  355  GLU  B  355  .  ?        ?  
 928  1  1  C  356  GLY  B  356  .  ?        ?  
 929  1  1  C  357  ARG  B  357  .  ?        1  
 930  1  1  C  358  ARG  B  358  .  ?        ?  
 931  1  1  C  359  LEU  B  359  .  ?        ?  
 932  1  1  C  360  VAL  B  360  .  ?        ?  
 933  1  1  C  361  LEU  B  361  .  ?        ?  
 934  1  1  C  362  GLU  B  362  .  ?        ?  
 935  1  1  C  363  PRO  B  363  .  ?        ?  
 936  1  1  C  364  GLY  B  364  .  ?        ?  
 937  1  1  C  365  ARG  B  365  .  ?        ?  
 938  1  1  C  366  LEU  B  366  .  ?        ?  
 939  1  1  C  367  ALA  B  367  .  ?        ?  
 940  1  1  C  368  GLN  B  368  .  ?        ?  
 941  1  1  C  369  HIS  B  369  .  ?        ?  
 942  1  1  C  370  PHE  B  370  .  ?        ?  
 943  1  1  C  371  PRO  B  371  .  ?        ?  
 944  1  1  C  372  LYS  B  372  .  ?        ?  
 945  1  1  C  373  THR  B  373  .  ?        ?  
 946  1  1  C  374  THR  B  374  .  ?        ?  
 947  1  1  C  375  GLU  B  375  .  ?        ?  
 948  1  1  C  376  GLU  B  376  .  ?        ?  
 949  1  1  C  377  ASN  B  377  .  ?        ?  
 950  1  1  C  378  PRO  B  378  .  ?        ?  
 951  1  1  C  379  ILE  B  379  .  ?        ?  
 952  1  1  C  380  PHE  B  380  .  ?        ?  
 953  1  1  C  381  VAL  B  381  .  ?        ?  
 954  1  1  C  382  VAL  B  382  .  ?        ?  
 955  1  1  C  383  SER  B  383  .  ?        1  
 956  1  1  C  384  ARG  B  384  .  ?        1  
 957  1  1  C  385  GLU  B  385  .  ?        ?  
 958  1  1  C  386  PRO  B  386  .  ?        ?  
 959  1  1  C  387  LEU  B  387  .  ?        ?  
 960  1  1  C  388  ASN  B  388  .  ?        ?  
 961  1  1  C  389  THR  B  389  .  ?        ?  
 962  1  1  C  390  ILE  B  390  .  ?        ?  
 963  1  1  C  391  GLY  B  391  .  ?        ?  
 964  1  1  C  392  LEU  B  392  .  ?        ?  
 965  1  1  C  393  ILE  B  393  .  ?        ?  
 966  1  1  C  394  TYR  B  394  .  ?        ?  
 967  1  1  C  395  GLU  B  395  .  ?        ?  
 968  1  1  C  396  LYS  B  396  .  ?        ?  
 969  1  1  C  397  ILE  B  397  .  ?        ?  
 970  1  1  C  398  SER  B  398  .  ?        ?  
 971  1  1  C  399  LEU  B  399  .  ?        ?  
 972  1  1  C  400  PRO  B  400  .  ?        ?  
 973  1  1  C  401  LYS  B  401  .  ?        ?  
 974  1  1  C  402  VAL  B  402  .  ?        ?  
 975  1  1  C  403  HIS  B  403  .  ?        ?  
 976  1  1  C  404  PRO  B  404  .  ?        ?  
 977  1  1  C  405  ARG  B  405  .  ?        ?  
 978  1  1  C  406  TYR  B  406  .  ?        ?  
 979  1  1  C  407  ASP  B  407  .  ?        ?  
 980  1  1  C  408  LEU  B  408  .  ?        ?  
 981  1  1  C  409  ASP  B  409  .  ?        ?  
 982  1  1  C  410  GLY  B  410  .  ?        ?  
 983  1  1  C  411  ASP  B  411  .  ?        ?  
 984  1  1  C  412  ALA  B  412  .  ?        ?  
 985  1  1  C  413  SER  B  413  .  ?        ?  
 986  1  1  C  414  MET  B  414  .  ?        ?  
 987  1  1  C  415  ALA  B  415  .  ?        ?  
 988  1  1  C  416  LYS  B  416  .  ?        ?  
 989  1  1  C  417  ALA  B  417  .  ?        ?  
 990  1  1  C  418  ILE  B  418  .  ?        ?  
 991  1  1  C  419  THR  B  419  .  ?        ?  
 992  1  1  C  420  GLY  B  420  .  ?        ?  
 993  1  1  C  421  VAL  B  421  .  ?        ?  
 994  1  1  C  422  VAL  B  422  .  ?        ?  
 995  1  1  C  423  CYS  B  423  .  ?        ?  
 996  1  1  C  424  TYR  B  424  .  ?        ?  
 997  1  1  C  425  ALA  B  425  .  ?        ?  
 998  1  1  C  426  CYS  B  426  .  ?        ?  
 999  1  1  C  427  ARG  B  427  .  ?        ?  
1000  1  1  C  428  ILE  B  428  .  ?        ?  
1001  1  1  C  429  ALA  B  429  .  ?        ?  
1002  1  1  C  430  SER  B  430  .  ?        ?  
1003  1  1  C  431  THR  B  431  .  ?        ?  
1004  1  1  C  432  LEU  B  432  .  ?        ?  
1005  1  1  C  433  LEU  B  433  .  ?        ?  
1006  1  1  C  434  LEU  B  434  .  ?        ?  
1007  1  1  C  435  TYR  B  435  .  ?        ?  
1008  1  1  C  436  GLN  B  436  .  ?        ?  
1009  1  1  C  437  GLU  B  437  .  ?        ?  
1010  1  1  C  438  LEU  B  438  .  ?        ?  
1011  1  1  C  439  MET  B  439  .  ?        ?  
1012  1  1  C  440  ARG  B  440  .  ?        ?  
1013  1  1  C  441  LYS  B  441  .  ?        ?  
1014  1  1  C  442  GLY  B  442  .  ?        ?  
1015  1  1  C  443  ILE  B  443  .  ?        ?  
1016  1  1  C  444  ARG  B  444  .  ?        ?  
1017  1  1  C  445  TRP  B  445  .  ?        ?  
1018  1  1  C  446  LEU  B  446  .  ?        ?  
1019  1  1  C  447  ILE  B  447  .  ?        ?  
1020  1  1  C  448  GLU  B  448  .  ?        ?  
1021  1  1  C  449  LEU  B  449  .  ?        ?  
1022  1  1  C  450  ILE  B  450  .  ?        ?  
1023  1  1  C  451  LYS  B  451  .  ?        ?  
1024  1  1  C  452  ASP  B  452  .  ?        1  
1025  1  1  C  453  ASP  B  453  .  ?        ?  
1026  1  1  C  454  TYR  B  454  .  ?        ?  
1027  1  1  C  455  ASN  B  455  .  ?        ?  
1028  1  1  C  456  GLU  B  456  .  ?        ?  
1029  1  1  C  457  THR  B  457  .  ?        ?  
1030  1  1  C  458  VAL  B  458  .  ?        ?  
1031  1  1  C  459  HIS  B  459  .  ?        ?  
1032  1  1  C  460  LYS  B  460  .  ?        ?  
1033  1  1  C  461  LYS  B  461  .  ?        ?  
1034  1  1  C  462  THR  B  462  .  ?        ?  
1035  1  1  C  463  GLU  B  463  .  ?        ?  
1036  1  1  C  464  VAL  B  464  .  ?        ?  
1037  1  1  C  465  VAL  B  465  .  ?        ?  
1038  1  1  C  466  ILE  B  466  .  ?        ?  
1039  1  1  C  467  THR  B  467  .  ?        ?  
1040  1  1  C  468  LEU  B  468  .  ?        ?  
1041  1  1  C  469  ASP  B  469  .  ?        ?  
1042  1  1  C  470  PHE  B  470  .  ?        ?  
1043  1  1  C  471  CYS  B  471  .  ?        ?  
1044  1  1  C  472  ILE  B  472  .  ?        ?  
1045  1  1  C  473  ARG  B  473  .  ?        ?  
1046  1  1  C  474  ASN  B  474  .  ?        ?  
1047  1  1  C  475  ILE  B  475  .  ?        2  
1048  1  1  C  476  GLU  B  476  .  ?        ?  
1049  1  1  C  477  LYS  B  477  .  ?        ?  
1050  1  1  C  478  THR  B  478  .  ?        ?  
1051  1  1  C  479  VAL  B  479  .  ?        ?  
1052  1  1  C  480  LYS  B  480  .  ?        ?  
1053  1  1  C  481  VAL  B  481  .  ?        ?  
1054  1  1  C  482  TYR  B  482  .  ?        ?  
1055  1  1  C  483  GLU  B  483  .  ?        ?  
1056  1  1  C  484  LYS  B  484  .  ?        ?  
1057  1  1  C  496  GLY  B  496  .  ?        ?  
1058  1  1  C  497  GLU  B  497  .  ?        ?  
1059  1  1  C  498  ILE  B  498  .  ?        ?  
1060  1  1  C  499  SER  B  499  .  ?        ?  
1061  1  1  C  500  ASP  B  500  .  ?        ?  
1062  1  1  C  501  ILE  B  501  .  ?        ?  
1063  1  1  C  502  HIS  B  502  .  ?        ?  
1064  1  1  C  503  THR  B  503  .  ?        ?  
1065  1  1  C  504  LYS  B  504  .  ?        ?  
1066  1  1  C  505  LEU  B  505  .  ?        ?  
1067  1  1  C  506  LEU  B  506  .  ?        ?  
1068  1  1  C  507  ARG  B  507  .  ?        ?  
1069  1  1  C  508  LEU  B  508  .  ?        ?  
1070  1  1  C  509  SER  B  509  .  ?        ?  
1071  1  1  C  510  SER  B  510  .  ?        ?  
1072  1  1  C  511  SER  B  511  .  ?        1  
1073  1  1  C  512  GLN  B  512  .  ?        ?  
1074  1  1  C  513  GLY  B  513  .  ?        ?  
1075  1  1  C  514  THR  B  514  .  ?        ?  
1076  1  1  C  515  ILE  B  515  .  ?        1  
1077  1  1  C  516  GLU  B  516  .  ?        ?  
1078  1  1  C  517  THR  B  517  .  ?        ?  
1079  1  1  C  518  SER  B  518  .  ?        ?  
1080  1  1  C  519  LEU  B  519  .  ?        ?  
1081  1  1  C  520  GLN  B  520  .  ?        ?  
1082  1  1  C  521  ASP  B  521  .  ?        ?  
1083  1  1  C  522  ILE  B  522  .  ?        ?  
1084  1  1  C  523  ASP  B  523  .  ?        ?  
1085  1  1  C  524  SER  B  524  .  ?        ?  
1086  1  1  C  525  ARG  B  525  .  ?        ?  
1087  1  1  C  526  LEU  B  526  .  ?        ?  
1088  1  1  C  527  SER  B  527  .  ?        ?  
1089  1  1  C  528  PRO  B  528  .  ?        ?  
1090  1  1  C  529  GLY  B  529  .  ?        ?  
1091  1  1  C  530  GLY  B  530  .  ?        ?  
1092  1  1  C  531  SER  B  531  .  ?        ?  
1093  1  1  C  532  LEU  B  532  .  ?        1  
1094  1  1  C  533  ALA  B  533  .  ?        ?  
1095  1  1  C  534  ASP  B  534  .  ?        ?  
1096  1  1  C  535  ALA  B  535  .  ?        ?  
1097  1  1  C  536  TRP  B  536  .  ?        ?  
1098  1  1  C  537  ALA  B  537  .  ?        ?  
1099  1  1  C  538  HIS  B  538  .  ?        ?  
1100  1  1  C  539  GLN  B  539  .  ?        ?  
1101  1  1  C  540  GLU  B  540  .  ?        ?  
1102  1  1  C  541  GLY  B  541  .  ?        ?  
1103  1  1  C  542  THR  B  542  .  ?        ?  
1104  1  1  C  543  HIS  B  543  .  ?        ?  
1105  1  1  C  544  PRO  B  544  .  ?        ?  
1106  1  1  C  545  LYS  B  545  .  ?        ?  
1107  1  1  C  546  ASP  B  546  .  ?        ?  
1108  1  1  C  547  ARG  B  547  .  ?        ?  
1109  1  1  C  548  ASN  B  548  .  ?        ?  
1110  1  1  C  549  VAL  B  549  .  ?        ?  
1111  1  1  C  550  GLU  B  550  .  ?        ?  
1112  1  1  C  551  LYS  B  551  .  ?        ?  
1113  1  1  C  552  LEU  B  552  .  ?        ?  
1114  1  1  C  553  GLN  B  553  .  ?        ?  
1115  1  1  C  554  VAL  B  554  .  ?        ?  
1116  1  1  C  555  LEU  B  555  .  ?        ?  
1117  1  1  C  556  LEU  B  556  .  ?        ?  
1118  1  1  C  557  ASN  B  557  .  ?        ?  
1119  1  1  C  558  CYS  B  558  .  ?        ?  
1120  1  1  C  559  MET  B  559  .  ?        ?  
1121  1  1  C  560  THR  B  560  .  ?        ?  
1122  1  1  C  561  GLU  B  561  .  ?        ?  
1123  1  1  C  562  ILE  B  562  .  ?        ?  
1124  1  1  C  563  TYR  B  563  .  ?        ?  
1125  1  1  C  564  TYR  B  564  .  ?        ?  
1126  1  1  C  565  GLN  B  565  .  ?        ?  
1127  1  1  C  566  PHE  B  566  .  ?        ?  
1128  1  1  C  567  LYS  B  567  .  ?        ?  
1129  1  1  C  568  LYS  B  568  .  ?        ?  
1130  1  1  C  569  ASP  B  569  .  ?        ?  
1131  1  1  C  570  LYS  B  570  .  ?        ?  
1132  1  1  C  571  ALA  B  571  .  ?        ?  
1133  1  1  C  572  GLU  B  572  .  ?        ?  
1134  1  1  C  573  ARG  B  573  .  ?        ?  
1135  1  1  C  574  ARG  B  574  .  ?        ?  
1136  1  1  C  575  LEU  B  575  .  ?        ?  
1137  1  1  C  576  ALA  B  576  .  ?        ?  
1138  1  1  C  577  TYR  B  577  .  ?        ?  
1139  1  1  C  578  ASN  B  578  .  ?        ?  
1140  1  1  C  579  GLU  B  579  .  ?        ?  
1141  1  1  C  580  GLU  B  580  .  ?        ?  
1142  1  1  C  581  GLN  B  581  .  ?        2  
1143  1  1  C  582  ILE  B  582  .  ?        ?  
1144  1  1  C  583  HIS  B  583  .  ?        ?  
1145  1  1  C  584  LYS  B  584  .  ?        ?  
1146  1  1  C  585  PHE  B  585  .  ?        ?  
1147  1  1  C  586  ASP  B  586  .  ?        ?  
1148  1  1  C  587  LYS  B  587  .  ?        ?  
1149  1  1  C  588  GLN  B  588  .  ?        ?  
1150  1  1  C  589  LYS  B  589  .  ?        ?  
1151  1  1  C  590  LEU  B  590  .  ?        ?  
1152  1  1  C  591  TYR  B  591  .  ?        ?  
1153  1  1  C  592  TYR  B  592  .  ?        ?  
1154  1  1  C  593  HIS  B  593  .  ?        ?  
1155  1  1  C  594  ALA  B  594  .  ?        ?  
1156  1  1  C  595  THR  B  595  .  ?        ?  
1157  1  1  C  596  LYS  B  596  .  ?        ?  
1158  1  1  C  597  ALA  B  597  .  ?        ?  
1159  1  1  C  598  MET  B  598  .  ?        ?  
1160  1  1  C  599  THR  B  599  .  ?        ?  
1161  1  1  C  600  HIS  B  600  .  ?        ?  
1162  1  1  C  601  PHE  B  601  .  ?        ?  
1163  1  1  C  602  THR  B  602  .  ?        ?  
1164  1  1  C  603  ASP  B  603  .  ?        ?  
1165  1  1  C  604  GLU  B  604  .  ?        ?  
1166  1  1  C  605  CYS  B  605  .  ?        ?  
1167  1  1  C  606  VAL  B  606  .  ?        ?  
1168  1  1  C  607  LYS  B  607  .  ?        ?  
1169  1  1  C  608  LYS  B  608  .  ?        ?  
1170  1  1  C  609  TYR  B  609  .  ?        ?  
1171  1  1  C  610  GLU  B  610  .  ?        ?  
1172  1  1  C  611  ALA  B  611  .  ?        ?  
1173  1  1  C  612  PHE  B  612  .  ?        ?  
1174  1  1  C  613  LEU  B  613  .  ?        ?  
1175  1  1  C  614  ASN  B  614  .  ?        ?  
1176  1  1  C  615  LYS  B  615  .  ?        ?  
1177  1  1  C  616  SER  B  616  .  ?        ?  
1178  1  1  C  617  GLU  B  617  .  ?        ?  
1179  1  1  C  618  GLU  B  618  .  ?        ?  
1180  1  1  C  619  TRP  B  619  .  ?        ?  
1181  1  1  C  620  ILE  B  620  .  ?        ?  
1182  1  1  C  621  ARG  B  621  .  ?        ?  
1183  1  1  C  622  LYS  B  622  .  ?        ?  
1184  1  1  C  623  MET  B  623  .  ?        ?  
1185  1  1  C  624  LEU  B  624  .  ?        ?  
1186  1  1  C  625  HIS  B  625  .  ?        ?  
1187  1  1  C  626  LEU  B  626  .  ?        1  
1188  1  1  C  627  ARG  B  627  .  ?        1  
1189  1  1  C  628  LYS  B  628  .  ?        ?  
1190  1  1  C  629  GLN  B  629  .  ?        ?  
1191  1  1  C  630  LEU  B  630  .  ?        ?  
1192  1  1  C  631  LEU  B  631  .  ?        ?  
1193  1  1  C  632  SER  B  632  .  ?        ?  
1194  1  1  C  633  LEU  B  633  .  ?        ?  
1195  1  1  C  634  THR  B  634  .  ?        ?  
1196  1  1  C  635  ASN  B  635  .  ?        ?  
1197  1  1  C  636  GLN  B  636  .  ?        ?  
1198  1  1  C  637  CYS  B  637  .  ?        ?  
1199  1  1  C  638  PHE  B  638  .  ?        ?  
1200  1  1  C  639  ASP  B  639  .  ?        ?  
1201  1  1  C  640  ILE  B  640  .  ?        ?  
1202  1  1  C  641  GLU  B  641  .  ?        ?  
1203  1  1  C  642  GLU  B  642  .  ?        ?  
1204  1  1  C  643  GLU  B  643  .  ?        ?  
1205  1  1  C  644  VAL  B  644  .  ?        ?  
1206  1  1  C  645  SER  B  645  .  ?        ?  
1207  1  1  C  646  LYS  B  646  .  ?        ?  
1208  1  1  C  647  TYR  B  647  .  ?        ?  
1209  1  1  C  648  GLN  B  648  .  ?        ?  
1210  1  1  C  649  GLU  B  649  .  ?        ?  
1211  1  1  C  650  TYR  B  650  .  ?        ?  
1212  1  1  C  651  THR  B  651  .  ?        1  
1213  1  1  C  652  ASN  B  652  .  ?        ?  
1214  1  1  C  653  GLU  B  653  .  ?        ?  
1215  1  1  C  654  LEU  B  654  .  ?        1  
1216  1  1  C  655  GLN  B  655  .  ?        ?  
1217  1  1  C  656  GLU  B  656  .  ?        ?  
1218  1  1  C  657  THR  B  657  .  ?        1  
1219  1  1  C  658  LEU  B  658  .  ?        1  
1220  1  2  D  369  ASP  D  369  .  ?        ?  
1221  1  2  D  370  LEU  D  370  .  ?        ?  
1222  1  2  D  371  PRO  D  371  .  ?        ?  
1223  1  2  D  372  GLN  D  372  .  ?        2  
1224  1  2  D  373  PRO  D  373  .  ?        ?  
1225  1  2  D  374  LEU  D  374  .  ?        ?  
1226  1  2  D  375  ARG  D  375  .  ?        ?  
1227  1  2  D  376  SER  D  376  .  ?        ?  
1228  1  2  D  377  ASP  D  377  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.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
   1     1  ptp           ?       ?  ?           ?  11   8  0.33  10  0.40  molprobity  
   2     2  mt-30    -130.4   179.0  Favored     ?   8   9  0.31  12  0.44  molprobity  
   3     3  p        -159.9   162.6  Favored     ?   5   6  0.30   8  0.65  molprobity  
   4     4  p        -125.7  -166.9  Allowed     ?   7   7  0.24  10  0.70  molprobity  
   5     5  p         -70.8   -20.7  Favored     ?   5   6  0.16   8  0.38  molprobity  
   6     6  m-20     -138.0     1.1  Favored     ?   6   8  0.32  11  0.74  molprobity  
   7     7  m80      -140.3   156.7  Favored     ?   7  11  0.25  15  0.34  molprobity  
   8     8  pp       -150.2   152.1  Favored     ?  11   8  0.29  11  1.03  molprobity  
   9     9  p90      -153.9   142.7  Favored     ?  10  16  0.50  23  0.26  molprobity  
  10    10  mm?       -83.7   145.0  Favored     ?  11   8  0.23  11  1.14  molprobity  
  11    11  mp        -79.5    -8.3  Favored     ?  11   8  0.24  11  0.59  molprobity  
  12    12  p         -92.5    48.0  Allowed     ?   5   6  0.14   8  0.55  molprobity  
  13    13  m-20     -140.9    34.4  Allowed     ?   4   8  0.25  11  0.42  molprobity  
  14    14  mt        -74.5   108.0  Favored     ?  11   8  0.40  11  0.45  molprobity  
  15    15  mt        -77.2   -23.6  Favored     ?  11   8  0.28  11  0.95  molprobity  
  16    16  ?        -170.4   130.9  Favored     ?   3   4  0.31   5  0.59  molprobity  
  17    17  mm100     -89.5   163.9  Favored     ?   8   9  0.31  12  0.46  molprobity  
  18    18  ?        -179.8   160.2  Favored     ?   3   4  0.43   5  0.83  molprobity  
  19    19  ?         -79.0    -6.5  Favored     ?   5   5  0.29   7  0.46  molprobity  
  20    20  m        -107.5   -39.5  Favored     ?   7   7  0.22  10  0.52  molprobity  
  21    21  ?        -155.7   177.6  Favored     ?   5   5  0.28   7  0.61  molprobity  
  22    22  m-20     -130.5   132.5  Favored     ?   6   8  0.24  11  0.36  molprobity  
  23    23  t        -106.4   116.1  Favored     ?   9   7  0.61  10  0.67  molprobity  
  24    24  m-85     -109.5   162.2  Favored     ?   9  12  0.68  16  0.46  molprobity  
  25    25  ttp180   -100.3   113.4  Favored     ?  13  11  0.51  14  0.67  molprobity  
  26    26  ?        -127.4  -168.9  Favored     ?   3   4  0.60   5  0.65  molprobity  
  27    27  ptp180   -149.4   151.1  Favored     ?  13  11  0.48  14  0.63  molprobity  
  28    28  t-80      -68.3   140.5  Favored     ?   7  11  0.24  15  0.35  molprobity  
  29    29  ttmt      -77.0   -28.2  Favored     ?  13   9  0.32  11  0.55  molprobity  
  30    30  mtpp     -102.3   -24.9  Favored     ?  13   9  0.29  11  0.56  molprobity  
  31    31  p        -114.6    -9.3  Favored     ?   7   7  0.20  10  0.84  molprobity  
  32    32  ?          76.9     4.0  Favored     ?   3   4  0.43   5  0.80  molprobity  
  33    33  m-20      -74.8   143.5  Favored     ?   4   8  0.33  11  0.34  molprobity  
  34    34  mp        -82.6   149.8  Favored     ?  11   8  0.25  11  0.77  molprobity  
  35    35  m-85     -147.2   167.2  Favored     ?   9  12  0.77  16  0.45  molprobity  
  36    36  ?        -107.0   127.2  Favored     ?   5   5  0.35   7  0.63  molprobity  
  37    37  mp       -110.8   123.8  Favored     ?  11   8  0.55  11  0.64  molprobity  
  38    38  tttp     -105.3   107.2  Favored     ?  13   9  0.36  11  0.60  molprobity  
  39    39  t         -98.0   123.0  Favored     ?   9   7  0.54  10  0.56  molprobity  
  40    40  m-85      -83.0   172.7  Favored     ?   9  12  0.56  16  0.36  molprobity  
  41    41  p30      -148.3    93.5  Favored     ?   6   8  0.31  11  0.62  molprobity  
  42    42  t-20          ?       ?  ?           ?   6   7  0.39   8  0.34  molprobity  
  43    43  p             ?       ?  ?           ?   8   7  0.26  10  0.50  molprobity  
  44    44  m-20      -78.8    -6.0  Favored     ?   4   8  0.23  11  0.41  molprobity  
  45    45  t         -63.0   -50.3  Favored     ?   9   7  0.27  10  0.35  molprobity  
  46    46  tt0       -72.6   -25.7  Favored     ?   8   9  0.32  12  0.53  molprobity  
  47    47  mmm       -67.2   -40.3  Favored     ?   9   8  0.31  10  0.41  molprobity  
  48    48  mtt180    -73.0   -29.9  Favored     ?  13  11  0.28  14  0.34  molprobity  
  49    49  mt-10     -60.1   -48.0  Favored     ?   6   9  0.25  12  0.39  molprobity  
  50    50  m-30      -71.3   -26.3  Favored     ?   9  12  0.34  16  0.36  molprobity  
  51    51  tp10      -71.4   -36.9  Favored     ?   6   9  0.30  12  0.43  molprobity  
  52    52  t         -68.5   -42.5  Favored     ?   9   7  0.35  10  0.54  molprobity  
  53    53  mp        -69.0   -18.2  Favored     ?  11   8  0.18  11  0.84  molprobity  
  54    54  tttt      -70.5   -30.1  Favored     ?  13   9  0.23  11  0.47  molprobity  
  55    55  mmtt      -82.2    -5.9  Favored     ?  13   9  0.23  11  0.53  molprobity  
  56    56  mt        -70.3   151.4  Favored     ?  11   8  0.33  11  0.73  molprobity  
  57    57  t-20     -154.1   108.8  Favored     ?   6   8  0.26  11  0.60  molprobity  
  58    58  t-80     -157.1   159.6  Favored     ?   7  11  0.32  15  0.60  molprobity  
  59    59  ptmt      -87.0     5.7  Favored     ?  13   9  0.50  11  0.58  molprobity  
  60    60  m120     -124.5    22.8  Favored     ?   6   8  0.42  11  0.35  molprobity  
  61    61  mm       -126.3   131.4  Favored     ?  11   8  0.37  11  0.58  molprobity  
  62    62  t         -71.7   125.6  Favored     ?   9   7  1.04  10  0.68  molprobity  
  63    63  mttt      -74.2   134.3  Favored     ?  13   9  0.43  11  0.41  molprobity  
  64    64  tp       -101.0   112.5  Favored     ?  11   8  0.24  11  0.65  molprobity  
  65    65  m-85      -80.3   -60.0  Favored     ?   9  12  0.56  16  0.34  molprobity  
  66    66  ?        -154.6   156.0  Favored     ?   5   5  0.31   7  0.61  molprobity  
  67    67  tt       -112.5   123.8  Favored     ?  11   8  0.25  11  0.61  molprobity  
  68    68  mt-10    -131.2  -168.4  Allowed     ?   6   9  0.31  12  0.22  molprobity  
  69    69  tt0      -134.7   134.2  Favored     ?   6   9  0.34  12  0.50  molprobity  
  70    70  tp10      -59.6   146.4  Favored     ?   6   9  0.64  12  0.86  molprobity  
  71    71  p         -86.9   -35.9  Favored     ?   7   7  0.19  10  0.70  molprobity  
  72    72  m         -74.1   -62.6  Allowed     ?   7   7  0.30  10  0.55  molprobity  
  73    73  m         -99.6   159.8  Favored     ?   7   7  0.32  10  0.80  molprobity  
  74    74  mmp_?     -91.0    50.8  Allowed     ?  13  11  0.26  14  0.66  molprobity  
  75    75  m-70      -88.8   178.7  Favored     ?   7  11  0.24  15  0.36  molprobity  
  76    76  mptt     -108.9   145.2  Favored     ?  13   9  0.27  11  0.49  molprobity  
  77    77  m        -128.7   154.0  Favored     ?   9   7  0.72  10  0.59  molprobity  
  78    78  mt       -120.7   126.8  Favored     ?  11   8  0.40  11  0.73  molprobity  
  79    79  mp       -100.4   118.6  Favored     ?  11   8  0.48  11  0.53  molprobity  
  80    80  ptp      -135.2   168.5  Favored     ?   9   8  0.45  10  0.59  molprobity  
  81    81  pt-20     -76.1   150.4  Favored     ?   6   9  0.55  12  0.67  molprobity  
  82    82  t80       -93.0   114.7  Favored     ?   9  12  0.56  16  0.48  molprobity  
  83    83  m         -99.0   103.6  Favored     ?   5   6  0.34   9  0.54  molprobity  
  84    84  Cg_exo    -75.9   -20.2  Favored     ?   7   8  0.44  11  0.55  molprobity  
  85    85  m         -90.6     6.7  Favored     ?   5   6  0.46   8  0.63  molprobity  
  86    86  ?          77.5  -177.5  Favored     ?   3   4  0.51   5  0.74  molprobity  
  87    87  p         -91.0  -166.8  Allowed     ?   5   6  0.43   8  0.66  molprobity  
  88    88  tp        -78.7   -19.4  Favored     ?  11   8  0.38  11  0.69  molprobity  
  89    89  m-30      -58.6   -45.1  Favored     ?   9  13  0.63  18  0.37  molprobity  
  90    90  m         -67.3   -26.4  Favored     ?   7   7  0.19  10  0.56  molprobity  
  91    91  t         -74.1   -39.4  Favored     ?   9   7  0.80  10  0.52  molprobity  
  92    92  mt        -86.5    -4.4  Favored     ?  11   8  0.36  11  0.74  molprobity  
  93    93  mm-40     -92.3    -1.4  Favored     ?   6   9  0.67  12  0.52  molprobity  
  94    94  mt-10     -72.7   143.8  Favored     ?   6   9  0.51  13  0.34  molprobity  
  95    95  Cg_exo    -71.4   -19.1  Favored     ?   7   8  0.45  11  0.48  molprobity  
  96    96  p         -75.9   -19.9  Favored     ?   5   6  0.35   8  0.27  molprobity  
  97    97  m-20     -102.4    24.1  Favored     ?   6   8  0.36  11  0.35  molprobity  
  98    98  ?         -75.0   -16.4  Favored     ?   5   5  0.31   7  0.47  molprobity  
  99    99  m-85     -124.1    41.8  Favored     ?   9  13  1.30  18  0.48  molprobity  
 100   100  ?          96.1   148.4  Favored     ?   3   4  0.46   5  0.59  molprobity  
 101   101  mt        -66.5   158.7  Favored     ?  11   8  0.47  12  0.81  molprobity  
 102   102  Cg_exo    -66.6   163.1  Favored     ?   7   8  0.48  11  0.39  molprobity  
 103   103  tt0       -70.5   -34.4  Favored     ?   6   9  0.94  12  0.60  molprobity  
 104   104  p         -68.8   -44.2  Favored     ?   5   6  0.36   8  0.38  molprobity  
 105   105  tp10      -66.8   -33.5  Favored     ?   6   9  0.62  12  0.56  molprobity  
 106   106  t80       -65.4   -41.0  Favored     ?   9  12  0.72  16  0.30  molprobity  
 107   107  mt        -68.9   -31.7  Favored     ?  11   8  0.36  11  0.64  molprobity  
 108   108  mt        -64.4   -44.0  Favored     ?  11   8  0.58  11  0.47  molprobity  
 109   109  t         -61.7   -44.7  Favored     ?   9   7  0.88  10  0.49  molprobity  
 110   110  tp        -60.7   -47.2  Favored     ?  11   8  0.46  11  0.84  molprobity  
 111   111  ttp180    -62.5   -45.2  Favored     ?  13  11  0.50  14  0.59  molprobity  
 112   112  m-20      -75.9   -34.7  Favored     ?   4   8  0.40  11  0.56  molprobity  
 113   113  t         -68.1   -42.1  Favored     ?   9   7  0.86  10  0.72  molprobity  
 114   114  t         -67.3   -34.8  Favored     ?   9   7  0.74  10  0.98  molprobity  
 115   115  ?         -66.9   -39.3  Favored     ?   3   4  0.29   5  0.63  molprobity  
 116   116  ?         -66.9   -39.4  Favored     ?   3   4  0.19   5  0.09  molprobity  
 117   117  mmt       -58.7   -46.0  Favored     ?   9   8  0.49  10  0.92  molprobity  
 118   118  t30       -65.3   -43.3  Favored     ?   6   8  0.27  11  0.53  molprobity  
 119   119  t60       -72.1   -27.1  Favored     ?   7  11  0.30  15  0.49  molprobity  
 120   120  mt        -74.7   -36.0  Favored     ?  11   8  0.34  11  0.63  molprobity  
 121   121  ttt-85    -75.4   -32.1  Favored     ?  13  11  0.41  14  0.49  molprobity  
 122   122  tt0       -68.9   -31.7  Favored     ?   6   9  0.35  12  0.45  molprobity  
 123   123  m120      -83.8   -32.1  Favored     ?   6   8  0.22  11  0.56  molprobity  
 124   124  ?         115.1    24.4  Favored     ?   3   4  0.35   5  0.30  molprobity  
 125   125  mp        -88.8   120.9  Favored     ?  11   8  0.35  11  0.47  molprobity  
 126   126  t         -84.4   114.9  Favored     ?   9   7  0.55  10  0.54  molprobity  
 127   127  p-80     -117.2  -179.2  Favored     ?   7  11  0.26  15  0.39  molprobity  
 128   128  mtt180    -79.8  -165.9  Allowed     ?  13  11  0.61  14  0.63  molprobity  
 129   129  m-20      -97.6   115.7  Favored     ?   6   8  0.27  11  0.60  molprobity  
 130   130  pp        -80.0   142.8  Favored     ?  11   8  0.47  11  0.78  molprobity  
 131   131  mtmt     -129.5   172.0  Favored     ?  13   9  0.34  12  0.86  molprobity  
 132   132  Cg_exo    -65.9    -6.1  Favored     ?   7   8  0.61  11  1.05  molprobity  
 133   133  ?         -88.4   -11.2  Favored     ?   3   4  0.61   5  0.41  molprobity  
 134   134  m-20      -95.6    11.1  Favored     ?   6   8  0.43  11  0.48  molprobity  
 135   135  mt       -121.5   102.3  Favored     ?  11   8  0.66  11  0.73  molprobity  
 136   136  mmm       -86.2   160.7  Favored     ?   9   8  0.45  10  0.58  molprobity  
 137   137  ttt-85   -122.9   138.5  Favored     ?  13  11  0.55  14  0.39  molprobity  
 138   138  p        -139.4   153.9  Favored     ?   9   7  0.58  10  0.62  molprobity  
 139   139  mm        -88.9   116.2  Favored     ?  11   8  0.43  11  0.48  molprobity  
 140   140  ?         -70.4   179.7  Favored     ?   3   4  0.45   5  0.73  molprobity  
 141   141  pt-20     -75.0     0.8  Favored     ?   6   9  0.33  12  0.60  molprobity  
 142   142  p-10     -135.8    28.8  Favored     ?   4   8  0.24  11  0.64  molprobity  
 143   143  ?          91.4   -34.1  Favored     ?   3   4  0.53   5  0.47  molprobity  
 144   144  mt-30     -72.3   152.7  Favored     ?   8   9  0.50  12  0.39  molprobity  
 145   145  m         -76.7   154.8  Favored     ?   5   6  0.46   8  0.51  molprobity  
 146   146  t        -131.3   123.3  Favored     ?   9   7  0.94  10  0.74  molprobity  
 147   147  m-85     -100.8   133.5  Favored     ?   9  13  1.15  18  0.49  molprobity  
 148   148  mttt     -125.6   157.8  Favored     ?  13   9  0.63  11  0.43  molprobity  
 149   149  mt       -107.0   135.9  Favored     ?  11   8  0.56  11  0.95  molprobity  
 150   150  t        -141.8   165.6  Favored     ?   7   7  0.36  10  0.91  molprobity  
 151   151  t0         54.7    51.0  Favored     ?   4   8  0.35  11  0.52  molprobity  
 152   152  p90      -103.7   137.3  Favored     ?   9  12  0.45  16  0.40  molprobity  
 153   153  ?             ?       ?  ?           ?   3   3  0.36   2  0.41  molprobity  
 154   154  ?             ?       ?  ?           ?   2   4  0.25   5  1.82  molprobity  
 155   155  t          58.6     2.9  Allowed     ?   7   7  0.35  10  1.00  molprobity  
 156   156  mm-40    -124.6    -1.4  Favored     ?   6   9  0.37  12  0.42  molprobity  
 157   157  mp0       -83.7   -13.9  Favored     ?   6   9  0.34  12  0.36  molprobity  
 158   158  m-85      -90.9     5.8  Favored     ?   9  13  1.17  18  0.41  molprobity  
 159   159  mp       -103.9   158.8  Favored     ?  11   8  0.31  11  0.75  molprobity  
 160   160  t60       -69.4   139.4  Favored     ?   7  11  0.26  16  0.48  molprobity  
 161   161  Cg_endo   -80.2    17.6  Allowed     ?   7   8  0.32  11  0.62  molprobity  
 162   162  m-20          ?       ?  ?           ?   4   7  0.16   8  0.32  molprobity  
 163   163  ?             ?       ?  ?           ?   4   5  0.17   7  0.32  molprobity  
 164   164  m         -73.0   129.1  Favored     ?   7   7  0.21  10  0.49  molprobity  
 165   165  t         -74.8   123.2  Favored     ?   9   7  0.64  10  0.44  molprobity  
 166   166  t0        -86.5   146.8  Favored     ?   4   8  0.32  11  0.48  molprobity  
 167   167  mt       -125.5    23.2  Favored     ?  11   8  0.36  11  0.50  molprobity  
 168   168  t-105     -72.6   -42.9  Favored     ?  10  16  0.61  23  0.17  molprobity  
 169   169  p         -69.5   -33.4  Favored     ?   5   6  0.47   8  0.39  molprobity  
 170   170  mt        -66.7   -37.0  Favored     ?  11   8  0.64  11  0.75  molprobity  
 171   171  ?         -68.7   -40.8  Favored     ?   3   4  0.21   5  0.39  molprobity  
 172   172  t         -71.3   -33.0  Favored     ?   9   7  0.94  10  0.74  molprobity  
 173   173  m         -62.0   -43.3  Favored     ?   7   7  0.33  10  0.53  molprobity  
 174   174  m-30      -75.5   -31.9  Favored     ?   9  12  0.70  16  0.43  molprobity  
 175   175  t80       -68.9   -37.5  Favored     ?   9  13  1.10  18  0.26  molprobity  
 176   176  t-160     -68.4   -33.5  Favored     ?   7  11  0.31  15  0.44  molprobity  
 177   177  ?         -75.0   -31.6  Favored     ?   5   5  0.26   7  0.32  molprobity  
 178   178  ?         -78.6   -39.5  Favored     ?   5   5  0.18   7  0.39  molprobity  
 179   179  p        -111.5   -24.1  Favored     ?   7   7  0.35  10  1.07  molprobity  
 180   180  ?          95.6    -3.5  Favored     ?   3   4  0.52   5  0.61  molprobity  
 181   181  m        -134.1   156.9  Favored     ?   5   6  0.37   8  0.49  molprobity  
 182   182  mt        -70.0   149.0  Favored     ?  11   8  0.46  12  0.71  molprobity  
 183   183  Cg_endo   -71.3   -42.4  Allowed     ?   7   8  0.65  11  0.44  molprobity  
 184   184  m-85     -112.3   111.3  Favored     ?   9  12  0.84  16  0.42  molprobity  
 185   185  mtm180   -123.2   113.1  Favored     ?  13  11  0.57  15  0.55  molprobity  
 186   186  Cg_exo    -72.0   166.2  Favored     ?   7   8  0.38  11  0.49  molprobity  
 187   187  t80       -82.6   135.6  Favored     ?   9  12  0.49  16  0.54  molprobity  
 188   188  tt0           ?       ?  ?           ?   6   8  0.33   9  0.40  molprobity  
 189   189  mttt          ?       ?  ?           ?  12   9  0.25  11  0.34  molprobity  
 190   190  pm0      -129.8   -30.7  Favored     ?   6   9  0.45  12  0.56  molprobity  
 191   191  t         -72.0   -32.3  Favored     ?   9   7  0.34  10  0.52  molprobity  
 192   192  tpt       -63.5   -43.0  Favored     ?   9   8  0.41  10  0.68  molprobity  
 193   193  t80       -67.9   -39.6  Favored     ?   9  13  0.46  18  0.42  molprobity  
 194   194  mttt      -70.3   -29.1  Favored     ?  13   9  0.30  11  0.35  molprobity  
 195   195  mt        -72.4   -54.2  Favored     ?  11   8  0.27  11  0.30  molprobity  
 196   196  mt        -70.5   -26.4  Favored     ?  11   8  0.36  11  0.85  molprobity  
 197   197  m         -69.8   -43.4  Favored     ?   7   7  0.17  10  0.66  molprobity  
 198   198  ?         -91.2    36.4  Favored     ?   3   4  0.34   5  0.18  molprobity  
 199   199  ttpp      -86.8   133.7  Favored     ?  13   9  0.37  12  0.47  molprobity  
 200   200  Cg_endo   -71.7   177.0  Favored     ?   7   8  0.27  11  0.21  molprobity  
 201   201  m         -78.9   141.8  Favored     ?   5   6  0.23   8  0.23  molprobity  
 202   202  ?          83.7   -13.7  Favored     ?   3   4  0.59   5  0.69  molprobity  
 203   203  ?         -75.6   134.3  Favored     ?   5   5  0.27   7  0.24  molprobity  
 204   204  pt       -113.0    -4.6  Favored     ?  11   8  0.54  11  0.62  molprobity  
 205   205  p        -153.2   154.5  Favored     ?   5   6  0.35   8  0.60  molprobity  
 206   206  ?        -146.6   124.1  Allowed     ?   3   4  0.54   5  0.53  molprobity  
 207   207  t        -112.2   130.9  Favored     ?   9   7  0.47  10  0.47  molprobity  
 208   208  tt0      -113.3   119.3  Favored     ?   8   9  0.36  12  0.43  molprobity  
 209   209  mttt     -105.1    -7.7  Favored     ?  13   9  0.29  11  0.59  molprobity  
 210   210  ?        -124.0   178.7  Favored     ?   5   5  0.35   7  0.52  molprobity  
 211   211  mm-40     -83.7   115.6  Favored     ?   6   9  0.41  12  0.67  molprobity  
 212   212  m-20       60.6    23.6  Favored     ?   6   8  0.18  11  0.61  molprobity  
 213   213  ?         -81.3  -174.7  Favored     ?   3   4  0.65   6  0.54  molprobity  
 214   214  Cg_endo   -72.7   162.2  Favored     ?   7   8  0.25  11  0.40  molprobity  
 215   215  mp       -105.8   126.6  Favored     ?  11   8  0.39  11  0.62  molprobity  
 216   216  m-20      -76.8   111.4  Favored     ?   4   8  0.35  11  0.35  molprobity  
 217   217  m95       -92.9   143.9  Favored     ?  10  16  0.65  23  0.28  molprobity  
 218   218  t        -133.2   153.8  Favored     ?   5   6  0.48   8  0.51  molprobity  
 219   219  ?        -125.7     4.8  Favored     ?   3   4  0.51   5  0.36  molprobity  
 220   220  m-20     -124.2   160.4  Favored     ?   4   8  0.31  11  0.50  molprobity  
 221   221  mmt       -63.6   150.1  Favored     ?   9   8  0.53  11  0.66  molprobity  
 222   222  Cg_endo   -70.4   171.1  Favored     ?   7   8  0.48  11  0.43  molprobity  
 223   223  t         -73.8   -26.2  Favored     ?   9   7  0.44  10  0.62  molprobity  
 224   224  p         -89.7    26.0  Allowed     ?   5   6  0.40   8  0.41  molprobity  
 225   225  t         -90.2   125.8  Favored     ?   5   6  0.95   8  0.35  molprobity  
 226   226  p         -76.9    -7.5  Favored     ?   5   6  0.34   8  0.60  molprobity  
 227   227  mt        -74.6   140.4  Favored     ?  11   8  0.44  11  0.88  molprobity  
 228   228  p         -66.6   163.8  Favored     ?   5   6  0.44   8  0.48  molprobity  
 229   229  tpt180    -70.7   -35.5  Favored     ?  13  11  0.40  14  0.40  molprobity  
 230   230  ?         -65.4   -23.2  Favored     ?   3   4  0.36   5  0.33  molprobity  
 231   231  tp        -89.8   -33.5  Favored     ?  11   8  0.37  11  0.52  molprobity  
 232   232  mt-30     -65.3   -34.7  Favored     ?   8   9  0.56  12  0.46  molprobity  
 233   233  t         -65.6   -33.7  Favored     ?   9   7  0.61  10  0.81  molprobity  
 234   234  mt        -81.4   -23.1  Favored     ?  11   8  0.36  11  0.81  molprobity  
 235   235  tp        -98.1   -27.6  Favored     ?  11   8  0.33  11  0.93  molprobity  
 236   236  m         -65.0   -37.0  Favored     ?   7   7  0.42  11  1.08  molprobity  
 237   237  Cg_exo    -66.4   -30.8  Favored     ?   7   8  0.70  11  0.71  molprobity  
 238   238  t         -65.3   -50.7  Favored     ?   9   7  0.95  10  0.42  molprobity  
 239   239  mt        -70.2   -22.7  Favored     ?  11   8  0.43  11  0.65  molprobity  
 240   240  ?         -76.5   -24.0  Favored     ?   5   5  0.35   7  0.34  molprobity  
 241   241  m-20     -101.0    -5.0  Favored     ?   6   8  0.29  11  0.78  molprobity  
 242   242  pt       -110.0   -14.5  Favored     ?  11   8  0.54  11  0.68  molprobity  
 243   243  mt        -93.7    31.1  Allowed     ?  11   8  0.45  11  0.44  molprobity  
 244   244  tp10      -75.6   141.4  Favored     ?   6   9  0.28  12  0.43  molprobity  
 245   245  ?         -73.8   -20.6  Favored     ?   5   5  0.30   7  0.48  molprobity  
 246   246  t0       -112.2   126.1  Favored     ?   4   8  0.18  11  0.60  molprobity  
 247   247  mt-30     -72.0   -12.1  Favored     ?   8   9  0.30  12  0.56  molprobity  
 248   248  tp10      -71.7   -32.2  Favored     ?   6   9  0.35  12  0.45  molprobity  
 249   249  mttt      -97.8     3.2  Favored     ?  13   9  0.29  11  0.58  molprobity  
 250   250  m         -75.9   177.0  Favored     ?   5   6  0.43   8  0.55  molprobity  
 251   251  m0        -85.7   -38.2  Favored     ?  10  16  0.59  23  0.56  molprobity  
 252   252  ?          82.0  -169.9  Favored     ?   3   4  0.53   5  1.20  molprobity  
 253   253  t80       -96.9   -29.5  Favored     ?   9  12  0.70  16  0.67  molprobity  
 254   254  m-20      -73.9   -41.5  Favored     ?   4   8  0.33  11  0.32  molprobity  
 255   255  tt0       -67.3   -36.3  Favored     ?   8   9  0.40  12  0.46  molprobity  
 256   256  t80       -65.0   -41.7  Favored     ?   9  12  0.50  16  0.26  molprobity  
 257   257  t80       -67.6   -39.2  Favored     ?   9  12  0.58  16  0.22  molprobity  
 258   258  ?         -67.0   -38.9  Favored     ?   5   5  0.23   7  0.50  molprobity  
 259   259  tp10      -75.0   -37.2  Favored     ?   6   9  0.35  12  0.54  molprobity  
 260   260  p         -71.6   -29.0  Favored     ?   7   7  0.36  10  0.73  molprobity  
 261   261  m         -71.9   -28.0  Favored     ?   5   6  0.41   8  0.37  molprobity  
 262   262  t70       -69.0   -30.1  Favored     ?   4   8  0.32  11  0.38  molprobity  
 263   263  mt        -73.0   -42.9  Favored     ?  11   8  0.40  11  0.54  molprobity  
 264   264  mt        -76.6   -20.2  Favored     ?  11   8  0.43  11  0.97  molprobity  
 265   265  m170      -91.5    11.6  Favored     ?   7  11  0.29  15  0.34  molprobity  
 266   266  mmt85     -84.3   149.3  Favored     ?  13  11  0.65  14  0.62  molprobity  
 267   267  ptp       -99.2   164.4  Favored     ?   9   8  0.34  10  0.64  molprobity  
 268   268  t        -114.8   134.6  Favored     ?   9   7  0.76  10  0.48  molprobity  
 269   269  mt       -123.2   126.3  Favored     ?  11   8  0.61  11  0.57  molprobity  
 270   270  m-70      -93.3   124.2  Favored     1   7  11  0.31  15  0.24  molprobity  
 271   271  t        -129.1   125.2  Favored     ?   9   7  1.16  10  0.66  molprobity  
 272   272  t80      -109.5   106.5  Favored     ?   9  12  0.68  16  0.24  molprobity  
 273   273  t         -71.9   121.2  Favored     ?   5   6  0.43   8  0.50  molprobity  
 274   274  tp        -85.5   -37.6  Favored     ?  11   8  0.46  11  0.72  molprobity  
 275   275  mt-30     -75.3   -19.7  Favored     ?   8   9  0.70  12  0.41  molprobity  
 276   276  mt-30    -103.8   -13.1  Favored     ?   8   9  0.67  12  0.65  molprobity  
 277   277  ttt        56.4    55.0  Favored     ?   9   8  0.31  10  0.91  molprobity  
 278   278  p        -139.1   135.0  Favored     ?   7   7  0.29  10  0.74  molprobity  
 279   279  ?         -93.8   148.3  Favored     ?   5   5  0.27   7  0.54  molprobity  
 280   280  m-70     -137.9   150.7  Favored     ?   7  11  0.35  15  0.49  molprobity  
 281   281  mttt     -119.4   104.2  Favored     ?  13   9  0.53  11  0.52  molprobity  
 282   282  mp        -85.1   123.7  Favored     ?  11   8  0.60  11  0.56  molprobity  
 283   283  m-30      -98.1   121.5  Favored     ?   9  13  1.26  18  0.75  molprobity  
 284   284  tt       -138.3   148.5  Favored     ?  11   8  0.41  11  0.65  molprobity  
 285   285  m-70      -73.7   164.2  Favored     ?   7  11  0.25  15  0.46  molprobity  
 286   286  m         -74.9   -10.3  Favored     ?   5   6  0.28   8  0.45  molprobity  
 287   287  p90      -118.9    14.9  Favored     ?   9  13  0.55  18  0.51  molprobity  
 288   288  m120      -87.1   153.1  Favored     ?   6   8  0.51  11  0.61  molprobity  
 289   289  p         -82.7  -175.8  Favored     ?   7   7  0.36  10  0.70  molprobity  
 290   290  ?         -76.9   -19.1  Favored     ?   5   5  0.27   7  0.40  molprobity  
 291   291  m         -66.0   -40.6  Favored     ?   7   7  0.29  10  0.51  molprobity  
 292   292  mt        -71.2   -28.7  Favored     ?  11   8  0.52  11  0.89  molprobity  
 293   293  t80       -66.7   -41.6  Favored     ?   9  12  0.69  16  0.31  molprobity  
 294   294  m-70      -67.4   -34.5  Favored     ?   7  11  0.30  15  0.30  molprobity  
 295   295  tt0       -68.4   -36.7  Favored     ?   6   9  0.39  12  0.45  molprobity  
 296   296  mt        -71.4   -31.5  Favored     ?  11   8  0.27  11  0.52  molprobity  
 297   297  t         -70.4   -34.1  Favored     ?   9   7  0.95  10  0.83  molprobity  
 298   298  t80       -64.8   -37.7  Favored     ?   9  13  0.92  18  0.40  molprobity  
 299   299  mttt      -68.2   -18.1  Favored     ?  13   9  0.40  11  0.57  molprobity  
 300   300  mt-30    -112.6   -33.1  Favored     ?   8   9  0.50  12  0.61  molprobity  
 301   301  p        -103.0    -3.3  Favored     ?   7   7  0.40  10  0.89  molprobity  
 302   302  mmtm       57.7    37.8  Favored     ?  13   9  0.38  11  0.39  molprobity  
 303   303  mt       -113.8   123.6  Favored     ?  11   8  0.55  11  0.73  molprobity  
 304   304  mp        -66.0   146.8  Favored     ?  11   8  0.29  11  0.96  molprobity  
 305   305  m         -59.5   -22.3  Favored     ?   5   6  0.29   8  0.62  molprobity  
 306   306  m         -90.3    13.5  Favored     ?   5   6  0.24   8  0.38  molprobity  
 307   307  m-20     -130.2    -8.0  Favored     ?   6   8  0.39  11  0.57  molprobity  
 308   308  mt-30     -74.5   114.3  Favored     ?   8   9  0.57  12  0.36  molprobity  
 309   309  mt-10    -109.0   121.1  Favored     ?   6   9  0.64  12  0.51  molprobity  
 310   310  mt       -101.2   140.1  Favored     ?  11   8  0.55  11  0.44  molprobity  
 311   311  mt       -129.3   131.4  Favored     ?  11   8  0.48  11  0.58  molprobity  
 312   312  t80      -142.6   109.2  Favored     ?   9  13  0.84  18  0.50  molprobity  
 313   313  mt-10      55.9    65.8  Allowed     ?   6   9  0.55  12  0.89  molprobity  
 314   314  ?          92.3   -93.5  Allowed     ?   3   4  0.58   5  0.43  molprobity  
 315   315  mpt_?     -66.8   176.3  Favored     ?  13  11  0.42  14  0.79  molprobity  
 316   316  mtt180    -76.3  -173.8  Favored     ?  13  11  0.61  14  0.64  molprobity  
 317   317  tp       -147.1   113.9  Favored     ?  11   8  0.49  11  0.86  molprobity  
 318   318  t        -112.8    99.3  Favored     ?   9   7  0.44  10  0.62  molprobity  
 319   319  mt        -85.5   110.3  Favored     ?  11   8  0.32  11  0.55  molprobity  
 320   320  pm0       -68.8   143.8  Favored     ?   6   9  0.32  13  0.60  molprobity  
 321   321  Cg_exo    -73.4     6.0  Favored     ?   7   8  0.28  11  0.67  molprobity  
 322   322  ?        -111.9    21.1  Favored     ?   3   4  0.43   5  0.18  molprobity  
 323   323  ttt180    -96.9   123.7  Favored     ?  13  11  0.34  14  0.53  molprobity  
 324   324  mt        -72.7   155.3  Favored     ?  11   8  0.28  11  0.44  molprobity  
 325   325  ?         -75.8    -9.3  Favored     ?   5   5  0.30   7  0.63  molprobity  
 326   326  pt20      -87.0    -2.1  Favored     ?   8   9  0.30  12  0.34  molprobity  
 327   327  m-70     -108.8    11.9  Favored     ?   7  11  0.26  15  0.22  molprobity  
 328   328  m-30      -71.7   159.6  Favored     ?   9  12  0.55  17  0.32  molprobity  
 329   329  Cg_endo   -71.2   154.4  Favored     ?   7   8  0.44  11  0.36  molprobity  
 330   330  mmtt      -79.4   127.3  Favored     ?  13   9  0.26  11  0.33  molprobity  
 331   331  p        -120.6   150.0  Favored     ?   7   7  0.43  10  0.71  molprobity  
 332   332  p        -121.5  -171.7  Favored     ?   7   7  0.23  10  0.73  molprobity  
 333   333  mt-10     -74.6   -30.4  Favored     ?   6   9  0.40  12  0.48  molprobity  
 334   334  mp0       -92.8     1.1  Favored     ?   6   9  0.52  12  0.52  molprobity  
 335   335  t-20     -134.1    78.5  Favored     ?   6   8  0.33  12  0.37  molprobity  
 336   336  Cg_endo   -90.4  -174.6  Allowed     ?   7   8  0.68  11  0.47  molprobity  
 337   337  mt       -109.5   112.4  Favored     ?  11   8  0.62  11  0.64  molprobity  
 338   338  m-85      -79.3   136.0  Favored     ?   9  12  0.90  16  0.26  molprobity  
 339   339  t        -111.4   118.8  Favored     ?   9   7  1.55  10  0.73  molprobity  
 340   340  t        -121.5   140.0  Favored     ?   9   7  0.67  10  0.60  molprobity  
 341   341  t        -107.5  -177.7  Favored     ?   5   6  0.32   8  0.44  molprobity  
 342   342  mtt-85   -109.6   -21.1  Favored     ?  13  11  0.67  14  1.01  molprobity  
 343   343  mm-40    -100.3   145.5  Favored     ?   6   9  0.32  13  0.40  molprobity  
 344   344  Cg_endo   -76.0   151.7  Favored     ?   7   8  0.38  11  0.58  molprobity  
 345   345  mt       -128.8  -170.3  Favored     ?  11   8  0.24  11  0.41  molprobity  
 346   346  m-20     -111.0   125.4  Favored     ?   6   8  0.20  11  0.32  molprobity  
 347   347  m         -79.0   107.0  Favored     ?   7   7  0.40  10  0.69  molprobity  
 348   348  mt        -90.3   -61.9  Allowed     ?  11   8  0.37  11  0.50  molprobity  
 349   349  ?          99.5  -158.2  Favored     ?   3   4  0.60   5  0.61  molprobity  
 350   350  tp        -94.0   132.3  Favored     ?  11   8  0.44  11  0.34  molprobity  
 351   351  mt       -105.0   110.6  Favored     ?  11   8  0.46  11  0.57  molprobity  
 352   352  p90      -131.6   164.0  Favored     ?   9  13  0.96  18  0.53  molprobity  
 353   353  tp10      -86.1   144.7  Favored     ?   6   9  0.53  12  0.71  molprobity  
 354   354  mmtm      -91.6   105.3  Favored     ?  13   9  0.34  11  0.44  molprobity  
 355   355  mm       -108.6   129.7  Favored     ?  11   8  0.42  11  0.63  molprobity  
 356   356  m        -110.0   166.9  Favored     ?   5   6  0.30   8  0.44  molprobity  
 357   357  mt        -80.7   139.0  Favored     ?  11   8  0.43  12  0.69  molprobity  
 358   358  Cg_endo   -71.9   161.0  Favored     ?   7   8  0.36  11  0.42  molprobity  
 359   359  mmmt      -74.7   127.0  Favored     ?  13   9  0.31  11  0.30  molprobity  
 360   360  p         -77.0   136.8  Favored     ?   9   7  0.59  10  0.66  molprobity  
 361   361  t-80      -97.2   132.2  Favored     ?   7  11  0.28  16  0.33  molprobity  
 362   362  Cg_endo   -80.9   -15.9  Favored     ?   7   8  0.28  11  0.61  molprobity  
 363   363  mtt-85    -72.5   151.2  Favored     ?  13  11  0.35  14  0.48  molprobity  
 364   364  t80       -77.9    90.1  Favored     ?   9  13  0.70  18  0.48  molprobity  
 365   365  t0       -121.8   112.8  Favored     ?   4   8  0.33  11  0.60  molprobity  
 366   366  tt        -79.9   -13.6  Favored     ?  11   8  0.40  11  1.28  molprobity  
 367   367  m-20      -89.3   -31.8  Favored     ?   4   8  0.26  11  0.59  molprobity  
 368   368  ?         -74.9   -19.8  Favored     ?   3   4  0.35   5  0.36  molprobity  
 369   369  m-20      -69.6   -36.8  Favored     ?   4   8  0.34  11  0.38  molprobity  
 370   370  ?         -68.1   -39.1  Favored     ?   5   5  0.21   7  0.16  molprobity  
 371   371  t         -67.0   -41.3  Favored     ?   5   6  0.32   8  0.25  molprobity  
 372   372  tmm?      -64.1   -41.4  Favored     ?   9   8  0.25  10  0.69  molprobity  
 373   373  ?         -66.2   -39.1  Favored     ?   5   5  0.24   7  0.24  molprobity  
 374   374  tttm      -65.9   -43.3  Favored     ?  13   9  0.36  11  0.43  molprobity  
 375   375  ?         -67.7   -39.6  Favored     ?   5   5  0.20   7  0.38  molprobity  
 376   376  mt        -70.6   -39.5  Favored     ?  11   8  0.92  11  0.68  molprobity  
 377   377  m         -67.7   -31.1  Favored     ?   7   7  0.36  10  0.80  molprobity  
 378   378  ?         -67.5   -36.2  Favored     ?   3   4  0.13   5  0.16  molprobity  
 379   379  t         -65.1   -44.2  Favored     ?   9   7  0.94  10  0.61  molprobity  
 380   380  t         -71.0   -30.7  Favored     ?   9   7  0.89  10  1.07  molprobity  
 381   381  m         -65.9   -40.6  Favored     ?   5   6  0.87   8  0.50  molprobity  
 382   382  t80       -61.8   -38.5  Favored     ?   9  13  1.07  18  0.40  molprobity  
 383   383  ?         -67.6   -36.7  Favored     ?   5   5  0.16   7  0.29  molprobity  
 384   384  t         -66.7   -38.0  Favored     ?   5   6  0.81   8  0.32  molprobity  
 385   385  ttp85     -66.3   -40.9  Favored     ?  13  11  0.48  14  0.54  molprobity  
 386   386  mm        -68.0   -32.2  Favored     ?  11   8  0.51  11  0.73  molprobity  
 387   387  ?         -66.9   -40.7  Favored     ?   5   5  0.28   7  0.44  molprobity  
 388   388  p         -68.3   -34.2  Favored     ?   5   6  0.57   8  0.38  molprobity  
 389   389  m         -68.4   -37.5  Favored     ?   7   7  0.50  10  0.61  molprobity  
 390   390  mt        -66.0   -38.6  Favored     ?  11   8  0.40  11  0.40  molprobity  
 391   391  tp        -65.8   -37.6  Favored     ?  11   8  0.45  11  0.58  molprobity  
 392   392  tp        -63.8   -40.6  Favored     ?  11   8  0.33  11  0.38  molprobity  
 393   393  m-30      -65.6   -38.7  Favored     ?   9  13  1.04  18  0.75  molprobity  
 394   394  mt-30     -67.5   -37.7  Favored     ?   8   9  0.76  12  0.33  molprobity  
 395   395  mm-40     -68.4   -41.5  Favored     ?   6   9  0.78  12  0.53  molprobity  
 396   396  mt        -68.1   -30.1  Favored     ?  11   8  0.49  11  0.59  molprobity  
 397   397  tpt       -68.5   -42.5  Favored     ?   9   8  0.48  10  0.45  molprobity  
 398   398  mtt85     -62.9   -40.0  Favored     ?  13  11  0.54  14  0.45  molprobity  
 399   399  ttpt      -69.4   -40.9  Favored     ?  13   9  0.67  11  0.65  molprobity  
 400   400  ?         -68.0   -36.7  Favored     ?   3   4  0.15   5  0.20  molprobity  
 401   401  mt        -62.6   -45.1  Favored     ?  11   8  0.40  11  0.30  molprobity  
 402   402  ttp-105   -63.4   -32.2  Favored     ?  13  11  0.47  14  0.55  molprobity  
 403   403  m0        -78.0   -35.9  Favored     ?  10  16  0.83  23  0.32  molprobity  
 404   404  tp        -67.9   -32.2  Favored     ?  11   8  0.48  11  1.14  molprobity  
 405   405  mt        -66.0   -36.3  Favored     ?  11   8  0.50  11  0.65  molprobity  
 406   406  mm-40     -68.3   -37.1  Favored     ?   6   9  0.50  12  0.40  molprobity  
 407   407  mp        -67.2   -36.5  Favored     ?  11   8  0.54  11  0.93  molprobity  
 408   408  mt        -63.1   -41.0  Favored     ?  11   8  0.46  11  0.50  molprobity  
 409   409  mttt      -67.2   -31.4  Favored     ?  13   9  0.34  11  0.41  molprobity  
 410   410  m-20      -70.2   -39.3  Favored     ?   4   8  0.44  11  0.35  molprobity  
 411   411  m-20      -62.9   -39.3  Favored     ?   4   8  0.37  11  0.30  molprobity  
 412   412  t80       -57.0   -48.5  Favored     ?   9  13  0.69  18  0.35  molprobity  
 413   413  m-20      -68.7   -37.8  Favored     ?   6   8  0.32  11  0.53  molprobity  
 414   414  pt-20     -70.7   -33.1  Favored     ?   6   9  0.50  12  0.64  molprobity  
 415   415  m         -64.5   -40.3  Favored     ?   7   7  0.24  10  0.25  molprobity  
 416   416  t         -62.7   -48.8  Favored     ?   9   7  0.48  10  0.99  molprobity  
 417   417  p80       -79.3   -26.6  Favored     ?   7  11  0.32  15  0.51  molprobity  
 418   418  tppt?     -62.3   -40.6  Favored     ?  13   9  0.42  11  0.27  molprobity  
 419   419  ttpp      -63.8   -40.5  Favored     ?  13   9  0.56  11  0.61  molprobity  
 420   420  m         -63.6   -37.5  Favored     ?   7   7  0.33  10  0.40  molprobity  
 421   421  tt0       -61.6   -46.2  Favored     ?   6   9  0.57  12  0.50  molprobity  
 422   422  t         -65.8   -33.0  Favored     ?   9   7  0.48  10  0.65  molprobity  
 423   423  t         -63.6   -45.0  Favored     ?   9   7  0.59  10  0.63  molprobity  
 424   424  mt        -60.9   -45.0  Favored     ?  11   8  0.29  11  0.25  molprobity  
 425   425  m         -65.1   -40.6  Favored     ?   7   7  0.36  10  0.46  molprobity  
 426   426  tp        -64.8   -45.9  Favored     ?  11   8  0.24  11  0.31  molprobity  
 427   427  t70       -69.0   -33.4  Favored     ?   4   8  0.28  11  0.37  molprobity  
 428   428  t80       -66.8   -41.4  Favored     ?   9  12  0.53  16  0.44  molprobity  
 429   429  t         -65.1   -40.3  Favored     ?   5   6  0.40   8  0.20  molprobity  
 430   430  mt        -58.4   -54.0  Favored     ?  11   8  0.34  11  0.32  molprobity  
 431   431  ttp85     -63.3   -40.5  Favored     ?  13  11  0.28  14  0.43  molprobity  
 432   432  t-20      -65.2   -51.0  Favored     ?   6   8  0.28  11  0.43  molprobity  
 433   433  tp        -71.7   -30.5  Favored     ?  11   8  0.28  11  0.72  molprobity  
 434   434  mm-40     -77.8   -37.1  Favored     ?   6   9  0.29  12  0.38  molprobity  
 435   435  mttt      -64.9   -39.4  Favored     ?  13   9  0.22  11  0.32  molprobity  
 436   436  m         -65.3   -42.1  Favored     ?   7   7  0.22  10  0.38  molprobity  
 437   437  t         -68.9   -41.3  Favored     ?   9   7  0.25  10  0.67  molprobity  
 438   438  mttt      -71.5   -27.5  Favored     ?  13   9  0.21  11  0.45  molprobity  
 439   439  t         -84.7   -40.1  Favored     ?   9   7  0.31  10  0.59  molprobity  
 440   440  t80       -68.5   -29.2  Favored     ?   9  13  0.23  18  0.40  molprobity  
 441   441  mm-40     -82.2     7.6  Favored     ?   6   9  0.21  12  0.66  molprobity  
 442   442  ?             ?       ?  ?           ?   2   4  0.27   4  0.52  molprobity  
 443   443  ?             ?       ?  ?           ?   2   4  0.17   5  0.19  molprobity  
 444   444  ?         -89.3    24.1  Favored     ?   2   5  0.24   7  0.27  molprobity  
 445   445  mm        -71.1   -44.1  Favored     ?  11   8  0.22  11  0.41  molprobity  
 446   446  t         -71.6   -30.9  Favored     ?   5   6  0.18   8  0.14  molprobity  
 447   447  t0        -62.6   -32.7  Favored     ?   4   8  0.20  11  0.54  molprobity  
 448   448  mt        -74.9   -51.0  Favored     ?  11   8  0.25  11  0.27  molprobity  
 449   449  t60       -71.2   -36.6  Favored     ?   7  11  0.24  15  0.26  molprobity  
 450   450  m         -63.8   -45.5  Favored     ?   7   7  0.22  10  0.36  molprobity  
 451   451  mttt      -66.2   -37.6  Favored     ?  13   9  0.27  11  0.42  molprobity  
 452   452  mp        -74.7   -28.7  Favored     ?  11   8  0.35  11  0.92  molprobity  
 453   453  tt        -66.8   -37.7  Favored     ?  11   8  0.38  11  0.92  molprobity  
 454   454  mmt-85    -60.2   -41.0  Favored     ?  13  11  0.31  14  0.53  molprobity  
 455   455  mt        -66.5   -36.4  Favored     ?  11   8  0.20  11  0.34  molprobity  
 456   456  m         -70.0   -35.2  Favored     ?   5   6  0.32   8  0.40  molprobity  
 457   457  p         -65.0   -40.5  Favored     ?   5   6  0.40   8  0.34  molprobity  
 458   458  t         -62.3   -44.5  Favored     ?   5   6  0.22   8  0.33  molprobity  
 459   459  tt0       -51.7   -43.1  Favored     ?   8   9  0.48  12  0.58  molprobity  
 460   460  ?         -63.5   -32.2  Favored     ?   3   4  0.11   5  0.50  molprobity  
 461   461  p         -73.6   -39.8  Favored     ?   7   7  0.41  10  0.50  molprobity  
 462   462  mm        -61.4   -38.6  Favored     ?  11   8  0.35  11  0.62  molprobity  
 463   463  tp10      -68.4   -41.5  Favored     ?   6   9  0.37  12  0.57  molprobity  
 464   464  t         -74.0   -26.2  Favored     ?   7   7  0.31  10  0.54  molprobity  
 465   465  m         -68.4   -37.4  Favored     ?   5   6  0.26   8  0.33  molprobity  
 466   466  mt        -68.1   -32.1  Favored     ?  11   8  0.31  11  0.46  molprobity  
 467   467  tt0       -66.2   -38.9  Favored     ?   8   9  0.24  12  0.28  molprobity  
 468   468  t70       -67.0   -37.5  Favored     ?   4   8  0.31  11  0.41  molprobity  
 469   469  mt        -67.4   -38.2  Favored     ?  11   8  0.29  11  0.68  molprobity  
 470   470  t70       -67.8   -31.4  Favored     ?   4   8  0.29  11  0.32  molprobity  
 471   471  t         -66.7   -30.1  Favored     ?   5   6  0.22   8  0.53  molprobity  
 472   472  mtm180    -80.9   -40.7  Favored     ?  13  11  0.32  14  0.44  molprobity  
 473   473  mt        -77.1    -3.3  Favored     ?  11   8  0.33  11  1.03  molprobity  
 474   474  m         -70.4   146.7  Favored     ?   5   6  0.28   9  0.26  molprobity  
 475   475  Cg_endo   -65.0   112.8  Favored     ?   7   8  0.23  11  0.26  molprobity  
 476   476  ?         109.2     7.2  Favored     ?   3   4  0.52   5  0.71  molprobity  
 477   477  ?         -95.0  -142.4  Favored     ?   3   4  0.22   5  0.39  molprobity  
 478   478  p         -95.0   -24.1  Favored     ?   5   6  0.37   8  0.48  molprobity  
 479   479  tp       -112.8    42.6  Allowed     ?  11   8  0.37  11  0.87  molprobity  
 480   480  ?        -101.8   151.3  Favored     ?   5   5  0.31   7  0.56  molprobity  
 481   481  p-10      -98.6    36.0  Allowed     ?   4   8  0.29  11  0.42  molprobity  
 482   482  ?         -74.8   -18.8  Favored     ?   5   5  0.26   7  0.39  molprobity  
 483   483  p-90      -74.0   -28.3  Favored     ?  10  16  0.51  23  0.20  molprobity  
 484   484  ?         -73.1   -13.1  Favored     ?   5   5  0.31   7  0.58  molprobity  
 485   485  m-70     -100.1    15.6  Favored     ?   7  11  0.25  15  0.19  molprobity  
 486   486  mt-30    -131.6     3.0  Favored     ?   8   9  0.22  12  0.52  molprobity  
 487   487  mt-10    -137.3   173.4  Favored     ?   6   9  0.68  12  0.71  molprobity  
 488   488  ?          72.8  -165.3  Favored     ?   3   4  0.74   5  0.82  molprobity  
 489   489  p        -115.7   145.0  Favored     ?   7   7  0.43  10  0.71  molprobity  
 490   490  m80      -110.6   159.0  Favored     ?   7  11  0.27  16  0.32  molprobity  
 491   491  Cg_exo    -70.2    -8.7  Favored     ?   7   8  0.50  11  0.53  molprobity  
 492   492  pttm      -84.8    -9.5  Favored     ?  13   9  0.29  11  0.41  molprobity  
 493   493  m-20      -81.6   -25.8  Favored     ?   4   8  0.26  11  0.63  molprobity  
 494   494  mtp85      62.6    48.9  Favored     ?  13  11  0.36  14  0.49  molprobity  
 495   495  m-20      -74.5   -35.0  Favored     ?   6   8  0.28  11  0.26  molprobity  
 496   496  t         -69.2   -35.4  Favored     ?   9   7  0.59  10  0.51  molprobity  
 497   497  mp0       -71.2   -33.0  Favored     ?   6   9  0.49  12  0.35  molprobity  
 498   498  mttt      -66.9   -34.6  Favored     ?  13   9  0.56  11  0.59  molprobity  
 499   499  mt        -71.0   -32.3  Favored     ?  11   8  0.36  11  0.59  molprobity  
 500   500  tp60      -71.8   -31.1  Favored     ?   8   9  0.51  12  0.42  molprobity  
 501   501  t         -65.8   -47.8  Favored     ?   9   7  0.82  10  0.50  molprobity  
 502   502  mt        -62.7   -35.2  Favored     ?  11   8  0.38  11  0.41  molprobity  
 503   503  tp        -67.5   -35.4  Favored     ?  11   8  0.45  11  0.97  molprobity  
 504   504  m-20      -69.6   -38.2  Favored     ?   6   8  0.31  11  0.30  molprobity  
 505   505  m         -62.4   -42.7  Favored     ?   5   6  0.63   8  0.36  molprobity  
 506   506  mtp       -67.0   -36.7  Favored     ?   9   8  0.62  10  0.74  molprobity  
 507   507  m         -68.9   -32.4  Favored     ?   7   7  0.27  10  0.52  molprobity  
 508   508  tp10      -67.2   -41.9  Favored     ?   6   9  0.51  12  0.40  molprobity  
 509   509  mt        -65.3   -35.8  Favored     ?  11   8  0.53  11  0.68  molprobity  
 510   510  t80       -63.2   -41.9  Favored     ?   9  13  0.72  18  0.37  molprobity  
 511   511  m-30      -67.3   -35.0  Favored     ?   9  13  0.79  18  0.41  molprobity  
 512   512  tp-100    -69.3   -36.0  Favored     ?   8   9  0.43  12  0.35  molprobity  
 513   513  m-30      -68.8   -38.8  Favored     ?   9  12  0.82  16  0.61  molprobity  
 514   514  ttpt      -68.3   -30.4  Favored     ?  13   9  0.33  11  0.50  molprobity  
 515   515  ttmt      -73.1   -36.5  Favored     ?  13   9  0.51  11  0.70  molprobity  
 516   516  m-20      -75.1   -14.3  Favored     ?   4   8  0.24  11  0.56  molprobity  
 517   517  tmmt?     -76.8   -27.6  Favored     ?  13   9  0.23  11  0.60  molprobity  
 518   518  ?         -73.7   -37.2  Favored     ?   5   5  0.23   7  0.21  molprobity  
 519   519  tt0       -76.5   129.4  Favored     ?   6   9  0.30  12  0.41  molprobity  
 520   520  mmp_?     -72.8   -36.7  Favored     ?  13  11  0.25  14  0.55  molprobity  
 521   521  ptm180   -144.6   159.7  Favored     ?  13  11  0.30  14  0.56  molprobity  
 522   522  mp       -119.9   170.3  Favored     ?  11   8  0.29  11  0.92  molprobity  
 523   523  ?         -80.7  -167.0  Allowed     ?   5   5  0.16   7  0.77  molprobity  
 524   524  t80       -74.4   -58.3  Favored     ?   9  13  0.53  18  0.22  molprobity  
 525   525  m-20      -64.2   -33.5  Favored     ?   6   8  0.31  11  0.28  molprobity  
 526   526  mm-40     -67.1   -36.7  Favored     ?   6   9  0.37  12  0.33  molprobity  
 527   527  tt0       -68.8   -36.5  Favored     ?   6   9  0.43  12  0.48  molprobity  
 528   528  mm100     -68.9   -41.4  Favored     ?   8   9  0.66  12  0.17  molprobity  
 529   529  mt        -63.6   -35.1  Favored     ?  11   8  0.45  11  0.54  molprobity  
 530   530  t60       -61.2   -41.2  Favored     ?   7  11  0.28  15  0.35  molprobity  
 531   531  mttt      -71.4   -38.7  Favored     ?  13   9  0.43  11  0.35  molprobity  
 532   532  m-85      -65.3   -38.3  Favored     ?   9  12  0.44  16  0.29  molprobity  
 533   533  m-20      -67.8   -33.9  Favored     ?   4   8  0.33  11  0.27  molprobity  
 534   534  tttt      -63.4   -37.7  Favored     ?  13   9  0.33  11  0.78  molprobity  
 535   535  pt20      -83.5   -25.3  Favored     ?   8   9  0.45  12  0.62  molprobity  
 536   536  ttmp?     -73.7   -29.5  Favored     ?  13   9  0.51  11  0.47  molprobity  
 537   537  tp        -58.2   -46.5  Favored     ?  11   8  0.49  11  0.66  molprobity  
 538   538  t80       -72.0   -27.1  Favored     ?   9  13  0.64  18  0.39  molprobity  
 539   539  t80       -65.0   -44.0  Favored     ?   9  13  0.52  18  0.34  molprobity  
 540   540  m-70      -63.8   -36.6  Favored     ?   7  11  0.31  15  0.32  molprobity  
 541   541  ?         -67.9   -40.9  Favored     ?   5   5  0.26   7  0.26  molprobity  
 542   542  m         -64.3   -40.5  Favored     ?   7   7  0.37  10  0.45  molprobity  
 543   543  tttt      -64.6   -43.3  Favored     ?  13   9  0.48  11  0.41  molprobity  
 544   544  ?         -71.4   -41.1  Favored     ?   5   5  0.17   7  0.62  molprobity  
 545   545  mmm       -77.7   -12.8  Favored     ?   9   8  0.41  10  0.61  molprobity  
 546   546  m         -78.4   -43.0  Favored     ?   7   7  0.31  10  0.47  molprobity  
 547   547  t60       -61.0   -37.8  Favored     ?   7  11  0.26  15  0.23  molprobity  
 548   548  t80       -64.8   -56.0  Favored     ?   9  12  0.60  16  0.36  molprobity  
 549   549  p         -78.5    -8.3  Favored     ?   7   7  0.34  10  0.96  molprobity  
 550   550  m-20     -116.5     5.9  Favored     ?   4   8  0.27  11  0.63  molprobity  
 551   551  tp10     -128.5   -34.7  Favored     ?   6   9  0.27  12  0.43  molprobity  
 552   552  m         -95.4   -46.1  Favored     ?   5   6  0.50   8  0.38  molprobity  
 553   553  t         -77.8   -37.1  Favored     ?   9   7  0.89  10  0.70  molprobity  
 554   554  tttt      -69.8   -44.5  Favored     ?  13   9  0.45  11  0.48  molprobity  
 555   555  mttt      -67.5   -33.5  Favored     ?  13   9  0.59  11  0.37  molprobity  
 556   556  t80       -62.9   -41.4  Favored     ?   9  13  0.88  18  0.54  molprobity  
 557   557  mt-10     -70.7   -30.9  Favored     ?   6   9  0.43  12  0.46  molprobity  
 558   558  ?         -64.6   -41.9  Favored     ?   5   5  0.32   7  0.20  molprobity  
 559   559  t80       -65.1   -41.5  Favored     ?   9  12  0.80  16  0.19  molprobity  
 560   560  tp        -62.5   -41.7  Favored     ?  11   8  0.55  11  0.85  molprobity  
 561   561  t-20      -68.6   -29.7  Favored     ?   6   8  0.26  11  0.62  molprobity  
 562   562  mmtt      -79.5   -33.4  Favored     ?  13   9  0.53  11  0.38  molprobity  
 563   563  m         -64.3   -32.3  Favored     ?   5   6  0.53   8  0.33  molprobity  
 564   564  tt0       -60.1   -47.7  Favored     ?   6   9  0.69  12  0.53  molprobity  
 565   565  pt-20     -75.8   -26.9  Favored     ?   6   9  0.46  12  0.64  molprobity  
 566   566  t90       -66.3   -38.5  Favored     ?  10  16  0.63  23  0.44  molprobity  
 567   567  mt        -67.5   -35.4  Favored     ?  11   8  0.44  11  0.66  molprobity  
 568   568  ttm105    -64.8   -43.9  Favored     ?  13  11  0.51  14  0.41  molprobity  
 569   569  mtpt      -64.6   -38.5  Favored     ?  13   9  0.41  11  0.27  molprobity  
 570   570  tmm?      -62.8   -43.8  Favored     ?   9   8  0.25  10  0.84  molprobity  
 571   571  mt        -65.8   -36.0  Favored     ?  11   8  0.43  11  0.50  molprobity  
 572   572  t60       -64.1   -47.2  Favored     ?   7  11  0.37  15  0.29  molprobity  
 573   573  tt        -65.0   -39.1  Favored     ?  11   8  0.38  11  0.97  molprobity  
 574   574  ttt180    -72.8   -22.8  Favored     ?  13  11  0.85  14  0.75  molprobity  
 575   575  tttt      -77.5   -40.8  Favored     ?  13   9  0.51  11  0.37  molprobity  
 576   576  mt-30     -63.2   -36.4  Favored     ?   8   9  0.58  12  0.40  molprobity  
 577   577  tp        -65.1   -36.2  Favored     ?  11   8  0.39  11  0.68  molprobity  
 578   578  tp        -67.8   -36.4  Favored     ?  11   8  0.38  11  0.45  molprobity  
 579   579  p         -63.2   -41.9  Favored     ?   5   6  0.38   8  0.31  molprobity  
 580   580  mt        -65.7   -37.6  Favored     ?  11   8  0.38  11  0.56  molprobity  
 581   581  m         -64.4   -41.1  Favored     ?   7   7  0.30  10  0.49  molprobity  
 582   582  m-20      -69.0   -33.9  Favored     ?   6   8  0.25  11  0.39  molprobity  
 583   583  mt-30     -67.1   -37.6  Favored     ?   8   9  0.37  12  0.40  molprobity  
 584   584  m         -65.9   -36.6  Favored     ?   5   6  0.42   8  0.46  molprobity  
 585   585  m-30      -66.7   -35.4  Favored     ?   9  12  0.33  16  0.36  molprobity  
 586   586  m-20      -65.5   -41.4  Favored     ?   4   8  0.34  11  0.32  molprobity  
 587   587  mt        -64.4   -37.8  Favored     ?  11   8  0.22  11  0.70  molprobity  
 588   588  tt0       -67.3   -38.3  Favored     ?   6   9  0.43  12  0.33  molprobity  
 589   589  mt-10     -64.7   -30.9  Favored     ?   6   9  0.27  12  0.50  molprobity  
 590   590  mt-10     -76.6   -41.6  Favored     ?   6   9  0.45  12  0.28  molprobity  
 591   591  t         -65.2   -31.0  Favored     ?   9   7  0.54  10  1.15  molprobity  
 592   592  p         -62.4   -48.4  Favored     ?   5   6  0.34   8  0.34  molprobity  
 593   593  tttt      -69.4   -38.7  Favored     ?  13   9  0.33  11  0.46  molprobity  
 594   594  m-30      -68.7   -32.2  Favored     ?   9  13  0.33  18  0.25  molprobity  
 595   595  tt0       -69.3   -37.3  Favored     ?   8   9  0.27  12  0.30  molprobity  
 596   596  tt0       -63.1   -44.7  Favored     ?   6   9  0.30  12  0.29  molprobity  
 597   597  t80       -68.0   -34.1  Favored     ?   9  13  0.31  18  0.29  molprobity  
 598   598  m         -63.5   -45.2  Favored     ?   7   7  0.12  10  0.42  molprobity  
 599   599  m-20      -68.9   -34.1  Favored     ?   6   8  0.23  11  0.28  molprobity  
 600   600  tm-20     -64.7   -40.2  Favored     ?   6   9  0.43  12  0.39  molprobity  
 601   601  tp        -72.1   -27.1  Favored     ?  11   8  0.19  11  0.49  molprobity  
 602   602  mm-40     -64.8   -45.3  Favored     ?   8   9  0.26  12  0.58  molprobity  
 603   603  tm-20     -73.1   -33.5  Favored     ?   6   9  0.29  12  0.57  molprobity  
 604   604  t         -81.1   -10.5  Favored     ?   7   7  0.19  10  0.76  molprobity  
 605   605  mt            ?       ?  ?           ?  11   7  0.15   8  0.56  molprobity  
 606   606  m-20          ?       ?  ?           ?   3   8  0.26  11  0.31  molprobity  
 607   607  mp        -75.0   147.2  Favored     ?  11   8  0.28  12  0.55  molprobity  
 608   608  Cg_endo   -73.4   135.9  Favored     ?   7   8  0.59  11  1.48  molprobity  
 609   609  mt-30    -111.2   150.6  Favored     ?   8   9  0.45  13  0.53  molprobity  
 610   610  Cg_endo   -69.3   156.3  Favored     ?   7   8  0.48  11  0.60  molprobity  
 611   611  mt        -70.2   169.8  Favored     ?  11   8  0.55  11  0.63  molprobity  
 612   612  ptt180   -153.6   157.9  Favored     ?  13  11  0.24  14  0.51  molprobity  
 613   613  p        -124.5   100.0  Favored     ?   5   6  0.29   8  0.66  molprobity  
 614   614  t70           ?       ?  ?           ?   4   7  0.18   8  0.28  molprobity  
 615   615  ptp           ?       ?  ?           ?  11   8  0.32  10  0.40  molprobity  
 616   616  mt-30    -130.4   179.0  Favored     ?   8   9  0.31  12  0.44  molprobity  
 617   617  p        -159.9   162.6  Favored     ?   5   6  0.28   8  0.64  molprobity  
 618   618  p        -125.7  -166.9  Allowed     ?   7   7  0.25  10  0.71  molprobity  
 619   619  p         -70.8   -20.7  Favored     ?   5   6  0.16   8  0.39  molprobity  
 620   620  m-20     -137.9     1.1  Favored     ?   6   8  0.32  11  0.75  molprobity  
 621   621  m80      -140.3   156.7  Favored     ?   7  11  0.25  15  0.34  molprobity  
 622   622  pp       -150.2   152.0  Favored     ?  11   8  0.30  11  1.02  molprobity  
 623   623  p90      -153.9   142.6  Favored     ?  10  16  0.50  23  0.26  molprobity  
 624   624  mm?       -83.7   145.1  Favored     ?  11   8  0.21  11  1.14  molprobity  
 625   625  mp        -79.5    -8.2  Favored     ?  11   8  0.24  11  0.59  molprobity  
 626   626  p         -92.6    48.0  Allowed     ?   5   6  0.16   8  0.55  molprobity  
 627   627  m-20     -140.9    34.4  Allowed     ?   4   8  0.24  11  0.43  molprobity  
 628   628  mt        -74.6   108.0  Favored     ?  11   8  0.40  11  0.46  molprobity  
 629   629  mt        -77.1   -23.6  Favored     ?  11   8  0.28  11  0.95  molprobity  
 630   630  ?        -170.4   130.9  Favored     ?   3   4  0.31   5  0.58  molprobity  
 631   631  mm100     -89.4   163.9  Favored     ?   8   9  0.32  12  0.46  molprobity  
 632   632  ?        -179.8   160.2  Favored     ?   3   4  0.42   5  0.84  molprobity  
 633   633  ?         -79.0    -6.5  Favored     ?   5   5  0.29   7  0.46  molprobity  
 634   634  m        -107.5   -39.5  Favored     ?   7   7  0.23  10  0.52  molprobity  
 635   635  ?        -155.8   177.5  Favored     ?   5   5  0.28   7  0.60  molprobity  
 636   636  m-20     -130.4   132.6  Favored     ?   6   8  0.24  11  0.35  molprobity  
 637   637  t        -106.4   116.1  Favored     ?   9   7  0.62  10  0.68  molprobity  
 638   638  m-85     -109.5   162.2  Favored     ?   9  12  0.68  16  0.45  molprobity  
 639   639  ttp180   -100.3   113.4  Favored     ?  13  11  0.51  14  0.68  molprobity  
 640   640  ?        -127.4  -168.9  Favored     ?   3   4  0.60   5  0.64  molprobity  
 641   641  ptp180   -149.4   151.1  Favored     ?  13  11  0.48  14  0.63  molprobity  
 642   642  t-80      -68.3   140.6  Favored     ?   7  11  0.24  15  0.35  molprobity  
 643   643  ttmt      -77.1   -28.2  Favored     ?  13   9  0.32  11  0.55  molprobity  
 644   644  mtpp     -102.3   -24.9  Favored     ?  13   9  0.30  11  0.55  molprobity  
 645   645  p        -114.6    -9.4  Favored     ?   7   7  0.20  10  0.84  molprobity  
 646   646  ?          76.8     4.0  Favored     ?   3   4  0.43   5  0.80  molprobity  
 647   647  m-20      -74.8   143.5  Favored     ?   4   8  0.31  11  0.36  molprobity  
 648   648  mp        -82.6   149.9  Favored     ?  11   8  0.24  11  0.77  molprobity  
 649   649  m-85     -147.3   167.2  Favored     ?   9  12  0.77  16  0.44  molprobity  
 650   650  ?        -107.0   127.1  Favored     ?   5   5  0.35   7  0.62  molprobity  
 651   651  mp       -110.7   123.8  Favored     ?  11   8  0.55  11  0.64  molprobity  
 652   652  tttp     -105.3   107.2  Favored     ?  13   9  0.36  11  0.61  molprobity  
 653   653  t         -98.1   123.0  Favored     ?   9   7  0.55  10  0.56  molprobity  
 654   654  m-85      -83.0   172.7  Favored     ?   9  12  0.56  16  0.37  molprobity  
 655   655  p30      -148.3    93.4  Favored     ?   6   8  0.31  11  0.62  molprobity  
 656   656  t-20          ?       ?  ?           ?   6   7  0.40   8  0.35  molprobity  
 657   657  p             ?       ?  ?           ?   8   7  0.26  10  0.50  molprobity  
 658   658  m-20      -78.8    -6.0  Favored     ?   4   8  0.23  11  0.42  molprobity  
 659   659  t         -63.0   -50.4  Favored     ?   9   7  0.28  10  0.34  molprobity  
 660   660  tt0       -72.5   -25.7  Favored     ?   8   9  0.32  12  0.53  molprobity  
 661   661  mmm       -67.3   -40.3  Favored     ?   9   8  0.30  10  0.41  molprobity  
 662   662  mtt180    -73.0   -29.9  Favored     ?  13  11  0.27  14  0.35  molprobity  
 663   663  mt-10     -60.2   -47.9  Favored     ?   6   9  0.26  12  0.38  molprobity  
 664   664  m-30      -71.2   -26.3  Favored     ?   9  12  0.37  16  0.34  molprobity  
 665   665  tp10      -71.4   -36.9  Favored     ?   6   9  0.31  12  0.43  molprobity  
 666   666  t         -68.4   -42.6  Favored     ?   9   7  0.36  10  0.54  molprobity  
 667   667  mp        -69.0   -18.3  Favored     ?  11   8  0.18  11  0.84  molprobity  
 668   668  tttt      -70.5   -30.0  Favored     ?  13   9  0.22  11  0.47  molprobity  
 669   669  mmtt      -82.2    -5.9  Favored     ?  13   9  0.25  11  0.53  molprobity  
 670   670  mt        -70.3   151.4  Favored     ?  11   8  0.33  11  0.73  molprobity  
 671   671  t-20     -154.0   108.8  Favored     ?   6   8  0.28  11  0.59  molprobity  
 672   672  t-80     -157.1   159.6  Favored     ?   7  11  0.31  15  0.60  molprobity  
 673   673  ptmt      -87.0     5.8  Favored     ?  13   9  0.52  11  0.58  molprobity  
 674   674  m120     -124.6    22.8  Favored     ?   6   8  0.42  11  0.36  molprobity  
 675   675  mm       -126.3   131.4  Favored     ?  11   8  0.37  11  0.57  molprobity  
 676   676  t         -71.7   125.6  Favored     ?   9   7  1.04  10  0.66  molprobity  
 677   677  mttt      -74.2   134.3  Favored     ?  13   9  0.43  11  0.41  molprobity  
 678   678  tp       -101.0   112.5  Favored     ?  11   8  0.24  11  0.66  molprobity  
 679   679  m-85      -80.4   -59.9  Favored     ?   9  12  0.55  16  0.34  molprobity  
 680   680  ?        -154.6   156.0  Favored     ?   5   5  0.31   7  0.62  molprobity  
 681   681  tt       -112.4   123.8  Favored     ?  11   8  0.24  11  0.61  molprobity  
 682   682  mt-10    -131.1  -168.4  Allowed     ?   6   9  0.32  12  0.21  molprobity  
 683   683  tt0      -134.7   134.2  Favored     ?   6   9  0.35  12  0.51  molprobity  
 684   684  tp10      -59.7   146.3  Favored     ?   6   9  0.62  12  0.86  molprobity  
 685   685  p         -86.9   -35.9  Favored     ?   7   7  0.19  10  0.71  molprobity  
 686   686  m         -74.2   -62.6  Allowed     ?   7   7  0.30  10  0.55  molprobity  
 687   687  m         -99.6   159.8  Favored     ?   7   7  0.32  10  0.80  molprobity  
 688   688  mmp_?     -91.0    50.9  Allowed     ?  13  11  0.25  14  0.66  molprobity  
 689   689  m-70      -88.8   178.7  Favored     ?   7  11  0.25  15  0.36  molprobity  
 690   690  mptt     -108.9   145.2  Favored     ?  13   9  0.27  11  0.49  molprobity  
 691   691  m        -128.7   154.0  Favored     ?   9   7  0.71  10  0.59  molprobity  
 692   692  mt       -120.7   126.8  Favored     ?  11   8  0.40  11  0.74  molprobity  
 693   693  mp       -100.4   118.6  Favored     ?  11   8  0.49  11  0.53  molprobity  
 694   694  ptp      -135.1   168.5  Favored     ?   9   8  0.46  10  0.59  molprobity  
 695   695  pt-20     -76.1   150.4  Favored     ?   6   9  0.55  12  0.68  molprobity  
 696   696  t80       -92.9   114.7  Favored     ?   9  12  0.56  16  0.47  molprobity  
 697   697  m         -99.0   103.6  Favored     ?   5   6  0.34   9  0.53  molprobity  
 698   698  Cg_exo    -75.9   -20.2  Favored     ?   7   8  0.42  11  0.54  molprobity  
 699   699  m         -90.6     6.7  Favored     ?   5   6  0.46   8  0.64  molprobity  
 700   700  ?          77.5  -177.6  Favored     ?   3   4  0.51   5  0.74  molprobity  
 701   701  p         -90.9  -166.8  Allowed     ?   5   6  0.41   8  0.65  molprobity  
 702   702  tp        -78.7   -19.3  Favored     ?  11   8  0.37  11  0.70  molprobity  
 703   703  m-30      -58.6   -45.1  Favored     ?   9  13  0.62  18  0.37  molprobity  
 704   704  m         -67.3   -26.3  Favored     ?   7   7  0.19  10  0.56  molprobity  
 705   705  t         -74.2   -39.5  Favored     ?   9   7  0.78  10  0.52  molprobity  
 706   706  mt        -86.4    -4.5  Favored     ?  11   8  0.37  11  0.74  molprobity  
 707   707  mm-40     -92.3    -1.3  Favored     ?   6   9  0.67  12  0.52  molprobity  
 708   708  mt-10     -72.7   143.8  Favored     ?   6   9  0.52  13  0.34  molprobity  
 709   709  Cg_exo    -71.2   -19.2  Favored     ?   7   8  0.45  11  0.48  molprobity  
 710   710  p         -75.9   -19.8  Favored     ?   5   6  0.34   8  0.26  molprobity  
 711   711  m-20     -102.4    24.1  Favored     ?   6   8  0.37  11  0.35  molprobity  
 712   712  ?         -75.1   -16.3  Favored     ?   5   5  0.29   7  0.48  molprobity  
 713   713  m-85     -124.1    41.8  Favored     ?   9  13  1.30  18  0.48  molprobity  
 714   714  ?          96.0   148.4  Favored     ?   3   4  0.47   5  0.60  molprobity  
 715   715  mt        -66.5   158.7  Favored     ?  11   8  0.47  12  0.81  molprobity  
 716   716  Cg_exo    -66.6   163.2  Favored     ?   7   8  0.48  11  0.39  molprobity  
 717   717  tt0       -70.7   -34.3  Favored     ?   6   9  0.94  12  0.61  molprobity  
 718   718  p         -68.8   -44.2  Favored     ?   5   6  0.36   8  0.38  molprobity  
 719   719  tp10      -66.7   -33.6  Favored     ?   6   9  0.62  12  0.56  molprobity  
 720   720  t80       -65.3   -41.1  Favored     ?   9  12  0.72  16  0.30  molprobity  
 721   721  mt        -68.9   -31.7  Favored     ?  11   8  0.37  11  0.63  molprobity  
 722   722  mt        -64.4   -44.0  Favored     ?  11   8  0.58  11  0.48  molprobity  
 723   723  t         -61.7   -44.7  Favored     ?   9   7  0.88  10  0.48  molprobity  
 724   724  tp        -60.7   -47.2  Favored     ?  11   8  0.47  11  0.83  molprobity  
 725   725  ttp180    -62.6   -45.1  Favored     ?  13  11  0.51  14  0.58  molprobity  
 726   726  m-20      -75.9   -34.7  Favored     ?   4   8  0.41  11  0.55  molprobity  
 727   727  t         -68.1   -42.1  Favored     ?   9   7  0.85  10  0.72  molprobity  
 728   728  t         -67.3   -34.8  Favored     ?   9   7  0.72  10  0.98  molprobity  
 729   729  ?         -67.0   -39.3  Favored     ?   3   4  0.30   5  0.63  molprobity  
 730   730  ?         -66.8   -39.4  Favored     ?   3   4  0.20   5  0.09  molprobity  
 731   731  mmt       -58.7   -46.1  Favored     ?   9   8  0.48  10  0.92  molprobity  
 732   732  t30       -65.3   -43.3  Favored     ?   6   8  0.28  11  0.53  molprobity  
 733   733  t60       -72.2   -27.1  Favored     ?   7  11  0.30  15  0.49  molprobity  
 734   734  mt        -74.7   -36.0  Favored     ?  11   8  0.34  11  0.63  molprobity  
 735   735  ttt-85    -75.4   -32.1  Favored     ?  13  11  0.41  14  0.49  molprobity  
 736   736  tt0       -68.9   -31.7  Favored     ?   6   9  0.35  12  0.44  molprobity  
 737   737  m120      -83.9   -32.1  Favored     ?   6   8  0.23  11  0.56  molprobity  
 738   738  ?         115.1    24.4  Favored     ?   3   4  0.34   5  0.30  molprobity  
 739   739  mp        -88.8   120.9  Favored     ?  11   8  0.34  11  0.47  molprobity  
 740   740  t         -84.4   114.8  Favored     ?   9   7  0.55  10  0.54  molprobity  
 741   741  p-80     -117.3  -179.2  Favored     ?   7  11  0.27  15  0.39  molprobity  
 742   742  mtt180    -79.8  -166.0  Allowed     ?  13  11  0.61  14  0.65  molprobity  
 743   743  m-20      -97.7   115.8  Favored     ?   6   8  0.27  11  0.60  molprobity  
 744   744  pp        -80.0   142.9  Favored     ?  11   8  0.47  11  0.78  molprobity  
 745   745  mtmt     -129.5   172.0  Favored     ?  13   9  0.34  12  0.86  molprobity  
 746   746  Cg_exo    -65.9    -6.1  Favored     ?   7   8  0.61  11  1.05  molprobity  
 747   747  ?         -88.4   -11.2  Favored     ?   3   4  0.61   5  0.42  molprobity  
 748   748  m-20      -95.6    11.0  Favored     ?   6   8  0.44  11  0.47  molprobity  
 749   749  mt       -121.5   102.2  Favored     ?  11   8  0.65  11  0.72  molprobity  
 750   750  mmm       -86.2   160.6  Favored     ?   9   8  0.45  10  0.57  molprobity  
 751   751  ttt-85   -122.9   138.6  Favored     ?  13  11  0.55  14  0.39  molprobity  
 752   752  p        -139.4   153.9  Favored     ?   9   7  0.56  10  0.62  molprobity  
 753   753  mm        -88.9   116.2  Favored     ?  11   8  0.42  11  0.47  molprobity  
 754   754  ?         -70.3   179.7  Favored     ?   3   4  0.43   5  0.72  molprobity  
 755   755  pt-20     -75.0     0.9  Favored     ?   6   9  0.33  12  0.60  molprobity  
 756   756  p-10     -135.8    28.8  Favored     ?   4   8  0.24  11  0.66  molprobity  
 757   757  ?          91.3   -34.0  Favored     ?   3   4  0.53   5  0.48  molprobity  
 758   758  mt-30     -72.3   152.7  Favored     ?   8   9  0.50  12  0.39  molprobity  
 759   759  m         -76.7   154.8  Favored     ?   5   6  0.45   8  0.51  molprobity  
 760   760  t        -131.4   123.3  Favored     ?   9   7  0.93  10  0.74  molprobity  
 761   761  m-85     -100.7   133.5  Favored     ?   9  13  1.16  18  0.48  molprobity  
 762   762  mttt     -125.7   157.8  Favored     ?  13   9  0.62  11  0.43  molprobity  
 763   763  mt       -106.9   136.0  Favored     ?  11   8  0.56  11  0.96  molprobity  
 764   764  t        -141.9   165.5  Favored     ?   7   7  0.35  10  0.91  molprobity  
 765   765  t0         54.8    50.9  Favored     ?   4   8  0.36  11  0.53  molprobity  
 766   766  p90      -103.7   137.3  Favored     ?   9  12  0.44  16  0.40  molprobity  
 767   767  ?             ?       ?  ?           ?   3   3  0.35   2  0.41  molprobity  
 768   768  ?             ?       ?  ?           ?   2   4  0.20   5  1.81  molprobity  
 769   769  t          58.6     2.9  Allowed     ?   7   7  0.35  10  1.00  molprobity  
 770   770  mm-40    -124.7    -1.4  Favored     ?   6   9  0.36  12  0.42  molprobity  
 771   771  mp0       -83.7   -14.0  Favored     ?   6   9  0.34  12  0.36  molprobity  
 772   772  m-85      -90.9     5.8  Favored     ?   9  13  1.17  18  0.42  molprobity  
 773   773  mp       -103.9   158.8  Favored     ?  11   8  0.31  11  0.74  molprobity  
 774   774  t60       -69.4   139.5  Favored     ?   7  11  0.26  16  0.48  molprobity  
 775   775  Cg_endo   -80.3    17.7  Allowed     ?   7   8  0.32  11  0.63  molprobity  
 776   776  m-20          ?       ?  ?           ?   4   7  0.16   8  0.32  molprobity  
 777   777  ?             ?       ?  ?           ?   4   5  0.17   7  0.33  molprobity  
 778   778  m         -73.0   129.1  Favored     ?   7   7  0.21  10  0.49  molprobity  
 779   779  t         -74.7   123.2  Favored     ?   9   7  0.65  10  0.44  molprobity  
 780   780  t0        -86.6   146.8  Favored     ?   4   8  0.31  11  0.49  molprobity  
 781   781  mt       -125.5    23.1  Favored     ?  11   8  0.35  11  0.50  molprobity  
 782   782  t-105     -72.5   -42.9  Favored     ?  10  16  0.61  23  0.17  molprobity  
 783   783  p         -69.5   -33.4  Favored     ?   5   6  0.46   8  0.39  molprobity  
 784   784  mt        -66.6   -37.0  Favored     ?  11   8  0.65  11  0.75  molprobity  
 785   785  ?         -68.8   -40.8  Favored     ?   3   4  0.21   5  0.38  molprobity  
 786   786  t         -71.3   -33.0  Favored     ?   9   7  0.95  10  0.73  molprobity  
 787   787  m         -62.0   -43.4  Favored     ?   7   7  0.32  10  0.54  molprobity  
 788   788  m-30      -75.4   -31.8  Favored     ?   9  12  0.71  16  0.43  molprobity  
 789   789  t80       -68.9   -37.5  Favored     ?   9  13  1.09  18  0.27  molprobity  
 790   790  t-160     -68.5   -33.4  Favored     ?   7  11  0.30  15  0.44  molprobity  
 791   791  ?         -75.0   -31.7  Favored     ?   5   5  0.26   7  0.32  molprobity  
 792   792  ?         -78.6   -39.6  Favored     ?   5   5  0.18   7  0.40  molprobity  
 793   793  p        -111.4   -24.1  Favored     ?   7   7  0.36  10  1.07  molprobity  
 794   794  ?          95.7    -3.5  Favored     ?   3   4  0.53   5  0.62  molprobity  
 795   795  m        -134.2   156.9  Favored     ?   5   6  0.36   8  0.51  molprobity  
 796   796  mt        -70.0   149.0  Favored     ?  11   8  0.46  12  0.71  molprobity  
 797   797  Cg_endo   -71.3   -42.4  Allowed     ?   7   8  0.65  11  0.43  molprobity  
 798   798  m-85     -112.3   111.3  Favored     ?   9  12  0.84  16  0.42  molprobity  
 799   799  mtm180   -123.1   113.0  Favored     ?  13  11  0.58  15  0.56  molprobity  
 800   800  Cg_exo    -71.9   166.2  Favored     ?   7   8  0.37  11  0.49  molprobity  
 801   801  t80       -82.7   135.6  Favored     ?   9  12  0.49  16  0.53  molprobity  
 802   802  tt0           ?       ?  ?           ?   6   8  0.32   9  0.40  molprobity  
 803   803  mttt          ?       ?  ?           ?  12   9  0.26  11  0.34  molprobity  
 804   804  pm0      -129.8   -30.7  Favored     ?   6   9  0.43  12  0.56  molprobity  
 805   805  t         -71.9   -32.3  Favored     ?   9   7  0.35  10  0.52  molprobity  
 806   806  tpt       -63.5   -42.9  Favored     ?   9   8  0.41  10  0.69  molprobity  
 807   807  t80       -68.0   -39.5  Favored     ?   9  13  0.45  18  0.43  molprobity  
 808   808  mttt      -70.4   -29.1  Favored     ?  13   9  0.31  11  0.36  molprobity  
 809   809  mt        -72.5   -54.2  Favored     ?  11   8  0.27  11  0.30  molprobity  
 810   810  mt        -70.4   -26.4  Favored     ?  11   8  0.36  11  0.85  molprobity  
 811   811  m         -69.8   -43.4  Favored     ?   7   7  0.17  10  0.65  molprobity  
 812   812  ?         -91.1    36.4  Favored     ?   3   4  0.35   5  0.17  molprobity  
 813   813  ttpp      -86.8   133.7  Favored     ?  13   9  0.36  12  0.46  molprobity  
 814   814  Cg_endo   -71.7   177.1  Favored     ?   7   8  0.29  11  0.22  molprobity  
 815   815  m         -79.0   141.9  Favored     ?   5   6  0.25   8  0.23  molprobity  
 816   816  ?          83.7   -13.7  Favored     ?   3   4  0.62   5  0.68  molprobity  
 817   817  ?         -75.6   134.3  Favored     ?   5   5  0.23   7  0.25  molprobity  
 818   818  pt       -113.0    -4.6  Favored     ?  11   8  0.54  11  0.62  molprobity  
 819   819  p        -153.3   154.5  Favored     ?   5   6  0.37   8  0.60  molprobity  
 820   820  ?        -146.6   124.1  Allowed     ?   3   4  0.52   5  0.52  molprobity  
 821   821  t        -112.2   130.9  Favored     ?   9   7  0.46  10  0.47  molprobity  
 822   822  tt0      -113.3   119.3  Favored     ?   8   9  0.36  12  0.43  molprobity  
 823   823  mttt     -105.2    -7.7  Favored     ?  13   9  0.30  11  0.58  molprobity  
 824   824  ?        -124.0   178.7  Favored     ?   5   5  0.35   7  0.51  molprobity  
 825   825  mm-40     -83.6   115.7  Favored     ?   6   9  0.43  12  0.67  molprobity  
 826   826  m-20       60.5    23.6  Favored     ?   6   8  0.18  11  0.61  molprobity  
 827   827  ?         -81.4  -174.7  Favored     ?   3   4  0.64   6  0.53  molprobity  
 828   828  Cg_endo   -72.7   162.3  Favored     ?   7   8  0.25  11  0.41  molprobity  
 829   829  mp       -105.8   126.5  Favored     ?  11   8  0.39  11  0.61  molprobity  
 830   830  m-20      -76.8   111.4  Favored     ?   4   8  0.35  11  0.34  molprobity  
 831   831  m95       -93.0   143.8  Favored     ?  10  16  0.64  23  0.28  molprobity  
 832   832  t        -133.2   153.8  Favored     ?   5   6  0.47   8  0.52  molprobity  
 833   833  ?        -125.7     4.9  Favored     ?   3   4  0.49   5  0.37  molprobity  
 834   834  m-20     -124.1   160.3  Favored     ?   4   8  0.31  11  0.49  molprobity  
 835   835  mmt       -63.6   150.1  Favored     ?   9   8  0.53  11  0.66  molprobity  
 836   836  Cg_endo   -70.4   171.2  Favored     ?   7   8  0.48  11  0.43  molprobity  
 837   837  t         -73.8   -26.2  Favored     ?   9   7  0.43  10  0.62  molprobity  
 838   838  p         -89.8    26.1  Allowed     ?   5   6  0.39   8  0.40  molprobity  
 839   839  t         -90.3   125.9  Favored     ?   5   6  0.94   8  0.36  molprobity  
 840   840  p         -76.8    -7.5  Favored     ?   5   6  0.33   8  0.60  molprobity  
 841   841  mt        -74.6   140.4  Favored     ?  11   8  0.44  11  0.89  molprobity  
 842   842  p         -66.7   163.8  Favored     ?   5   6  0.44   8  0.49  molprobity  
 843   843  tpt180    -70.6   -35.5  Favored     ?  13  11  0.41  14  0.40  molprobity  
 844   844  ?         -65.3   -23.3  Favored     ?   3   4  0.35   5  0.32  molprobity  
 845   845  tp        -89.8   -33.6  Favored     ?  11   8  0.38  11  0.53  molprobity  
 846   846  mt-30     -65.2   -34.7  Favored     ?   8   9  0.57  12  0.46  molprobity  
 847   847  t         -65.6   -33.7  Favored     ?   9   7  0.62  10  0.80  molprobity  
 848   848  mt        -81.4   -23.1  Favored     ?  11   8  0.37  11  0.81  molprobity  
 849   849  tp        -98.1   -27.7  Favored     ?  11   8  0.33  11  0.92  molprobity  
 850   850  m         -65.1   -37.0  Favored     ?   7   7  0.42  11  1.08  molprobity  
 851   851  Cg_exo    -66.4   -30.7  Favored     ?   7   8  0.69  11  0.72  molprobity  
 852   852  t         -65.3   -50.8  Favored     ?   9   7  0.95  10  0.43  molprobity  
 853   853  mt        -70.2   -22.8  Favored     ?  11   8  0.44  11  0.65  molprobity  
 854   854  ?         -76.5   -23.9  Favored     ?   5   5  0.35   7  0.34  molprobity  
 855   855  m-20     -101.0    -5.1  Favored     ?   6   8  0.29  11  0.78  molprobity  
 856   856  pt       -110.0   -14.5  Favored     ?  11   8  0.55  11  0.69  molprobity  
 857   857  mt        -93.6    31.0  Allowed     ?  11   8  0.46  11  0.45  molprobity  
 858   858  tp10      -75.7   141.4  Favored     ?   6   9  0.28  12  0.43  molprobity  
 859   859  ?         -73.8   -20.6  Favored     ?   5   5  0.28   7  0.47  molprobity  
 860   860  t0       -112.2   126.1  Favored     ?   4   8  0.19  11  0.60  molprobity  
 861   861  mt-30     -71.9   -12.1  Favored     ?   8   9  0.29  12  0.56  molprobity  
 862   862  tp10      -71.7   -32.3  Favored     ?   6   9  0.35  12  0.44  molprobity  
 863   863  mttt      -97.8     3.2  Favored     ?  13   9  0.27  11  0.58  molprobity  
 864   864  m         -75.9   177.0  Favored     ?   5   6  0.41   8  0.55  molprobity  
 865   865  m0        -85.7   -38.3  Favored     ?  10  16  0.59  23  0.56  molprobity  
 866   866  ?          82.0  -169.8  Favored     ?   3   4  0.50   5  1.21  molprobity  
 867   867  t80       -96.9   -29.6  Favored     ?   9  12  0.70  16  0.69  molprobity  
 868   868  m-20      -73.8   -41.5  Favored     ?   4   8  0.33  11  0.31  molprobity  
 869   869  tt0       -67.3   -36.4  Favored     ?   8   9  0.40  12  0.46  molprobity  
 870   870  t80       -65.0   -41.8  Favored     ?   9  12  0.51  16  0.26  molprobity  
 871   871  t80       -67.6   -39.2  Favored     ?   9  12  0.57  16  0.23  molprobity  
 872   872  ?         -67.0   -38.9  Favored     ?   5   5  0.23   7  0.50  molprobity  
 873   873  tp10      -75.0   -37.2  Favored     ?   6   9  0.35  12  0.54  molprobity  
 874   874  p         -71.6   -29.0  Favored     ?   7   7  0.36  10  0.72  molprobity  
 875   875  m         -72.0   -28.0  Favored     ?   5   6  0.41   8  0.37  molprobity  
 876   876  t70       -69.0   -30.0  Favored     ?   4   8  0.31  11  0.38  molprobity  
 877   877  mt        -73.1   -42.9  Favored     ?  11   8  0.38  11  0.54  molprobity  
 878   878  mt        -76.6   -20.2  Favored     ?  11   8  0.43  11  0.97  molprobity  
 879   879  m170      -91.5    11.6  Favored     ?   7  11  0.28  15  0.34  molprobity  
 880   880  mmt85     -84.3   149.3  Favored     ?  13  11  0.66  14  0.61  molprobity  
 881   881  ptp       -99.2   164.4  Favored     ?   9   8  0.36  10  0.65  molprobity  
 882   882  t        -114.9   134.6  Favored     ?   9   7  0.77  10  0.49  molprobity  
 883   883  mt       -123.2   126.3  Favored     ?  11   8  0.61  11  0.58  molprobity  
 884   884  m-70      -93.2   124.2  Favored     1   7  11  0.32  15  0.24  molprobity  
 885   885  t        -129.1   125.2  Favored     ?   9   7  1.16  10  0.66  molprobity  
 886   886  t80      -109.5   106.5  Favored     ?   9  12  0.67  16  0.23  molprobity  
 887   887  t         -71.9   121.2  Favored     ?   5   6  0.42   8  0.51  molprobity  
 888   888  tp        -85.5   -37.6  Favored     ?  11   8  0.46  11  0.73  molprobity  
 889   889  mt-30     -75.4   -19.7  Favored     ?   8   9  0.69  12  0.41  molprobity  
 890   890  mt-30    -103.8   -13.1  Favored     ?   8   9  0.67  12  0.64  molprobity  
 891   891  ttt        56.3    55.0  Favored     ?   9   8  0.32  10  0.90  molprobity  
 892   892  p        -139.1   135.0  Favored     ?   7   7  0.30  10  0.74  molprobity  
 893   893  ?         -93.8   148.2  Favored     ?   5   5  0.28   7  0.54  molprobity  
 894   894  m-70     -137.9   150.7  Favored     ?   7  11  0.36  15  0.49  molprobity  
 895   895  mttt     -119.4   104.2  Favored     ?  13   9  0.52  11  0.52  molprobity  
 896   896  mp        -85.2   123.7  Favored     ?  11   8  0.59  11  0.57  molprobity  
 897   897  m-30      -98.0   121.5  Favored     ?   9  13  1.28  18  0.75  molprobity  
 898   898  tt       -138.3   148.5  Favored     ?  11   8  0.41  11  0.65  molprobity  
 899   899  m-70      -73.7   164.2  Favored     ?   7  11  0.25  15  0.45  molprobity  
 900   900  m         -74.9   -10.4  Favored     ?   5   6  0.28   8  0.44  molprobity  
 901   901  p90      -118.9    14.9  Favored     ?   9  13  0.54  18  0.51  molprobity  
 902   902  m120      -87.0   153.1  Favored     ?   6   8  0.50  11  0.61  molprobity  
 903   903  p         -82.7  -175.8  Favored     ?   7   7  0.36  10  0.70  molprobity  
 904   904  ?         -76.9   -19.0  Favored     ?   5   5  0.26   7  0.40  molprobity  
 905   905  m         -66.1   -40.6  Favored     ?   7   7  0.30  10  0.51  molprobity  
 906   906  mt        -71.2   -28.7  Favored     ?  11   8  0.52  11  0.89  molprobity  
 907   907  t80       -66.7   -41.6  Favored     ?   9  12  0.69  16  0.31  molprobity  
 908   908  m-70      -67.4   -34.5  Favored     ?   7  11  0.30  15  0.30  molprobity  
 909   909  tt0       -68.5   -36.6  Favored     ?   6   9  0.39  12  0.45  molprobity  
 910   910  mt        -71.4   -31.5  Favored     ?  11   8  0.28  11  0.52  molprobity  
 911   911  t         -70.4   -34.1  Favored     ?   9   7  0.95  10  0.83  molprobity  
 912   912  t80       -64.8   -37.7  Favored     ?   9  13  0.93  18  0.41  molprobity  
 913   913  mttt      -68.2   -18.1  Favored     ?  13   9  0.40  11  0.57  molprobity  
 914   914  mt-30    -112.6   -33.0  Favored     ?   8   9  0.50  12  0.62  molprobity  
 915   915  p        -103.0    -3.3  Favored     ?   7   7  0.40  10  0.89  molprobity  
 916   916  mmtm       57.8    37.7  Favored     ?  13   9  0.39  11  0.40  molprobity  
 917   917  mt       -113.7   123.5  Favored     ?  11   8  0.55  11  0.73  molprobity  
 918   918  mp        -65.9   146.8  Favored     ?  11   8  0.29  11  0.96  molprobity  
 919   919  m         -59.5   -22.3  Favored     ?   5   6  0.30   8  0.63  molprobity  
 920   920  m         -90.3    13.5  Favored     ?   5   6  0.22   8  0.38  molprobity  
 921   921  m-20     -130.2    -7.9  Favored     ?   6   8  0.40  11  0.57  molprobity  
 922   922  mt-30     -74.4   114.2  Favored     ?   8   9  0.58  12  0.36  molprobity  
 923   923  mt-10    -108.9   121.0  Favored     ?   6   9  0.64  12  0.50  molprobity  
 924   924  mt       -101.2   140.2  Favored     ?  11   8  0.55  11  0.44  molprobity  
 925   925  mt       -129.4   131.4  Favored     ?  11   8  0.47  11  0.59  molprobity  
 926   926  t80      -142.6   109.2  Favored     ?   9  13  0.84  18  0.50  molprobity  
 927   927  mt-10      55.8    65.8  Allowed     ?   6   9  0.54  12  0.87  molprobity  
 928   928  ?          92.4   -93.4  Allowed     ?   3   4  0.57   5  0.44  molprobity  
 929   929  mpt_?     -66.8   176.3  Favored     ?  13  11  0.41  14  0.78  molprobity  
 930   930  mtt180    -76.3  -173.8  Favored     ?  13  11  0.62  14  0.63  molprobity  
 931   931  tp       -147.1   113.8  Favored     ?  11   8  0.49  11  0.85  molprobity  
 932   932  t        -112.7    99.2  Favored     ?   9   7  0.44  10  0.61  molprobity  
 933   933  mt        -85.5   110.3  Favored     ?  11   8  0.32  11  0.54  molprobity  
 934   934  pm0       -68.8   143.8  Favored     ?   6   9  0.29  13  0.60  molprobity  
 935   935  Cg_exo    -73.4     6.0  Favored     ?   7   8  0.27  11  0.67  molprobity  
 936   936  ?        -112.0    21.2  Favored     ?   3   4  0.45   5  0.18  molprobity  
 937   937  ttt180    -96.9   123.8  Favored     ?  13  11  0.33  14  0.55  molprobity  
 938   938  mt        -72.6   155.3  Favored     ?  11   8  0.29  11  0.44  molprobity  
 939   939  ?         -75.8    -9.3  Favored     ?   5   5  0.30   7  0.63  molprobity  
 940   940  pt20      -87.1    -2.1  Favored     ?   8   9  0.29  12  0.33  molprobity  
 941   941  m-70     -108.9    11.9  Favored     1   7  11  0.25  15  0.21  molprobity  
 942   942  m-30      -71.7   159.6  Favored     ?   9  12  0.53  17  0.34  molprobity  
 943   943  Cg_endo   -71.2   154.4  Favored     ?   7   8  0.45  11  0.36  molprobity  
 944   944  mmtt      -79.4   127.3  Favored     ?  13   9  0.26  11  0.34  molprobity  
 945   945  p        -120.6   150.0  Favored     ?   7   7  0.44  10  0.70  molprobity  
 946   946  p        -121.4  -171.7  Favored     ?   7   7  0.25  10  0.73  molprobity  
 947   947  mt-10     -74.6   -30.4  Favored     ?   6   9  0.41  12  0.49  molprobity  
 948   948  mp0       -92.9     1.0  Favored     ?   6   9  0.52  12  0.51  molprobity  
 949   949  t-20     -134.1    78.5  Favored     ?   6   8  0.34  12  0.37  molprobity  
 950   950  Cg_endo   -90.3  -174.7  Allowed     ?   7   8  0.67  11  0.47  molprobity  
 951   951  mt       -109.5   112.4  Favored     ?  11   8  0.63  11  0.64  molprobity  
 952   952  m-85      -79.4   136.0  Favored     ?   9  12  0.90  16  0.26  molprobity  
 953   953  t        -111.4   118.8  Favored     ?   9   7  1.57  10  0.73  molprobity  
 954   954  t        -121.4   140.1  Favored     ?   9   7  0.67  10  0.60  molprobity  
 955   955  t        -107.6  -177.6  Favored     ?   5   6  0.31   8  0.43  molprobity  
 956   956  mtt-85   -109.7   -21.1  Favored     ?  13  11  0.67  14  1.00  molprobity  
 957   957  mm-40    -100.3   145.5  Favored     ?   6   9  0.31  13  0.41  molprobity  
 958   958  Cg_endo   -76.0   151.7  Favored     ?   7   8  0.38  11  0.57  molprobity  
 959   959  mt       -128.8  -170.3  Favored     ?  11   8  0.25  11  0.41  molprobity  
 960   960  m-20     -111.0   125.4  Favored     ?   6   8  0.22  11  0.32  molprobity  
 961   961  m         -78.9   106.9  Favored     ?   7   7  0.40  10  0.69  molprobity  
 962   962  mt        -90.1   -61.9  Allowed     ?  11   8  0.37  11  0.51  molprobity  
 963   963  ?          99.6  -158.2  Favored     ?   3   4  0.57   5  0.61  molprobity  
 964   964  tp        -94.0   132.2  Favored     ?  11   8  0.44  11  0.34  molprobity  
 965   965  mt       -105.0   110.6  Favored     ?  11   8  0.47  11  0.57  molprobity  
 966   966  p90      -131.5   164.0  Favored     ?   9  13  0.96  18  0.54  molprobity  
 967   967  tp10      -86.2   144.7  Favored     ?   6   9  0.52  12  0.72  molprobity  
 968   968  mmtm      -91.6   105.4  Favored     ?  13   9  0.35  11  0.45  molprobity  
 969   969  mm       -108.5   129.6  Favored     ?  11   8  0.43  11  0.63  molprobity  
 970   970  m        -110.0   166.9  Favored     ?   5   6  0.27   8  0.44  molprobity  
 971   971  mt        -80.7   139.0  Favored     ?  11   8  0.41  12  0.69  molprobity  
 972   972  Cg_endo   -71.9   161.0  Favored     ?   7   8  0.37  11  0.42  molprobity  
 973   973  mmmt      -74.7   127.0  Favored     ?  13   9  0.31  11  0.30  molprobity  
 974   974  p         -77.0   136.8  Favored     ?   9   7  0.59  10  0.66  molprobity  
 975   975  t-80      -97.2   132.2  Favored     ?   7  11  0.28  16  0.33  molprobity  
 976   976  Cg_endo   -80.9   -15.9  Favored     ?   7   8  0.28  11  0.61  molprobity  
 977   977  mtt-85    -72.4   151.2  Favored     ?  13  11  0.35  14  0.47  molprobity  
 978   978  t80       -78.0    90.2  Favored     ?   9  13  0.69  18  0.49  molprobity  
 979   979  t0       -121.9   112.7  Favored     ?   4   8  0.34  11  0.61  molprobity  
 980   980  tt        -79.8   -13.6  Favored     ?  11   8  0.39  11  1.29  molprobity  
 981   981  m-20      -89.3   -31.7  Favored     ?   4   8  0.26  11  0.60  molprobity  
 982   982  ?         -74.9   -19.7  Favored     ?   3   4  0.34   5  0.36  molprobity  
 983   983  m-20      -69.7   -36.8  Favored     ?   4   8  0.34  11  0.38  molprobity  
 984   984  ?         -68.2   -39.1  Favored     ?   5   5  0.21   7  0.16  molprobity  
 985   985  t         -66.9   -41.3  Favored     ?   5   6  0.30   8  0.24  molprobity  
 986   986  tmm?      -64.0   -41.4  Favored     ?   9   8  0.26  10  0.69  molprobity  
 987   987  ?         -66.2   -39.1  Favored     ?   5   5  0.24   7  0.25  molprobity  
 988   988  tttm      -65.9   -43.2  Favored     ?  13   9  0.36  11  0.44  molprobity  
 989   989  ?         -67.8   -39.6  Favored     ?   5   5  0.20   7  0.37  molprobity  
 990   990  mt        -70.6   -39.5  Favored     ?  11   8  0.93  11  0.67  molprobity  
 991   991  m         -67.7   -31.1  Favored     ?   7   7  0.35  10  0.80  molprobity  
 992   992  ?         -67.5   -36.2  Favored     ?   3   4  0.14   5  0.17  molprobity  
 993   993  t         -65.0   -44.2  Favored     ?   9   7  0.93  10  0.61  molprobity  
 994   994  t         -71.0   -30.7  Favored     ?   9   7  0.88  10  1.08  molprobity  
 995   995  m         -65.9   -40.6  Favored     ?   5   6  0.90   8  0.50  molprobity  
 996   996  t80       -62.0   -38.4  Favored     ?   9  13  1.07  18  0.38  molprobity  
 997   997  ?         -67.5   -36.8  Favored     ?   5   5  0.16   7  0.30  molprobity  
 998   998  t         -66.7   -38.0  Favored     ?   5   6  0.80   8  0.32  molprobity  
 999   999  ttp85     -66.3   -40.9  Favored     ?  13  11  0.47  14  0.55  molprobity  
1000  1000  mm        -68.0   -32.2  Favored     ?  11   8  0.51  11  0.73  molprobity  
1001  1001  ?         -66.8   -40.8  Favored     ?   5   5  0.30   7  0.43  molprobity  
1002  1002  p         -68.2   -34.3  Favored     ?   5   6  0.58   8  0.38  molprobity  
1003  1003  m         -68.4   -37.4  Favored     ?   7   7  0.52  10  0.60  molprobity  
1004  1004  mt        -66.0   -38.6  Favored     ?  11   8  0.39  11  0.41  molprobity  
1005  1005  tp        -65.9   -37.5  Favored     ?  11   8  0.45  11  0.58  molprobity  
1006  1006  tp        -63.8   -40.6  Favored     ?  11   8  0.32  11  0.39  molprobity  
1007  1007  m-30      -65.7   -38.6  Favored     ?   9  13  1.03  18  0.75  molprobity  
1008  1008  mt-30     -67.6   -37.7  Favored     ?   8   9  0.75  12  0.33  molprobity  
1009  1009  mm-40     -68.5   -41.5  Favored     ?   6   9  0.76  12  0.54  molprobity  
1010  1010  mt        -68.1   -30.1  Favored     ?  11   8  0.49  11  0.58  molprobity  
1011  1011  tpt       -68.5   -42.5  Favored     ?   9   8  0.49  10  0.45  molprobity  
1012  1012  mtt85     -62.9   -40.0  Favored     ?  13  11  0.55  14  0.46  molprobity  
1013  1013  ttpt      -69.3   -41.0  Favored     ?  13   9  0.69  11  0.64  molprobity  
1014  1014  ?         -67.9   -36.7  Favored     ?   3   4  0.13   5  0.21  molprobity  
1015  1015  mt        -62.6   -45.0  Favored     ?  11   8  0.41  11  0.30  molprobity  
1016  1016  ttp-105   -63.5   -32.1  Favored     ?  13  11  0.47  14  0.54  molprobity  
1017  1017  m0        -78.1   -35.8  Favored     ?  10  16  0.83  23  0.31  molprobity  
1018  1018  tp        -67.9   -32.2  Favored     ?  11   8  0.48  11  1.14  molprobity  
1019  1019  mt        -66.0   -36.3  Favored     ?  11   8  0.51  11  0.66  molprobity  
1020  1020  mm-40     -68.3   -37.1  Favored     ?   6   9  0.48  12  0.40  molprobity  
1021  1021  mp        -67.2   -36.4  Favored     ?  11   8  0.54  11  0.93  molprobity  
1022  1022  mt        -63.2   -41.0  Favored     ?  11   8  0.45  11  0.52  molprobity  
1023  1023  mttt      -67.2   -31.4  Favored     ?  13   9  0.34  11  0.41  molprobity  
1024  1024  m-20      -70.2   -39.3  Favored     ?   4   8  0.43  11  0.36  molprobity  
1025  1025  m-20      -62.8   -39.4  Favored     ?   4   8  0.38  11  0.29  molprobity  
1026  1026  t80       -57.0   -48.5  Favored     ?   9  13  0.69  18  0.35  molprobity  
1027  1027  m-20      -68.7   -37.8  Favored     ?   6   8  0.31  11  0.53  molprobity  
1028  1028  pt-20     -70.7   -33.1  Favored     ?   6   9  0.49  12  0.63  molprobity  
1029  1029  m         -64.5   -40.3  Favored     ?   7   7  0.25  10  0.23  molprobity  
1030  1030  t         -62.7   -48.8  Favored     ?   9   7  0.49  10  0.99  molprobity  
1031  1031  p80       -79.3   -26.5  Favored     ?   7  11  0.31  15  0.50  molprobity  
1032  1032  tppt?     -62.4   -40.6  Favored     ?  13   9  0.42  11  0.28  molprobity  
1033  1033  ttpp      -63.8   -40.6  Favored     ?  13   9  0.55  11  0.61  molprobity  
1034  1034  m         -63.4   -37.6  Favored     ?   7   7  0.32  10  0.39  molprobity  
1035  1035  tt0       -61.7   -46.1  Favored     ?   6   9  0.56  12  0.50  molprobity  
1036  1036  t         -65.8   -33.0  Favored     ?   9   7  0.49  10  0.65  molprobity  
1037  1037  t         -63.6   -45.0  Favored     ?   9   7  0.61  10  0.63  molprobity  
1038  1038  mt        -60.9   -45.0  Favored     ?  11   8  0.29  11  0.26  molprobity  
1039  1039  m         -65.1   -40.6  Favored     ?   7   7  0.36  10  0.46  molprobity  
1040  1040  tp        -64.9   -45.9  Favored     ?  11   8  0.23  11  0.31  molprobity  
1041  1041  t70       -69.0   -33.4  Favored     ?   4   8  0.26  11  0.37  molprobity  
1042  1042  t80       -66.8   -41.5  Favored     ?   9  12  0.53  16  0.43  molprobity  
1043  1043  t         -65.1   -40.2  Favored     ?   5   6  0.41   8  0.21  molprobity  
1044  1044  mt        -58.4   -54.1  Favored     ?  11   8  0.34  11  0.32  molprobity  
1045  1045  ttp85     -63.3   -40.5  Favored     ?  13  11  0.26  14  0.43  molprobity  
1046  1046  t-20      -65.3   -51.0  Favored     ?   6   8  0.28  11  0.44  molprobity  
1047  1047  tp        -71.7   -30.5  Favored     ?  11   8  0.27  11  0.73  molprobity  
1048  1048  mm-40     -77.8   -37.1  Favored     ?   6   9  0.30  12  0.38  molprobity  
1049  1049  mttt      -64.9   -39.4  Favored     ?  13   9  0.21  11  0.32  molprobity  
1050  1050  m         -65.3   -42.1  Favored     ?   7   7  0.23  10  0.38  molprobity  
1051  1051  t         -68.8   -41.3  Favored     ?   9   7  0.24  10  0.68  molprobity  
1052  1052  mttt      -71.4   -27.6  Favored     ?  13   9  0.21  11  0.45  molprobity  
1053  1053  t         -84.7   -40.1  Favored     ?   9   7  0.31  10  0.60  molprobity  
1054  1054  t80       -68.4   -29.2  Favored     ?   9  13  0.23  18  0.39  molprobity  
1055  1055  mm-40     -82.2     7.7  Favored     ?   6   9  0.22  12  0.66  molprobity  
1056  1056  ?             ?       ?  ?           ?   2   4  0.25   4  0.53  molprobity  
1057  1057  ?             ?       ?  ?           ?   2   4  0.18   5  0.19  molprobity  
1058  1058  ?         -89.2    24.1  Favored     ?   2   5  0.25   7  0.27  molprobity  
1059  1059  mm        -71.1   -44.1  Favored     ?  11   8  0.23  11  0.41  molprobity  
1060  1060  t         -71.6   -30.8  Favored     ?   5   6  0.16   8  0.14  molprobity  
1061  1061  t0        -62.6   -32.8  Favored     ?   4   8  0.20  11  0.54  molprobity  
1062  1062  mt        -74.8   -51.0  Favored     ?  11   8  0.25  11  0.28  molprobity  
1063  1063  t60       -71.1   -36.7  Favored     ?   7  11  0.23  15  0.25  molprobity  
1064  1064  m         -63.8   -45.4  Favored     ?   7   7  0.23  10  0.37  molprobity  
1065  1065  mttt      -66.2   -37.6  Favored     ?  13   9  0.27  11  0.42  molprobity  
1066  1066  mp        -74.8   -28.7  Favored     ?  11   8  0.36  11  0.92  molprobity  
1067  1067  tt        -66.8   -37.7  Favored     ?  11   8  0.39  11  0.93  molprobity  
1068  1068  mmt-85    -60.2   -40.9  Favored     ?  13  11  0.32  14  0.52  molprobity  
1069  1069  mt        -66.5   -36.4  Favored     ?  11   8  0.20  11  0.34  molprobity  
1070  1070  m         -70.0   -35.3  Favored     ?   5   6  0.32   8  0.40  molprobity  
1071  1071  p         -65.0   -40.5  Favored     ?   5   6  0.39   8  0.34  molprobity  
1072  1072  t         -62.2   -44.6  Favored     ?   5   6  0.21   8  0.33  molprobity  
1073  1073  tt0       -51.7   -43.2  Favored     ?   8   9  0.49  12  0.57  molprobity  
1074  1074  ?         -63.5   -32.1  Favored     ?   3   4  0.12   5  0.49  molprobity  
1075  1075  p         -73.6   -39.8  Favored     ?   7   7  0.42  10  0.49  molprobity  
1076  1076  mm        -61.5   -38.6  Favored     ?  11   8  0.36  11  0.61  molprobity  
1077  1077  tp10      -68.5   -41.5  Favored     ?   6   9  0.37  12  0.56  molprobity  
1078  1078  t         -74.0   -26.2  Favored     ?   7   7  0.30  10  0.54  molprobity  
1079  1079  m         -68.4   -37.3  Favored     ?   5   6  0.26   8  0.33  molprobity  
1080  1080  mt        -68.1   -32.1  Favored     ?  11   8  0.31  11  0.47  molprobity  
1081  1081  tt0       -66.2   -38.8  Favored     ?   8   9  0.24  12  0.29  molprobity  
1082  1082  t70       -67.0   -37.5  Favored     ?   4   8  0.31  11  0.41  molprobity  
1083  1083  mt        -67.4   -38.2  Favored     ?  11   8  0.29  11  0.68  molprobity  
1084  1084  t70       -67.9   -31.3  Favored     ?   4   8  0.27  11  0.33  molprobity  
1085  1085  t         -66.8   -30.0  Favored     ?   5   6  0.21   8  0.53  molprobity  
1086  1086  mtm180    -81.0   -40.6  Favored     ?  13  11  0.30  14  0.43  molprobity  
1087  1087  mt        -77.1    -3.2  Favored     ?  11   8  0.33  11  1.03  molprobity  
1088  1088  m         -70.4   146.7  Favored     ?   5   6  0.29   9  0.26  molprobity  
1089  1089  Cg_endo   -64.9   112.8  Favored     ?   7   8  0.24  11  0.26  molprobity  
1090  1090  ?         109.2     7.2  Favored     ?   3   4  0.51   5  0.72  molprobity  
1091  1091  ?         -95.0  -142.3  Favored     ?   3   4  0.23   5  0.37  molprobity  
1092  1092  p         -95.2   -24.0  Favored     ?   5   6  0.37   8  0.48  molprobity  
1093  1093  tp       -112.9    42.6  Allowed     ?  11   8  0.37  11  0.87  molprobity  
1094  1094  ?        -101.8   151.3  Favored     ?   5   5  0.33   7  0.56  molprobity  
1095  1095  p-10      -98.7    36.0  Allowed     ?   4   8  0.29  11  0.42  molprobity  
1096  1096  ?         -74.8   -18.8  Favored     ?   5   5  0.25   7  0.39  molprobity  
1097  1097  p-90      -73.9   -28.3  Favored     ?  10  16  0.51  23  0.20  molprobity  
1098  1098  ?         -73.2   -13.1  Favored     ?   5   5  0.30   7  0.56  molprobity  
1099  1099  m-70     -100.1    15.6  Favored     ?   7  11  0.24  15  0.19  molprobity  
1100  1100  mt-30    -131.6     3.0  Favored     ?   8   9  0.23  12  0.52  molprobity  
1101  1101  mt-10    -137.2   173.4  Favored     ?   6   9  0.67  12  0.71  molprobity  
1102  1102  ?          72.8  -165.2  Favored     ?   3   4  0.72   5  0.81  molprobity  
1103  1103  p        -115.6   145.0  Favored     ?   7   7  0.44  10  0.70  molprobity  
1104  1104  m80      -110.6   159.0  Favored     ?   7  11  0.27  16  0.32  molprobity  
1105  1105  Cg_exo    -70.2    -8.7  Favored     ?   7   8  0.49  11  0.53  molprobity  
1106  1106  pttm      -84.8    -9.5  Favored     ?  13   9  0.30  11  0.41  molprobity  
1107  1107  m-20      -81.7   -25.8  Favored     ?   4   8  0.25  11  0.63  molprobity  
1108  1108  mtp85      62.6    48.9  Favored     ?  13  11  0.36  14  0.48  molprobity  
1109  1109  m-20      -74.5   -35.0  Favored     ?   6   8  0.27  11  0.25  molprobity  
1110  1110  t         -69.1   -35.5  Favored     ?   9   7  0.58  10  0.51  molprobity  
1111  1111  mp0       -71.1   -32.9  Favored     ?   6   9  0.48  12  0.35  molprobity  
1112  1112  mttt      -67.0   -34.6  Favored     ?  13   9  0.56  11  0.60  molprobity  
1113  1113  mt        -70.9   -32.3  Favored     ?  11   8  0.36  11  0.58  molprobity  
1114  1114  tp60      -71.8   -31.1  Favored     ?   8   9  0.51  12  0.42  molprobity  
1115  1115  t         -65.8   -47.8  Favored     ?   9   7  0.82  10  0.49  molprobity  
1116  1116  mt        -62.7   -35.2  Favored     ?  11   8  0.40  11  0.41  molprobity  
1117  1117  tp        -67.6   -35.3  Favored     ?  11   8  0.44  11  0.97  molprobity  
1118  1118  m-20      -69.7   -38.2  Favored     ?   6   8  0.31  11  0.30  molprobity  
1119  1119  m         -62.4   -42.6  Favored     ?   5   6  0.64   8  0.36  molprobity  
1120  1120  mtp       -67.0   -36.7  Favored     ?   9   8  0.63  10  0.74  molprobity  
1121  1121  m         -68.8   -32.4  Favored     ?   7   7  0.25  10  0.52  molprobity  
1122  1122  tp10      -67.2   -41.9  Favored     ?   6   9  0.51  12  0.39  molprobity  
1123  1123  mt        -65.3   -35.7  Favored     ?  11   8  0.54  11  0.68  molprobity  
1124  1124  t80       -63.2   -42.0  Favored     ?   9  13  0.72  18  0.35  molprobity  
1125  1125  m-30      -67.4   -35.0  Favored     ?   9  13  0.79  18  0.41  molprobity  
1126  1126  tp-100    -69.3   -36.0  Favored     ?   8   9  0.44  12  0.35  molprobity  
1127  1127  m-30      -68.9   -38.8  Favored     ?   9  12  0.83  16  0.60  molprobity  
1128  1128  ttpt      -68.2   -30.4  Favored     ?  13   9  0.33  11  0.51  molprobity  
1129  1129  ttmt      -73.1   -36.6  Favored     ?  13   9  0.51  11  0.70  molprobity  
1130  1130  m-20      -75.1   -14.3  Favored     ?   4   8  0.24  11  0.56  molprobity  
1131  1131  tmmt?     -76.8   -27.6  Favored     ?  13   9  0.23  11  0.61  molprobity  
1132  1132  ?         -73.7   -37.2  Favored     ?   5   5  0.26   7  0.20  molprobity  
1133  1133  tt0       -76.5   129.4  Favored     ?   6   9  0.30  12  0.41  molprobity  
1134  1134  mmp_?     -72.8   -36.7  Favored     ?  13  11  0.27  14  0.55  molprobity  
1135  1135  ptm180   -144.6   159.7  Favored     ?  13  11  0.30  14  0.57  molprobity  
1136  1136  mp       -119.9   170.3  Favored     ?  11   8  0.29  11  0.92  molprobity  
1137  1137  ?         -80.8  -167.0  Allowed     ?   5   5  0.13   7  0.77  molprobity  
1138  1138  t80       -74.4   -58.4  Favored     ?   9  13  0.53  18  0.22  molprobity  
1139  1139  m-20      -64.2   -33.5  Favored     ?   6   8  0.29  11  0.29  molprobity  
1140  1140  mm-40     -67.0   -36.7  Favored     ?   6   9  0.38  12  0.32  molprobity  
1141  1141  tt0       -68.8   -36.5  Favored     ?   6   9  0.42  12  0.48  molprobity  
1142  1142  mm100     -68.9   -41.4  Favored     1   8   9  0.66  12  0.18  molprobity  
1143  1143  mt        -63.6   -35.1  Favored     ?  11   8  0.45  11  0.53  molprobity  
1144  1144  t60       -61.2   -41.1  Favored     ?   7  11  0.29  15  0.35  molprobity  
1145  1145  mttt      -71.5   -38.6  Favored     ?  13   9  0.43  11  0.34  molprobity  
1146  1146  m-85      -65.4   -38.2  Favored     ?   9  12  0.44  16  0.29  molprobity  
1147  1147  m-20      -67.8   -34.1  Favored     ?   4   8  0.34  11  0.26  molprobity  
1148  1148  tttt      -63.4   -37.6  Favored     ?  13   9  0.33  11  0.78  molprobity  
1149  1149  pt20      -83.6   -25.2  Favored     ?   8   9  0.45  12  0.61  molprobity  
1150  1150  ttmp?     -73.8   -29.6  Favored     ?  13   9  0.50  11  0.47  molprobity  
1151  1151  tp        -58.2   -46.4  Favored     ?  11   8  0.50  11  0.66  molprobity  
1152  1152  t80       -72.1   -27.1  Favored     ?   9  13  0.63  18  0.39  molprobity  
1153  1153  t80       -65.0   -43.9  Favored     ?   9  13  0.51  18  0.33  molprobity  
1154  1154  m-70      -63.9   -36.6  Favored     ?   7  11  0.31  15  0.32  molprobity  
1155  1155  ?         -68.0   -40.9  Favored     ?   5   5  0.26   7  0.26  molprobity  
1156  1156  m         -64.3   -40.4  Favored     ?   7   7  0.36  10  0.46  molprobity  
1157  1157  tttt      -64.5   -43.4  Favored     ?  13   9  0.50  11  0.40  molprobity  
1158  1158  ?         -71.4   -41.1  Favored     ?   5   5  0.17   7  0.63  molprobity  
1159  1159  mmm       -77.8   -12.8  Favored     ?   9   8  0.41  10  0.60  molprobity  
1160  1160  m         -78.4   -43.0  Favored     ?   7   7  0.31  10  0.47  molprobity  
1161  1161  t60       -61.1   -37.8  Favored     ?   7  11  0.26  15  0.23  molprobity  
1162  1162  t80       -64.9   -55.9  Favored     ?   9  12  0.60  16  0.36  molprobity  
1163  1163  p         -78.6    -8.2  Favored     ?   7   7  0.34  10  0.97  molprobity  
1164  1164  m-20     -116.5     5.9  Favored     ?   4   8  0.28  11  0.63  molprobity  
1165  1165  tp10     -128.4   -34.7  Favored     ?   6   9  0.26  12  0.43  molprobity  
1166  1166  m         -95.4   -46.1  Favored     ?   5   6  0.49   8  0.38  molprobity  
1167  1167  t         -77.7   -37.1  Favored     ?   9   7  0.92  10  0.70  molprobity  
1168  1168  tttt      -69.8   -44.5  Favored     ?  13   9  0.43  11  0.48  molprobity  
1169  1169  mttt      -67.6   -33.5  Favored     ?  13   9  0.59  11  0.37  molprobity  
1170  1170  t80       -62.9   -41.4  Favored     ?   9  13  0.88  18  0.53  molprobity  
1171  1171  mt-10     -70.7   -30.9  Favored     ?   6   9  0.44  12  0.46  molprobity  
1172  1172  ?         -64.7   -41.8  Favored     ?   5   5  0.33   7  0.20  molprobity  
1173  1173  t80       -65.1   -41.4  Favored     ?   9  12  0.80  16  0.20  molprobity  
1174  1174  tp        -62.5   -41.7  Favored     ?  11   8  0.55  11  0.85  molprobity  
1175  1175  t-20      -68.6   -29.7  Favored     ?   6   8  0.26  11  0.61  molprobity  
1176  1176  mmtt      -79.5   -33.4  Favored     ?  13   9  0.54  11  0.38  molprobity  
1177  1177  m         -64.2   -32.3  Favored     ?   5   6  0.53   8  0.32  molprobity  
1178  1178  tt0       -60.1   -47.7  Favored     ?   6   9  0.68  12  0.53  molprobity  
1179  1179  pt-20     -75.8   -26.9  Favored     ?   6   9  0.46  12  0.64  molprobity  
1180  1180  t90       -66.4   -38.5  Favored     ?  10  16  0.62  23  0.44  molprobity  
1181  1181  mt        -67.5   -35.5  Favored     ?  11   8  0.43  11  0.66  molprobity  
1182  1182  ttm105    -64.8   -43.9  Favored     ?  13  11  0.52  14  0.41  molprobity  
1183  1183  mtpt      -64.6   -38.5  Favored     ?  13   9  0.43  11  0.27  molprobity  
1184  1184  tmm?      -62.8   -43.8  Favored     ?   9   8  0.24  10  0.84  molprobity  
1185  1185  mt        -65.9   -35.9  Favored     ?  11   8  0.42  11  0.50  molprobity  
1186  1186  t60       -64.1   -47.2  Favored     ?   7  11  0.35  15  0.29  molprobity  
1187  1187  tt        -65.0   -39.1  Favored     ?  11   8  0.40  11  0.97  molprobity  
1188  1188  ttt180    -72.8   -22.8  Favored     ?  13  11  0.85  14  0.76  molprobity  
1189  1189  tttt      -77.5   -40.8  Favored     ?  13   9  0.50  11  0.37  molprobity  
1190  1190  mt-30     -63.2   -36.5  Favored     ?   8   9  0.57  12  0.39  molprobity  
1191  1191  tp        -65.0   -36.2  Favored     ?  11   8  0.39  11  0.69  molprobity  
1192  1192  tp        -67.7   -36.6  Favored     ?  11   8  0.40  11  0.45  molprobity  
1193  1193  p         -63.1   -41.9  Favored     ?   5   6  0.38   8  0.31  molprobity  
1194  1194  mt        -65.8   -37.6  Favored     ?  11   8  0.40  11  0.55  molprobity  
1195  1195  m         -64.4   -41.0  Favored     ?   7   7  0.29  10  0.50  molprobity  
1196  1196  m-20      -69.1   -33.9  Favored     ?   6   8  0.26  11  0.39  molprobity  
1197  1197  mt-30     -67.1   -37.6  Favored     ?   8   9  0.39  12  0.40  molprobity  
1198  1198  m         -65.9   -36.6  Favored     ?   5   6  0.45   8  0.46  molprobity  
1199  1199  m-30      -66.6   -35.4  Favored     ?   9  12  0.34  16  0.35  molprobity  
1200  1200  m-20      -65.5   -41.5  Favored     ?   4   8  0.35  11  0.32  molprobity  
1201  1201  mt        -64.3   -37.8  Favored     ?  11   8  0.23  11  0.69  molprobity  
1202  1202  tt0       -67.4   -38.2  Favored     ?   6   9  0.43  12  0.34  molprobity  
1203  1203  mt-10     -64.8   -30.9  Favored     ?   6   9  0.28  12  0.50  molprobity  
1204  1204  mt-10     -76.6   -41.5  Favored     ?   6   9  0.46  12  0.28  molprobity  
1205  1205  t         -65.1   -31.0  Favored     ?   9   7  0.54  10  1.14  molprobity  
1206  1206  p         -62.4   -48.4  Favored     ?   5   6  0.34   8  0.34  molprobity  
1207  1207  tttt      -69.5   -38.6  Favored     ?  13   9  0.34  11  0.46  molprobity  
1208  1208  m-30      -68.7   -32.3  Favored     ?   9  13  0.35  18  0.24  molprobity  
1209  1209  tt0       -69.2   -37.3  Favored     ?   8   9  0.27  12  0.30  molprobity  
1210  1210  tt0       -63.1   -44.7  Favored     ?   6   9  0.30  12  0.29  molprobity  
1211  1211  t80       -68.0   -34.0  Favored     ?   9  13  0.31  18  0.28  molprobity  
1212  1212  m         -63.6   -45.1  Favored     ?   7   7  0.11  10  0.43  molprobity  
1213  1213  m-20      -69.0   -34.2  Favored     ?   6   8  0.26  11  0.28  molprobity  
1214  1214  tm-20     -64.7   -40.1  Favored     ?   6   9  0.43  12  0.39  molprobity  
1215  1215  tp        -72.2   -27.1  Favored     ?  11   8  0.18  11  0.49  molprobity  
1216  1216  mm-40     -64.8   -45.3  Favored     ?   8   9  0.25  12  0.59  molprobity  
1217  1217  tm-20     -73.1   -33.4  Favored     ?   6   9  0.31  12  0.56  molprobity  
1218  1218  t         -81.1   -10.5  Favored     ?   7   7  0.19  10  0.76  molprobity  
1219  1219  mt            ?       ?  ?           ?  11   7  0.15   8  0.55  molprobity  
1220  1220  m-20          ?       ?  ?           ?   3   8  0.25  11  0.30  molprobity  
1221  1221  mp        -75.0   147.2  Favored     ?  11   8  0.30  12  0.54  molprobity  
1222  1222  Cg_endo   -73.4   135.9  Favored     ?   7   8  0.59  11  1.48  molprobity  
1223  1223  mt-30    -111.2   150.6  Favored     ?   8   9  0.45  13  0.53  molprobity  
1224  1224  Cg_endo   -69.3   156.4  Favored     ?   7   8  0.48  11  0.61  molprobity  
1225  1225  mt        -70.3   169.9  Favored     ?  11   8  0.54  11  0.64  molprobity  
1226  1226  ptt180   -153.6   158.0  Favored     ?  13  11  0.24  14  0.52  molprobity  
1227  1227  p        -124.6   100.0  Favored     ?   5   6  0.30   8  0.67  molprobity  
1228  1228  t70           ?       ?  ?           ?   4   7  0.17   8  0.29  molprobity  
#
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  0.56  1.88  
 2    10  HD13   1  0.56  1.88  
 3    39  HG22   2  0.42  2.02  
 4    77  HG12   2  0.42  2.02  
 5   127  HB2    3  0.54  1.90  
 6   128  NE     4  0.41  2.54  
 7   152  HB2    3  0.54  1.90  
 8   153  O      4  0.41  2.54  
 9   309  OE1    5  0.56  2.36  
10   315  NH2    6  0.64  2.27  
11   315  HH12   7  0.41  1.83  
12   341  OG     8  0.42  2.53  
13   342  N      8  0.42  2.53  
14   433  HD11   9  0.57  1.85  
15   433  HD13  10  0.46  1.96  
16   433  HD12  11  0.40  1.99  
17   433  HA    11  0.40  1.99  
18   479  HD22  12  0.48  1.95  
19   573  HD13  12  0.48  1.95  
20   574  NH2    5  0.56  2.36  
21   598  HG23  10  0.46  1.96  
22   601  HD23   9  0.57  1.85  
23   604  HG23  13  0.52  1.91  
24   605  HG    13  0.52  1.91  
25   615  HB3   14  0.56  1.88  
26   624  HD13  14  0.56  1.88  
27   653  HG22  15  0.41  2.03  
28   691  HG12  15  0.41  2.03  
29   741  HB2   16  0.53  1.90  
30   742  NE    17  0.40  2.54  
31   766  HB2   16  0.53  1.90  
32   767  O     17  0.40  2.54  
33   923  OE1   18  0.56  2.36  
34   929  HG3    7  0.41  1.83  
35   955  OG    19  0.42  2.53  
36   956  N     19  0.42  2.53  
37  1024  OD2    6  0.64  2.27  
38  1047  HD11  20  0.58  1.84  
39  1047  HD13  21  0.47  1.96  
40  1072  O     22  0.40  2.22  
41  1076  HG12  22  0.40  2.22  
42  1093  HD22  23  0.49  1.95  
43  1142  NE2   24  0.48  2.11  
44  1142  HE22  25  0.44  1.64  
45  1187  HD13  23  0.49  1.95  
46  1188  NH2   18  0.56  2.36  
47  1212  HG23  21  0.47  1.96  
48  1215  HD23  20  0.58  1.84  
49  1218  HG23  26  0.52  1.91  
50  1219  HG    26  0.52  1.91  
51  1223  H     24  0.48  2.11  
52  1223  H     25  0.44  1.64  
#
loop_
_pdbx_vrpt_model_instance_map_fitting.ordinal
_pdbx_vrpt_model_instance_map_fitting.instance_id
_pdbx_vrpt_model_instance_map_fitting.residue_inclusion
_pdbx_vrpt_model_instance_map_fitting.Q_score
   1     1    0.75   0.432  
   2     2  0.7778   0.567  
   3     3     1.0   0.582  
   4     4  0.7143   0.486  
   5     5  0.8333   0.523  
   6     6    0.75   0.555  
   7     7     1.0   0.605  
   8     8     1.0   0.596  
   9     9     1.0   0.608  
  10    10    0.75   0.526  
  11    11    0.75   0.548  
  12    12  0.6667   0.533  
  13    13     0.5   0.452  
  14    14   0.875   0.525  
  15    15     1.0   0.599  
  16    16    0.75   0.588  
  17    17  0.7778   0.510  
  18    18     1.0   0.542  
  19    19     0.8   0.542  
  20    20  0.4286   0.358  
  21    21     0.8   0.524  
  22    22    0.75   0.484  
  23    23  0.7143   0.552  
  24    24  0.9091   0.567  
  25    25  0.8182   0.504  
  26    26    0.75   0.619  
  27    27     1.0   0.586  
  28    28     1.0   0.618  
  29    29     1.0   0.603  
  30    30  0.8889   0.532  
  31    31     1.0   0.552  
  32    32    0.75   0.565  
  33    33     0.5   0.488  
  34    34   0.875   0.611  
  35    35     1.0   0.594  
  36    36     0.8   0.577  
  37    37     1.0   0.567  
  38    38  0.7778   0.571  
  39    39  0.8571   0.519  
  40    40  0.9091   0.505  
  41    41     1.0   0.480  
  42    42   0.375   0.399  
  43    43  0.2857   0.279  
  44    44   0.375   0.352  
  45    45  0.5714   0.312  
  46    46  0.5556   0.288  
  47    47   0.375   0.454  
  48    48  0.2727   0.419  
  49    49  0.5556   0.478  
  50    50  0.9091   0.536  
  51    51  0.5556   0.403  
  52    52  0.7143   0.533  
  53    53   0.625   0.475  
  54    54  0.6667   0.484  
  55    55  0.6667   0.486  
  56    56   0.875   0.571  
  57    57    0.75   0.535  
  58    58     1.0   0.622  
  59    59  0.7778   0.523  
  60    60     1.0   0.607  
  61    61     1.0   0.570  
  62    62     1.0   0.573  
  63    63  0.7778   0.555  
  64    64    0.75   0.519  
  65    65  0.9091   0.588  
  66    66     1.0   0.604  
  67    67   0.625   0.469  
  68    68  0.5556   0.532  
  69    69  0.5556   0.354  
  70    70  0.7778   0.522  
  71    71  0.7143   0.503  
  72    72  0.5714   0.356  
  73    73  0.7143   0.443  
  74    74  0.4545   0.462  
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  76    76  0.6667   0.512  
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  79    79    0.75   0.547  
  80    80   0.875   0.541  
  81    81  0.7778   0.567  
  82    82  0.9091   0.596  
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  89    89  0.9167   0.574  
  90    90  0.8571   0.524  
  91    91  0.8571   0.599  
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 149   149   0.875   0.596  
 150   150  0.7143   0.504  
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 152   152     1.0   0.608  
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 154   154     1.0   0.662  
 155   155  0.8571   0.529  
 156   156  0.6667   0.472  
 157   157  0.7778   0.525  
 158   158     1.0   0.630  
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 160   160     1.0   0.460  
 161   161  0.7143   0.478  
 162   162     0.5   0.521  
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 164   164  0.7143   0.473  
 165   165  0.8571   0.545  
 166   166   0.875   0.573  
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 171   171     1.0   0.585  
 172   172     1.0   0.590  
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 176   176     1.0   0.629  
 177   177     1.0   0.624  
 178   178     1.0   0.604  
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 180   180     1.0   0.630  
 181   181  0.6667   0.455  
 182   182     1.0   0.605  
 183   183  0.8571   0.525  
 184   184     1.0   0.603  
 185   185     1.0   0.597  
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 187   187  0.7273   0.507  
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 189   189  0.4444   0.385  
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 191   191  0.7143   0.323  
 192   192   0.625   0.402  
 193   193  0.8333   0.539  
 194   194  0.6667   0.337  
 195   195    0.75   0.393  
 196   196   0.875   0.516  
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 198   198     1.0   0.550  
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 200   200  0.8571   0.515  
 201   201  0.6667   0.424  
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 211   211  0.6667   0.433  
 212   212   0.625   0.466  
 213   213    0.75   0.404  
 214   214     1.0   0.558  
 215   215   0.625   0.472  
 216   216     0.5   0.438  
 217   217  0.9286   0.535  
 218   218  0.8333   0.536  
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 220   220    0.75   0.546  
 221   221   0.875   0.598  
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 223   223     1.0   0.550  
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 225   225     1.0   0.597  
 226   226     1.0   0.593  
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 228   228  0.8333   0.535  
 229   229  0.7273   0.568  
 230   230     1.0   0.599  
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 232   232     1.0   0.611  
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 235   235     1.0   0.617  
 236   236  0.8571   0.479  
 237   237  0.8571   0.533  
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 239   239   0.875   0.574  
 240   240     1.0   0.612  
 241   241   0.875   0.525  
 242   242     1.0   0.562  
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 245   245     1.0   0.600  
 246   246   0.375   0.455  
 247   247  0.6667   0.447  
 248   248  0.4444   0.440  
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 253   253  0.9091   0.583  
 254   254    0.75   0.556  
 255   255  0.5556   0.388  
 256   256  0.9091   0.568  
 257   257  0.9091   0.565  
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 260   260     1.0   0.557  
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 262   262    0.75   0.475  
 263   263     1.0   0.544  
 264   264     1.0   0.618  
 265   265     1.0   0.611  
 266   266     1.0   0.564  
 267   267    0.75   0.586  
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 269   269     1.0   0.581  
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 271   271     1.0   0.578  
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 276   276     1.0   0.599  
 277   277     1.0   0.562  
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 282   282     1.0   0.593  
 283   283     1.0   0.574  
 284   284     1.0   0.585  
 285   285     0.9   0.618  
 286   286     1.0   0.607  
 287   287     1.0   0.602  
 288   288     1.0   0.577  
 289   289     1.0   0.515  
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 291   291  0.7143   0.523  
 292   292    0.75   0.572  
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 294   294     1.0   0.621  
 295   295  0.6667   0.523  
 296   296     1.0   0.616  
 297   297     1.0   0.562  
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 299   299  0.7778   0.596  
 300   300     1.0   0.620  
 301   301  0.8571   0.524  
 302   302     1.0   0.572  
 303   303     1.0   0.542  
 304   304    0.75   0.500  
 305   305     1.0   0.608  
 306   306     1.0   0.555  
 307   307     1.0   0.567  
 308   308     1.0   0.659  
 309   309  0.7778   0.502  
 310   310   0.875   0.579  
 311   311     1.0   0.607  
 312   312  0.9167   0.570  
 313   313     1.0   0.632  
 314   314     1.0   0.603  
 315   315  0.8182   0.546  
 316   316  0.8182   0.578  
 317   317     1.0   0.609  
 318   318  0.7143   0.576  
 319   319   0.875   0.566  
 320   320  0.6667   0.523  
 321   321     1.0   0.626  
 322   322     1.0   0.595  
 323   323  0.9091   0.605  
 324   324     1.0   0.583  
 325   325     1.0   0.563  
 326   326     1.0   0.628  
 327   327     1.0   0.619  
 328   328     1.0   0.597  
 329   329     1.0   0.563  
 330   330  0.6667   0.581  
 331   331     1.0   0.608  
 332   332  0.5714   0.497  
 333   333  0.5556   0.561  
 334   334  0.7778   0.516  
 335   335     1.0   0.583  
 336   336     1.0   0.638  
 337   337   0.875   0.588  
 338   338  0.9091   0.611  
 339   339     1.0   0.604  
 340   340     1.0   0.518  
 341   341     1.0   0.578  
 342   342     1.0   0.600  
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 344   344  0.8571   0.506  
 345   345   0.875   0.570  
 346   346   0.875   0.551  
 347   347     1.0   0.595  
 348   348   0.875   0.541  
 349   349     1.0   0.639  
 350   350     1.0   0.626  
 351   351    0.75   0.547  
 352   352     1.0   0.603  
 353   353  0.7778   0.547  
 354   354  0.7778   0.546  
 355   355   0.875   0.571  
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 357   357     1.0   0.577  
 358   358     1.0   0.578  
 359   359  0.4444   0.487  
 360   360  0.7143   0.463  
 361   361     0.5   0.481  
 362   362     1.0   0.520  
 363   363  0.5455   0.501  
 364   364     1.0   0.591  
 365   365     0.5   0.440  
 366   366     1.0   0.599  
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 368   368    0.75   0.456  
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 373   373     0.8   0.550  
 374   374  0.8889   0.547  
 375   375     0.8   0.540  
 376   376   0.875   0.528  
 377   377  0.8571   0.556  
 378   378     1.0   0.604  
 379   379  0.8571   0.587  
 380   380  0.8571   0.558  
 381   381  0.8333   0.566  
 382   382  0.9167   0.608  
 383   383     0.8   0.526  
 384   384  0.8333   0.534  
 385   385  0.9091   0.540  
 386   386   0.875   0.537  
 387   387     0.8   0.540  
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 389   389  0.8571   0.527  
 390   390   0.875   0.613  
 391   391   0.875   0.562  
 392   392   0.875   0.589  
 393   393  0.9167   0.617  
 394   394  0.8889   0.608  
 395   395  0.6667   0.428  
 396   396     1.0   0.625  
 397   397   0.875   0.585  
 398   398     1.0   0.617  
 399   399  0.8889   0.571  
 400   400    0.75   0.536  
 401   401   0.875   0.587  
 402   402     1.0   0.579  
 403   403  0.9286   0.599  
 404   404   0.875   0.543  
 405   405   0.875   0.555  
 406   406  0.5556   0.462  
 407   407   0.875   0.585  
 408   408   0.875   0.553  
 409   409  0.8889   0.579  
 410   410   0.625   0.459  
 411   411     0.5   0.471  
 412   412  0.8333   0.453  
 413   413   0.875   0.552  
 414   414  0.5556   0.441  
 415   415  0.7143   0.456  
 416   416  0.8571   0.531  
 417   417     0.6   0.346  
 418   418  0.6667   0.474  
 419   419  0.7778   0.457  
 420   420  0.8571   0.410  
 421   421  0.5556   0.470  
 422   422  0.7143   0.483  
 423   423  0.7143   0.289  
 424   424   0.375   0.357  
 425   425  0.8571   0.439  
 426   426   0.875   0.462  
 427   427    0.75   0.482  
 428   428  0.5455   0.351  
 429   429  0.6667   0.361  
 430   430   0.625   0.354  
 431   431  0.2727   0.284  
 432   432     0.5   0.355  
 433   433   0.625   0.342  
 434   434  0.6667   0.392  
 435   435  0.5556   0.444  
 436   436  0.4286   0.366  
 437   437  0.5714   0.228  
 438   438  0.5556   0.497  
 439   439  0.4286   0.451  
 440   440  0.3333  -0.001  
 441   441  0.6667   0.276  
 442   442     0.4   0.380  
 443   443     0.5   0.487  
 444   444     0.6   0.314  
 445   445   0.625   0.293  
 446   446     0.5   0.311  
 447   447   0.625   0.223  
 448   448   0.875   0.395  
 449   449     0.4   0.189  
 450   450  0.4286   0.018  
 451   451  0.6667   0.460  
 452   452    0.75   0.475  
 453   453   0.375   0.194  
 454   454  0.3636   0.322  
 455   455   0.625   0.487  
 456   456  0.8333   0.485  
 457   457  0.3333   0.201  
 458   458  0.6667   0.288  
 459   459  0.6667   0.277  
 460   460    0.75   0.406  
 461   461  0.7143   0.465  
 462   462    0.75   0.536  
 463   463  0.4444   0.376  
 464   464  0.4286   0.375  
 465   465  0.6667   0.433  
 466   466   0.875   0.475  
 467   467  0.4444   0.493  
 468   468     1.0   0.549  
 469   469    0.75   0.535  
 470   470   0.625   0.369  
 471   471  0.8333   0.447  
 472   472     1.0   0.609  
 473   473   0.875   0.560  
 474   474  0.8333   0.418  
 475   475  0.8571   0.501  
 476   476     1.0   0.615  
 477   477     1.0   0.590  
 478   478     1.0   0.556  
 479   479   0.875   0.558  
 480   480     0.8   0.550  
 481   481    0.75   0.457  
 482   482     0.8   0.488  
 483   483     1.0   0.569  
 484   484     0.8   0.496  
 485   485     1.0   0.606  
 486   486  0.8889   0.510  
 487   487  0.7778   0.598  
 488   488     1.0   0.591  
 489   489     1.0   0.625  
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 491   491     1.0   0.663  
 492   492  0.8889   0.565  
 493   493   0.625   0.524  
 494   494  0.9091   0.623  
 495   495     1.0   0.618  
 496   496  0.8571   0.556  
 497   497  0.7778   0.511  
 498   498  0.8889   0.607  
 499   499     1.0   0.594  
 500   500  0.8889   0.516  
 501   501  0.8571   0.569  
 502   502   0.875   0.590  
 503   503     1.0   0.553  
 504   504    0.75   0.549  
 505   505     1.0   0.589  
 506   506     1.0   0.609  
 507   507  0.8571   0.535  
 508   508  0.6667   0.324  
 509   509     1.0   0.563  
 510   510     1.0   0.589  
 511   511  0.8333   0.446  
 512   512     1.0   0.506  
 513   513     1.0   0.580  
 514   514  0.8889   0.577  
 515   515  0.8889   0.574  
 516   516   0.625   0.490  
 517   517  0.6667   0.458  
 518   518     0.6   0.458  
 519   519  0.4444   0.507  
 520   520  0.5455   0.437  
 521   521  0.4545   0.518  
 522   522   0.875   0.518  
 523   523     0.8   0.605  
 524   524  0.9167   0.546  
 525   525   0.875   0.589  
 526   526  0.5556   0.460  
 527   527  0.6667   0.473  
 528   528  0.8889   0.507  
 529   529   0.625   0.502  
 530   530     0.9   0.565  
 531   531     1.0   0.620  
 532   532  0.9091   0.586  
 533   533     0.5   0.442  
 534   534     1.0   0.605  
 535   535  0.7778   0.548  
 536   536  0.8889   0.538  
 537   537   0.875   0.542  
 538   538  0.8333   0.565  
 539   539  0.8333   0.552  
 540   540     1.0   0.623  
 541   541     0.8   0.538  
 542   542     1.0   0.556  
 543   543     1.0   0.598  
 544   544     1.0   0.576  
 545   545     1.0   0.589  
 546   546     1.0   0.537  
 547   547     1.0   0.592  
 548   548  0.9091   0.617  
 549   549     1.0   0.601  
 550   550   0.875   0.495  
 551   551  0.5556   0.411  
 552   552  0.8333   0.600  
 553   553  0.8571   0.490  
 554   554  0.6667   0.504  
 555   555  0.7778   0.565  
 556   556  0.9167   0.582  
 557   557  0.7778   0.557  
 558   558     0.8   0.589  
 559   559  0.9091   0.587  
 560   560   0.875   0.563  
 561   561   0.875   0.512  
 562   562  0.8889   0.532  
 563   563  0.8333   0.539  
 564   564  0.6667   0.501  
 565   565  0.6667   0.510  
 566   566     1.0   0.604  
 567   567   0.875   0.518  
 568   568  0.8182   0.569  
 569   569  0.8889   0.545  
 570   570   0.875   0.521  
 571   571     1.0   0.575  
 572   572     0.9   0.578  
 573   573     1.0   0.574  
 574   574     1.0   0.602  
 575   575  0.7778   0.541  
 576   576  0.6667   0.553  
 577   577   0.875   0.535  
 578   578   0.875   0.543  
 579   579  0.6667   0.470  
 580   580     1.0   0.582  
 581   581     1.0   0.601  
 582   582   0.875   0.545  
 583   583  0.7778   0.557  
 584   584     1.0   0.524  
 585   585  0.7273   0.479  
 586   586   0.375   0.434  
 587   587     1.0   0.547  
 588   588  0.4444   0.482  
 589   589  0.4444   0.469  
 590   590  0.5556   0.464  
 591   591  0.8571   0.513  
 592   592     0.5   0.323  
 593   593  0.3333   0.116  
 594   594     0.5   0.441  
 595   595  0.4444   0.371  
 596   596  0.5556   0.242  
 597   597  0.4167   0.284  
 598   598  0.7143   0.370  
 599   599   0.375   0.425  
 600   600  0.4444   0.316  
 601   601   0.625   0.466  
 602   602  0.4444   0.280  
 603   603     0.0   0.329  
 604   604  0.4286   0.219  
 605   605     0.5   0.410  
 606   606   0.375   0.503  
 607   607    0.75   0.563  
 608   608  0.8571   0.577  
 609   609  0.7778   0.490  
 610   610     1.0   0.483  
 611   611   0.875   0.497  
 612   612  0.8182   0.585  
 613   613  0.8333   0.507  
 614   614     0.5   0.358  
 615   615    0.75   0.469  
 616   616  0.7778   0.531  
 617   617  0.8333   0.563  
 618   618  0.7143   0.497  
 619   619  0.8333   0.523  
 620   620   0.875   0.519  
 621   621     0.9   0.575  
 622   622     1.0   0.601  
 623   623     1.0   0.622  
 624   624    0.75   0.505  
 625   625    0.75   0.517  
 626   626  0.6667   0.575  
 627   627    0.75   0.518  
 628   628   0.875   0.475  
 629   629     1.0   0.599  
 630   630     1.0   0.620  
 631   631  0.6667   0.502  
 632   632     1.0   0.537  
 633   633     0.8   0.561  
 634   634  0.4286   0.387  
 635   635     0.8   0.540  
 636   636   0.625   0.529  
 637   637  0.7143   0.520  
 638   638  0.9091   0.572  
 639   639  0.8182   0.489  
 640   640     1.0   0.589  
 641   641     1.0   0.605  
 642   642     1.0   0.618  
 643   643     1.0   0.592  
 644   644     1.0   0.584  
 645   645     1.0   0.568  
 646   646    0.75   0.524  
 647   647     0.5   0.473  
 648   648     1.0   0.626  
 649   649  0.9091   0.579  
 650   650     1.0   0.590  
 651   651   0.875   0.565  
 652   652  0.7778   0.566  
 653   653  0.8571   0.513  
 654   654  0.9091   0.513  
 655   655     1.0   0.472  
 656   656   0.625   0.403  
 657   657  0.2857   0.257  
 658   658    0.25   0.358  
 659   659  0.5714   0.286  
 660   660  0.4444   0.294  
 661   661   0.375   0.471  
 662   662  0.2727   0.415  
 663   663  0.3333   0.525  
 664   664  0.8182   0.571  
 665   665  0.5556   0.367  
 666   666  0.7143   0.521  
 667   667    0.75   0.470  
 668   668  0.6667   0.506  
 669   669  0.6667   0.517  
 670   670    0.75   0.541  
 671   671   0.875   0.522  
 672   672     1.0   0.621  
 673   673  0.7778   0.567  
 674   674     1.0   0.599  
 675   675     1.0   0.585  
 676   676     1.0   0.566  
 677   677  0.7778   0.542  
 678   678    0.75   0.507  
 679   679  0.9091   0.597  
 680   680     0.8   0.589  
 681   681    0.75   0.519  
 682   682  0.5556   0.525  
 683   683  0.6667   0.368  
 684   684  0.7778   0.540  
 685   685  0.8571   0.514  
 686   686  0.5714   0.401  
 687   687  0.8571   0.376  
 688   688  0.4545   0.376  
 689   689     1.0   0.558  
 690   690  0.5556   0.483  
 691   691  0.8571   0.522  
 692   692    0.75   0.545  
 693   693    0.75   0.535  
 694   694   0.875   0.532  
 695   695  0.6667   0.561  
 696   696  0.9091   0.589  
 697   697     1.0   0.573  
 698   698     1.0   0.644  
 699   699     1.0   0.647  
 700   700     1.0   0.608  
 701   701     1.0   0.514  
 702   702   0.875   0.559  
 703   703  0.9167   0.572  
 704   704  0.8571   0.537  
 705   705     1.0   0.555  
 706   706     1.0   0.641  
 707   707  0.7778   0.452  
 708   708  0.6667   0.546  
 709   709  0.8571   0.509  
 710   710     1.0   0.609  
 711   711     1.0   0.600  
 712   712     1.0   0.602  
 713   713     1.0   0.609  
 714   714     1.0   0.578  
 715   715     1.0   0.610  
 716   716  0.8571   0.520  
 717   717  0.7778   0.553  
 718   718  0.8333   0.404  
 719   719  0.7778   0.521  
 720   720  0.9091   0.627  
 721   721     1.0   0.626  
 722   722   0.875   0.573  
 723   723     1.0   0.561  
 724   724     1.0   0.609  
 725   725     1.0   0.601  
 726   726   0.875   0.528  
 727   727  0.8571   0.563  
 728   728     1.0   0.527  
 729   729     1.0   0.538  
 730   730    0.75   0.539  
 731   731   0.875   0.470  
 732   732     1.0   0.573  
 733   733     1.0   0.560  
 734   734     1.0   0.567  
 735   735  0.9091   0.494  
 736   736  0.6667   0.495  
 737   737   0.875   0.551  
 738   738     1.0   0.573  
 739   739     1.0   0.540  
 740   740  0.8571   0.533  
 741   741     1.0   0.602  
 742   742  0.6364   0.444  
 743   743   0.875   0.593  
 744   744    0.75   0.488  
 745   745  0.7778   0.465  
 746   746     1.0   0.633  
 747   747     1.0   0.539  
 748   748     1.0   0.602  
 749   749     1.0   0.609  
 750   750     1.0   0.619  
 751   751  0.8182   0.585  
 752   752     1.0   0.546  
 753   753   0.875   0.546  
 754   754     1.0   0.585  
 755   755  0.6667   0.443  
 756   756    0.75   0.459  
 757   757     1.0   0.584  
 758   758  0.6667   0.537  
 759   759     1.0   0.586  
 760   760  0.8571   0.560  
 761   761     1.0   0.619  
 762   762  0.7778   0.573  
 763   763     1.0   0.610  
 764   764  0.7143   0.499  
 765   765     0.5   0.368  
 766   766     1.0   0.587  
 767   767    0.75   0.506  
 768   768     1.0   0.639  
 769   769  0.8571   0.514  
 770   770  0.6667   0.457  
 771   771  0.7778   0.496  
 772   772     1.0   0.628  
 773   773   0.625   0.480  
 774   774     1.0   0.465  
 775   775  0.7143   0.443  
 776   776   0.625   0.516  
 777   777     0.4   0.454  
 778   778  0.7143   0.474  
 779   779     1.0   0.547  
 780   780   0.875   0.548  
 781   781     1.0   0.599  
 782   782  0.9286   0.586  
 783   783     1.0   0.543  
 784   784    0.75   0.516  
 785   785     1.0   0.592  
 786   786     1.0   0.593  
 787   787     1.0   0.556  
 788   788  0.9091   0.572  
 789   789     1.0   0.588  
 790   790     1.0   0.623  
 791   791     1.0   0.627  
 792   792     1.0   0.598  
 793   793     1.0   0.533  
 794   794     1.0   0.626  
 795   795  0.8333   0.500  
 796   796     1.0   0.603  
 797   797  0.8571   0.519  
 798   798     1.0   0.601  
 799   799     1.0   0.584  
 800   800     1.0   0.510  
 801   801  0.7273   0.514  
 802   802  0.5556   0.506  
 803   803  0.5556   0.407  
 804   804  0.6667   0.398  
 805   805  0.7143   0.343  
 806   806   0.625   0.426  
 807   807  0.9167   0.527  
 808   808  0.6667   0.349  
 809   809   0.625   0.380  
 810   810   0.875   0.511  
 811   811  0.5714   0.311  
 812   812     1.0   0.533  
 813   813     1.0   0.503  
 814   814  0.8571   0.514  
 815   815  0.8333   0.436  
 816   816    0.75   0.512  
 817   817     1.0   0.570  
 818   818     1.0   0.573  
 819   819     1.0   0.546  
 820   820     1.0   0.618  
 821   821  0.8571   0.508  
 822   822     1.0   0.552  
 823   823  0.6667   0.539  
 824   824     0.6   0.443  
 825   825  0.5556   0.420  
 826   826   0.625   0.438  
 827   827    0.75   0.431  
 828   828  0.8571   0.545  
 829   829    0.75   0.502  
 830   830     0.5   0.436  
 831   831  0.9286   0.527  
 832   832  0.8333   0.518  
 833   833     1.0   0.628  
 834   834    0.75   0.550  
 835   835   0.875   0.557  
 836   836  0.8571   0.540  
 837   837     1.0   0.605  
 838   838     1.0   0.608  
 839   839     1.0   0.599  
 840   840     1.0   0.592  
 841   841     1.0   0.581  
 842   842  0.8333   0.492  
 843   843  0.7273   0.563  
 844   844     1.0   0.624  
 845   845   0.875   0.536  
 846   846  0.8889   0.599  
 847   847  0.7143   0.464  
 848   848     1.0   0.620  
 849   849     1.0   0.604  
 850   850  0.8571   0.496  
 851   851  0.8571   0.525  
 852   852  0.8571   0.542  
 853   853   0.875   0.595  
 854   854     1.0   0.597  
 855   855   0.875   0.533  
 856   856     1.0   0.612  
 857   857     1.0   0.592  
 858   858  0.5556   0.386  
 859   859     1.0   0.647  
 860   860   0.375   0.486  
 861   861  0.6667   0.432  
 862   862  0.5556   0.452  
 863   863  0.5556   0.552  
 864   864  0.8333   0.515  
 865   865     1.0   0.548  
 866   866    0.75   0.454  
 867   867  0.9091   0.590  
 868   868   0.875   0.560  
 869   869  0.6667   0.395  
 870   870  0.9091   0.577  
 871   871  0.9091   0.590  
 872   872     1.0   0.587  
 873   873  0.5556   0.437  
 874   874     1.0   0.528  
 875   875  0.8333   0.524  
 876   876    0.75   0.500  
 877   877     1.0   0.556  
 878   878     1.0   0.616  
 879   879     1.0   0.605  
 880   880     1.0   0.590  
 881   881   0.875   0.558  
 882   882     1.0   0.587  
 883   883   0.875   0.591  
 884   884     1.0   0.643  
 885   885  0.8571   0.562  
 886   886     1.0   0.674  
 887   887  0.8333   0.593  
 888   888     1.0   0.600  
 889   889  0.8889   0.615  
 890   890     1.0   0.591  
 891   891     1.0   0.552  
 892   892  0.7143   0.528  
 893   893     1.0   0.596  
 894   894     1.0   0.637  
 895   895     1.0   0.640  
 896   896     1.0   0.611  
 897   897     1.0   0.571  
 898   898     1.0   0.590  
 899   899     0.9   0.622  
 900   900     1.0   0.600  
 901   901     1.0   0.602  
 902   902     1.0   0.556  
 903   903  0.8571   0.539  
 904   904     0.8   0.475  
 905   905  0.7143   0.504  
 906   906   0.875   0.548  
 907   907  0.9091   0.578  
 908   908     1.0   0.604  
 909   909  0.5556   0.522  
 910   910     1.0   0.622  
 911   911     1.0   0.562  
 912   912  0.9167   0.533  
 913   913  0.8889   0.598  
 914   914     1.0   0.612  
 915   915  0.8571   0.537  
 916   916     1.0   0.590  
 917   917     1.0   0.556  
 918   918    0.75   0.505  
 919   919     1.0   0.594  
 920   920     1.0   0.539  
 921   921     1.0   0.605  
 922   922     1.0   0.654  
 923   923  0.6667   0.509  
 924   924   0.875   0.585  
 925   925   0.875   0.574  
 926   926  0.9167   0.585  
 927   927  0.8889   0.630  
 928   928     1.0   0.627  
 929   929  0.9091   0.520  
 930   930  0.8182   0.576  
 931   931   0.875   0.601  
 932   932  0.8571   0.553  
 933   933     1.0   0.549  
 934   934  0.6667   0.524  
 935   935     1.0   0.630  
 936   936     1.0   0.544  
 937   937  0.9091   0.624  
 938   938     1.0   0.597  
 939   939     1.0   0.565  
 940   940     1.0   0.629  
 941   941     1.0   0.601  
 942   942     1.0   0.577  
 943   943     1.0   0.600  
 944   944  0.6667   0.580  
 945   945     1.0   0.570  
 946   946  0.5714   0.465  
 947   947  0.5556   0.565  
 948   948  0.5556   0.498  
 949   949     1.0   0.570  
 950   950     1.0   0.629  
 951   951   0.875   0.559  
 952   952     1.0   0.623  
 953   953     1.0   0.580  
 954   954     1.0   0.565  
 955   955     1.0   0.587  
 956   956     1.0   0.599  
 957   957  0.4444   0.509  
 958   958     1.0   0.528  
 959   959   0.875   0.568  
 960   960   0.875   0.578  
 961   961     1.0   0.563  
 962   962   0.875   0.567  
 963   963     1.0   0.608  
 964   964     1.0   0.617  
 965   965    0.75   0.536  
 966   966     1.0   0.593  
 967   967  0.6667   0.541  
 968   968  0.7778   0.547  
 969   969   0.875   0.567  
 970   970  0.6667   0.498  
 971   971     1.0   0.587  
 972   972     1.0   0.550  
 973   973  0.4444   0.476  
 974   974  0.7143   0.440  
 975   975     0.5   0.485  
 976   976     1.0   0.564  
 977   977  0.5455   0.440  
 978   978     1.0   0.579  
 979   979   0.625   0.422  
 980   980     1.0   0.582  
 981   981   0.625   0.487  
 982   982    0.75   0.451  
 983   983   0.625   0.520  
 984   984     0.8   0.559  
 985   985  0.6667   0.523  
 986   986    0.75   0.534  
 987   987     0.8   0.575  
 988   988  0.8889   0.582  
 989   989     0.8   0.583  
 990   990   0.875   0.523  
 991   991     1.0   0.562  
 992   992     1.0   0.674  
 993   993     1.0   0.576  
 994   994  0.8571   0.557  
 995   995     1.0   0.574  
 996   996     1.0   0.594  
 997   997     0.8   0.553  
 998   998     1.0   0.542  
 999   999  0.9091   0.566  
1000  1000   0.875   0.543  
1001  1001     0.8   0.561  
1002  1002     1.0   0.593  
1003  1003  0.8571   0.566  
1004  1004     1.0   0.607  
1005  1005     1.0   0.550  
1006  1006     1.0   0.590  
1007  1007     1.0   0.612  
1008  1008  0.8889   0.594  
1009  1009  0.7778   0.449  
1010  1010     1.0   0.617  
1011  1011     1.0   0.595  
1012  1012     1.0   0.635  
1013  1013     1.0   0.582  
1014  1014     1.0   0.581  
1015  1015     1.0   0.579  
1016  1016     1.0   0.569  
1017  1017  0.9286   0.614  
1018  1018   0.875   0.550  
1019  1019     1.0   0.535  
1020  1020  0.5556   0.487  
1021  1021     1.0   0.583  
1022  1022   0.875   0.522  
1023  1023  0.8889   0.587  
1024  1024   0.625   0.485  
1025  1025   0.625   0.438  
1026  1026  0.8333   0.452  
1027  1027   0.875   0.572  
1028  1028  0.5556   0.382  
1029  1029  0.8571   0.439  
1030  1030     1.0   0.492  
1031  1031     0.6   0.344  
1032  1032  0.7778   0.484  
1033  1033  0.7778   0.431  
1034  1034  0.7143   0.390  
1035  1035  0.5556   0.492  
1036  1036  0.8571   0.468  
1037  1037  0.5714   0.285  
1038  1038   0.375   0.360  
1039  1039  0.8571   0.429  
1040  1040    0.75   0.430  
1041  1041     0.5   0.530  
1042  1042  0.5455   0.296  
1043  1043  0.6667   0.365  
1044  1044   0.625   0.320  
1045  1045  0.2727   0.242  
1046  1046     0.5   0.356  
1047  1047    0.75   0.344  
1048  1048  0.5556   0.310  
1049  1049  0.4444   0.428  
1050  1050  0.5714   0.402  
1051  1051  0.5714   0.198  
1052  1052  0.4444   0.486  
1053  1053  0.5714   0.419  
1054  1054    0.25   0.005  
1055  1055  0.7778   0.299  
1056  1056     0.2   0.407  
1057  1057    0.75   0.517  
1058  1058     0.6   0.330  
1059  1059     0.5   0.218  
1060  1060     0.5   0.323  
1061  1061   0.625   0.246  
1062  1062   0.625   0.308  
1063  1063     0.4   0.227  
1064  1064  0.4286   0.109  
1065  1065  0.6667   0.421  
1066  1066    0.75   0.409  
1067  1067   0.375   0.213  
1068  1068  0.5455   0.312  
1069  1069    0.75   0.470  
1070  1070  0.8333   0.464  
1071  1071  0.3333   0.214  
1072  1072     0.5   0.210  
1073  1073  0.5556   0.277  
1074  1074    0.75   0.471  
1075  1075  0.8571   0.493  
1076  1076   0.625   0.504  
1077  1077  0.4444   0.370  
1078  1078  0.4286   0.400  
1079  1079  0.8333   0.432  
1080  1080   0.875   0.510  
1081  1081  0.5556   0.517  
1082  1082    0.75   0.566  
1083  1083    0.75   0.550  
1084  1084   0.625   0.411  
1085  1085  0.8333   0.497  
1086  1086     1.0   0.611  
1087  1087     1.0   0.615  
1088  1088  0.8333   0.445  
1089  1089  0.8571   0.496  
1090  1090     1.0   0.597  
1091  1091     1.0   0.592  
1092  1092     1.0   0.572  
1093  1093     1.0   0.559  
1094  1094     0.8   0.533  
1095  1095    0.75   0.453  
1096  1096     0.8   0.478  
1097  1097  0.9286   0.574  
1098  1098     0.8   0.518  
1099  1099     0.9   0.591  
1100  1100  0.8889   0.505  
1101  1101  0.7778   0.581  
1102  1102     1.0   0.616  
1103  1103     1.0   0.596  
1104  1104     0.9   0.614  
1105  1105     1.0   0.629  
1106  1106  0.8889   0.575  
1107  1107   0.625   0.531  
1108  1108  0.9091   0.609  
1109  1109   0.875   0.586  
1110  1110  0.8571   0.503  
1111  1111  0.6667   0.492  
1112  1112  0.7778   0.588  
1113  1113     1.0   0.591  
1114  1114  0.8889   0.505  
1115  1115  0.8571   0.534  
1116  1116   0.875   0.593  
1117  1117   0.875   0.553  
1118  1118    0.75   0.547  
1119  1119     1.0   0.603  
1120  1120   0.875   0.602  
1121  1121  0.8571   0.499  
1122  1122  0.6667   0.321  
1123  1123     1.0   0.565  
1124  1124     1.0   0.584  
1125  1125  0.9167   0.470  
1126  1126  0.8889   0.497  
1127  1127     1.0   0.592  
1128  1128  0.8889   0.585  
1129  1129  0.8889   0.595  
1130  1130    0.75   0.518  
1131  1131  0.6667   0.486  
1132  1132     0.8   0.437  
1133  1133  0.5556   0.475  
1134  1134  0.5455   0.446  
1135  1135  0.4545   0.521  
1136  1136   0.875   0.503  
1137  1137     0.8   0.616  
1138  1138  0.9167   0.535  
1139  1139   0.875   0.571  
1140  1140  0.6667   0.467  
1141  1141  0.6667   0.492  
1142  1142  0.8889   0.515  
1143  1143   0.875   0.540  
1144  1144     0.9   0.580  
1145  1145     1.0   0.596  
1146  1146  0.9091   0.578  
1147  1147     0.5   0.474  
1148  1148  0.8889   0.587  
1149  1149  0.7778   0.544  
1150  1150  0.8889   0.569  
1151  1151     1.0   0.548  
1152  1152  0.9167   0.570  
1153  1153  0.8333   0.527  
1154  1154     1.0   0.613  
1155  1155     1.0   0.546  
1156  1156     1.0   0.540  
1157  1157     1.0   0.579  
1158  1158     1.0   0.586  
1159  1159     1.0   0.564  
1160  1160  0.8571   0.494  
1161  1161     1.0   0.592  
1162  1162     1.0   0.606  
1163  1163     1.0   0.552  
1164  1164   0.875   0.467  
1165  1165  0.5556   0.396  
1166  1166     1.0   0.612  
1167  1167  0.8571   0.537  
1168  1168  0.7778   0.543  
1169  1169  0.7778   0.577  
1170  1170  0.9167   0.588  
1171  1171  0.7778   0.543  
1172  1172     1.0   0.569  
1173  1173     1.0   0.575  
1174  1174   0.875   0.572  
1175  1175   0.875   0.520  
1176  1176  0.8889   0.546  
1177  1177  0.8333   0.564  
1178  1178  0.6667   0.506  
1179  1179  0.7778   0.520  
1180  1180     1.0   0.601  
1181  1181   0.875   0.545  
1182  1182  0.9091   0.581  
1183  1183  0.8889   0.561  
1184  1184     1.0   0.571  
1185  1185     1.0   0.559  
1186  1186     0.9   0.585  
1187  1187     1.0   0.598  
1188  1188     1.0   0.641  
1189  1189  0.7778   0.555  
1190  1190  0.6667   0.541  
1191  1191   0.875   0.546  
1192  1192   0.875   0.516  
1193  1193  0.6667   0.458  
1194  1194     1.0   0.558  
1195  1195     1.0   0.598  
1196  1196   0.875   0.537  
1197  1197  0.7778   0.535  
1198  1198     1.0   0.551  
1199  1199  0.7273   0.487  
1200  1200   0.375   0.384  
1201  1201     1.0   0.518  
1202  1202  0.4444   0.511  
1203  1203  0.4444   0.425  
1204  1204  0.5556   0.456  
1205  1205  0.7143   0.527  
1206  1206     0.5   0.278  
1207  1207  0.3333   0.133  
1208  1208     0.5   0.442  
1209  1209  0.3333   0.387  
1210  1210  0.4444   0.232  
1211  1211     0.5   0.264  
1212  1212  0.5714   0.377  
1213  1213     0.5   0.448  
1214  1214  0.5556   0.338  
1215  1215   0.625   0.471  
1216  1216  0.4444   0.276  
1217  1217     0.0   0.356  
1218  1218  0.5714   0.227  
1219  1219   0.375   0.372  
1220  1220   0.375   0.452  
1221  1221    0.75   0.587  
1222  1222     1.0   0.555  
1223  1223  0.7778   0.486  
1224  1224     1.0   0.554  
1225  1225    0.75   0.560  
1226  1226  0.7273   0.564  
1227  1227     1.0   0.476  
1228  1228     0.5   0.343  
#
_pdbx_vrpt_em_details.ordinal                    1
_pdbx_vrpt_em_details.recommended_contour_level  0.048
#
loop_
_pdbx_vrpt_em_graph_atom_inclusion.graph_id
_pdbx_vrpt_em_graph_atom_inclusion.type
atom_inclusion_all_atoms  all_atoms  
atom_inclusion_backbone   backbone   
#
loop_
_pdbx_vrpt_em_resolution_intersections.ordinal
_pdbx_vrpt_em_resolution_intersections.resolution_units
_pdbx_vrpt_em_resolution_intersections.spatial_frequency_units
_pdbx_vrpt_em_resolution_intersections.correlation
_pdbx_vrpt_em_resolution_intersections.resolution
_pdbx_vrpt_em_resolution_intersections.spatial_frequency
_pdbx_vrpt_em_resolution_intersections.curve
_pdbx_vrpt_em_resolution_intersections.type
1  A  1/A  0.0153  3.03  0.3298  author_provided_fsc  threesigma  
2  A  1/A  0.1798  3.35  0.2984  author_provided_fsc  halfbit     
3  A  1/A   0.341  3.52  0.2838  author_provided_fsc  onebit      
4  A  1/A     0.5  3.74  0.2672  author_provided_fsc  0.5         
5  A  1/A   0.333  3.51   0.285  author_provided_fsc  0.333       
6  A  1/A   0.143  3.31  0.3025  author_provided_fsc  0.143       
#
_pdbx_vrpt_em_graph_fsc_curve.graph_id    author_provided_fsc
_pdbx_vrpt_em_graph_fsc_curve.type        "half_map to half_map fsc"
_pdbx_vrpt_em_graph_fsc_curve.curve_name  author_provided_fsc
#
loop_
_pdbx_vrpt_em_graph_fsc_indicator_curve.graph_id
_pdbx_vrpt_em_graph_fsc_indicator_curve.type
_pdbx_vrpt_em_graph_fsc_indicator_curve.curve_name
_pdbx_vrpt_em_graph_fsc_indicator_curve.data_curve_name
author_provided_fsc_threesigma  threesigma  author_provided_fsc_threesigma  author_provided_fsc  
author_provided_fsc_halfbit     halfbit     author_provided_fsc_halfbit     author_provided_fsc  
author_provided_fsc_onebit      onebit      author_provided_fsc_onebit      author_provided_fsc  
author_provided_fsc_0.5         0.5         author_provided_fsc_0.5         author_provided_fsc  
author_provided_fsc_0.333       0.333       author_provided_fsc_0.333       author_provided_fsc  
author_provided_fsc_0.143       0.143       author_provided_fsc_0.143       author_provided_fsc  
#
loop_
_pdbx_vrpt_em_2d_graph_info.graph_data_id
_pdbx_vrpt_em_2d_graph_info.graph_id
_pdbx_vrpt_em_2d_graph_info.title
_pdbx_vrpt_em_2d_graph_info.x_axis_title
_pdbx_vrpt_em_2d_graph_info.x_axis_scale
_pdbx_vrpt_em_2d_graph_info.x_axis_units
_pdbx_vrpt_em_2d_graph_info.y_axis_title
_pdbx_vrpt_em_2d_graph_info.y_axis_scale
_pdbx_vrpt_em_2d_graph_info.y_axis_units
d_dvd    map_value_distribution                ?                                                 Map-value            ?     .    "Number of voxels"                  log10  .    
d_raps   rotationally_averaged_power_spectrum  ?                                                 "Spatial frequency"  ?     1/A  Intensity                           log10  .    
d_ve     volume_estimate                       ?                                                 "Contour level"      ?     .    Volume                              ?      nm3  
d_ai_aa  atom_inclusion_all_atoms              ?                                                 "Contour level"      ?     .    "Fraction of model inside the map"  ?      .    
d_ai_bb  atom_inclusion_backbone               ?                                                 "Contour level"      ?     .    "Fraction of model inside the map"  ?      .    
fsc_1    author_provided_fsc                   "Author provided fsc"                             "Spatial frequency"  ?     1/A  "Correlation coefficient"           ?      .    
fsc_i_1  author_provided_fsc_threesigma        "Author provided fsc threesigma indicator curve"  "Spatial frequency"  ?     1/A  "Correlation coefficient"           ?      .    
fsc_i_2  author_provided_fsc_halfbit           "Author provided fsc halfbit indicator curve"     "Spatial frequency"  ?     1/A  "Correlation coefficient"           ?      .    
fsc_i_3  author_provided_fsc_onebit            "Author provided fsc onebit indicator curve"      "Spatial frequency"  ?     1/A  "Correlation coefficient"           ?      .    
fsc_i_4  author_provided_fsc_0.5               "Author provided fsc 0.5 indicator curve"         "Spatial frequency"  ?     1/A  "Correlation coefficient"           ?      .    
fsc_i_5  author_provided_fsc_0.333             "Author provided fsc 0.333 indicator curve"       "Spatial frequency"  ?     1/A  "Correlation coefficient"           ?      .    
fsc_i_6  author_provided_fsc_0.143             "Author provided fsc 0.143 indicator curve"       "Spatial frequency"  ?     1/A  "Correlation coefficient"           ?      .    
#
loop_
_pdbx_vrpt_em_2d_graph_data.ordinal
_pdbx_vrpt_em_2d_graph_data.graph_data_id
_pdbx_vrpt_em_2d_graph_data.x_value
_pdbx_vrpt_em_2d_graph_data.y_value
   1  d_dvd     -0.213609755      0.3010299957  
   2  d_dvd    -0.2091938145               0.0  
   3  d_dvd    -0.2047778739               0.0  
   4  d_dvd    -0.2003619333               0.0  
   5  d_dvd    -0.1959459927               0.0  
   6  d_dvd    -0.1915300521               0.0  
   7  d_dvd    -0.1871141116               0.0  
   8  d_dvd     -0.182698171      0.3010299957  
   9  d_dvd    -0.1782822304      0.3010299957  
  10  d_dvd    -0.1738662898               0.0  
  11  d_dvd    -0.1694503492      0.3010299957  
  12  d_dvd    -0.1650344086      0.3010299957  
  13  d_dvd    -0.1606184681       0.903089987  
  14  d_dvd    -0.1562025275               1.0  
  15  d_dvd    -0.1517865869      1.2041199827  
  16  d_dvd    -0.1473706463      1.1461280357  
  17  d_dvd    -0.1429547057      1.1461280357  
  18  d_dvd    -0.1385387652       1.414973348  
  19  d_dvd    -0.1341228246      1.5563025008  
  20  d_dvd     -0.129706884      1.6232492904  
  21  d_dvd    -0.1252909434      1.7923916895  
  22  d_dvd    -0.1208750028      1.8195439355  
  23  d_dvd    -0.1164590622      1.9493900066  
  24  d_dvd    -0.1120431217      2.0530784435  
  25  d_dvd    -0.1076271811      2.2552725051  
  26  d_dvd    -0.1032112405       2.361727836  
  27  d_dvd    -0.0987952999        2.42975228  
  28  d_dvd    -0.0943793593      2.5622928645  
  29  d_dvd    -0.0899634188      2.5843312244  
  30  d_dvd    -0.0855474782       2.709269961  
  31  d_dvd    -0.0811315376      2.8247764625  
  32  d_dvd     -0.076715597      2.8796692056  
  33  d_dvd    -0.0722996564      2.9637878273  
  34  d_dvd    -0.0678837159      3.0523090996  
  35  d_dvd    -0.0634677753      3.1092409686  
  36  d_dvd    -0.0590518347      3.1652443261  
  37  d_dvd    -0.0546358941      3.2284003587  
  38  d_dvd    -0.0502199535       3.280350693  
  39  d_dvd    -0.0458040129      3.3780343225  
  40  d_dvd    -0.0413880724      3.4602963268  
  41  d_dvd    -0.0369721318      3.5134839567  
  42  d_dvd    -0.0325561912      3.6014080605  
  43  d_dvd    -0.0281402506      3.7116385382  
  44  d_dvd      -0.02372431      3.8409838373  
  45  d_dvd    -0.0193083695      3.9904276585  
  46  d_dvd    -0.0148924289      4.1545761169  
  47  d_dvd    -0.0104764883      4.3470176013  
  48  d_dvd    -0.0060605477      4.6217784737  
  49  d_dvd    -0.0016446071      7.0128387848  
  50  d_dvd     0.0027713334      4.6164755139  
  51  d_dvd      0.007187274      4.4594678796  
  52  d_dvd     0.0116032146      4.3520280748  
  53  d_dvd     0.0160191552      4.2561402266  
  54  d_dvd     0.0204350958       4.167258243  
  55  d_dvd     0.0248510364      4.0884904702  
  56  d_dvd     0.0292669769      4.0031157171  
  57  d_dvd     0.0336829175      3.9184497424  
  58  d_dvd     0.0380988581      3.8338480495  
  59  d_dvd     0.0425147987      3.7617023675  
  60  d_dvd     0.0469307393      3.6774244377  
  61  d_dvd     0.0513466798      3.6349808001  
  62  d_dvd     0.0557626204      3.5485122563  
  63  d_dvd      0.060178561      3.4825877695  
  64  d_dvd     0.0645945016      3.4596939765  
  65  d_dvd     0.0690104422      3.4144719496  
  66  d_dvd     0.0734263827      3.3527611917  
  67  d_dvd     0.0778423233      3.3038437749  
  68  d_dvd     0.0822582639      3.2743887956  
  69  d_dvd     0.0866742045      3.2576785749  
  70  d_dvd     0.0910901451      3.2367890994  
  71  d_dvd     0.0955060857      3.1878026387  
  72  d_dvd     0.0999220262      3.1661339703  
  73  d_dvd     0.1043379668      3.1280760127  
  74  d_dvd     0.1087539074      3.1105897103  
  75  d_dvd      0.113169848      3.0860037056  
  76  d_dvd     0.1175857886      3.0780941504  
  77  d_dvd     0.1220017291      3.0449315461  
  78  d_dvd     0.1264176697      3.0161973535  
  79  d_dvd     0.1308336103      2.9675479762  
  80  d_dvd     0.1352495509      2.9628426812  
  81  d_dvd     0.1396654915      2.9324737647  
  82  d_dvd      0.144081432      2.8998205024  
  83  d_dvd     0.1484973726       2.875639937  
  84  d_dvd     0.1529133132      2.8651039746  
  85  d_dvd     0.1573292538      2.8331471119  
  86  d_dvd     0.1617451944      2.8524799936  
  87  d_dvd      0.166161135      2.7489628613  
  88  d_dvd     0.1705770755      2.7701152948  
  89  d_dvd     0.1749930161      2.7419390777  
  90  d_dvd     0.1794089567      2.6748611407  
  91  d_dvd     0.1838248973       2.710963119  
  92  d_dvd     0.1882408379      2.5865873047  
  93  d_dvd     0.1926567784      2.6273658566  
  94  d_dvd      0.197072719      2.5943925504  
  95  d_dvd     0.2014886596      2.6009728957  
  96  d_dvd     0.2059046002      2.4653828514  
  97  d_dvd     0.2103205408      2.5010592622  
  98  d_dvd     0.2147364814      2.3856062736  
  99  d_dvd     0.2191524219      2.4183012913  
 100  d_dvd     0.2235683625      2.3820170426  
 101  d_dvd     0.2279843031      2.2174839442  
 102  d_dvd     0.2324002437      2.2041199827  
 103  d_dvd     0.2368161843      2.1702617154  
 104  d_dvd     0.2412321248      1.9912260757  
 105  d_dvd     0.2456480654      2.0170333393  
 106  d_dvd      0.250064006      1.9912260757  
 107  d_dvd     0.2544799466      1.9731278536  
 108  d_dvd     0.2588958872       1.806179974  
 109  d_dvd     0.2633118277       1.806179974  
 110  d_dvd     0.2677277683      1.6989700043  
 111  d_dvd     0.2721437089      1.6627578317  
 112  d_dvd     0.2765596495      1.6627578317  
 113  d_dvd     0.2809755901      1.4771212547  
 114  d_dvd     0.2853915307      1.3802112417  
 115  d_dvd     0.2898074712      1.3010299957  
 116  d_dvd     0.2942234118      1.4471580313  
 117  d_dvd     0.2986393524      1.2041199827  
 118  d_dvd      0.303055293      1.2041199827  
 119  d_dvd     0.3074712336      0.3010299957  
 120  d_dvd     0.3118871741               1.0  
 121  d_dvd     0.3163031147      0.6020599913  
 122  d_dvd     0.3207190553      0.6020599913  
 123  d_dvd     0.3251349959      0.3010299957  
 124  d_dvd     0.3295509365      0.3010299957  
 125  d_dvd      0.333966877      0.6020599913  
 126  d_dvd     0.3383828176      0.3010299957  
 127  d_dvd     0.3427987582      0.6020599913  
 128  d_raps             0.0      4.4768886639  
 129  d_raps    0.0042480882      4.4768886639  
 130  d_raps    0.0084961763      4.1918500502  
 131  d_raps    0.0127442645      3.6642843407  
 132  d_raps    0.0169923526       3.059337047  
 133  d_raps    0.0212404408      2.7346081959  
 134  d_raps    0.0254885289      2.5912993983  
 135  d_raps    0.0297366171      2.3656855465  
 136  d_raps    0.0339847052      2.2010697914  
 137  d_raps    0.0382327934      1.9547758954  
 138  d_raps    0.0424808815      1.6775781453  
 139  d_raps    0.0467289697       1.446164344  
 140  d_raps    0.0509770578      1.2796977975  
 141  d_raps     0.055225146      1.2162017057  
 142  d_raps    0.0594732341      1.1498431118  
 143  d_raps    0.0637213223      1.1307302693  
 144  d_raps    0.0679694104      1.1148895077  
 145  d_raps    0.0722174986      1.1430092513  
 146  d_raps    0.0764655867      1.1923036743  
 147  d_raps    0.0807136749        1.22070209  
 148  d_raps     0.084961763      1.2113909665  
 149  d_raps    0.0892098512      1.1710868078  
 150  d_raps    0.0934579393       1.123349479  
 151  d_raps    0.0977060275      1.0540802876  
 152  d_raps    0.1019541156      1.0026009243  
 153  d_raps    0.1062022038      0.9521212462  
 154  d_raps     0.110450292      0.8875222282  
 155  d_raps    0.1146983801      0.8009725918  
 156  d_raps    0.1189464683      0.7369618484  
 157  d_raps    0.1231945564      0.6828409888  
 158  d_raps    0.1274426446      0.6292088713  
 159  d_raps    0.1316907327      0.5744436162  
 160  d_raps    0.1359388209      0.5412954326  
 161  d_raps     0.140186909      0.5238662667  
 162  d_raps    0.1444349972      0.5007911623  
 163  d_raps    0.1486830853      0.4982616615  
 164  d_raps    0.1529311735       0.516397639  
 165  d_raps    0.1571792616      0.5352870694  
 166  d_raps    0.1614273498      0.5409033351  
 167  d_raps    0.1656754379      0.5486355897  
 168  d_raps    0.1699235261      0.5880354963  
 169  d_raps    0.1741716142      0.6453367126  
 170  d_raps    0.1784197024      0.7088626605  
 171  d_raps    0.1826677905      0.7755033767  
 172  d_raps    0.1869158787      0.8424549369  
 173  d_raps    0.1911639668      0.9277441368  
 174  d_raps     0.195412055      0.9904683231  
 175  d_raps    0.1996601431      1.0401083697  
 176  d_raps    0.2039082313      1.0925382075  
 177  d_raps    0.2081563194      1.1193691315  
 178  d_raps    0.2124044076      1.1111024889  
 179  d_raps    0.2166524958      1.0999349648  
 180  d_raps    0.2209005839      1.0813960566  
 181  d_raps    0.2251486721      1.0507284592  
 182  d_raps    0.2293967602      1.0211229173  
 183  d_raps    0.2336448484        0.97161294  
 184  d_raps    0.2378929365      0.9168661713  
 185  d_raps    0.2421410247      0.8550031944  
 186  d_raps    0.2463891128       0.796817474  
 187  d_raps     0.250637201      0.7563838459  
 188  d_raps    0.2548852891      0.7174681626  
 189  d_raps    0.2591333773      0.6680246467  
 190  d_raps    0.2633814654      0.5968339913  
 191  d_raps    0.2676295536      0.5240120552  
 192  d_raps    0.2718776417      0.4654523574  
 193  d_raps    0.2761257299      0.4179078616  
 194  d_raps     0.280373818      0.3661965179  
 195  d_raps    0.2846219062      0.3291096506  
 196  d_raps    0.2888699943      0.3197373761  
 197  d_raps    0.2931180825       0.262727287  
 198  d_raps    0.2973661706      0.1471695799  
 199  d_raps    0.3016142588     -0.0791131896  
 200  d_raps    0.3058623469     -0.4129399211  
 201  d_raps    0.3101104351     -0.7963799044  
 202  d_raps    0.3143585232     -1.0816483765  
 203  d_raps    0.3186066114     -1.2741063385  
 204  d_raps    0.3228546996     -1.4541703065  
 205  d_raps    0.3271027877     -1.6105559365  
 206  d_raps    0.3313508759     -1.7409955626  
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 973  fsc_i_3         0.0595            0.3684  
 974  fsc_i_3         0.0637            0.3662  
 975  fsc_i_3          0.068            0.3642  
 976  fsc_i_3         0.0722            0.3625  
 977  fsc_i_3         0.0765             0.361  
 978  fsc_i_3         0.0807            0.3596  
 979  fsc_i_3          0.085            0.3583  
 980  fsc_i_3         0.0892            0.3572  
 981  fsc_i_3         0.0935            0.3561  
 982  fsc_i_3         0.0977            0.3552  
 983  fsc_i_3          0.102            0.3543  
 984  fsc_i_3         0.1062            0.3535  
 985  fsc_i_3         0.1104            0.3527  
 986  fsc_i_3         0.1147            0.3521  
 987  fsc_i_3         0.1189            0.3514  
 988  fsc_i_3         0.1232            0.3508  
 989  fsc_i_3         0.1274            0.3502  
 990  fsc_i_3         0.1317            0.3497  
 991  fsc_i_3         0.1359            0.3492  
 992  fsc_i_3         0.1402            0.3487  
 993  fsc_i_3         0.1444            0.3483  
 994  fsc_i_3         0.1487            0.3479  
 995  fsc_i_3         0.1529            0.3475  
 996  fsc_i_3         0.1572            0.3471  
 997  fsc_i_3         0.1614            0.3468  
 998  fsc_i_3         0.1657            0.3464  
 999  fsc_i_3         0.1699            0.3461  
1000  fsc_i_3         0.1742            0.3458  
1001  fsc_i_3         0.1784            0.3455  
1002  fsc_i_3         0.1827            0.3452  
1003  fsc_i_3         0.1869             0.345  
1004  fsc_i_3         0.1912            0.3447  
1005  fsc_i_3         0.1954            0.3445  
1006  fsc_i_3         0.1997            0.3442  
1007  fsc_i_3         0.2039             0.344  
1008  fsc_i_3         0.2082            0.3438  
1009  fsc_i_3         0.2124            0.3436  
1010  fsc_i_3         0.2167            0.3434  
1011  fsc_i_3         0.2209            0.3432  
1012  fsc_i_3         0.2251             0.343  
1013  fsc_i_3         0.2294            0.3428  
1014  fsc_i_3         0.2336            0.3427  
1015  fsc_i_3         0.2379            0.3425  
1016  fsc_i_3         0.2421            0.3424  
1017  fsc_i_3         0.2464            0.3422  
1018  fsc_i_3         0.2506             0.342  
1019  fsc_i_3         0.2549            0.3419  
1020  fsc_i_3         0.2591            0.3418  
1021  fsc_i_3         0.2634            0.3416  
1022  fsc_i_3         0.2676            0.3415  
1023  fsc_i_3         0.2719            0.3414  
1024  fsc_i_3         0.2761            0.3413  
1025  fsc_i_3         0.2804            0.3411  
1026  fsc_i_3         0.2846             0.341  
1027  fsc_i_3         0.2889            0.3409  
1028  fsc_i_3         0.2931            0.3408  
1029  fsc_i_3         0.2974            0.3407  
1030  fsc_i_3         0.3016            0.3406  
1031  fsc_i_3         0.3059            0.3405  
1032  fsc_i_3         0.3101            0.3404  
1033  fsc_i_3         0.3144            0.3403  
1034  fsc_i_3         0.3186            0.3402  
1035  fsc_i_3         0.3229            0.3401  
1036  fsc_i_3         0.3271              0.34  
1037  fsc_i_3         0.3314              0.34  
1038  fsc_i_3         0.3356            0.3399  
1039  fsc_i_3         0.3398            0.3398  
1040  fsc_i_3         0.3441            0.3397  
1041  fsc_i_3         0.3483            0.3396  
1042  fsc_i_3         0.3526            0.3396  
1043  fsc_i_3         0.3568            0.3395  
1044  fsc_i_3         0.3611            0.3394  
1045  fsc_i_3         0.3653            0.3393  
1046  fsc_i_3         0.3696            0.3393  
1047  fsc_i_3         0.3738            0.3392  
1048  fsc_i_3         0.3781            0.3391  
1049  fsc_i_3         0.3823            0.3391  
1050  fsc_i_3         0.3866             0.339  
1051  fsc_i_3         0.3908             0.339  
1052  fsc_i_3         0.3951            0.3389  
1053  fsc_i_3         0.3993            0.3388  
1054  fsc_i_3         0.4036            0.3388  
1055  fsc_i_3         0.4078            0.3387  
1056  fsc_i_3         0.4121            0.3387  
1057  fsc_i_3         0.4163            0.3386  
1058  fsc_i_3         0.4206            0.3386  
1059  fsc_i_3         0.4248            0.3385  
1060  fsc_i_3         0.4291            0.3385  
1061  fsc_i_3         0.4333            0.3384  
1062  fsc_i_3         0.4376            0.3384  
1063  fsc_i_3         0.4418            0.3383  
1064  fsc_i_3          0.446            0.3383  
1065  fsc_i_3         0.4503            0.3382  
1066  fsc_i_3         0.4545            0.3382  
1067  fsc_i_3         0.4588            0.3381  
1068  fsc_i_3          0.463            0.3381  
1069  fsc_i_3         0.4673             0.338  
1070  fsc_i_4          0.001               0.5  
1071  fsc_i_4         0.0042               0.5  
1072  fsc_i_4         0.0085               0.5  
1073  fsc_i_4         0.0127               0.5  
1074  fsc_i_4          0.017               0.5  
1075  fsc_i_4         0.0212               0.5  
1076  fsc_i_4         0.0255               0.5  
1077  fsc_i_4         0.0297               0.5  
1078  fsc_i_4          0.034               0.5  
1079  fsc_i_4         0.0382               0.5  
1080  fsc_i_4         0.0425               0.5  
1081  fsc_i_4         0.0467               0.5  
1082  fsc_i_4          0.051               0.5  
1083  fsc_i_4         0.0552               0.5  
1084  fsc_i_4         0.0595               0.5  
1085  fsc_i_4         0.0637               0.5  
1086  fsc_i_4          0.068               0.5  
1087  fsc_i_4         0.0722               0.5  
1088  fsc_i_4         0.0765               0.5  
1089  fsc_i_4         0.0807               0.5  
1090  fsc_i_4          0.085               0.5  
1091  fsc_i_4         0.0892               0.5  
1092  fsc_i_4         0.0935               0.5  
1093  fsc_i_4         0.0977               0.5  
1094  fsc_i_4          0.102               0.5  
1095  fsc_i_4         0.1062               0.5  
1096  fsc_i_4         0.1104               0.5  
1097  fsc_i_4         0.1147               0.5  
1098  fsc_i_4         0.1189               0.5  
1099  fsc_i_4         0.1232               0.5  
1100  fsc_i_4         0.1274               0.5  
1101  fsc_i_4         0.1317               0.5  
1102  fsc_i_4         0.1359               0.5  
1103  fsc_i_4         0.1402               0.5  
1104  fsc_i_4         0.1444               0.5  
1105  fsc_i_4         0.1487               0.5  
1106  fsc_i_4         0.1529               0.5  
1107  fsc_i_4         0.1572               0.5  
1108  fsc_i_4         0.1614               0.5  
1109  fsc_i_4         0.1657               0.5  
1110  fsc_i_4         0.1699               0.5  
1111  fsc_i_4         0.1742               0.5  
1112  fsc_i_4         0.1784               0.5  
1113  fsc_i_4         0.1827               0.5  
1114  fsc_i_4         0.1869               0.5  
1115  fsc_i_4         0.1912               0.5  
1116  fsc_i_4         0.1954               0.5  
1117  fsc_i_4         0.1997               0.5  
1118  fsc_i_4         0.2039               0.5  
1119  fsc_i_4         0.2082               0.5  
1120  fsc_i_4         0.2124               0.5  
1121  fsc_i_4         0.2167               0.5  
1122  fsc_i_4         0.2209               0.5  
1123  fsc_i_4         0.2251               0.5  
1124  fsc_i_4         0.2294               0.5  
1125  fsc_i_4         0.2336               0.5  
1126  fsc_i_4         0.2379               0.5  
1127  fsc_i_4         0.2421               0.5  
1128  fsc_i_4         0.2464               0.5  
1129  fsc_i_4         0.2506               0.5  
1130  fsc_i_4         0.2549               0.5  
1131  fsc_i_4         0.2591               0.5  
1132  fsc_i_4         0.2634               0.5  
1133  fsc_i_4         0.2676               0.5  
1134  fsc_i_4         0.2719               0.5  
1135  fsc_i_4         0.2761               0.5  
1136  fsc_i_4         0.2804               0.5  
1137  fsc_i_4         0.2846               0.5  
1138  fsc_i_4         0.2889               0.5  
1139  fsc_i_4         0.2931               0.5  
1140  fsc_i_4         0.2974               0.5  
1141  fsc_i_4         0.3016               0.5  
1142  fsc_i_4         0.3059               0.5  
1143  fsc_i_4         0.3101               0.5  
1144  fsc_i_4         0.3144               0.5  
1145  fsc_i_4         0.3186               0.5  
1146  fsc_i_4         0.3229               0.5  
1147  fsc_i_4         0.3271               0.5  
1148  fsc_i_4         0.3314               0.5  
1149  fsc_i_4         0.3356               0.5  
1150  fsc_i_4         0.3398               0.5  
1151  fsc_i_4         0.3441               0.5  
1152  fsc_i_4         0.3483               0.5  
1153  fsc_i_4         0.3526               0.5  
1154  fsc_i_4         0.3568               0.5  
1155  fsc_i_4         0.3611               0.5  
1156  fsc_i_4         0.3653               0.5  
1157  fsc_i_4         0.3696               0.5  
1158  fsc_i_4         0.3738               0.5  
1159  fsc_i_4         0.3781               0.5  
1160  fsc_i_4         0.3823               0.5  
1161  fsc_i_4         0.3866               0.5  
1162  fsc_i_4         0.3908               0.5  
1163  fsc_i_4         0.3951               0.5  
1164  fsc_i_4         0.3993               0.5  
1165  fsc_i_4         0.4036               0.5  
1166  fsc_i_4         0.4078               0.5  
1167  fsc_i_4         0.4121               0.5  
1168  fsc_i_4         0.4163               0.5  
1169  fsc_i_4         0.4206               0.5  
1170  fsc_i_4         0.4248               0.5  
1171  fsc_i_4         0.4291               0.5  
1172  fsc_i_4         0.4333               0.5  
1173  fsc_i_4         0.4376               0.5  
1174  fsc_i_4         0.4418               0.5  
1175  fsc_i_4          0.446               0.5  
1176  fsc_i_4         0.4503               0.5  
1177  fsc_i_4         0.4545               0.5  
1178  fsc_i_4         0.4588               0.5  
1179  fsc_i_4          0.463               0.5  
1180  fsc_i_4         0.4673               0.5  
1181  fsc_i_5          0.001             0.333  
1182  fsc_i_5         0.0042             0.333  
1183  fsc_i_5         0.0085             0.333  
1184  fsc_i_5         0.0127             0.333  
1185  fsc_i_5          0.017             0.333  
1186  fsc_i_5         0.0212             0.333  
1187  fsc_i_5         0.0255             0.333  
1188  fsc_i_5         0.0297             0.333  
1189  fsc_i_5          0.034             0.333  
1190  fsc_i_5         0.0382             0.333  
1191  fsc_i_5         0.0425             0.333  
1192  fsc_i_5         0.0467             0.333  
1193  fsc_i_5          0.051             0.333  
1194  fsc_i_5         0.0552             0.333  
1195  fsc_i_5         0.0595             0.333  
1196  fsc_i_5         0.0637             0.333  
1197  fsc_i_5          0.068             0.333  
1198  fsc_i_5         0.0722             0.333  
1199  fsc_i_5         0.0765             0.333  
1200  fsc_i_5         0.0807             0.333  
1201  fsc_i_5          0.085             0.333  
1202  fsc_i_5         0.0892             0.333  
1203  fsc_i_5         0.0935             0.333  
1204  fsc_i_5         0.0977             0.333  
1205  fsc_i_5          0.102             0.333  
1206  fsc_i_5         0.1062             0.333  
1207  fsc_i_5         0.1104             0.333  
1208  fsc_i_5         0.1147             0.333  
1209  fsc_i_5         0.1189             0.333  
1210  fsc_i_5         0.1232             0.333  
1211  fsc_i_5         0.1274             0.333  
1212  fsc_i_5         0.1317             0.333  
1213  fsc_i_5         0.1359             0.333  
1214  fsc_i_5         0.1402             0.333  
1215  fsc_i_5         0.1444             0.333  
1216  fsc_i_5         0.1487             0.333  
1217  fsc_i_5         0.1529             0.333  
1218  fsc_i_5         0.1572             0.333  
1219  fsc_i_5         0.1614             0.333  
1220  fsc_i_5         0.1657             0.333  
1221  fsc_i_5         0.1699             0.333  
1222  fsc_i_5         0.1742             0.333  
1223  fsc_i_5         0.1784             0.333  
1224  fsc_i_5         0.1827             0.333  
1225  fsc_i_5         0.1869             0.333  
1226  fsc_i_5         0.1912             0.333  
1227  fsc_i_5         0.1954             0.333  
1228  fsc_i_5         0.1997             0.333  
1229  fsc_i_5         0.2039             0.333  
1230  fsc_i_5         0.2082             0.333  
1231  fsc_i_5         0.2124             0.333  
1232  fsc_i_5         0.2167             0.333  
1233  fsc_i_5         0.2209             0.333  
1234  fsc_i_5         0.2251             0.333  
1235  fsc_i_5         0.2294             0.333  
1236  fsc_i_5         0.2336             0.333  
1237  fsc_i_5         0.2379             0.333  
1238  fsc_i_5         0.2421             0.333  
1239  fsc_i_5         0.2464             0.333  
1240  fsc_i_5         0.2506             0.333  
1241  fsc_i_5         0.2549             0.333  
1242  fsc_i_5         0.2591             0.333  
1243  fsc_i_5         0.2634             0.333  
1244  fsc_i_5         0.2676             0.333  
1245  fsc_i_5         0.2719             0.333  
1246  fsc_i_5         0.2761             0.333  
1247  fsc_i_5         0.2804             0.333  
1248  fsc_i_5         0.2846             0.333  
1249  fsc_i_5         0.2889             0.333  
1250  fsc_i_5         0.2931             0.333  
1251  fsc_i_5         0.2974             0.333  
1252  fsc_i_5         0.3016             0.333  
1253  fsc_i_5         0.3059             0.333  
1254  fsc_i_5         0.3101             0.333  
1255  fsc_i_5         0.3144             0.333  
1256  fsc_i_5         0.3186             0.333  
1257  fsc_i_5         0.3229             0.333  
1258  fsc_i_5         0.3271             0.333  
1259  fsc_i_5         0.3314             0.333  
1260  fsc_i_5         0.3356             0.333  
1261  fsc_i_5         0.3398             0.333  
1262  fsc_i_5         0.3441             0.333  
1263  fsc_i_5         0.3483             0.333  
1264  fsc_i_5         0.3526             0.333  
1265  fsc_i_5         0.3568             0.333  
1266  fsc_i_5         0.3611             0.333  
1267  fsc_i_5         0.3653             0.333  
1268  fsc_i_5         0.3696             0.333  
1269  fsc_i_5         0.3738             0.333  
1270  fsc_i_5         0.3781             0.333  
1271  fsc_i_5         0.3823             0.333  
1272  fsc_i_5         0.3866             0.333  
1273  fsc_i_5         0.3908             0.333  
1274  fsc_i_5         0.3951             0.333  
1275  fsc_i_5         0.3993             0.333  
1276  fsc_i_5         0.4036             0.333  
1277  fsc_i_5         0.4078             0.333  
1278  fsc_i_5         0.4121             0.333  
1279  fsc_i_5         0.4163             0.333  
1280  fsc_i_5         0.4206             0.333  
1281  fsc_i_5         0.4248             0.333  
1282  fsc_i_5         0.4291             0.333  
1283  fsc_i_5         0.4333             0.333  
1284  fsc_i_5         0.4376             0.333  
1285  fsc_i_5         0.4418             0.333  
1286  fsc_i_5          0.446             0.333  
1287  fsc_i_5         0.4503             0.333  
1288  fsc_i_5         0.4545             0.333  
1289  fsc_i_5         0.4588             0.333  
1290  fsc_i_5          0.463             0.333  
1291  fsc_i_5         0.4673             0.333  
1292  fsc_i_6          0.001             0.143  
1293  fsc_i_6         0.0042             0.143  
1294  fsc_i_6         0.0085             0.143  
1295  fsc_i_6         0.0127             0.143  
1296  fsc_i_6          0.017             0.143  
1297  fsc_i_6         0.0212             0.143  
1298  fsc_i_6         0.0255             0.143  
1299  fsc_i_6         0.0297             0.143  
1300  fsc_i_6          0.034             0.143  
1301  fsc_i_6         0.0382             0.143  
1302  fsc_i_6         0.0425             0.143  
1303  fsc_i_6         0.0467             0.143  
1304  fsc_i_6          0.051             0.143  
1305  fsc_i_6         0.0552             0.143  
1306  fsc_i_6         0.0595             0.143  
1307  fsc_i_6         0.0637             0.143  
1308  fsc_i_6          0.068             0.143  
1309  fsc_i_6         0.0722             0.143  
1310  fsc_i_6         0.0765             0.143  
1311  fsc_i_6         0.0807             0.143  
1312  fsc_i_6          0.085             0.143  
1313  fsc_i_6         0.0892             0.143  
1314  fsc_i_6         0.0935             0.143  
1315  fsc_i_6         0.0977             0.143  
1316  fsc_i_6          0.102             0.143  
1317  fsc_i_6         0.1062             0.143  
1318  fsc_i_6         0.1104             0.143  
1319  fsc_i_6         0.1147             0.143  
1320  fsc_i_6         0.1189             0.143  
1321  fsc_i_6         0.1232             0.143  
1322  fsc_i_6         0.1274             0.143  
1323  fsc_i_6         0.1317             0.143  
1324  fsc_i_6         0.1359             0.143  
1325  fsc_i_6         0.1402             0.143  
1326  fsc_i_6         0.1444             0.143  
1327  fsc_i_6         0.1487             0.143  
1328  fsc_i_6         0.1529             0.143  
1329  fsc_i_6         0.1572             0.143  
1330  fsc_i_6         0.1614             0.143  
1331  fsc_i_6         0.1657             0.143  
1332  fsc_i_6         0.1699             0.143  
1333  fsc_i_6         0.1742             0.143  
1334  fsc_i_6         0.1784             0.143  
1335  fsc_i_6         0.1827             0.143  
1336  fsc_i_6         0.1869             0.143  
1337  fsc_i_6         0.1912             0.143  
1338  fsc_i_6         0.1954             0.143  
1339  fsc_i_6         0.1997             0.143  
1340  fsc_i_6         0.2039             0.143  
1341  fsc_i_6         0.2082             0.143  
1342  fsc_i_6         0.2124             0.143  
1343  fsc_i_6         0.2167             0.143  
1344  fsc_i_6         0.2209             0.143  
1345  fsc_i_6         0.2251             0.143  
1346  fsc_i_6         0.2294             0.143  
1347  fsc_i_6         0.2336             0.143  
1348  fsc_i_6         0.2379             0.143  
1349  fsc_i_6         0.2421             0.143  
1350  fsc_i_6         0.2464             0.143  
1351  fsc_i_6         0.2506             0.143  
1352  fsc_i_6         0.2549             0.143  
1353  fsc_i_6         0.2591             0.143  
1354  fsc_i_6         0.2634             0.143  
1355  fsc_i_6         0.2676             0.143  
1356  fsc_i_6         0.2719             0.143  
1357  fsc_i_6         0.2761             0.143  
1358  fsc_i_6         0.2804             0.143  
1359  fsc_i_6         0.2846             0.143  
1360  fsc_i_6         0.2889             0.143  
1361  fsc_i_6         0.2931             0.143  
1362  fsc_i_6         0.2974             0.143  
1363  fsc_i_6         0.3016             0.143  
1364  fsc_i_6         0.3059             0.143  
1365  fsc_i_6         0.3101             0.143  
1366  fsc_i_6         0.3144             0.143  
1367  fsc_i_6         0.3186             0.143  
1368  fsc_i_6         0.3229             0.143  
1369  fsc_i_6         0.3271             0.143  
1370  fsc_i_6         0.3314             0.143  
1371  fsc_i_6         0.3356             0.143  
1372  fsc_i_6         0.3398             0.143  
1373  fsc_i_6         0.3441             0.143  
1374  fsc_i_6         0.3483             0.143  
1375  fsc_i_6         0.3526             0.143  
1376  fsc_i_6         0.3568             0.143  
1377  fsc_i_6         0.3611             0.143  
1378  fsc_i_6         0.3653             0.143  
1379  fsc_i_6         0.3696             0.143  
1380  fsc_i_6         0.3738             0.143  
1381  fsc_i_6         0.3781             0.143  
1382  fsc_i_6         0.3823             0.143  
1383  fsc_i_6         0.3866             0.143  
1384  fsc_i_6         0.3908             0.143  
1385  fsc_i_6         0.3951             0.143  
1386  fsc_i_6         0.3993             0.143  
1387  fsc_i_6         0.4036             0.143  
1388  fsc_i_6         0.4078             0.143  
1389  fsc_i_6         0.4121             0.143  
1390  fsc_i_6         0.4163             0.143  
1391  fsc_i_6         0.4206             0.143  
1392  fsc_i_6         0.4248             0.143  
1393  fsc_i_6         0.4291             0.143  
1394  fsc_i_6         0.4333             0.143  
1395  fsc_i_6         0.4376             0.143  
1396  fsc_i_6         0.4418             0.143  
1397  fsc_i_6          0.446             0.143  
1398  fsc_i_6         0.4503             0.143  
1399  fsc_i_6         0.4545             0.143  
1400  fsc_i_6         0.4588             0.143  
1401  fsc_i_6          0.463             0.143  
1402  fsc_i_6         0.4673             0.143  
#
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  visualanalysis  0.0.1.dev70                                                           Y  
3  percentiles     "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
4  chimera         1.16                                                                  Y  
5  mapq            1.8.1                                                                 Y  
##
