data_8U4U

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8U4U
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8U4U
_pdbx_vrpt_summary.PDB_deposition_date         2023-09-11
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-09-16:12:03
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "TP53-binding protein 1"
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  1  
D  1  
E  1  
F  1  
G  1  
H  1  
I  1  
J  1  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  3.79  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   54.55  141614     ?     ?  
 2  2  1   86.18    1288  3.60  4.00  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1243  3.60  4.00  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    1237  3.60  4.00  
 7  1  4   18.39  127900     ?     ?  
 8  2  4   14.18    1121  3.60  4.00  
 9  1  5    3.26  130704     ?     ?  
10  2  5   37.77    1212  3.60  4.00  
#
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  7  4  A  1  1  A   44.79  
 6  8  4  A  1  1  A   37.11  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B  100.00  
10  6  3  B  1  1  B  100.00  
11  7  4  B  1  1  B   35.80  
12  8  4  B  1  1  B   30.42  
13  3  2  C  1  1  C  100.00  
14  4  2  C  1  1  C  100.00  
15  5  3  C  1  1  C  100.00  
16  6  3  C  1  1  C  100.00  
17  7  4  C  1  1  C   17.39  
18  8  4  C  1  1  C   13.65  
19  3  2  D  1  1  D  100.00  
20  4  2  D  1  1  D  100.00  
21  5  3  D  1  1  D  100.00  
22  6  3  D  1  1  D  100.00  
23  7  4  D  1  1  D    6.58  
24  8  4  D  1  1  D    6.16  
25  3  2  E  1  1  E  100.00  
26  4  2  E  1  1  E  100.00  
27  5  3  E  1  1  E  100.00  
28  6  3  E  1  1  E  100.00  
29  7  4  E  1  1  E   13.47  
30  8  4  E  1  1  E   10.79  
31  3  2  F  1  1  F  100.00  
32  4  2  F  1  1  F  100.00  
33  5  3  F  1  1  F  100.00  
34  6  3  F  1  1  F  100.00  
35  7  4  F  1  1  F    5.44  
36  8  4  F  1  1  F    4.91  
37  3  2  G  1  1  G  100.00  
38  4  2  G  1  1  G  100.00  
39  5  3  G  1  1  G  100.00  
40  6  3  G  1  1  G  100.00  
41  7  4  G  1  1  G   46.01  
42  8  4  G  1  1  G   37.82  
43  3  2  H  1  1  H  100.00  
44  4  2  H  1  1  H  100.00  
45  5  3  H  1  1  H  100.00  
46  6  3  H  1  1  H  100.00  
47  7  4  H  1  1  H   35.80  
48  8  4  H  1  1  H   30.42  
49  3  2  I  1  1  I  100.00  
50  4  2  I  1  1  I  100.00  
51  5  3  I  1  1  I  100.00  
52  6  3  I  1  1  I  100.00  
53  7  4  I  1  1  I   13.47  
54  8  4  I  1  1  I   10.79  
55  3  2  J  1  1  J  100.00  
56  4  2  J  1  1  J  100.00  
57  5  3  J  1  1  J  100.00  
58  6  3  J  1  1  J  100.00  
59  7  4  J  1  1  J   13.47  
60  8  4  J  1  1  J   10.79  
#
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  0.49  0.25  968  1301  
 2  1  1  B  B  0.50  0.25  964  1295  
 3  1  1  C  C  0.50  0.24  964  1295  
 4  1  1  D  D  0.49  0.25  964  1295  
 5  1  1  E  E  0.50  0.25  968  1301  
 6  1  1  F  F  0.49  0.24  972  1306  
 7  1  1  G  G  0.49  0.24  972  1306  
 8  1  1  H  H  0.49  0.25  972  1306  
 9  1  1  I  I  0.50  0.25  968  1301  
10  1  1  J  J  0.49  0.24  968  1301  
#
_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                     5.15
_pdbx_vrpt_summary_geometry.num_H_reduce                   9354
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 9680
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.25
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                13007
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.49
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            109.053
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         109.853
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.59(3.77A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        19457
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.400
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.326
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.864
_pdbx_vrpt_summary_diffraction.DCC_R                     0.26
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.31
_pdbx_vrpt_summary_diffraction.EDS_R                     0.29
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.79
_pdbx_vrpt_summary_diffraction.EDS_res_low               48.19
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[132.480,76.396,116.803,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.517
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 2.83% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         89.24
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1943
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.99
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.54
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.79
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        48.19
_pdbx_vrpt_summary_diffraction.PDB_R                     0.25
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.30
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
   1  1  1  A    6  ASN  A  1484  .  ?        ?  
   2  1  1  A    7  SER  A  1485  .  ?        ?  
   3  1  1  A    8  PHE  A  1486  .  ?        2  
   4  1  1  A    9  VAL  A  1487  .  ?        ?  
   5  1  1  A   10  GLY  A  1488  .  ?        ?  
   6  1  1  A   11  LEU  A  1489  .  ?        3  
   7  1  1  A   12  ARG  A  1490  .  ?        ?  
   8  1  1  A   13  VAL  A  1491  .  ?        2  
   9  1  1  A   14  VAL  A  1492  .  ?        1  
  10  1  1  A   15  ALA  A  1493  .  ?        ?  
  11  1  1  A   16  LYS  A  1494  .  ?        ?  
  12  1  1  A   17  TRP  A  1495  .  ?        ?  
  13  1  1  A   18  SER  A  1496  .  ?        ?  
  14  1  1  A   19  SER  A  1497  .  ?        ?  
  15  1  1  A   20  ASN  A  1498  .  ?        ?  
  16  1  1  A   21  GLY  A  1499  .  ?        ?  
  17  1  1  A   22  TYR  A  1500  .  ?        ?  
  18  1  1  A   23  PHE  A  1501  .  ?        1  
  19  1  1  A   24  TYR  A  1502  .  ?        ?  
  20  1  1  A   25  SER  A  1503  .  ?        ?  
  21  1  1  A   26  GLY  A  1504  .  ?        ?  
  22  1  1  A   27  LYS  A  1505  .  ?        ?  
  23  1  1  A   28  ILE  A  1506  .  ?        1  
  24  1  1  A   29  THR  A  1507  .  ?        ?  
  25  1  1  A   30  ARG  A  1508  .  ?        ?  
  26  1  1  A   31  ASP  A  1509  .  ?        ?  
  27  1  1  A   32  VAL  A  1510  .  ?        1  
  28  1  1  A   33  GLY  A  1511  .  ?        1  
  29  1  1  A   34  ALA  A  1512  .  ?        ?  
  30  1  1  A   35  GLY  A  1513  .  ?        ?  
  31  1  1  A   36  LYS  A  1514  .  ?        ?  
  32  1  1  A   37  TYR  A  1515  .  ?        ?  
  33  1  1  A   38  LYS  A  1516  .  ?        ?  
  34  1  1  A   39  LEU  A  1517  .  ?        ?  
  35  1  1  A   40  LEU  A  1518  .  ?        ?  
  36  1  1  A   41  PHE  A  1519  .  ?        ?  
  37  1  1  A   42  ASP  A  1520  .  ?        ?  
  38  1  1  A   43  ASP  A  1521  .  ?        ?  
  39  1  1  A   44  GLY  A  1522  .  ?        ?  
  40  1  1  A   45  TYR  A  1523  .  ?        ?  
  41  1  1  A   46  GLU  A  1524  .  ?        ?  
  42  1  1  A   47  CYS  A  1525  .  ?        ?  
  43  1  1  A   48  ASP  A  1526  .  ?        ?  
  44  1  1  A   49  VAL  A  1527  .  ?        ?  
  45  1  1  A   50  LEU  A  1528  .  ?        ?  
  46  1  1  A   51  GLY  A  1529  .  ?        ?  
  47  1  1  A   52  LYS  A  1530  .  ?        ?  
  48  1  1  A   53  ASP  A  1531  .  ?        ?  
  49  1  1  A   54  ILE  A  1532  .  ?        ?  
  50  1  1  A   55  LEU  A  1533  .  ?        ?  
  51  1  1  A   56  LEU  A  1534  .  ?        2  
  52  1  1  A   57  CYS  A  1535  .  ?        ?  
  53  1  1  A   58  ASP  A  1536  .  ?        1  
  54  1  1  A   59  PRO  A  1537  .  ?        1  
  55  1  1  A   60  ILE  A  1538  .  ?        ?  
  56  1  1  A   61  PRO  A  1539  .  ?        ?  
  57  1  1  A   62  LEU  A  1540  .  ?        1  
  58  1  1  A   63  ASP  A  1541  .  ?        ?  
  59  1  1  A   64  THR  A  1542  .  ?        1  
  60  1  1  A   65  GLU  A  1543  .  ?        ?  
  61  1  1  A   66  VAL  A  1544  .  ?        1  
  62  1  1  A   67  THR  A  1545  .  ?        ?  
  63  1  1  A   68  ALA  A  1546  .  ?        ?  
  64  1  1  A   69  LEU  A  1547  .  ?        ?  
  65  1  1  A   70  SER  A  1548  .  ?        ?  
  66  1  1  A   71  CYS  A  1549  .  ?        ?  
  67  1  1  A   72  ASP  A  1550  .  ?        ?  
  68  1  1  A   73  GLU  A  1551  .  ?        ?  
  69  1  1  A   74  TYR  A  1552  .  ?        ?  
  70  1  1  A   75  PHE  A  1553  .  ?        ?  
  71  1  1  A   76  SER  A  1554  .  ?        ?  
  72  1  1  A   77  ALA  A  1555  .  ?        ?  
  73  1  1  A   78  GLY  A  1556  .  ?        ?  
  74  1  1  A   79  VAL  A  1557  .  ?        ?  
  75  1  1  A   80  VAL  A  1558  .  ?        1  
  76  1  1  A   81  LYS  A  1559  .  ?        ?  
  77  1  1  A   82  GLY  A  1560  .  ?        ?  
  78  1  1  A   83  HIS  A  1561  .  ?        ?  
  79  1  1  A   84  ARG  A  1562  .  ?        ?  
  80  1  1  A   85  LYS  A  1563  .  ?        2  
  81  1  1  A   86  GLU  A  1564  .  ?        ?  
  82  1  1  A   87  SER  A  1565  .  ?        ?  
  83  1  1  A   88  GLY  A  1566  .  ?        ?  
  84  1  1  A   89  CYS  A  1567  .  ?        ?  
  85  1  1  A   90  LEU  A  1568  .  ?        ?  
  86  1  1  A   91  TYR  A  1569  .  ?        ?  
  87  1  1  A   92  TYR  A  1570  .  ?        ?  
  88  1  1  A   93  SER  A  1571  .  ?        ?  
  89  1  1  A   94  ILE  A  1572  .  ?        1  
  90  1  1  A   95  GLU  A  1573  .  ?        ?  
  91  1  1  A   96  LYS  A  1574  .  ?        ?  
  92  1  1  A   97  GLU  A  1575  .  ?        ?  
  93  1  1  A   98  GLY  A  1576  .  ?        ?  
  94  1  1  A   99  GLN  A  1577  .  ?        ?  
  95  1  1  A  100  ARG  A  1578  .  ?        ?  
  96  1  1  A  101  LYS  A  1579  .  ?        ?  
  97  1  1  A  102  TRP  A  1580  .  ?        ?  
  98  1  1  A  103  TYR  A  1581  .  ?        ?  
  99  1  1  A  104  LYS  A  1582  .  ?        ?  
 100  1  1  A  105  ARG  A  1583  .  ?        ?  
 101  1  1  A  106  MET  A  1584  .  ?        ?  
 102  1  1  A  107  ALA  A  1585  .  ?        ?  
 103  1  1  A  108  VAL  A  1586  .  ?        ?  
 104  1  1  A  109  ILE  A  1587  .  ?        ?  
 105  1  1  A  110  LEU  A  1588  .  ?        3  
 106  1  1  A  111  SER  A  1589  .  ?        ?  
 107  1  1  A  112  LEU  A  1590  .  ?        ?  
 108  1  1  A  113  GLU  A  1591  .  ?        ?  
 109  1  1  A  114  GLN  A  1592  .  ?        ?  
 110  1  1  A  115  GLY  A  1593  .  ?        ?  
 111  1  1  A  116  ASN  A  1594  .  ?        ?  
 112  1  1  A  117  ARG  A  1595  .  ?        ?  
 113  1  1  A  118  LEU  A  1596  .  ?        3  
 114  1  1  A  119  ARG  A  1597  .  ?        ?  
 115  1  1  A  120  GLU  A  1598  .  ?        ?  
 116  1  1  A  121  GLN  A  1599  .  ?        ?  
 117  1  1  A  122  TYR  A  1600  .  ?        ?  
 118  1  1  A  123  GLY  A  1601  .  ?        ?  
 119  1  1  A  124  LEU  A  1602  .  ?        ?  
 120  1  1  B    6  ASN  B  1484  .  ?        ?  
 121  1  1  B    7  SER  B  1485  .  ?        ?  
 122  1  1  B    8  PHE  B  1486  .  ?        ?  
 123  1  1  B    9  VAL  B  1487  .  ?        ?  
 124  1  1  B   10  GLY  B  1488  .  ?        ?  
 125  1  1  B   11  LEU  B  1489  .  ?        ?  
 126  1  1  B   12  ARG  B  1490  .  ?        ?  
 127  1  1  B   13  VAL  B  1491  .  ?        ?  
 128  1  1  B   14  VAL  B  1492  .  ?        1  
 129  1  1  B   15  ALA  B  1493  .  ?        1  
 130  1  1  B   16  LYS  B  1494  .  ?        ?  
 131  1  1  B   17  TRP  B  1495  .  ?        ?  
 132  1  1  B   18  SER  B  1496  .  ?        ?  
 133  1  1  B   19  SER  B  1497  .  ?        ?  
 134  1  1  B   20  ASN  B  1498  .  ?        ?  
 135  1  1  B   21  GLY  B  1499  .  ?        ?  
 136  1  1  B   22  TYR  B  1500  .  ?        ?  
 137  1  1  B   23  PHE  B  1501  .  ?        1  
 138  1  1  B   24  TYR  B  1502  .  ?        ?  
 139  1  1  B   25  SER  B  1503  .  ?        ?  
 140  1  1  B   26  GLY  B  1504  .  ?        ?  
 141  1  1  B   27  LYS  B  1505  .  ?        ?  
 142  1  1  B   28  ILE  B  1506  .  ?        ?  
 143  1  1  B   29  THR  B  1507  .  ?        ?  
 144  1  1  B   30  ARG  B  1508  .  ?        2  
 145  1  1  B   31  ASP  B  1509  .  ?        ?  
 146  1  1  B   32  VAL  B  1510  .  ?        1  
 147  1  1  B   33  GLY  B  1511  .  ?        1  
 148  1  1  B   34  ALA  B  1512  .  ?        ?  
 149  1  1  B   35  GLY  B  1513  .  ?        ?  
 150  1  1  B   36  LYS  B  1514  .  ?        ?  
 151  1  1  B   37  TYR  B  1515  .  ?        ?  
 152  1  1  B   38  LYS  B  1516  .  ?        ?  
 153  1  1  B   39  LEU  B  1517  .  ?        ?  
 154  1  1  B   40  LEU  B  1518  .  ?        ?  
 155  1  1  B   41  PHE  B  1519  .  ?        ?  
 156  1  1  B   42  ASP  B  1520  .  ?        ?  
 157  1  1  B   43  ASP  B  1521  .  ?        ?  
 158  1  1  B   44  GLY  B  1522  .  ?        ?  
 159  1  1  B   45  TYR  B  1523  .  ?        ?  
 160  1  1  B   46  GLU  B  1524  .  ?        ?  
 161  1  1  B   47  CYS  B  1525  .  ?        ?  
 162  1  1  B   48  ASP  B  1526  .  ?        ?  
 163  1  1  B   49  VAL  B  1527  .  ?        ?  
 164  1  1  B   50  LEU  B  1528  .  ?        1  
 165  1  1  B   51  GLY  B  1529  .  ?        ?  
 166  1  1  B   52  LYS  B  1530  .  ?        1  
 167  1  1  B   53  ASP  B  1531  .  ?        ?  
 168  1  1  B   54  ILE  B  1532  .  ?        1  
 169  1  1  B   55  LEU  B  1533  .  ?        ?  
 170  1  1  B   56  LEU  B  1534  .  ?        ?  
 171  1  1  B   57  CYS  B  1535  .  ?        ?  
 172  1  1  B   58  ASP  B  1536  .  ?        1  
 173  1  1  B   59  PRO  B  1537  .  ?        1  
 174  1  1  B   60  ILE  B  1538  .  ?        ?  
 175  1  1  B   61  PRO  B  1539  .  ?        ?  
 176  1  1  B   62  LEU  B  1540  .  ?        1  
 177  1  1  B   63  ASP  B  1541  .  ?        1  
 178  1  1  B   64  THR  B  1542  .  ?        1  
 179  1  1  B   65  GLU  B  1543  .  ?        ?  
 180  1  1  B   66  VAL  B  1544  .  ?        ?  
 181  1  1  B   67  THR  B  1545  .  ?        ?  
 182  1  1  B   68  ALA  B  1546  .  ?        ?  
 183  1  1  B   69  LEU  B  1547  .  ?        ?  
 184  1  1  B   70  SER  B  1548  .  ?        ?  
 185  1  1  B   71  CYS  B  1549  .  ?        ?  
 186  1  1  B   72  ASP  B  1550  .  ?        ?  
 187  1  1  B   73  GLU  B  1551  .  ?        ?  
 188  1  1  B   74  TYR  B  1552  .  ?        ?  
 189  1  1  B   75  PHE  B  1553  .  ?        ?  
 190  1  1  B   76  SER  B  1554  .  ?        ?  
 191  1  1  B   77  ALA  B  1555  .  ?        ?  
 192  1  1  B   78  GLY  B  1556  .  ?        ?  
 193  1  1  B   79  VAL  B  1557  .  ?        ?  
 194  1  1  B   80  VAL  B  1558  .  ?        1  
 195  1  1  B   81  LYS  B  1559  .  ?        ?  
 196  1  1  B   82  GLY  B  1560  .  ?        ?  
 197  1  1  B   83  HIS  B  1561  .  ?        ?  
 198  1  1  B   84  ARG  B  1562  .  ?        ?  
 199  1  1  B   85  LYS  B  1563  .  ?        1  
 200  1  1  B   86  GLU  B  1564  .  ?        ?  
 201  1  1  B   87  SER  B  1565  .  ?        ?  
 202  1  1  B   88  GLY  B  1566  .  ?        ?  
 203  1  1  B   89  CYS  B  1567  .  ?        ?  
 204  1  1  B   90  LEU  B  1568  .  ?        ?  
 205  1  1  B   91  TYR  B  1569  .  ?        ?  
 206  1  1  B   92  TYR  B  1570  .  ?        ?  
 207  1  1  B   93  SER  B  1571  .  ?        ?  
 208  1  1  B   94  ILE  B  1572  .  ?        1  
 209  1  1  B   95  GLU  B  1573  .  ?        ?  
 210  1  1  B   96  LYS  B  1574  .  ?        ?  
 211  1  1  B   97  GLU  B  1575  .  ?        ?  
 212  1  1  B   98  GLY  B  1576  .  ?        ?  
 213  1  1  B   99  GLN  B  1577  .  ?        ?  
 214  1  1  B  100  ARG  B  1578  .  ?        ?  
 215  1  1  B  101  LYS  B  1579  .  ?        ?  
 216  1  1  B  102  TRP  B  1580  .  ?        ?  
 217  1  1  B  103  TYR  B  1581  .  ?        ?  
 218  1  1  B  104  LYS  B  1582  .  ?        ?  
 219  1  1  B  105  ARG  B  1583  .  ?        ?  
 220  1  1  B  106  MET  B  1584  .  ?        ?  
 221  1  1  B  107  ALA  B  1585  .  ?        ?  
 222  1  1  B  108  VAL  B  1586  .  ?        ?  
 223  1  1  B  109  ILE  B  1587  .  ?        ?  
 224  1  1  B  110  LEU  B  1588  .  ?        ?  
 225  1  1  B  111  SER  B  1589  .  ?        ?  
 226  1  1  B  112  LEU  B  1590  .  ?        ?  
 227  1  1  B  113  GLU  B  1591  .  ?        ?  
 228  1  1  B  114  GLN  B  1592  .  ?        ?  
 229  1  1  B  115  GLY  B  1593  .  ?        ?  
 230  1  1  B  116  ASN  B  1594  .  ?        ?  
 231  1  1  B  117  ARG  B  1595  .  ?        ?  
 232  1  1  B  118  LEU  B  1596  .  ?        1  
 233  1  1  B  119  ARG  B  1597  .  ?        ?  
 234  1  1  B  120  GLU  B  1598  .  ?        ?  
 235  1  1  B  121  GLN  B  1599  .  ?        ?  
 236  1  1  B  122  TYR  B  1600  .  ?        ?  
 237  1  1  B  123  GLY  B  1601  .  ?        ?  
 238  1  1  B  124  LEU  B  1602  .  ?        ?  
 239  1  1  C    6  ASN  C  1484  .  ?        ?  
 240  1  1  C    7  SER  C  1485  .  ?        ?  
 241  1  1  C    8  PHE  C  1486  .  ?        ?  
 242  1  1  C    9  VAL  C  1487  .  ?        ?  
 243  1  1  C   10  GLY  C  1488  .  ?        ?  
 244  1  1  C   11  LEU  C  1489  .  ?        ?  
 245  1  1  C   12  ARG  C  1490  .  ?        ?  
 246  1  1  C   13  VAL  C  1491  .  ?        2  
 247  1  1  C   14  VAL  C  1492  .  ?        1  
 248  1  1  C   15  ALA  C  1493  .  ?        ?  
 249  1  1  C   16  LYS  C  1494  .  ?        ?  
 250  1  1  C   17  TRP  C  1495  .  ?        ?  
 251  1  1  C   18  SER  C  1496  .  ?        ?  
 252  1  1  C   19  SER  C  1497  .  ?        ?  
 253  1  1  C   20  ASN  C  1498  .  ?        ?  
 254  1  1  C   21  GLY  C  1499  .  ?        ?  
 255  1  1  C   22  TYR  C  1500  .  ?        ?  
 256  1  1  C   23  PHE  C  1501  .  ?        1  
 257  1  1  C   24  TYR  C  1502  .  ?        ?  
 258  1  1  C   25  SER  C  1503  .  ?        ?  
 259  1  1  C   26  GLY  C  1504  .  ?        ?  
 260  1  1  C   27  LYS  C  1505  .  ?        ?  
 261  1  1  C   28  ILE  C  1506  .  ?        ?  
 262  1  1  C   29  THR  C  1507  .  ?        ?  
 263  1  1  C   30  ARG  C  1508  .  ?        ?  
 264  1  1  C   31  ASP  C  1509  .  ?        ?  
 265  1  1  C   32  VAL  C  1510  .  ?        1  
 266  1  1  C   33  GLY  C  1511  .  ?        ?  
 267  1  1  C   34  ALA  C  1512  .  ?        ?  
 268  1  1  C   35  GLY  C  1513  .  ?        ?  
 269  1  1  C   36  LYS  C  1514  .  ?        1  
 270  1  1  C   37  TYR  C  1515  .  ?        ?  
 271  1  1  C   38  LYS  C  1516  .  ?        ?  
 272  1  1  C   39  LEU  C  1517  .  ?        ?  
 273  1  1  C   40  LEU  C  1518  .  ?        ?  
 274  1  1  C   41  PHE  C  1519  .  ?        ?  
 275  1  1  C   42  ASP  C  1520  .  ?        ?  
 276  1  1  C   43  ASP  C  1521  .  ?        ?  
 277  1  1  C   44  GLY  C  1522  .  ?        ?  
 278  1  1  C   45  TYR  C  1523  .  ?        ?  
 279  1  1  C   46  GLU  C  1524  .  ?        ?  
 280  1  1  C   47  CYS  C  1525  .  ?        ?  
 281  1  1  C   48  ASP  C  1526  .  ?        ?  
 282  1  1  C   49  VAL  C  1527  .  ?        ?  
 283  1  1  C   50  LEU  C  1528  .  ?        ?  
 284  1  1  C   51  GLY  C  1529  .  ?        ?  
 285  1  1  C   52  LYS  C  1530  .  ?        ?  
 286  1  1  C   53  ASP  C  1531  .  ?        ?  
 287  1  1  C   54  ILE  C  1532  .  ?        ?  
 288  1  1  C   55  LEU  C  1533  .  ?        ?  
 289  1  1  C   56  LEU  C  1534  .  ?        2  
 290  1  1  C   57  CYS  C  1535  .  ?        ?  
 291  1  1  C   58  ASP  C  1536  .  ?        1  
 292  1  1  C   59  PRO  C  1537  .  ?        1  
 293  1  1  C   60  ILE  C  1538  .  ?        ?  
 294  1  1  C   61  PRO  C  1539  .  ?        ?  
 295  1  1  C   62  LEU  C  1540  .  ?        ?  
 296  1  1  C   63  ASP  C  1541  .  ?        ?  
 297  1  1  C   64  THR  C  1542  .  ?        1  
 298  1  1  C   65  GLU  C  1543  .  ?        ?  
 299  1  1  C   66  VAL  C  1544  .  ?        ?  
 300  1  1  C   67  THR  C  1545  .  ?        ?  
 301  1  1  C   68  ALA  C  1546  .  ?        ?  
 302  1  1  C   69  LEU  C  1547  .  ?        ?  
 303  1  1  C   70  SER  C  1548  .  ?        ?  
 304  1  1  C   71  CYS  C  1549  .  ?        1  
 305  1  1  C   72  ASP  C  1550  .  ?        ?  
 306  1  1  C   73  GLU  C  1551  .  ?        ?  
 307  1  1  C   74  TYR  C  1552  .  ?        ?  
 308  1  1  C   75  PHE  C  1553  .  ?        ?  
 309  1  1  C   76  SER  C  1554  .  ?        ?  
 310  1  1  C   77  ALA  C  1555  .  ?        ?  
 311  1  1  C   78  GLY  C  1556  .  ?        ?  
 312  1  1  C   79  VAL  C  1557  .  ?        ?  
 313  1  1  C   80  VAL  C  1558  .  ?        1  
 314  1  1  C   81  LYS  C  1559  .  ?        ?  
 315  1  1  C   82  GLY  C  1560  .  ?        ?  
 316  1  1  C   83  HIS  C  1561  .  ?        1  
 317  1  1  C   84  ARG  C  1562  .  ?        ?  
 318  1  1  C   85  LYS  C  1563  .  ?        ?  
 319  1  1  C   86  GLU  C  1564  .  ?        ?  
 320  1  1  C   87  SER  C  1565  .  ?        ?  
 321  1  1  C   88  GLY  C  1566  .  ?        ?  
 322  1  1  C   89  CYS  C  1567  .  ?        1  
 323  1  1  C   90  LEU  C  1568  .  ?        ?  
 324  1  1  C   91  TYR  C  1569  .  ?        ?  
 325  1  1  C   92  TYR  C  1570  .  ?        ?  
 326  1  1  C   93  SER  C  1571  .  ?        ?  
 327  1  1  C   94  ILE  C  1572  .  ?        ?  
 328  1  1  C   95  GLU  C  1573  .  ?        ?  
 329  1  1  C   96  LYS  C  1574  .  ?        ?  
 330  1  1  C   97  GLU  C  1575  .  ?        ?  
 331  1  1  C   98  GLY  C  1576  .  ?        ?  
 332  1  1  C   99  GLN  C  1577  .  ?        ?  
 333  1  1  C  100  ARG  C  1578  .  ?        ?  
 334  1  1  C  101  LYS  C  1579  .  ?        ?  
 335  1  1  C  102  TRP  C  1580  .  ?        ?  
 336  1  1  C  103  TYR  C  1581  .  ?        ?  
 337  1  1  C  104  LYS  C  1582  .  ?        ?  
 338  1  1  C  105  ARG  C  1583  .  ?        ?  
 339  1  1  C  106  MET  C  1584  .  ?        ?  
 340  1  1  C  107  ALA  C  1585  .  ?        ?  
 341  1  1  C  108  VAL  C  1586  .  ?        ?  
 342  1  1  C  109  ILE  C  1587  .  ?        ?  
 343  1  1  C  110  LEU  C  1588  .  ?        ?  
 344  1  1  C  111  SER  C  1589  .  ?        ?  
 345  1  1  C  112  LEU  C  1590  .  ?        ?  
 346  1  1  C  113  GLU  C  1591  .  ?        ?  
 347  1  1  C  114  GLN  C  1592  .  ?        ?  
 348  1  1  C  115  GLY  C  1593  .  ?        ?  
 349  1  1  C  116  ASN  C  1594  .  ?        ?  
 350  1  1  C  117  ARG  C  1595  .  ?        ?  
 351  1  1  C  118  LEU  C  1596  .  ?        1  
 352  1  1  C  119  ARG  C  1597  .  ?        ?  
 353  1  1  C  120  GLU  C  1598  .  ?        ?  
 354  1  1  C  121  GLN  C  1599  .  ?        ?  
 355  1  1  C  122  TYR  C  1600  .  ?        ?  
 356  1  1  C  123  GLY  C  1601  .  ?        ?  
 357  1  1  C  124  LEU  C  1602  .  ?        ?  
 358  1  1  D    6  ASN  D  1484  .  ?        ?  
 359  1  1  D    7  SER  D  1485  .  ?        ?  
 360  1  1  D    8  PHE  D  1486  .  ?        ?  
 361  1  1  D    9  VAL  D  1487  .  ?        ?  
 362  1  1  D   10  GLY  D  1488  .  ?        ?  
 363  1  1  D   11  LEU  D  1489  .  ?        2  
 364  1  1  D   12  ARG  D  1490  .  ?        ?  
 365  1  1  D   13  VAL  D  1491  .  ?        2  
 366  1  1  D   14  VAL  D  1492  .  ?        ?  
 367  1  1  D   15  ALA  D  1493  .  ?        ?  
 368  1  1  D   16  LYS  D  1494  .  ?        ?  
 369  1  1  D   17  TRP  D  1495  .  ?        ?  
 370  1  1  D   18  SER  D  1496  .  ?        ?  
 371  1  1  D   19  SER  D  1497  .  ?        ?  
 372  1  1  D   20  ASN  D  1498  .  ?        ?  
 373  1  1  D   21  GLY  D  1499  .  ?        ?  
 374  1  1  D   22  TYR  D  1500  .  ?        ?  
 375  1  1  D   23  PHE  D  1501  .  ?        ?  
 376  1  1  D   24  TYR  D  1502  .  ?        ?  
 377  1  1  D   25  SER  D  1503  .  ?        ?  
 378  1  1  D   26  GLY  D  1504  .  ?        ?  
 379  1  1  D   27  LYS  D  1505  .  ?        ?  
 380  1  1  D   28  ILE  D  1506  .  ?        ?  
 381  1  1  D   29  THR  D  1507  .  ?        ?  
 382  1  1  D   30  ARG  D  1508  .  ?        ?  
 383  1  1  D   31  ASP  D  1509  .  ?        ?  
 384  1  1  D   32  VAL  D  1510  .  ?        ?  
 385  1  1  D   33  GLY  D  1511  .  ?        ?  
 386  1  1  D   34  ALA  D  1512  .  ?        ?  
 387  1  1  D   35  GLY  D  1513  .  ?        ?  
 388  1  1  D   36  LYS  D  1514  .  ?        ?  
 389  1  1  D   37  TYR  D  1515  .  ?        ?  
 390  1  1  D   38  LYS  D  1516  .  ?        ?  
 391  1  1  D   39  LEU  D  1517  .  ?        ?  
 392  1  1  D   40  LEU  D  1518  .  ?        2  
 393  1  1  D   41  PHE  D  1519  .  ?        ?  
 394  1  1  D   42  ASP  D  1520  .  ?        ?  
 395  1  1  D   43  ASP  D  1521  .  ?        ?  
 396  1  1  D   44  GLY  D  1522  .  ?        ?  
 397  1  1  D   45  TYR  D  1523  .  ?        ?  
 398  1  1  D   46  GLU  D  1524  .  ?        ?  
 399  1  1  D   47  CYS  D  1525  .  ?        ?  
 400  1  1  D   48  ASP  D  1526  .  ?        ?  
 401  1  1  D   49  VAL  D  1527  .  ?        ?  
 402  1  1  D   50  LEU  D  1528  .  ?        ?  
 403  1  1  D   51  GLY  D  1529  .  ?        ?  
 404  1  1  D   52  LYS  D  1530  .  ?        ?  
 405  1  1  D   53  ASP  D  1531  .  ?        ?  
 406  1  1  D   54  ILE  D  1532  .  ?        ?  
 407  1  1  D   55  LEU  D  1533  .  ?        ?  
 408  1  1  D   56  LEU  D  1534  .  ?        2  
 409  1  1  D   57  CYS  D  1535  .  ?        ?  
 410  1  1  D   58  ASP  D  1536  .  ?        1  
 411  1  1  D   59  PRO  D  1537  .  ?        1  
 412  1  1  D   60  ILE  D  1538  .  ?        ?  
 413  1  1  D   61  PRO  D  1539  .  ?        ?  
 414  1  1  D   62  LEU  D  1540  .  ?        1  
 415  1  1  D   63  ASP  D  1541  .  ?        ?  
 416  1  1  D   64  THR  D  1542  .  ?        1  
 417  1  1  D   65  GLU  D  1543  .  ?        ?  
 418  1  1  D   66  VAL  D  1544  .  ?        1  
 419  1  1  D   67  THR  D  1545  .  ?        ?  
 420  1  1  D   68  ALA  D  1546  .  ?        ?  
 421  1  1  D   69  LEU  D  1547  .  ?        ?  
 422  1  1  D   70  SER  D  1548  .  ?        ?  
 423  1  1  D   71  CYS  D  1549  .  ?        1  
 424  1  1  D   72  ASP  D  1550  .  ?        1  
 425  1  1  D   73  GLU  D  1551  .  ?        1  
 426  1  1  D   74  TYR  D  1552  .  ?        ?  
 427  1  1  D   75  PHE  D  1553  .  ?        ?  
 428  1  1  D   76  SER  D  1554  .  ?        ?  
 429  1  1  D   77  ALA  D  1555  .  ?        ?  
 430  1  1  D   78  GLY  D  1556  .  ?        ?  
 431  1  1  D   79  VAL  D  1557  .  ?        ?  
 432  1  1  D   80  VAL  D  1558  .  ?        ?  
 433  1  1  D   81  LYS  D  1559  .  ?        ?  
 434  1  1  D   82  GLY  D  1560  .  ?        ?  
 435  1  1  D   83  HIS  D  1561  .  ?        ?  
 436  1  1  D   84  ARG  D  1562  .  ?        ?  
 437  1  1  D   85  LYS  D  1563  .  ?        3  
 438  1  1  D   86  GLU  D  1564  .  ?        ?  
 439  1  1  D   87  SER  D  1565  .  ?        ?  
 440  1  1  D   88  GLY  D  1566  .  ?        ?  
 441  1  1  D   89  CYS  D  1567  .  ?        1  
 442  1  1  D   90  LEU  D  1568  .  ?        ?  
 443  1  1  D   91  TYR  D  1569  .  ?        ?  
 444  1  1  D   92  TYR  D  1570  .  ?        ?  
 445  1  1  D   93  SER  D  1571  .  ?        ?  
 446  1  1  D   94  ILE  D  1572  .  ?        ?  
 447  1  1  D   95  GLU  D  1573  .  ?        ?  
 448  1  1  D   96  LYS  D  1574  .  ?        ?  
 449  1  1  D   97  GLU  D  1575  .  ?        ?  
 450  1  1  D   98  GLY  D  1576  .  ?        ?  
 451  1  1  D   99  GLN  D  1577  .  ?        ?  
 452  1  1  D  100  ARG  D  1578  .  ?        ?  
 453  1  1  D  101  LYS  D  1579  .  ?        ?  
 454  1  1  D  102  TRP  D  1580  .  ?        ?  
 455  1  1  D  103  TYR  D  1581  .  ?        ?  
 456  1  1  D  104  LYS  D  1582  .  ?        ?  
 457  1  1  D  105  ARG  D  1583  .  ?        ?  
 458  1  1  D  106  MET  D  1584  .  ?        ?  
 459  1  1  D  107  ALA  D  1585  .  ?        ?  
 460  1  1  D  108  VAL  D  1586  .  ?        ?  
 461  1  1  D  109  ILE  D  1587  .  ?        ?  
 462  1  1  D  110  LEU  D  1588  .  ?        1  
 463  1  1  D  111  SER  D  1589  .  ?        ?  
 464  1  1  D  112  LEU  D  1590  .  ?        ?  
 465  1  1  D  113  GLU  D  1591  .  ?        ?  
 466  1  1  D  114  GLN  D  1592  .  ?        ?  
 467  1  1  D  115  GLY  D  1593  .  ?        ?  
 468  1  1  D  116  ASN  D  1594  .  ?        ?  
 469  1  1  D  117  ARG  D  1595  .  ?        ?  
 470  1  1  D  118  LEU  D  1596  .  ?        1  
 471  1  1  D  119  ARG  D  1597  .  ?        ?  
 472  1  1  D  120  GLU  D  1598  .  ?        ?  
 473  1  1  D  121  GLN  D  1599  .  ?        ?  
 474  1  1  D  122  TYR  D  1600  .  ?        ?  
 475  1  1  D  123  GLY  D  1601  .  ?        ?  
 476  1  1  D  124  LEU  D  1602  .  ?        ?  
 477  1  1  E    6  ASN  E  1484  .  ?        ?  
 478  1  1  E    7  SER  E  1485  .  ?        ?  
 479  1  1  E    8  PHE  E  1486  .  ?        ?  
 480  1  1  E    9  VAL  E  1487  .  ?        ?  
 481  1  1  E   10  GLY  E  1488  .  ?        ?  
 482  1  1  E   11  LEU  E  1489  .  ?        ?  
 483  1  1  E   12  ARG  E  1490  .  ?        ?  
 484  1  1  E   13  VAL  E  1491  .  ?        2  
 485  1  1  E   14  VAL  E  1492  .  ?        1  
 486  1  1  E   15  ALA  E  1493  .  ?        ?  
 487  1  1  E   16  LYS  E  1494  .  ?        ?  
 488  1  1  E   17  TRP  E  1495  .  ?        ?  
 489  1  1  E   18  SER  E  1496  .  ?        ?  
 490  1  1  E   19  SER  E  1497  .  ?        ?  
 491  1  1  E   20  ASN  E  1498  .  ?        ?  
 492  1  1  E   21  GLY  E  1499  .  ?        ?  
 493  1  1  E   22  TYR  E  1500  .  ?        ?  
 494  1  1  E   23  PHE  E  1501  .  ?        1  
 495  1  1  E   24  TYR  E  1502  .  ?        ?  
 496  1  1  E   25  SER  E  1503  .  ?        ?  
 497  1  1  E   26  GLY  E  1504  .  ?        ?  
 498  1  1  E   27  LYS  E  1505  .  ?        ?  
 499  1  1  E   28  ILE  E  1506  .  ?        ?  
 500  1  1  E   29  THR  E  1507  .  ?        ?  
 501  1  1  E   30  ARG  E  1508  .  ?        ?  
 502  1  1  E   31  ASP  E  1509  .  ?        ?  
 503  1  1  E   32  VAL  E  1510  .  ?        ?  
 504  1  1  E   33  GLY  E  1511  .  ?        ?  
 505  1  1  E   34  ALA  E  1512  .  ?        ?  
 506  1  1  E   35  GLY  E  1513  .  ?        ?  
 507  1  1  E   36  LYS  E  1514  .  ?        ?  
 508  1  1  E   37  TYR  E  1515  .  ?        ?  
 509  1  1  E   38  LYS  E  1516  .  ?        ?  
 510  1  1  E   39  LEU  E  1517  .  ?        ?  
 511  1  1  E   40  LEU  E  1518  .  ?        ?  
 512  1  1  E   41  PHE  E  1519  .  ?        ?  
 513  1  1  E   42  ASP  E  1520  .  ?        ?  
 514  1  1  E   43  ASP  E  1521  .  ?        ?  
 515  1  1  E   44  GLY  E  1522  .  ?        ?  
 516  1  1  E   45  TYR  E  1523  .  ?        ?  
 517  1  1  E   46  GLU  E  1524  .  ?        ?  
 518  1  1  E   47  CYS  E  1525  .  ?        ?  
 519  1  1  E   48  ASP  E  1526  .  ?        ?  
 520  1  1  E   49  VAL  E  1527  .  ?        ?  
 521  1  1  E   50  LEU  E  1528  .  ?        ?  
 522  1  1  E   51  GLY  E  1529  .  ?        ?  
 523  1  1  E   52  LYS  E  1530  .  ?        ?  
 524  1  1  E   53  ASP  E  1531  .  ?        ?  
 525  1  1  E   54  ILE  E  1532  .  ?        ?  
 526  1  1  E   55  LEU  E  1533  .  ?        ?  
 527  1  1  E   56  LEU  E  1534  .  ?        2  
 528  1  1  E   57  CYS  E  1535  .  ?        ?  
 529  1  1  E   58  ASP  E  1536  .  ?        1  
 530  1  1  E   59  PRO  E  1537  .  ?        1  
 531  1  1  E   60  ILE  E  1538  .  ?        ?  
 532  1  1  E   61  PRO  E  1539  .  ?        ?  
 533  1  1  E   62  LEU  E  1540  .  ?        ?  
 534  1  1  E   63  ASP  E  1541  .  ?        ?  
 535  1  1  E   64  THR  E  1542  .  ?        1  
 536  1  1  E   65  GLU  E  1543  .  ?        ?  
 537  1  1  E   66  VAL  E  1544  .  ?        1  
 538  1  1  E   67  THR  E  1545  .  ?        ?  
 539  1  1  E   68  ALA  E  1546  .  ?        ?  
 540  1  1  E   69  LEU  E  1547  .  ?        ?  
 541  1  1  E   70  SER  E  1548  .  ?        ?  
 542  1  1  E   71  CYS  E  1549  .  ?        ?  
 543  1  1  E   72  ASP  E  1550  .  ?        ?  
 544  1  1  E   73  GLU  E  1551  .  ?        ?  
 545  1  1  E   74  TYR  E  1552  .  ?        ?  
 546  1  1  E   75  PHE  E  1553  .  ?        ?  
 547  1  1  E   76  SER  E  1554  .  ?        ?  
 548  1  1  E   77  ALA  E  1555  .  ?        ?  
 549  1  1  E   78  GLY  E  1556  .  ?        ?  
 550  1  1  E   79  VAL  E  1557  .  ?        ?  
 551  1  1  E   80  VAL  E  1558  .  ?        ?  
 552  1  1  E   81  LYS  E  1559  .  ?        ?  
 553  1  1  E   82  GLY  E  1560  .  ?        ?  
 554  1  1  E   83  HIS  E  1561  .  ?        ?  
 555  1  1  E   84  ARG  E  1562  .  ?        ?  
 556  1  1  E   85  LYS  E  1563  .  ?        ?  
 557  1  1  E   86  GLU  E  1564  .  ?        ?  
 558  1  1  E   87  SER  E  1565  .  ?        ?  
 559  1  1  E   88  GLY  E  1566  .  ?        ?  
 560  1  1  E   89  CYS  E  1567  .  ?        ?  
 561  1  1  E   90  LEU  E  1568  .  ?        ?  
 562  1  1  E   91  TYR  E  1569  .  ?        ?  
 563  1  1  E   92  TYR  E  1570  .  ?        ?  
 564  1  1  E   93  SER  E  1571  .  ?        ?  
 565  1  1  E   94  ILE  E  1572  .  ?        ?  
 566  1  1  E   95  GLU  E  1573  .  ?        ?  
 567  1  1  E   96  LYS  E  1574  .  ?        ?  
 568  1  1  E   97  GLU  E  1575  .  ?        ?  
 569  1  1  E   98  GLY  E  1576  .  ?        ?  
 570  1  1  E   99  GLN  E  1577  .  ?        ?  
 571  1  1  E  100  ARG  E  1578  .  ?        ?  
 572  1  1  E  101  LYS  E  1579  .  ?        ?  
 573  1  1  E  102  TRP  E  1580  .  ?        ?  
 574  1  1  E  103  TYR  E  1581  .  ?        ?  
 575  1  1  E  104  LYS  E  1582  .  ?        ?  
 576  1  1  E  105  ARG  E  1583  .  ?        ?  
 577  1  1  E  106  MET  E  1584  .  ?        ?  
 578  1  1  E  107  ALA  E  1585  .  ?        ?  
 579  1  1  E  108  VAL  E  1586  .  ?        ?  
 580  1  1  E  109  ILE  E  1587  .  ?        ?  
 581  1  1  E  110  LEU  E  1588  .  ?        1  
 582  1  1  E  111  SER  E  1589  .  ?        ?  
 583  1  1  E  112  LEU  E  1590  .  ?        ?  
 584  1  1  E  113  GLU  E  1591  .  ?        ?  
 585  1  1  E  114  GLN  E  1592  .  ?        ?  
 586  1  1  E  115  GLY  E  1593  .  ?        ?  
 587  1  1  E  116  ASN  E  1594  .  ?        ?  
 588  1  1  E  117  ARG  E  1595  .  ?        ?  
 589  1  1  E  118  LEU  E  1596  .  ?        1  
 590  1  1  E  119  ARG  E  1597  .  ?        ?  
 591  1  1  E  120  GLU  E  1598  .  ?        ?  
 592  1  1  E  121  GLN  E  1599  .  ?        ?  
 593  1  1  E  122  TYR  E  1600  .  ?        ?  
 594  1  1  E  123  GLY  E  1601  .  ?        ?  
 595  1  1  E  124  LEU  E  1602  .  ?        ?  
 596  1  1  F    6  ASN  F  1484  .  ?        ?  
 597  1  1  F    7  SER  F  1485  .  ?        ?  
 598  1  1  F    8  PHE  F  1486  .  ?        ?  
 599  1  1  F    9  VAL  F  1487  .  ?        ?  
 600  1  1  F   10  GLY  F  1488  .  ?        ?  
 601  1  1  F   11  LEU  F  1489  .  ?        ?  
 602  1  1  F   12  ARG  F  1490  .  ?        ?  
 603  1  1  F   13  VAL  F  1491  .  ?        2  
 604  1  1  F   14  VAL  F  1492  .  ?        1  
 605  1  1  F   15  ALA  F  1493  .  ?        ?  
 606  1  1  F   16  LYS  F  1494  .  ?        ?  
 607  1  1  F   17  TRP  F  1495  .  ?        ?  
 608  1  1  F   18  SER  F  1496  .  ?        ?  
 609  1  1  F   19  SER  F  1497  .  ?        ?  
 610  1  1  F   20  ASN  F  1498  .  ?        ?  
 611  1  1  F   21  GLY  F  1499  .  ?        ?  
 612  1  1  F   22  TYR  F  1500  .  ?        ?  
 613  1  1  F   23  PHE  F  1501  .  ?        1  
 614  1  1  F   24  TYR  F  1502  .  ?        ?  
 615  1  1  F   25  SER  F  1503  .  ?        ?  
 616  1  1  F   26  GLY  F  1504  .  ?        ?  
 617  1  1  F   27  LYS  F  1505  .  ?        ?  
 618  1  1  F   28  ILE  F  1506  .  ?        ?  
 619  1  1  F   29  THR  F  1507  .  ?        ?  
 620  1  1  F   30  ARG  F  1508  .  ?        ?  
 621  1  1  F   31  ASP  F  1509  .  ?        ?  
 622  1  1  F   32  VAL  F  1510  .  ?        1  
 623  1  1  F   33  GLY  F  1511  .  ?        1  
 624  1  1  F   34  ALA  F  1512  .  ?        ?  
 625  1  1  F   35  GLY  F  1513  .  ?        ?  
 626  1  1  F   36  LYS  F  1514  .  ?        ?  
 627  1  1  F   37  TYR  F  1515  .  ?        ?  
 628  1  1  F   38  LYS  F  1516  .  ?        ?  
 629  1  1  F   39  LEU  F  1517  .  ?        ?  
 630  1  1  F   40  LEU  F  1518  .  ?        ?  
 631  1  1  F   41  PHE  F  1519  .  ?        ?  
 632  1  1  F   42  ASP  F  1520  .  ?        ?  
 633  1  1  F   43  ASP  F  1521  .  ?        ?  
 634  1  1  F   44  GLY  F  1522  .  ?        ?  
 635  1  1  F   45  TYR  F  1523  .  ?        ?  
 636  1  1  F   46  GLU  F  1524  .  ?        ?  
 637  1  1  F   47  CYS  F  1525  .  ?        ?  
 638  1  1  F   48  ASP  F  1526  .  ?        ?  
 639  1  1  F   49  VAL  F  1527  .  ?        ?  
 640  1  1  F   50  LEU  F  1528  .  ?        ?  
 641  1  1  F   51  GLY  F  1529  .  ?        ?  
 642  1  1  F   52  LYS  F  1530  .  ?        ?  
 643  1  1  F   53  ASP  F  1531  .  ?        ?  
 644  1  1  F   54  ILE  F  1532  .  ?        ?  
 645  1  1  F   55  LEU  F  1533  .  ?        ?  
 646  1  1  F   56  LEU  F  1534  .  ?        3  
 647  1  1  F   57  CYS  F  1535  .  ?        ?  
 648  1  1  F   58  ASP  F  1536  .  ?        1  
 649  1  1  F   59  PRO  F  1537  .  ?        1  
 650  1  1  F   60  ILE  F  1538  .  ?        ?  
 651  1  1  F   61  PRO  F  1539  .  ?        ?  
 652  1  1  F   62  LEU  F  1540  .  ?        1  
 653  1  1  F   63  ASP  F  1541  .  ?        ?  
 654  1  1  F   64  THR  F  1542  .  ?        1  
 655  1  1  F   65  GLU  F  1543  .  ?        ?  
 656  1  1  F   66  VAL  F  1544  .  ?        ?  
 657  1  1  F   67  THR  F  1545  .  ?        ?  
 658  1  1  F   68  ALA  F  1546  .  ?        ?  
 659  1  1  F   69  LEU  F  1547  .  ?        ?  
 660  1  1  F   70  SER  F  1548  .  ?        ?  
 661  1  1  F   71  CYS  F  1549  .  ?        ?  
 662  1  1  F   72  ASP  F  1550  .  ?        ?  
 663  1  1  F   73  GLU  F  1551  .  ?        ?  
 664  1  1  F   74  TYR  F  1552  .  ?        ?  
 665  1  1  F   75  PHE  F  1553  .  ?        ?  
 666  1  1  F   76  SER  F  1554  .  ?        ?  
 667  1  1  F   77  ALA  F  1555  .  ?        ?  
 668  1  1  F   78  GLY  F  1556  .  ?        ?  
 669  1  1  F   79  VAL  F  1557  .  ?        ?  
 670  1  1  F   80  VAL  F  1558  .  ?        ?  
 671  1  1  F   81  LYS  F  1559  .  ?        1  
 672  1  1  F   82  GLY  F  1560  .  ?        ?  
 673  1  1  F   83  HIS  F  1561  .  ?        ?  
 674  1  1  F   84  ARG  F  1562  .  ?        ?  
 675  1  1  F   85  LYS  F  1563  .  ?        1  
 676  1  1  F   86  GLU  F  1564  .  ?        ?  
 677  1  1  F   87  SER  F  1565  .  ?        ?  
 678  1  1  F   88  GLY  F  1566  .  ?        ?  
 679  1  1  F   89  CYS  F  1567  .  ?        ?  
 680  1  1  F   90  LEU  F  1568  .  ?        ?  
 681  1  1  F   91  TYR  F  1569  .  ?        ?  
 682  1  1  F   92  TYR  F  1570  .  ?        ?  
 683  1  1  F   93  SER  F  1571  .  ?        ?  
 684  1  1  F   94  ILE  F  1572  .  ?        ?  
 685  1  1  F   95  GLU  F  1573  .  ?        ?  
 686  1  1  F   96  LYS  F  1574  .  ?        ?  
 687  1  1  F   97  GLU  F  1575  .  ?        ?  
 688  1  1  F   98  GLY  F  1576  .  ?        ?  
 689  1  1  F   99  GLN  F  1577  .  ?        ?  
 690  1  1  F  100  ARG  F  1578  .  ?        ?  
 691  1  1  F  101  LYS  F  1579  .  ?        ?  
 692  1  1  F  102  TRP  F  1580  .  ?        ?  
 693  1  1  F  103  TYR  F  1581  .  ?        ?  
 694  1  1  F  104  LYS  F  1582  .  ?        ?  
 695  1  1  F  105  ARG  F  1583  .  ?        ?  
 696  1  1  F  106  MET  F  1584  .  ?        ?  
 697  1  1  F  107  ALA  F  1585  .  ?        ?  
 698  1  1  F  108  VAL  F  1586  .  ?        ?  
 699  1  1  F  109  ILE  F  1587  .  ?        ?  
 700  1  1  F  110  LEU  F  1588  .  ?        1  
 701  1  1  F  111  SER  F  1589  .  ?        ?  
 702  1  1  F  112  LEU  F  1590  .  ?        ?  
 703  1  1  F  113  GLU  F  1591  .  ?        ?  
 704  1  1  F  114  GLN  F  1592  .  ?        ?  
 705  1  1  F  115  GLY  F  1593  .  ?        ?  
 706  1  1  F  116  ASN  F  1594  .  ?        ?  
 707  1  1  F  117  ARG  F  1595  .  ?        ?  
 708  1  1  F  118  LEU  F  1596  .  ?        2  
 709  1  1  F  119  ARG  F  1597  .  ?        ?  
 710  1  1  F  120  GLU  F  1598  .  ?        ?  
 711  1  1  F  121  GLN  F  1599  .  ?        ?  
 712  1  1  F  122  TYR  F  1600  .  ?        ?  
 713  1  1  F  123  GLY  F  1601  .  ?        ?  
 714  1  1  F  124  LEU  F  1602  .  ?        1  
 715  1  1  F  125  GLY  F  1603  .  ?        ?  
 716  1  1  G    6  ASN  G  1484  .  ?        ?  
 717  1  1  G    7  SER  G  1485  .  ?        ?  
 718  1  1  G    8  PHE  G  1486  .  ?        ?  
 719  1  1  G    9  VAL  G  1487  .  ?        ?  
 720  1  1  G   10  GLY  G  1488  .  ?        ?  
 721  1  1  G   11  LEU  G  1489  .  ?        ?  
 722  1  1  G   12  ARG  G  1490  .  ?        ?  
 723  1  1  G   13  VAL  G  1491  .  ?        2  
 724  1  1  G   14  VAL  G  1492  .  ?        ?  
 725  1  1  G   15  ALA  G  1493  .  ?        ?  
 726  1  1  G   16  LYS  G  1494  .  ?        ?  
 727  1  1  G   17  TRP  G  1495  .  ?        ?  
 728  1  1  G   18  SER  G  1496  .  ?        ?  
 729  1  1  G   19  SER  G  1497  .  ?        ?  
 730  1  1  G   20  ASN  G  1498  .  ?        ?  
 731  1  1  G   21  GLY  G  1499  .  ?        ?  
 732  1  1  G   22  TYR  G  1500  .  ?        ?  
 733  1  1  G   23  PHE  G  1501  .  ?        1  
 734  1  1  G   24  TYR  G  1502  .  ?        ?  
 735  1  1  G   25  SER  G  1503  .  ?        ?  
 736  1  1  G   26  GLY  G  1504  .  ?        ?  
 737  1  1  G   27  LYS  G  1505  .  ?        ?  
 738  1  1  G   28  ILE  G  1506  .  ?        ?  
 739  1  1  G   29  THR  G  1507  .  ?        ?  
 740  1  1  G   30  ARG  G  1508  .  ?        ?  
 741  1  1  G   31  ASP  G  1509  .  ?        ?  
 742  1  1  G   32  VAL  G  1510  .  ?        1  
 743  1  1  G   33  GLY  G  1511  .  ?        1  
 744  1  1  G   34  ALA  G  1512  .  ?        ?  
 745  1  1  G   35  GLY  G  1513  .  ?        ?  
 746  1  1  G   36  LYS  G  1514  .  ?        ?  
 747  1  1  G   37  TYR  G  1515  .  ?        ?  
 748  1  1  G   38  LYS  G  1516  .  ?        ?  
 749  1  1  G   39  LEU  G  1517  .  ?        ?  
 750  1  1  G   40  LEU  G  1518  .  ?        ?  
 751  1  1  G   41  PHE  G  1519  .  ?        ?  
 752  1  1  G   42  ASP  G  1520  .  ?        ?  
 753  1  1  G   43  ASP  G  1521  .  ?        ?  
 754  1  1  G   44  GLY  G  1522  .  ?        ?  
 755  1  1  G   45  TYR  G  1523  .  ?        ?  
 756  1  1  G   46  GLU  G  1524  .  ?        ?  
 757  1  1  G   47  CYS  G  1525  .  ?        ?  
 758  1  1  G   48  ASP  G  1526  .  ?        ?  
 759  1  1  G   49  VAL  G  1527  .  ?        ?  
 760  1  1  G   50  LEU  G  1528  .  ?        ?  
 761  1  1  G   51  GLY  G  1529  .  ?        ?  
 762  1  1  G   52  LYS  G  1530  .  ?        ?  
 763  1  1  G   53  ASP  G  1531  .  ?        ?  
 764  1  1  G   54  ILE  G  1532  .  ?        ?  
 765  1  1  G   55  LEU  G  1533  .  ?        ?  
 766  1  1  G   56  LEU  G  1534  .  ?        2  
 767  1  1  G   57  CYS  G  1535  .  ?        ?  
 768  1  1  G   58  ASP  G  1536  .  ?        1  
 769  1  1  G   59  PRO  G  1537  .  ?        1  
 770  1  1  G   60  ILE  G  1538  .  ?        ?  
 771  1  1  G   61  PRO  G  1539  .  ?        ?  
 772  1  1  G   62  LEU  G  1540  .  ?        ?  
 773  1  1  G   63  ASP  G  1541  .  ?        ?  
 774  1  1  G   64  THR  G  1542  .  ?        ?  
 775  1  1  G   65  GLU  G  1543  .  ?        ?  
 776  1  1  G   66  VAL  G  1544  .  ?        ?  
 777  1  1  G   67  THR  G  1545  .  ?        ?  
 778  1  1  G   68  ALA  G  1546  .  ?        ?  
 779  1  1  G   69  LEU  G  1547  .  ?        ?  
 780  1  1  G   70  SER  G  1548  .  ?        ?  
 781  1  1  G   71  CYS  G  1549  .  ?        ?  
 782  1  1  G   72  ASP  G  1550  .  ?        ?  
 783  1  1  G   73  GLU  G  1551  .  ?        1  
 784  1  1  G   74  TYR  G  1552  .  ?        ?  
 785  1  1  G   75  PHE  G  1553  .  ?        ?  
 786  1  1  G   76  SER  G  1554  .  ?        ?  
 787  1  1  G   77  ALA  G  1555  .  ?        ?  
 788  1  1  G   78  GLY  G  1556  .  ?        ?  
 789  1  1  G   79  VAL  G  1557  .  ?        ?  
 790  1  1  G   80  VAL  G  1558  .  ?        1  
 791  1  1  G   81  LYS  G  1559  .  ?        ?  
 792  1  1  G   82  GLY  G  1560  .  ?        ?  
 793  1  1  G   83  HIS  G  1561  .  ?        ?  
 794  1  1  G   84  ARG  G  1562  .  ?        ?  
 795  1  1  G   85  LYS  G  1563  .  ?        ?  
 796  1  1  G   86  GLU  G  1564  .  ?        ?  
 797  1  1  G   87  SER  G  1565  .  ?        ?  
 798  1  1  G   88  GLY  G  1566  .  ?        ?  
 799  1  1  G   89  CYS  G  1567  .  ?        ?  
 800  1  1  G   90  LEU  G  1568  .  ?        ?  
 801  1  1  G   91  TYR  G  1569  .  ?        ?  
 802  1  1  G   92  TYR  G  1570  .  ?        ?  
 803  1  1  G   93  SER  G  1571  .  ?        ?  
 804  1  1  G   94  ILE  G  1572  .  ?        1  
 805  1  1  G   95  GLU  G  1573  .  ?        ?  
 806  1  1  G   96  LYS  G  1574  .  ?        1  
 807  1  1  G   97  GLU  G  1575  .  ?        ?  
 808  1  1  G   98  GLY  G  1576  .  ?        ?  
 809  1  1  G   99  GLN  G  1577  .  ?        ?  
 810  1  1  G  100  ARG  G  1578  .  ?        ?  
 811  1  1  G  101  LYS  G  1579  .  ?        ?  
 812  1  1  G  102  TRP  G  1580  .  ?        ?  
 813  1  1  G  103  TYR  G  1581  .  ?        ?  
 814  1  1  G  104  LYS  G  1582  .  ?        ?  
 815  1  1  G  105  ARG  G  1583  .  ?        ?  
 816  1  1  G  106  MET  G  1584  .  ?        ?  
 817  1  1  G  107  ALA  G  1585  .  ?        ?  
 818  1  1  G  108  VAL  G  1586  .  ?        ?  
 819  1  1  G  109  ILE  G  1587  .  ?        ?  
 820  1  1  G  110  LEU  G  1588  .  ?        1  
 821  1  1  G  111  SER  G  1589  .  ?        ?  
 822  1  1  G  112  LEU  G  1590  .  ?        ?  
 823  1  1  G  113  GLU  G  1591  .  ?        ?  
 824  1  1  G  114  GLN  G  1592  .  ?        ?  
 825  1  1  G  115  GLY  G  1593  .  ?        ?  
 826  1  1  G  116  ASN  G  1594  .  ?        ?  
 827  1  1  G  117  ARG  G  1595  .  ?        ?  
 828  1  1  G  118  LEU  G  1596  .  ?        ?  
 829  1  1  G  119  ARG  G  1597  .  ?        ?  
 830  1  1  G  120  GLU  G  1598  .  ?        ?  
 831  1  1  G  121  GLN  G  1599  .  ?        ?  
 832  1  1  G  122  TYR  G  1600  .  ?        ?  
 833  1  1  G  123  GLY  G  1601  .  ?        ?  
 834  1  1  G  124  LEU  G  1602  .  ?        ?  
 835  1  1  G  125  GLY  G  1603  .  ?        ?  
 836  1  1  H    6  ASN  H  1484  .  ?        ?  
 837  1  1  H    7  SER  H  1485  .  ?        ?  
 838  1  1  H    8  PHE  H  1486  .  ?        2  
 839  1  1  H    9  VAL  H  1487  .  ?        ?  
 840  1  1  H   10  GLY  H  1488  .  ?        ?  
 841  1  1  H   11  LEU  H  1489  .  ?        3  
 842  1  1  H   12  ARG  H  1490  .  ?        ?  
 843  1  1  H   13  VAL  H  1491  .  ?        2  
 844  1  1  H   14  VAL  H  1492  .  ?        ?  
 845  1  1  H   15  ALA  H  1493  .  ?        ?  
 846  1  1  H   16  LYS  H  1494  .  ?        ?  
 847  1  1  H   17  TRP  H  1495  .  ?        ?  
 848  1  1  H   18  SER  H  1496  .  ?        ?  
 849  1  1  H   19  SER  H  1497  .  ?        ?  
 850  1  1  H   20  ASN  H  1498  .  ?        ?  
 851  1  1  H   21  GLY  H  1499  .  ?        ?  
 852  1  1  H   22  TYR  H  1500  .  ?        ?  
 853  1  1  H   23  PHE  H  1501  .  ?        ?  
 854  1  1  H   24  TYR  H  1502  .  ?        ?  
 855  1  1  H   25  SER  H  1503  .  ?        ?  
 856  1  1  H   26  GLY  H  1504  .  ?        ?  
 857  1  1  H   27  LYS  H  1505  .  ?        ?  
 858  1  1  H   28  ILE  H  1506  .  ?        1  
 859  1  1  H   29  THR  H  1507  .  ?        ?  
 860  1  1  H   30  ARG  H  1508  .  ?        ?  
 861  1  1  H   31  ASP  H  1509  .  ?        ?  
 862  1  1  H   32  VAL  H  1510  .  ?        1  
 863  1  1  H   33  GLY  H  1511  .  ?        1  
 864  1  1  H   34  ALA  H  1512  .  ?        ?  
 865  1  1  H   35  GLY  H  1513  .  ?        ?  
 866  1  1  H   36  LYS  H  1514  .  ?        ?  
 867  1  1  H   37  TYR  H  1515  .  ?        ?  
 868  1  1  H   38  LYS  H  1516  .  ?        ?  
 869  1  1  H   39  LEU  H  1517  .  ?        ?  
 870  1  1  H   40  LEU  H  1518  .  ?        ?  
 871  1  1  H   41  PHE  H  1519  .  ?        ?  
 872  1  1  H   42  ASP  H  1520  .  ?        ?  
 873  1  1  H   43  ASP  H  1521  .  ?        ?  
 874  1  1  H   44  GLY  H  1522  .  ?        ?  
 875  1  1  H   45  TYR  H  1523  .  ?        ?  
 876  1  1  H   46  GLU  H  1524  .  ?        ?  
 877  1  1  H   47  CYS  H  1525  .  ?        ?  
 878  1  1  H   48  ASP  H  1526  .  ?        ?  
 879  1  1  H   49  VAL  H  1527  .  ?        ?  
 880  1  1  H   50  LEU  H  1528  .  ?        ?  
 881  1  1  H   51  GLY  H  1529  .  ?        ?  
 882  1  1  H   52  LYS  H  1530  .  ?        ?  
 883  1  1  H   53  ASP  H  1531  .  ?        ?  
 884  1  1  H   54  ILE  H  1532  .  ?        ?  
 885  1  1  H   55  LEU  H  1533  .  ?        ?  
 886  1  1  H   56  LEU  H  1534  .  ?        2  
 887  1  1  H   57  CYS  H  1535  .  ?        ?  
 888  1  1  H   58  ASP  H  1536  .  ?        1  
 889  1  1  H   59  PRO  H  1537  .  ?        1  
 890  1  1  H   60  ILE  H  1538  .  ?        ?  
 891  1  1  H   61  PRO  H  1539  .  ?        ?  
 892  1  1  H   62  LEU  H  1540  .  ?        2  
 893  1  1  H   63  ASP  H  1541  .  ?        1  
 894  1  1  H   64  THR  H  1542  .  ?        1  
 895  1  1  H   65  GLU  H  1543  .  ?        ?  
 896  1  1  H   66  VAL  H  1544  .  ?        ?  
 897  1  1  H   67  THR  H  1545  .  ?        ?  
 898  1  1  H   68  ALA  H  1546  .  ?        ?  
 899  1  1  H   69  LEU  H  1547  .  ?        ?  
 900  1  1  H   70  SER  H  1548  .  ?        ?  
 901  1  1  H   71  CYS  H  1549  .  ?        ?  
 902  1  1  H   72  ASP  H  1550  .  ?        ?  
 903  1  1  H   73  GLU  H  1551  .  ?        ?  
 904  1  1  H   74  TYR  H  1552  .  ?        ?  
 905  1  1  H   75  PHE  H  1553  .  ?        ?  
 906  1  1  H   76  SER  H  1554  .  ?        ?  
 907  1  1  H   77  ALA  H  1555  .  ?        ?  
 908  1  1  H   78  GLY  H  1556  .  ?        ?  
 909  1  1  H   79  VAL  H  1557  .  ?        ?  
 910  1  1  H   80  VAL  H  1558  .  ?        1  
 911  1  1  H   81  LYS  H  1559  .  ?        ?  
 912  1  1  H   82  GLY  H  1560  .  ?        ?  
 913  1  1  H   83  HIS  H  1561  .  ?        ?  
 914  1  1  H   84  ARG  H  1562  .  ?        ?  
 915  1  1  H   85  LYS  H  1563  .  ?        1  
 916  1  1  H   86  GLU  H  1564  .  ?        ?  
 917  1  1  H   87  SER  H  1565  .  ?        ?  
 918  1  1  H   88  GLY  H  1566  .  ?        ?  
 919  1  1  H   89  CYS  H  1567  .  ?        ?  
 920  1  1  H   90  LEU  H  1568  .  ?        ?  
 921  1  1  H   91  TYR  H  1569  .  ?        ?  
 922  1  1  H   92  TYR  H  1570  .  ?        ?  
 923  1  1  H   93  SER  H  1571  .  ?        ?  
 924  1  1  H   94  ILE  H  1572  .  ?        1  
 925  1  1  H   95  GLU  H  1573  .  ?        ?  
 926  1  1  H   96  LYS  H  1574  .  ?        ?  
 927  1  1  H   97  GLU  H  1575  .  ?        ?  
 928  1  1  H   98  GLY  H  1576  .  ?        ?  
 929  1  1  H   99  GLN  H  1577  .  ?        ?  
 930  1  1  H  100  ARG  H  1578  .  ?        ?  
 931  1  1  H  101  LYS  H  1579  .  ?        ?  
 932  1  1  H  102  TRP  H  1580  .  ?        ?  
 933  1  1  H  103  TYR  H  1581  .  ?        ?  
 934  1  1  H  104  LYS  H  1582  .  ?        ?  
 935  1  1  H  105  ARG  H  1583  .  ?        ?  
 936  1  1  H  106  MET  H  1584  .  ?        ?  
 937  1  1  H  107  ALA  H  1585  .  ?        ?  
 938  1  1  H  108  VAL  H  1586  .  ?        ?  
 939  1  1  H  109  ILE  H  1587  .  ?        ?  
 940  1  1  H  110  LEU  H  1588  .  ?        ?  
 941  1  1  H  111  SER  H  1589  .  ?        ?  
 942  1  1  H  112  LEU  H  1590  .  ?        ?  
 943  1  1  H  113  GLU  H  1591  .  ?        ?  
 944  1  1  H  114  GLN  H  1592  .  ?        ?  
 945  1  1  H  115  GLY  H  1593  .  ?        ?  
 946  1  1  H  116  ASN  H  1594  .  ?        ?  
 947  1  1  H  117  ARG  H  1595  .  ?        ?  
 948  1  1  H  118  LEU  H  1596  .  ?        1  
 949  1  1  H  119  ARG  H  1597  .  ?        ?  
 950  1  1  H  120  GLU  H  1598  .  ?        ?  
 951  1  1  H  121  GLN  H  1599  .  ?        ?  
 952  1  1  H  122  TYR  H  1600  .  ?        ?  
 953  1  1  H  123  GLY  H  1601  .  ?        ?  
 954  1  1  H  124  LEU  H  1602  .  ?        ?  
 955  1  1  H  125  GLY  H  1603  .  ?        ?  
 956  1  1  I    6  ASN  I  1484  .  ?        ?  
 957  1  1  I    7  SER  I  1485  .  ?        ?  
 958  1  1  I    8  PHE  I  1486  .  ?        1  
 959  1  1  I    9  VAL  I  1487  .  ?        ?  
 960  1  1  I   10  GLY  I  1488  .  ?        ?  
 961  1  1  I   11  LEU  I  1489  .  ?        ?  
 962  1  1  I   12  ARG  I  1490  .  ?        ?  
 963  1  1  I   13  VAL  I  1491  .  ?        3  
 964  1  1  I   14  VAL  I  1492  .  ?        1  
 965  1  1  I   15  ALA  I  1493  .  ?        ?  
 966  1  1  I   16  LYS  I  1494  .  ?        ?  
 967  1  1  I   17  TRP  I  1495  .  ?        ?  
 968  1  1  I   18  SER  I  1496  .  ?        ?  
 969  1  1  I   19  SER  I  1497  .  ?        ?  
 970  1  1  I   20  ASN  I  1498  .  ?        ?  
 971  1  1  I   21  GLY  I  1499  .  ?        ?  
 972  1  1  I   22  TYR  I  1500  .  ?        ?  
 973  1  1  I   23  PHE  I  1501  .  ?        1  
 974  1  1  I   24  TYR  I  1502  .  ?        ?  
 975  1  1  I   25  SER  I  1503  .  ?        ?  
 976  1  1  I   26  GLY  I  1504  .  ?        ?  
 977  1  1  I   27  LYS  I  1505  .  ?        ?  
 978  1  1  I   28  ILE  I  1506  .  ?        2  
 979  1  1  I   29  THR  I  1507  .  ?        ?  
 980  1  1  I   30  ARG  I  1508  .  ?        ?  
 981  1  1  I   31  ASP  I  1509  .  ?        ?  
 982  1  1  I   32  VAL  I  1510  .  ?        1  
 983  1  1  I   33  GLY  I  1511  .  ?        1  
 984  1  1  I   34  ALA  I  1512  .  ?        ?  
 985  1  1  I   35  GLY  I  1513  .  ?        ?  
 986  1  1  I   36  LYS  I  1514  .  ?        ?  
 987  1  1  I   37  TYR  I  1515  .  ?        ?  
 988  1  1  I   38  LYS  I  1516  .  ?        ?  
 989  1  1  I   39  LEU  I  1517  .  ?        ?  
 990  1  1  I   40  LEU  I  1518  .  ?        ?  
 991  1  1  I   41  PHE  I  1519  .  ?        ?  
 992  1  1  I   42  ASP  I  1520  .  ?        ?  
 993  1  1  I   43  ASP  I  1521  .  ?        ?  
 994  1  1  I   44  GLY  I  1522  .  ?        ?  
 995  1  1  I   45  TYR  I  1523  .  ?        ?  
 996  1  1  I   46  GLU  I  1524  .  ?        ?  
 997  1  1  I   47  CYS  I  1525  .  ?        ?  
 998  1  1  I   48  ASP  I  1526  .  ?        ?  
 999  1  1  I   49  VAL  I  1527  .  ?        ?  
1000  1  1  I   50  LEU  I  1528  .  ?        ?  
1001  1  1  I   51  GLY  I  1529  .  ?        ?  
1002  1  1  I   52  LYS  I  1530  .  ?        ?  
1003  1  1  I   53  ASP  I  1531  .  ?        ?  
1004  1  1  I   54  ILE  I  1532  .  ?        ?  
1005  1  1  I   55  LEU  I  1533  .  ?        ?  
1006  1  1  I   56  LEU  I  1534  .  ?        2  
1007  1  1  I   57  CYS  I  1535  .  ?        ?  
1008  1  1  I   58  ASP  I  1536  .  ?        1  
1009  1  1  I   59  PRO  I  1537  .  ?        1  
1010  1  1  I   60  ILE  I  1538  .  ?        ?  
1011  1  1  I   61  PRO  I  1539  .  ?        ?  
1012  1  1  I   62  LEU  I  1540  .  ?        1  
1013  1  1  I   63  ASP  I  1541  .  ?        ?  
1014  1  1  I   64  THR  I  1542  .  ?        1  
1015  1  1  I   65  GLU  I  1543  .  ?        ?  
1016  1  1  I   66  VAL  I  1544  .  ?        1  
1017  1  1  I   67  THR  I  1545  .  ?        ?  
1018  1  1  I   68  ALA  I  1546  .  ?        ?  
1019  1  1  I   69  LEU  I  1547  .  ?        ?  
1020  1  1  I   70  SER  I  1548  .  ?        ?  
1021  1  1  I   71  CYS  I  1549  .  ?        ?  
1022  1  1  I   72  ASP  I  1550  .  ?        ?  
1023  1  1  I   73  GLU  I  1551  .  ?        ?  
1024  1  1  I   74  TYR  I  1552  .  ?        ?  
1025  1  1  I   75  PHE  I  1553  .  ?        ?  
1026  1  1  I   76  SER  I  1554  .  ?        ?  
1027  1  1  I   77  ALA  I  1555  .  ?        ?  
1028  1  1  I   78  GLY  I  1556  .  ?        ?  
1029  1  1  I   79  VAL  I  1557  .  ?        ?  
1030  1  1  I   80  VAL  I  1558  .  ?        1  
1031  1  1  I   81  LYS  I  1559  .  ?        ?  
1032  1  1  I   82  GLY  I  1560  .  ?        ?  
1033  1  1  I   83  HIS  I  1561  .  ?        ?  
1034  1  1  I   84  ARG  I  1562  .  ?        ?  
1035  1  1  I   85  LYS  I  1563  .  ?        2  
1036  1  1  I   86  GLU  I  1564  .  ?        ?  
1037  1  1  I   87  SER  I  1565  .  ?        ?  
1038  1  1  I   88  GLY  I  1566  .  ?        ?  
1039  1  1  I   89  CYS  I  1567  .  ?        ?  
1040  1  1  I   90  LEU  I  1568  .  ?        ?  
1041  1  1  I   91  TYR  I  1569  .  ?        ?  
1042  1  1  I   92  TYR  I  1570  .  ?        ?  
1043  1  1  I   93  SER  I  1571  .  ?        ?  
1044  1  1  I   94  ILE  I  1572  .  ?        1  
1045  1  1  I   95  GLU  I  1573  .  ?        ?  
1046  1  1  I   96  LYS  I  1574  .  ?        ?  
1047  1  1  I   97  GLU  I  1575  .  ?        ?  
1048  1  1  I   98  GLY  I  1576  .  ?        ?  
1049  1  1  I   99  GLN  I  1577  .  ?        ?  
1050  1  1  I  100  ARG  I  1578  .  ?        ?  
1051  1  1  I  101  LYS  I  1579  .  ?        ?  
1052  1  1  I  102  TRP  I  1580  .  ?        ?  
1053  1  1  I  103  TYR  I  1581  .  ?        ?  
1054  1  1  I  104  LYS  I  1582  .  ?        ?  
1055  1  1  I  105  ARG  I  1583  .  ?        ?  
1056  1  1  I  106  MET  I  1584  .  ?        ?  
1057  1  1  I  107  ALA  I  1585  .  ?        ?  
1058  1  1  I  108  VAL  I  1586  .  ?        ?  
1059  1  1  I  109  ILE  I  1587  .  ?        ?  
1060  1  1  I  110  LEU  I  1588  .  ?        1  
1061  1  1  I  111  SER  I  1589  .  ?        ?  
1062  1  1  I  112  LEU  I  1590  .  ?        ?  
1063  1  1  I  113  GLU  I  1591  .  ?        ?  
1064  1  1  I  114  GLN  I  1592  .  ?        ?  
1065  1  1  I  115  GLY  I  1593  .  ?        ?  
1066  1  1  I  116  ASN  I  1594  .  ?        ?  
1067  1  1  I  117  ARG  I  1595  .  ?        ?  
1068  1  1  I  118  LEU  I  1596  .  ?        1  
1069  1  1  I  119  ARG  I  1597  .  ?        ?  
1070  1  1  I  120  GLU  I  1598  .  ?        ?  
1071  1  1  I  121  GLN  I  1599  .  ?        ?  
1072  1  1  I  122  TYR  I  1600  .  ?        ?  
1073  1  1  I  123  GLY  I  1601  .  ?        ?  
1074  1  1  I  124  LEU  I  1602  .  ?        ?  
1075  1  1  J    6  ASN  J  1484  .  ?        ?  
1076  1  1  J    7  SER  J  1485  .  ?        ?  
1077  1  1  J    8  PHE  J  1486  .  ?        ?  
1078  1  1  J    9  VAL  J  1487  .  ?        ?  
1079  1  1  J   10  GLY  J  1488  .  ?        ?  
1080  1  1  J   11  LEU  J  1489  .  ?        ?  
1081  1  1  J   12  ARG  J  1490  .  ?        ?  
1082  1  1  J   13  VAL  J  1491  .  ?        3  
1083  1  1  J   14  VAL  J  1492  .  ?        1  
1084  1  1  J   15  ALA  J  1493  .  ?        ?  
1085  1  1  J   16  LYS  J  1494  .  ?        ?  
1086  1  1  J   17  TRP  J  1495  .  ?        ?  
1087  1  1  J   18  SER  J  1496  .  ?        ?  
1088  1  1  J   19  SER  J  1497  .  ?        ?  
1089  1  1  J   20  ASN  J  1498  .  ?        ?  
1090  1  1  J   21  GLY  J  1499  .  ?        ?  
1091  1  1  J   22  TYR  J  1500  .  ?        ?  
1092  1  1  J   23  PHE  J  1501  .  ?        1  
1093  1  1  J   24  TYR  J  1502  .  ?        ?  
1094  1  1  J   25  SER  J  1503  .  ?        ?  
1095  1  1  J   26  GLY  J  1504  .  ?        ?  
1096  1  1  J   27  LYS  J  1505  .  ?        ?  
1097  1  1  J   28  ILE  J  1506  .  ?        ?  
1098  1  1  J   29  THR  J  1507  .  ?        ?  
1099  1  1  J   30  ARG  J  1508  .  ?        ?  
1100  1  1  J   31  ASP  J  1509  .  ?        ?  
1101  1  1  J   32  VAL  J  1510  .  ?        1  
1102  1  1  J   33  GLY  J  1511  .  ?        1  
1103  1  1  J   34  ALA  J  1512  .  ?        ?  
1104  1  1  J   35  GLY  J  1513  .  ?        ?  
1105  1  1  J   36  LYS  J  1514  .  ?        ?  
1106  1  1  J   37  TYR  J  1515  .  ?        ?  
1107  1  1  J   38  LYS  J  1516  .  ?        ?  
1108  1  1  J   39  LEU  J  1517  .  ?        ?  
1109  1  1  J   40  LEU  J  1518  .  ?        ?  
1110  1  1  J   41  PHE  J  1519  .  ?        ?  
1111  1  1  J   42  ASP  J  1520  .  ?        ?  
1112  1  1  J   43  ASP  J  1521  .  ?        ?  
1113  1  1  J   44  GLY  J  1522  .  ?        ?  
1114  1  1  J   45  TYR  J  1523  .  ?        ?  
1115  1  1  J   46  GLU  J  1524  .  ?        ?  
1116  1  1  J   47  CYS  J  1525  .  ?        ?  
1117  1  1  J   48  ASP  J  1526  .  ?        ?  
1118  1  1  J   49  VAL  J  1527  .  ?        ?  
1119  1  1  J   50  LEU  J  1528  .  ?        ?  
1120  1  1  J   51  GLY  J  1529  .  ?        ?  
1121  1  1  J   52  LYS  J  1530  .  ?        ?  
1122  1  1  J   53  ASP  J  1531  .  ?        ?  
1123  1  1  J   54  ILE  J  1532  .  ?        ?  
1124  1  1  J   55  LEU  J  1533  .  ?        ?  
1125  1  1  J   56  LEU  J  1534  .  ?        3  
1126  1  1  J   57  CYS  J  1535  .  ?        ?  
1127  1  1  J   58  ASP  J  1536  .  ?        1  
1128  1  1  J   59  PRO  J  1537  .  ?        1  
1129  1  1  J   60  ILE  J  1538  .  ?        ?  
1130  1  1  J   61  PRO  J  1539  .  ?        ?  
1131  1  1  J   62  LEU  J  1540  .  ?        1  
1132  1  1  J   63  ASP  J  1541  .  ?        ?  
1133  1  1  J   64  THR  J  1542  .  ?        1  
1134  1  1  J   65  GLU  J  1543  .  ?        ?  
1135  1  1  J   66  VAL  J  1544  .  ?        ?  
1136  1  1  J   67  THR  J  1545  .  ?        ?  
1137  1  1  J   68  ALA  J  1546  .  ?        ?  
1138  1  1  J   69  LEU  J  1547  .  ?        ?  
1139  1  1  J   70  SER  J  1548  .  ?        ?  
1140  1  1  J   71  CYS  J  1549  .  ?        ?  
1141  1  1  J   72  ASP  J  1550  .  ?        ?  
1142  1  1  J   73  GLU  J  1551  .  ?        1  
1143  1  1  J   74  TYR  J  1552  .  ?        ?  
1144  1  1  J   75  PHE  J  1553  .  ?        ?  
1145  1  1  J   76  SER  J  1554  .  ?        ?  
1146  1  1  J   77  ALA  J  1555  .  ?        ?  
1147  1  1  J   78  GLY  J  1556  .  ?        ?  
1148  1  1  J   79  VAL  J  1557  .  ?        ?  
1149  1  1  J   80  VAL  J  1558  .  ?        1  
1150  1  1  J   81  LYS  J  1559  .  ?        ?  
1151  1  1  J   82  GLY  J  1560  .  ?        ?  
1152  1  1  J   83  HIS  J  1561  .  ?        ?  
1153  1  1  J   84  ARG  J  1562  .  ?        ?  
1154  1  1  J   85  LYS  J  1563  .  ?        ?  
1155  1  1  J   86  GLU  J  1564  .  ?        ?  
1156  1  1  J   87  SER  J  1565  .  ?        ?  
1157  1  1  J   88  GLY  J  1566  .  ?        ?  
1158  1  1  J   89  CYS  J  1567  .  ?        ?  
1159  1  1  J   90  LEU  J  1568  .  ?        ?  
1160  1  1  J   91  TYR  J  1569  .  ?        ?  
1161  1  1  J   92  TYR  J  1570  .  ?        ?  
1162  1  1  J   93  SER  J  1571  .  ?        ?  
1163  1  1  J   94  ILE  J  1572  .  ?        ?  
1164  1  1  J   95  GLU  J  1573  .  ?        ?  
1165  1  1  J   96  LYS  J  1574  .  ?        1  
1166  1  1  J   97  GLU  J  1575  .  ?        ?  
1167  1  1  J   98  GLY  J  1576  .  ?        ?  
1168  1  1  J   99  GLN  J  1577  .  ?        ?  
1169  1  1  J  100  ARG  J  1578  .  ?        ?  
1170  1  1  J  101  LYS  J  1579  .  ?        ?  
1171  1  1  J  102  TRP  J  1580  .  ?        ?  
1172  1  1  J  103  TYR  J  1581  .  ?        ?  
1173  1  1  J  104  LYS  J  1582  .  ?        ?  
1174  1  1  J  105  ARG  J  1583  .  ?        ?  
1175  1  1  J  106  MET  J  1584  .  ?        ?  
1176  1  1  J  107  ALA  J  1585  .  ?        ?  
1177  1  1  J  108  VAL  J  1586  .  ?        ?  
1178  1  1  J  109  ILE  J  1587  .  ?        ?  
1179  1  1  J  110  LEU  J  1588  .  ?        ?  
1180  1  1  J  111  SER  J  1589  .  ?        ?  
1181  1  1  J  112  LEU  J  1590  .  ?        ?  
1182  1  1  J  113  GLU  J  1591  .  ?        ?  
1183  1  1  J  114  GLN  J  1592  .  ?        ?  
1184  1  1  J  115  GLY  J  1593  .  ?        ?  
1185  1  1  J  116  ASN  J  1594  .  ?        ?  
1186  1  1  J  117  ARG  J  1595  .  ?        ?  
1187  1  1  J  118  LEU  J  1596  .  ?        1  
1188  1  1  J  119  ARG  J  1597  .  ?        ?  
1189  1  1  J  120  GLU  J  1598  .  ?        ?  
1190  1  1  J  121  GLN  J  1599  .  ?        ?  
1191  1  1  J  122  TYR  J  1600  .  ?        ?  
1192  1  1  J  123  GLY  J  1601  .  ?        ?  
1193  1  1  J  124  LEU  J  1602  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
   1     1  m-20          ?       ?  ?           5  167.020   8  0.20  11  0.25  molprobity  1.000  
   2     2  t         -83.6   124.8  Favored     5  162.970   6  0.20   8  0.37  molprobity  1.000  
   3     3  m-85     -122.7    42.1  Favored     9  158.640  12  0.35  16  0.28  molprobity  1.000  
   4     4  t        -114.5   127.0  Favored     9  139.110   7  0.23  10  0.41  molprobity  1.000  
   5     5  ?          84.4     4.9  Favored     3  114.300   4  0.40   5  0.56  molprobity  1.000  
   6     6  mp        -92.9   127.6  Favored    11  121.670   8  0.22  11  0.33  molprobity  1.000  
   7     7  mtt-85    -67.0   136.8  Favored    13  126.870  11  0.19  14  0.98  molprobity  1.000  
   8     8  m        -144.6   155.1  Favored     9  105.980   7  0.22  10  0.56  molprobity  1.000  
   9     9  t        -109.1   106.8  Favored     9  109.100   7  0.28  10  0.52  molprobity  1.000  
  10    10  ?        -133.2   150.7  Favored     5  111.550   5  0.37   7  0.58  molprobity  1.000  
  11    11  pttp      -97.6   136.2  Favored    13  121.130   9  0.24  11  0.36  molprobity  1.000  
  12    12  p-90     -107.3     9.7  Favored    10  118.140  16  0.15  23  0.23  molprobity  1.000  
  13    13  m        -124.4   146.4  Favored     5  134.680   6  0.33   8  0.46  molprobity  1.000  
  14    14  t         -56.3   -44.3  Favored     5  138.890   6  0.20   8  0.31  molprobity  1.000  
  15    15  t30      -126.8    87.2  Favored     6  162.350   8  0.23  11  0.59  molprobity  1.000  
  16    16  ?        -157.4   176.8  Favored     3  123.590   4  0.29   5  0.74  molprobity  1.000  
  17    17  m-85      -74.7   162.8  Favored     9  124.350  13  0.27  18  0.35  molprobity  1.000  
  18    18  m-85      -92.4   103.6  Favored     9  113.530  12  0.34  16  0.40  molprobity  1.000  
  19    19  m-85      -90.8   152.4  Favored     9  114.000  13  0.27  18  0.29  molprobity  1.000  
  20    20  p         -80.4   154.9  Favored     5  113.350   6  0.18   8  0.38  molprobity  1.000  
  21    21  ?        -178.2  -168.7  Favored     3  103.180   4  0.24   5  0.65  molprobity  1.000  
  22    22  ttpp     -136.7   141.4  Favored    13  109.890   9  0.26  11  0.31  molprobity  1.000  
  23    23  mt        -71.0   122.6  Favored    11  114.690   8  0.23  11  0.40  molprobity  1.000  
  24    24  t         -95.8   -20.7  Favored     7  125.860   7  0.24  10  0.59  molprobity  1.000  
  25    25  ttp180   -166.5   147.6  Favored    13  138.420  11  0.19  14  1.03  molprobity  1.000  
  26    26  t0       -108.9   106.6  Favored     4  133.760   8  0.23  11  0.36  molprobity  1.000  
  27    27  t         -98.5   166.3  Favored     9  131.450   7  0.25  10  0.46  molprobity  1.000  
  28    28  ?         -68.7   171.7  Favored     3  137.790   4  0.33   5  0.75  molprobity  1.000  
  29    29  ?          63.3    25.4  Favored     5  141.320   5  0.31   7  0.51  molprobity  1.000  
  30    30  ?          65.7    15.3  Favored     3  150.180   4  0.32   5  0.48  molprobity  1.000  
  31    31  tttt      -97.0   113.0  Favored    13  131.230   9  0.27  11  0.44  molprobity  1.000  
  32    32  m-85     -105.0   137.1  Favored     9  128.100  13  0.24  18  0.30  molprobity  1.000  
  33    33  tttt      -80.9   125.2  Favored    13  116.720   9  0.25  11  0.34  molprobity  1.000  
  34    34  mt       -117.2   131.7  Favored    11  111.490   8  0.22  11  0.51  molprobity  1.000  
  35    35  tp        -97.4   112.5  Favored    11  110.060   8  0.26  11  0.57  molprobity  1.000  
  36    36  m-85      -83.4   156.3  Favored     9  105.600  12  0.31  16  0.37  molprobity  1.000  
  37    37  m-20      -59.5   -20.9  Favored     4  114.350   8  0.20  11  0.31  molprobity  1.000  
  38    38  p-10      -86.3     5.0  Favored     4  105.680   8  0.21  11  0.41  molprobity  1.000  
  39    39  ?          93.7     1.2  Favored     3  102.500   4  0.38   5  0.67  molprobity  1.000  
  40    40  t80       -92.8   119.3  Favored     9  110.210  13  0.26  18  0.29  molprobity  1.000  
  41    41  tt0      -107.4   124.9  Favored     6  124.170   9  0.23  12  0.37  molprobity  1.000  
  42    42  p        -159.4   164.3  Favored     5  124.400   6  0.20   8  0.43  molprobity  1.000  
  43    43  m-20      -87.7   137.2  Favored     4  119.420   8  0.17  11  0.31  molprobity  1.000  
  44    44  t        -135.2   142.2  Favored     9  117.770   7  0.20  10  0.38  molprobity  1.000  
  45    45  mt        -77.0   149.3  Favored    11  125.860   8  0.26  11  0.38  molprobity  1.000  
  46    46  ?         -56.2   -35.5  Favored     3  127.860   4  0.13   5  0.33  molprobity  1.000  
  47    47  pttt      -60.5   -41.3  Favored    13  143.240   9  0.23  11  0.23  molprobity  1.000  
  48    48  m-20      -73.8   -10.1  Favored     4  124.210   8  0.18  11  0.45  molprobity  1.000  
  49    49  mt       -100.3   133.3  Favored    11  114.460   8  0.22  11  0.43  molprobity  1.000  
  50    50  mt       -112.4   125.0  Favored    11  111.570   8  0.21  11  0.31  molprobity  1.000  
  51    51  tp        -89.1    83.3  Favored    11  120.790   8  0.22  11  0.62  molprobity  1.000  
  52    52  m        -138.8    90.7  Favored     5  121.160   6  0.28   8  0.55  molprobity  1.000  
  53    53  t0        -66.5   -56.6  Favored     4  159.430   8  0.32  12  0.68  molprobity  1.000  
  54    54  Cg_endo   -86.1   121.5  Favored     7  143.370   8  0.28  11  0.44  molprobity  1.000  
  55    55  mm        -57.4   128.3  Favored    11  138.520   8  0.38  12  0.42  molprobity  1.000  
  56    56  Cg_endo   -57.6   138.4  Favored     7  137.830   8  0.19  11  0.37  molprobity  1.000  
  57    57  tp        -72.5   145.2  Favored    11  127.150   8  0.18  11  0.63  molprobity  1.000  
  58    58  m-20       60.9    46.9  Favored     4  134.030   8  0.16  11  0.39  molprobity  1.000  
  59    59  m        -123.4   129.8  Favored     7  131.980   7  0.21  10  0.56  molprobity  1.000  
  60    60  tt0       -67.1   129.5  Favored     6  132.990   9  0.24  12  0.33  molprobity  1.000  
  61    61  m        -137.1   168.8  Favored     9  125.530   7  0.19  10  0.59  molprobity  1.000  
  62    62  m        -106.8   114.9  Favored     7  123.230   7  0.23  10  0.62  molprobity  1.000  
  63    63  ?         -92.8   127.5  Favored     5  128.770   5  0.32   7  0.43  molprobity  1.000  
  64    64  mp       -101.6   122.7  Favored    11  140.520   8  0.23  11  0.33  molprobity  1.000  
  65    65  p        -149.0   155.8  Favored     5  154.740   6  0.30   8  0.62  molprobity  1.000  
  66    66  p         -59.5   -44.0  Favored     4  184.140   6  0.28   8  0.34  molprobity  1.000  
  67    67  t70       -90.3   133.3  Favored     4  199.720   8  0.19  11  0.64  molprobity  1.000  
  68    68  mm-40      78.6    -3.0  Favored     6  207.410   9  0.22  12  0.62  molprobity  1.000  
  69    69  m-85       49.8  -122.5  Allowed     9  177.030  13  0.22  18  0.22  molprobity  1.000  
  70    70  m-85      -93.5    87.4  Favored     9  141.760  12  0.35  16  0.36  molprobity  1.000  
  71    71  p         -89.3   163.3  Favored     5  151.040   6  0.19   8  0.40  molprobity  1.000  
  72    72  ?        -116.5   129.6  Favored     5  141.950   5  0.34   7  0.53  molprobity  1.000  
  73    73  ?        -146.7  -171.6  Favored     3  132.140   4  0.25   5  0.22  molprobity  1.000  
  74    74  t        -131.2   135.6  Favored     9  135.870   7  0.18  10  0.41  molprobity  1.000  
  75    75  t         -65.4   132.2  Favored     9  128.510   7  0.24  10  0.35  molprobity  1.000  
  76    76  mmmt     -132.2    23.7  Favored    13  138.210   9  0.27  11  0.37  molprobity  1.000  
  77    77  ?         157.1   157.3  Favored     3  126.700   4  0.38   5  0.75  molprobity  1.000  
  78    78  m80      -126.9   156.5  Favored     7  119.480  11  0.15  15  0.40  molprobity  1.000  
  79    79  ttt180   -155.2   106.0  Favored    13  143.860  11  0.22  14  0.97  molprobity  1.000  
  80    80  ttmt      -99.0   115.1  Favored    13  124.310   9  0.28  11  0.55  molprobity  1.000  
  81    81  tt0      -126.4   115.7  Favored     6  128.270   9  0.21  12  0.45  molprobity  1.000  
  82    82  m          54.6    40.3  Favored     5  141.590   6  0.23   8  0.37  molprobity  1.000  
  83    83  ?          86.3   -29.8  Favored     3  129.310   4  0.40   5  0.13  molprobity  1.000  
  84    84  m         -69.7   122.5  Favored     4  140.290   6  0.48   8  0.21  molprobity  1.000  
  85    85  tp       -100.7   130.7  Favored    11  117.480   8  0.22  11  0.37  molprobity  1.000  
  86    86  m-85     -123.3   141.4  Favored     9  133.650  13  0.28  18  0.38  molprobity  1.000  
  87    87  m-85     -110.0   136.7  Favored     9  129.000  13  0.26  18  0.28  molprobity  1.000  
  88    88  t         -91.9    90.9  Favored     5  135.810   6  0.18   8  0.62  molprobity  1.000  
  89    89  mm        -85.7   130.5  Favored    11  137.850   8  0.22  11  0.37  molprobity  1.000  
  90    90  tt0       -98.4   106.7  Favored     6  151.150   9  0.29  12  0.42  molprobity  1.000  
  91    91  tttm     -110.9   129.1  Favored    13  159.350   9  0.25  11  0.36  molprobity  1.000  
  92    92  tt0        51.5    43.1  Favored     6  170.680   9  0.18  12  0.39  molprobity  1.000  
  93    93  ?          63.4    39.2  Favored     3  156.820   4  0.21   5  0.18  molprobity  1.000  
  94    94  tp-100   -148.4   125.2  Favored     8  172.020   9  0.22  12  0.41  molprobity  1.000  
  95    95  mtt180    -89.6   130.3  Favored    13  150.070  11  0.18  14  1.04  molprobity  1.000  
  96    96  tttt     -136.9   143.7  Favored    13  162.070   9  0.24  11  0.37  molprobity  1.000  
  97    97  m95       -85.7   133.0  Favored    10  141.050  16  0.14  23  0.19  molprobity  1.000  
  98    98  m-85     -130.7   139.7  Favored     9  131.570  13  0.24  18  0.33  molprobity  1.000  
  99    99  mttp      -62.7   169.2  Favored    13  127.670   9  0.27  11  0.43  molprobity  1.000  
 100   100  ttm-85    -60.9   -45.2  Favored    13  130.660  11  0.21  14  1.05  molprobity  1.000  
 101   101  ptp       -72.6   -22.6  Favored     9  151.550   8  0.23  10  0.36  molprobity  1.000  
 102   102  ?         -75.0   -10.7  Favored     5  120.780   5  0.32   7  0.51  molprobity  1.000  
 103   103  t        -114.7   122.2  Favored     9  110.980   7  0.23  10  0.44  molprobity  1.000  
 104   104  pt       -135.5   157.2  Favored    11  118.870   8  0.18  11  0.55  molprobity  1.000  
 105   105  mt        -97.0   144.6  Favored    11  118.930   8  0.21  11  0.41  molprobity  1.000  
 106   106  p         -76.6   174.8  Favored     5  137.040   6  0.21   8  0.48  molprobity  1.000  
 107   107  tp        -62.1   -44.3  Favored    11  132.240   8  0.23  11  0.30  molprobity  1.000  
 108   108  tt0       -64.8   -45.5  Favored     6  146.610   9  0.21  12  0.35  molprobity  1.000  
 109   109  mt-30     -65.1   -41.1  Favored     8  131.200   9  0.34  12  0.46  molprobity  1.000  
 110   110  ?         -61.5   -42.6  Favored     3  148.750   4  0.12   5  0.36  molprobity  1.000  
 111   111  t30       -64.6   -37.9  Favored     6  151.000   8  0.22  11  0.29  molprobity  1.000  
 112   112  mtt85     -60.8   -42.5  Favored    13  156.150  11  0.22  14  0.97  molprobity  1.000  
 113   113  mt        -80.3   -14.5  Favored    11  121.190   8  0.19  11  0.51  molprobity  1.000  
 114   114  ttp180    -64.7   -38.4  Favored    13  139.630  11  0.20  14  1.07  molprobity  1.000  
 115   115  tt0       -55.2   -42.2  Favored     6  150.110   9  0.23  12  0.29  molprobity  1.000  
 116   116  tt0       -89.2   -56.3  Favored     8  136.620   9  0.21  12  0.31  molprobity  1.000  
 117   117  m-85     -108.7    89.0  Favored     9  136.040  13  0.26  18  0.38  molprobity  1.000  
 118   118  ?        -143.7   125.0  Favored     3  127.990   4  0.29   5  0.11  molprobity  1.000  
 119   119  mt            ?       ?  ?          11  128.010   7  0.19   8  0.40  molprobity  1.000  
 120   120  ?             ?       ?  ?           ?  152.140   4  0.12   5  0.31  molprobity  1.000  
 121   121  t         -85.0   144.5  Favored     5  171.760   6  0.23   8  0.38  molprobity  1.000  
 122   122  m-85      -96.2     2.5  Favored     9  145.940  12  0.33  16  0.32  molprobity  1.000  
 123   123  t         -75.0   137.4  Favored     9  140.420   7  0.23  10  0.34  molprobity  1.000  
 124   124  ?          85.7     9.1  Favored     3  114.450   4  0.42   5  0.60  molprobity  1.000  
 125   125  mp       -107.4   124.2  Favored    11  118.290   8  0.23  11  0.44  molprobity  1.000  
 126   126  mtt-85    -67.2   137.7  Favored    13  133.690  11  0.19  14  0.95  molprobity  1.000  
 127   127  m        -145.7   152.5  Favored     9  117.040   7  0.20  10  0.46  molprobity  1.000  
 128   128  t        -107.5   105.3  Favored     9  113.850   7  0.25  10  0.51  molprobity  1.000  
 129   129  ?        -133.7   152.7  Favored     5  120.630   5  0.34   7  0.54  molprobity  1.000  
 130   130  pttp     -100.3   137.3  Favored    13  123.280   9  0.23  11  0.38  molprobity  1.000  
 131   131  p-90     -108.2    11.7  Favored    10  129.690  16  0.16  23  0.24  molprobity  1.000  
 132   132  m        -125.4   149.6  Favored     5  130.880   6  0.35   8  0.51  molprobity  1.000  
 133   133  t         -58.6   -41.5  Favored     5  147.830   6  0.20   8  0.31  molprobity  1.000  
 134   134  t30      -128.8    87.6  Favored     6  156.590   8  0.24  11  0.62  molprobity  1.000  
 135   135  ?        -155.8   178.9  Favored     3  125.100   4  0.28   5  0.71  molprobity  1.000  
 136   136  m-85      -79.0   164.6  Favored     9  119.560  13  0.26  18  0.36  molprobity  1.000  
 137   137  m-85      -94.3    98.8  Favored     9  114.380  12  0.37  16  0.38  molprobity  1.000  
 138   138  m-85      -85.1   150.8  Favored     9  110.970  13  0.29  18  0.29  molprobity  1.000  
 139   139  p         -78.6   154.3  Favored     5  108.460   6  0.20   8  0.36  molprobity  1.000  
 140   140  ?        -178.3  -167.1  Favored     3  112.090   4  0.24   5  0.66  molprobity  1.000  
 141   141  ttpp     -138.9   141.6  Favored    13  125.580   9  0.26  11  0.30  molprobity  1.000  
 142   142  mt        -71.0   115.5  Favored    11  115.010   8  0.23  11  0.44  molprobity  1.000  
 143   143  t         -88.4   -14.3  Favored     7  131.910   7  0.26  10  0.57  molprobity  1.000  
 144   144  ttp180   -173.5   147.7  Allowed    13  133.340  11  0.21  14  1.00  molprobity  1.000  
 145   145  t0       -109.9   110.5  Favored     4  144.270   8  0.22  11  0.41  molprobity  1.000  
 146   146  t        -101.6   166.9  Favored     9  138.610   7  0.24  10  0.46  molprobity  1.000  
 147   147  ?         -68.8   171.6  Favored     3  145.860   4  0.29   5  0.78  molprobity  1.000  
 148   148  ?          64.2    27.2  Favored     5  153.180   5  0.31   7  0.52  molprobity  1.000  
 149   149  ?          63.2    16.5  Favored     3  149.350   4  0.26   5  0.40  molprobity  1.000  
 150   150  tttt      -97.9   110.9  Favored    13  144.620   9  0.28  11  0.50  molprobity  1.000  
 151   151  m-85     -102.2   135.5  Favored     9  139.590  13  0.25  18  0.31  molprobity  1.000  
 152   152  tttt      -80.8   123.3  Favored    13  126.380   9  0.27  11  0.38  molprobity  1.000  
 153   153  mt       -114.4   133.0  Favored    11  124.380   8  0.23  11  0.53  molprobity  1.000  
 154   154  tp        -97.5   113.0  Favored    11  122.720   8  0.25  11  0.56  molprobity  1.000  
 155   155  m-85      -84.7   157.1  Favored     9  117.450  12  0.34  16  0.38  molprobity  1.000  
 156   156  m-20      -60.9   -18.9  Favored     4  120.490   8  0.20  11  0.30  molprobity  1.000  
 157   157  p-10      -86.6     2.6  Favored     4  119.100   8  0.18  11  0.45  molprobity  1.000  
 158   158  ?          91.3     6.1  Favored     3  114.940   4  0.35   5  0.71  molprobity  1.000  
 159   159  t80       -95.4   114.9  Favored     9  116.570  13  0.30  18  0.34  molprobity  1.000  
 160   160  tt0      -105.4   125.6  Favored     6  131.990   9  0.21  12  0.35  molprobity  1.000  
 161   161  p        -160.5   166.4  Favored     5  121.970   6  0.19   8  0.47  molprobity  1.000  
 162   162  m-20      -88.2   135.8  Favored     4  131.640   8  0.17  11  0.34  molprobity  1.000  
 163   163  t        -131.1   140.5  Favored     9  128.830   7  0.20  10  0.39  molprobity  1.000  
 164   164  mt        -76.0   151.2  Favored    11  131.400   8  0.27  11  0.38  molprobity  1.000  
 165   165  ?         -57.8   -33.3  Favored     3  138.590   4  0.12   5  0.31  molprobity  1.000  
 166   166  pttt      -61.4   -40.7  Favored    13  142.550   9  0.23  11  0.21  molprobity  1.000  
 167   167  m-20      -78.5    -7.2  Favored     4  132.040   8  0.18  11  0.46  molprobity  1.000  
 168   168  mt       -100.2   130.1  Favored    11  115.750   8  0.23  11  0.43  molprobity  1.000  
 169   169  mt       -111.0   124.7  Favored    11  117.130   8  0.22  11  0.41  molprobity  1.000  
 170   170  tp        -87.8    84.2  Favored    11  128.820   8  0.19  11  0.55  molprobity  1.000  
 171   171  m        -138.7    88.6  Favored     5  134.910   6  0.24   8  0.57  molprobity  1.000  
 172   172  t0        -65.1   -53.8  Favored     4  168.380   8  0.31  12  0.65  molprobity  1.000  
 173   173  Cg_endo   -87.1   123.5  Allowed     7  135.460   8  0.23  11  0.42  molprobity  1.000  
 174   174  mt        -57.8   130.5  Favored    11  117.460   8  0.41  12  0.46  molprobity  1.000  
 175   175  Cg_endo   -58.4   140.9  Favored     7  122.990   8  0.18  11  0.36  molprobity  1.000  
 176   176  tp        -79.7   139.5  Favored    11  117.210   8  0.18  11  0.70  molprobity  1.000  
 177   177  m-20       65.6    45.1  Favored     4  141.470   8  0.18  11  0.41  molprobity  1.000  
 178   178  m        -122.6   129.7  Favored     7  120.070   7  0.22  10  0.56  molprobity  1.000  
 179   179  tt0       -66.2   127.7  Favored     6  136.350   9  0.21  12  0.34  molprobity  1.000  
 180   180  m        -133.9   168.6  Favored     9  121.960   7  0.19  10  0.58  molprobity  1.000  
 181   181  m        -107.0   112.7  Favored     7  117.960   7  0.22  10  0.64  molprobity  1.000  
 182   182  ?         -88.9   124.3  Favored     5  129.690   5  0.33   7  0.52  molprobity  1.000  
 183   183  mp        -98.7   120.7  Favored    11  152.340   8  0.24  11  0.42  molprobity  1.000  
 184   184  p        -144.0   146.8  Favored     5  156.400   6  0.35   8  0.56  molprobity  1.000  
 185   185  p         -51.5   -46.6  Favored     4  200.070   6  0.22   8  0.52  molprobity  1.000  
 186   186  t70       -88.7   132.5  Favored     4  177.170   8  0.20  11  0.67  molprobity  1.000  
 187   187  tp10       78.4    -5.0  Favored     6  175.540   9  0.18  12  0.66  molprobity  1.000  
 188   188  m-85       59.4  -126.5  Allowed     9  189.660  13  0.37  18  0.79  molprobity  1.000  
 189   189  m-85      -94.1    81.3  Favored     9  144.650  12  0.35  16  0.46  molprobity  1.000  
 190   190  p         -86.8   165.7  Favored     5  156.140   6  0.20   8  0.42  molprobity  1.000  
 191   191  ?        -119.2   138.8  Favored     5  142.970   5  0.33   7  0.45  molprobity  1.000  
 192   192  ?        -154.0  -169.3  Favored     3  132.970   4  0.25   5  0.24  molprobity  1.000  
 193   193  t        -132.2   135.2  Favored     9  132.370   7  0.18  10  0.42  molprobity  1.000  
 194   194  t         -65.0   133.2  Favored     9  125.450   7  0.24  10  0.37  molprobity  1.000  
 195   195  mmmt     -130.3    19.1  Favored    13  141.040   9  0.29  11  0.36  molprobity  1.000  
 196   196  ?         158.9   165.2  Favored     3  119.920   4  0.34   5  0.78  molprobity  1.000  
 197   197  m80      -132.9   156.0  Favored     7  114.720  11  0.15  15  0.38  molprobity  1.000  
 198   198  ttt180   -154.4   107.5  Favored    13  146.130  11  0.19  14  0.98  molprobity  1.000  
 199   199  ttmt     -104.8   112.4  Favored    13  132.010   9  0.27  11  0.49  molprobity  1.000  
 200   200  tt0      -121.1   123.0  Favored     6  158.540   9  0.25  12  0.38  molprobity  1.000  
 201   201  m          52.6    40.6  Favored     5  148.570   6  0.23   8  0.34  molprobity  1.000  
 202   202  ?          85.3   -31.8  Favored     3  145.480   4  0.45   5  0.41  molprobity  1.000  
 203   203  m         -70.7   122.6  Favored     4  149.830   6  0.38   8  0.23  molprobity  1.000  
 204   204  tp       -103.0   131.8  Favored    11  114.010   8  0.21  11  0.39  molprobity  1.000  
 205   205  m-85     -122.5   139.2  Favored     9  134.060  13  0.27  18  0.39  molprobity  1.000  
 206   206  m-85     -107.7   136.5  Favored     9  127.400  13  0.27  18  0.29  molprobity  1.000  
 207   207  t         -91.0    91.1  Favored     5  141.100   6  0.17   8  0.59  molprobity  1.000  
 208   208  mm        -84.7   129.5  Favored    11  137.150   8  0.21  11  0.35  molprobity  1.000  
 209   209  tt0       -96.8   105.5  Favored     6  150.820   9  0.28  12  0.45  molprobity  1.000  
 210   210  ttpp     -111.7   124.4  Favored    13  173.820   9  0.24  11  0.35  molprobity  1.000  
 211   211  tt0        54.2    43.0  Favored     6  183.000   9  0.20  12  0.40  molprobity  1.000  
 212   212  ?          64.9    40.8  Favored     3  157.470   4  0.21   5  0.18  molprobity  1.000  
 213   213  tp-100   -151.5   123.3  Favored     8  182.200   9  0.23  12  0.42  molprobity  1.000  
 214   214  mtt180    -87.7   127.5  Favored    13  147.210  11  0.19  14  1.10  molprobity  1.000  
 215   215  tttt     -134.2   143.0  Favored    13  158.940   9  0.23  11  0.35  molprobity  1.000  
 216   216  m95       -85.2   132.9  Favored    10  141.480  16  0.16  23  0.20  molprobity  1.000  
 217   217  m-85     -130.1   139.0  Favored     9  143.500  13  0.23  18  0.35  molprobity  1.000  
 218   218  mttp      -64.0   169.0  Favored    13  139.310   9  0.26  11  0.44  molprobity  1.000  
 219   219  ttm-85    -60.4   -44.6  Favored    13  133.070  11  0.20  14  1.03  molprobity  1.000  
 220   220  ptp       -70.2   -22.6  Favored     9  148.770   8  0.25  10  0.33  molprobity  1.000  
 221   221  ?         -76.5   -10.3  Favored     5  132.130   5  0.32   7  0.49  molprobity  1.000  
 222   222  t        -114.6   120.5  Favored     9  117.620   7  0.22  10  0.46  molprobity  1.000  
 223   223  pt       -133.2   153.7  Favored    11  118.810   8  0.21  11  0.49  molprobity  1.000  
 224   224  mt        -95.7   142.6  Favored    11  114.520   8  0.21  11  0.41  molprobity  1.000  
 225   225  p         -76.8   175.6  Favored     5  135.960   6  0.18   8  0.48  molprobity  1.000  
 226   226  tt        -61.1   -52.1  Favored    11  133.790   8  0.22  11  0.33  molprobity  1.000  
 227   227  tt0       -65.1   -43.2  Favored     6  140.550   9  0.24  12  0.31  molprobity  1.000  
 228   228  mt-30     -62.5   -44.0  Favored     8  135.130   9  0.28  12  0.46  molprobity  1.000  
 229   229  ?         -64.5   -40.5  Favored     3  134.470   4  0.13   5  0.30  molprobity  1.000  
 230   230  t30       -63.0   -38.6  Favored     6  159.260   8  0.23  11  0.31  molprobity  1.000  
 231   231  mtp85     -58.1   -29.2  Favored    13  153.090  11  0.23  14  0.92  molprobity  1.000  
 232   232  mt        -91.4    -7.3  Favored    11  126.570   8  0.20  11  0.44  molprobity  1.000  
 233   233  ttp180    -63.8   -40.4  Favored    13  138.220  11  0.19  14  1.05  molprobity  1.000  
 234   234  pt-20     -57.3   -39.2  Favored     6  162.990   9  0.21  12  0.24  molprobity  1.000  
 235   235  mt-30     -87.3   -58.2  Favored     8  161.880   9  0.22  12  0.32  molprobity  1.000  
 236   236  m-85     -114.6    88.4  Favored     9  146.770  13  0.24  18  0.36  molprobity  1.000  
 237   237  ?        -145.7   125.2  Favored     3  131.320   4  0.32   5  0.14  molprobity  1.000  
 238   238  mt            ?       ?  ?          11  141.480   7  0.20   8  0.38  molprobity  1.000  
 239   239  ?             ?       ?  ?           ?  160.900   4  0.14   5  0.31  molprobity  1.000  
 240   240  t         -65.1   135.6  Favored     5  161.800   6  0.18   8  0.32  molprobity  1.000  
 241   241  m-85      -85.6    -4.9  Favored     9  171.980  12  0.31  16  0.30  molprobity  1.000  
 242   242  t         -75.1   135.5  Favored     9  168.880   7  0.22  10  0.35  molprobity  1.000  
 243   243  ?          91.2     6.9  Favored     3  148.760   4  0.39   5  0.62  molprobity  1.000  
 244   244  mp       -108.0   118.2  Favored    11  147.010   8  0.21  11  0.42  molprobity  1.000  
 245   245  mtt-85    -67.7   137.4  Favored    13  146.590  11  0.19  14  0.94  molprobity  1.000  
 246   246  m        -145.5   156.6  Favored     9  121.080   7  0.19  10  0.51  molprobity  1.000  
 247   247  t        -109.1   107.2  Favored     9  121.670   7  0.25  10  0.52  molprobity  1.000  
 248   248  ?        -133.9   151.2  Favored     5  136.090   5  0.37   7  0.54  molprobity  1.000  
 249   249  pttp      -98.6   136.6  Favored    13  129.950   9  0.23  11  0.37  molprobity  1.000  
 250   250  p-90     -107.6    12.3  Favored    10  138.020  16  0.15  23  0.24  molprobity  1.000  
 251   251  m        -125.5   148.8  Favored     5  139.590   6  0.30   8  0.51  molprobity  1.000  
 252   252  t         -59.1   -44.1  Favored     5  148.870   6  0.20   8  0.33  molprobity  1.000  
 253   253  t30      -127.3    87.3  Favored     6  155.160   8  0.23  11  0.61  molprobity  1.000  
 254   254  ?        -159.7   177.9  Favored     3  136.570   4  0.30   5  0.71  molprobity  1.000  
 255   255  m-85      -76.3   164.1  Favored     9  126.670  13  0.26  18  0.35  molprobity  1.000  
 256   256  m-85      -93.1   106.3  Favored     9  120.290  12  0.33  16  0.34  molprobity  1.000  
 257   257  m-85      -91.5   152.7  Favored     9  126.250  13  0.29  18  0.27  molprobity  1.000  
 258   258  p         -80.3   153.2  Favored     5  121.540   6  0.19   8  0.38  molprobity  1.000  
 259   259  ?        -176.4  -169.6  Favored     3  133.890   4  0.22   5  0.66  molprobity  1.000  
 260   260  ttpp     -136.3   141.6  Favored    13  128.300   9  0.25  11  0.33  molprobity  1.000  
 261   261  mt        -72.5   120.1  Favored    11  132.230   8  0.23  11  0.41  molprobity  1.000  
 262   262  t         -95.3   -20.8  Favored     7  147.010   7  0.23  10  0.56  molprobity  1.000  
 263   263  ttp180   -166.3   149.0  Favored    13  148.620  11  0.19  14  1.01  molprobity  1.000  
 264   264  t0       -104.7   113.5  Favored     4  170.820   8  0.20  11  0.39  molprobity  1.000  
 265   265  t        -103.0   162.7  Favored     9  147.980   7  0.28  10  0.50  molprobity  1.000  
 266   266  ?         -68.3   175.2  Favored     3  167.760   4  0.34   5  0.80  molprobity  1.000  
 267   267  ?          63.0    30.9  Favored     5  158.820   5  0.30   7  0.56  molprobity  1.000  
 268   268  ?          61.6    16.9  Favored     3  158.730   4  0.33   5  0.35  molprobity  1.000  
 269   269  tttt      -99.1   117.3  Favored    13  151.810   9  0.31  11  0.55  molprobity  1.000  
 270   270  m-85     -109.0   136.8  Favored     9  140.730  13  0.23  18  0.34  molprobity  1.000  
 271   271  tttt      -80.6   122.3  Favored    13  141.700   9  0.28  11  0.40  molprobity  1.000  
 272   272  mt       -115.6   131.5  Favored    11  133.060   8  0.23  11  0.48  molprobity  1.000  
 273   273  tp        -96.9   112.5  Favored    11  122.770   8  0.26  11  0.60  molprobity  1.000  
 274   274  m-85      -82.5   158.0  Favored     9  116.700  12  0.32  16  0.37  molprobity  1.000  
 275   275  m-20      -61.0   -18.5  Favored     4  130.530   8  0.20  11  0.29  molprobity  1.000  
 276   276  p-10      -87.1     0.8  Favored     4  118.290   8  0.20  11  0.48  molprobity  1.000  
 277   277  ?          92.0     2.6  Favored     3  121.220   4  0.36   5  0.65  molprobity  1.000  
 278   278  t80       -90.8   113.1  Favored     9  118.320  13  0.28  18  0.34  molprobity  1.000  
 279   279  tt0      -103.0   123.7  Favored     6  136.020   9  0.24  12  0.34  molprobity  1.000  
 280   280  p        -159.5   166.8  Favored     5  138.520   6  0.23   8  0.49  molprobity  1.000  
 281   281  m-20      -89.8   136.9  Favored     4  138.970   8  0.18  11  0.35  molprobity  1.000  
 282   282  t        -131.8   140.2  Favored     9  144.790   7  0.18  10  0.38  molprobity  1.000  
 283   283  mt        -74.8   152.6  Favored    11  145.250   8  0.25  11  0.39  molprobity  1.000  
 284   284  ?         -57.5   -38.9  Favored     3  142.960   4  0.11   5  0.32  molprobity  1.000  
 285   285  pttt      -60.4   -40.7  Favored    13  140.430   9  0.21  11  0.24  molprobity  1.000  
 286   286  m-20      -73.0   -14.7  Favored     4  147.380   8  0.19  11  0.43  molprobity  1.000  
 287   287  mt        -91.9   137.8  Favored    11  139.320   8  0.21  11  0.42  molprobity  1.000  
 288   288  mt       -116.9   124.8  Favored    11  126.700   8  0.20  11  0.41  molprobity  1.000  
 289   289  tp        -86.8    83.5  Favored    11  140.670   8  0.24  11  0.58  molprobity  1.000  
 290   290  m        -138.7    90.1  Favored     5  125.960   6  0.29   8  0.58  molprobity  1.000  
 291   291  t0        -68.4   -55.1  Favored     4  157.400   8  0.30  12  0.64  molprobity  1.000  
 292   292  Cg_endo   -86.0   117.9  Allowed     7  125.100   8  0.27  11  0.45  molprobity  1.000  
 293   293  mt        -57.2   129.5  Favored    11  117.610   8  0.39  12  0.46  molprobity  1.000  
 294   294  Cg_endo   -57.7   139.7  Favored     7  132.980   8  0.19  11  0.37  molprobity  1.000  
 295   295  tp        -76.2   142.9  Favored    11  127.080   8  0.19  11  0.64  molprobity  1.000  
 296   296  m-20       65.3    42.2  Favored     4  146.610   8  0.15  11  0.34  molprobity  1.000  
 297   297  m        -121.2   134.6  Favored     7  127.900   7  0.22  10  0.54  molprobity  1.000  
 298   298  tt0       -69.2   128.7  Favored     6  137.650   9  0.23  12  0.34  molprobity  1.000  
 299   299  m        -136.3   168.6  Favored     9  124.680   7  0.16  10  0.59  molprobity  1.000  
 300   300  m        -104.8   111.2  Favored     7  120.600   7  0.21  10  0.59  molprobity  1.000  
 301   301  ?         -88.9   128.2  Favored     5  130.720   5  0.35   7  0.40  molprobity  1.000  
 302   302  mp       -100.9   125.3  Favored    11  124.000   8  0.21  11  0.29  molprobity  1.000  
 303   303  t        -152.6   149.1  Favored     5  157.370   6  0.27   8  0.53  molprobity  1.000  
 304   304  p         -54.3   -49.2  Favored     4  166.680   6  0.26   8  0.31  molprobity  1.000  
 305   305  t70       -85.3   133.1  Favored     4  167.330   8  0.21  11  0.67  molprobity  1.000  
 306   306  tp10       77.0    -6.4  Favored     6  169.090   9  0.18  12  0.65  molprobity  1.000  
 307   307  m-85       58.1  -111.5  Allowed     9  165.980  13  0.23  18  0.34  molprobity  1.000  
 308   308  m-85     -105.2    85.4  Favored     9  140.380  12  0.33  16  0.39  molprobity  1.000  
 309   309  p         -87.6   162.7  Favored     5  158.930   6  0.21   8  0.40  molprobity  1.000  
 310   310  ?        -114.8   128.3  Favored     5  137.820   5  0.31   7  0.49  molprobity  1.000  
 311   311  ?        -144.8  -171.4  Favored     3  137.280   4  0.24   5  0.25  molprobity  1.000  
 312   312  t        -130.2   134.8  Favored     9  134.170   7  0.17  10  0.43  molprobity  1.000  
 313   313  t         -64.4   136.5  Favored     9  127.290   7  0.26  10  0.38  molprobity  1.000  
 314   314  mmmt     -135.4    21.4  Favored    13  139.870   9  0.29  11  0.47  molprobity  1.000  
 315   315  ?         156.5   158.8  Favored     3  125.920   4  0.39   5  0.72  molprobity  1.000  
 316   316  m-70     -127.5   152.8  Favored     7  122.120  11  0.15  15  0.36  molprobity  1.000  
 317   317  ttt180   -156.0   100.5  Favored    13  146.260  11  0.29  14  1.11  molprobity  1.000  
 318   318  ttmt     -103.9   113.5  Favored    13  135.830   9  0.27  11  0.46  molprobity  1.000  
 319   319  tt0      -123.8   125.7  Favored     6  131.670   9  0.22  12  0.42  molprobity  1.000  
 320   320  m          58.1    23.4  Favored     5  126.800   6  0.27   8  0.37  molprobity  1.000  
 321   321  ?          94.1   -18.9  Favored     3  134.060   4  0.49   5  0.47  molprobity  1.000  
 322   322  m         -79.2   115.8  Favored     4  162.820   6  0.19   8  0.37  molprobity  1.000  
 323   323  tp        -93.1   133.1  Favored    11  129.460   8  0.23  11  0.39  molprobity  1.000  
 324   324  m-85     -123.0   141.0  Favored     9  127.510  13  0.29  18  0.39  molprobity  1.000  
 325   325  m-85     -110.2   136.2  Favored     9  128.440  13  0.27  18  0.30  molprobity  1.000  
 326   326  t         -90.8    87.5  Favored     5  138.190   6  0.20   8  0.62  molprobity  1.000  
 327   327  mm        -83.0   129.2  Favored    11  130.910   8  0.24  11  0.34  molprobity  1.000  
 328   328  tt0       -97.0   106.9  Favored     6  149.690   9  0.27  12  0.42  molprobity  1.000  
 329   329  ttpp     -112.2   123.7  Favored    13  163.170   9  0.27  11  0.35  molprobity  1.000  
 330   330  tt0        54.0    42.7  Favored     6  177.490   9  0.18  12  0.40  molprobity  1.000  
 331   331  ?          64.7    41.3  Favored     3  143.200   4  0.21   5  0.17  molprobity  1.000  
 332   332  tp-100   -150.8   119.1  Favored     8  155.370   9  0.23  12  0.42  molprobity  1.000  
 333   333  mtt180    -84.0   131.7  Favored    13  138.780  11  0.21  14  1.06  molprobity  1.000  
 334   334  tttt     -138.4   140.6  Favored    13  158.590   9  0.24  11  0.36  molprobity  1.000  
 335   335  m95       -85.6   132.0  Favored    10  136.900  16  0.17  23  0.20  molprobity  1.000  
 336   336  m-85     -130.5   138.4  Favored     9  128.210  13  0.26  18  0.32  molprobity  1.000  
 337   337  mttp      -64.9   170.4  Favored    13  123.050   9  0.26  11  0.41  molprobity  1.000  
 338   338  ttm-85    -61.1   -45.6  Favored    13  134.260  11  0.20  14  1.03  molprobity  1.000  
 339   339  ptp       -72.9   -21.7  Favored     9  134.040   8  0.24  10  0.35  molprobity  1.000  
 340   340  ?         -75.0   -11.0  Favored     5  117.670   5  0.30   7  0.45  molprobity  1.000  
 341   341  t        -114.7   119.9  Favored     9  121.360   7  0.23  10  0.45  molprobity  1.000  
 342   342  pt       -132.7   157.7  Favored    11  115.860   8  0.20  11  0.56  molprobity  1.000  
 343   343  mt        -98.8   142.0  Favored    11  121.070   8  0.21  11  0.40  molprobity  1.000  
 344   344  p         -76.0   172.3  Favored     5  125.610   6  0.20   8  0.46  molprobity  1.000  
 345   345  tt        -60.4   -49.7  Favored    11  142.600   8  0.21  11  0.27  molprobity  1.000  
 346   346  tt0       -64.1   -45.6  Favored     6  146.260   9  0.22  12  0.37  molprobity  1.000  
 347   347  mt-30     -63.3   -43.0  Favored     8  132.120   9  0.29  12  0.46  molprobity  1.000  
 348   348  ?         -65.3   -39.7  Favored     3  141.240   4  0.15   5  0.29  molprobity  1.000  
 349   349  t30       -65.1   -33.7  Favored     6  176.470   8  0.23  11  0.34  molprobity  1.000  
 350   350  mtp85     -60.3   -33.4  Favored    13  156.420  11  0.22  14  0.92  molprobity  1.000  
 351   351  mt        -90.6    -6.7  Favored    11  137.300   8  0.18  11  0.49  molprobity  1.000  
 352   352  ttp180    -63.1   -40.7  Favored    13  140.460  11  0.21  14  1.05  molprobity  1.000  
 353   353  pt-20     -57.5   -36.4  Favored     6  168.440   9  0.23  12  0.26  molprobity  1.000  
 354   354  mt-30     -89.2   -58.2  Favored     8  154.310   9  0.21  12  0.30  molprobity  1.000  
 355   355  m-85     -113.3    87.7  Favored     9  145.690  13  0.25  18  0.35  molprobity  1.000  
 356   356  ?        -143.9   124.8  Favored     3  136.570   4  0.27   5  0.16  molprobity  1.000  
 357   357  mt            ?       ?  ?          11  144.960   7  0.19   8  0.36  molprobity  1.000  
 358   358  ?             ?       ?  ?           ?  157.930   4  0.11   5  0.32  molprobity  1.000  
 359   359  p         -63.6   141.6  Favored     5  158.730   6  0.18   8  0.35  molprobity  1.000  
 360   360  m-85     -105.9    17.5  Favored     9  145.510  12  0.34  16  0.22  molprobity  1.000  
 361   361  t         -91.3   129.1  Favored     9  138.380   7  0.23  10  0.33  molprobity  1.000  
 362   362  ?          98.9    -0.3  Favored     3  131.220   4  0.38   5  0.61  molprobity  1.000  
 363   363  mp        -95.6   128.9  Favored    11  133.990   8  0.22  11  0.34  molprobity  1.000  
 364   364  mtt-85    -67.5   138.6  Favored    13  131.960  11  0.19  14  0.96  molprobity  1.000  
 365   365  m        -145.7   154.3  Favored     9  123.100   7  0.19  10  0.47  molprobity  1.000  
 366   366  t        -108.3   107.0  Favored     9  112.290   7  0.25  10  0.52  molprobity  1.000  
 367   367  ?        -133.3   152.6  Favored     5  117.210   5  0.37   7  0.54  molprobity  1.000  
 368   368  pttp      -99.1   135.6  Favored    13  136.720   9  0.25  11  0.38  molprobity  1.000  
 369   369  p-90     -104.9    10.7  Favored    10  129.320  16  0.15  23  0.23  molprobity  1.000  
 370   370  m        -126.9   149.0  Favored     5  144.010   6  0.35   8  0.51  molprobity  1.000  
 371   371  t         -59.1   -44.0  Favored     5  166.280   6  0.21   8  0.31  molprobity  1.000  
 372   372  t30      -126.8    86.7  Favored     6  178.780   8  0.23  11  0.60  molprobity  1.000  
 373   373  ?        -158.6   173.4  Favored     3  141.240   4  0.24   5  0.75  molprobity  1.000  
 374   374  m-85      -71.5   162.1  Favored     9  126.360  13  0.25  18  0.36  molprobity  1.000  
 375   375  m-85      -93.6   103.2  Favored     9  134.470  12  0.35  16  0.39  molprobity  1.000  
 376   376  m-85      -91.0   150.7  Favored     9  116.660  13  0.31  18  0.29  molprobity  1.000  
 377   377  p         -77.2   156.2  Favored     5  112.100   6  0.21   8  0.41  molprobity  1.000  
 378   378  ?         179.5  -165.5  Favored     3  119.570   4  0.25   5  0.67  molprobity  1.000  
 379   379  ttpp     -141.9   142.7  Favored    13  134.000   9  0.26  11  0.31  molprobity  1.000  
 380   380  mt        -72.4   118.3  Favored    11  125.520   8  0.24  11  0.42  molprobity  1.000  
 381   381  t         -92.6   -16.8  Favored     7  151.380   7  0.26  10  0.53  molprobity  1.000  
 382   382  ttp180   -167.5   146.5  Favored    13  161.530  11  0.19  14  1.00  molprobity  1.000  
 383   383  t0       -107.2   110.6  Favored     4  166.300   8  0.23  11  0.42  molprobity  1.000  
 384   384  t        -100.9   167.1  Favored     9  185.430   7  0.23  10  0.46  molprobity  1.000  
 385   385  ?         -68.5   173.1  Favored     3  212.660   4  0.32   5  0.78  molprobity  1.000  
 386   386  ?          63.0    24.9  Favored     5  205.220   5  0.37   7  0.56  molprobity  1.000  
 387   387  ?          65.4    12.8  Favored     3  180.550   4  0.39   5  0.50  molprobity  1.000  
 388   388  tttt      -95.0   115.2  Favored    13  174.830   9  0.29  11  0.40  molprobity  1.000  
 389   389  m-85     -104.7   138.2  Favored     9  148.040  13  0.24  18  0.34  molprobity  1.000  
 390   390  tttt      -82.2   124.2  Favored    13  147.600   9  0.27  11  0.40  molprobity  1.000  
 391   391  mt       -117.0   132.7  Favored    11  131.020   8  0.25  11  0.49  molprobity  1.000  
 392   392  tp        -93.3   111.3  Favored    11  123.050   8  0.28  11  0.56  molprobity  1.000  
 393   393  m-85      -78.6   151.2  Favored     9  122.120  12  0.35  16  0.35  molprobity  1.000  
 394   394  m-20      -59.0   -20.8  Favored     4  111.880   8  0.19  11  0.29  molprobity  1.000  
 395   395  p-10      -82.5     7.2  Favored     4  114.290   8  0.19  11  0.47  molprobity  1.000  
 396   396  ?          88.1     2.5  Favored     3  127.040   4  0.38   5  0.67  molprobity  1.000  
 397   397  t80       -89.0   115.4  Favored     9  127.990  13  0.26  18  0.29  molprobity  1.000  
 398   398  tt0      -104.5   122.6  Favored     6  138.800   9  0.24  12  0.39  molprobity  1.000  
 399   399  p        -159.0   164.7  Favored     5  139.850   6  0.21   8  0.44  molprobity  1.000  
 400   400  m-20      -90.5   135.7  Favored     4  147.480   8  0.15  11  0.33  molprobity  1.000  
 401   401  t        -132.9   141.0  Favored     9  152.400   7  0.21  10  0.39  molprobity  1.000  
 402   402  mt        -75.0   151.4  Favored    11  139.440   8  0.25  11  0.38  molprobity  1.000  
 403   403  ?         -57.7   -36.9  Favored     3  152.350   4  0.12   5  0.33  molprobity  1.000  
 404   404  pttt      -60.5   -41.0  Favored    13  152.280   9  0.24  11  0.23  molprobity  1.000  
 405   405  m-20      -73.4   -13.5  Favored     4  136.120   8  0.19  11  0.44  molprobity  1.000  
 406   406  mt        -93.9   137.2  Favored    11  125.330   8  0.21  11  0.42  molprobity  1.000  
 407   407  mt       -118.2   124.9  Favored    11  119.690   8  0.21  11  0.41  molprobity  1.000  
 408   408  tp        -89.1    87.1  Favored    11  131.630   8  0.22  11  0.47  molprobity  1.000  
 409   409  m        -143.4    90.9  Favored     5  127.660   6  0.26   8  0.57  molprobity  1.000  
 410   410  t0        -64.6   -53.6  Favored     4  168.800   8  0.31  12  0.64  molprobity  1.000  
 411   411  Cg_endo   -86.3   118.1  Allowed     7  131.600   8  0.24  11  0.40  molprobity  1.000  
 412   412  mt        -57.2   129.6  Favored    11  114.620   8  0.40  12  0.46  molprobity  1.000  
 413   413  Cg_endo   -58.6   140.8  Favored     7  128.780   8  0.18  11  0.37  molprobity  1.000  
 414   414  tp        -76.6   144.9  Favored    11  124.950   8  0.17  11  0.70  molprobity  1.000  
 415   415  m-20       64.6    45.2  Favored     4  147.820   8  0.15  11  0.42  molprobity  1.000  
 416   416  m        -122.9   133.8  Favored     7  124.520   7  0.21  10  0.52  molprobity  1.000  
 417   417  tt0       -69.2   125.7  Favored     6  131.200   9  0.24  12  0.32  molprobity  1.000  
 418   418  m        -138.7   168.4  Favored     9  112.800   7  0.16  10  0.59  molprobity  1.000  
 419   419  m        -107.7   113.4  Favored     7  118.010   7  0.22  10  0.63  molprobity  1.000  
 420   420  ?         -95.8   130.4  Favored     5  123.900   5  0.29   7  0.42  molprobity  1.000  
 421   421  mp       -101.8   130.1  Favored    11  133.900   8  0.23  11  0.33  molprobity  1.000  
 422   422  t        -158.6   152.9  Favored     5  155.340   6  0.27   8  0.54  molprobity  1.000  
 423   423  p         -55.1   -45.2  Favored     4  179.410   6  0.25   8  0.23  molprobity  1.000  
 424   424  t70       -91.9   133.8  Favored     4  199.380   8  0.20  11  0.73  molprobity  1.000  
 425   425  mp0        77.4    -3.8  Favored     6  197.130   9  0.24  12  0.68  molprobity  1.000  
 426   426  m-85       54.1  -118.6  Allowed     9  171.820  13  0.23  18  0.22  molprobity  1.000  
 427   427  m-85      -98.7    77.4  Favored     9  147.150  12  0.34  16  0.45  molprobity  1.000  
 428   428  p         -76.9   164.1  Favored     5  146.060   6  0.23   8  0.42  molprobity  1.000  
 429   429  ?        -111.6   128.0  Favored     5  129.120   5  0.29   7  0.48  molprobity  1.000  
 430   430  ?        -147.4  -173.1  Favored     3  133.320   4  0.25   5  0.23  molprobity  1.000  
 431   431  t        -129.5   133.6  Favored     9  128.320   7  0.17  10  0.42  molprobity  1.000  
 432   432  t         -63.3   135.4  Favored     9  115.180   7  0.23  10  0.37  molprobity  1.000  
 433   433  mmmt     -132.9    20.9  Favored    13  140.600   9  0.30  11  0.41  molprobity  1.000  
 434   434  ?         156.5   158.7  Favored     3  121.100   4  0.36   5  0.70  molprobity  1.000  
 435   435  m80      -127.1   150.2  Favored     7  113.280  11  0.16  15  0.37  molprobity  1.000  
 436   436  ttt180   -153.6   105.6  Favored    13  136.770  11  0.21  14  0.99  molprobity  1.000  
 437   437  ttmt     -100.7   108.7  Favored    13  135.300   9  0.29  11  0.48  molprobity  1.000  
 438   438  tt0      -123.1   131.0  Favored     6  130.830   9  0.23  12  0.41  molprobity  1.000  
 439   439  m          57.6    25.1  Favored     5  131.380   6  0.27   8  0.35  molprobity  1.000  
 440   440  ?          89.5   -14.5  Favored     3  141.710   4  0.44   5  0.55  molprobity  1.000  
 441   441  m         -87.8   120.2  Favored     4  143.550   6  0.26   8  0.35  molprobity  1.000  
 442   442  tp        -92.1   126.0  Favored    11  117.130   8  0.22  11  0.36  molprobity  1.000  
 443   443  m-85     -115.0   137.2  Favored     9  127.070  13  0.29  18  0.39  molprobity  1.000  
 444   444  m-85     -105.7   137.3  Favored     9  117.840  13  0.26  18  0.29  molprobity  1.000  
 445   445  t         -92.2    93.5  Favored     5  124.930   6  0.19   8  0.65  molprobity  1.000  
 446   446  mm        -88.5   128.7  Favored    11  130.190   8  0.22  11  0.36  molprobity  1.000  
 447   447  tt0       -96.2   105.0  Favored     6  152.650   9  0.26  12  0.45  molprobity  1.000  
 448   448  ttpp     -109.0   123.2  Favored    13  161.630   9  0.26  11  0.38  molprobity  1.000  
 449   449  tt0        55.1    43.1  Favored     6  159.900   9  0.20  12  0.37  molprobity  1.000  
 450   450  ?          64.8    37.0  Favored     3  155.130   4  0.21   5  0.23  molprobity  1.000  
 451   451  tp-100   -147.1   121.6  Favored     8  159.200   9  0.23  12  0.43  molprobity  1.000  
 452   452  mtt180    -85.5   131.2  Favored    13  142.440  11  0.19  14  1.08  molprobity  1.000  
 453   453  tttt     -136.4   145.1  Favored    13  156.110   9  0.23  11  0.39  molprobity  1.000  
 454   454  m95       -87.0   132.6  Favored    10  131.020  16  0.16  23  0.19  molprobity  1.000  
 455   455  m-85     -131.4   137.1  Favored     9  132.570  13  0.25  18  0.32  molprobity  1.000  
 456   456  mttp      -62.8   168.7  Favored    13  122.830   9  0.26  11  0.44  molprobity  1.000  
 457   457  ttm-85    -61.1   -44.9  Favored    13  117.260  11  0.20  14  1.01  molprobity  1.000  
 458   458  ptp       -70.9   -21.3  Favored     9  130.550   8  0.24  10  0.34  molprobity  1.000  
 459   459  ?         -78.8   -11.0  Favored     5  120.230   5  0.33   7  0.48  molprobity  1.000  
 460   460  t        -113.7   120.6  Favored     9  110.520   7  0.23  10  0.47  molprobity  1.000  
 461   461  pt       -133.7   155.1  Favored    11  113.130   8  0.20  11  0.55  molprobity  1.000  
 462   462  mt        -97.0   142.3  Favored    11  127.830   8  0.19  11  0.39  molprobity  1.000  
 463   463  p         -76.1   172.4  Favored     5  126.360   6  0.20   8  0.47  molprobity  1.000  
 464   464  tt        -60.3   -50.6  Favored    11  149.270   8  0.21  11  0.27  molprobity  1.000  
 465   465  tt0       -65.0   -44.4  Favored     6  167.890   9  0.23  12  0.32  molprobity  1.000  
 466   466  mt-30     -63.1   -44.4  Favored     8  130.800   9  0.29  12  0.46  molprobity  1.000  
 467   467  ?         -65.1   -38.6  Favored     3  136.190   4  0.15   5  0.26  molprobity  1.000  
 468   468  t30       -64.7   -36.7  Favored     6  144.850   8  0.22  11  0.32  molprobity  1.000  
 469   469  mtp85     -59.4   -28.4  Favored    13  155.650  11  0.23  14  0.92  molprobity  1.000  
 470   470  mt        -93.1    -6.6  Favored    11  133.990   8  0.19  11  0.44  molprobity  1.000  
 471   471  ttp180    -63.7   -40.3  Favored    13  143.460  11  0.20  14  1.04  molprobity  1.000  
 472   472  pt-20     -59.3   -37.3  Favored     6  187.310   9  0.22  12  0.28  molprobity  1.000  
 473   473  mt-30     -85.0   -57.8  Favored     8  173.590   9  0.21  12  0.31  molprobity  1.000  
 474   474  m-85     -117.1    88.6  Favored     9  151.770  13  0.24  18  0.35  molprobity  1.000  
 475   475  ?        -145.8   125.2  Favored     3  137.760   4  0.28   5  0.12  molprobity  1.000  
 476   476  mt            ?       ?  ?          11  134.720   7  0.19   8  0.38  molprobity  1.000  
 477   477  m-20          ?       ?  ?           5  173.480   8  0.20  11  0.24  molprobity  1.000  
 478   478  m         -77.6   119.6  Favored     5  160.080   6  0.18   8  0.29  molprobity  1.000  
 479   479  m-85     -105.9     3.6  Favored     9  174.580  12  0.35  16  0.33  molprobity  1.000  
 480   480  t         -85.5   133.4  Favored     9  151.260   7  0.23  10  0.35  molprobity  1.000  
 481   481  ?          95.0     9.3  Favored     3  138.300   4  0.42   5  0.55  molprobity  1.000  
 482   482  mp       -105.0   121.5  Favored    11  131.400   8  0.23  11  0.40  molprobity  1.000  
 483   483  mtt-85    -64.2   136.4  Favored    13  133.010  11  0.22  14  1.00  molprobity  1.000  
 484   484  m        -145.8   154.5  Favored     9  120.150   7  0.19  10  0.48  molprobity  1.000  
 485   485  t        -108.2   107.3  Favored     9  115.300   7  0.25  10  0.50  molprobity  1.000  
 486   486  ?        -135.2   151.4  Favored     5  128.920   5  0.38   7  0.56  molprobity  1.000  
 487   487  pttp      -98.5   138.4  Favored    13  140.910   9  0.26  11  0.40  molprobity  1.000  
 488   488  p-90     -107.5     8.8  Favored    10  156.610  16  0.16  23  0.24  molprobity  1.000  
 489   489  m        -124.6   145.0  Favored     5  164.450   6  0.27   8  0.42  molprobity  1.000  
 490   490  t         -57.2   -44.2  Favored     5  164.700   6  0.23   8  0.32  molprobity  1.000  
 491   491  t30      -124.5    86.3  Favored     6  173.110   8  0.22  11  0.60  molprobity  1.000  
 492   492  ?        -159.6   173.7  Favored     3  144.690   4  0.24   5  0.77  molprobity  1.000  
 493   493  m-85      -74.1   162.6  Favored     9  146.320  13  0.27  18  0.35  molprobity  1.000  
 494   494  m-85      -92.5   103.5  Favored     9  130.730  12  0.36  16  0.39  molprobity  1.000  
 495   495  m-85      -91.0   155.8  Favored     9  140.150  13  0.25  18  0.32  molprobity  1.000  
 496   496  p         -81.1   154.4  Favored     5  123.210   6  0.20   8  0.38  molprobity  1.000  
 497   497  ?        -177.4  -167.4  Favored     3  129.110   4  0.25   5  0.65  molprobity  1.000  
 498   498  ttpp     -139.9   142.3  Favored    13  131.350   9  0.25  11  0.32  molprobity  1.000  
 499   499  mt        -72.3   119.1  Favored    11  134.840   8  0.24  11  0.44  molprobity  1.000  
 500   500  t         -95.5   -19.4  Favored     7  151.690   7  0.24  10  0.56  molprobity  1.000  
 501   501  ttp180   -164.9   145.1  Favored    13  153.520  11  0.19  14  1.01  molprobity  1.000  
 502   502  t0       -106.9   110.0  Favored     4  169.630   8  0.22  11  0.40  molprobity  1.000  
 503   503  t        -100.0   166.8  Favored     9  181.210   7  0.26  10  0.47  molprobity  1.000  
 504   504  ?         -67.5   173.4  Favored     3  189.710   4  0.33   5  0.76  molprobity  1.000  
 505   505  ?          63.1    27.5  Favored     5  167.900   5  0.31   7  0.54  molprobity  1.000  
 506   506  ?          63.6    16.6  Favored     3  166.270   4  0.27   5  0.38  molprobity  1.000  
 507   507  tttt      -96.6   112.5  Favored    13  167.200   9  0.30  11  0.49  molprobity  1.000  
 508   508  m-85     -104.1   135.5  Favored     9  158.380  13  0.26  18  0.34  molprobity  1.000  
 509   509  tttt      -78.5   124.2  Favored    13  152.630   9  0.29  11  0.44  molprobity  1.000  
 510   510  mt       -117.1   132.4  Favored    11  146.070   8  0.23  11  0.51  molprobity  1.000  
 511   511  tp        -97.2   111.2  Favored    11  126.880   8  0.27  11  0.57  molprobity  1.000  
 512   512  m-85      -79.2   153.5  Favored     9  129.710  12  0.36  16  0.33  molprobity  1.000  
 513   513  m-20      -61.2   -17.9  Favored     4  123.520   8  0.21  11  0.31  molprobity  1.000  
 514   514  p-10      -86.4     0.5  Favored     4  124.960   8  0.20  11  0.49  molprobity  1.000  
 515   515  ?          95.7     4.7  Favored     3  122.160   4  0.37   5  0.67  molprobity  1.000  
 516   516  t80       -92.5   113.7  Favored     9  139.940  13  0.27  18  0.32  molprobity  1.000  
 517   517  tt0      -105.3   120.8  Favored     6  142.710   9  0.24  12  0.38  molprobity  1.000  
 518   518  p        -159.2   164.8  Favored     5  148.240   6  0.18   8  0.45  molprobity  1.000  
 519   519  m-20      -88.8   135.9  Favored     4  153.070   8  0.18  11  0.36  molprobity  1.000  
 520   520  t        -130.6   140.1  Favored     9  146.980   7  0.20  10  0.38  molprobity  1.000  
 521   521  mt        -75.7   150.3  Favored    11  155.480   8  0.27  11  0.36  molprobity  1.000  
 522   522  ?         -55.8   -33.5  Favored     3  154.110   4  0.14   5  0.32  molprobity  1.000  
 523   523  pttt      -62.8   -40.5  Favored    13  161.220   9  0.22  11  0.24  molprobity  1.000  
 524   524  m-20      -75.5    -8.5  Favored     4  144.520   8  0.17  11  0.47  molprobity  1.000  
 525   525  mt       -100.6   132.3  Favored    11  135.960   8  0.23  11  0.43  molprobity  1.000  
 526   526  mt       -113.2   124.6  Favored    11  127.630   8  0.22  11  0.37  molprobity  1.000  
 527   527  tp        -87.6    83.7  Favored    11  134.390   8  0.24  11  0.56  molprobity  1.000  
 528   528  m        -139.7    91.0  Favored     5  118.870   6  0.29   8  0.53  molprobity  1.000  
 529   529  t0        -67.2   -58.2  Favored     4  157.330   8  0.33  12  0.69  molprobity  1.000  
 530   530  Cg_endo   -84.7   118.2  Favored     7  119.810   8  0.19  11  0.48  molprobity  1.000  
 531   531  mt        -57.2   129.2  Favored    11  125.830   8  0.41  12  0.46  molprobity  1.000  
 532   532  Cg_endo   -57.9   140.3  Favored     7  132.770   8  0.19  11  0.36  molprobity  1.000  
 533   533  tp        -75.0   144.6  Favored    11  129.130   8  0.18  11  0.59  molprobity  1.000  
 534   534  m-20       66.0    39.5  Favored     4  149.680   8  0.16  11  0.35  molprobity  1.000  
 535   535  m        -119.0   130.5  Favored     7  132.380   7  0.22  10  0.55  molprobity  1.000  
 536   536  tt0       -67.0   128.6  Favored     6  133.260   9  0.25  12  0.34  molprobity  1.000  
 537   537  m        -136.8   168.3  Favored     9  130.820   7  0.18  10  0.58  molprobity  1.000  
 538   538  m        -106.5   114.9  Favored     7  140.600   7  0.22  10  0.66  molprobity  1.000  
 539   539  ?         -96.3   132.4  Favored     5  152.090   5  0.33   7  0.47  molprobity  1.000  
 540   540  mp       -106.6   128.6  Favored    11  154.520   8  0.23  11  0.39  molprobity  1.000  
 541   541  p        -165.3   157.3  Favored     5  164.950   6  0.27   8  0.58  molprobity  1.000  
 542   542  p         -58.9   -35.5  Favored     4  187.300   6  0.25   8  0.20  molprobity  1.000  
 543   543  t70       -88.5   119.3  Favored     4  219.000   8  0.20  11  0.75  molprobity  1.000  
 544   544  mp0        76.6     1.4  Favored     6  215.240   9  0.24  12  0.63  molprobity  1.000  
 545   545  m-85       57.1  -109.4  Allowed     9  198.390  13  0.23  18  0.27  molprobity  1.000  
 546   546  m-85     -102.2    84.3  Favored     9  166.850  12  0.36  16  0.43  molprobity  1.000  
 547   547  p         -86.6   163.3  Favored     5  158.800   6  0.21   8  0.41  molprobity  1.000  
 548   548  ?        -116.2   130.1  Favored     5  152.530   5  0.30   7  0.53  molprobity  1.000  
 549   549  ?        -146.5  -171.9  Favored     3  144.920   4  0.24   5  0.25  molprobity  1.000  
 550   550  t        -130.5   133.0  Favored     9  133.490   7  0.18  10  0.41  molprobity  1.000  
 551   551  t         -63.5   134.5  Favored     9  115.690   7  0.25  10  0.38  molprobity  1.000  
 552   552  mmmt     -131.2    18.7  Favored    13  129.390   9  0.27  11  0.39  molprobity  1.000  
 553   553  ?         159.0   161.4  Favored     3  110.740   4  0.36   5  0.73  molprobity  1.000  
 554   554  m80      -125.3   150.1  Favored     7  110.010  11  0.16  15  0.35  molprobity  1.000  
 555   555  ttt85    -151.5   110.7  Favored    13  145.860  11  0.21  14  1.00  molprobity  1.000  
 556   556  ttmt     -108.6   119.4  Favored    13  117.030   9  0.27  11  0.37  molprobity  1.000  
 557   557  tt0      -127.1   128.0  Favored     6  136.050   9  0.20  12  0.43  molprobity  1.000  
 558   558  m          60.6    23.9  Favored     5  136.700   6  0.30   8  0.39  molprobity  1.000  
 559   559  ?          82.6    -1.8  Favored     3  147.240   4  0.43   5  0.57  molprobity  1.000  
 560   560  t         -97.1   123.7  Favored     4  139.260   6  0.22   8  0.50  molprobity  1.000  
 561   561  tp        -97.0   145.0  Favored    11  119.160   8  0.21  11  0.49  molprobity  1.000  
 562   562  m-85     -132.0   138.9  Favored     9  127.520  13  0.27  18  0.44  molprobity  1.000  
 563   563  m-85     -108.4   136.5  Favored     9  130.340  13  0.27  18  0.29  molprobity  1.000  
 564   564  t         -91.3    91.1  Favored     5  125.250   6  0.19   8  0.61  molprobity  1.000  
 565   565  mm        -85.5   129.0  Favored    11  135.150   8  0.22  11  0.35  molprobity  1.000  
 566   566  tt0       -97.9   109.2  Favored     6  140.760   9  0.27  12  0.42  molprobity  1.000  
 567   567  ttpp     -115.5   124.8  Favored    13  171.800   9  0.23  11  0.39  molprobity  1.000  
 568   568  tt0        53.1    43.4  Favored     6  174.060   9  0.18  12  0.40  molprobity  1.000  
 569   569  ?          64.7    41.0  Favored     3  150.790   4  0.21   5  0.19  molprobity  1.000  
 570   570  tp-100   -151.1   124.7  Favored     8  164.590   9  0.24  12  0.42  molprobity  1.000  
 571   571  mtt180    -87.5   128.9  Favored    13  146.880  11  0.21  14  1.09  molprobity  1.000  
 572   572  tttt     -135.3   143.3  Favored    13  157.070   9  0.24  11  0.34  molprobity  1.000  
 573   573  m95       -84.5   136.5  Favored    10  134.860  16  0.15  23  0.20  molprobity  1.000  
 574   574  m-85     -134.6   135.2  Favored     9  135.370  13  0.24  18  0.33  molprobity  1.000  
 575   575  mttp      -62.3   168.5  Favored    13  135.480   9  0.25  11  0.45  molprobity  1.000  
 576   576  ttm-85    -61.4   -44.9  Favored    13  128.100  11  0.18  14  0.99  molprobity  1.000  
 577   577  ptp       -72.6   -18.8  Favored     9  129.440   8  0.24  10  0.35  molprobity  1.000  
 578   578  ?         -81.0   -10.7  Favored     5  128.440   5  0.31   7  0.48  molprobity  1.000  
 579   579  t        -114.7   120.5  Favored     9  123.290   7  0.25  10  0.45  molprobity  1.000  
 580   580  pt       -133.3   156.2  Favored    11  126.380   8  0.19  11  0.56  molprobity  1.000  
 581   581  mt        -98.0   140.8  Favored    11  120.770   8  0.20  11  0.38  molprobity  1.000  
 582   582  p         -74.0   177.1  Favored     5  138.110   6  0.18   8  0.52  molprobity  1.000  
 583   583  tt        -62.9   -49.1  Favored    11  148.290   8  0.21  11  0.26  molprobity  1.000  
 584   584  tt0       -67.0   -43.5  Favored     6  154.910   9  0.23  12  0.33  molprobity  1.000  
 585   585  mt-30     -63.1   -43.5  Favored     8  135.950   9  0.28  12  0.46  molprobity  1.000  
 586   586  ?         -67.0   -37.2  Favored     3  152.840   4  0.16   5  0.24  molprobity  1.000  
 587   587  t30       -65.0   -35.5  Favored     6  158.600   8  0.24  11  0.33  molprobity  1.000  
 588   588  mtp85     -58.2   -32.5  Favored    13  160.360  11  0.23  14  0.91  molprobity  1.000  
 589   589  mt        -90.8    -6.2  Favored    11  139.850   8  0.19  11  0.45  molprobity  1.000  
 590   590  ttp180    -63.0   -40.1  Favored    13  156.020  11  0.20  14  1.05  molprobity  1.000  
 591   591  pt-20     -57.1   -38.6  Favored     6  185.120   9  0.23  12  0.25  molprobity  1.000  
 592   592  mt-30     -88.3   -58.3  Favored     8  160.050   9  0.22  12  0.31  molprobity  1.000  
 593   593  m-85     -113.0    88.8  Favored     9  156.540  13  0.25  18  0.35  molprobity  1.000  
 594   594  ?        -146.5   125.7  Favored     3  152.920   4  0.30   5  0.14  molprobity  1.000  
 595   595  mt            ?       ?  ?          11  154.280   7  0.19   8  0.38  molprobity  1.000  
 596   596  m-20          ?       ?  ?           5  188.000   8  0.20  11  0.31  molprobity  1.000  
 597   597  t        -119.5   126.9  Favored     5  188.870   6  0.23   8  0.35  molprobity  1.000  
 598   598  m-85     -127.8    21.6  Favored     9  180.960  12  0.33  16  0.22  molprobity  1.000  
 599   599  t         -97.9   140.3  Favored     9  157.850   7  0.21  10  0.33  molprobity  1.000  
 600   600  ?          88.2    10.8  Favored     3  148.790   4  0.38   5  0.64  molprobity  1.000  
 601   601  mp       -103.5   129.1  Favored    11  156.930   8  0.23  11  0.29  molprobity  1.000  
 602   602  mtt-85    -67.4   137.2  Favored    13  147.140  11  0.21  14  0.98  molprobity  1.000  
 603   603  m        -145.2   154.5  Favored     9  137.830   7  0.20  10  0.46  molprobity  1.000  
 604   604  t        -108.6   107.0  Favored     9  126.180   7  0.25  10  0.51  molprobity  1.000  
 605   605  ?        -133.5   150.8  Favored     5  129.350   5  0.38   7  0.55  molprobity  1.000  
 606   606  pttp      -97.0   138.4  Favored    13  135.670   9  0.23  11  0.40  molprobity  1.000  
 607   607  p-90     -109.2    13.1  Favored    10  140.880  16  0.14  23  0.22  molprobity  1.000  
 608   608  m        -127.0   147.7  Favored     5  148.270   6  0.33   8  0.51  molprobity  1.000  
 609   609  t         -58.1   -44.2  Favored     5  150.080   6  0.18   8  0.32  molprobity  1.000  
 610   610  t30      -126.8    87.2  Favored     6  174.470   8  0.24  11  0.62  molprobity  1.000  
 611   611  ?        -159.2   178.6  Favored     3  130.340   4  0.25   5  0.73  molprobity  1.000  
 612   612  m-85      -77.4   166.4  Favored     9  130.050  13  0.29  18  0.36  molprobity  1.000  
 613   613  m-85      -96.5   105.5  Favored     9  132.600  12  0.35  16  0.36  molprobity  1.000  
 614   614  m-85      -91.8   151.4  Favored     9  129.750  13  0.28  18  0.28  molprobity  1.000  
 615   615  p         -80.7   153.1  Favored     5  124.780   6  0.18   8  0.37  molprobity  1.000  
 616   616  ?        -176.3  -167.4  Favored     3  131.850   4  0.27   5  0.66  molprobity  1.000  
 617   617  ttpp     -136.8   144.4  Favored    13  154.980   9  0.26  11  0.32  molprobity  1.000  
 618   618  mt        -72.8   118.2  Favored    11  152.580   8  0.23  11  0.39  molprobity  1.000  
 619   619  t         -93.7   -21.3  Favored     7  173.710   7  0.22  10  0.53  molprobity  1.000  
 620   620  ttp180   -163.6   146.7  Favored    13  179.020  11  0.17  14  0.97  molprobity  1.000  
 621   621  p-10     -107.5   109.5  Favored     4  187.590   8  0.24  11  0.45  molprobity  1.000  
 622   622  t         -99.8   166.8  Favored     9  201.410   7  0.25  10  0.47  molprobity  1.000  
 623   623  ?         -68.2   171.2  Favored     3  209.290   4  0.35   5  0.77  molprobity  1.000  
 624   624  ?          64.7    26.7  Favored     5  201.330   5  0.31   7  0.53  molprobity  1.000  
 625   625  ?          64.6    15.3  Favored     3  190.010   4  0.28   5  0.41  molprobity  1.000  
 626   626  tttt      -97.3   111.7  Favored    13  190.060   9  0.28  11  0.47  molprobity  1.000  
 627   627  m-85     -101.9   137.0  Favored     9  181.940  13  0.27  18  0.30  molprobity  1.000  
 628   628  tttt      -80.6   123.3  Favored    13  160.290   9  0.27  11  0.38  molprobity  1.000  
 629   629  mt       -116.3   131.4  Favored    11  171.480   8  0.24  11  0.48  molprobity  1.000  
 630   630  tp        -97.0   113.2  Favored    11  145.050   8  0.26  11  0.54  molprobity  1.000  
 631   631  m-85      -82.5   153.8  Favored     9  139.120  12  0.32  16  0.33  molprobity  1.000  
 632   632  m-20      -59.8   -19.5  Favored     4  136.710   8  0.20  11  0.26  molprobity  1.000  
 633   633  p-10      -84.3     2.0  Favored     4  139.310   8  0.20  11  0.48  molprobity  1.000  
 634   634  ?          93.9    -0.7  Favored     3  140.640   4  0.41   5  0.66  molprobity  1.000  
 635   635  t80       -88.6   114.7  Favored     9  145.430  13  0.29  18  0.32  molprobity  1.000  
 636   636  tt0      -105.5   123.7  Favored     6  159.690   9  0.24  12  0.38  molprobity  1.000  
 637   637  p        -158.9   164.9  Favored     5  156.520   6  0.23   8  0.46  molprobity  1.000  
 638   638  m-20      -88.2   136.9  Favored     4  176.400   8  0.19  11  0.37  molprobity  1.000  
 639   639  t        -130.7   141.2  Favored     9  174.650   7  0.21  10  0.40  molprobity  1.000  
 640   640  mt        -75.7   152.9  Favored    11  156.570   8  0.26  11  0.40  molprobity  1.000  
 641   641  ?         -58.4   -35.7  Favored     3  160.720   4  0.10   5  0.33  molprobity  1.000  
 642   642  pttt      -61.2   -38.9  Favored    13  142.520   9  0.23  11  0.23  molprobity  1.000  
 643   643  m-20      -77.2    -8.9  Favored     4  140.950   8  0.15  11  0.50  molprobity  1.000  
 644   644  mt       -101.3   134.1  Favored    11  143.730   8  0.21  11  0.44  molprobity  1.000  
 645   645  mt       -116.1   125.6  Favored    11  128.420   8  0.20  11  0.33  molprobity  1.000  
 646   646  tp        -88.8    85.3  Favored    11  135.620   8  0.24  11  0.46  molprobity  1.000  
 647   647  m        -138.9    88.8  Favored     5  131.820   6  0.31   8  0.59  molprobity  1.000  
 648   648  t0        -65.1   -53.3  Favored     4  170.620   8  0.32  12  0.63  molprobity  1.000  
 649   649  Cg_endo   -86.8   119.5  Allowed     7  145.500   8  0.24  11  0.41  molprobity  1.000  
 650   650  mt        -58.4   127.7  Favored    11  126.760   8  0.41  12  0.47  molprobity  1.000  
 651   651  Cg_endo   -58.0   140.8  Favored     7  132.260   8  0.20  11  0.38  molprobity  1.000  
 652   652  tp        -75.5   144.8  Favored    11  117.740   8  0.18  11  0.80  molprobity  1.000  
 653   653  m-20       63.3    41.6  Favored     4  126.610   8  0.19  11  0.34  molprobity  1.000  
 654   654  m        -116.8   130.9  Favored     7  118.980   7  0.21  10  0.53  molprobity  1.000  
 655   655  tt0       -65.7   121.5  Favored     6  124.600   9  0.25  12  0.35  molprobity  1.000  
 656   656  m        -131.1   167.3  Favored     9  121.200   7  0.16  10  0.56  molprobity  1.000  
 657   657  m        -105.3   105.4  Favored     7  121.660   7  0.19  10  0.62  molprobity  1.000  
 658   658  ?         -82.0   123.1  Favored     5  130.550   5  0.34   7  0.54  molprobity  1.000  
 659   659  mp        -96.4   111.5  Favored    11  143.710   8  0.22  11  0.47  molprobity  1.000  
 660   660  t        -129.0   152.7  Favored     5  131.760   6  0.31   8  0.48  molprobity  1.000  
 661   661  m         -54.5   -40.3  Favored     4  160.980   6  0.24   8  0.29  molprobity  1.000  
 662   662  t70       -98.8   158.8  Favored     4  167.660   8  0.15  11  0.53  molprobity  1.000  
 663   663  mp0        71.5     5.6  Favored     6  175.730   9  0.21  12  0.50  molprobity  1.000  
 664   664  t80        64.5   -97.5  Allowed     9  159.350  13  0.22  18  0.34  molprobity  1.000  
 665   665  m-85     -133.5    53.6  Favored     9  133.110  12  0.34  16  0.34  molprobity  1.000  
 666   666  p         -58.8   162.0  Favored     5  138.010   6  0.16   8  0.36  molprobity  1.000  
 667   667  ?        -119.5   114.6  Favored     5  137.920   5  0.25   7  0.58  molprobity  1.000  
 668   668  ?        -124.7  -167.6  Favored     3  124.180   4  0.26   5  0.33  molprobity  1.000  
 669   669  t        -130.8   133.2  Favored     9  127.690   7  0.17  10  0.41  molprobity  1.000  
 670   670  t         -62.7   134.1  Favored     9  116.320   7  0.25  10  0.36  molprobity  1.000  
 671   671  mmmt     -133.2    22.6  Favored    13  123.250   9  0.24  11  0.44  molprobity  1.000  
 672   672  ?         158.8   161.7  Favored     3  105.460   4  0.38   5  0.70  molprobity  1.000  
 673   673  m80      -131.3   157.5  Favored     7  110.010  11  0.15  15  0.38  molprobity  1.000  
 674   674  ttt180   -154.4   106.7  Favored    13  142.180  11  0.20  14  0.96  molprobity  1.000  
 675   675  ttmt      -96.8    94.2  Favored    13  128.250   9  0.27  11  0.55  molprobity  1.000  
 676   676  tt0      -111.3   123.3  Favored     6  155.150   9  0.23  12  0.37  molprobity  1.000  
 677   677  m          51.0    39.2  Favored     5  144.380   6  0.21   8  0.35  molprobity  1.000  
 678   678  ?          86.6   -45.7  Favored     3  139.840   4  0.14   5  0.22  molprobity  1.000  
 679   679  m         -59.4   123.5  Favored     4  154.700   6  0.22   8  0.28  molprobity  1.000  
 680   680  tp        -96.8   126.3  Favored    11  114.740   8  0.25  11  0.38  molprobity  1.000  
 681   681  m-85     -113.9   141.0  Favored     9  122.570  13  0.30  18  0.38  molprobity  1.000  
 682   682  m-85     -110.1   136.1  Favored     9  118.950  13  0.28  18  0.29  molprobity  1.000  
 683   683  t         -90.8    90.3  Favored     5  112.760   6  0.19   8  0.63  molprobity  1.000  
 684   684  mm        -83.5   128.4  Favored    11  120.900   8  0.21  11  0.35  molprobity  1.000  
 685   685  tt0       -95.5   109.6  Favored     6  135.360   9  0.26  12  0.41  molprobity  1.000  
 686   686  ttpp     -114.9   124.1  Favored    13  147.060   9  0.26  11  0.37  molprobity  1.000  
 687   687  tt0        52.7    43.4  Favored     6  154.050   9  0.19  12  0.37  molprobity  1.000  
 688   688  ?          65.3    39.4  Favored     3  141.670   4  0.26   5  0.27  molprobity  1.000  
 689   689  tp-100   -150.2   122.3  Favored     8  152.540   9  0.24  12  0.43  molprobity  1.000  
 690   690  mtt180    -88.5   132.1  Favored    13  135.370  11  0.20  14  1.09  molprobity  1.000  
 691   691  tttt     -136.7   142.6  Favored    13  150.000   9  0.23  11  0.36  molprobity  1.000  
 692   692  m95       -84.4   134.2  Favored    10  118.150  16  0.15  23  0.19  molprobity  1.000  
 693   693  m-85     -132.7   136.5  Favored     9  127.120  13  0.26  18  0.32  molprobity  1.000  
 694   694  mttp      -60.9   170.4  Allowed    13  136.320   9  0.25  11  0.45  molprobity  1.000  
 695   695  ttm-85    -60.5   -43.0  Favored    13  136.620  11  0.20  14  1.05  molprobity  1.000  
 696   696  ptp       -69.3   -23.2  Favored     9  136.630   8  0.26  10  0.35  molprobity  1.000  
 697   697  ?         -82.6    -5.2  Favored     5  121.160   5  0.32   7  0.51  molprobity  1.000  
 698   698  t        -117.1   119.9  Favored     9  115.270   7  0.23  10  0.46  molprobity  1.000  
 699   699  pt       -134.5   157.8  Favored    11  115.690   8  0.19  11  0.55  molprobity  1.000  
 700   700  mt        -99.5   142.3  Favored    11  117.840   8  0.20  11  0.47  molprobity  1.000  
 701   701  p         -75.5   173.4  Favored     5  137.570   6  0.20   8  0.45  molprobity  1.000  
 702   702  tt        -56.0   -58.0  Favored    11  156.270   8  0.21  11  0.37  molprobity  1.000  
 703   703  tt0       -62.7   -42.2  Favored     6  168.110   9  0.24  12  0.29  molprobity  1.000  
 704   704  mt-30     -61.0   -41.3  Favored     8  131.320   9  0.29  12  0.46  molprobity  1.000  
 705   705  ?         -63.1   -41.7  Favored     3  144.870   4  0.13   5  0.34  molprobity  1.000  
 706   706  t30       -62.0   -35.6  Favored     6  153.940   8  0.25  11  0.30  molprobity  1.000  
 707   707  mtp85     -62.1   -33.9  Favored    13  156.140  11  0.23  14  0.91  molprobity  1.000  
 708   708  mt        -88.2    -3.6  Favored    11  130.360   8  0.22  11  0.34  molprobity  1.000  
 709   709  ttp180    -79.5   -39.9  Favored    13  143.950  11  0.21  14  1.07  molprobity  1.000  
 710   710  pt-20     -57.0   -30.6  Favored     6  178.630   9  0.24  12  0.28  molprobity  1.000  
 711   711  mt-30    -101.2   -38.9  Favored     8  151.430   9  0.20  12  0.43  molprobity  1.000  
 712   712  m-85     -134.2    90.3  Favored     9  153.380  13  0.24  18  0.36  molprobity  1.000  
 713   713  ?        -145.2   145.6  Favored     3  135.190   4  0.23   5  0.57  molprobity  1.000  
 714   714  mt        -90.6  -178.9  Favored    11  148.350   8  0.24  11  0.50  molprobity  1.000  
 715   715  ?             ?       ?  ?           3  147.100   3  0.20   2  0.12  molprobity  1.000  
 716   716  m-20          ?       ?  ?           5  162.810   8  0.20  11  0.26  molprobity  1.000  
 717   717  p         -59.1   136.9  Favored     5  154.290   6  0.20   8  0.33  molprobity  1.000  
 718   718  m-85      -94.4     1.2  Favored     9  139.060  12  0.32  16  0.35  molprobity  1.000  
 719   719  t         -77.0   133.7  Favored     9  140.700   7  0.23  10  0.32  molprobity  1.000  
 720   720  ?          90.0     6.4  Favored     3  123.440   4  0.39   5  0.61  molprobity  1.000  
 721   721  mp       -105.4   125.9  Favored    11  123.560   8  0.23  11  0.37  molprobity  1.000  
 722   722  mtt-85    -66.5   137.3  Favored    13  133.770  11  0.20  14  0.99  molprobity  1.000  
 723   723  m        -144.9   156.4  Favored     9  116.750   7  0.19  10  0.54  molprobity  1.000  
 724   724  t        -110.3   109.5  Favored     9  120.070   7  0.25  10  0.51  molprobity  1.000  
 725   725  ?        -135.7   152.8  Favored     5  127.370   5  0.36   7  0.56  molprobity  1.000  
 726   726  pttp      -98.9   135.2  Favored    13  128.500   9  0.26  11  0.38  molprobity  1.000  
 727   727  p-90     -106.8    10.9  Favored    10  124.380  16  0.16  23  0.23  molprobity  1.000  
 728   728  m        -126.7   147.8  Favored     5  135.570   6  0.36   8  0.51  molprobity  1.000  
 729   729  t         -59.4   -44.3  Favored     5  162.580   6  0.20   8  0.31  molprobity  1.000  
 730   730  t30      -125.8    87.4  Favored     6  169.240   8  0.23  11  0.61  molprobity  1.000  
 731   731  ?        -159.0   177.5  Favored     3  132.770   4  0.28   5  0.73  molprobity  1.000  
 732   732  m-85      -77.3   164.6  Favored     9  124.120  13  0.26  18  0.35  molprobity  1.000  
 733   733  m-85      -93.9   103.8  Favored     9  134.900  12  0.36  16  0.40  molprobity  1.000  
 734   734  m-85      -89.5   151.3  Favored     9  115.220  13  0.29  18  0.29  molprobity  1.000  
 735   735  p         -78.5   155.3  Favored     5  118.240   6  0.19   8  0.43  molprobity  1.000  
 736   736  ?         179.2  -167.4  Favored     3  112.760   4  0.25   5  0.66  molprobity  1.000  
 737   737  ttpp     -137.8   144.7  Favored    13  135.550   9  0.26  11  0.31  molprobity  1.000  
 738   738  mt        -74.3   120.7  Favored    11  116.700   8  0.22  11  0.42  molprobity  1.000  
 739   739  t         -95.5   -16.6  Favored     7  125.200   7  0.23  10  0.58  molprobity  1.000  
 740   740  ttp180   -171.1   148.3  Favored    13  141.010  11  0.19  14  0.96  molprobity  1.000  
 741   741  t0       -107.4   111.7  Favored     4  163.150   8  0.22  11  0.40  molprobity  1.000  
 742   742  t        -101.9   167.6  Favored     9  150.730   7  0.22  10  0.48  molprobity  1.000  
 743   743  ?         -70.2   173.3  Favored     3  169.610   4  0.30   5  0.78  molprobity  1.000  
 744   744  ?          64.6    27.9  Favored     5  159.560   5  0.30   7  0.56  molprobity  1.000  
 745   745  ?          61.8    18.2  Favored     3  146.240   4  0.30   5  0.39  molprobity  1.000  
 746   746  tttt      -99.9   114.0  Favored    13  140.000   9  0.27  11  0.50  molprobity  1.000  
 747   747  m-85     -107.2   138.2  Favored     9  121.210  13  0.26  18  0.31  molprobity  1.000  
 748   748  tttt      -80.8   124.8  Favored    13  126.850   9  0.26  11  0.38  molprobity  1.000  
 749   749  mt       -115.3   132.8  Favored    11  118.010   8  0.23  11  0.51  molprobity  1.000  
 750   750  tp        -98.8   111.6  Favored    11  114.350   8  0.27  11  0.58  molprobity  1.000  
 751   751  m-85      -81.5   156.3  Favored     9  111.310  12  0.32  16  0.38  molprobity  1.000  
 752   752  m-20      -61.1   -18.6  Favored     4  125.030   8  0.21  11  0.30  molprobity  1.000  
 753   753  p-10      -86.7     0.4  Favored     4  117.640   8  0.18  11  0.49  molprobity  1.000  
 754   754  ?          95.4     5.7  Favored     3  130.740   4  0.33   5  0.70  molprobity  1.000  
 755   755  t80       -97.1   113.9  Favored     9  120.440  13  0.26  18  0.33  molprobity  1.000  
 756   756  tt0      -102.6   124.7  Favored     6  125.860   9  0.23  12  0.35  molprobity  1.000  
 757   757  p        -160.4   165.2  Favored     5  121.060   6  0.21   8  0.45  molprobity  1.000  
 758   758  m-20      -88.5   137.6  Favored     4  124.380   8  0.16  11  0.35  molprobity  1.000  
 759   759  t        -134.0   140.6  Favored     9  127.430   7  0.19  10  0.39  molprobity  1.000  
 760   760  mt        -74.0   155.6  Favored    11  133.930   8  0.25  11  0.45  molprobity  1.000  
 761   761  ?         -58.5   -38.4  Favored     3  120.790   4  0.12   5  0.30  molprobity  1.000  
 762   762  pttt      -61.2   -39.3  Favored    13  149.250   9  0.24  11  0.22  molprobity  1.000  
 763   763  m-20      -77.5    -5.3  Favored     4  130.890   8  0.17  11  0.48  molprobity  1.000  
 764   764  mt       -102.8   132.3  Favored    11  112.930   8  0.23  11  0.42  molprobity  1.000  
 765   765  mt       -111.9   126.2  Favored    11  115.710   8  0.21  11  0.34  molprobity  1.000  
 766   766  tp        -87.4    85.7  Favored    11  133.210   8  0.23  11  0.53  molprobity  1.000  
 767   767  m        -142.3    92.4  Favored     5  124.230   6  0.29   8  0.57  molprobity  1.000  
 768   768  t0        -68.8   -55.3  Favored     4  140.630   8  0.33  12  0.65  molprobity  1.000  
 769   769  Cg_endo   -85.3   118.8  Allowed     7  118.560   8  0.23  11  0.40  molprobity  1.000  
 770   770  mt        -57.3   129.3  Favored    11  122.350   8  0.40  12  0.46  molprobity  1.000  
 771   771  Cg_endo   -58.5   139.7  Favored     7  127.190   8  0.17  11  0.36  molprobity  1.000  
 772   772  tp        -72.9   148.6  Favored    11  128.220   8  0.17  11  0.62  molprobity  1.000  
 773   773  m-20       58.6    44.8  Favored     4  140.530   8  0.18  11  0.33  molprobity  1.000  
 774   774  m        -120.5   135.5  Favored     7  125.290   7  0.20  10  0.53  molprobity  1.000  
 775   775  tt0       -69.3   125.0  Favored     6  126.610   9  0.23  12  0.32  molprobity  1.000  
 776   776  m        -133.4   166.9  Favored     9  122.610   7  0.15  10  0.58  molprobity  1.000  
 777   777  m        -106.2   112.7  Favored     7  124.290   7  0.23  10  0.64  molprobity  1.000  
 778   778  ?         -91.5   127.7  Favored     5  143.650   5  0.35   7  0.46  molprobity  1.000  
 779   779  mp       -101.4   127.0  Favored    11  140.310   8  0.21  11  0.32  molprobity  1.000  
 780   780  t        -152.8   144.7  Favored     5  152.120   6  0.29   8  0.51  molprobity  1.000  
 781   781  p         -41.1   -58.8  Allowed     4  168.080   6  0.22   8  0.71  molprobity  1.000  
 782   782  t70       -85.1   135.4  Favored     4  194.950   8  0.22  11  0.66  molprobity  1.000  
 783   783  tp10       77.0    -6.3  Favored     6  169.850   9  0.20  12  0.65  molprobity  1.000  
 784   784  m-85       57.9  -114.2  Allowed     9  171.840  13  0.23  18  0.43  molprobity  1.000  
 785   785  m-85     -105.7    89.1  Favored     9  133.870  12  0.31  16  0.36  molprobity  1.000  
 786   786  p         -93.0   164.9  Favored     5  152.570   6  0.18   8  0.40  molprobity  1.000  
 787   787  ?        -116.7   127.1  Favored     5  136.090   5  0.32   7  0.48  molprobity  1.000  
 788   788  ?        -142.8  -171.0  Favored     3  133.250   4  0.25   5  0.22  molprobity  1.000  
 789   789  t        -131.6   134.9  Favored     9  127.040   7  0.18  10  0.39  molprobity  1.000  
 790   790  t         -65.5   135.2  Favored     9  120.200   7  0.22  10  0.35  molprobity  1.000  
 791   791  mmmt     -133.0    17.8  Favored    13  134.880   9  0.30  11  0.41  molprobity  1.000  
 792   792  ?         159.2   152.9  Favored     3  119.380   4  0.33   5  0.26  molprobity  1.000  
 793   793  m80      -120.7   155.3  Favored     7  115.630  11  0.17  15  0.36  molprobity  1.000  
 794   794  ttt180   -154.1   105.5  Favored    13  147.770  11  0.21  14  1.01  molprobity  1.000  
 795   795  tttp     -101.7   111.3  Favored    13  140.830   9  0.29  11  0.49  molprobity  1.000  
 796   796  tt0      -121.6   124.7  Favored     6  152.510   9  0.22  12  0.42  molprobity  1.000  
 797   797  m          48.4    42.8  Favored     5  145.120   6  0.15   8  0.34  molprobity  1.000  
 798   798  ?          91.8   -44.2  Favored     3  134.890   4  0.15   5  0.39  molprobity  1.000  
 799   799  m         -65.5   126.3  Favored     4  164.020   6  0.17   8  0.40  molprobity  1.000  
 800   800  tp       -103.2   129.1  Favored    11  125.020   8  0.24  11  0.37  molprobity  1.000  
 801   801  m-85     -118.9   141.4  Favored     9  130.910  13  0.30  18  0.40  molprobity  1.000  
 802   802  m-85     -109.4   137.0  Favored     9  127.780  13  0.27  18  0.29  molprobity  1.000  
 803   803  t         -92.2    93.1  Favored     5  126.820   6  0.19   8  0.61  molprobity  1.000  
 804   804  mm        -86.9   129.3  Favored    11  131.970   8  0.22  11  0.37  molprobity  1.000  
 805   805  tt0       -97.7   105.0  Favored     6  145.190   9  0.27  12  0.48  molprobity  1.000  
 806   806  ttpp     -111.3   123.8  Favored    13  160.440   9  0.28  11  0.35  molprobity  1.000  
 807   807  tt0        52.9    44.5  Favored     6  173.670   9  0.21  12  0.40  molprobity  1.000  
 808   808  ?          63.5    41.3  Favored     3  148.960   4  0.22   5  0.20  molprobity  1.000  
 809   809  tp-100   -151.4   117.8  Favored     8  179.880   9  0.25  12  0.42  molprobity  1.000  
 810   810  mtt180    -82.5   128.8  Favored    13  141.570  11  0.18  14  1.05  molprobity  1.000  
 811   811  tttt     -136.9   145.1  Favored    13  153.070   9  0.22  11  0.42  molprobity  1.000  
 812   812  m95       -86.7   137.2  Favored    10  138.330  16  0.15  23  0.22  molprobity  1.000  
 813   813  m-85     -133.4   141.2  Favored     9  130.730  13  0.23  18  0.31  molprobity  1.000  
 814   814  mttp      -65.0   168.7  Favored    13  136.140   9  0.25  11  0.44  molprobity  1.000  
 815   815  ttm-85    -61.6   -43.8  Favored    13  116.330  11  0.20  14  1.06  molprobity  1.000  
 816   816  ptp       -71.6   -23.4  Favored     9  145.330   8  0.24  10  0.35  molprobity  1.000  
 817   817  ?         -77.2   -11.1  Favored     5  123.650   5  0.31   7  0.50  molprobity  1.000  
 818   818  t        -113.4   120.5  Favored     9  117.030   7  0.23  10  0.46  molprobity  1.000  
 819   819  pt       -135.5   155.5  Favored    11  117.860   8  0.18  11  0.54  molprobity  1.000  
 820   820  mt        -93.4   143.6  Favored    11  115.450   8  0.21  11  0.46  molprobity  1.000  
 821   821  p         -76.4   172.3  Favored     5  121.240   6  0.22   8  0.47  molprobity  1.000  
 822   822  tt        -57.7   -52.3  Favored    11  146.330   8  0.22  11  0.34  molprobity  1.000  
 823   823  tt0       -64.4   -43.5  Favored     6  165.610   9  0.23  12  0.36  molprobity  1.000  
 824   824  mt-30     -63.6   -42.9  Favored     8  125.020   9  0.31  12  0.50  molprobity  1.000  
 825   825  ?         -67.3   -42.9  Favored     3  134.670   4  0.23   5  0.36  molprobity  1.000  
 826   826  t30       -59.3   -32.8  Favored     6  167.650   8  0.23  11  0.32  molprobity  1.000  
 827   827  mtp85     -60.9   -34.2  Favored    13  149.620  11  0.22  14  0.91  molprobity  1.000  
 828   828  mt        -88.5   -10.9  Favored    11  140.530   8  0.20  11  0.49  molprobity  1.000  
 829   829  ttp180    -58.0   -41.2  Favored    13  147.270  11  0.19  14  1.03  molprobity  1.000  
 830   830  pt-20     -59.2   -40.8  Favored     6  184.550   9  0.22  12  0.26  molprobity  1.000  
 831   831  mt-30     -85.6   -57.0  Favored     8  140.530   9  0.23  12  0.31  molprobity  1.000  
 832   832  m-85     -114.3    88.5  Favored     9  148.110  13  0.26  18  0.36  molprobity  1.000  
 833   833  ?        -146.4   125.9  Favored     3  129.410   4  0.29   5  0.17  molprobity  1.000  
 834   834  mt        -76.8   174.7  Favored    11  126.720   8  0.24  11  0.40  molprobity  1.000  
 835   835  ?             ?       ?  ?           3  128.310   3  0.22   2  0.12  molprobity  1.000  
 836   836  m-20          ?       ?  ?           5  191.800   8  0.20  11  0.25  molprobity  1.000  
 837   837  t         -85.2   122.7  Favored     5  169.760   6  0.19   8  0.39  molprobity  1.000  
 838   838  m-85     -120.9    41.8  Favored     9  168.370  12  0.34  16  0.28  molprobity  1.000  
 839   839  t        -111.6   128.3  Favored     9  142.840   7  0.21  10  0.39  molprobity  1.000  
 840   840  ?          83.5     7.2  Favored     3  140.760   4  0.35   5  0.57  molprobity  1.000  
 841   841  mp        -91.7   127.2  Favored    11  135.280   8  0.22  11  0.33  molprobity  1.000  
 842   842  mtt-85    -65.2   136.5  Favored    13  138.780  11  0.20  14  0.98  molprobity  1.000  
 843   843  m        -146.6   154.3  Favored     9  130.780   7  0.23  10  0.47  molprobity  1.000  
 844   844  t        -109.2   104.7  Favored     9  122.080   7  0.25  10  0.57  molprobity  1.000  
 845   845  ?        -131.6   149.2  Favored     5  122.350   5  0.36   7  0.53  molprobity  1.000  
 846   846  pttp      -97.5   133.7  Favored    13  115.930   9  0.24  11  0.41  molprobity  1.000  
 847   847  p-90     -104.0     9.1  Favored    10  131.380  16  0.16  23  0.24  molprobity  1.000  
 848   848  m        -123.3   146.0  Favored     5  130.080   6  0.29   8  0.46  molprobity  1.000  
 849   849  t         -58.2   -43.1  Favored     5  159.630   6  0.21   8  0.32  molprobity  1.000  
 850   850  t30      -126.4    86.7  Favored     6  159.700   8  0.24  11  0.61  molprobity  1.000  
 851   851  ?        -159.2   175.5  Favored     3  145.300   4  0.29   5  0.75  molprobity  1.000  
 852   852  m-85      -75.4   164.2  Favored     9  131.100  13  0.25  18  0.33  molprobity  1.000  
 853   853  m-85      -91.9   104.9  Favored     9  117.610  12  0.35  16  0.38  molprobity  1.000  
 854   854  m-85      -91.8   152.2  Favored     9  122.410  13  0.27  18  0.27  molprobity  1.000  
 855   855  p         -79.5   152.5  Favored     5  115.630   6  0.18   8  0.37  molprobity  1.000  
 856   856  ?        -176.8  -168.8  Favored     3  113.790   4  0.23   5  0.65  molprobity  1.000  
 857   857  ttpp     -138.0   142.3  Favored    13  146.620   9  0.26  11  0.30  molprobity  1.000  
 858   858  mt        -72.5   117.5  Favored    11  139.440   8  0.24  11  0.39  molprobity  1.000  
 859   859  t         -94.4   -22.7  Favored     7  150.500   7  0.24  10  0.53  molprobity  1.000  
 860   860  ttp180   -160.6   147.7  Favored    13  170.010  11  0.18  14  1.00  molprobity  1.000  
 861   861  t0       -107.3   110.4  Favored     4  163.770   8  0.23  11  0.42  molprobity  1.000  
 862   862  t        -100.8   167.4  Favored     9  158.320   7  0.25  10  0.47  molprobity  1.000  
 863   863  ?         -68.0   169.8  Favored     3  156.010   4  0.32   5  0.79  molprobity  1.000  
 864   864  ?          64.9    29.1  Favored     5  160.370   5  0.32   7  0.56  molprobity  1.000  
 865   865  ?          63.3    16.8  Favored     3  163.100   4  0.28   5  0.40  molprobity  1.000  
 866   866  tttt      -99.3   109.5  Favored    13  151.750   9  0.27  11  0.45  molprobity  1.000  
 867   867  m-85      -99.0   136.0  Favored     9  144.850  13  0.25  18  0.33  molprobity  1.000  
 868   868  tttt      -79.3   123.3  Favored    13  139.510   9  0.29  11  0.41  molprobity  1.000  
 869   869  mt       -114.6   132.2  Favored    11  117.800   8  0.24  11  0.51  molprobity  1.000  
 870   870  tp        -97.0   111.7  Favored    11  116.530   8  0.26  11  0.59  molprobity  1.000  
 871   871  m-85      -80.8   155.5  Favored     9  114.890  12  0.33  16  0.36  molprobity  1.000  
 872   872  m-20      -60.9   -17.9  Favored     4  125.400   8  0.19  11  0.30  molprobity  1.000  
 873   873  p-10      -87.1     5.0  Favored     4  125.490   8  0.20  11  0.43  molprobity  1.000  
 874   874  ?          89.4     0.6  Favored     3  121.850   4  0.38   5  0.65  molprobity  1.000  
 875   875  t80       -88.7   115.2  Favored     9  131.390  13  0.29  18  0.31  molprobity  1.000  
 876   876  tt0      -106.6   120.8  Favored     6  144.600   9  0.23  12  0.39  molprobity  1.000  
 877   877  p        -159.4   164.9  Favored     5  122.900   6  0.22   8  0.46  molprobity  1.000  
 878   878  m-20      -87.5   137.8  Favored     4  128.560   8  0.18  11  0.36  molprobity  1.000  
 879   879  t        -131.0   142.6  Favored     9  132.270   7  0.20  10  0.39  molprobity  1.000  
 880   880  mt        -76.7   154.8  Favored    11  139.220   8  0.25  11  0.39  molprobity  1.000  
 881   881  ?         -57.7   -39.4  Favored     3  148.640   4  0.11   5  0.31  molprobity  1.000  
 882   882  pttt      -61.3   -39.3  Favored    13  158.500   9  0.23  11  0.22  molprobity  1.000  
 883   883  m-20      -75.0    -8.7  Favored     4  135.900   8  0.18  11  0.48  molprobity  1.000  
 884   884  mt        -99.3   132.6  Favored    11  125.710   8  0.23  11  0.42  molprobity  1.000  
 885   885  mt       -112.2   126.5  Favored    11  122.040   8  0.22  11  0.36  molprobity  1.000  
 886   886  tp        -88.4    85.8  Favored    11  132.040   8  0.23  11  0.51  molprobity  1.000  
 887   887  m        -142.9    92.7  Favored     5  136.430   6  0.28   8  0.56  molprobity  1.000  
 888   888  t0        -70.3   -56.2  Favored     4  164.660   8  0.31  12  0.67  molprobity  1.000  
 889   889  Cg_endo   -85.6   119.7  Allowed     7  140.330   8  0.28  11  0.43  molprobity  1.000  
 890   890  mt        -57.1   129.7  Favored    11  131.090   8  0.39  12  0.45  molprobity  1.000  
 891   891  Cg_endo   -58.1   141.0  Favored     7  125.740   8  0.18  11  0.37  molprobity  1.000  
 892   892  tp        -74.8   144.0  Favored    11  116.890   8  0.18  11  0.56  molprobity  1.000  
 893   893  m-20       64.7    45.1  Favored     4  125.400   8  0.20  11  0.41  molprobity  1.000  
 894   894  m        -123.1   131.2  Favored     7  123.330   7  0.22  10  0.55  molprobity  1.000  
 895   895  tt0       -70.4   126.6  Favored     6  123.030   9  0.23  12  0.35  molprobity  1.000  
 896   896  m        -132.9   167.1  Favored     9  117.810   7  0.12  10  0.57  molprobity  1.000  
 897   897  m        -108.8   107.3  Favored     7  119.890   7  0.19  10  0.58  molprobity  1.000  
 898   898  ?         -86.9   139.2  Favored     5  128.010   5  0.28   7  0.40  molprobity  1.000  
 899   899  mp       -114.6   133.4  Favored    11  131.060   8  0.21  11  0.38  molprobity  1.000  
 900   900  p        -177.9   167.4  Favored     5  141.070   6  0.18   8  0.71  molprobity  1.000  
 901   901  p         -63.5   -31.5  Favored     4  190.970   6  0.30   8  0.22  molprobity  1.000  
 902   902  t70       -59.6   116.3  Favored     4  227.320   8  0.20  11  0.31  molprobity  1.000  
 903   903  mp0        54.1  -163.2  Allowed     6  216.420   9  0.24  12  0.44  molprobity  1.000  
 904   904  t80      -116.6   -57.7  Favored     9  183.330  13  0.24  18  0.29  molprobity  1.000  
 905   905  m-85     -134.3    33.7  Favored     9  138.940  12  0.29  16  0.19  molprobity  1.000  
 906   906  p         -53.3   125.4  Favored     5  149.130   6  0.21   8  0.32  molprobity  1.000  
 907   907  ?         -94.9   129.8  Favored     5  128.790   5  0.27   7  0.24  molprobity  1.000  
 908   908  ?        -123.0  -158.1  Favored     3  126.030   4  0.31   5  0.36  molprobity  1.000  
 909   909  t        -133.2   135.9  Favored     9  123.860   7  0.16  10  0.40  molprobity  1.000  
 910   910  t         -60.2   134.6  Favored     9  122.850   7  0.23  10  0.37  molprobity  1.000  
 911   911  mmmt     -135.6    19.2  Favored    13  139.960   9  0.28  11  0.46  molprobity  1.000  
 912   912  ?         157.7   164.3  Favored     3  117.470   4  0.36   5  0.71  molprobity  1.000  
 913   913  m80      -135.9   154.5  Favored     7  122.150  11  0.13  15  0.37  molprobity  1.000  
 914   914  ttt180   -155.7   103.3  Favored    13  139.280  11  0.26  14  1.02  molprobity  1.000  
 915   915  ttmt     -102.7   106.7  Favored    13  137.590   9  0.32  11  0.50  molprobity  1.000  
 916   916  tt0      -121.4   130.0  Favored     6  134.630   9  0.23  12  0.36  molprobity  1.000  
 917   917  m          58.7    30.7  Favored     5  153.790   6  0.25   8  0.31  molprobity  1.000  
 918   918  ?          78.8     4.0  Favored     3  156.100   4  0.41   5  0.62  molprobity  1.000  
 919   919  m        -105.2   121.0  Favored     4  153.910   6  0.48   8  0.37  molprobity  1.000  
 920   920  tp        -95.4   134.8  Favored    11  127.500   8  0.26  11  0.38  molprobity  1.000  
 921   921  m-85     -126.3   146.6  Favored     9  137.810  13  0.31  18  0.45  molprobity  1.000  
 922   922  m-85     -114.6   131.5  Favored     9  124.820  13  0.29  18  0.30  molprobity  1.000  
 923   923  t         -88.7    84.5  Favored     5  126.310   6  0.19   8  0.71  molprobity  1.000  
 924   924  mm        -82.1   128.2  Favored    11  132.070   8  0.23  11  0.36  molprobity  1.000  
 925   925  tt0       -98.9   110.4  Favored     6  140.320   9  0.27  12  0.44  molprobity  1.000  
 926   926  ttpp     -112.7   123.2  Favored    13  150.960   9  0.25  11  0.41  molprobity  1.000  
 927   927  tt0        55.2    44.4  Favored     6  157.120   9  0.19  12  0.39  molprobity  1.000  
 928   928  ?          63.7    42.7  Favored     3  150.130   4  0.23   5  0.20  molprobity  1.000  
 929   929  tp-100   -153.3   117.5  Favored     8  162.870   9  0.23  12  0.42  molprobity  1.000  
 930   930  mtt180    -83.2   129.3  Favored    13  137.640  11  0.19  14  1.05  molprobity  1.000  
 931   931  tttt     -135.1   141.6  Favored    13  151.930   9  0.24  11  0.35  molprobity  1.000  
 932   932  m95       -85.2   134.0  Favored    10  133.160  16  0.15  23  0.20  molprobity  1.000  
 933   933  m-85     -130.2   138.7  Favored     9  133.740  13  0.24  18  0.33  molprobity  1.000  
 934   934  mttp      -61.3   169.2  Favored    13  140.580   9  0.26  11  0.44  molprobity  1.000  
 935   935  ttm-85    -61.0   -43.4  Favored    13  133.400  11  0.22  14  1.03  molprobity  1.000  
 936   936  ptp       -73.2   -21.0  Favored     9  156.380   8  0.24  10  0.35  molprobity  1.000  
 937   937  ?         -78.4    -9.5  Favored     5  128.350   5  0.30   7  0.47  molprobity  1.000  
 938   938  t        -116.3   122.4  Favored     9  116.550   7  0.25  10  0.47  molprobity  1.000  
 939   939  pt       -134.9   156.6  Favored    11  122.810   8  0.20  11  0.56  molprobity  1.000  
 940   940  mt        -95.7   143.1  Favored    11  118.730   8  0.21  11  0.40  molprobity  1.000  
 941   941  p         -78.1   174.0  Favored     5  118.710   6  0.18   8  0.47  molprobity  1.000  
 942   942  tt        -58.7   -50.8  Favored    11  151.740   8  0.23  11  0.26  molprobity  1.000  
 943   943  tt0       -65.8   -46.4  Favored     6  142.690   9  0.23  12  0.35  molprobity  1.000  
 944   944  mt-30     -62.8   -43.2  Favored     8  120.760   9  0.29  12  0.46  molprobity  1.000  
 945   945  ?         -65.3   -40.9  Favored     3  126.970   4  0.14   5  0.26  molprobity  1.000  
 946   946  t30       -65.1   -33.5  Favored     6  137.700   8  0.23  11  0.33  molprobity  1.000  
 947   947  mtp85     -61.0   -29.6  Favored    13  153.090  11  0.22  14  0.92  molprobity  1.000  
 948   948  mt        -91.0    -5.5  Favored    11  135.970   8  0.20  11  0.47  molprobity  1.000  
 949   949  ttp180    -63.4   -39.0  Favored    13  135.310  11  0.19  14  1.04  molprobity  1.000  
 950   950  pt-20     -60.0   -39.6  Favored     6  175.520   9  0.23  12  0.27  molprobity  1.000  
 951   951  mt-30     -86.2   -57.0  Favored     8  146.700   9  0.21  12  0.32  molprobity  1.000  
 952   952  m-85     -116.4    88.0  Favored     9  140.800  13  0.26  18  0.36  molprobity  1.000  
 953   953  ?        -146.4   125.5  Favored     3  156.260   4  0.28   5  0.16  molprobity  1.000  
 954   954  mt        -75.6   174.1  Favored    11  144.290   8  0.25  11  0.46  molprobity  1.000  
 955   955  ?             ?       ?  ?           3  145.480   3  0.19   2  0.14  molprobity  1.000  
 956   956  m-20          ?       ?  ?           5  173.010   8  0.18  11  0.26  molprobity  1.000  
 957   957  t         -87.4   124.9  Favored     5  172.570   6  0.21   8  0.37  molprobity  1.000  
 958   958  m-85     -124.8    37.7  Favored     9  164.660  12  0.33  16  0.27  molprobity  1.000  
 959   959  t        -107.1   128.9  Favored     9  159.130   7  0.23  10  0.37  molprobity  1.000  
 960   960  ?          84.9     3.0  Favored     3  139.330   4  0.41   5  0.60  molprobity  1.000  
 961   961  mp        -89.3   128.5  Favored    11  139.760   8  0.23  11  0.31  molprobity  1.000  
 962   962  mtt-85    -65.6   137.6  Favored    13  149.210  11  0.19  14  0.97  molprobity  1.000  
 963   963  m        -147.5   152.9  Favored     9  136.080   7  0.21  10  0.47  molprobity  1.000  
 964   964  t        -108.2   105.0  Favored     9  122.780   7  0.25  10  0.49  molprobity  1.000  
 965   965  ?        -131.6   148.6  Favored     5  131.930   5  0.36   7  0.54  molprobity  1.000  
 966   966  pttp      -96.8   137.3  Favored    13  156.400   9  0.24  11  0.38  molprobity  1.000  
 967   967  p-90     -107.0    11.3  Favored    10  151.860  16  0.15  23  0.23  molprobity  1.000  
 968   968  m        -126.2   148.8  Favored     5  167.050   6  0.31   8  0.52  molprobity  1.000  
 969   969  t         -58.3   -44.5  Favored     5  177.350   6  0.20   8  0.30  molprobity  1.000  
 970   970  t30      -126.9    86.5  Favored     6  190.530   8  0.23  11  0.62  molprobity  1.000  
 971   971  ?        -155.7   176.8  Favored     3  158.700   4  0.29   5  0.74  molprobity  1.000  
 972   972  m-85      -75.6   161.4  Favored     9  148.990  13  0.27  18  0.35  molprobity  1.000  
 973   973  m-85      -91.3   105.0  Favored     9  137.260  12  0.35  16  0.33  molprobity  1.000  
 974   974  m-85      -91.6   152.4  Favored     9  127.950  13  0.27  18  0.28  molprobity  1.000  
 975   975  p         -78.7   154.7  Favored     5  121.030   6  0.19   8  0.37  molprobity  1.000  
 976   976  ?        -178.1  -168.0  Favored     3  134.070   4  0.26   5  0.64  molprobity  1.000  
 977   977  ttpp     -138.0   140.8  Favored    13  149.170   9  0.26  11  0.32  molprobity  1.000  
 978   978  mt        -71.7   117.3  Favored    11  145.920   8  0.25  11  0.41  molprobity  1.000  
 979   979  t         -92.9   -23.7  Favored     7  165.100   7  0.23  10  0.54  molprobity  1.000  
 980   980  ttp180   -162.7   147.4  Favored    13  188.340  11  0.19  14  0.97  molprobity  1.000  
 981   981  t0       -108.8   113.9  Favored     4  171.780   8  0.23  11  0.41  molprobity  1.000  
 982   982  t        -103.3   166.2  Favored     9  180.020   7  0.25  10  0.46  molprobity  1.000  
 983   983  ?         -67.2   173.4  Favored     3  178.000   4  0.32   5  0.78  molprobity  1.000  
 984   984  ?          63.0    27.1  Favored     5  191.140   5  0.33   7  0.53  molprobity  1.000  
 985   985  ?          64.9    18.5  Favored     3  186.190   4  0.29   5  0.43  molprobity  1.000  
 986   986  tttt     -100.3   115.0  Favored    13  187.020   9  0.28  11  0.47  molprobity  1.000  
 987   987  m-85     -103.4   137.2  Favored     9  169.370  13  0.26  18  0.35  molprobity  1.000  
 988   988  tttt      -79.2   124.5  Favored    13  156.040   9  0.28  11  0.41  molprobity  1.000  
 989   989  mt       -117.0   132.5  Favored    11  146.020   8  0.24  11  0.49  molprobity  1.000  
 990   990  tp        -98.6   108.3  Favored    11  141.000   8  0.25  11  0.58  molprobity  1.000  
 991   991  m-85      -77.7   153.3  Favored     9  138.770  12  0.32  16  0.31  molprobity  1.000  
 992   992  m-20      -61.3   -19.0  Favored     4  135.610   8  0.19  11  0.30  molprobity  1.000  
 993   993  p-10      -88.4     3.8  Favored     4  129.720   8  0.18  11  0.47  molprobity  1.000  
 994   994  ?          93.0     5.0  Favored     3  128.810   4  0.41   5  0.64  molprobity  1.000  
 995   995  t80       -92.6   112.2  Favored     9  137.140  13  0.29  18  0.33  molprobity  1.000  
 996   996  tt0      -104.8   121.0  Favored     6  164.960   9  0.23  12  0.40  molprobity  1.000  
 997   997  p        -160.0   165.6  Favored     5  167.490   6  0.18   8  0.48  molprobity  1.000  
 998   998  m-20      -90.6   133.4  Favored     4  172.550   8  0.17  11  0.34  molprobity  1.000  
 999   999  t        -130.0   138.7  Favored     9  159.460   7  0.20  10  0.37  molprobity  1.000  
1000  1000  mt        -72.5   152.7  Favored    11  164.850   8  0.26  11  0.40  molprobity  1.000  
1001  1001  ?         -58.8   -36.5  Favored     3  159.540   4  0.10   5  0.30  molprobity  1.000  
1002  1002  pttt      -60.6   -41.3  Favored    13  161.570   9  0.22  11  0.23  molprobity  1.000  
1003  1003  m-20      -76.9   -10.5  Favored     4  154.290   8  0.19  11  0.46  molprobity  1.000  
1004  1004  mt        -94.7   140.8  Favored    11  145.210   8  0.21  11  0.40  molprobity  1.000  
1005  1005  mt       -119.1   126.2  Favored    11  127.400   8  0.21  11  0.36  molprobity  1.000  
1006  1006  tp        -89.3    87.4  Favored    11  132.420   8  0.24  11  0.49  molprobity  1.000  
1007  1007  m        -143.2    92.8  Favored     5  139.180   6  0.27   8  0.55  molprobity  1.000  
1008  1008  t0        -68.8   -57.5  Favored     4  165.550   8  0.32  12  0.69  molprobity  1.000  
1009  1009  Cg_endo   -84.8   117.7  Favored     7  150.180   8  0.25  11  0.41  molprobity  1.000  
1010  1010  mt        -57.0   132.3  Favored    11  127.630   8  0.39  12  0.47  molprobity  1.000  
1011  1011  Cg_endo   -58.7   140.6  Favored     7  128.860   8  0.18  11  0.37  molprobity  1.000  
1012  1012  tp        -79.2   142.7  Favored    11  130.100   8  0.17  11  0.90  molprobity  1.000  
1013  1013  m-20       63.4    46.2  Favored     4  151.700   8  0.17  11  0.42  molprobity  1.000  
1014  1014  m        -123.2   129.2  Favored     7  134.800   7  0.21  10  0.55  molprobity  1.000  
1015  1015  tt0       -65.2   126.5  Favored     6  143.740   9  0.24  12  0.33  molprobity  1.000  
1016  1016  m        -136.7   168.5  Favored     9  136.020   7  0.16  10  0.59  molprobity  1.000  
1017  1017  m        -107.3   111.8  Favored     7  133.920   7  0.22  10  0.63  molprobity  1.000  
1018  1018  ?         -91.2   124.4  Favored     5  151.020   5  0.28   7  0.46  molprobity  1.000  
1019  1019  mp       -100.7   124.8  Favored    11  146.050   8  0.22  11  0.36  molprobity  1.000  
1020  1020  p        -149.0   145.6  Favored     5  162.140   6  0.31   8  0.56  molprobity  1.000  
1021  1021  p         -53.1   -38.9  Favored     4  191.470   6  0.27   8  0.29  molprobity  1.000  
1022  1022  t70       -93.0   130.9  Favored     4  184.230   8  0.20  11  0.60  molprobity  1.000  
1023  1023  tp10       79.8    -3.5  Favored     6  194.580   9  0.23  12  0.59  molprobity  1.000  
1024  1024  m-85       55.8  -120.3  Allowed     9  191.770  13  0.32  18  0.85  molprobity  1.000  
1025  1025  m-85     -102.8    83.0  Favored     9  150.450  12  0.30  16  0.44  molprobity  1.000  
1026  1026  p         -83.6   164.4  Favored     5  156.170   6  0.19   8  0.41  molprobity  1.000  
1027  1027  ?        -116.7   130.7  Favored     5  160.640   5  0.31   7  0.51  molprobity  1.000  
1028  1028  ?        -149.0  -170.3  Favored     3  152.830   4  0.26   5  0.23  molprobity  1.000  
1029  1029  t        -132.4   135.0  Favored     9  145.020   7  0.19  10  0.41  molprobity  1.000  
1030  1030  t         -63.5   135.8  Favored     9  129.960   7  0.22  10  0.37  molprobity  1.000  
1031  1031  mmmt     -131.6    20.5  Favored    13  137.980   9  0.28  11  0.35  molprobity  1.000  
1032  1032  ?         156.6   161.5  Favored     3  124.990   4  0.39   5  0.71  molprobity  1.000  
1033  1033  m80      -128.2   157.1  Favored     7  127.110  11  0.16  15  0.42  molprobity  1.000  
1034  1034  ttt180   -156.3   107.1  Favored    13  150.530  11  0.22  14  1.00  molprobity  1.000  
1035  1035  ttmt     -103.2   110.8  Favored    13  130.280   9  0.26  11  0.53  molprobity  1.000  
1036  1036  tt0      -117.2   125.1  Favored     6  158.020   9  0.25  12  0.37  molprobity  1.000  
1037  1037  m          51.8    40.9  Favored     5  149.780   6  0.22   8  0.39  molprobity  1.000  
1038  1038  ?          85.4   -30.8  Favored     3  145.780   4  0.35   5  0.23  molprobity  1.000  
1039  1039  m         -74.6   123.9  Favored     4  152.710   6  0.38   8  0.23  molprobity  1.000  
1040  1040  tp       -101.1   133.2  Favored    11  118.530   8  0.23  11  0.39  molprobity  1.000  
1041  1041  m-85     -122.8   141.5  Favored     9  127.770  13  0.27  18  0.39  molprobity  1.000  
1042  1042  m-85     -109.8   134.7  Favored     9  130.280  13  0.27  18  0.28  molprobity  1.000  
1043  1043  t         -92.2    91.6  Favored     5  134.190   6  0.18   8  0.63  molprobity  1.000  
1044  1044  mm        -85.7   130.3  Favored    11  140.020   8  0.21  11  0.36  molprobity  1.000  
1045  1045  tt0       -95.9   107.4  Favored     6  157.860   9  0.25  12  0.41  molprobity  1.000  
1046  1046  ttpp     -110.9   123.5  Favored    13  180.240   9  0.26  11  0.35  molprobity  1.000  
1047  1047  tt0        52.9    43.1  Favored     6  183.150   9  0.19  12  0.38  molprobity  1.000  
1048  1048  ?          65.0    40.8  Favored     3  175.430   4  0.26   5  0.23  molprobity  1.000  
1049  1049  tp-100   -148.5   119.2  Favored     8  180.650   9  0.23  12  0.42  molprobity  1.000  
1050  1050  mtt180    -85.0   128.5  Favored    13  154.150  11  0.19  14  1.07  molprobity  1.000  
1051  1051  tttt     -135.6   142.7  Favored    13  161.360   9  0.24  11  0.36  molprobity  1.000  
1052  1052  m95       -85.6   132.3  Favored    10  142.030  16  0.15  23  0.21  molprobity  1.000  
1053  1053  m-85     -129.1   138.8  Favored     9  138.350  13  0.23  18  0.35  molprobity  1.000  
1054  1054  mttp      -63.7   170.2  Favored    13  129.570   9  0.26  11  0.44  molprobity  1.000  
1055  1055  ttm-85    -60.9   -43.6  Favored    13  137.100  11  0.19  14  0.98  molprobity  1.000  
1056  1056  ptp       -74.9   -12.5  Favored     9  151.960   8  0.25  10  0.41  molprobity  1.000  
1057  1057  ?         -85.5    -7.0  Favored     5  126.240   5  0.33   7  0.52  molprobity  1.000  
1058  1058  t        -119.3   121.3  Favored     9  129.890   7  0.23  10  0.45  molprobity  1.000  
1059  1059  pt       -133.2   153.4  Favored    11  134.960   8  0.21  11  0.47  molprobity  1.000  
1060  1060  mt        -91.9   148.2  Favored    11  137.280   8  0.21  11  0.42  molprobity  1.000  
1061  1061  p         -81.3   176.9  Favored     5  135.570   6  0.20   8  0.48  molprobity  1.000  
1062  1062  tt        -62.3   -52.3  Favored    11  152.560   8  0.22  11  0.31  molprobity  1.000  
1063  1063  tt0       -64.8   -44.1  Favored     6  158.230   9  0.22  12  0.33  molprobity  1.000  
1064  1064  mt-30     -62.5   -44.2  Favored     8  143.570   9  0.28  12  0.46  molprobity  1.000  
1065  1065  ?         -64.5   -38.8  Favored     3  145.870   4  0.13   5  0.28  molprobity  1.000  
1066  1066  t30       -64.3   -37.4  Favored     6  164.500   8  0.23  11  0.31  molprobity  1.000  
1067  1067  mtp85     -59.2   -30.9  Favored    13  171.710  11  0.25  14  0.96  molprobity  1.000  
1068  1068  mt        -90.7    -7.0  Favored    11  144.070   8  0.20  11  0.44  molprobity  1.000  
1069  1069  ttp180    -64.3   -40.2  Favored    13  146.520  11  0.19  14  1.02  molprobity  1.000  
1070  1070  pt-20     -58.0   -40.4  Favored     6  193.700   9  0.22  12  0.26  molprobity  1.000  
1071  1071  mt-30     -85.6   -57.4  Favored     8  160.110   9  0.21  12  0.30  molprobity  1.000  
1072  1072  m-85     -114.5    88.6  Favored     9  152.690  13  0.23  18  0.35  molprobity  1.000  
1073  1073  ?        -145.7   124.6  Favored     3  160.860   4  0.28   5  0.17  molprobity  1.000  
1074  1074  mt            ?       ?  ?          11  146.500   7  0.20   8  0.44  molprobity  1.000  
1075  1075  m-20          ?       ?  ?           5  183.200   8  0.22  11  0.27  molprobity  1.000  
1076  1076  t         -91.8   114.6  Favored     5  193.120   6  0.16   8  0.43  molprobity  1.000  
1077  1077  m-85     -106.5     7.3  Favored     9  170.000  12  0.34  16  0.26  molprobity  1.000  
1078  1078  t         -84.8   141.2  Favored     9  160.330   7  0.22  10  0.36  molprobity  1.000  
1079  1079  ?          84.7    10.3  Favored     3  150.880   4  0.39   5  0.62  molprobity  1.000  
1080  1080  mp       -106.5   124.0  Favored    11  137.120   8  0.23  11  0.42  molprobity  1.000  
1081  1081  mtt-85    -67.2   136.5  Favored    13  160.370  11  0.20  14  0.96  molprobity  1.000  
1082  1082  m        -145.6   156.4  Favored     9  134.150   7  0.20  10  0.50  molprobity  1.000  
1083  1083  t        -108.3   106.3  Favored     9  137.100   7  0.26  10  0.51  molprobity  1.000  
1084  1084  ?        -131.9   150.7  Favored     5  152.550   5  0.36   7  0.53  molprobity  1.000  
1085  1085  pttp      -97.7   133.2  Favored    13  164.630   9  0.24  11  0.39  molprobity  1.000  
1086  1086  p-90     -103.3    10.8  Favored    10  159.110  16  0.15  23  0.23  molprobity  1.000  
1087  1087  m        -124.7   146.8  Favored     5  154.350   6  0.30   8  0.45  molprobity  1.000  
1088  1088  t         -58.9   -44.6  Favored     5  174.820   6  0.19   8  0.31  molprobity  1.000  
1089  1089  t30      -127.2    86.7  Favored     6  170.340   8  0.24  11  0.61  molprobity  1.000  
1090  1090  ?        -157.2   178.8  Favored     3  152.150   4  0.29   5  0.76  molprobity  1.000  
1091  1091  m-85      -75.3   161.4  Favored     9  147.260  13  0.25  18  0.33  molprobity  1.000  
1092  1092  m-85      -92.1   101.9  Favored     9  157.830  12  0.34  16  0.40  molprobity  1.000  
1093  1093  m-85      -87.4   151.3  Favored     9  144.500  13  0.26  18  0.27  molprobity  1.000  
1094  1094  p         -79.0   155.0  Favored     5  134.460   6  0.20   8  0.42  molprobity  1.000  
1095  1095  ?        -178.6  -167.2  Favored     3  146.900   4  0.25   5  0.68  molprobity  1.000  
1096  1096  ttpp     -138.1   142.7  Favored    13  151.670   9  0.25  11  0.32  molprobity  1.000  
1097  1097  mt        -72.9   117.1  Favored    11  150.970   8  0.24  11  0.41  molprobity  1.000  
1098  1098  t         -93.1   -18.8  Favored     7  161.170   7  0.25  10  0.54  molprobity  1.000  
1099  1099  ttm105   -166.5   148.0  Favored    13  174.830  11  0.18  14  1.09  molprobity  1.000  
1100  1100  t0       -106.7   110.5  Favored     4  193.360   8  0.24  11  0.41  molprobity  1.000  
1101  1101  t        -100.3   166.4  Favored     9  189.770   7  0.25  10  0.46  molprobity  1.000  
1102  1102  ?         -67.0   171.3  Favored     3  211.470   4  0.33   5  0.78  molprobity  1.000  
1103  1103  ?          62.8    28.8  Favored     5  215.380   5  0.31   7  0.53  molprobity  1.000  
1104  1104  ?          63.6    17.0  Favored     3  194.170   4  0.27   5  0.39  molprobity  1.000  
1105  1105  tttt      -96.8   112.6  Favored    13  179.340   9  0.27  11  0.50  molprobity  1.000  
1106  1106  m-85     -101.6   136.0  Favored     9  174.360  13  0.27  18  0.34  molprobity  1.000  
1107  1107  tttt      -78.9   123.0  Favored    13  167.490   9  0.26  11  0.38  molprobity  1.000  
1108  1108  mt       -115.5   130.6  Favored    11  153.930   8  0.23  11  0.47  molprobity  1.000  
1109  1109  tp        -96.7   112.5  Favored    11  141.040   8  0.27  11  0.57  molprobity  1.000  
1110  1110  m-85      -83.1   155.5  Favored     9  141.400  12  0.31  16  0.36  molprobity  1.000  
1111  1111  m-20      -63.0   -15.8  Favored     4  139.320   8  0.20  11  0.30  molprobity  1.000  
1112  1112  p-10      -88.7     3.0  Favored     4  139.360   8  0.17  11  0.46  molprobity  1.000  
1113  1113  ?          92.3     6.8  Favored     3  156.190   4  0.36   5  0.67  molprobity  1.000  
1114  1114  t80       -97.8   108.7  Favored     9  150.070  13  0.27  18  0.38  molprobity  1.000  
1115  1115  pt-20    -100.8   122.4  Favored     6  174.290   9  0.24  12  0.42  molprobity  1.000  
1116  1116  p        -157.0   164.6  Favored     5  159.480   6  0.20   8  0.48  molprobity  1.000  
1117  1117  m-20      -87.2   136.3  Favored     4  165.960   8  0.17  11  0.35  molprobity  1.000  
1118  1118  t        -132.9   140.5  Favored     9  159.180   7  0.20  10  0.39  molprobity  1.000  
1119  1119  mt        -74.3   152.9  Favored    11  164.550   8  0.26  11  0.40  molprobity  1.000  
1120  1120  ?         -59.0   -36.6  Favored     3  168.530   4  0.12   5  0.31  molprobity  1.000  
1121  1121  pttt      -60.4   -40.2  Favored    13  164.840   9  0.21  11  0.24  molprobity  1.000  
1122  1122  m-20      -74.2   -10.3  Favored     4  174.710   8  0.19  11  0.46  molprobity  1.000  
1123  1123  mt        -95.8   136.1  Favored    11  148.650   8  0.22  11  0.42  molprobity  1.000  
1124  1124  mt       -114.2   124.3  Favored    11  148.730   8  0.21  11  0.38  molprobity  1.000  
1125  1125  tp        -87.6    82.5  Favored    11  156.710   8  0.23  11  0.57  molprobity  1.000  
1126  1126  m        -139.7    89.5  Favored     5  152.370   6  0.29   8  0.54  molprobity  1.000  
1127  1127  t0        -66.3   -52.8  Favored     4  158.320   8  0.32  12  0.63  molprobity  1.000  
1128  1128  Cg_endo   -86.3   119.5  Allowed     7  131.650   8  0.23  11  0.38  molprobity  1.000  
1129  1129  mt        -58.6   128.6  Favored    11  142.460   8  0.39  12  0.47  molprobity  1.000  
1130  1130  Cg_endo   -58.8   139.7  Favored     7  144.980   8  0.18  11  0.36  molprobity  1.000  
1131  1131  tp        -72.8   147.1  Favored    11  135.520   8  0.18  11  0.55  molprobity  1.000  
1132  1132  m-20       59.9    48.8  Favored     4  142.400   8  0.15  11  0.40  molprobity  1.000  
1133  1133  m        -123.0   133.4  Favored     7  138.610   7  0.20  10  0.54  molprobity  1.000  
1134  1134  tt0       -70.5   125.6  Favored     6  156.460   9  0.23  12  0.33  molprobity  1.000  
1135  1135  m        -136.0   168.8  Favored     9  150.080   7  0.15  10  0.61  molprobity  1.000  
1136  1136  m        -107.1   109.4  Favored     7  150.130   7  0.21  10  0.61  molprobity  1.000  
1137  1137  ?         -88.7   126.8  Favored     5  138.880   5  0.32   7  0.43  molprobity  1.000  
1138  1138  mp       -102.6   125.4  Favored    11  138.660   8  0.22  11  0.28  molprobity  1.000  
1139  1139  p        -152.3   143.2  Favored     5  160.960   6  0.31   8  0.47  molprobity  1.000  
1140  1140  p         -42.6   -58.2  Favored     4  176.130   6  0.24   8  0.48  molprobity  1.000  
1141  1141  t70       -81.2   137.0  Favored     4  177.600   8  0.21  11  0.62  molprobity  1.000  
1142  1142  tp10       76.8    -6.0  Favored     6  196.110   9  0.19  12  0.64  molprobity  1.000  
1143  1143  m-85       57.2  -114.1  Allowed     9  199.350  13  0.25  18  0.48  molprobity  1.000  
1144  1144  m-85     -106.3    88.3  Favored     9  156.310  12  0.34  16  0.33  molprobity  1.000  
1145  1145  p         -88.3   161.7  Favored     5  168.840   6  0.19   8  0.41  molprobity  1.000  
1146  1146  ?        -116.3   127.2  Favored     5  154.980   5  0.32   7  0.53  molprobity  1.000  
1147  1147  ?        -145.2  -171.5  Favored     3  151.640   4  0.23   5  0.21  molprobity  1.000  
1148  1148  t        -130.7   136.4  Favored     9  137.290   7  0.17  10  0.41  molprobity  1.000  
1149  1149  t         -65.5   131.7  Favored     9  131.810   7  0.26  10  0.35  molprobity  1.000  
1150  1150  mmmt     -130.7    23.0  Favored    13  142.700   9  0.30  11  0.41  molprobity  1.000  
1151  1151  ?         154.7   156.9  Favored     3  126.420   4  0.31   5  0.75  molprobity  1.000  
1152  1152  m80      -129.7   156.5  Favored     7  133.110  11  0.16  15  0.37  molprobity  1.000  
1153  1153  ttt180   -154.2   109.5  Favored    13  158.340  11  0.22  14  1.00  molprobity  1.000  
1154  1154  ttmt     -103.7   113.0  Favored    13  132.340   9  0.25  11  0.49  molprobity  1.000  
1155  1155  tt0      -123.8   122.5  Favored     6  139.190   9  0.22  12  0.41  molprobity  1.000  
1156  1156  m          53.6    38.7  Favored     5  139.200   6  0.17   8  0.39  molprobity  1.000  
1157  1157  ?          85.8   -38.1  Favored     3  129.570   4  0.23   5  0.14  molprobity  1.000  
1158  1158  m         -61.5   124.9  Favored     4  166.710   6  0.34   8  0.23  molprobity  1.000  
1159  1159  tp       -104.7   132.9  Favored    11  127.910   8  0.21  11  0.35  molprobity  1.000  
1160  1160  m-85     -126.3   143.1  Favored     9  137.220  13  0.28  18  0.38  molprobity  1.000  
1161  1161  m-85     -111.7   136.9  Favored     9  136.100  13  0.26  18  0.28  molprobity  1.000  
1162  1162  t         -92.2    93.7  Favored     5  136.650   6  0.18   8  0.60  molprobity  1.000  
1163  1163  mm        -88.1   129.5  Favored    11  134.190   8  0.21  11  0.36  molprobity  1.000  
1164  1164  tt0       -95.4   109.4  Favored     6  149.000   9  0.29  12  0.41  molprobity  1.000  
1165  1165  ttpp     -113.8   123.8  Favored    13  170.490   9  0.25  11  0.36  molprobity  1.000  
1166  1166  tt0        53.0    43.7  Favored     6  178.440   9  0.19  12  0.40  molprobity  1.000  
1167  1167  ?          65.2    42.4  Favored     3  161.130   4  0.24   5  0.19  molprobity  1.000  
1168  1168  tp-100   -153.2   120.8  Favored     8  167.560   9  0.25  12  0.41  molprobity  1.000  
1169  1169  mtt180    -85.0   132.2  Favored    13  147.310  11  0.19  14  1.05  molprobity  1.000  
1170  1170  tttt     -138.7   142.9  Favored    13  165.580   9  0.24  11  0.37  molprobity  1.000  
1171  1171  m95       -83.1   135.3  Favored    10  137.470  16  0.13  23  0.20  molprobity  1.000  
1172  1172  m-85     -132.4   140.3  Favored     9  133.470  13  0.23  18  0.31  molprobity  1.000  
1173  1173  mttp      -65.5   168.8  Favored    13  138.000   9  0.25  11  0.42  molprobity  1.000  
1174  1174  ttm-85    -60.5   -46.9  Favored    13  136.400  11  0.21  14  1.05  molprobity  1.000  
1175  1175  ptp       -76.6   -17.5  Favored     9  139.720   8  0.23  10  0.42  molprobity  1.000  
1176  1176  ?         -74.4   -10.9  Favored     5  129.760   5  0.31   7  0.43  molprobity  1.000  
1177  1177  t        -116.6   121.1  Favored     9  125.020   7  0.25  10  0.46  molprobity  1.000  
1178  1178  pt       -135.0   152.5  Favored    11  134.460   8  0.20  11  0.47  molprobity  1.000  
1179  1179  mt        -91.2   144.0  Favored    11  135.120   8  0.21  11  0.41  molprobity  1.000  
1180  1180  p         -76.4   176.0  Favored     5  149.000   6  0.18   8  0.49  molprobity  1.000  
1181  1181  tt        -61.6   -50.8  Favored    11  163.590   8  0.22  11  0.35  molprobity  1.000  
1182  1182  tt0       -64.4   -43.4  Favored     6  166.460   9  0.20  12  0.32  molprobity  1.000  
1183  1183  mt-30     -65.5   -47.1  Favored     8  149.300   9  0.39  12  0.52  molprobity  1.000  
1184  1184  ?         -60.7   -40.2  Favored     3  151.710   4  0.18   5  0.37  molprobity  1.000  
1185  1185  t30       -63.8   -37.6  Favored     6  171.280   8  0.21  11  0.29  molprobity  1.000  
1186  1186  mtp85     -58.2   -41.6  Favored    13  163.340  11  0.24  14  0.96  molprobity  1.000  
1187  1187  mt        -82.2    -9.6  Favored    11  147.780   8  0.19  11  0.56  molprobity  1.000  
1188  1188  ttp180    -62.6   -41.5  Favored    13  166.360  11  0.20  14  1.03  molprobity  1.000  
1189  1189  pt-20     -56.9   -38.5  Favored     6  187.100   9  0.22  12  0.25  molprobity  1.000  
1190  1190  mt-30     -86.5   -54.2  Favored     8  188.470   9  0.21  12  0.33  molprobity  1.000  
1191  1191  m-85     -115.0    89.5  Favored     9  179.430  13  0.24  18  0.34  molprobity  1.000  
1192  1192  ?        -146.1   125.2  Favored     3  164.850   4  0.28   5  0.16  molprobity  1.000  
1193  1193  mt            ?       ?  ?          11  157.800   7  0.19   8  0.37  molprobity  1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1     3  O      1  0.45  2.16  
  2     3  HA     2  0.43  2.00  
  3     6  HD13   2  0.43  2.00  
  4     6  HD12   3  0.40  2.36  
  5     6  N      3  0.40  2.36  
  6     8  HG12   4  0.51  1.92  
  7     8  HG12   5  0.47  1.97  
  8     9  HG12   6  0.46  1.96  
  9    18  HB3    6  0.46  1.96  
 10    23  HG21   1  0.45  2.16  
 11    27  HG12   7  0.41  1.86  
 12    28  H      7  0.41  1.86  
 13    51  HD12   4  0.51  1.92  
 14    51  HA     5  0.47  1.97  
 15    53  HB3    8  0.41  2.02  
 16    54  HD3    8  0.41  2.02  
 17    57  HD21   9  0.65  1.77  
 18    59  HG21  10  0.44  2.00  
 19    61  HG12  11  0.45  1.98  
 20    75  HG22  12  0.49  2.42  
 21    80  HB2   13  0.46  1.97  
 22    80  O     14  0.40  2.21  
 23    89  CD1   12  0.49  2.42  
 24   105  CD1   15  0.47  2.44  
 25   105  HD11  16  0.47  1.97  
 26   105  HD21  11  0.45  1.98  
 27   113  HD12  15  0.47  2.44  
 28   113  HD12  16  0.47  1.97  
 29   113  HD11  10  0.44  2.00  
 30   128  HG12  17  0.53  1.89  
 31   129  HB2   18  0.41  2.02  
 32   137  HB3   17  0.53  1.89  
 33   144  NH1   19  0.64  2.12  
 34   144  HH11  20  0.46  1.81  
 35   146  HG12  21  0.43  1.84  
 36   147  H     21  0.43  1.84  
 37   164  HD12  22  0.45  1.98  
 38   166  HE2   22  0.45  1.98  
 39   168  HA    18  0.41  2.02  
 40   172  HB3   23  0.43  1.99  
 41   173  HD3   23  0.43  1.99  
 42   176  HD21  24  0.55  1.88  
 43   177  OD2   25  0.42  2.19  
 44   178  HG21  26  0.49  1.93  
 45   194  HG22  27  0.43  2.49  
 46   199  HB2   28  0.61  1.83  
 47   208  CD1   27  0.43  2.49  
 48   232  HD11  26  0.49  1.93  
 49   246  HG12  29  0.54  1.89  
 50   246  HG12  30  0.44  1.98  
 51   247  HG12  31  0.45  1.99  
 52   256  HB3   31  0.45  1.99  
 53   265  HB    32  0.43  2.18  
 54   269  O     32  0.43  2.18  
 55   289  HD12  29  0.54  1.89  
 56   289  HA    30  0.44  1.98  
 57   291  HB3   33  0.46  1.97  
 58   292  HD3   33  0.46  1.97  
 59   297  HG21  34  0.44  1.99  
 60   304  SG    35  0.42  2.92  
 61   313  HG11  36  0.44  1.83  
 62   316  HE1   36  0.44  1.83  
 63   322  N     37  0.49  2.86  
 64   351  HD11  34  0.44  1.99  
 65   363  N     38  0.41  2.35  
 66   363  HD12  38  0.41  2.35  
 67   365  HG12  39  0.54  1.89  
 68   365  HG12  40  0.43  2.01  
 69   392  HD22  19  0.64  2.12  
 70   392  HD22  20  0.46  1.81  
 71   408  HA    39  0.54  1.89  
 72   408  HD12  40  0.43  2.01  
 73   410  HB3   41  0.44  2.00  
 74   411  HD3   41  0.44  2.00  
 75   414  HD21  42  0.60  1.83  
 76   416  HG21  43  0.42  2.02  
 77   418  HG12  44  0.43  2.00  
 78   423  SG    37  0.49  2.86  
 79   424  O     45  0.43  2.19  
 80   425  HB2   45  0.43  2.19  
 81   437  HD2   46  0.51  2.11  
 82   437  HB3   47  0.42  2.00  
 83   437  CB    48  0.41  2.49  
 84   441  N     35  0.42  2.92  
 85   462  HD21  44  0.43  2.00  
 86   470  HD11  43  0.42  2.02  
 87   484  HG12  49  0.53  1.91  
 88   484  HG12  50  0.48  1.96  
 89   485  HG12  51  0.41  2.03  
 90   494  HB3   51  0.41  2.03  
 91   527  HD12  49  0.53  1.91  
 92   527  HA    50  0.48  1.96  
 93   529  HB3   52  0.47  1.97  
 94   530  HD3   52  0.47  1.97  
 95   535  HG21  53  0.51  1.93  
 96   537  HG12  54  0.54  1.88  
 97   581  HD21  54  0.54  1.88  
 98   589  HD11  53  0.51  1.93  
 99   603  HG12  55  0.50  1.92  
100   603  HG12  56  0.44  2.00  
101   604  HG12  57  0.45  1.97  
102   613  HB3   57  0.45  1.97  
103   622  HG12  58  0.42  1.84  
104   623  H     58  0.42  1.84  
105   646  HA    55  0.50  1.92  
106   646  HD12  56  0.44  2.00  
107   646  HB2   59  0.40  2.03  
108   648  HB3   60  0.44  2.00  
109   649  HD3   60  0.44  2.00  
110   652  HD21  13  0.46  1.97  
111   654  HG21  61  0.60  1.83  
112   671  HE3   14  0.40  2.21  
113   675  HB2    9  0.65  1.77  
114   700  HD11  62  0.57  1.85  
115   708  HD11  61  0.60  1.83  
116   708  HD12  62  0.57  1.85  
117   714  HD21  59  0.40  2.03  
118   723  HG12  63  0.47  1.95  
119   723  HG12  64  0.46  1.97  
120   733  HB2   65  0.40  2.03  
121   742  HG12  66  0.41  1.85  
122   743  H     66  0.41  1.85  
123   766  HD12  63  0.47  1.95  
124   766  HA    64  0.46  1.97  
125   768  HB3   67  0.44  1.99  
126   769  HD3   67  0.44  1.99  
127   783  HG2   68  0.41  2.02  
128   790  HG22  69  0.40  2.52  
129   804  CD1   69  0.40  2.52  
130   806  HD2   68  0.41  2.02  
131   820  HB2   65  0.40  2.03  
132   838  O     70  0.45  2.15  
133   838  HA    71  0.42  2.01  
134   841  N     72  0.44  2.33  
135   841  HD12  72  0.44  2.33  
136   841  HD13  71  0.42  2.01  
137   843  HG12  73  0.42  2.01  
138   843  HG12  74  0.40  2.04  
139   858  HG21  70  0.45  2.15  
140   862  HG12  75  0.43  1.83  
141   863  H     75  0.43  1.83  
142   886  HA    73  0.42  2.01  
143   886  HD12  74  0.40  2.04  
144   888  HB3   76  0.44  1.98  
145   889  HD3   76  0.44  1.98  
146   892  HD21  47  0.42  2.00  
147   892  HD21  48  0.41  2.49  
148   893  OD2   46  0.51  2.11  
149   894  HG21  77  0.47  1.96  
150   910  HG22  78  0.45  2.46  
151   915  HB2   42  0.60  1.83  
152   924  CD1   78  0.45  2.46  
153   948  HD11  77  0.47  1.96  
154   958  O     79  0.42  2.19  
155   963  HG12  80  0.58  1.86  
156   963  HG12  81  0.47  1.97  
157   963  HG11  82  0.41  2.03  
158   964  HG12  83  0.50  1.94  
159   973  HB3   83  0.50  1.94  
160   978  HG21  79  0.42  2.19  
161   978  HD11  82  0.41  2.03  
162   982  HG12  84  0.41  1.85  
163   983  H     84  0.41  1.85  
164  1006  HA    80  0.58  1.86  
165  1006  HD12  81  0.47  1.97  
166  1008  HB3   85  0.46  1.98  
167  1009  HD3   85  0.46  1.98  
168  1012  HD21  28  0.61  1.83  
169  1014  HG21  86  0.43  1.99  
170  1016  HG12  87  0.51  1.93  
171  1030  HG22  88  0.45  2.46  
172  1035  HB2   24  0.55  1.88  
173  1035  HD2   25  0.42  2.19  
174  1044  CD1   88  0.45  2.46  
175  1060  HD21  87  0.51  1.93  
176  1068  HD11  86  0.43  1.99  
177  1082  HG12  89  0.51  1.93  
178  1082  HG12  90  0.47  1.95  
179  1082  CG1   91  0.40  2.51  
180  1083  HG12  92  0.44  1.98  
181  1092  HB3   92  0.44  1.98  
182  1101  HG12  93  0.42  1.85  
183  1102  H     93  0.42  1.85  
184  1125  HA    89  0.51  1.93  
185  1125  HD12  90  0.47  1.95  
186  1125  HD12  91  0.40  2.51  
187  1127  HB3   94  0.44  1.99  
188  1128  HD3   94  0.44  1.99  
189  1131  HD12  95  0.41  2.02  
190  1133  HG21  96  0.41  2.02  
191  1142  HG2   97  0.41  2.02  
192  1149  HG12  95  0.41  2.02  
193  1165  HD2   97  0.41  2.02  
194  1187  HD11  96  0.41  2.02  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
   1     1   8  0.813  0.210  -0.285  
   2     2   6  0.804  0.168  -0.546  
   3     3  11  0.883  0.368   0.195  
   4     4   7  0.918  0.269  -0.279  
   5     5   4  0.910  0.236  -0.009  
   6     6   8  0.965  0.340   0.040  
   7     7  11  0.890  0.299  -0.150  
   8     8   7  0.895  0.327   0.109  
   9     9   7  0.955  0.449   0.926  
  10    10   5  0.961  0.394   0.969  
  11    11   9  0.880  0.431   0.641  
  12    12  14  0.872  0.324   0.114  
  13    13   6  0.888  0.240   0.027  
  14    14   6  0.901  0.186  -0.403  
  15    15   8  0.885  0.238  -0.050  
  16    16   4  0.824  0.292   0.387  
  17    17  12  0.877  0.302  -0.100  
  18    18  11  0.941  0.409   0.469  
  19    19  12  0.852  0.344   0.196  
  20    20   6  0.901  0.316   0.632  
  21    21   4  0.811  0.229  -0.059  
  22    22   9  0.841  0.366   0.225  
  23    23   8  0.973  0.444   0.824  
  24    24   7  0.955  0.197  -0.440  
  25    25  11  0.848  0.326   0.027  
  26    26   8  0.894  0.277   0.247  
  27    27   7  0.868  0.490   1.201  
  28    28   4  0.891  0.311   0.522  
  29    29   5  0.907  0.278   0.146  
  30    30   4  0.911  0.259   0.154  
  31    31   9  0.829  0.580   1.595  
  32    32  12  0.888  0.458   1.001  
  33    33   9  0.860  0.444   0.724  
  34    34   8  0.953  0.637   2.038  
  35    35   8  0.920  0.379   0.303  
  36    36  11  0.941  0.491   1.016  
  37    37   8  0.936  0.213  -0.279  
  38    38   8  0.872  0.309   0.510  
  39    39   4  0.832  0.230  -0.052  
  40    40  12  0.891  0.355   0.274  
  41    41   9  0.873  0.340   0.344  
  42    42   6  0.931  0.265   0.251  
  43    43   8  0.917  0.257   0.083  
  44    44   7  0.964  0.435   0.833  
  45    45   8  0.920  0.485   1.015  
  46    46   4  0.922  0.134  -0.731  
  47    47   9  0.935  0.424   0.596  
  48    48   8  0.901  0.274   0.223  
  49    49   8  0.951  0.436   0.769  
  50    50   8  0.947  0.629   1.984  
  51    51   8  0.942  0.593   1.742  
  52    52   6  0.816  0.477   1.966  
  53    53   8  0.835  0.373   1.036  
  54    54   7  0.918  0.328   0.528  
  55    55   8  0.954  0.302  -0.152  
  56    56   7  0.890  0.367   0.828  
  57    57   8  0.827  0.418   0.565  
  58    58   8  0.780  0.362   0.946  
  59    59   7  0.963  0.326   0.615  
  60    60   9  0.789  0.513   1.574  
  61    61   7  0.960  0.412   0.678  
  62    62   7  0.929  0.246  -0.039  
  63    63   5  0.971  0.411   1.090  
  64    64   8  0.945  0.459   0.841  
  65    65   6  0.799  0.281   0.354  
  66    66   6  0.890  0.180  -0.437  
  67    67   8  0.680  0.230  -0.139  
  68    68   9  0.656  0.382   0.642  
  69    69  12  0.764  0.343   0.189  
  70    70  11  0.873  0.324  -0.098  
  71    71   6  0.957  0.250   0.107  
  72    72   5  0.920  0.340   0.586  
  73    73   4  0.911  0.318   0.571  
  74    74   7  0.918  0.531   1.476  
  75    75   7  0.911  0.572   1.750  
  76    76   9  0.647  0.721   2.497  
  77    77   4  0.935  0.288   0.359  
  78    78  10  0.883  0.269   0.004  
  79    79  11  0.772  0.369   0.309  
  80    80   9  0.822  0.381   0.321  
  81    81   9  0.901  0.183  -0.773  
  82    82   6  0.926  0.189  -0.379  
  83    83   4  0.923  0.163  -0.526  
  84    84   6  0.839  0.155  -0.639  
  85    85   8  0.940  0.406   0.484  
  86    86  12  0.850  0.342   0.182  
  87    87  12  0.925  0.430   0.804  
  88    88   6  0.836  0.264   0.218  
  89    89   8  0.967  0.656   2.281  
  90    90   9  0.795  0.542   1.780  
  91    91   9  0.816  0.653   2.062  
  92    92   9  0.741  0.466   1.240  
  93    93   4  0.837  0.222  -0.108  
  94    94   9  0.809  0.302   0.171  
  95    95  11  0.710  0.312  -0.065  
  96    96   9  0.733  0.429   0.628  
  97    97  14  0.654  0.375   0.488  
  98    98  12  0.812  0.544   1.609  
  99    99   9  0.810  0.402   0.455  
 100   100  11  0.850  0.294  -0.183  
 101   101   8  0.939  0.268  -0.192  
 102   102   5  0.951  0.227  -0.216  
 103   103   7  0.912  0.410   0.665  
 104   104   8  0.957  0.464   0.962  
 105   105   8  0.948  0.485   1.015  
 106   106   6  0.903  0.221  -0.124  
 107   107   8  0.919  0.304  -0.202  
 108   108   9  0.799  0.226  -0.467  
 109   109   9  0.890  0.331   0.391  
 110   110   4  0.956  0.382   1.024  
 111   111   8  0.865  0.274   0.253  
 112   112  11  0.875  0.281  -0.268  
 113   113   8  0.945  0.425   0.612  
 114   114  11  0.813  0.375   0.348  
 115   115   9  0.847  0.243  -0.346  
 116   116   9  0.881  0.211  -0.522  
 117   117  12  0.885  0.418   0.719  
 118   118   4  0.873  0.162  -0.533  
 119   119   8  0.814  0.442   0.726  
 120   120   4  0.496  0.346   0.859  
 121   121   6  0.793  0.271   0.274  
 122   122  11  0.851  0.503   1.096  
 123   123   7  0.923  0.256  -0.366  
 124   124   4  0.892  0.276   0.274  
 125   125   8  0.897  0.422   0.592  
 126   126  11  0.857  0.330   0.053  
 127   127   7  0.844  0.393   0.551  
 128   128   7  0.907  0.390   0.531  
 129   129   5  0.944  0.315   0.409  
 130   130   9  0.810  0.467   0.871  
 131   131  14  0.875  0.352   0.319  
 132   132   6  0.862  0.199  -0.299  
 133   133   6  0.905  0.249   0.099  
 134   134   8  0.807  0.316   0.606  
 135   135   4  0.850  0.259   0.154  
 136   136  12  0.882  0.414   0.691  
 137   137  11  0.944  0.649   2.070  
 138   138  12  0.873  0.267  -0.347  
 139   139   6  0.963  0.211  -0.204  
 140   140   4  0.881  0.252   0.104  
 141   141   9  0.837  0.473   0.910  
 142   142   8  0.944  0.515   1.312  
 143   143   7  0.898  0.292   0.337  
 144   144  11  0.932  0.266  -0.367  
 145   145   8  0.844  0.211  -0.295  
 146   146   7  0.919  0.183  -0.855  
 147   147   4  0.924  0.178  -0.420  
 148   148   5  0.933  0.219  -0.273  
 149   149   4  0.884  0.357   0.847  
 150   150   9  0.793  0.456   0.801  
 151   151  12  0.839  0.453   0.966  
 152   152   9  0.804  0.272  -0.377  
 153   153   8  0.945  0.599   1.782  
 154   154   8  0.960  0.289  -0.303  
 155   155  11  0.959  0.370   0.209  
 156   156   8  0.938  0.254   0.058  
 157   157   8  0.908  0.304   0.469  
 158   158   4  0.941  0.197  -0.285  
 159   159  12  0.862  0.303  -0.093  
 160   160   9  0.850  0.295   0.023  
 161   161   6  0.894  0.338   0.841  
 162   162   8  0.894  0.216  -0.254  
 163   163   7  0.945  0.505   1.301  
 164   164   8  0.925  0.377   0.289  
 165   165   4  0.962  0.336   0.699  
 166   166   9  0.902  0.576   1.569  
 167   167   8  0.906  0.308   0.502  
 168   168   8  0.987  0.518   1.333  
 169   169   8  0.938  0.508   1.170  
 170   170   8  0.905  0.417   0.558  
 171   171   6  0.889  0.287   0.429  
 172   172   8  0.795  0.353   0.872  
 173   173   7  0.895  0.282   0.175  
 174   174   8  0.956  0.281  -0.296  
 175   175   7  0.917  0.323   0.490  
 176   176   8  0.867  0.363   0.195  
 177   177   8  0.833  0.297   0.412  
 178   178   7  0.964  0.232  -0.154  
 179   179   9  0.868  0.269  -0.161  
 180   180   7  0.978  0.360   0.330  
 181   181   7  0.958  0.303   0.427  
 182   182   5  0.896  0.361   0.735  
 183   183   8  0.778  0.581   1.661  
 184   184   6  0.803  0.202  -0.275  
 185   185   6  0.870  0.164  -0.566  
 186   186   8  0.889  0.242  -0.040  
 187   187   9  0.848  0.248  -0.311  
 188   188  12  0.604  0.459   1.008  
 189   189  11  0.788  0.457   0.789  
 190   190   6  0.911  0.261   0.194  
 191   191   5  0.970  0.244  -0.095  
 192   192   4  0.934  0.468   1.633  
 193   193   7  0.929  0.574   1.764  
 194   194   7  0.976  0.489   1.194  
 195   195   9  0.705  0.647   2.024  
 196   196   4  0.956  0.273   0.253  
 197   197  10  0.911  0.305   0.294  
 198   198  11  0.859  0.336   0.092  
 199   199   9  0.793  0.364   0.212  
 200   200   9  0.841  0.196  -0.681  
 201   201   6  0.932  0.142  -0.753  
 202   202   4  0.906  0.185  -0.370  
 203   203   6  0.923  0.148  -0.696  
 204   204   8  0.895  0.358   0.161  
 205   205  12  0.785  0.353   0.260  
 206   206  12  0.916  0.548   1.637  
 207   207   6  0.821  0.375   1.102  
 208   208   8  0.970  0.678   2.432  
 209   209   9  0.798  0.560   1.908  
 210   210   9  0.789  0.802   3.016  
 211   211   9  0.818  0.627   2.385  
 212   212   4  0.802  0.200  -0.264  
 213   213   9  0.765  0.508   1.740  
 214   214  11  0.763  0.403   0.532  
 215   215   9  0.803  0.345   0.090  
 216   216  14  0.806  0.358   0.363  
 217   217  12  0.867  0.402   0.606  
 218   218   9  0.892  0.289  -0.268  
 219   219  11  0.818  0.359   0.243  
 220   220   8  0.900  0.305   0.072  
 221   221   5  0.942  0.256  -0.010  
 222   222   7  0.960  0.347   0.243  
 223   223   8  0.956  0.539   1.477  
 224   224   8  0.934  0.551   1.459  
 225   225   6  0.932  0.264   0.218  
 226   226   8  0.915  0.270  -0.430  
 227   227   9  0.898  0.254  -0.268  
 228   228   9  0.939  0.250  -0.225  
 229   229   4  0.987  0.426   1.335  
 230   230   8  0.869  0.352   0.909  
 231   231  11  0.829  0.232  -0.590  
 232   232   8  0.949  0.283  -0.343  
 233   233  11  0.894  0.393   0.466  
 234   234   9  0.875  0.258  -0.240  
 235   235   9  0.917  0.244  -0.271  
 236   236  12  0.882  0.353   0.260  
 237   237   4  0.868  0.145  -0.653  
 238   238   8  0.841  0.480   0.982  
 239   239   4  0.836  0.297   0.447  
 240   240   6  0.762  0.256   0.154  
 241   241  11  0.817  0.534   1.303  
 242   242   7  0.764  0.419   0.725  
 243   243   4  0.918  0.340   0.727  
 244   244   8  0.899  0.647   2.105  
 245   245  11  0.796  0.406   0.551  
 246   246   7  0.928  0.275  -0.239  
 247   247   7  0.939  0.341   0.203  
 248   248   5  0.961  0.434   1.253  
 249   249   9  0.896  0.453   0.782  
 250   250  14  0.891  0.318   0.070  
 251   251   6  0.884  0.184  -0.419  
 252   252   6  0.902  0.210  -0.212  
 253   253   8  0.902  0.210  -0.285  
 254   254   4  0.866  0.217  -0.144  
 255   255  12  0.876  0.258  -0.411  
 256   256  11  0.909  0.481   0.949  
 257   257  12  0.858  0.314  -0.016  
 258   258   6  0.931  0.296   0.473  
 259   259   4  0.884  0.179  -0.413  
 260   260   9  0.763  0.583   1.614  
 261   261   8  0.935  0.435   0.762  
 262   262   7  0.868  0.378   1.041  
 263   263  11  0.766  0.370   0.315  
 264   264   8  0.869  0.347   0.823  
 265   265   7  0.907  0.296  -0.098  
 266   266   4  0.937  0.203  -0.243  
 267   267   5  0.926  0.168  -0.634  
 268   268   4  0.833  0.228  -0.066  
 269   269   9  0.792  0.332   0.007  
 270   270  12  0.794  0.510   1.369  
 271   271   9  0.858  0.452   0.775  
 272   272   8  0.932  0.623   1.944  
 273   273   8  0.883  0.428   0.632  
 274   274  11  0.927  0.387   0.322  
 275   275   8  0.933  0.242  -0.040  
 276   276   8  0.856  0.288   0.338  
 277   277   4  0.870  0.251   0.097  
 278   278  12  0.872  0.338   0.154  
 279   279   9  0.835  0.371   0.564  
 280   280   6  0.916  0.466   1.877  
 281   281   8  0.858  0.313   0.543  
 282   282   7  0.956  0.676   2.447  
 283   283   8  0.915  0.486   1.022  
 284   284   4  0.933  0.222  -0.108  
 285   285   9  0.883  0.495   1.051  
 286   286   8  0.867  0.491   2.006  
 287   287   8  0.967  0.560   1.621  
 288   288   8  0.940  0.688   2.381  
 289   289   8  0.816  0.461   0.854  
 290   290   6  0.855  0.286   0.421  
 291   291   8  0.849  0.335   0.724  
 292   292   7  0.929  0.288   0.221  
 293   293   8  0.947  0.372   0.329  
 294   294   7  0.906  0.340   0.621  
 295   295   8  0.865  0.387   0.356  
 296   296   8  0.797  0.438   1.570  
 297   297   7  0.947  0.362   0.910  
 298   298   9  0.859  0.335   0.308  
 299   299   7  0.974  0.443   0.886  
 300   300   7  0.967  0.324   0.599  
 301   301   5  0.940  0.444   1.324  
 302   302   8  0.905  0.406   0.484  
 303   303   6  0.843  0.216  -0.164  
 304   304   6  0.894  0.190  -0.356  
 305   305   8  0.846  0.295   0.395  
 306   306   9  0.745  0.381   0.635  
 307   307  12  0.709  0.354   0.267  
 308   308  11  0.798  0.346   0.049  
 309   309   6  0.892  0.389   1.213  
 310   310   5  0.918  0.366   0.771  
 311   311   4  0.914  0.283   0.323  
 312   312   7  0.913  0.451   0.940  
 313   313   7  0.984  0.457   0.980  
 314   314   9  0.833  0.412   0.519  
 315   315   4  0.943  0.320   0.585  
 316   316  10  0.916  0.278   0.076  
 317   317  11  0.828  0.314  -0.052  
 318   318   9  0.748  0.420   0.570  
 319   319   9  0.901  0.155  -0.972  
 320   320   6  0.904  0.191  -0.363  
 321   321   4  0.940  0.109  -0.908  
 322   322   6  0.902  0.142  -0.744  
 323   323   8  0.894  0.363   0.195  
 324   324  12  0.877  0.367   0.359  
 325   325  12  0.903  0.482   1.171  
 326   326   6  0.843  0.384   1.174  
 327   327   8  0.978  0.635   2.137  
 328   328   9  0.874  0.608   2.250  
 329   329   9  0.876  0.556   1.441  
 330   330   9  0.710  0.516   1.595  
 331   331   4  0.851  0.179  -0.413  
 332   332   9  0.840  0.323   0.331  
 333   333  11  0.815  0.332   0.066  
 334   334   9  0.716  0.558   1.454  
 335   335  14  0.782  0.277  -0.230  
 336   336  12  0.841  0.489   1.220  
 337   337   9  0.796  0.375   0.282  
 338   338  11  0.840  0.351   0.191  
 339   339   8  0.933  0.261  -0.242  
 340   340   5  0.945  0.269   0.082  
 341   341   7  0.950  0.434   0.826  
 342   342   8  0.953  0.337   0.089  
 343   343   8  0.949  0.547   1.432  
 344   344   6  0.881  0.162  -0.594  
 345   345   8  0.941  0.383   0.330  
 346   346   9  0.816  0.308   0.116  
 347   347   9  0.897  0.256  -0.180  
 348   348   4  0.972  0.629   2.772  
 349   349   8  0.837  0.410   1.397  
 350   350  11  0.702  0.403   0.532  
 351   351   8  0.922  0.286  -0.323  
 352   352  11  0.731  0.491   1.109  
 353   353   9  0.859  0.327   0.251  
 354   354   9  0.853  0.282   0.018  
 355   355  12  0.854  0.385   0.486  
 356   356   4  0.863  0.170  -0.476  
 357   357   8  0.832  0.686   2.367  
 358   358   4  0.665  0.247   0.026  
 359   359   6  0.911  0.152  -0.674  
 360   360  11  0.874  0.279  -0.398  
 361   361   7  0.807  0.308  -0.018  
 362   362   4  0.840  0.284   0.331  
 363   363   8  0.844  0.415   0.545  
 364   364  11  0.850  0.281  -0.268  
 365   365   7  0.883  0.422   0.745  
 366   366   7  0.922  0.467   1.047  
 367   367   5  0.964  0.324   0.473  
 368   368   9  0.799  0.457   0.807  
 369   369  14  0.877  0.283  -0.186  
 370   370   6  0.899  0.183  -0.427  
 371   371   6  0.843  0.203  -0.268  
 372   372   8  0.799  0.312   0.573  
 373   373   4  0.830  0.199  -0.271  
 374   374  12  0.828  0.336   0.140  
 375   375  11  0.913  0.977   4.258  
 376   376  12  0.860  0.353   0.260  
 377   377   6  0.946  0.266   0.234  
 378   378   4  0.854  0.279   0.295  
 379   379   9  0.841  0.439   0.692  
 380   380   8  0.915  0.429   0.721  
 381   381   7  0.926  0.244  -0.056  
 382   382  11  0.812  0.361   0.256  
 383   383   8  0.414  0.396   1.225  
 384   384   7  0.651  0.631   2.145  
 385   385   4  0.751  0.447   1.484  
 386   386   5  0.756  0.616   2.545  
 387   387   4  0.577  0.627   2.758  
 388   388   9  0.636  0.736   2.593  
 389   389  12  0.881  0.611   2.082  
 390   390   9  0.815  0.359   0.180  
 391   391   8  0.934  0.565   1.553  
 392   392   8  0.942  0.305  -0.195  
 393   393  11  0.942  0.386   0.316  
 394   394   8  0.926  0.269   0.182  
 395   395   8  0.909  0.297   0.412  
 396   396   4  0.899  0.232  -0.038  
 397   397  12  0.856  0.425   0.768  
 398   398   9  0.836  0.325   0.237  
 399   399   6  0.898  0.289   0.445  
 400   400   8  0.796  0.210  -0.303  
 401   401   7  0.917  0.641   2.212  
 402   402   8  0.908  0.372   0.256  
 403   403   4  0.881  0.329   0.649  
 404   404   9  0.860  0.507   1.127  
 405   405   8  0.912  0.341   0.773  
 406   406   8  0.958  0.642   2.185  
 407   407   8  0.971  0.563   1.540  
 408   408   8  0.918  0.457   0.827  
 409   409   6  0.951  0.227  -0.057  
 410   410   8  0.901  0.255   0.067  
 411   411   7  0.859  0.302   0.329  
 412   412   8  0.942  0.328   0.027  
 413   413   7  0.927  0.304   0.344  
 414   414   8  0.893  0.363   0.195  
 415   415   8  0.818  0.363   0.954  
 416   416   7  0.923  0.211  -0.326  
 417   417   9  0.835  0.316   0.173  
 418   418   7  0.964  0.310  -0.005  
 419   419   7  0.960  0.339   0.722  
 420   420   5  0.895  0.349   0.650  
 421   421   8  0.932  0.598   1.775  
 422   422   6  0.841  0.276   0.314  
 423   423   6  0.617  0.264   0.243  
 424   424   8  0.694  0.703   3.748  
 425   425   9  0.696  0.642   2.491  
 426   426  12  0.538  0.458   1.001  
 427   427  11  0.699  0.491   1.016  
 428   428   6  0.808  0.441   1.627  
 429   429   5  0.945  0.304   0.331  
 430   430   4  0.935  0.396   1.123  
 431   431   7  0.908  0.529   1.462  
 432   432   7  0.965  0.379   0.457  
 433   433   9  0.731  0.517   1.191  
 434   434   4  0.970  0.355   0.833  
 435   435  10  0.913  0.330   0.495  
 436   436  11  0.849  0.347   0.165  
 437   437   9  0.533  0.569   1.524  
 438   438   9  0.854  0.250  -0.297  
 439   439   6  0.895  0.243   0.051  
 440   440   4  0.946  0.226  -0.080  
 441   441   6  0.911  0.225  -0.073  
 442   442   8  0.955  0.381   0.316  
 443   443  12  0.908  0.364   0.338  
 444   444  12  0.937  0.444   0.903  
 445   445   6  0.875  0.344   0.855  
 446   446   8  0.969  0.592   1.841  
 447   447   9  0.807  0.417   0.891  
 448   448   9  0.863  0.536   1.313  
 449   449   9  0.822  0.417   0.891  
 450   450   4  0.819  0.146  -0.646  
 451   451   9  0.816  0.339   0.452  
 452   452  11  0.803  0.393   0.466  
 453   453   9  0.770  0.415   0.538  
 454   454  14  0.880  0.277  -0.230  
 455   455  12  0.908  0.378   0.436  
 456   456   9  0.835  0.357   0.167  
 457   457  11  0.869  0.359   0.243  
 458   458   8  0.921  0.296   0.008  
 459   459   5  0.962  0.287   0.210  
 460   460   7  0.946  0.377   0.444  
 461   461   8  0.962  0.422   0.673  
 462   462   8  0.966  0.539   1.379  
 463   463   6  0.962  0.186  -0.403  
 464   464   8  0.911  0.421   0.585  
 465   465   9  0.857  0.338   0.329  
 466   466   9  0.943  0.244  -0.271  
 467   467   4  0.977  0.397   1.130  
 468   468   8  0.931  0.433   1.590  
 469   469  11  0.840  0.336   0.092  
 470   470   8  0.922  0.412   0.525  
 471   471  11  0.856  0.672   2.296  
 472   472   9  0.760  0.529   1.688  
 473   473   9  0.690  0.355   0.574  
 474   474  12  0.848  0.211  -0.743  
 475   475   4  0.951  0.141  -0.682  
 476   476   8  0.780  0.677   2.307  
 477   477   8  0.613  0.289   0.379  
 478   478   6  0.788  0.281   0.354  
 479   479  11  0.794  0.356   0.115  
 480   480   7  0.850  0.386   0.504  
 481   481   4  0.782  0.333   0.677  
 482   482   8  0.872  0.487   1.029  
 483   483  11  0.843  0.286  -0.235  
 484   484   7  0.940  0.396   0.571  
 485   485   7  0.934  0.336   0.169  
 486   486   5  0.974  0.315   0.409  
 487   487   9  0.813  0.336   0.033  
 488   488  14  0.795  0.449   1.030  
 489   489   6  0.814  0.230  -0.053  
 490   490   6  0.872  0.243   0.051  
 491   491   8  0.848  0.344   0.842  
 492   492   4  0.825  0.297   0.423  
 493   493  12  0.819  0.313  -0.023  
 494   494  11  0.937  0.481   0.949  
 495   495  12  0.883  0.384   0.479  
 496   496   6  0.962  0.235  -0.013  
 497   497   4  0.930  0.207  -0.214  
 498   498   9  0.849  0.416   0.545  
 499   499   8  0.927  0.502   1.223  
 500   500   7  0.842  0.258   0.059  
 501   501  11  0.860  0.278  -0.288  
 502   502   8  0.551  0.383   1.118  
 503   503   7  0.569  0.500   1.268  
 504   504   4  0.903  0.361   0.875  
 505   505   5  0.892  0.472   1.523  
 506   506   4  0.776  0.400   1.151  
 507   507   9  0.787  0.616   1.825  
 508   508  12  0.877  0.678   2.555  
 509   509   9  0.602  0.413   0.526  
 510   510   8  0.924  0.723   2.616  
 511   511   8  0.867  0.451   0.787  
 512   512  11  0.935  0.550   1.410  
 513   513   8  0.869  0.320   0.601  
 514   514   8  0.884  0.294   0.387  
 515   515   4  0.815  0.241   0.026  
 516   516  12  0.811  0.458   1.001  
 517   517   9  0.756  0.373   0.578  
 518   518   6  0.849  0.405   1.383  
 519   519   8  0.806  0.276   0.239  
 520   520   7  0.899  0.613   2.025  
 521   521   8  0.891  0.466   0.888  
 522   522   4  0.957  0.407   1.201  
 523   523   9  0.892  0.646   2.017  
 524   524   8  0.887  0.322   0.617  
 525   525   8  0.963  0.673   2.398  
 526   526   8  0.936  0.501   1.123  
 527   527   8  0.958  0.371   0.249  
 528   528   6  0.907  0.277   0.348  
 529   529   8  0.826  0.344   0.798  
 530   530   7  0.960  0.285   0.198  
 531   531   8  0.953  0.352   0.192  
 532   532   7  0.928  0.305   0.352  
 533   533   8  0.820  0.350   0.108  
 534   534   8  0.784  0.277   0.247  
 535   535   7  0.961  0.217  -0.277  
 536   536   9  0.831  0.261  -0.218  
 537   537   7  0.973  0.264  -0.313  
 538   538   7  0.950  0.312   0.501  
 539   539   5  0.868  0.525   1.899  
 540   540   8  0.867  0.595   1.755  
 541   541   6  0.840  0.217  -0.156  
 542   542   6  0.723  0.226  -0.065  
 543   543   8  0.730  0.334   0.716  
 544   544   9  0.768  0.419   0.905  
 545   545  12  0.588  0.616   2.117  
 546   546  11  0.681  0.484   0.969  
 547   547   6  0.897  0.366   1.030  
 548   548   5  0.938  0.189  -0.485  
 549   549   4  0.918  0.273   0.253  
 550   550   7  0.940  0.395   0.565  
 551   551   7  0.978  0.369   0.390  
 552   552   9  0.881  0.426   0.609  
 553   553   4  0.967  0.272   0.246  
 554   554  10  0.928  0.276   0.060  
 555   555  11  0.795  0.267  -0.360  
 556   556   9  0.781  0.437   0.679  
 557   557   9  0.902  0.209  -0.588  
 558   558   6  0.920  0.180  -0.451  
 559   559   4  0.878  0.229  -0.059  
 560   560   6  0.882  0.179  -0.445  
 561   561   8  0.934  0.457   0.827  
 562   562  12  0.765  0.366   0.352  
 563   563  12  0.884  0.656   2.400  
 564   564   6  0.874  0.282   0.361  
 565   565   8  0.973  0.509   1.271  
 566   566   9  0.841  0.518   1.610  
 567   567   9  0.840  0.547   1.383  
 568   568   9  0.823  0.383   0.649  
 569   569   4  0.881  0.192  -0.321  
 570   570   9  0.794  0.425   1.107  
 571   571  11  0.742  0.376   0.355  
 572   572   9  0.796  0.543   1.358  
 573   573  14  0.841  0.337   0.210  
 574   574  12  0.909  0.414   0.691  
 575   575   9  0.895  0.347   0.103  
 576   576  11  0.874  0.301  -0.137  
 577   577   8  0.956  0.308   0.093  
 578   578   5  0.967  0.316   0.416  
 579   579   7  0.941  0.399   0.591  
 580   580   8  0.941  0.412   0.604  
 581   581   8  0.969  0.483   1.002  
 582   582   6  0.895  0.183  -0.427  
 583   583   8  0.890  0.215  -0.800  
 584   584   9  0.895  0.221  -0.503  
 585   585   9  0.903  0.245  -0.264  
 586   586   4  0.945  0.719   3.409  
 587   587   8  0.852  0.374   1.094  
 588   588  11  0.862  0.229  -0.609  
 589   589   8  0.955  0.355   0.141  
 590   590  11  0.755  0.491   1.109  
 591   591   9  0.816  0.406   0.813  
 592   592   9  0.820  0.263  -0.126  
 593   593  12  0.790  0.260  -0.397  
 594   594   4  0.783  0.193  -0.314  
 595   595   8  0.859  0.726   2.636  
 596   596   8  0.834  0.286   0.354  
 597   597   6  0.810  0.386   1.189  
 598   598  11  0.819  0.517   1.189  
 599   599   7  0.804  0.325   0.096  
 600   600   4  0.915  0.351   0.805  
 601   601   8  0.888  0.520   1.251  
 602   602  11  0.697  0.317  -0.032  
 603   603   7  0.916  0.350   0.263  
 604   604   7  0.910  0.399   0.591  
 605   605   5  0.935  0.479   1.573  
 606   606   9  0.852  0.682   2.248  
 607   607  14  0.869  0.375   0.488  
 608   608   6  0.885  0.208  -0.228  
 609   609   6  0.907  0.196  -0.323  
 610   610   8  0.799  0.259   0.127  
 611   611   4  0.851  0.189  -0.342  
 612   612  12  0.872  0.305  -0.079  
 613   613  11  0.897  0.627   1.923  
 614   614  12  0.833  0.454   0.973  
 615   615   6  0.907  0.263   0.210  
 616   616   4  0.892  0.169  -0.483  
 617   617   9  0.691  0.618   1.838  
 618   618   8  0.939  0.715   2.687  
 619   619   7  0.921  0.548   2.432  
 620   620  11  0.803  0.532   1.378  
 621   621   8  0.560  0.461   1.759  
 622   622   7  0.657  0.449   0.926  
 623   623   4  0.484  0.374   0.967  
 624   624   5  0.596  0.690   3.070  
 625   625   4  0.703  0.839   4.258  
 626   626   9  0.703  0.737   2.600  
 627   627  12  0.830  0.719   2.845  
 628   628   9  0.799  0.443   0.718  
 629   629   8  0.858  0.795   3.100  
 630   630   8  0.903  0.262  -0.484  
 631   631  11  0.928  0.400   0.409  
 632   632   8  0.859  0.292   0.371  
 633   633   8  0.842  0.359   0.921  
 634   634   4  0.912  0.228  -0.066  
 635   635  12  0.800  0.425   0.768  
 636   636   9  0.764  0.336   0.315  
 637   637   6  0.805  0.286   0.421  
 638   638   8  0.782  0.376   1.061  
 639   639   7  0.931  0.654   2.299  
 640   640   8  0.869  0.418   0.565  
 641   641   4  0.914  0.332   0.670  
 642   642   9  0.870  0.381   0.321  
 643   643   8  0.876  0.616   3.033  
 644   644   8  0.916  0.584   1.786  
 645   645   8  0.893  0.533   1.338  
 646   646   8  0.884  0.402   0.457  
 647   647   6  0.851  0.278   0.356  
 648   648   8  0.831  0.301   0.445  
 649   649   7  0.915  0.314   0.421  
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 651   651   7  0.920  0.310   0.390  
 652   652   8  0.825  0.378   0.296  
 653   653   8  0.855  0.284   0.305  
 654   654   7  0.948  0.180  -0.579  
 655   655   9  0.903  0.224  -0.482  
 656   656   7  0.964  0.280  -0.206  
 657   657   7  0.942  0.293   0.345  
 658   658   5  0.865  0.424   1.182  
 659   659   8  0.811  0.571   1.594  
 660   660   6  0.768  0.303   0.529  
 661   661   6  0.916  0.158  -0.615  
 662   662   8  0.854  0.180  -0.550  
 663   663   9  0.786  0.351   0.422  
 664   664  12  0.825  0.324   0.055  
 665   665  11  0.811  0.351   0.082  
 666   666   6  0.882  0.368   1.046  
 667   667   5  0.932  0.249  -0.060  
 668   668   4  0.934  0.301   0.451  
 669   669   7  0.940  0.434   0.826  
 670   670   7  0.979  0.455   0.967  
 671   671   9  0.846  0.582   1.608  
 672   672   4  0.953  0.250   0.090  
 673   673  10  0.941  0.256  -0.101  
 674   674  11  0.830  0.330   0.053  
 675   675   9  0.795  0.445   0.730  
 676   676   9  0.860  0.214  -0.553  
 677   677   6  0.923  0.163  -0.586  
 678   678   4  0.918  0.233  -0.030  
 679   679   6  0.794  0.224  -0.081  
 680   680   8  0.902  0.374   0.269  
 681   681  12  0.933  0.341   0.175  
 682   682  12  0.911  0.480   1.157  
 683   683   6  0.879  0.235  -0.013  
 684   684   8  0.967  0.504   1.236  
 685   685   9  0.739  0.591   2.129  
 686   686   9  0.887  0.582   1.608  
 687   687   9  0.814  0.383   0.649  
 688   688   4  0.858  0.211  -0.186  
 689   689   9  0.895  0.381   0.772  
 690   690  11  0.747  0.341   0.125  
 691   691   9  0.819  0.388   0.366  
 692   692  14  0.850  0.242  -0.486  
 693   693  12  0.845  0.479   1.150  
 694   694   9  0.835  0.395   0.410  
 695   695  11  0.863  0.308  -0.091  
 696   696   8  0.944  0.289  -0.042  
 697   697   5  0.957  0.350   0.657  
 698   698   7  0.932  0.418   0.719  
 699   699   8  0.964  0.313  -0.076  
 700   700   8  0.958  0.432   0.659  
 701   701   6  0.859  0.221  -0.124  
 702   702   8  0.920  0.333  -0.007  
 703   703   9  0.810  0.350   0.415  
 704   704   9  0.806  0.261  -0.142  
 705   705   4  0.924  0.682   3.147  
 706   706   8  0.874  0.364   1.010  
 707   707  11  0.884  0.267  -0.360  
 708   708   8  0.964  0.499   1.110  
 709   709  11  0.664  0.530   1.365  
 710   710   9  0.775  0.509   1.546  
 711   711   9  0.794  0.266  -0.104  
 712   712  12  0.791  0.281  -0.249  
 713   713   4  0.860  0.113  -0.880  
 714   714   8  0.830  0.543   1.406  
 715   715   4  0.622  0.558   2.270  
 716   716   8  0.404  0.345   0.850  
 717   717   6  0.919  0.123  -0.904  
 718   718  11  0.877  0.550   1.410  
 719   719   7  0.891  0.321   0.069  
 720   720   4  0.938  0.187  -0.356  
 721   721   8  0.914  0.453   0.800  
 722   722  11  0.852  0.320  -0.012  
 723   723   7  0.881  0.405   0.632  
 724   724   7  0.925  0.457   0.980  
 725   725   5  0.963  0.438   1.282  
 726   726   9  0.859  0.521   1.217  
 727   727  14  0.839  0.445   1.001  
 728   728   6  0.905  0.220  -0.132  
 729   729   6  0.852  0.262   0.202  
 730   730   8  0.914  0.287   0.362  
 731   731   4  0.870  0.322   0.599  
 732   732  12  0.900  0.411   0.669  
 733   733  11  0.951  0.669   2.203  
 734   734  12  0.917  0.358   0.295  
 735   735   6  0.841  0.353   0.927  
 736   736   4  0.763  0.276   0.274  
 737   737   9  0.882  0.443   0.718  
 738   738   8  0.966  0.447   0.845  
 739   739   7  0.950  0.186  -0.530  
 740   740  11  0.844  0.377   0.361  
 741   741   8  0.638  0.417   1.398  
 742   742   7  0.872  0.307  -0.025  
 743   743   4  0.919  0.190  -0.335  
 744   744   5  0.886  0.191  -0.471  
 745   745   4  0.791  0.221  -0.115  
 746   746   9  0.833  0.383   0.334  
 747   747  12  0.885  0.437   0.853  
 748   748   9  0.862  0.311  -0.127  
 749   749   8  0.931  0.616   1.896  
 750   750   8  0.943  0.338   0.027  
 751   751  11  0.949  0.584   1.636  
 752   752   8  0.911  0.253   0.050  
 753   753   8  0.926  0.342   0.781  
 754   754   4  0.916  0.241   0.026  
 755   755  12  0.831  0.368   0.366  
 756   756   9  0.857  0.331   0.280  
 757   757   6  0.903  0.264   0.243  
 758   758   8  0.841  0.332   0.699  
 759   759   7  0.942  0.343   0.216  
 760   760   8  0.889  0.445   0.746  
 761   761   4  0.930  0.146  -0.646  
 762   762   9  0.917  0.487   0.999  
 763   763   8  0.911  0.307   0.494  
 764   764   8  0.975  0.560   1.621  
 765   765   8  0.964  0.440   0.713  
 766   766   8  0.898  0.423   0.599  
 767   767   6  0.893  0.370   1.100  
 768   768   8  0.798  0.327   0.658  
 769   769   7  0.913  0.259  -0.002  
 770   770   8  0.964  0.315  -0.063  
 771   771   7  0.873  0.382   0.943  
 772   772   8  0.819  0.367   0.222  
 773   773   8  0.805  0.351   0.855  
 774   774   7  0.959  0.329   0.640  
 775   775   9  0.889  0.201  -0.645  
 776   776   7  0.979  0.332   0.143  
 777   777   7  0.948  0.320   0.566  
 778   778   5  0.921  0.544   2.034  
 779   779   8  0.826  0.567   1.567  
 780   780   6  0.816  0.210  -0.212  
 781   781   6  0.893  0.183  -0.413  
 782   782   8  0.786  0.480   1.915  
 783   783   9  0.737  0.324   0.230  
 784   784  12  0.791  0.224  -0.651  
 785   785  11  0.840  0.375   0.242  
 786   786   6  0.899  0.255   0.146  
 787   787   5  0.927  0.243  -0.102  
 788   788   4  0.889  0.250   0.090  
 789   789   7  0.917  0.437   0.846  
 790   790   7  0.939  0.495   1.234  
 791   791   9  0.705  0.492   1.031  
 792   792   4  0.954  0.271   0.238  
 793   793  10  0.915  0.282   0.109  
 794   794  11  0.821  0.329   0.047  
 795   795   9  0.501  0.616   1.825  
 796   796   9  0.851  0.261  -0.218  
 797   797   6  0.901  0.225  -0.092  
 798   798   4  0.902  0.164  -0.519  
 799   799   6  0.791  0.198  -0.291  
 800   800   8  0.928  0.364   0.202  
 801   801  12  0.873  0.364   0.338  
 802   802  12  0.915  0.407   0.641  
 803   803   6  0.903  0.282   0.361  
 804   804   8  0.974  0.635   2.137  
 805   805   9  0.677  0.604   2.221  
 806   806   9  0.811  0.605   1.755  
 807   807   9  0.778  0.454   1.154  
 808   808   4  0.915  0.266   0.203  
 809   809   9  0.772  0.352   0.551  
 810   810  11  0.760  0.294  -0.183  
 811   811   9  0.758  0.495   1.051  
 812   812  14  0.814  0.342   0.246  
 813   813  12  0.860  0.502   1.312  
 814   814   9  0.887  0.328  -0.019  
 815   815  11  0.881  0.258  -0.419  
 816   816   8  0.902  0.291  -0.028  
 817   817   5  0.970  0.336   0.558  
 818   818   7  0.943  0.465   1.033  
 819   819   8  0.969  0.501   1.216  
 820   820   8  0.969  0.551   1.459  
 821   821   6  0.917  0.173  -0.506  
 822   822   8  0.918  0.340   0.040  
 823   823   9  0.886  0.270  -0.154  
 824   824   9  0.891  0.221  -0.446  
 825   825   4  0.976  0.201  -0.257  
 826   826   8  0.913  0.270   0.220  
 827   827  11  0.892  0.228  -0.616  
 828   828   8  0.948  0.285  -0.330  
 829   829  11  0.805  0.514   1.260  
 830   830   9  0.877  0.281  -0.076  
 831   831   9  0.871  0.223  -0.431  
 832   832  12  0.846  0.372   0.394  
 833   833   4  0.914  0.205  -0.229  
 834   834   8  0.909  0.390   0.377  
 835   835   4  0.893  0.271   0.238  
 836   836   8  0.516  0.364   1.010  
 837   837   6  0.578  0.304   0.537  
 838   838  11  0.878  0.538   1.330  
 839   839   7  0.875  0.225  -0.574  
 840   840   4  0.805  0.345   0.762  
 841   841   8  0.850  0.440   0.713  
 842   842  11  0.792  0.334   0.079  
 843   843   7  0.875  0.467   1.047  
 844   844   7  0.941  0.391   0.538  
 845   845   5  0.949  0.387   0.920  
 846   846   9  0.798  0.401   0.449  
 847   847  14  0.884  0.377   0.503  
 848   848   6  0.871  0.211  -0.204  
 849   849   6  0.891  0.213  -0.188  
 850   850   8  0.850  0.242  -0.016  
 851   851   4  0.872  0.233  -0.030  
 852   852  12  0.841  0.404   0.620  
 853   853  11  0.937  0.544   1.370  
 854   854  12  0.889  0.310  -0.044  
 855   855   6  0.946  0.230  -0.053  
 856   856   4  0.856  0.215  -0.158  
 857   857   9  0.803  0.497   1.063  
 858   858   8  0.943  0.540   1.484  
 859   859   7  0.948  0.278   0.223  
 860   860  11  0.800  0.291  -0.203  
 861   861   8  0.681  0.283   0.297  
 862   862   7  0.793  0.217  -0.628  
 863   863   4  0.832  0.226  -0.080  
 864   864   5  0.889  0.261   0.026  
 865   865   4  0.648  0.409   1.215  
 866   866   9  0.653  0.415   0.538  
 867   867  12  0.775  0.547   1.630  
 868   868   9  0.839  0.268  -0.403  
 869   869   8  0.935  0.599   1.782  
 870   870   8  0.938  0.338   0.027  
 871   871  11  0.937  0.467   0.856  
 872   872   8  0.919  0.246  -0.007  
 873   873   8  0.905  0.272   0.206  
 874   874   4  0.897  0.252   0.104  
 875   875  12  0.816  0.356   0.281  
 876   876   9  0.830  0.321   0.208  
 877   877   6  0.862  0.222  -0.097  
 878   878   8  0.846  0.239  -0.065  
 879   879   7  0.948  0.535   1.502  
 880   880   8  0.910  0.523   1.271  
 881   881   4  0.946  0.450   1.505  
 882   882   9  0.873  0.689   2.293  
 883   883   8  0.882  0.377   1.069  
 884   884   8  0.974  0.594   1.855  
 885   885   8  0.906  0.432   0.659  
 886   886   8  0.891  0.390   0.377  
 887   887   6  0.861  0.383   1.206  
 888   888   8  0.747  0.349   0.839  
 889   889   7  0.949  0.243  -0.124  
 890   890   8  0.966  0.360   0.247  
 891   891   7  0.904  0.339   0.613  
 892   892   8  0.826  0.379   0.303  
 893   893   8  0.904  0.242  -0.040  
 894   894   7  0.943  0.267   0.133  
 895   895   9  0.855  0.240  -0.368  
 896   896   7  0.980  0.314   0.022  
 897   897   7  0.964  0.391   1.147  
 898   898   5  0.884  0.500   1.722  
 899   899   8  0.838  0.524   1.278  
 900   900   6  0.802  0.223  -0.108  
 901   901   6  0.502  0.298   0.518  
 902   902   8  0.685  0.556   2.540  
 903   903   9  0.389  0.658   2.605  
 904   904  12  0.713  0.565   1.757  
 905   905  11  0.796  0.550   1.410  
 906   906   6  0.844  0.299   0.497  
 907   907   5  0.959  0.240  -0.123  
 908   908   4  0.888  0.379   1.003  
 909   909   7  0.929  0.374   0.424  
 910   910   7  0.981  0.456   0.973  
 911   911   9  0.711  0.489   1.012  
 912   912   4  0.922  0.259   0.154  
 913   913  10  0.859  0.371   0.825  
 914   914  11  0.806  0.360   0.250  
 915   915   9  0.685  0.522   1.223  
 916   916   9  0.786  0.218  -0.524  
 917   917   6  0.916  0.153  -0.666  
 918   918   4  0.924  0.177  -0.427  
 919   919   6  0.879  0.175  -0.477  
 920   920   8  0.910  0.395   0.410  
 921   921  12  0.835  0.400   0.592  
 922   922  12  0.930  0.440   0.874  
 923   923   6  0.875  0.259   0.178  
 924   924   8  0.972  0.679   2.439  
 925   925   9  0.640  0.483   1.361  
 926   926   9  0.853  0.701   2.369  
 927   927   9  0.775  0.554   1.866  
 928   928   4  0.855  0.178  -0.420  
 929   929   9  0.783  0.371   0.696  
 930   930  11  0.709  0.450   0.840  
 931   931   9  0.685  0.486   0.993  
 932   932  14  0.879  0.284  -0.179  
 933   933  12  0.864  0.349   0.232  
 934   934   9  0.868  0.337   0.039  
 935   935  11  0.873  0.296  -0.170  
 936   936   8  0.920  0.317   0.158  
 937   937   5  0.954  0.269   0.082  
 938   938   7  0.947  0.454   0.960  
 939   939   8  0.945  0.528   1.401  
 940   940   8  0.950  0.524   1.278  
 941   941   6  0.936  0.191  -0.363  
 942   942   8  0.948  0.314  -0.134  
 943   943   9  0.884  0.192  -0.709  
 944   944   9  0.942  0.256  -0.180  
 945   945   4  0.972  0.421   1.300  
 946   946   8  0.851  0.356   0.943  
 947   947  11  0.889  0.200  -0.799  
 948   948   8  0.938  0.346   0.081  
 949   949  11  0.829  0.384   0.407  
 950   950   9  0.874  0.407   0.820  
 951   951   9  0.853  0.203  -0.583  
 952   952  12  0.895  0.219  -0.686  
 953   953   4  0.874  0.241   0.026  
 954   954   8  0.918  0.627   1.970  
 955   955   4  0.761  0.448   1.491  
 956   956   8  0.439  0.368   1.044  
 957   957   6  0.643  0.291   0.433  
 958   958  11  0.822  0.521   1.216  
 959   959   7  0.854  0.349   0.257  
 960   960   4  0.883  0.164  -0.519  
 961   961   8  0.788  0.500   1.116  
 962   962  11  0.830  0.319  -0.019  
 963   963   7  0.904  0.424   0.759  
 964   964   7  0.904  0.391   0.538  
 965   965   5  0.947  0.342   0.600  
 966   966   9  0.783  0.515   1.179  
 967   967  14  0.859  0.392   0.612  
 968   968   6  0.863  0.317   0.640  
 969   969   6  0.945  0.173  -0.506  
 970   970   8  0.797  0.262   0.152  
 971   971   4  0.851  0.247   0.069  
 972   972  12  0.851  0.303  -0.093  
 973   973  11  0.924  0.636   1.983  
 974   974  12  0.938  0.219  -0.686  
 975   975   6  0.986  0.149  -0.697  
 976   976   4  0.959  0.146  -0.646  
 977   977   9  0.755  0.391   0.385  
 978   978   8  0.949  0.488   1.126  
 979   979   7  0.908  0.270   0.157  
 980   980  11  0.737  0.703   2.499  
 981   981   8  0.594  0.337   0.740  
 982   982   7  0.727  0.399   0.591  
 983   983   4  0.739  0.184  -0.377  
 984   984   5  0.900  0.398   0.998  
 985   985   4  0.749  0.476   1.689  
 986   986   9  0.820  0.537   1.319  
 987   987  12  0.906  0.739   2.986  
 988   988   9  0.804  0.259  -0.460  
 989   989   8  0.874  0.690   2.394  
 990   990   8  0.896  0.296  -0.256  
 991   991  11  0.914  0.416   0.516  
 992   992   8  0.919  0.212  -0.287  
 993   993   8  0.895  0.273   0.214  
 994   994   4  0.909  0.253   0.111  
 995   995  12  0.844  0.366   0.352  
 996   996   9  0.776  0.404   0.799  
 997   997   6  0.759  0.364   1.052  
 998   998   8  0.750  0.307   0.494  
 999   999   7  0.941  0.590   1.871  
1000  1000   8  0.877  0.594   1.748  
1001  1001   4  0.830  0.344   0.755  
1002  1002   9  0.900  0.474   0.916  
1003  1003   8  0.828  0.514   2.195  
1004  1004   8  0.957  0.922   4.109  
1005  1005   8  0.925  0.582   1.668  
1006  1006   8  0.859  0.413   0.531  
1007  1007   6  0.891  0.261   0.218  
1008  1008   8  0.798  0.340   0.765  
1009  1009   7  0.895  0.287   0.214  
1010  1010   8  0.937  0.320  -0.028  
1011  1011   7  0.953  0.378   0.912  
1012  1012   8  0.761  0.453   0.800  
1013  1013   8  0.696  0.394   1.209  
1014  1014   7  0.917  0.244  -0.056  
1015  1015   9  0.834  0.310   0.130  
1016  1016   7  0.957  0.286  -0.165  
1017  1017   7  0.926  0.270   0.157  
1018  1018   5  0.885  0.439   1.289  
1019  1019   8  0.886  0.511   1.190  
1020  1020   6  0.832  0.269   0.258  
1021  1021   6  0.773  0.239   0.040  
1022  1022   8  0.833  0.314   0.551  
1023  1023   9  0.720  0.414   0.870  
1024  1024  12  0.592  0.518   1.425  
1025  1025  11  0.777  0.332  -0.045  
1026  1026   6  0.781  0.406   1.349  
1027  1027   5  0.829  0.502   1.736  
1028  1028   4  0.835  0.384   1.038  
1029  1029   7  0.946  0.607   1.985  
1030  1030   7  0.968  0.516   1.375  
1031  1031   9  0.614  0.525   1.243  
1032  1032   4  0.961  0.267   0.210  
1033  1033  10  0.887  0.328   0.479  
1034  1034  11  0.849  0.318  -0.026  
1035  1035   9  0.628  0.480   0.955  
1036  1036   9  0.834  0.271  -0.147  
1037  1037   6  0.937  0.162  -0.594  
1038  1038   4  0.887  0.198  -0.278  
1039  1039   6  0.832  0.194  -0.324  
1040  1040   8  0.952  0.350   0.108  
1041  1041  12  0.866  0.326   0.069  
1042  1042  12  0.947  0.434   0.832  
1043  1043   6  0.894  0.275   0.306  
1044  1044   8  0.969  0.498   1.195  
1045  1045   9  0.715  0.462   1.211  
1046  1046   9  0.835  0.684   2.261  
1047  1047   9  0.676  0.352   0.429  
1048  1048   4  0.773  0.120  -0.830  
1049  1049   9  0.832  0.383   0.788  
1050  1050  11  0.771  0.280  -0.275  
1051  1051   9  0.750  0.503   1.102  
1052  1052  14  0.832  0.261  -0.347  
1053  1053  12  0.904  0.527   1.489  
1054  1054   9  0.802  0.391   0.385  
1055  1055  11  0.835  0.325   0.020  
1056  1056   8  0.920  0.296   0.008  
1057  1057   5  0.942  0.254  -0.024  
1058  1058   7  0.958  0.362   0.344  
1059  1059   8  0.957  0.412   0.604  
1060  1060   8  0.934  0.447   0.760  
1061  1061   6  0.921  0.280   0.346  
1062  1062   8  0.925  0.326  -0.054  
1063  1063   9  0.850  0.192  -0.709  
1064  1064   9  0.897  0.302   0.171  
1065  1065   4  0.958  0.676   3.105  
1066  1066   8  0.851  0.559   2.650  
1067  1067  11  0.754  0.315  -0.045  
1068  1068   8  0.942  0.388   0.363  
1069  1069  11  0.811  0.280  -0.275  
1070  1070   9  0.894  0.350   0.415  
1071  1071   9  0.859  0.188  -0.698  
1072  1072  12  0.815  0.319   0.020  
1073  1073   4  0.891  0.205  -0.229  
1074  1074   8  0.867  0.873   3.625  
1075  1075   8  0.581  0.386   1.195  
1076  1076   6  0.716  0.342   0.839  
1077  1077  11  0.838  0.489   1.003  
1078  1078   7  0.862  0.224  -0.581  
1079  1079   4  0.940  0.128  -0.774  
1080  1080   8  0.928  0.357   0.155  
1081  1081  11  0.842  0.314  -0.052  
1082  1082   7  0.872  0.361   0.337  
1083  1083   7  0.959  0.384   0.491  
1084  1084   5  0.933  0.470   1.509  
1085  1085   9  0.661  0.652   2.056  
1086  1086  14  0.816  0.440   0.964  
1087  1087   6  0.879  0.201  -0.283  
1088  1088   6  0.892  0.194  -0.339  
1089  1089   8  0.924  0.188  -0.470  
1090  1090   4  0.909  0.199  -0.271  
1091  1091  12  0.853  0.326   0.069  
1092  1092  11  0.923  0.457   0.789  
1093  1093  12  0.889  0.392   0.535  
1094  1094   6  0.918  0.245   0.067  
1095  1095   4  0.848  0.265   0.196  
1096  1096   9  0.833  0.613   1.806  
1097  1097   8  0.942  0.595   1.862  
1098  1098   7  0.919  0.238  -0.105  
1099  1099  11  0.803  0.297  -0.163  
1100  1100   8  0.495  0.456   1.718  
1101  1101   7  0.870  0.299  -0.078  
1102  1102   4  0.836  0.335   0.691  
1103  1103   5  0.766  0.584   2.318  
1104  1104   4  0.693  0.548   2.199  
1105  1105   9  0.845  0.320  -0.070  
1106  1106  12  0.851  0.675   2.534  
1107  1107   9  0.912  0.247  -0.537  
1108  1108   8  0.925  0.714   2.555  
1109  1109   8  0.866  0.396   0.417  
1110  1110  11  0.912  0.492   1.023  
1111  1111   8  0.908  0.227  -0.164  
1112  1112   8  0.830  0.317   0.576  
1113  1113   4  0.922  0.293   0.394  
1114  1114  12  0.823  0.353   0.260  
1115  1115   9  0.805  0.318   0.187  
1116  1116   6  0.845  0.287   0.429  
1117  1117   8  0.842  0.231  -0.131  
1118  1118   7  0.898  0.412   0.678  
1119  1119   8  0.903  0.380   0.309  
1120  1120   4  0.895  0.359   0.861  
1121  1121   9  0.906  0.412   0.519  
1122  1122   8  0.848  0.415   1.381  
1123  1123   8  0.955  0.676   2.419  
1124  1124   8  0.927  0.680   2.327  
1125  1125   8  0.872  0.406   0.484  
1126  1126   6  0.914  0.412   1.440  
1127  1127   8  0.894  0.237  -0.081  
1128  1128   7  0.960  0.211  -0.370  
1129  1129   8  0.942  0.397   0.501  
1130  1130   7  0.884  0.371   0.859  
1131  1131   8  0.850  0.414   0.538  
1132  1132   8  0.828  0.325   0.642  
1133  1133   7  0.950  0.267   0.133  
1134  1134   9  0.902  0.365   0.521  
1135  1135   7  0.965  0.511   1.342  
1136  1136   7  0.936  0.384   1.090  
1137  1137   5  0.903  0.344   0.615  
1138  1138   8  0.888  0.418   0.565  
1139  1139   6  0.922  0.229  -0.061  
1140  1140   6  0.871  0.323   0.720  
1141  1141   8  0.824  0.249   0.017  
1142  1142   9  0.679  0.365   0.521  
1143  1143  12  0.760  0.363   0.331  
1144  1144  11  0.737  0.424   0.569  
1145  1145   6  0.841  0.337   0.799  
1146  1146   5  0.834  0.412   1.097  
1147  1147   4  0.955  0.375   0.975  
1148  1148   7  0.951  0.401   0.605  
1149  1149   7  0.966  0.476   1.107  
1150  1150   9  0.717  0.540   1.339  
1151  1151   4  0.940  0.244   0.047  
1152  1152  10  0.878  0.302   0.270  
1153  1153  11  0.748  0.422   0.656  
1154  1154   9  0.733  0.448   0.750  
1155  1155   9  0.875  0.224  -0.482  
1156  1156   6  0.905  0.182  -0.435  
1157  1157   4  0.924  0.144  -0.660  
1158  1158   6  0.821  0.285   0.413  
1159  1159   8  0.927  0.397   0.424  
1160  1160  12  0.846  0.426   0.775  
1161  1161  12  0.941  0.384   0.479  
1162  1162   6  0.925  0.410   1.381  
1163  1163   8  0.962  0.479   1.065  
1164  1164   9  0.802  0.516   1.595  
1165  1165   9  0.900  0.483   0.974  
1166  1166   9  0.895  0.258  -0.240  
1167  1167   4  0.837  0.183  -0.384  
1168  1168   9  0.846  0.196  -0.637  
1169  1169  11  0.786  0.380   0.381  
1170  1170   9  0.724  0.620   1.851  
1171  1171  14  0.745  0.336   0.202  
1172  1172  12  0.904  0.457   0.994  
1173  1173   9  0.835  0.387   0.359  
1174  1174  11  0.774  0.332   0.066  
1175  1175   8  0.943  0.234  -0.434  
1176  1176   5  0.922  0.289   0.224  
1177  1177   7  0.951  0.395   0.565  
1178  1178   8  0.962  0.395   0.487  
1179  1179   8  0.951  0.532   1.332  
1180  1180   6  0.908  0.195  -0.331  
1181  1181   8  0.926  0.364   0.202  
1182  1182   9  0.900  0.276  -0.112  
1183  1183   9  0.915  0.227  -0.401  
1184  1184   4  0.941  0.447   1.484  
1185  1185   8  0.869  0.346   0.859  
1186  1186  11  0.858  0.264  -0.380  
1187  1187   8  0.895  0.421   0.585  
1188  1188  11  0.750  0.621   1.961  
1189  1189   9  0.824  0.443   1.076  
1190  1190   9  0.795  0.393   0.864  
1191  1191  12  0.753  0.538   1.566  
1192  1192   4  0.824  0.557   2.263  
1193  1193   8  0.699  1.031   4.687  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.35.1                                                                Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
