NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
646179 6oh1 27839 cing 1-original 2 unknown unknown


$ DATA  RESTRAINT_VIOLATIONS
$ TABLE #RECORDS 472 #ITEMS 21
Chn Resnm Res Atom  Chn Resnm Res Atom  Type  LoBnd UpBnd Str_01 Str_02 Str_03 Str_04 Str_05 Str_06 Str_07 Str_08 Str_09 Str_10
_  GLU    59  HN    _  GLU    60  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    82  HN    _  LYS    83  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  GLU    16  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HN    _  LYS    58  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    39  HN    _  GLU    79  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HN    _  GLU    79  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    37  HN    _  GLU    79  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLU    27  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    17  HN    _  LYS    18  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  GLU    49  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    24  HN    _  VAL    78  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  THR    71  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    45  HN    _  LYS    46  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    74  HN    _  SER    74  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  HA    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     9  HA    _  TYR    10  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    61  HN    _  SER    62  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  VAL    61  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    56  HN    _  VAL    61  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  VAL    56  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB1   _  ASN    57  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  ASN    57  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB1   _  LYS    58  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  LYS    58  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  SER    55  HN      4   0.     5.00   0.07   0.13   0.10   0.06   0.03   0.07   0.04   0.     0.     0.03
_  VAL    56  HN    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HN    _  SER    55  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    11  HN    _  SER    55  HN      4   0.     5.00   0.     0.     0.06   0.     0.     0.     0.     0.06   0.     0.08
_  ALA    32  HA    _  GLU    33  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  GLN    40  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    81  HN    _  THR    82  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  GLY    81  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HA    _  GLY    81  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  GLY    81  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB1   _  GLY    81  HN      4   0.     6.00   0.     0.     0.21   0.     0.     0.     0.20   0.01   0.     0.08
_  LYS    46  HN    _  THR    71  QG2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  GLY    45  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASN    28  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASN    28  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HB    _  ALA    72  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HN    _  PRO    73  HD2     2   0.     5.00   0.04   0.02   0.03   0.     0.01   0.     0.03   0.03   0.04   0.04
_  LYS    83  HN    _  LYS    84  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     9  QB    _  TYR    10  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  PHE    54  QD      4   0.     6.00   1.27   0.72   1.23   1.29   1.42   1.21   1.28   1.43   1.33   1.54
_  LEU     9  HN    _  TYR    10  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  ARG    11  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    39  HN    _  GLN    40  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    14  HN    _  ILE    15  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HN    _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HA    _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HN    _  GLU    79  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HN    _  VAL    78  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HN    _  LYS    80  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HN    _  GLU    79  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HA    _  GLU    79  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  ALA    72  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  THR    35  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  HA    _  THR    35  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB1   _  LEU    31  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  ASN    28  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  VAL    61  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB1   _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  LYS    58  HN      3   0.     5.00   0.20   0.13   0.     0.34   0.31   0.20   0.     0.08   0.     0.
_  ASN    57  HA    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.03   0.     0.
_  SER    55  QB    _  GLU    60  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    43  HN    _  SER    74  HB2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    43  HN    _  SER    74  HB1     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  ASP    20  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    18  HN    _  ILE    19  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HN    _  SER    67  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LYS    46  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  SER    74  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  ILE    77  QD1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  ILE    77  QD1     4   0.     6.00   0.04   0.01   0.     0.09   0.     0.03   0.07   0.     0.     0.
_  LYS    43  HN    _  SER    74  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HE22    1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HE21    1   0.     6.00   0.     0.     0.     0.     0.     0.01   0.     0.     0.     0.
_  PHE    54  QD    _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HN    _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HA    _  ASN    57  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HA    _  ASN    57  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  THR    14  HN      3   0.     6.00   0.20   0.22   0.     0.13   0.30   0.14   0.14   0.     0.24   0.
_  ILE    65  HA    _  SER    67  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    68  HA    _  SER    69  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LEU    44  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  ARG    11  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  VAL    36  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QD    _  LEU    44  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QE    _  LEU    44  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.33   0.
_  ILE    50  HN    _  SER    67  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HA    _  ILE    50  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HN    _  SER    69  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    58  HN    _  GLU    59  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     9  HN    _  SER    55  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    13  HN    _  THR    14  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  SER    55  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB1   _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB2   _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QB    _  SER    55  HN      4   0.     6.00   0.21   0.07   0.01   0.27   0.15   0.27   0.25   0.     0.16   0.
_  LEU     9  HN    _  PHE    54  QD      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE22  _  ILE    77  QG2     4   0.     5.00   0.18   0.52   0.02   0.57   0.45   0.67   0.39   0.52   0.     0.
_  ILE    50  HN    _  ILE    50  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QD    _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB2   _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    34  HN    _  THR    35  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HA    _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    16  HA    _  THR    17  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    73  HA    _  SER    74  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HN    _  GLU    49  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HA    _  SER    67  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.05   0.     0.10
_  GLU    33  HN    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  LEU    31  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  ASP    30  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    62  HN    _  ARG    63  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HN    _  GLU    79  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  GLU    16  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  ALA    72  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    17  HN    _  LYS    46  HN      4   0.     6.00   0.60   0.64   0.69   0.71   0.68   0.53   0.64   0.65   0.63   0.66
_  THR    17  HN    _  THR    17  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  HN    _  GLY    45  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB2   _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     8  HN    _  LEU     9  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HB2   _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    14  HN    _  THR    14  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HN    _  ILE    50  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HN    _  VAL    48  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  THR    82  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.10   0.     0.06   0.
_  ARG    63  HN    _  GLU    64  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HN    _  GLU    13  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    11  HN    _  GLU    12  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    22  HN    _  SER    74  HN      4   0.     6.00   0.08   0.     0.34   0.47   0.     0.     0.03   0.03   0.     0.
_  GLU    33  HA    _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB2   _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HN    _  VAL    61  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HN    _  GLY    81  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  HG    _  GLY    45  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  PHE    54  HA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HN    _  ALA    32  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  ASN    57  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB1   _  ASN    57  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  ILE    15  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  ILE    15  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QB    _  PHE    54  HA      4   0.     5.00   0.17   0.     0.     0.24   0.23   0.23   0.22   0.10   0.19   0.09
_  SER    55  HA    _  GLU    60  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HA    _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    56  HN    _  GLU    60  HA      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  THR    35  HG1     3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  GLU    33  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  THR    82  HN      4   0.     5.00   0.06   0.01   0.     0.     0.02   0.     0.     0.01   0.22   0.11
_  GLU    33  HA    _  THR    82  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  GLU    33  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  THR    35  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.01   0.     0.     0.
_  LEU    31  HN    _  LEU    31  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  LEU    31  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB2   _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB1   _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     8  QB    _  LEU     9  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     8  HN    _  LEU     8  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  HB1     2   0.     5.00   0.     0.     0.66   0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  HB2     2   0.     5.00   0.68   0.68   0.     0.68   0.68   0.68   0.68   0.68   0.69   0.68
_  ASP    20  HB1   _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HN    _  ASP    20  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HN    _  ASP    20  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  ILE    25  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    24  HA    _  ILE    25  HB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    83  QG    _  LYS    84  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.01   0.     0.
_  THR    14  QG2   _  ILE    15  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HN    _  ALA    72  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  QB    _  PRO    73  HD2     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  ILE    19  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  ASP    20  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  QB    _  PRO    73  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ILE    19  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  PRO    73  HD1     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  PRO    73  HD2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  ALA    72  HA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HA    _  PRO    73  HD2     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    45  HA2   _  THR    71  QG2     4   0.     5.00   0.19   0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HB    _  GLY    45  HA2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QD    _  ARG    52  HD1     4   0.     5.00   0.     0.     0.26   0.     0.     0.09   0.05   0.     0.     0.
_  TYR    10  QD    _  ARG    52  HD2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.24   0.     0.18
_  ALA    72  HN    _  PRO    73  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HA    _  PRO    73  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  PRO    29  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  HA    _  ASN    28  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASP    30  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  LEU    31  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  PRO    29  HD2     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  PRO    29  HD1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  HD1   _  ASP    30  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  HD2   _  GLU     7  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE22  _  ILE    77  QD1     4   0.     5.00   1.03   1.42   0.87   1.51   1.33   1.47   1.41   1.45   0.52   0.05
_  LYS    84  HN    _  LYS    84  HA      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    83  HN    _  LYS    84  HA      2   0.     5.00   0.     0.06   0.     0.49   0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLU    79  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HA    _  LYS    80  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  GLU    79  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  LYS    39  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HN    _  VAL    38  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  VAL    38  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  VAL    38  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    36  HA    _  ARG    37  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB1   _  ASP    30  HN      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  ASN    28  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB2   _  ASP    30  HN      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB2   _  LEU    31  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  GLU    60  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HA    _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HA    _  PHE    54  QE      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HA    _  PHE    54  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  PHE    54  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  TYR    10  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  HA    _  GLU    64  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    62  HA    _  ARG    63  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HA    _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  PHE    21  HN      3   0.     6.00   0.36   0.32   0.41   0.35   0.32   0.31   0.37   0.30   0.34   0.28
_  ILE    19  HA    _  ASP    20  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    59  HN    _  GLU    59  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  HD1   _  GLU     7  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  LYS    58  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.02   0.     0.
_  ILE    65  HN    _  ILE    65  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    70  HA    _  THR    70  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    64  HA    _  ILE    65  HB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS     5  HN    _  PRO     6  HD1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS     5  HN    _  PRO     6  HD2     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE21  _  ILE    77  QD1     4   0.     5.00   0.44   0.87   0.21   0.77   0.77   0.99   0.73   0.82   0.21   0.
_  ILE    77  HA    _  ILE    77  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  QD1   _  VAL    78  HN      2   0.     6.00   0.21   0.20   0.21   0.31   0.20   0.18   0.29   0.26   0.38   0.13
_  GLU    59  HN    _  GLU    59  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    74  HN    _  SER    74  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  SER    74  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  SER    74  HB1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  SER    74  HB1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  SER    74  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    17  HN    _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  THR    71  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  THR    71  HB      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  THR    35  HB      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.18   0.
_  ASN    57  HB1   _  LYS    58  HA      2   0.     5.00   1.55   1.57   1.57   1.59   1.53   0.89   0.82   0.79   0.86   0.87
_  SER    67  HN    _  SER    67  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    67  HN    _  SER    67  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HN    _  SER    67  HB1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HN    _  SER    67  HB2     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG11  _  SER    67  HB1     4   0.     6.00   0.96   0.44   0.     0.27   1.01   0.31   0.97   0.39   0.99   0.48
_  ILE    50  HG12  _  SER    67  HB1     4   0.     6.00   0.10   0.     0.     0.     0.19   0.     0.07   0.     0.09   0.
_  ILE    50  HB    _  SER    67  HB1     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HB    _  SER    67  HB2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG1   _  GLN    26  HE22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG2   _  GLN    26  HE22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG1   _  GLN    26  HE21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG2   _  GLN    26  HE21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLN    26  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLN    26  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  HG2     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  HG1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  ARG    52  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  GLU    13  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  GLU    12  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  GLU    12  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    53  HN    _  ILE    53  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB1   _  LEU    44  QD2     4   0.     6.00   0.44   0.30   0.45   0.36   0.29   0.23   0.29   0.26   1.76   0.20
_  LEU    44  HA    _  LEU    44  QD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB2   _  LEU    44  QD1     4   0.     6.00   1.74   1.55   1.94   1.57   1.55   1.47   1.54   1.53   0.     1.40
_  LEU    44  HA    _  LEU    44  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  SER    74  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    36  HA    _  VAL    36  QQG     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG12  _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HA    _  VAL    36  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE21  _  ILE    77  QG2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HA    _  ILE    25  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HA    _  ILE    25  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG12  _  SER    67  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG11  _  SER    67  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HN    _  ILE    50  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG11  _  VAL    51  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG12  _  VAL    51  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HA    _  SER    69  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    68  HA    _  SER    69  QB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HA    _  GLU    23  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HA    _  GLU    23  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  HA    _  ARG    63  HD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  HA    _  ARG    63  HD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HA    _  THR    71  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  THR    71  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HB1   _  LYS    47  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HB2   _  LYS    47  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HA    _  LYS    46  HD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    16  HA    _  THR    17  HB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HA    _  LYS    46  HD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  LYS    46  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  LYS    46  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HG1   _  THR    71  HB      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HG2   _  THR    71  HB      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    53  HA    _  ILE    53  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  HA    _  ILE    77  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  ASP    30  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD22  _  ASP    30  HB1     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD22  _  ASP    30  HB2     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HB1   _  LEU    31  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HB2   _  LEU    31  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD21  _  ASP    30  HB1     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD21  _  ASP    30  HB2     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HB    _  GLY    45  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB1   _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  QD    _  SER    62  HB2     4   0.     6.00   0.     0.     0.     0.05   0.17   0.08   0.15   0.32   0.     0.14
_  PHE    54  QD    _  SER    62  HB1     4   0.     6.00   0.52   0.     0.27   0.58   0.66   0.58   0.61   0.75   0.50   0.60
_  LYS    83  HN    _  LYS    83  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    83  HN    _  LYS    83  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    14  HB    _  ILE    15  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  THR    35  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    11  HN    _  GLU    12  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB1   _  LEU    44  QD1     4   0.     6.00   3.18   3.02   3.32   3.00   3.02   2.96   3.01   2.98   0.67   2.88
_  LEU    31  HN    _  ALA    32  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  THR    35  HN      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HB    _  SER    67  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HN    _  GLU    23  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HN    _  GLU    23  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HG2   _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.08   0.     0.     0.     0.     0.     0.
_  GLU    23  HG1   _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  THR    82  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  THR    35  HB      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    34  HN    _  THR    35  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  HA    _  GLU     7  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HA    _  GLU    49  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  ARG    11  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  LEU    31  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    24  HA    _  ILE    25  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN     4  HB2   _  LYS     5  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN     4  HB1   _  LYS     5  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    56  HN    _  ASN    57  HB2     2   0.     6.00   0.     0.     0.     0.     0.     0.51   0.47   0.60   0.48   0.50
_  VAL    56  HN    _  ASN    57  HB1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  HN    _  GLU    27  QG      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  QG    _  ASN    28  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  QG    _  THR    82  QG2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HG1   _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HG2   _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    52  HN    _  ARG    52  HG2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    52  HN    _  ARG    52  HG1     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  ARG    52  HG2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  ARG    52  HG1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  ILE    25  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  ILE    25  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB2   _  LEU    44  QD2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.17   0.
_  ILE    19  HN    _  ILE    19  HG12    1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  ILE    19  HG11    1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG11  _  ASP    20  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG12  _  ASP    20  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG11  _  LYS    46  HA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB2   _  GLY    81  HA2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB1   _  GLY    81  HA2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QE    _  PHE    54  HN      4   0.     6.00   1.68   0.36   1.01   1.69   1.76   1.85   1.85   1.07   1.71   1.04
_  TYR    10  HN    _  TYR    10  QE      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QE    _  PHE    54  HZ      4   0.     5.00   0.21   0.31   0.32   0.13   0.17   0.05   0.18   0.17   0.32   0.45
_  TYR    10  HA    _  TYR    10  QE      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  TYR    10  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QD    _  PHE    54  HN      4   0.     6.00   0.82   0.     0.44   0.85   0.90   0.95   0.95   0.55   0.85   0.54
_  PHE    21  QD    _  GLY    45  HN      4   0.     6.00   0.03   0.     0.19   0.     0.03   0.10   0.     0.     0.37   0.03
_  PHE    21  QD    _  LEU    44  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HN    _  PHE    54  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  QE    _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.03   0.     0.
_  LEU     9  HA    _  PHE    54  QD      4   0.     6.00   1.15   0.85   1.10   1.18   1.32   1.28   1.25   1.29   1.19   1.42
_  TYR    10  QD    _  PHE    54  HZ      4   0.     6.00   0.96   0.87   1.08   0.94   0.96   0.84   0.96   1.04   1.07   1.27
_  LYS     5  HN    _  PRO     6  QD      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  QD    _  GLU     7  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QD    _  ARG    52  QD      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  ILE    15  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LEU    44  QQD     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  QB      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HB    _  GLY    45  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  PRO    73  QD      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG1   _  ASP    20  HN      2   0.     5.00   0.25   0.     0.     0.25   0.27   0.26   0.24   0.     0.29   0.
_  ILE    19  QG1   _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HA    _  LEU    44  QQD     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  QB    _  LEU    44  QQD     4   0.     6.00   0.49   0.29   0.     0.31   0.31   0.29   0.39   0.31   0.19   0.32
_  PHE    21  HN    _  LEU    44  QQD     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QB    _  GLN    22  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QB    _  LEU    44  QQD     4   0.     6.00   1.04   0.87   1.15   0.90   0.87   0.80   0.86   0.84   0.29   0.75
_  PHE    21  QB    _  SER    74  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    22  HN    _  GLN    22  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    22  QB    _  GLU    23  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.48   0.
_  GLU    24  QB    _  ILE    25  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  QG      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLN    26  QG      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  QG      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  QB    _  GLN    26  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  QG    _  GLN    26  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  QG    _  GLU    27  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  ASN    28  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  PRO    29  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASN    28  QD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  PRO    29  QG      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QB    _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QB    _  GLY    81  QA      4   0.     5.00   0.     0.     0.04   0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QD2   _  ASP    30  QB      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QD2   _  LEU    31  QQD     3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  QB    _  ASP    30  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  QB    _  GLY    81  QA      4   0.     6.00   1.19   1.44   1.76   1.48   1.33   1.59   1.78   1.20   1.26   1.30
_  PRO    29  QD    _  ASP    30  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  QD    _  ASP    30  QB      2   0.     6.00   0.     0.     0.04   0.08   0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  LEU    31  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  GLY    81  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  QB    _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  QB    _  GLY    81  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  QQD   _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  GLY    81  QA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  HA    _  GLY    81  QA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  QB    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  QG    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  QG    _  GLY    34  QA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  GLY    81  QA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  GLY    81  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  QQG   _  GLN    40  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    39  HN    _  LYS    39  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HA    _  GLN    40  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  QE2   _  SER    74  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  QE2   _  SER    74  QB      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  QE2   _  ILE    77  QG1     4   0.     6.00   0.01   0.     0.     0.02   0.     0.     0.02   0.     0.     0.06
_  LEU    44  HN    _  LEU    44  QQD     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  HA    _  LEU    44  QQD     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  QB    _  GLY    45  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  QQD   _  GLY    45  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.12   0.
_  GLY    45  QA    _  THR    71  QG2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HA    _  LYS    46  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  QB    _  LYS    46  QE      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  QB    _  LYS    47  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HN    _  ILE    50  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HA    _  ILE    50  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  QG1   _  VAL    51  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  QG1   _  SER    67  QB      4   0.     5.00   0.63   0.11   0.     0.     0.70   0.     0.63   0.12   0.65   0.21
_  ARG    52  HN    _  ARG    52  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    52  QD    _  VAL    66  QQG     4   0.     6.00   0.19   0.     0.26   0.10   0.24   0.28   0.21   0.     0.21   0.
_  SER    55  HA    _  GLU    60  QG      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  VAL    61  QQG     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  GLU    60  QG      4   0.     6.00   0.     0.26   0.     0.     0.     0.     0.03   0.     0.11   0.13
_  ASN    57  QB    _  ASN    57  QD2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  QB    _  LYS    58  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  QB    _  LYS    58  HA      2   0.     6.00   0.10   0.11   0.11   0.15   0.07   0.     0.     0.     0.     0.
_  GLU    59  HN    _  GLU    59  QG      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HN    _  GLU    60  QG      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  QG    _  VAL    61  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  QG    _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    61  HN    _  VAL    61  QQG     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    61  QQG   _  SER    62  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  QB    _  ARG    63  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HA    _  ILE    65  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HN    _  PRO    73  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HA    _  PRO    73  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  QB    _  PRO    73  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  HN    _  ILE    77  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  QG2   _  ILE    77  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HA    _  LYS    80  QB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HA    _  LYS    80  QG      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HA    _  GLY    81  QA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_OVERALL
$ TABLE #RECORDS 1 #ITEMS 19
Structure NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
Overall       366    3.32  216.48    0.59    0.63    0.05    0.24       0    0.      0.      0.      0.      0.      0.       169    3.32  184.64    4720
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_STRUCTURE
$ TABLE #RECORDS 10 #ITEMS 19
Structure NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
Str_01         39    3.18   23.25    0.60    0.64    0.05    0.25       0    0.      0.      0.      0.      0.      0.        19    3.18   20.38     472
Str_02         31    3.02   18.33    0.59    0.64    0.04    0.22       0    0.      0.      0.      0.      0.      0.        14    3.02   15.45     472
Str_03         32    3.32   20.35    0.64    0.72    0.04    0.25       0    0.      0.      0.      0.      0.      0.        15    3.32   17.68     472
Str_04         37    3.00   23.83    0.64    0.64    0.05    0.25       0    0.      0.      0.      0.      0.      0.        18    3.00   20.25     472
Str_05         38    3.02   24.28    0.64    0.64    0.05    0.25       0    0.      0.      0.      0.      0.      0.        18    3.02   20.96     472
Str_06         37    2.96   22.41    0.61    0.64    0.05    0.24       0    0.      0.      0.      0.      0.      0.        17    2.96   19.28     472
Str_07         41    3.01   24.20    0.59    0.63    0.05    0.25       0    0.      0.      0.      0.      0.      0.        18    3.01   20.44     472
Str_08         38    2.98   21.02    0.55    0.61    0.04    0.23       0    0.      0.      0.      0.      0.      0.        17    2.98   18.18     472
Str_09         39    1.76   20.16    0.52    0.45    0.04    0.19       0    0.      0.      0.      0.      0.      0.        17    1.76   15.64     472
Str_10         34    2.88   18.64    0.55    0.61    0.04    0.22       0    0.      0.      0.      0.      0.      0.        16    2.88   16.39     472
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESTRAINT
$ TABLE #RECORDS 472 #ITEMS 18
Chn Resnm Res Atom  Chn Resnm Res Atom  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLU    59  HN    _  GLU    60  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    82  HN    _  LYS    83  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  GLU    16  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HN    _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    39  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    37  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLU    27  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    17  HN    _  LYS    18  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  GLU    49  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    24  HN    _  VAL    78  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  THR    71  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    45  HN    _  LYS    46  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    74  HN    _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     9  HA    _  TYR    10  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    61  HN    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  VAL    56  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  ASN    57  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  ASN    57  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  SER    55  HN          8    0.13    0.53       0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HN    _  SER    55  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    11  HN    _  SER    55  HN          3    0.08    0.19       0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  GLU    33  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  GLN    40  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    81  HN    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HA    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB1   _  GLY    81  HN          4    0.21    0.50       0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASN    28  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASN    28  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HB    _  ALA    72  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  PRO    73  HD2         9    0.04    0.24       0    0.      0.         0    0.      0.        10
_  LYS    83  HN    _  LYS    84  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     9  QB    _  TYR    10  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  PHE    54  QD         10    1.54   12.70       0    0.      0.        10    1.54   12.70      10
_  LEU     9  HN    _  TYR    10  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  ARG    11  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    39  HN    _  GLN    40  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    14  HN    _  ILE    15  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HN    _  GLU    24  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HA    _  GLU    24  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HN    _  GLU    79  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HN    _  VAL    78  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HN    _  LYS    80  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HA    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  ALA    72  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  THR    35  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  THR    35  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB1   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  ASN    28  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB1   _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  LYS    58  HN          6    0.34    1.26       0    0.      0.         0    0.      0.        10
_  ASN    57  HA    _  GLU    59  HN          1    0.03    0.03       0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    60  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    43  HN    _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    43  HN    _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    18  HN    _  ILE    19  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HN    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LYS    46  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  SER    74  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  ILE    77  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  ILE    77  QD1         6    0.09    0.24       0    0.      0.         0    0.      0.        10
_  LYS    43  HN    _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HE22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HE21        2    0.01    0.01       0    0.      0.         0    0.      0.        10
_  PHE    54  QD    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HN    _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HA    _  ASN    57  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HA    _  ASN    57  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  THR    14  HN          7    0.30    1.37       0    0.      0.         0    0.      0.        10
_  ILE    65  HA    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    68  HA    _  SER    69  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LEU    44  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  ARG    11  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  VAL    36  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QD    _  LEU    44  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QE    _  LEU    44  HN          1    0.33    0.33       0    0.      0.         0    0.      0.        10
_  ILE    50  HN    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HA    _  ILE    50  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HN    _  SER    69  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    58  HN    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     9  HN    _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    13  HN    _  THR    14  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB1   _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB2   _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QB    _  SER    55  HN          8    0.27    1.39       0    0.      0.         0    0.      0.        10
_  LEU     9  HN    _  PHE    54  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE22  _  ILE    77  QG2         8    0.67    3.32       0    0.      0.         5    0.67    2.73      10
_  ILE    50  HN    _  ILE    50  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QD    _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB2   _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    34  HN    _  THR    35  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HA    _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    16  HA    _  THR    17  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    73  HA    _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HN    _  GLU    49  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HA    _  SER    67  HN          2    0.10    0.15       0    0.      0.         0    0.      0.        10
_  GLU    33  HN    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  ASP    30  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    62  HN    _  ARG    63  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HN    _  GLU    79  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  GLU    16  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  ALA    72  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    17  HN    _  LYS    46  HN         10    0.71    6.43       0    0.      0.        10    0.71    6.43      10
_  THR    17  HN    _  THR    17  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  HN    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB2   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     8  HN    _  LEU     9  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HB2   _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    14  HN    _  THR    14  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HN    _  ILE    50  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HN    _  VAL    48  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  GLY    81  HN          2    0.10    0.16       0    0.      0.         0    0.      0.        10
_  ARG    63  HN    _  GLU    64  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HN    _  GLU    13  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    11  HN    _  GLU    12  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    22  HN    _  SER    74  HN          5    0.47    0.95       0    0.      0.         1    0.47    0.47      10
_  GLU    33  HA    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB2   _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HN    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HN    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  HG    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  PHE    54  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HN    _  ALA    32  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  ASN    57  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  ASN    57  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  ILE    15  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  ILE    15  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QB    _  PHE    54  HA          8    0.24    1.46       0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  GLU    60  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HA    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  GLU    60  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  THR    35  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  GLU    33  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  THR    82  HN          6    0.22    0.43       0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  GLU    33  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  THR    35  HN          1    0.01    0.01       0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  LEU    31  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  LEU    31  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB2   _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB1   _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     8  QB    _  LEU     9  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     8  HN    _  LEU     8  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ASP    20  HB1         1    0.66    0.66       0    0.      0.         1    0.66    0.66      10
_  ILE    19  HA    _  ASP    20  HB2         9    0.69    6.15       0    0.      0.         9    0.69    6.15      10
_  ASP    20  HB1   _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HN    _  ASP    20  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HN    _  ASP    20  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  ILE    25  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    24  HA    _  ILE    25  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    83  QG    _  LYS    84  HN          1    0.01    0.01       0    0.      0.         0    0.      0.        10
_  THR    14  QG2   _  ILE    15  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  ALA    72  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  QB    _  PRO    73  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ILE    19  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  QB    _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ILE    19  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  PRO    73  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  ALA    72  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HA    _  PRO    73  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    45  HA2   _  THR    71  QG2         1    0.19    0.19       0    0.      0.         0    0.      0.        10
_  ILE    19  HB    _  GLY    45  HA2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  ARG    52  HD1         4    0.26    0.40       0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  ARG    52  HD2         2    0.24    0.43       0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HA    _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  PRO    29  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  HA    _  ASN    28  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  PRO    29  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  PRO    29  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  HD1   _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  HD2   _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE22  _  ILE    77  QD1        10    1.51   11.05       0    0.      0.         9    1.51   11.01      10
_  LYS    84  HN    _  LYS    84  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    83  HN    _  LYS    84  HA          2    0.49    0.55       0    0.      0.         1    0.49    0.49      10
_  GLN    26  HN    _  GLU    79  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HA    _  LYS    80  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  LYS    39  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HN    _  VAL    38  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  VAL    38  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  VAL    38  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    36  HA    _  ARG    37  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB1   _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  ASN    28  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB2   _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB2   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    60  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HA    _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HA    _  PHE    54  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HA    _  PHE    54  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  PHE    54  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  TYR    10  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  HA    _  GLU    64  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    62  HA    _  ARG    63  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HA    _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  PHE    21  HN         10    0.41    3.35       0    0.      0.         1    0.41    0.41      10
_  ILE    19  HA    _  ASP    20  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    59  HN    _  GLU    59  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  HD1   _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  LYS    58  HA          1    0.02    0.02       0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    70  HA    _  THR    70  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    64  HA    _  ILE    65  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS     5  HN    _  PRO     6  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS     5  HN    _  PRO     6  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE21  _  ILE    77  QD1         9    0.99    5.80       0    0.      0.         7    0.99    5.38      10
_  ILE    77  HA    _  ILE    77  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  QD1   _  VAL    78  HN         10    0.38    2.37       0    0.      0.         0    0.      0.        10
_  GLU    59  HN    _  GLU    59  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    74  HN    _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    17  HN    _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  THR    35  HB          1    0.18    0.18       0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  LYS    58  HA         10    1.59   12.03       0    0.      0.        10    1.59   12.03      10
_  SER    67  HN    _  SER    67  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    67  HN    _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HN    _  SER    67  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HN    _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG11  _  SER    67  HB1         9    1.01    5.84       0    0.      0.         6    1.01    4.86      10
_  ILE    50  HG12  _  SER    67  HB1         4    0.19    0.45       0    0.      0.         0    0.      0.        10
_  ILE    50  HB    _  SER    67  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HB    _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG1   _  GLN    26  HE22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG2   _  GLN    26  HE22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG1   _  GLN    26  HE21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG2   _  GLN    26  HE21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLN    26  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLN    26  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  ARG    52  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  GLU    13  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  GLU    12  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  GLU    12  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    53  HN    _  ILE    53  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB1   _  LEU    44  QD2        10    1.76    4.58       0    0.      0.         3    1.76    2.65      10
_  LEU    44  HA    _  LEU    44  QD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB2   _  LEU    44  QD1         9    1.94   14.29       0    0.      0.         9    1.94   14.29      10
_  LEU    44  HA    _  LEU    44  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  SER    74  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    36  HA    _  VAL    36  QQG         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG12  _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HA    _  VAL    36  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE21  _  ILE    77  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HA    _  ILE    25  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HA    _  ILE    25  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG12  _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG11  _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HN    _  ILE    50  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG11  _  VAL    51  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG12  _  VAL    51  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HA    _  SER    69  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    68  HA    _  SER    69  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HA    _  GLU    23  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HA    _  GLU    23  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  HA    _  ARG    63  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  HA    _  ARG    63  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HA    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HB1   _  LYS    47  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HB2   _  LYS    47  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HA    _  LYS    46  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    16  HA    _  THR    17  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HA    _  LYS    46  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  LYS    46  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  LYS    46  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HG1   _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HG2   _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    53  HA    _  ILE    53  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  HA    _  ILE    77  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  ASP    30  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD22  _  ASP    30  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD22  _  ASP    30  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HB1   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HB2   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD21  _  ASP    30  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD21  _  ASP    30  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HB    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB1   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  QD    _  SER    62  HB2         6    0.32    0.89       0    0.      0.         0    0.      0.        10
_  PHE    54  QD    _  SER    62  HB1         9    0.75    5.08       0    0.      0.         8    0.75    4.81      10
_  LYS    83  HN    _  LYS    83  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    83  HN    _  LYS    83  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    14  HB    _  ILE    15  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  THR    35  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    11  HN    _  GLU    12  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB1   _  LEU    44  QD1        10    3.32   28.03       0    0.      0.        10    3.32   28.03      10
_  LEU    31  HN    _  ALA    32  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  THR    35  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HB    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HN    _  GLU    23  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HN    _  GLU    23  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HG2   _  GLU    24  HN          1    0.08    0.08       0    0.      0.         0    0.      0.        10
_  GLU    23  HG1   _  GLU    24  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  THR    35  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    34  HN    _  THR    35  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  HA    _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HA    _  GLU    49  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  ARG    11  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  LEU    31  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    24  HA    _  ILE    25  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN     4  HB2   _  LYS     5  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN     4  HB1   _  LYS     5  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  ASN    57  HB2         5    0.60    2.55       0    0.      0.         5    0.60    2.55      10
_  VAL    56  HN    _  ASN    57  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  HN    _  GLU    27  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  QG    _  ASN    28  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  QG    _  THR    82  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HG1   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HG2   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    52  HN    _  ARG    52  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    52  HN    _  ARG    52  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  ARG    52  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  ARG    52  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  ILE    25  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  ILE    25  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB2   _  LEU    44  QD2         1    0.17    0.17       0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ILE    19  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ILE    19  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG11  _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG12  _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG11  _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB2   _  GLY    81  HA2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB1   _  GLY    81  HA2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QE    _  PHE    54  HN         10    1.85   14.03       0    0.      0.         9    1.85   13.67      10
_  TYR    10  HN    _  TYR    10  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QE    _  PHE    54  HZ         10    0.45    2.32       0    0.      0.         1    0.45    0.45      10
_  TYR    10  HA    _  TYR    10  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  TYR    10  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  PHE    54  HN          9    0.95    6.85       0    0.      0.         9    0.95    6.85      10
_  PHE    21  QD    _  GLY    45  HN          6    0.37    0.75       0    0.      0.         0    0.      0.        10
_  PHE    21  QD    _  LEU    44  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HN    _  PHE    54  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  QE    _  SER    55  HN          1    0.03    0.03       0    0.      0.         0    0.      0.        10
_  LEU     9  HA    _  PHE    54  QD         10    1.42   12.03       0    0.      0.        10    1.42   12.03      10
_  TYR    10  QD    _  PHE    54  HZ         10    1.27   10.00       0    0.      0.        10    1.27   10.00      10
_  LYS     5  HN    _  PRO     6  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  QD    _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  ARG    52  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  ILE    15  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ASP    20  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HB    _  GLY    45  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG1   _  ASP    20  HN          6    0.29    1.55       0    0.      0.         0    0.      0.        10
_  ILE    19  QG1   _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HA    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  QB    _  LEU    44  QQD         9    0.49    2.91       0    0.      0.         1    0.49    0.49      10
_  PHE    21  HN    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QB    _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QB    _  LEU    44  QQD        10    1.15    8.36       0    0.      0.         9    1.15    8.07      10
_  PHE    21  QB    _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    22  HN    _  GLN    22  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    22  QB    _  GLU    23  HA          1    0.48    0.48       0    0.      0.         1    0.48    0.48      10
_  GLU    24  QB    _  ILE    25  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLN    26  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  QB    _  GLN    26  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  QG    _  GLN    26  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  QG    _  GLU    27  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  ASN    28  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  PRO    29  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASN    28  QD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  PRO    29  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  QB    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  QB    _  GLY    81  QA          1    0.04    0.04       0    0.      0.         0    0.      0.        10
_  ASN    28  QD2   _  ASP    30  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  QD2   _  LEU    31  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  QB    _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  QB    _  GLY    81  QA         10    1.78   14.33       0    0.      0.        10    1.78   14.33      10
_  PRO    29  QD    _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  QD    _  ASP    30  QB          3    0.08    0.12       0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  LEU    31  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  QB    _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  QB    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  QQD   _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  QB    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  QG    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  QG    _  GLY    34  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  QQG   _  GLN    40  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    39  HN    _  LYS    39  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HA    _  GLN    40  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  QE2   _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  QE2   _  SER    74  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  QE2   _  ILE    77  QG1         4    0.06    0.10       0    0.      0.         0    0.      0.        10
_  LEU    44  HN    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  HA    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  QB    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  QQD   _  GLY    45  HN          1    0.12    0.12       0    0.      0.         0    0.      0.        10
_  GLY    45  QA    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HA    _  LYS    46  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  QB    _  LYS    46  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  QB    _  LYS    47  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HN    _  ILE    50  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HA    _  ILE    50  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  QG1   _  VAL    51  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  QG1   _  SER    67  QB          7    0.70    3.04       0    0.      0.         4    0.70    2.60      10
_  ARG    52  HN    _  ARG    52  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    52  QD    _  VAL    66  QQG         7    0.28    1.49       0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  GLU    60  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  VAL    61  QQG         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    60  QG          4    0.26    0.53       0    0.      0.         0    0.      0.        10
_  ASN    57  QB    _  ASN    57  QD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  QB    _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  QB    _  LYS    58  HA          5    0.15    0.54       0    0.      0.         0    0.      0.        10
_  GLU    59  HN    _  GLU    59  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HN    _  GLU    60  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  QG    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  QG    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    61  HN    _  VAL    61  QQG         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    61  QQG   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  QB    _  ARG    63  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HA    _  ILE    65  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HA    _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  QB    _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  HN    _  ILE    77  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  QG2   _  ILE    77  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HA    _  LYS    80  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HA    _  LYS    80  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HA    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_ALL_STRUCTURES
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.        20
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.        50
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.        70
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.        40
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.        30
_  LEU     9        10    1.42   12.03       0    0.      0.        10    1.42   12.03      80
_  TYR    10        79    1.85   50.12       0    0.      0.        39    1.85   43.68     260
_  ARG    11         3    0.08    0.19       0    0.      0.         0    0.      0.        60
_  GLU    12         7    0.30    1.37       0    0.      0.         0    0.      0.        80
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.        30
_  THR    14         7    0.30    1.37       0    0.      0.         0    0.      0.        60
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.       140
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.        40
_  THR    17        10    0.71    6.43       0    0.      0.        10    0.71    6.43      60
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.        20
_  ILE    19        26    0.69   11.72       0    0.      0.        11    0.69    7.23     310
_  ASP    20        25    0.69   11.28       0    0.      0.        11    0.69    7.30     180
_  PHE    21        57    3.32   59.86       0    0.      0.        32    3.32   53.46     210
_  GLN    22         6    0.48    1.43       0    0.      0.         2    0.48    0.95      80
_  GLU    23         2    0.48    0.56       0    0.      0.         1    0.48    0.48      90
_  GLU    24         1    0.08    0.08       0    0.      0.         0    0.      0.        80
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.       120
_  GLN    26        29    1.51   20.18       0    0.      0.        21    1.51   19.12     260
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.        60
_  ASN    28         5    0.21    0.54       0    0.      0.         0    0.      0.       290
_  PRO    29        13    1.78   14.45       0    0.      0.        10    1.78   14.33     100
_  ASP    30         3    0.08    0.12       0    0.      0.         0    0.      0.       180
_  LEU    31         2    0.10    0.16       0    0.      0.         0    0.      0.       230
_  ALA    32         8    0.22    0.63       0    0.      0.         0    0.      0.       150
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.       120
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.        70
_  THR    35         2    0.18    0.19       0    0.      0.         0    0.      0.       170
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.        40
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.        20
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.        70
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.        40
_  GLN    40        10    0.09    0.34       0    0.      0.         0    0.      0.       160
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.        30
_  LEU    44        51    3.32   58.80       0    0.      0.        32    3.32   53.53     210
_  GLY    45         8    0.37    1.06       0    0.      0.         0    0.      0.       120
_  LYS    46        10    0.71    6.43       0    0.      0.        10    0.71    6.43     220
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.        30
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.        40
_  GLU    49         2    0.10    0.15       0    0.      0.         0    0.      0.        70
_  ILE    50        20    1.01    9.33       0    0.      0.        10    1.01    7.46     170
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.        30
_  ARG    52        13    0.28    2.31       0    0.      0.         0    0.      0.       100
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.        20
_  PHE    54        83    1.85   65.40       0    0.      0.        57    1.85   60.52     220
_  SER    55        30    0.34    3.93       0    0.      0.         0    0.      0.       230
_  VAL    56         5    0.60    2.55       0    0.      0.         5    0.60    2.55      60
_  ASN    57        22    1.59   15.17       0    0.      0.        15    1.59   14.58     170
_  LYS    58        22    1.59   13.86       0    0.      0.        10    1.59   12.03      90
_  GLU    59         1    0.03    0.03       0    0.      0.         0    0.      0.        90
_  GLU    60         4    0.26    0.53       0    0.      0.         0    0.      0.       140
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.        90
_  SER    62        15    0.75    5.97       0    0.      0.         8    0.75    4.81     140
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.        70
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.        30
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.        80
_  VAL    66         7    0.28    1.49       0    0.      0.         0    0.      0.        50
_  SER    67        22    1.01    9.48       0    0.      0.        10    1.01    7.46     160
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.        20
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.        40
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71         1    0.19    0.19       0    0.      0.         0    0.      0.       130
_  ALA    72         9    0.04    0.24       0    0.      0.         0    0.      0.       140
_  PRO    73         9    0.04    0.24       0    0.      0.         0    0.      0.       130
_  SER    74         5    0.47    0.95       0    0.      0.         1    0.47    0.47     160
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77        47    1.51   22.88       0    0.      0.        21    1.51   19.12     120
_  VAL    78        10    0.38    2.37       0    0.      0.         0    0.      0.        60
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.       120
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.        70
_  GLY    81        17    1.78   15.03       0    0.      0.        10    1.78   14.33     210
_  THR    82         6    0.22    0.43       0    0.      0.         0    0.      0.        70
_  LYS    83         3    0.49    0.55       0    0.      0.         1    0.49    0.49      60
_  LYS    84         3    0.49    0.55       0    0.      0.         1    0.49    0.49      40
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_01
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.15    1.15       0    0.      0.         1    1.15    1.15       8
_  TYR    10         8    1.68    5.40       0    0.      0.         4    1.68    4.74      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.20    0.20       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.20    0.20       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.60    0.60       0    0.      0.         1    0.60    0.60       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.28       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.42       0    0.      0.         2    0.68    1.17      18
_  PHE    21         6    3.18    6.78       0    0.      0.         4    3.18    6.39      21
_  GLN    22         1    0.08    0.08       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.03    1.66       0    0.      0.         2    1.03    1.47      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.19    1.19       0    0.      0.         1    1.19    1.19      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.06    0.06       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         2    0.04    0.05       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.18    6.88       0    0.      0.         5    3.18    6.88      21
_  GLY    45         2    0.19    0.22       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.60    0.60       0    0.      0.         1    0.60    0.60      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    0.96    1.69       0    0.      0.         2    0.96    1.59      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.19    0.19       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         8    1.68    6.79       0    0.      0.         6    1.68    6.41      22
_  SER    55         3    0.21    0.48       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.55    1.64       0    0.      0.         1    1.55    1.55      17
_  LYS    58         3    1.55    1.84       0    0.      0.         1    1.55    1.55       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         1    0.52    0.52       0    0.      0.         1    0.52    0.52      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.19    0.19       0    0.      0.         0    0.      0.         5
_  SER    67         3    0.96    1.69       0    0.      0.         2    0.96    1.59      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         1    0.19    0.19       0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.04    0.04       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.04    0.04       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.08    0.08       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         6    1.03    1.91       0    0.      0.         2    1.03    1.47      12
_  VAL    78         1    0.21    0.21       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.19    1.19       0    0.      0.         1    1.19    1.19      21
_  THR    82         1    0.06    0.06       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_02
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    0.85    0.85       0    0.      0.         1    0.85    0.85       8
_  TYR    10         6    0.87    2.45       0    0.      0.         2    0.87    1.58      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.22    0.22       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.22    0.22       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.64    0.64       0    0.      0.         1    0.64    0.64       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.68    1.00       0    0.      0.         1    0.68    0.68      31
_  ASP    20         2    0.68    0.97       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    3.02    6.04       0    0.      0.         3    3.02    5.43      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.42    2.81       0    0.      0.         3    1.42    2.81      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.44    1.44       0    0.      0.         1    1.44    1.44      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.01    0.01       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.01    0.01       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.02    6.01       0    0.      0.         3    3.02    5.43      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.64    0.64       0    0.      0.         1    0.64    0.64      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         2    0.44    0.55       0    0.      0.         1    0.44    0.44      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         5    0.87    3.11       0    0.      0.         3    0.87    2.43      22
_  SER    55         4    0.26    0.58       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.57    1.68       0    0.      0.         1    1.57    1.57      17
_  LYS    58         3    1.57    1.81       0    0.      0.         1    1.57    1.57       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.26    0.26       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         0    0.      0.         0    0.      0.         0    0.      0.        14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         0    0.      0.         0    0.      0.         0    0.      0.         5
_  SER    67         2    0.44    0.55       0    0.      0.         1    0.44    0.44      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.02    0.02       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.02    0.02       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         5    1.42    3.02       0    0.      0.         3    1.42    2.81      12
_  VAL    78         1    0.20    0.20       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.44    1.44       0    0.      0.         1    1.44    1.44      21
_  THR    82         1    0.01    0.01       0    0.      0.         0    0.      0.         7
_  LYS    83         1    0.06    0.06       0    0.      0.         0    0.      0.         6
_  LYS    84         1    0.06    0.06       0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_03
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.10    1.10       0    0.      0.         1    1.10    1.10       8
_  TYR    10         8    1.23    4.45       0    0.      0.         4    1.23    3.76      26
_  ARG    11         1    0.06    0.06       0    0.      0.         0    0.      0.         6
_  GLU    12         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.69    0.69       0    0.      0.         1    0.69    0.69       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.66    1.08       0    0.      0.         2    0.66    1.08      31
_  ASP    20         1    0.66    0.66       0    0.      0.         1    0.66    0.66      18
_  PHE    21         6    3.32    7.47       0    0.      0.         5    3.32    7.28      21
_  GLN    22         1    0.34    0.34       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    0.87    1.10       0    0.      0.         1    0.87    0.87      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         2    0.21    0.25       0    0.      0.         0    0.      0.        29
_  PRO    29         2    1.76    1.79       0    0.      0.         1    1.76    1.76      10
_  ASP    30         1    0.04    0.04       0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         0    0.      0.         0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         0    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         4    3.32    6.86       0    0.      0.         4    3.32    6.86      21
_  GLY    45         1    0.19    0.19       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.69    0.69       0    0.      0.         1    0.69    0.69      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.26    0.51       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         7    1.23    5.44       0    0.      0.         5    1.23    4.86      22
_  SER    55         3    0.10    0.17       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.57    1.68       0    0.      0.         1    1.57    1.57      17
_  LYS    58         2    1.57    1.68       0    0.      0.         1    1.57    1.57       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         1    0.27    0.27       0    0.      0.         0    0.      0.        14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.26    0.26       0    0.      0.         0    0.      0.         5
_  SER    67         0    0.      0.         0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.03    0.03       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.34    0.34       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         4    0.87    1.31       0    0.      0.         1    0.87    0.87      12
_  VAL    78         1    0.21    0.21       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         3    1.76    2.01       0    0.      0.         1    1.76    1.76      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_04
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.18    1.18       0    0.      0.         1    1.18    1.18       8
_  TYR    10         8    1.69    5.45       0    0.      0.         4    1.69    4.76      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.13    0.13       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.13    0.13       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.71    0.71       0    0.      0.         1    0.71    0.71       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.28       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.24       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    3.00    6.18       0    0.      0.         3    3.00    5.47      21
_  GLN    22         1    0.47    0.47       0    0.      0.         1    0.47    0.47       8
_  GLU    23         1    0.08    0.08       0    0.      0.         0    0.      0.         9
_  GLU    24         1    0.08    0.08       0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.51    2.84       0    0.      0.         3    1.51    2.84      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         2    1.48    1.56       0    0.      0.         1    1.48    1.48      10
_  ASP    30         1    0.08    0.08       0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         0    0.      0.         0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         2    0.09    0.10       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.00    6.14       0    0.      0.         3    3.00    5.47      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.71    0.71       0    0.      0.         1    0.71    0.71      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         1    0.27    0.27       0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.10    0.10       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.69    6.93       0    0.      0.         6    1.69    6.52      22
_  SER    55         3    0.34    0.67       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.59    1.74       0    0.      0.         1    1.59    1.59      17
_  LYS    58         3    1.59    2.08       0    0.      0.         1    1.59    1.59       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.58    0.63       0    0.      0.         1    0.58    0.58      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.10    0.10       0    0.      0.         0    0.      0.         5
_  SER    67         1    0.27    0.27       0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         0    0.      0.         0    0.      0.         0    0.      0.        14
_  PRO    73         0    0.      0.         0    0.      0.         0    0.      0.        13
_  SER    74         1    0.47    0.47       0    0.      0.         1    0.47    0.47      16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         6    1.51    3.25       0    0.      0.         3    1.51    2.84      12
_  VAL    78         1    0.31    0.31       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.48    1.48       0    0.      0.         1    1.48    1.48      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         1    0.49    0.49       0    0.      0.         1    0.49    0.49       6
_  LYS    84         1    0.49    0.49       0    0.      0.         1    0.49    0.49       4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_05
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.32    1.32       0    0.      0.         1    1.32    1.32       8
_  TYR    10         9    1.76    5.63       0    0.      0.         4    1.76    5.04      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.30    0.30       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.30    0.30       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.68    0.68       0    0.      0.         1    0.68    0.68       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.28       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.27       0    0.      0.         1    0.68    0.68      18
_  PHE    21         6    3.02    6.09       0    0.      0.         3    3.02    5.44      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.33    2.55       0    0.      0.         3    1.33    2.55      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.33    1.33       0    0.      0.         1    1.33    1.33      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.02    0.02       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.02    6.05       0    0.      0.         3    3.02    5.44      21
_  GLY    45         1    0.03    0.03       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.68    0.68       0    0.      0.         1    0.68    0.68      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    1.01    1.90       0    0.      0.         2    1.01    1.71      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.24    0.24       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.76    7.59       0    0.      0.         6    1.76    7.03      22
_  SER    55         3    0.31    0.48       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.53    1.59       0    0.      0.         1    1.53    1.53      17
_  LYS    58         3    1.53    1.90       0    0.      0.         1    1.53    1.53       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.66    0.83       0    0.      0.         1    0.66    0.66      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.24    0.24       0    0.      0.         0    0.      0.         5
_  SER    67         3    1.01    1.90       0    0.      0.         2    1.01    1.71      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.01    0.01       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.01    0.01       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         5    1.33    2.75       0    0.      0.         3    1.33    2.55      12
_  VAL    78         1    0.20    0.20       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.33    1.33       0    0.      0.         1    1.33    1.33      21
_  THR    82         1    0.02    0.02       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_06
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.28    1.28       0    0.      0.         1    1.28    1.28       8
_  TYR    10         9    1.85    5.57       0    0.      0.         4    1.85    4.86      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.14    0.14       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.14    0.14       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.53    0.53       0    0.      0.         1    0.53    0.53       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.25       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.23       0    0.      0.         1    0.68    0.68      18
_  PHE    21         6    2.96    5.86       0    0.      0.         3    2.96    5.23      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         4    1.47    3.13       0    0.      0.         3    1.47    3.13      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         2    1.59    1.59       0    0.      0.         1    1.59    1.59      10
_  ASP    30         1    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         0    0.      0.         0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.03    0.03       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    2.96    5.75       0    0.      0.         3    2.96    5.23      21
_  GLY    45         1    0.10    0.10       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.53    0.53       0    0.      0.         1    0.53    0.53      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         1    0.31    0.31       0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.28    0.37       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.85    7.08       0    0.      0.         6    1.85    6.72      22
_  SER    55         3    0.27    0.54       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.51    0.51       0    0.      0.         1    0.51    0.51       6
_  ASN    57         2    0.89    1.40       0    0.      0.         2    0.89    1.40      17
_  LYS    58         2    0.89    1.10       0    0.      0.         1    0.89    0.89       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.58    0.66       0    0.      0.         1    0.58    0.58      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.28    0.28       0    0.      0.         0    0.      0.         5
_  SER    67         1    0.31    0.31       0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.      0.         0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.      0.         0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         5    1.47    3.34       0    0.      0.         3    1.47    3.13      12
_  VAL    78         1    0.18    0.18       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.59    1.59       0    0.      0.         1    1.59    1.59      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_07
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.25    1.25       0    0.      0.         1    1.25    1.25       8
_  TYR    10         9    1.85    5.77       0    0.      0.         4    1.85    5.04      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.14    0.14       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.14    0.14       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.64    0.64       0    0.      0.         1    0.64    0.64       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.29       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.32       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    3.01    6.07       0    0.      0.         3    3.01    5.41      21
_  GLN    22         1    0.03    0.03       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.41    2.53       0    0.      0.         2    1.41    2.14      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         1    0.20    0.20       0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.78    1.78       0    0.      0.         1    1.78    1.78      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         1    0.10    0.10       0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.01    0.01       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         1    0.01    0.01       0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         2    0.07    0.09       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.01    6.10       0    0.      0.         3    3.01    5.41      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.64    0.64       0    0.      0.         1    0.64    0.64      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    0.97    1.67       0    0.      0.         2    0.97    1.60      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.21    0.26       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.85    7.45       0    0.      0.         6    1.85    6.90      22
_  SER    55         3    0.25    0.31       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.47    0.47       0    0.      0.         1    0.47    0.47       6
_  ASN    57         2    0.82    1.29       0    0.      0.         2    0.82    1.29      17
_  LYS    58         1    0.82    0.82       0    0.      0.         1    0.82    0.82       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.61    0.76       0    0.      0.         1    0.61    0.61      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.21    0.21       0    0.      0.         0    0.      0.         5
_  SER    67         3    0.97    1.67       0    0.      0.         2    0.97    1.60      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.03    0.03       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.03    0.03       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         6    1.41    2.90       0    0.      0.         2    1.41    2.14      12
_  VAL    78         1    0.29    0.29       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         3    1.78    2.08       0    0.      0.         1    1.78    1.78      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_08
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.29    1.29       0    0.      0.         1    1.29    1.29       8
_  TYR    10         7    1.43    4.61       0    0.      0.         4    1.43    4.10      26
_  ARG    11         1    0.06    0.06       0    0.      0.         0    0.      0.         6
_  GLU    12         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.65    0.65       0    0.      0.         1    0.65    0.65       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.68    0.98       0    0.      0.         1    0.68    0.68      31
_  ASP    20         2    0.68    1.00       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    2.98    5.90       0    0.      0.         3    2.98    5.34      21
_  GLN    22         1    0.03    0.03       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.45    2.78       0    0.      0.         3    1.45    2.78      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         1    0.01    0.01       0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.20    1.20       0    0.      0.         1    1.20    1.20      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.01    0.01       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         0    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    2.98    5.92       0    0.      0.         3    2.98    5.34      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.65    0.65       0    0.      0.         1    0.65    0.65      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         1    0.05    0.05       0    0.      0.         0    0.      0.         7
_  ILE    50         2    0.39    0.52       0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.24    0.24       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54        10    1.43    6.75       0    0.      0.         6    1.43    6.14      22
_  SER    55         3    0.08    0.17       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.60    0.60       0    0.      0.         1    0.60    0.60       6
_  ASN    57         4    0.79    1.43       0    0.      0.         2    0.79    1.38      17
_  LYS    58         3    0.79    0.90       0    0.      0.         1    0.79    0.79       9
_  GLU    59         1    0.03    0.03       0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.75    1.07       0    0.      0.         1    0.75    0.75      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         0    0.      0.         0    0.      0.         0    0.      0.         5
_  SER    67         3    0.39    0.56       0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.03    0.03       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.03    0.03       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         4    1.45    3.05       0    0.      0.         3    1.45    2.78      12
_  VAL    78         1    0.26    0.26       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         2    1.20    1.22       0    0.      0.         1    1.20    1.20      21
_  THR    82         1    0.01    0.01       0    0.      0.         0    0.      0.         7
_  LYS    83         1    0.01    0.01       0    0.      0.         0    0.      0.         6
_  LYS    84         1    0.01    0.01       0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_09
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.19    1.19       0    0.      0.         1    1.19    1.19       8
_  TYR    10         7    1.71    5.63       0    0.      0.         4    1.71    4.96      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.24    0.24       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.24    0.24       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.63    0.63       0    0.      0.         1    0.63    0.63       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.69    1.31       0    0.      0.         1    0.69    0.69      31
_  ASP    20         3    0.69    1.17       0    0.      0.         1    0.69    0.69      18
_  PHE    21         7    1.76    3.93       0    0.      0.         2    1.76    2.43      21
_  GLN    22         1    0.48    0.48       0    0.      0.         1    0.48    0.48       8
_  GLU    23         1    0.48    0.48       0    0.      0.         1    0.48    0.48       9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    0.52    0.73       0    0.      0.         1    0.52    0.52      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.26    1.26       0    0.      0.         1    1.26    1.26      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         1    0.06    0.06       0    0.      0.         0    0.      0.        23
_  ALA    32         2    0.22    0.40       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         1    0.18    0.18       0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         0    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         7    1.76    3.54       0    0.      0.         2    1.76    2.43      21
_  GLY    45         2    0.37    0.49       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.63    0.63       0    0.      0.         1    0.63    0.63      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    0.99    1.73       0    0.      0.         2    0.99    1.64      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.21    0.21       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         8    1.71    7.16       0    0.      0.         6    1.71    6.65      22
_  SER    55         2    0.16    0.27       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.48    0.48       0    0.      0.         1    0.48    0.48       6
_  ASN    57         2    0.86    1.33       0    0.      0.         2    0.86    1.33      17
_  LYS    58         1    0.86    0.86       0    0.      0.         1    0.86    0.86       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.11    0.11       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         1    0.50    0.50       0    0.      0.         1    0.50    0.50      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.21    0.21       0    0.      0.         0    0.      0.         5
_  SER    67         3    0.99    1.73       0    0.      0.         2    0.99    1.64      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.04    0.04       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.04    0.04       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         3    0.52    1.11       0    0.      0.         1    0.52    0.52      12
_  VAL    78         1    0.38    0.38       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         2    1.26    1.33       0    0.      0.         1    1.26    1.26      21
_  THR    82         1    0.22    0.22       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_10
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.42    1.42       0    0.      0.         1    1.42    1.42       8
_  TYR    10         8    1.54    5.15       0    0.      0.         5    1.54    4.84      26
_  ARG    11         1    0.08    0.08       0    0.      0.         0    0.      0.         6
_  GLU    12         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.66    0.66       0    0.      0.         1    0.66    0.66       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.68    0.96       0    0.      0.         1    0.68    0.68      31
_  ASP    20         2    0.68    1.00       0    0.      0.         1    0.68    0.68      18
_  PHE    21         6    2.88    5.54       0    0.      0.         3    2.88    5.04      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         1    0.05    0.05       0    0.      0.         0    0.      0.        26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         1    0.08    0.08       0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.30    1.30       0    0.      0.         1    1.30    1.30      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.11    0.11       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.06    0.06       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    2.88    5.55       0    0.      0.         3    2.88    5.04      21
_  GLY    45         1    0.03    0.03       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.66    0.66       0    0.      0.         1    0.66    0.66      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         1    0.10    0.10       0    0.      0.         0    0.      0.         7
_  ILE    50         2    0.48    0.69       0    0.      0.         1    0.48    0.48      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.18    0.18       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.54    7.09       0    0.      0.         7    1.54    6.86      22
_  SER    55         3    0.13    0.24       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.50    0.50       0    0.      0.         1    0.50    0.50       6
_  ASN    57         2    0.87    1.37       0    0.      0.         2    0.87    1.37      17
_  LYS    58         1    0.87    0.87       0    0.      0.         1    0.87    0.87       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.13    0.13       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.60    0.74       0    0.      0.         1    0.60    0.60      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         0    0.      0.         0    0.      0.         0    0.      0.         5
_  SER    67         3    0.48    0.79       0    0.      0.         1    0.48    0.48      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.04    0.04       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.04    0.04       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         3    0.13    0.24       0    0.      0.         0    0.      0.        12
_  VAL    78         1    0.13    0.13       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         2    1.30    1.38       0    0.      0.         1    1.30    1.30      21
_  THR    82         1    0.11    0.11       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_ALL_STRUCTURES
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        2    0.01    0.01    0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.      1330
sequential       66    1.59   27.50    0.42    0.42    0.02    0.11       0    0.      0.      0.      0.      0.      0.        27    1.59   22.36    1730
    medium       26    0.41    6.20    0.24    0.11    0.02    0.07       0    0.      0.      0.      0.      0.      0.         1    0.41    0.41     330
      long      272    3.32  182.77    0.67    0.67    0.14    0.41       0    0.      0.      0.      0.      0.      0.       141    3.32  161.86    1330
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_01
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.55    2.82    0.47    0.53    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.55    2.23     173
    medium        3    0.36    0.75    0.25    0.07    0.02    0.08       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       30    3.18   19.68    0.66    0.68    0.15    0.42       0    0.      0.      0.      0.      0.      0.        17    3.18   18.14     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_02
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.57    2.64    0.44    0.55    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.57    2.25     173
    medium        3    0.32    0.66    0.22    0.08    0.02    0.07       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       22    3.02   15.03    0.68    0.68    0.11    0.38       0    0.      0.      0.      0.      0.      0.        12    3.02   13.20     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_03
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.57    2.61    0.44    0.55    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.57    2.23     173
    medium        1    0.41    0.41    0.41    0.      0.01    0.07       0    0.      0.      0.      0.      0.      0.         1    0.41    0.41      33
      long       25    3.32   17.32    0.69    0.76    0.13    0.43       0    0.      0.      0.      0.      0.      0.        12    3.32   15.04     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_04
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        8    1.59    3.63    0.45    0.47    0.02    0.14       0    0.      0.      0.      0.      0.      0.         3    1.59    2.76     173
    medium        3    0.35    0.83    0.28    0.10    0.03    0.08       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       26    3.00   19.37    0.75    0.69    0.15    0.42       0    0.      0.      0.      0.      0.      0.        15    3.00   17.48     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_05
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.53    2.76    0.46    0.53    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.53    2.21     173
    medium        3    0.32    0.94    0.31    0.01    0.03    0.09       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       29    3.02   20.58    0.71    0.68    0.15    0.43       0    0.      0.      0.      0.      0.      0.        16    3.02   18.75     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_06
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        1    0.01    0.01    0.01    0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        7    0.89    2.53    0.36    0.32    0.01    0.10       0    0.      0.      0.      0.      0.      0.         3    0.89    2.09     173
    medium        3    0.31    0.65    0.22    0.07    0.02    0.07       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       26    2.96   19.23    0.74    0.70    0.14    0.43       0    0.      0.      0.      0.      0.      0.        14    2.96   17.19     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_07
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    0.82    2.54    0.42    0.27    0.01    0.09       0    0.      0.      0.      0.      0.      0.         3    0.82    1.97     173
    medium        3    0.37    0.52    0.17    0.15    0.02    0.07       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       32    3.01   21.15    0.66    0.69    0.16    0.44       0    0.      0.      0.      0.      0.      0.        15    3.01   18.47     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_08
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        8    0.79    2.42    0.30    0.31    0.01    0.09       0    0.      0.      0.      0.      0.      0.         3    0.79    2.07     173
    medium        3    0.30    0.41    0.14    0.12    0.01    0.05       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       27    2.98   18.19    0.67    0.66    0.14    0.40       0    0.      0.      0.      0.      0.      0.        14    2.98   16.11     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_09
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        1    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        8    0.86    3.33    0.42    0.26    0.02    0.10       0    0.      0.      0.      0.      0.      0.         4    0.86    2.50     173
    medium        3    0.34    0.76    0.25    0.07    0.02    0.08       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       27    1.76   16.07    0.60    0.50    0.12    0.33       0    0.      0.      0.      0.      0.      0.        13    1.76   13.14     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_10
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        5    0.87    2.21    0.44    0.32    0.01    0.09       0    0.      0.      0.      0.      0.      0.         3    0.87    2.05     173
    medium        1    0.28    0.28    0.28    0.      0.01    0.05       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       28    2.88   16.15    0.58    0.66    0.12    0.38       0    0.      0.      0.      0.      0.      0.        13    2.88   14.34     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END


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