
DATA SEQUENCE MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL
DATA SEQUENCE EDGRTLSDYN IQKESTLHLV LRLRGG

VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d %6s %6s %5d %6s %6s %9.3f %9.3f %.2f

    2    GLN      N     2    GLN     HN   -15.524     1.000 1.00
    3    ILE      N     3    ILE     HN    10.521     1.000 1.00
    4    PHE      N     4    PHE     HN     9.648     1.000 1.00
    5    VAL      N     5    VAL     HN     6.082     1.000 1.00
    6    LYS      N     6    LYS     HN     3.854     1.000 1.00
    7    THR      N     7    THR     HN    -3.403     1.000 1.00
    8    LEU      N     8    LEU     HN    15.055     1.000 1.00
   10    GLY      N    10    GLY     HN     8.807     1.000 1.00
   11    LYS      N    11    LYS     HN   -16.938     1.000 1.00
   12    THR      N    12    THR     HN     2.505     1.000 1.00
   13    ILE      N    13    ILE     HN     0.700     1.000 1.00
   14    THR      N    14    THR     HN     6.435     1.000 1.00
   15    LEU      N    15    LEU     HN    14.197     1.000 1.00
   16    GLU      N    16    GLU     HN     0.077     1.000 1.00
   17    VAL      N    17    VAL     HN     1.964     1.000 1.00
   18    GLU      N    18    GLU     HN   -20.115     1.000 1.00
   20    SER      N    20    SER     HN   -12.089     1.000 1.00
   21    ASP      N    21    ASP     HN     4.583     1.000 1.00
   22    THR      N    22    THR     HN    23.730     1.000 1.00
   23    ILE      N    23    ILE     HN     3.832     1.000 1.00
   25    ASN      N    25    ASN     HN    -2.547     1.000 1.00
   26    VAL      N    26    VAL     HN     3.172     1.000 1.00
   27    LYS      N    27    LYS     HN     5.074     1.000 1.00
   28    ALA      N    28    ALA     HN    -1.758     1.000 1.00
   29    LYS      N    29    LYS     HN     2.717     1.000 1.00
   30    ILE      N    30    ILE     HN     3.619     1.000 1.00
   31    GLN      N    31    GLN     HN     4.870     1.000 1.00
   32    ASP      N    32    ASP     HN    -3.466     1.000 1.00
   33    LYS      N    33    LYS     HN     3.358     1.000 1.00
   34    GLU      N    34    GLU     HN     4.364     1.000 1.00
   35    GLY      N    35    GLY     HN   -13.489     1.000 1.00
   36    ILE      N    36    ILE     HN   -24.368     1.000 1.00
   39    ASP      N    39    ASP     HN    17.724     1.000 1.00
   40    GLN      N    40    GLN     HN     0.156     1.000 1.00
   41    GLN      N    41    GLN     HN    26.400     1.000 1.00
   42    ARG      N    42    ARG     HN    11.607     1.000 1.00
   43    LEU      N    43    LEU     HN    13.330     1.000 1.00
   44    ILE      N    44    ILE     HN     4.369     1.000 1.00
   45    PHE      N    45    PHE     HN    -2.996     1.000 1.00
   46    ALA      N    46    ALA     HN     1.186     1.000 1.00
   47    GLY      N    47    GLY     HN     4.386     1.000 1.00
   48    LYS      N    48    LYS     HN   -22.970     1.000 1.00
   49    GLN      N    49    GLN     HN    -2.830     1.000 1.00
   50    LEU      N    50    LEU     HN     3.921     1.000 1.00
   54    ARG      N    54    ARG     HN    -5.530     1.000 1.00
   55    THR      N    55    THR     HN     2.254     1.000 1.00
   56    LEU      N    56    LEU     HN    19.041     1.000 1.00
   57    SER      N    57    SER     HN    25.262     1.000 1.00
   58    ASP      N    58    ASP     HN    12.082     1.000 1.00
   59    TYR      N    59    TYR     HN    12.029     1.000 1.00
   60    ASN      N    60    ASN     HN    25.031     1.000 1.00
   61    ILE      N    61    ILE     HN    19.071     1.000 1.00
   62    GLN      N    62    GLN     HN    16.255     1.000 1.00
   63    LYS      N    63    LYS     HN   -15.433     1.000 1.00
   64    GLU      N    64    GLU     HN    22.597     1.000 1.00
   65    SER      N    65    SER     HN    19.752     1.000 1.00
   66    THR      N    66    THR     HN    16.216     1.000 1.00
   67    LEU      N    67    LEU     HN     8.135     1.000 1.00
   68    HIS      N    68    HIS     HN     4.568     1.000 1.00
   69    LEU      N    69    LEU     HN     6.565     1.000 1.00
   70    VAL      N    70    VAL     HN    13.497     1.000 1.00
   71    LEU      N    71    LEU     HN    21.297     1.000 1.00
   72    ARG      N    72    ARG     HN    12.554     1.000 1.00
#   73    LEU      N    73    LEU     HN    12.059     1.000 1.00
#   74    ARG      N    74    ARG     HN     6.600     1.000 1.00
#   75    GLY      N    75    GLY     HN     3.899     1.000 1.00
#   76    GLY      N    76    GLY     HN     1.700     1.000 1.00

    1    MET      C     2    GLN     HN     3.993     0.333 3.00
    2    GLN      C     3    ILE     HN    -5.646     0.333 3.00
    3    ILE      C     4    PHE     HN     1.041     0.333 3.00
    4    PHE      C     5    VAL     HN     0.835     0.333 3.00
    5    VAL      C     6    LYS     HN     3.259     0.333 3.00
    6    LYS      C     7    THR     HN     1.021     0.333 3.00
    7    THR      C     8    LEU     HN    -4.042     0.333 3.00
    8    LEU      C     9    THR     HN     3.814     0.333 3.00
   10    GLY      C    11    LYS     HN     2.512     0.333 3.00
   11    LYS      C    12    THR     HN    -5.694     0.333 3.00
   12    THR      C    13    ILE     HN     1.609     0.333 3.00
   13    ILE      C    14    THR     HN     1.459     0.333 3.00
   14    THR      C    15    LEU     HN     1.182     0.333 3.00
   15    LEU      C    16    GLU     HN     7.235     0.333 3.00
   16    GLU      C    17    VAL     HN    -0.056     0.333 3.00
   17    VAL      C    18    GLU     HN     0.489     0.333 3.00
   19    PRO      C    20    SER     HN     3.418     0.333 3.00
   20    SER      C    21    ASP     HN     3.741     0.333 3.00
   21    ASP      C    22    THR     HN     2.437     0.333 3.00
   22    THR      C    23    ILE     HN    -0.187     0.333 3.00
   24    GLU      C    25    ASN     HN    -6.731     0.333 3.00
   25    ASN      C    26    VAL     HN     3.860     0.333 3.00
   26    VAL      C    27    LYS     HN    -1.922     0.333 3.00
   27    LYS      C    28    ALA     HN     2.517     0.333 3.00
   28    ALA      C    29    LYS     HN    -2.903     0.333 3.00
   29    LYS      C    30    ILE     HN     2.894     0.333 3.00
   30    ILE      C    31    GLN     HN     5.152     0.333 3.00
   31    GLN      C    32    ASP     HN    -6.517     0.333 3.00
   32    ASP      C    33    LYS     HN     4.605     0.333 3.00
   33    LYS      C    34    GLU     HN    -0.232     0.333 3.00
   34    GLU      C    35    GLY     HN     4.548     0.333 3.00
   35    GLY      C    36    ILE     HN    -1.781     0.333 3.00
   38    PRO      C    39    ASP     HN    -1.927     0.333 3.00
   39    ASP      C    40    GLN     HN    -0.244     0.333 3.00
   40    GLN      C    41    GLN     HN     0.122     0.333 3.00
   41    GLN      C    42    ARG     HN     7.769     0.333 3.00
   42    ARG      C    43    LEU     HN     0.790     0.333 3.00
   43    LEU      C    44    ILE     HN     4.478     0.333 3.00
   44    ILE      C    45    PHE     HN    -0.583     0.333 3.00
   45    PHE      C    46    ALA     HN     3.023     0.333 3.00
   46    ALA      C    47    GLY     HN    -2.630     0.333 3.00
   47    GLY      C    48    LYS     HN    -2.103     0.333 3.00
   48    LYS      C    49    GLN     HN    -5.452     0.333 3.00
   49    GLN      C    50    LEU     HN     1.658     0.333 3.00
   50    LEU      C    51    GLU     HN    -1.243     0.333 3.00
   51    GLU      C    52    ASP     HN    -6.226     0.333 3.00
   53    GLY      C    54    ARG     HN     6.567     0.333 3.00
   54    ARG      C    55    THR     HN    -5.625     0.333 3.00
   55    THR      C    56    LEU     HN     1.062     0.333 3.00
   56    LEU      C    57    SER     HN     5.979     0.333 3.00
   57    SER      C    58    ASP     HN    -2.326     0.333 3.00
   58    ASP      C    59    TYR     HN     0.873     0.333 3.00
   59    TYR      C    60    ASN     HN    -0.113     0.333 3.00
   60    ASN      C    61    ILE     HN     5.566     0.333 3.00
   61    ILE      C    62    GLN     HN     7.349     0.333 3.00
   62    GLN      C    63    LYS     HN    -8.539     0.333 3.00
   63    LYS      C    64    GLU     HN     1.376     0.333 3.00
   64    GLU      C    65    SER     HN     5.740     0.333 3.00
   65    SER      C    66    THR     HN     5.040     0.333 3.00
   66    THR      C    67    LEU     HN     4.081     0.333 3.00
   67    LEU      C    68    HIS     HN    -2.661     0.333 3.00
   68    HIS      C    69    LEU     HN     0.280     0.333 3.00
   69    LEU      C    70    VAL     HN     1.377     0.333 3.00
   70    VAL      C    71    LEU     HN    -0.667     0.333 3.00
   71    LEU      C    72    ARG     HN     7.525     0.333 3.00
#   72    ARG      C    73    LEU     HN     1.537     0.333 3.00
#   73    LEU      C    74    ARG     HN     1.249     0.333 3.00
#   74    ARG      C    75    GLY     HN     0.866     0.333 3.00
#   75    GLY      C    76    GLY     HN    -0.809     0.333 3.00

    1    MET      C     2    GLN      N     2.651     0.125 8.00
    2    GLN      C     3    ILE      N    -3.768     0.125 8.00
    3    ILE      C     4    PHE      N     1.463     0.125 8.00
    4    PHE      C     5    VAL      N    -1.726     0.125 8.00
    5    VAL      C     6    LYS      N     1.352     0.125 8.00
    6    LYS      C     7    THR      N    -0.696     0.125 8.00
    7    THR      C     8    LEU      N    -3.206     0.125 8.00
    8    LEU      C     9    THR      N     1.211     0.125 8.00
   10    GLY      C    11    LYS      N     2.321     0.125 8.00
   11    LYS      C    12    THR      N    -3.149     0.125 8.00
   12    THR      C    13    ILE      N     1.827     0.125 8.00
   13    ILE      C    14    THR      N    -0.858     0.125 8.00
   14    THR      C    15    LEU      N     0.278     0.125 8.00
   15    LEU      C    16    GLU      N     2.775     0.125 8.00
   16    GLU      C    17    VAL      N     0.162     0.125 8.00
   17    VAL      C    18    GLU      N     1.249     0.125 8.00
   19    PRO      C    20    SER      N     3.187     0.125 8.00
   20    SER      C    21    ASP      N     0.706     0.125 8.00
   21    ASP      C    22    THR      N    -1.474     0.125 8.00
   22    THR      C    23    ILE      N    -0.348     0.125 8.00
   24    GLU      C    25    ASN      N    -3.659     0.125 8.00
   25    ASN      C    26    VAL      N     2.686     0.125 8.00
   26    VAL      C    27    LYS      N    -2.630     0.125 8.00
   27    LYS      C    28    ALA      N     2.118     0.125 8.00
   28    ALA      C    29    LYS      N    -1.855     0.125 8.00
   29    LYS      C    30    ILE      N     0.395     0.125 8.00
   30    ILE      C    31    GLN      N     1.295     0.125 8.00
   31    GLN      C    32    ASP      N    -2.654     0.125 8.00
   32    ASP      C    33    LYS      N     2.547     0.125 8.00
   33    LYS      C    34    GLU      N    -1.400     0.125 8.00
   34    GLU      C    35    GLY      N     2.778     0.125 8.00
   35    GLY      C    36    ILE      N     0.983     0.125 8.00
   38    PRO      C    39    ASP      N    -2.714     0.125 8.00
   39    ASP      C    40    GLN      N     0.584     0.125 8.00
   40    GLN      C    41    GLN      N    -2.739     0.125 8.00
   41    GLN      C    42    ARG      N     2.939     0.125 8.00
   42    ARG      C    43    LEU      N    -1.998     0.125 8.00
   43    LEU      C    44    ILE      N     2.028     0.125 8.00
   44    ILE      C    45    PHE      N    -0.527     0.125 8.00
   45    PHE      C    46    ALA      N     2.251     0.125 8.00
   46    ALA      C    47    GLY      N    -2.653     0.125 8.00
   47    GLY      C    48    LYS      N     1.446     0.125 8.00
   48    LYS      C    49    GLN      N    -1.872     0.125 8.00
   49    GLN      C    50    LEU      N     0.721     0.125 8.00
   50    LEU      C    51    GLU      N     1.070     0.125 8.00
   51    GLU      C    52    ASP      N    -0.024     0.125 8.00
   53    GLY      C    54    ARG      N     2.818     0.125 8.00
   54    ARG      C    55    THR      N    -3.380     0.125 8.00
   55    THR      C    56    LEU      N    -0.672     0.125 8.00
   56    LEU      C    57    SER      N    -0.067     0.125 8.00
   57    SER      C    58    ASP      N    -2.432     0.125 8.00
   58    ASP      C    59    TYR      N     0.546     0.125 8.00
   59    TYR      C    60    ASN      N    -2.717     0.125 8.00
   60    ASN      C    61    ILE      N     0.799     0.125 8.00
   61    ILE      C    62    GLN      N     0.957     0.125 8.00
   62    GLN      C    63    LYS      N    -2.688     0.125 8.00
   63    LYS      C    64    GLU      N    -0.763     0.125 8.00
   64    GLU      C    65    SER      N    -0.010     0.125 8.00
   65    SER      C    66    THR      N    -0.163     0.125 8.00
   66    THR      C    67    LEU      N     0.785     0.125 8.00
   67    LEU      C    68    HIS      N    -2.437     0.125 8.00
   68    HIS      C    69    LEU      N    -0.387     0.125 8.00
   69    LEU      C    70    VAL      N    -1.507     0.125 8.00
   70    VAL      C    71    LEU      N    -2.426     0.125 8.00
   71    LEU      C    72    ARG      N     1.847     0.125 8.00
#   72    ARG      C    73    LEU      N    -0.873     0.125 8.00
#   73    LEU      C    74    ARG      N    -0.060     0.125 8.00
#   74    ARG      C    75    GLY      N     0.056     0.125 8.00
#   75    GLY      C    76    GLY      N    -0.667     0.125 8.00

    1    MET     HA     1    MET     CA   -38.341     1.000 0.50
    2    GLN     HA     2    GLN     CA    11.662     1.000 0.50
    3    ILE     HA     3    ILE     CA    18.424     1.000 0.50
    4    PHE     HA     4    PHE     CA    26.733     1.000 0.50
    5    VAL     HA     5    VAL     CA    15.748     1.000 0.50
    6    LYS     HA     6    LYS     CA     2.509     1.000 0.50
    7    THR     HA     7    THR     CA    14.937     1.000 0.50
    9    THR     HA     9    THR     CA     3.565     1.000 0.50
   10    GLY    HA    10    GLY     CA    39.084     1.000 0.50
   11    LYS     HA    11    LYS     CA     1.056     1.000 0.50
   12    THR     HA    12    THR     CA    -6.117     1.000 0.50
   13    ILE     HA    13    ILE     CA     4.830     1.000 0.50
   14    THR     HA    14    THR     CA    23.574     1.000 0.50
   15    LEU     HA    15    LEU     CA    23.302     1.000 0.50
   16    GLU     HA    16    GLU     CA    13.206     1.000 0.50
   17    VAL     HA    17    VAL     CA    35.192     1.000 0.50
   18    GLU     HA    18    GLU     CA   -31.213     1.000 0.50
   19    PRO     HA    19    PRO     CA    15.647     1.000 0.50
   21    ASP     HA    21    ASP     CA    57.971     1.000 0.50
   22    THR     HA    22    THR     CA    17.773     1.000 0.50
   23    ILE     HA    23    ILE     CA     0.987     1.000 0.50
   24    GLU     HA    24    GLU     CA   -25.121     1.000 0.50
   25    ASN     HA    25    ASN     CA    19.752     1.000 0.50
   26    VAL     HA    26    VAL     CA   -26.411     1.000 0.50
   27    LYS     HA    27    LYS     CA    45.492     1.000 0.50
   28    ALA     HA    28    ALA     CA   -55.475     1.000 0.50
   29    LYS     HA    29    LYS     CA    36.762     1.000 0.50
   30    ILE     HA    30    ILE     CA    -4.611     1.000 0.50
   31    GLN     HA    31    GLN     CA   -12.929     1.000 0.50
   33    LYS     HA    33    LYS     CA     5.559     1.000 0.50
   34    GLU     HA    34    GLU     CA    13.469     1.000 0.50
   35    GLY    HA#    35    GLY     CA    46.334     1.000 0.50
   36    ILE     HA    36    ILE     CA   -53.291     1.000 0.50
   37    PRO     HA    37    PRO     CA     8.596     1.000 0.50
   38    PRO     HA    38    PRO     CA     7.347     1.000 0.50
   39    ASP     HA    39    ASP     CA    -3.574     1.000 0.50
   40    GLN     HA    40    GLN     CA   -29.880     1.000 0.50
   41    GLN     HA    41    GLN     CA    34.516     1.000 0.50
   42    ARG     HA    42    ARG     CA    33.353     1.000 0.50
   43    LEU     HA    43    LEU     CA    21.354     1.000 0.50
   44    ILE     HA    44    ILE     CA    11.563     1.000 0.50
   45    PHE     HA    45    PHE     CA    14.761     1.000 0.50
   46    ALA     HA    46    ALA     CA    38.011     1.000 0.50
   47    GLY    HA#    47    GLY     CA    14.900     1.000 0.50
   48    LYS     HA    48    LYS     CA   -31.355     1.000 0.50
   49    GLN     HA    49    GLN     CA     6.080     1.000 0.50
   50    LEU     HA    50    LEU     CA    -9.584     1.000 0.50
   51    GLU     HA    51    GLU     CA   -51.584     1.000 0.50
   52    ASP     HA    52    ASP     CA   -12.868     1.000 0.50
   53    GLY    HA#    53    GLY     CA    31.918     1.000 0.50
   54    ARG     HA    54    ARG     CA     7.463     1.000 0.50
   55    THR     HA    55    THR     CA     6.381     1.000 0.50
   56    LEU     HA    56    LEU     CA   -12.875     1.000 0.50
   57    SER     HA    57    SER     CA    18.015     1.000 0.50
   59    TYR     HA    59    TYR     CA     6.607     1.000 0.50
   60    ASN     HA    60    ASN     CA   -11.813     1.000 0.50
   61    ILE     HA    61    ILE     CA    55.088     1.000 0.50
   62    GLN     HA    62    GLN     CA    35.232     1.000 0.50
   63    LYS     HA    63    LYS     CA     9.259     1.000 0.50
   64    GLU     HA    64    GLU     CA    -0.698     1.000 0.50
   65    SER     HA    65    SER     CA    52.630     1.000 0.50
   66    THR     HA    66    THR     CA    34.184     1.000 0.50
   67    LEU     HA    67    LEU     CA    21.669     1.000 0.50
   68    HIS     HA    68    HIS     CA     3.373     1.000 0.50
   69    LEU     HA    69    LEU     CA    22.029     1.000 0.50
   70    VAL     HA    70    VAL     CA    23.572     1.000 0.50

    1    MET     CA     1    MET      C    -3.351     0.200 5.00
    2    GLN     CA     2    GLN      C     0.820     0.200 5.00
    3    ILE     CA     3    ILE      C    -1.838     0.200 5.00
    5    VAL     CA     5    VAL      C     0.914     0.200 5.00
    6    LYS     CA     6    LYS      C    -5.578     0.200 5.00
    7    THR     CA     7    THR      C     2.130     0.200 5.00
    9    THR     CA     9    THR      C    -3.261     0.200 5.00
   10    GLY     CA    10    GLY      C    -1.179     0.200 5.00
   12    THR     CA    12    THR      C     4.330     0.200 5.00
   13    ILE     CA    13    ILE      C    -3.993     0.200 5.00
   14    THR     CA    14    THR      C     5.016     0.200 5.00
   15    LEU     CA    15    LEU      C    -5.025     0.200 5.00
   16    GLU     CA    16    GLU      C     1.228     0.200 5.00
   17    VAL     CA    17    VAL      C    -3.807     0.200 5.00
   19    PRO     CA    19    PRO      C     0.200     0.200 5.00
   20    SER     CA    20    SER      C    -4.479     0.200 5.00
   21    ASP     CA    21    ASP      C    -2.227     0.200 5.00
   22    THR     CA    22    THR      C    -0.023     0.200 5.00
   24    GLU     CA    24    GLU      C    -0.684     0.200 5.00
   25    ASN     CA    25    ASN      C     3.466     0.200 5.00
   27    LYS     CA    27    LYS      C     3.381     0.200 5.00
   28    ALA     CA    28    ALA      C    -0.940     0.200 5.00
   29    LYS     CA    29    LYS      C     1.624     0.200 5.00
   30    ILE     CA    30    ILE      C    -1.695     0.200 5.00
   31    GLN     CA    31    GLN      C     0.470     0.200 5.00
   32    ASP     CA    32    ASP      C     2.743     0.200 5.00
   33    LYS     CA    33    LYS      C    -2.706     0.200 5.00
   35    GLY     CA    35    GLY      C    -2.006     0.200 5.00
   39    ASP     CA    39    ASP      C     3.957     0.200 5.00
   40    GLN     CA    40    GLN      C    -0.668     0.200 5.00
   42    ARG     CA    42    ARG      C    -3.514     0.200 5.00
   43    LEU     CA    43    LEU      C     2.501     0.200 5.00
   46    ALA     CA    46    ALA      C    -3.957     0.200 5.00
   47    GLY     CA    47    GLY      C     2.333     0.200 5.00
   48    LYS     CA    48    LYS      C     3.180     0.200 5.00
   49    GLN     CA    49    GLN      C     1.644     0.200 5.00
   50    LEU     CA    50    LEU      C     1.697     0.200 5.00
   51    GLU     CA    51    GLU      C     3.406     0.200 5.00
   53    GLY     CA    53    GLY      C    -3.885     0.200 5.00
   55    THR     CA    55    THR      C     4.991     0.200 5.00
   56    LEU     CA    56    LEU      C    -1.481     0.200 5.00
   57    SER     CA    57    SER      C    -0.164     0.200 5.00
   58    ASP     CA    58    ASP      C     4.846     0.200 5.00
   59    TYR     CA    59    TYR      C    -1.845     0.200 5.00
   60    ASN     CA    60    ASN      C     1.400     0.200 5.00
   61    ILE     CA    61    ILE      C    -4.590     0.200 5.00
   63    LYS     CA    63    LYS      C     2.814     0.200 5.00
   64    GLU     CA    64    GLU      C    -1.412     0.200 5.00
   65    SER     CA    65    SER      C    -3.864     0.200 5.00
   66    THR     CA    66    THR      C    -3.358     0.200 5.00
   67    LEU     CA    67    LEU      C    -3.673     0.200 5.00
   68    HIS     CA    68    HIS      C     0.030     0.200 5.00
   69    LEU     CA    69    LEU      C    -3.406     0.200 5.00
   70    VAL     CA    70    VAL      C     1.732     0.200 5.00

