DSSP OUTPUT


==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1                          ==== DATE=2019-06-21      .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637                                                              .
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COMPND                                                                                                                         .
SOURCE                                                                                                                         .
AUTHOR                                                                                                                         .
  136  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  6779.9   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   77 56.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J)  , SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS IN     PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES                              .
    5  3.7   TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES                              .
    1  0.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES                              .
    9  6.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    5  3.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   52 38.2   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    3  2.2   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES                              .
  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30     *** HISTOGRAMS OF ***           .
  0  0  0  0  0  1  4  0  0  1  1  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    RESIDUES PER ALPHA HELIX         .
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    PARALLEL BRIDGES PER LADDER      .
  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    ANTIPARALLEL BRIDGES PER LADDER  .
  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    LADDERS PER SHEET                .
  #  RESIDUE AA STRUCTURE BP1 BP2  ACC     N-H-->O    O-->H-N    N-H-->O    O-->H-N    TCO  KAPPA ALPHA  PHI   PSI    X-CA   Y-CA   Z-CA            CHAIN AUTHCHAIN
    1    1   M              0   0  104      0, 0.0    11,-0.2     0, 0.0     7,-0.2   0.000 360.0 360.0 360.0-170.6    0.7   -4.3  -23.9                           
    2    2   A        +     0   0   36      6,-0.3     2,-0.8     1,-0.2     3,-0.3   0.928 360.0  51.4 -63.7 -37.4   -1.5   -1.5  -25.1                           
    3    3   T        +     0   0  111      1,-0.2    -1,-0.2     5,-0.2    95,-0.0  -0.868  42.8 138.9-104.3 113.0   -4.4   -4.0  -25.6                           
    4    4   T  S    S-     0   0   23     -2,-0.8    -1,-0.2   110,-0.1    -2,-0.1   0.429 104.6 -68.0 -81.9 -13.1   -5.4   -6.2  -23.0                           
    5    5   K  S    S-     0   0  112     -3,-0.3    -2,-0.0   109,-0.1   106,-0.0  -0.423 106.1 -40.4 141.9 -59.8   -8.8   -5.4  -24.2                           
    6    6   G  S    S+     0   0    0      2,-0.1     5,-0.1   113,-0.0    -3,-0.1   0.325 108.0 103.2-162.3  34.2   -8.4   -2.0  -22.9                           
    7    7   L  S  > S-     0   0    1    110,-0.1     4,-0.6    91,-0.1    10,-0.1   0.958  79.0-158.4 -58.5 -42.3   -6.5   -1.7  -19.5                           
    8    8   K  H  >  -     0   0   45     -7,-0.2     4,-3.4    -6,-0.2    -6,-0.3   0.076  27.1 -63.9  84.3 171.7   -4.0   -0.8  -22.1                           
    9    9   C  H  > S+     0   0   20      1,-0.3     4,-3.7     2,-0.2     5,-0.2   0.823 131.6  48.8 -60.2 -44.0   -0.2   -0.9  -21.5                           
   10   10   V  H  > S+     0   0    0      2,-0.2     4,-4.1     1,-0.2     6,-0.3   0.942 115.0  48.6 -57.7 -44.9    0.2    1.7  -18.8                           
   11   11   V  H  X>S+     0   0    0     -4,-0.6     5,-1.2     1,-0.3     4,-0.8   0.922 116.3  41.9 -69.9 -46.5   -2.6    0.1  -17.0                           
   12   12   L  H ><5S+     0   0    0     -4,-3.4     3,-0.7   -11,-0.2    -1,-0.3   0.942 117.0  45.0 -62.5 -44.7   -1.2   -3.3  -17.4                           
   13   13   C  H 3<5S+     0   0    0     -4,-3.7    -2,-0.2     1,-0.2    -1,-0.2   0.892 115.9  47.3 -63.2 -41.6    2.4   -2.4  -16.7                           
   14   14   V  H 3<5S-     0   0    0     -4,-4.1     6,-0.7    -5,-0.2    62,-0.3   0.390 118.3-102.8 -89.6   4.9    1.5   -0.3  -13.7                           
   15   15   L  T <<5 -     0   0    1     -4,-0.8     4,-0.4    -3,-0.7    -3,-0.2   0.650  68.4 -94.9  77.1  14.6   -0.8   -2.7  -12.0                           
   16   16   V  S    S+     0   0    0     -7,-0.1     4,-1.6    -4,-0.1    -1,-0.3   0.196  90.8  20.2-168.0-132.0   -4.6    1.4   -9.5                           
   19   19   L  H  > S+     0   0    1     -3,-0.4     4,-2.5    -4,-0.4     5,-0.1   0.936 119.7  29.3 -57.4 -59.7   -1.2    2.0   -8.1                           
   20   20   V  H  > S+     0   0    0     -6,-0.7     4,-1.2     1,-0.3    -1,-0.2   0.958 132.0  31.8 -76.7 -49.9    0.5    4.4  -10.5                           
   21   21   L  H  > S+     0   0    2      1,-0.2     4,-2.3     2,-0.2    -1,-0.3   0.792 115.3  62.0 -78.4 -22.0   -2.3    6.4  -11.8                           
   22   22   G  H  X S+     0   0    0     -4,-1.6     4,-1.8     2,-0.3    -2,-0.2   0.867  97.0  57.6 -62.0 -36.5   -4.0    5.9   -8.5                           
   23   23   Q  H  < S+     0   0    3     -4,-2.5     3,-0.2   113,-0.3    -1,-0.2   0.917 109.6  45.2 -57.1 -44.4   -1.3    7.8   -7.0                           
   24   24   V  H  < S+     0   0   66     -4,-1.2    -2,-0.3     1,-0.2    -1,-0.2   0.867 101.6  63.8 -62.2 -41.1   -2.3   10.5   -9.4                           
   25   25   Q  H  < S-     0   0  100     -4,-2.3    -1,-0.2    -7,-0.2    -2,-0.2   0.776 139.3 -51.6 -57.4 -31.3   -5.9   10.0   -8.5                           
   26   26   V  S  < S-     0   0   95     -4,-1.8     2,-0.3    -3,-0.2    -3,-0.1  -0.151  80.6 -67.9-156.3 -80.1   -4.5   11.1   -5.2                           
   27   27   E        +     0   0   94     -5,-0.2    38,-0.1     1,-0.1    -3,-0.1  -0.912  64.2  58.6-160.6 163.8   -1.6   10.1   -3.1                           
   28   28   G        -     0   0   14     -2,-0.3     2,-0.5    36,-0.3    36,-0.2   0.426  62.1 -70.1  91.4 164.3   -0.4    7.4   -1.2                           
   29   29   K  B     -A   63   0A  34     34,-2.7    34,-2.2     1,-0.1    36,-0.1  -0.762   7.5-167.1-121.7 122.4    0.5    4.0   -0.9                           
   30   30   S        -     0   0    0     -2,-0.5    -1,-0.1    32,-0.2    45,-0.1   0.876  45.2-165.1 -59.0 -40.7   -1.5    0.7   -0.9                           
   31   31   C        -     0   0    2     42,-0.2    29,-0.2    29,-0.2    41,-0.2   0.289   8.3-156.6  67.2 160.9    1.7   -0.9    0.3                           
   32   32   C        -     0   0    0     39,-2.1     2,-0.2    36,-0.2     3,-0.1  -0.981  36.2-140.0-160.5 176.1    2.3   -4.5    0.3                           
   33   33   P  S    S-     0   0   38      0, 0.0     5,-0.2     0, 0.0    27,-0.1  -0.062  80.8 -27.0 -82.8-159.0    3.5   -8.0    1.0                           
   34   34   S  S >> S-     0   0   62     -2,-0.2     3,-1.6     3,-0.1     4,-1.4   0.114  77.0 -85.7 -71.3 171.2    4.1  -10.1   -2.0                           
   35   35   T  H 3> S+     0   0   40      1,-0.3     4,-2.8     2,-0.2     5,-0.2   0.703 122.9  61.4 -61.1 -37.1    2.4  -10.0   -5.3                           
   36   36   S  H 3> S+     0   0   76      2,-0.2     4,-1.3     1,-0.2    -1,-0.3   0.882 106.2  46.5 -59.1 -44.8   -0.5  -12.1   -4.3                           
   37   37   A  H <> S+     0   0    7     -3,-1.6     4,-2.0     1,-0.2    -2,-0.2   0.897 112.9  48.7 -63.4 -40.5   -1.5   -9.6   -1.6                           
   38   38   R  H  X S+     0   0    0     -4,-1.4     4,-3.9     2,-0.2     5,-0.2   0.894 100.9  63.0 -67.3 -36.3   -1.2   -6.7   -3.9                           
   39   39   N  H  X S+     0   0   43     -4,-2.8     4,-3.1     1,-0.2    -1,-0.2   0.921 109.8  46.4 -56.0 -37.5   -3.3   -8.6   -6.5                           
   40   40   C  H  X S+     0   0   45     -4,-1.3     4,-3.0     2,-0.3     5,-0.3   0.889 107.6  49.7 -60.1 -46.4   -5.9   -8.3   -3.7                           
   41   41   Y  H  X S+     0   0    0     -4,-2.0     4,-2.9     1,-0.2    -2,-0.2   0.953 119.2  45.9 -59.8 -38.0   -5.4   -4.7   -2.9                           
   42   42   N  H  X S+     0   0    0     -4,-3.9     4,-2.2     2,-0.2    -2,-0.3   0.943 114.1  41.4 -69.9 -48.7   -5.8   -4.4   -6.7                           
   43   43   V  H  X S+     0   0   47     -4,-3.1     4,-2.0    -5,-0.2    -1,-0.2   0.911 118.0  50.3 -63.7 -41.5   -8.7   -6.5   -7.2                           
   44   44   C  H  X>S+     0   0    9     -4,-3.0     4,-1.4     1,-0.2     5,-0.8   0.894 110.2  50.5 -59.2 -45.9  -10.4   -5.0   -4.1                           
   45   45   R  H  <5S+     0   0   34     -4,-2.9     4,-0.3    -5,-0.3     3,-0.3   0.908 109.0  50.8 -61.5 -43.1   -9.6   -1.6   -5.3                           
   46   46   L  H  <5S+     0   0   21     -4,-2.2    -2,-0.2     1,-0.3    -1,-0.2   0.867 100.4  60.5 -59.6 -42.7  -11.1   -2.3   -8.7                           
   47   47   T  H  <5S-     0   0   96     -4,-2.0    -1,-0.3    -5,-0.1    -2,-0.2   0.900 124.2-110.4 -57.1 -39.0  -14.3   -3.6   -7.2                           
   48   48   G  T  <5 +     0   0   59     -4,-1.4     2,-0.3    -3,-0.3    -3,-0.2   0.847  64.9 140.9 109.3  65.1  -14.4   -0.0   -5.8                           
   49   49   T      < -     0   0   58     -5,-0.8    -1,-0.2    -4,-0.3     5,-0.1  -0.905  53.2 -69.3-134.4 159.8  -13.9   -0.2   -2.2                           
   50   50   S     >  -     0   0   40     -2,-0.3     4,-2.2     1,-0.1     5,-0.2  -0.042  33.5-130.2 -61.2 141.5  -12.1    1.7    0.5                           
   51   51   R  H  > S+     0   0   54      1,-0.2     4,-2.0     2,-0.2     5,-0.2   0.887 107.4  50.1 -47.2 -51.0   -8.4    1.8    0.7                           
   52   52   P  H  > S+     0   0   84      0, 0.0     4,-1.8     0, 0.0    -1,-0.2   0.919 111.8  48.0 -57.3 -43.3   -8.3    0.9    4.4                           
   53   53   R  H  > S+     0   0  175      1,-0.2     4,-2.2     2,-0.2    -2,-0.2   0.870 110.0  54.0 -64.4 -37.1  -10.6   -2.2    3.9                           
   54   54   C  H  X S+     0   0    0     -4,-2.2     4,-1.5     2,-0.2    -1,-0.2   0.895 104.9  54.0 -63.6 -39.7   -8.5   -3.3    0.8                           
   55   55   A  H  < S+     0   0    4     -4,-2.0     3,-0.3    -5,-0.2    -1,-0.2   0.945 112.4  45.4 -58.1 -46.9   -5.4   -3.2    3.0                           
   56   56   S  H  < S+     0   0  100     -4,-1.8    -2,-0.2     1,-0.2    -1,-0.2   0.859 105.3  57.9 -63.0 -40.0   -7.2   -5.5    5.3                           
   57   57   L  H  < S+     0   0  102     -4,-2.2    -1,-0.2   -17,-0.1    -2,-0.2   0.750 120.7  27.0 -59.4 -32.3   -8.5   -7.8    2.7                           
   58   58   C  S  < S-     0   0   23     -4,-1.5   -20,-0.1    -3,-0.3   -21,-0.1   0.303 102.8 -89.4 -90.2-147.7   -5.0   -8.4    1.7                           
   59   59   G  S    S+     0   0   42    -25,-0.2   -27,-0.1   -28,-0.1    -4,-0.1   0.745  89.5  98.9 -66.6 -42.6   -1.8   -8.3    3.6                           
   60   60   C        -     0   0    3    -29,-0.2     2,-0.4    -6,-0.1    -2,-0.2   0.397  59.3-140.4 -79.9 175.1   -1.1   -4.8    2.9                           
   61   61   K        -     0   0  114     10,-0.2    -1,-0.1     7,-0.1   -29,-0.1  -0.966  15.9-129.9-133.4 127.0   -1.5   -1.7    4.8                           
   62   62   I        +     0   0   35     -2,-0.4     2,-0.3   -10,-0.2   -32,-0.2  -0.419  33.0 167.5 -68.3 141.2   -2.5    1.7    3.5                           
   63   63   V  B     -A   29   0A  34    -34,-2.2   -34,-2.7     2,-0.1     4,-0.1  -0.962  37.8-141.8-145.6 152.6   -0.5    4.6    4.4                           
   64   64   D  S    S+     0   0  110     -2,-0.3   -36,-0.3   -36,-0.2    -1,-0.1   0.758  95.3  33.4 -60.3 -37.4   -0.2    8.1    3.3                           
   65   65   G  S    S-     0   0   47      1,-0.3     2,-0.4   -37,-0.1   -37,-0.1   0.815 119.8 -30.1 -92.7 -94.2    3.5    8.4    3.5                           
   66   66   T        -     0   0   93    -38,-0.1    -1,-0.3    -4,-0.1    -2,-0.1  -0.978  63.1 -99.1-135.3 156.6    5.5    5.4    2.7                           
   67   67   C        -     0   0    7     -2,-0.4     5,-0.1     1,-0.1   -36,-0.1  -0.269  42.7-111.2 -64.5 141.6    5.0    1.7    3.0                           
   68   68   P        -     0   0   50      0, 0.0   -36,-0.2     0, 0.0    -1,-0.1  -0.304  25.4-110.7 -70.3 158.7    6.5    0.0    5.9                           
   69   69   D  S >  S+     0   0  159      1,-0.2     3,-1.6     2,-0.2    -2,-0.1   0.896 126.1  51.7 -59.1 -40.1    9.4   -2.4    5.4                           
   70   70   G  T 3  S+     0   0   67      1,-0.3    -1,-0.2   -37,-0.0    -3,-0.0   0.860 117.2  37.2 -59.1 -35.3    6.8   -4.9    6.5                           
   71   71   Y  T 3  S+     0   0   79    -11,-0.1   -39,-2.1   -38,-0.1     2,-0.5  -0.095  90.5 130.9-110.8  27.9    4.5   -3.6    3.9                           
   72   72   S    <   +     0   0   51     -3,-1.6     2,-0.3   -41,-0.2    -3,-0.1  -0.790  29.7 109.2 -80.2 127.9    7.2   -3.0    1.4                           
   73   73   K        +     0   0   90     -2,-0.5   -41,-0.2   -39,-0.0   -42,-0.2  -0.854  56.5   4.0-169.0 153.5    6.6   -4.3   -1.9                           
   74   74   L        +     0   0   33     -2,-0.3     2,-0.6     1,-0.2   -43,-0.1   0.620  29.6 179.8  50.4  56.6    5.8   -3.4   -5.4                           
   75   75   H        -     0   0   36     15,-0.1    -1,-0.2    61,-0.1   -60,-0.1  -0.934  15.8-166.2 -66.5 129.5    5.5    0.1   -6.5                           
   76   76   L        +     0   0    4     -2,-0.6   -56,-0.2   -62,-0.3    13,-0.2  -0.428  44.0 143.9-113.5  44.9    4.7   -1.0  -10.2                           
   77   77   L        -     0   0    3     57,-0.1     2,-0.3    11,-0.1    57,-0.2  -0.324  38.4-155.8-100.6 164.9    5.5    2.6  -10.8                           
   78   78   L  E     +B  133   0B   7     55,-1.6    55,-2.1    58,-0.2    57,-0.2  -0.990  25.0 179.7-154.4 140.4    7.2    4.4  -13.7                           
   79   79   E  E     -B  132   0B  92      1,-1.1     2,-0.6    -2,-0.3    55,-0.1  -0.182  69.8 -92.2-116.6  30.7    9.0    7.5  -14.5                           
   80   80   S  S    S+     0   0   41     51,-0.9    -1,-1.1    47,-0.2     2,-0.1  -0.768  87.9 129.0  47.3-117.4    9.6    6.9  -18.0                           
   81   81   G        -     0   0   41     -2,-0.6    50,-0.1    -3,-0.2    -3,-0.0  -0.455  47.7-146.6  83.8 178.9   13.0    5.2  -17.5                           
   82   82   E  S  > S+     0   0  157     -2,-0.1     4,-2.9    47,-0.0     5,-0.2  -0.235  71.4  30.0-137.0 -72.6   13.4    1.9  -19.1                           
   83   83   P  H  > S+     0   0   86      0, 0.0     4,-0.9     0, 0.0    -2,-0.0   0.888 130.2  24.7 -53.5 -51.2   15.4   -1.0  -17.6                           
   84   84   D  H  > S+     0   0  119      1,-0.3     4,-2.0     2,-0.3     3,-0.2   0.874 120.5  54.5 -92.5 -26.1   15.1   -0.3  -13.8                           
   85   85   V  H  > S+     0   0   16      2,-0.2     4,-2.3     1,-0.2    -1,-0.3   0.839 102.8  61.1 -64.4 -31.5   11.9    1.5  -13.9                           
   86   86   T  H  X S+     0   0   39     -4,-2.9     4,-2.3     2,-0.2    -2,-0.3   0.893 101.4  51.2 -59.2 -31.2   11.0   -1.7  -15.7                           
   87   87   E  H  < S+     0   0  121     -4,-0.9    -2,-0.2     2,-0.3    -1,-0.2   0.786 104.0  55.4 -63.9 -35.1   11.9   -3.4  -12.3                           
   88   88   Y  H  < S+     0   0   93     -4,-2.0    -2,-0.2     1,-0.1    -1,-0.2   0.890 109.7  48.2 -61.2 -39.4    9.6   -1.0  -10.7                           
   89   89   C  H  < S+     0   0    0     -4,-2.3     2,-0.3   -13,-0.2    -2,-0.3   0.852 103.9  84.4 -70.7 -30.4    7.1   -2.5  -13.3                           
   90   90   T     <  +     0   0   32     -4,-2.3     3,-0.1     1,-0.2   -16,-0.1  -0.642   9.3 127.0 -71.1 136.1    8.1   -6.1  -12.4                           
   91   91   I  S    S-     0   0   62     -2,-0.3     2,-0.2   -17,-0.1    -1,-0.2  -0.150 113.2 -23.5 -90.6  -5.9    7.0   -8.4   -9.9                           
   92   92   G  S    S-     0   0   23     -3,-0.1     2,-0.2   -57,-0.0     3,-0.0  -0.670 104.0 -36.2 168.3-172.8    6.7   -9.9  -13.1                           
   93   93   C     >  -     0   0   75     -2,-0.2     4,-1.8    -3,-0.1     5,-0.1  -0.603  36.2-132.4-108.3 149.4    6.3   -9.2  -16.7                           
   94   94   M  H  > S+     0   0   50     -2,-0.2     4,-1.3     2,-0.2    -1,-0.1   0.922 113.0  48.9 -60.0 -44.9    4.4   -6.4  -18.4                           
   95   95   T  H  > S+     0   0   87      1,-0.2     4,-0.9     2,-0.2    -1,-0.2   0.880 110.8  51.1 -62.0 -40.2    2.9   -9.0  -20.8                           
   96   96   S  H  > S+     0   0   35      1,-0.2     4,-2.6     2,-0.2     3,-0.3   0.820 101.4  60.8 -65.8 -33.2    2.0  -11.2  -17.8                           
   97   97   V  H  X S+     0   0    4     -4,-1.8     4,-2.3     2,-0.2    -1,-0.2   0.878  97.5  61.6 -61.0 -37.4    0.3   -8.3  -16.0                           
   98   98   C  H  < S+     0   0   16     -4,-1.3    -1,-0.2     1,-0.2    -2,-0.2   0.847 109.2  41.1 -54.3 -40.3   -2.0   -8.2  -19.0                           
   99   99   D  H >X S+     0   0   85     -4,-0.9     4,-3.5    -3,-0.3     3,-0.5   0.901 121.2  38.2 -68.9 -47.7   -3.1  -11.7  -18.1                           
  100  100   N  H 3X S+     0   0   81     -4,-2.6     2,-2.4     2,-0.3     4,-1.5   0.964 109.7  52.5 -70.8 -48.4   -3.3  -11.3  -14.3                           
  101  101   M  H 3< S+     0   0    5     -4,-2.3    -1,-0.2     1,-0.3    -4,-0.1  -0.233 129.4  27.7 -90.5  51.7   -4.7   -8.0  -13.7                           
  102  102   D  H X4 S+     0   0    6     -2,-2.4     3,-0.6    -3,-0.5    -1,-0.3  -0.001 115.0  56.9 164.8 -61.4   -7.4   -9.2  -16.1                           
  103  103   N  H 3< S+     0   0   89     -4,-3.5    -2,-0.2     1,-0.2    -3,-0.2   0.303  78.3  94.4 -97.0  14.7   -7.5  -12.8  -15.8                           
  104  104   V  T 3< S-     0   0   55     -4,-1.5    -1,-0.2     1,-0.3     2,-0.2   0.854 113.1 -46.1 -57.5 -43.4   -8.1  -12.2  -12.3                           
  105  105   I    <   -     0   0  115     -3,-0.6    -1,-0.3    -5,-0.1     2,-0.2  -0.668  55.1-128.6-167.0 153.1  -11.6  -12.6  -13.6                           
  106  106   H        +     0   0   78     -2,-0.2     2,-0.3    -3,-0.2    -3,-0.0  -0.541  38.2 135.0 -93.3-174.6  -13.8  -11.6  -16.4                           
  107  107   G     >  -     0   0   34     -2,-0.2     4,-1.2     0, 0.0    -2,-0.1  -0.756  65.4-103.2 145.5 153.7  -17.1  -10.1  -16.3                           
  108  108   Q  H  > S+     0   0  125     -2,-0.3     4,-3.4     2,-0.2     5,-0.1   0.714 127.5  60.0 -92.9 -20.1  -18.4   -7.2  -18.3                           
  109  109   E  H  > S+     0   0  155      2,-0.2     4,-2.2     3,-0.2     5,-0.3   0.790 104.4  54.2 -56.5 -42.3  -18.0   -5.1  -15.2                           
  110  110   M  H  > S+     0   0   23      1,-0.2     4,-2.4     2,-0.2    -2,-0.2   0.981 112.6  42.3 -65.9 -43.7  -14.3   -6.3  -15.6                           
  111  111   K  H  X S+     0   0   53     -4,-1.2     4,-2.5     2,-0.2    -2,-0.2   0.888 113.2  48.2 -71.7 -39.8  -14.4   -5.0  -19.0                           
  112  112   I  H  X S+     0   0  105     -4,-3.4     4,-1.8     2,-0.2    -1,-0.2   0.914 113.8  50.1 -62.3 -39.0  -16.1   -1.7  -18.4                           
  113  113   D  H  X S+     0   0   55     -4,-2.2     4,-1.1     1,-0.2    -2,-0.2   0.885 110.6  50.1 -63.6 -41.3  -13.8   -1.2  -15.5                           
  114  114   M  H  X S+     0   0    1     -4,-2.4     4,-1.5    -5,-0.3    -1,-0.2   0.852 103.7  57.9 -62.0 -36.1  -11.0   -2.0  -17.9                           
  115  115   L  H  X S+     0   0   89     -4,-2.5     4,-1.0     2,-0.2    -2,-0.2   0.845 101.3  57.2 -61.5 -37.2  -12.4    0.5  -20.4                           
  116  116   L  H  <>S+     0   0   85     -4,-1.8     5,-0.5     1,-0.2     3,-0.5   0.874 108.1  46.9 -58.1 -41.6  -12.1    3.2  -17.8                           
  117  117   C  H  <5S+     0   0    0     -4,-1.1     4,-0.3     1,-0.2    -2,-0.2   0.773  97.3  71.0 -61.1 -36.9   -8.4    2.2  -17.6                           
  118  118   N  H  <5S+     0   0   53     -4,-1.5     2,-0.2     3,-0.2    -1,-0.2   0.793 108.3  38.4 -49.4 -38.7   -8.3    2.3  -21.4                           
  119  119   K  T  <5S+     0   0  140     -4,-1.0     2,-4.8    -3,-0.5  -113,-0.0  -0.614 119.8  21.1-101.3 166.3   -8.6    6.1  -21.0                           
  120  120   E  T  >5S+     0   0   83      1,-0.4     4,-1.1    -2,-0.2    -3,-0.1  -0.217 128.0  56.2  72.4 -54.7   -7.0    8.5  -18.3                           
  121  121   C  H  > S+     0   0   34      2,-0.2     4,-2.3     1,-0.2    -1,-0.2   0.915 100.2  53.7 -63.3 -32.4   -4.2    6.0  -21.7                           
  123  123   R  H  > S+     0   0  145      1,-0.3     4,-1.0     2,-0.3    -1,-0.2   0.897 106.4  53.6 -61.9 -41.5   -3.1    9.6  -21.1                           
  124  124   F  H  < S+     0   0   25     -4,-1.1    -1,-0.3     1,-0.2    -2,-0.2   0.779 107.8  51.5 -61.1 -38.4   -0.6    7.9  -18.7                           
  125  125   C  H  X S+     0   0   28     -4,-2.0     4,-0.5     1,-0.2    -2,-0.3   0.911  96.2  72.7 -62.6 -40.1    0.4    5.7  -21.8                           
  126  126   N  H  < S+     0   0  116     -4,-2.3     2,-0.6    -5,-0.2    -2,-0.2   0.853  94.7  51.7 -53.0 -40.6    0.9    8.8  -23.9                           
  127  127   K  T  < S-     0   0  141     -4,-1.0     4,-0.2    -3,-0.2   -47,-0.2  -0.819 123.0 -13.8-108.5 125.0    4.2   10.0  -22.2                           
  128  128   G  T  4 S-     0   0   41     -2,-0.6     2,-0.6     2,-0.1    -1,-0.1   0.600 112.0 -79.8  92.0   7.9    7.4    8.0  -21.5                           
  129  129   A  S  < S+     0   0   74     -4,-0.5    -2,-0.1    -3,-0.2  -119,-0.1  -0.866 123.5  11.8  51.8-113.1    5.6    4.9  -22.3                           
  130  130   V  S    S-     0   0    3     -2,-0.6    -2,-0.1     1,-0.2    -1,-0.1   0.617 116.5-155.2 -84.3 -26.2    3.7    4.1  -19.2                           
  131  131   I        -     0   0   13     -4,-0.2   -51,-0.9    -3,-0.1     2,-0.4  -0.707  21.5  -3.8 148.8-123.6    4.5    7.6  -17.8                           
  132  132   P  E    S+B   79   0B  64      0, 0.0     2,-0.3     0, 0.0   -53,-0.2  -0.200  82.7  96.5-103.5  40.4    5.1   10.4  -15.1                           
  133  133   S  E     +B   78   0B   0    -55,-2.1   -55,-1.6    -2,-0.4     3,-0.3  -0.662  15.3 136.5-150.1  69.4    4.4    8.8  -11.8                           
  134  134   F        +     0   0   94     -2,-0.3    -1,-0.2   -57,-0.2   -55,-0.2   0.314  56.0 103.5 -74.9  -8.4    7.4    7.5  -10.1                           
  135  135   Q              0   0  129    -57,-0.2    -1,-0.2     1,-0.2  -107,-0.1   0.851 360.0 360.0 -60.3 -45.6    5.5    9.2   -7.4                           
  136  136   A              0   0    1     -3,-0.3  -113,-0.3   -58,-0.1   -58,-0.2  -0.939 360.0 360.0 179.2 360.0    4.5    5.7   -6.2