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                                                                                                                         .
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AUTHOR                                                                                                                         .
  137  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  6824.1   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   72 52.6   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                              .
    6  4.4   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                              .
    1  0.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES                              .
    1  0.7   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                              .
    8  5.8   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
   10  7.3   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   46 33.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    1  0.7   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  2  0  1  1  0  0  0  2  0  0  0  0  0  0  1  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  0  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    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   65      0, 0.0    19,-0.1     0, 0.0     0, 0.0   0.000 360.0 360.0 360.0 161.4   -6.7   17.3  -13.5                           
    2    2   G        +     0   0   70     17,-0.1    17,-0.1   131,-0.1     2,-0.1   0.744 360.0  13.2 -60.0 -35.2   -9.7   19.8  -13.5                           
    3    3   S  S    S-     0   0   52     16,-0.1     2,-0.3   127,-0.0   131,-0.1   0.144 115.2 -69.7-103.5-135.0  -11.1   17.3  -15.7                           
    4    4   I        +     0   0   92     -2,-0.1     2,-0.1   129,-0.0   130,-0.1  -0.892  52.6 163.1-124.3 104.6  -10.0   13.8  -16.3                           
    5    5   K        -     0   0  105     -2,-0.3   128,-0.1     1,-0.3   132,-0.0  -0.201  57.8 -53.7 -87.1-169.9   -6.9   13.4  -18.2                           
    6    6   G        +     0   0   43     -2,-0.1     2,-0.3   126,-0.1    -1,-0.3  -0.317  62.3 170.9 -76.1 162.3   -5.3   10.1  -18.0                           
    7    7   L        +     0   0   29    127,-0.2   128,-0.1    -3,-0.1     3,-0.1  -0.976  30.0  95.4-151.4 152.8   -4.4    8.4  -14.9                           
    8    8   K        +     0   0   87      1,-0.4     2,-0.3    -2,-0.3   106,-0.2   0.564  63.7  87.5 140.2  37.7   -3.2    5.2  -13.4                           
    9    9   S  S    S-     0   0   59    105,-0.1     2,-8.5   106,-0.0    -1,-0.4  -0.954 118.6 -39.2-108.7 136.1    0.4    5.2  -12.9                           
   10   10   V  S  > S+     0   0   17      1,-0.4     4,-2.5    -2,-0.3     5,-0.1   0.130 133.7  79.5  59.8 -42.0    1.6    6.7   -9.7                           
   11   11   V  H  > S+     0   0    0     -2,-8.5     4,-2.2     2,-0.2    -1,-0.4   0.792  84.5  61.5 -60.1 -34.0   -1.2    9.1  -10.3                           
   12   12   I  H  4 S+     0   0    0      2,-0.2    -1,-0.2     1,-0.2    -2,-0.1   0.929 106.0  43.9 -49.3 -44.7   -3.2    6.2   -9.0                           
   13   13   C  H >4 S+     0   0   17      1,-0.2     3,-1.0     2,-0.1    -2,-0.2   0.932 117.1  46.8 -63.1 -45.0   -1.3    6.6   -5.8                           
   14   14   V  H >< S+     0   0    5     -4,-2.5     3,-2.0     1,-0.3    -2,-0.2   0.637  94.3  73.9 -75.3 -15.3   -1.7   10.3   -6.1                           
   15   15   L  T 3< S+     0   0    0     -4,-2.2    -1,-0.3     1,-0.3   117,-0.2   0.169  72.6  80.2 -90.1  15.8   -5.5   10.2   -6.9                           
   16   16   V  T <  S+     0   0    5     -3,-1.0    -1,-0.3    -5,-0.1     2,-0.2   0.569 101.3  56.3 -57.4 -23.2   -5.9    9.4   -3.3                           
   17   17   L  S <  S-     0   0    3     -3,-2.0     4,-0.3    -6,-0.2   108,-0.1  -0.495  91.0-141.5 -98.7 168.9   -5.4   13.1   -4.0                           
   18   18   G        -     0   0    0      2,-2.6    -1,-0.2    -2,-0.2     3,-0.1   0.429  65.8 -15.0 -98.0-131.1   -7.6   15.2   -6.3                           
   19   19   I  S    S-     0   0   84      1,-0.2     2,-0.3   114,-0.1   115,-0.1   0.557 140.6 -27.4 -48.3 -25.1   -7.5   17.9   -9.0                           
   20   20   V    >   -     0   0   24     -6,-0.1    -2,-2.6   -19,-0.1     3,-1.3  -0.919  69.6 -89.3-161.8-170.0   -4.3   17.9   -7.1                           
   21   21   L  T 3> S+     0   0    0     -4,-0.3     4,-1.5    -2,-0.3     3,-0.1   0.378 117.5  82.6 -59.5  -9.6   -2.5   17.0   -3.9                           
   22   22   E  H 3> S+     0   0   74      2,-0.2     4,-2.4     1,-0.2    -1,-0.2   0.675  75.1  70.1 -75.8  -9.3   -3.7   20.7   -3.5                           
   23   23   H  H <> S+     0   0   19     -3,-1.3     4,-1.9     1,-0.2    -1,-0.2   0.963 100.5  45.0 -61.6 -43.7   -6.8   18.9   -2.5                           
   24   24   V  H  > S+     0   0    0     -4,-0.3     4,-3.2     1,-0.2    -2,-0.2   0.881 113.3  49.8 -62.9 -41.5   -4.9   17.9    0.6                           
   25   25   Q  H  < S+     0   0   32     -4,-1.5    -1,-0.2     2,-0.2    -2,-0.2   0.883 105.4  53.7 -64.7 -40.8   -3.6   21.3    1.0                           
   26   26   V  H  < S+     0   0  117     -4,-2.4    -1,-0.2     1,-0.2    -2,-0.2   0.893 118.4  38.6 -59.5 -46.0   -6.9   23.2    0.8                           
   27   27   E  H  < S-     0   0   67     -4,-1.9     2,-0.3     1,-0.3    -2,-0.2   0.997 127.4 -79.4 -67.2 -56.7   -8.2   20.9    3.5                           
   28   28   G     <  -     0   0    6     -4,-3.2     2,-0.5    -5,-0.2    -1,-0.3  -0.899  50.7 -60.8 152.8 161.8   -5.2   20.8    5.6                           
   29   29   K  E     +A   63   0A   5     34,-2.9    34,-3.1    36,-0.4     2,-0.6  -0.791  35.6 176.0-115.4 122.8   -1.9   19.2    6.0                           
   30   30   S  E     +A   62   0A   0     -2,-0.5    32,-0.3    32,-0.3     2,-0.3  -0.699  20.5 177.3-134.0  56.5   -1.7   15.7    6.4                           
   31   31   C  E     -A   61   0A   1     30,-1.5    30,-0.9    -2,-0.6     2,-0.3  -0.558  16.7-170.0-111.0 135.9    1.9   14.9    6.5                           
   32   32   C        -     0   0    0     -2,-0.3    42,-0.3    40,-0.2     6,-0.2  -0.992  25.8-129.8-129.7 143.2    3.8   11.7    7.0                           
   33   33   K  S    S+     0   0   64     -2,-0.3     2,-0.3    40,-0.1    41,-0.3   0.556  85.2  24.0 -64.1 -23.0    7.5   11.4    7.6                           
   34   34   D  S  > S-     0   0   53     39,-0.1     4,-2.7    41,-0.1    25,-0.1  -0.822  79.1-109.0-147.6 153.0    8.2    8.9    5.1                           
   35   35   T  H  > S+     0   0   15     -2,-0.3     4,-3.1     2,-0.2     5,-0.1   0.874 119.9  50.3 -63.5 -42.8    6.8    7.4    1.7                           
   36   36   T  H  > S+     0   0   69      1,-0.2     4,-2.0     2,-0.2    -1,-0.2   0.926 115.0  46.6 -61.2 -42.9    5.8    4.1    3.3                           
   37   37   A  H  > S+     0   0    8      2,-0.2     4,-2.1     1,-0.2    -2,-0.2   0.878 110.5  52.0 -62.6 -42.3    4.0    6.3    5.9                           
   38   38   R  H  X S+     0   0   12     -4,-2.7     4,-1.7    -6,-0.2    -1,-0.2   0.940 110.7  49.4 -60.3 -43.7    2.5    8.6    3.3                           
   39   39   N  H  X S+     0   0   15     -4,-3.1     4,-1.9     1,-0.2    -2,-0.2   0.871 107.4  49.9 -62.7 -43.2    1.2    5.6    1.6                           
   40   40   C  H  X S+     0   0   57     -4,-2.0     4,-1.6     1,-0.2    -1,-0.2   0.838 107.1  58.2 -63.0 -38.7   -0.4    4.0    4.6                           
   41   41   Y  H  X S+     0   0    0     -4,-2.1     4,-1.5     1,-0.2    -1,-0.2   0.935 108.0  48.7 -49.3 -49.1   -2.1    7.4    5.3                           
   42   42   N  H  X S+     0   0   17     -4,-1.7     4,-1.5     1,-0.2    -2,-0.2   0.835 105.8  53.3 -61.6 -43.0   -3.6    7.1    1.8                           
   43   43   V  H  < S+     0   0   58     -4,-1.9    -1,-0.2     1,-0.2    -2,-0.2   0.897 107.7  52.0 -60.0 -43.9   -4.9    3.6    2.1                           
   44   44   C  H  <>S+     0   0   30     -4,-1.6     5,-1.4     1,-0.2     4,-0.2   0.847 105.2  55.0 -61.4 -42.1   -6.8    4.5    5.3                           
   45   45   R  H ><5S+     0   0    6     -4,-1.5     3,-0.9     1,-0.2    -1,-0.2   0.928 108.7  48.8 -57.3 -47.9   -8.5    7.5    3.7                           
   46   46   I  T 3<5S+     0   0   13     -4,-1.5    -2,-0.2     1,-0.2    -1,-0.2   0.879 105.9  55.5 -59.1 -51.5   -9.9    5.3    0.9                           
   47   47   P  T 3 5S-     0   0   92      0, 0.0    -1,-0.2     0, 0.0    -2,-0.2   0.156 130.5 -85.5 -88.9  20.9  -11.4    2.4    3.2                           
   48   48   G  T < 5S+     0   0   60     -3,-0.9    -3,-0.2     1,-0.3    -2,-0.2   0.437  80.8 121.9 130.8  26.4  -13.3    5.1    4.9                           
   49   49   T      < -     0   0   47     -5,-1.4    -1,-0.3     1,-0.1     5,-0.0  -0.670  52.2 -96.8-127.4 151.6  -11.8    7.0    7.6                           
   50   50   P     >  -     0   0   83      0, 0.0     4,-2.1     0, 0.0     3,-0.3  -0.086  37.1-103.2 -70.9 164.4  -11.0   10.6    8.6                           
   51   51   R  H  > S+     0   0   88      1,-0.2     4,-2.6     2,-0.2     5,-0.1   0.879 123.2  55.6 -55.4 -40.4   -7.8   12.6    8.3                           
   52   52   P  H  > S+     0   0   74      0, 0.0     4,-2.0     0, 0.0    -1,-0.2   0.897 110.3  48.6 -54.7 -40.3   -7.2   12.1   12.1                           
   53   53   V  H  > S+     0   0   52     -3,-0.3     4,-2.1     2,-0.2    -2,-0.2   0.905 106.3  52.2 -65.6 -39.8   -7.4    8.4   11.4                           
   54   54   C  H  X S+     0   0    0     -4,-2.1     4,-2.3     1,-0.2    -1,-0.2   0.892 112.0  55.1 -59.1 -38.1   -5.0    8.5    8.4                           
   55   55   A  H  < S+     0   0    5     -4,-2.6    -2,-0.2    -5,-0.3    -1,-0.2   0.916 103.2  47.3 -64.2 -44.7   -2.9   10.2   11.0                           
   56   56   T  H  < S+     0   0  112     -4,-2.0    -1,-0.2     1,-0.2    -2,-0.2   0.861 116.5  47.5 -62.2 -35.5   -2.9    7.7   13.7                           
   57   57   T  H  < S+     0   0   68     -4,-2.1    -1,-0.2    -5,-0.1    -2,-0.2   0.762 114.3  46.9 -80.7 -28.6   -2.1    5.0   11.1                           
   58   58   C  S  < S-     0   0    8     -4,-2.3   -20,-0.1    -5,-0.2   -26,-0.1  -0.314 113.0 -90.8 -89.9-170.6    0.7    7.0    9.4                           
   59   59   R  S    S-     0   0  147     -2,-0.2   -27,-0.1   -25,-0.1    -4,-0.1   0.787  88.7  -3.0 -62.4 -33.1    3.2    8.5   11.8                           
   60   60   C        -     0   0   13    -29,-0.2     2,-0.3    -6,-0.2   -28,-0.1   0.459  68.4 -31.7-135.7-147.7    1.4   11.7   12.1                           
   61   61   K  E     -A   31   0A 121    -30,-0.9   -30,-1.5   -32,-0.1     2,-0.6  -0.950  21.8-141.2-155.0 133.2   -0.8   14.8   12.0                           
   62   62   I  E     +A   30   0A  56     -2,-0.3   -32,-0.3   -32,-0.3     2,-0.3  -0.967  42.6 177.9-102.2 109.9   -3.1   16.8    9.8                           
   63   63   I  E     -A   29   0A  41    -34,-3.1   -34,-2.9    -2,-0.6     5,-0.0  -0.709  33.6-127.0-118.1 164.9   -2.3   20.4   10.9                           
   64   64   S  S    S+     0   0  107     -2,-0.3     2,-0.5   -36,-0.2     4,-0.0   0.143  76.7 101.6-118.9  12.4   -3.4   23.9    9.8                           
   65   65   G  S    S-     0   0   48    -36,-0.1   -36,-0.4     1,-0.1    -2,-0.2  -0.816  81.1-134.2 -56.3 134.8   -0.4   25.8    9.0                           
   66   66   N  S    S+     0   0   98     -2,-0.5     2,-0.3   -38,-0.1   -38,-0.1   0.437  88.3  58.7 -95.0   9.8   -1.2   25.2    5.3                           
   67   67   K  S    S-     0   0  140    -38,-0.1    -1,-0.1    11,-0.0   -38,-0.1  -0.983  90.0-127.6-134.5 157.8    2.4   24.2    4.7                           
   68   68   C        -     0   0   30     -2,-0.3     9,-0.1     1,-0.2   -38,-0.1  -0.488  19.6 -87.7-135.2 155.0    3.8   21.4    6.6                           
   69   69   P        -     0   0   45      0, 0.0    -1,-0.2     0, 0.0     0, 0.0   0.276  18.8-119.3 -91.2 177.1    6.8   20.6    8.7                           
   70   70   K  S    S+     0   0  205      2,-0.2    -2,-0.0     1,-0.2     0, 0.0   0.813 111.1  51.4 -76.4 -35.8   10.3   19.3    8.8                           
   71   71   D  S    S+     0   0   99      1,-0.1    -1,-0.2     2,-0.1     3,-0.2   0.901 123.6  37.8 -60.3 -45.1    9.9   16.2   10.9                           
   72   72   Y  S    S+     0   0   29      1,-0.1     2,-2.0   -40,-0.1    -2,-0.2   0.881  86.6  88.7 -74.2 -54.8    7.1   15.4    8.4                           
   73   73   P    >   +     0   0   37      0, 0.0     3,-1.0     0, 0.0     2,-0.2  -0.200  28.9 126.9 -85.7  60.5    7.7   16.4    4.7                           
   74   74   K  T 3   +     0   0   72     -2,-2.0   -36,-0.2   -42,-0.3    -4,-0.0  -0.506  70.0  76.8 -88.1  62.8    9.3   13.7    2.8                           
   75   75   L  T 3  S-     0   0    7     -2,-0.2    -1,-0.2   -37,-0.1   -41,-0.1  -0.438 108.3-134.2-124.0  31.2    6.5   14.1    0.5                           
   76   76   H    <   -     0   0   94     -3,-1.0     2,-0.3    -4,-0.1    -2,-0.1   0.700  40.9 -68.9  46.9  49.4    8.6   17.0   -0.2                           
   77   77   G  S    S-     0   0   30     -4,-0.2     2,-0.2    -9,-0.1     5,-0.1  -0.505  84.3 -24.3  95.5-133.7    6.2   19.8   -0.3                           
   78   78   D  B >   -B   81   0B  21      3,-0.6     3,-1.7    -2,-0.3   -56,-0.0  -0.918  64.5 -83.9-156.8 165.9    3.6   20.3   -2.9                           
   79   79   L  T 3  S+     0   0    5      1,-0.3     4,-0.5    -2,-0.2     9,-0.2   0.489 111.5  20.5 -62.6 -43.0    2.8   19.5   -6.3                           
   80   80   D  T 3  S+     0   0  111      2,-0.2     2,-0.6     1,-0.2    -1,-0.3   0.165 103.1  80.1-111.2   9.6    4.3   21.8   -8.8                           
   81   81   A  B <  S+B   78   0B  61     -3,-1.7    -3,-0.6    -5,-0.1     2,-0.2  -0.910 105.1  56.4 -85.1  84.3    6.9   23.0   -6.6                           
   82   82   G  S    S-     0   0   68     -2,-0.6    -2,-0.2    -5,-0.1     7,-0.1  -0.693  90.1 -80.4 167.0-170.6    8.0   19.8   -7.9                           
   83   83   T  S    S-     0   0   48      2,-0.6     2,-2.6    -4,-0.5     3,-0.1  -0.088  92.1  -4.6-108.7-172.0    8.7   17.8  -11.1                           
   84   84   P  S >  S-     0   0   93      0, 0.0     3,-1.4     0, 0.0     5,-0.2  -0.375 111.2-124.4  -4.4  49.7    7.3   15.8  -13.9                           
   85   85   N  T >> S+     0   0   52     -2,-2.6     4,-0.9     1,-0.3     3,-0.8   0.296  80.9  20.2 -64.2 -45.7    5.0   17.0  -11.3                           
   86   86   A  H >> S+     0   0    4      1,-0.2     4,-2.6     2,-0.2     3,-1.0   0.952 120.8  61.8 -63.5 -42.3    3.0   14.2   -9.6                           
   87   87   I  H <4 S+     0   0   32     -3,-1.4    -1,-0.2     1,-0.3    -2,-0.2  -0.036 114.9  29.5-103.7  26.4    5.4   11.6  -10.7                           
   88   88   E  H <4 S+     0   0   81     -3,-0.8    -1,-0.3    -9,-0.2    -2,-0.2   0.030 103.2  69.4-150.0  29.2    8.2   13.0   -8.9                           
   89   89   F  H << S+     0   0   20     -3,-1.0    -2,-0.2    -4,-0.9    -3,-0.2   0.714 112.0  46.4 -54.1 -43.3    6.4   14.6   -6.1                           
   90   90   C  S  < S-     0   0   12     -4,-2.6     3,-0.2    -5,-0.1    -3,-0.2   0.852 102.9-158.9 -60.5 -44.3    6.3   10.8   -5.9                           
   91   91   N        -     0   0   40      1,-0.2    -2,-0.1    -5,-0.1    -1,-0.1  -0.250  26.9-103.4  71.4 178.0    9.9   10.3   -6.6                           
   92   92   M  S    S+     0   0  113     -4,-0.1     2,-0.4     1,-0.1     4,-0.3   0.172  93.0  71.6-120.9   3.4   10.9    6.9   -7.9                           
   93   93   G  S    S+     0   0   33     -3,-0.2    -1,-0.1     2,-0.2   -58,-0.1  -0.997  94.1  30.4-145.4 151.6   12.3    5.4   -4.9                           
   94   94   C  S  > S+     0   0   59     -2,-0.4     4,-1.9    -3,-0.1    -1,-0.2  -0.133 108.5  91.6  75.3 -17.7   10.7    4.2   -1.9                           
   95   95   M  H  > S+     0   0    8      2,-0.2     4,-3.8     1,-0.2     5,-0.2   0.878  72.0  58.9 -68.4 -31.1    8.3    3.9   -4.8                           
   96   96   S  H  > S+     0   0   68     -4,-0.3     4,-2.8     1,-0.2     5,-0.2   0.953 109.7  46.7 -61.3 -39.9    9.5    0.4   -5.5                           
   97   97   S  H  > S+     0   0   32      2,-0.2     4,-1.8     1,-0.2    -2,-0.2   0.911 112.7  48.5 -64.0 -39.0    8.2   -0.2   -1.8                           
   98   98   V  H  X S+     0   0    6     -4,-1.9     4,-4.0     1,-0.2    -2,-0.2   0.909 115.1  46.1 -60.9 -42.8    4.9    1.7   -2.5                           
   99   99   R  H  X S+     0   0   96     -4,-3.8     4,-3.2     2,-0.3    -2,-0.2   0.916 103.6  59.1 -63.9 -42.8    4.5   -0.4   -5.6                           
  100  100   D  H  < S+     0   0   93     -4,-2.8    -1,-0.2     1,-0.3    -2,-0.2   0.889 119.5  38.6 -62.6 -33.9    5.4   -3.8   -3.9                           
  101  101   N  H >X>S+     0   0   70     -4,-1.8     4,-2.6    -5,-0.2     3,-1.6   0.951 104.6  56.3 -73.3 -55.8    2.5   -2.7   -1.9                           
  102  102   M  H 3X5S+     0   0   11     -4,-4.0     4,-1.5     1,-0.3    -2,-0.2   0.923 123.0  40.2 -52.3 -30.4   -0.1   -1.1   -4.2                           
  103  103   N  H 3<5S+     0   0   12     -4,-3.2    -1,-0.3     2,-0.2     5,-0.3   0.252 112.9  47.6-113.7  16.1    0.4   -4.6   -5.8                           
  104  104   N  H <45S+     0   0  119     -3,-1.6    -2,-0.2    -5,-0.2    -3,-0.2   0.619 114.2  49.1 -78.9 -36.4    0.6   -6.8   -2.9                           
  105  105   A  H  <5S+     0   0   65     -4,-2.6     2,-0.3     1,-0.1    -2,-0.2   0.884 127.2  33.5 -61.2 -39.0   -2.6   -4.9   -1.5                           
  106  106   Y  S  < S+     0   0   38      1,-0.2     4,-2.7    -4,-0.1     5,-0.2  -0.303 101.4  64.6  65.3 -50.5    0.2   -3.4  -11.5                           
  111  111   K  H  > S+     0   0  146     -2,-3.4     4,-2.6     1,-0.2    -1,-0.2   0.946 103.2  45.1 -60.2 -43.9   -1.8   -1.8  -14.3                           
  112  112   E  H  > S+     0   0   92      2,-0.2     4,-2.7     1,-0.2    -1,-0.2   0.904 113.0  50.6 -63.8 -38.7   -4.8   -3.9  -13.2                           
  113  113   I  H  > S+     0   0    0      1,-0.2     4,-3.5     2,-0.2    -2,-0.2   0.877 112.8  47.7 -65.4 -36.8   -4.2   -3.1   -9.6                           
  114  114   D  H  X S+     0   0    3     -4,-2.7     4,-3.4     2,-0.3     5,-0.4   0.832 106.0  54.6 -66.2 -42.8   -4.0    0.5  -10.5                           
  115  115   V  H  X S+     0   0   66     -4,-2.6     4,-3.5    -5,-0.2     5,-0.2   0.972 117.2  41.1 -60.0 -45.5   -7.1    0.3  -12.5                           
  116  116   E  H  X S+     0   0   93     -4,-2.7     4,-2.7     2,-0.2    -2,-0.3   0.943 118.6  41.8 -67.0 -45.9   -8.7   -1.1   -9.3                           
  117  117   L  H  X S+     0   0    4     -4,-3.5     4,-4.2     2,-0.2     5,-0.3   0.919 119.2  49.0 -66.0 -41.0   -7.0    1.2   -6.7                           
  118  118   C  H  X S+     0   0    3     -4,-3.4     4,-3.1     2,-0.2     5,-0.3   0.954 111.5  48.2 -57.4 -51.7   -7.7    4.1   -9.2                           
  119  119   G  H  X S+     0   0   22     -4,-3.5     4,-1.6    -5,-0.4    -2,-0.2   0.924 122.6  34.6 -62.0 -43.7  -11.3    3.1   -9.6                           
  120  120   T  H  X S+     0   0   63     -4,-2.7     4,-3.1    -5,-0.2     5,-0.2   0.907 116.5  50.0 -74.6 -41.4  -11.7    2.8   -6.0                           
  121  121   A  H  X S+     0   0    0     -4,-4.2     4,-2.8     1,-0.2     5,-0.2   0.904 114.7  48.4 -64.7 -40.8   -9.5    5.5   -4.7                           
  122  122   Y  H  X S+     0   0   66     -4,-3.1     4,-2.6    -5,-0.3    -1,-0.2   0.877 112.7  47.0 -75.7 -31.9  -11.2    7.8   -7.1                           
  123  123   A  H  X S+     0   0   36     -4,-1.6     4,-2.1    -5,-0.3    -1,-0.2   0.914 113.3  46.1 -63.7 -44.9  -14.7    6.7   -6.1                           
  124  124   S  H  X S+     0   0   18     -4,-3.1     4,-1.9     2,-0.2    -2,-0.2   0.904 117.6  45.6 -66.8 -39.4  -14.0    7.0   -2.5                           
  125  125   F  H  X S+     0   0    1     -4,-2.8     4,-4.3    -5,-0.2    -2,-0.3   0.873 109.1  58.7 -69.3 -33.1  -12.4   10.5   -3.5                           
  126  126   C  H  < S+     0   0   53     -4,-2.6    -2,-0.2     2,-0.2    -1,-0.2   0.863 104.5  49.4 -63.8 -35.0  -15.5   11.0   -5.6                           
  127  127   N  H  < S+     0   0  137     -4,-2.1    -2,-0.2     1,-0.1    -1,-0.2   0.943 116.5  40.4 -61.0 -46.2  -17.5   10.7   -2.6                           
  128  128   Q  H  < S-     0   0   72     -4,-1.9    -2,-0.2     2,-0.1    -3,-0.2   0.912 138.4 -41.1 -65.0 -48.5  -15.5   13.1   -0.8                           
  129  129   I  S  < S-     0   0   84     -4,-4.3     2,-0.0     1,-0.2  -106,-0.0  -0.509 100.0 -11.6-152.9-146.1  -15.0   15.5   -3.7                           
  130  130   I        -     0   0   61     -2,-0.1    -1,-0.2     1,-0.1     2,-0.2  -0.324  69.9-109.3 -61.6 146.5  -14.3   15.3   -7.7                           
  131  131   A        -     0   0   36     -5,-0.2    -8,-0.1    -3,-0.1    -1,-0.1  -0.550  62.4 -13.5 -69.1 142.3  -13.3   12.1   -9.2                           
  132  132   R        -     0   0   59   -117,-0.2     2,-0.3    -2,-0.2  -126,-0.1   0.419  55.1-110.8  67.1 167.7   -9.8   11.3  -10.7                           
  133  133   L        -     0   0    5   -128,-0.1  -114,-0.1  -114,-0.1     2,-0.1  -0.919  19.6-113.4-131.7 149.8   -6.6   12.8  -11.7                           
  134  134   S        -     0   0   25     -2,-0.3  -127,-0.2  -130,-0.1  -126,-0.1  -0.434  36.0-112.2 -74.8 170.5   -4.4   13.5  -14.6                           
  135  135   V        -     0   0   28   -128,-0.1    -1,-0.1    -2,-0.1  -130,-0.1  -0.271  43.3 -93.8 -85.7-173.5   -1.2   11.8  -15.2                           
  136  136   A              0   0   32      1,-0.5   -51,-0.2   -52,-0.1    -1,-0.1   0.933 360.0 360.0 -61.8 -42.6    1.9   13.9  -15.0                           
  137  137   A              0   0  115    -53,-0.1    -1,-0.5   -52,-0.0  -132,-0.0  -0.776 360.0 360.0-173.0 360.0    0.8   13.8  -18.6