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                                                              .
                                                                                                                               .
COMPND                                                                                                                         .
SOURCE                                                                                                                         .
AUTHOR                                                                                                                         .
  135  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  7258.4   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   75 55.6   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                              .
    7  5.2   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                              .
    0  0.0   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                              .
   10  7.4   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    8  5.9   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   44 32.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    4  3.0   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  1  0  0  1  1  0  0  1  0  1  1  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  0  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    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  147      0, 0.0   132,-0.3     0, 0.0     3,-0.2   0.000 360.0 360.0 360.0 100.8   -9.0    5.8   36.2                           
    2    2   A        +     0   0   72    130,-3.6     2,-0.4     1,-0.2   131,-0.2   0.462 360.0  21.3 -87.1 -33.4   -8.6    5.1   39.9                           
    3    3   S  B    S-A  132   0A  52    129,-2.6   129,-3.4   132,-0.1    -1,-0.2  -0.895  77.4-178.9-120.1 103.3   -5.1    5.3   39.0                           
    4    4   N        +     0   0   94     -2,-0.4   126,-0.2   127,-0.3     3,-0.1   0.677  66.0  20.7 -83.9  -2.9   -4.5    7.2   35.8                           
    5    5   N        +     0   0  105      1,-0.1   127,-0.2   127,-0.1    -2,-0.1  -0.167  59.2 114.7-116.1-143.2   -0.9    7.0   35.5                           
    6    6   G    >   +     0   0   51     -2,-0.1     3,-0.5     2,-0.1     7,-0.1   0.214  38.5 178.1  93.9  -3.2    1.9    4.8   36.8                           
    7    7   L  G >   +     0   0   56      1,-0.3     2,-1.0     6,-0.2     3,-0.7   0.172  58.4  52.8  52.3-103.9    3.0    3.3   33.8                           
    8    8   K  G 3   +     0   0  111      1,-0.3    -1,-0.3   115,-0.1     5,-0.1  -0.094  58.0 112.4-102.8  30.0    5.8    1.1   34.4                           
    9    9   S  G <  S-     0   0   40     -2,-1.0    -1,-0.3    -3,-0.5    -2,-0.1   0.917  97.8 -98.8 -57.5 -37.3    4.8   -1.3   37.1                           
   10   10   V  S <  S+     0   0   20     -3,-0.7     2,-0.6   109,-0.1    93,-0.2   0.481  98.3   9.4 115.3 116.6    5.1   -3.8   34.1                           
   11   11   I  S >>>S+     0   0    3    105,-0.1     5,-1.5     1,-0.1     3,-0.7  -0.292 114.6  77.3  79.1 -36.6    2.0   -4.8   32.2                           
   12   12   I  T 345S+     0   0    8     -2,-0.6    -5,-0.1     1,-0.2    -1,-0.1   0.600  81.1  70.9 -64.7 -10.3    0.0   -2.2   34.1                           
   13   13   C  T 345S-     0   0    1     -7,-0.1    -1,-0.2    -5,-0.1    -6,-0.2   0.881 130.1 -14.2 -64.9 -33.3    1.8   -0.2   31.6                           
   14   14   I  T X45S+     0   0    9     -3,-0.7     3,-4.0    -7,-0.1     5,-0.2   0.560 127.4  55.5-117.7 -58.9   -0.6   -1.9   29.3                           
   15   15   L  T 3X5S+     0   0    6     -4,-0.6     4,-0.5     1,-0.4    -3,-0.2   0.664 102.8  60.9 -75.3  -9.4   -2.8   -5.0   30.1                           
   16   16   V  H 3> S+     0   0   16     -2,-0.3     4,-1.9    27,-0.1    -1,-0.2  -0.816 125.8  51.9  78.9 -70.9   -7.6   -2.2   27.6                           
   19   19   L  H  X S+     0   0   23     -2,-0.8     4,-1.2    -4,-0.5    -2,-0.3   0.889 116.4  35.9 -65.7 -42.5   -8.8   -4.8   30.0                           
   20   20   V  H  < S+     0   0    1     -4,-3.8    -1,-0.2     2,-0.2    -3,-0.2   0.725 109.1  62.8 -87.8 -17.7   -9.8   -2.4   32.8                           
   21   21   L  H  4 S+     0   0   95     -5,-0.3    -1,-0.2     1,-0.2    -2,-0.2   0.910 103.6  51.9 -62.1 -37.0  -11.0    0.4   30.5                           
   22   22   E  H  < S-     0   0   50     -4,-1.9     2,-0.3     1,-0.2    -2,-0.2   0.879 119.5-127.3 -60.7 -44.0  -13.5   -2.2   29.5                           
   23   23   Q     <  -     0   0  108     -4,-1.2    -1,-0.2     1,-0.2   111,-0.2  -0.999  55.0 -49.0 148.3-122.5  -14.2   -2.5   33.3                           
   24   24   V  S    S+     0   0   63     -2,-0.3     2,-0.3     1,-0.2    -1,-0.2   0.272 127.2  35.7 -98.0  -0.8  -14.0   -6.1   34.7                           
   25   25   Q        +     0   0  105     -3,-0.2     2,-0.3    -5,-0.1    -1,-0.2  -0.996  39.3 161.0-153.7 159.1  -16.2   -7.0   31.8                           
   26   26   V        -     0   0   27     -2,-0.3     3,-0.1     1,-0.2    -3,-0.0  -0.711  36.2-134.7-132.5 176.7  -17.4   -6.8   28.3                           
   27   27   E  S    S+     0   0  149     -2,-0.3    -1,-0.2     1,-0.1     2,-0.1   0.828  86.3  91.3 -95.0 -71.7  -19.3   -9.6   26.9                           
   28   28   G  S    S-     0   0   34      1,-0.1     2,-0.4    34,-0.1    36,-0.2   0.107  73.9-157.3  58.1  36.3  -17.4   -9.6   23.9                           
   29   29   K  E     -B   63   0B  38     34,-2.5    34,-2.3    36,-0.2     2,-0.6  -0.599  24.4-174.1 -97.2 131.5  -14.7  -12.1   24.8                           
   30   30   S  E     +B   62   0B   8     -2,-0.4     2,-0.4    32,-0.2    32,-0.2  -0.981  15.2 178.8-107.3 130.7  -11.3  -12.5   23.5                           
   31   31   C  E     -B   61   0B   1     30,-2.4    30,-2.7    -2,-0.6     2,-0.2  -0.968  12.1-157.5-131.9 139.6   -9.7  -15.5   25.0                           
   32   32   C  E     -B   60   0B   0     -2,-0.4    28,-0.2    28,-0.2     3,-0.1  -0.726  26.4-124.5-130.3 158.3   -6.3  -16.5   23.9                           
   33   33   K  S    S-     0   0  133     26,-1.9     2,-0.3    -2,-0.2    27,-0.1   0.889  86.7 -16.6 -59.0 -44.8   -3.9  -19.3   23.7                           
   34   34   N  S  > S-     0   0   32     25,-0.1     4,-2.0    38,-0.1    41,-0.2  -0.837  77.1 -83.1-157.9 174.5   -1.0  -17.9   25.6                           
   35   35   T  H  > S+     0   0    7     -2,-0.3     4,-3.1     1,-0.2     5,-0.2   0.867 121.2  56.2 -62.5 -40.1    0.4  -14.6   26.9                           
   36   36   S  H  > S+     0   0   21      1,-0.2     4,-2.6     2,-0.2    -1,-0.2   0.888 109.5  49.7 -65.4 -39.0    2.1  -13.5   23.7                           
   37   37   S  H  > S+     0   0    0      2,-0.2     4,-2.9     1,-0.2    -1,-0.2   0.926 110.7  47.7 -64.8 -45.2   -1.3  -13.8   22.0                           
   38   38   R  H  X S+     0   0   17     -4,-2.0     4,-2.9     2,-0.2    -2,-0.2   0.910 112.2  49.5 -61.1 -41.3   -3.0  -11.8   24.6                           
   39   39   F  H  X S+     0   0    2     -4,-3.1     4,-2.8     1,-0.2    -2,-0.2   0.914 112.9  47.1 -67.9 -39.0   -0.4   -9.2   24.4                           
   40   40   C  H  X S+     0   0   41     -4,-2.6     4,-2.9     2,-0.2    -1,-0.2   0.909 114.0  48.5 -62.9 -43.3   -0.6   -9.1   20.7                           
   41   41   Y  H  X S+     0   0    3     -4,-2.9     4,-3.0     2,-0.2     5,-0.2   0.910 113.2  46.2 -62.9 -43.9   -4.4   -8.9   20.9                           
   42   42   N  H  X S+     0   0    5     -4,-2.9     4,-1.9     2,-0.2    -2,-0.2   0.909 113.8  48.0 -65.4 -42.9   -4.4   -6.2   23.4                           
   43   43   A  H  X S+     0   0   23     -4,-2.8     4,-2.5    -5,-0.2    -2,-0.2   0.930 116.2  46.6 -63.9 -42.8   -1.7   -4.2   21.5                           
   44   44   C  H  X>S+     0   0   21     -4,-2.9     5,-3.6     2,-0.2     4,-3.2   0.885 108.3  51.2 -64.7 -42.0   -3.8   -4.7   18.3                           
   45   45   R  H  <5S+     0   0   88     -4,-3.0    -1,-0.2     3,-0.2    -2,-0.2   0.900 114.2  46.7 -65.9 -36.5   -7.1   -3.8   19.7                           
   46   46   K  H  <5S+     0   0   72     -4,-1.9    -2,-0.2    -5,-0.2    -1,-0.2   0.889 110.5  52.0 -65.4 -42.7   -5.4   -0.5   21.1                           
   47   47   L  H  <5S-     0   0  152     -4,-2.5    -2,-0.2    -5,-0.2    -1,-0.2   0.893 126.8-107.1 -62.5 -38.4   -3.8    0.1   17.6                           
   48   48   G  T  <5 +     0   0   61     -4,-3.2    -3,-0.2    -5,-0.1    -2,-0.1   0.736  60.3 164.1 112.2  31.9   -7.3   -0.3   16.3                           
   49   49   G      < -     0   0   25     -5,-3.6     2,-0.2    -8,-0.2    -1,-0.1  -0.386  47.9 -94.9 -68.6 155.1   -7.1   -3.7   14.6                           
   50   50   T     >  -     0   0   74      1,-0.1     4,-3.4    -2,-0.1     5,-0.4  -0.425  31.9-120.3 -66.4 143.6  -10.3   -5.5   13.8                           
   51   51   R  H  > S+     0   0   76      1,-0.2     4,-2.5     2,-0.2     5,-0.2   0.968 117.4  43.5 -59.7 -47.5  -11.3   -7.9   16.4                           
   52   52   P  H  > S+     0   0   86      0, 0.0     4,-2.3     0, 0.0    -1,-0.2   0.915 115.9  48.7 -61.5 -38.0  -11.2  -10.7   13.9                           
   53   53   E  H  > S+     0   0   78      2,-0.2     4,-2.4     1,-0.2    -2,-0.2   0.902 112.4  46.5 -63.4 -42.9   -7.8   -9.4   12.5                           
   54   54   C  H  X S+     0   0    1     -4,-3.4     4,-3.1     2,-0.2     5,-0.2   0.881 112.5  52.0 -62.1 -40.9   -6.2   -9.0   16.0                           
   55   55   A  H  X>S+     0   0    9     -4,-2.5     4,-2.9    -5,-0.4     5,-1.8   0.903 110.7  48.3 -61.7 -42.4   -7.5  -12.5   16.9                           
   56   56   S  H  <5S+     0   0  101     -4,-2.3    -2,-0.2     1,-0.2    -1,-0.2   0.893 113.8  47.1 -61.5 -44.5   -5.9  -13.9   13.8                           
   57   57   R  H  <5S+     0   0  167     -4,-2.4    -2,-0.2     1,-0.2    -1,-0.2   0.885 122.4  31.7 -62.4 -44.4   -2.8  -12.2   14.4                           
   58   58   C  H  <5S-     0   0   16     -4,-3.1    -2,-0.2     2,-0.1    -3,-0.2   0.857 106.1-108.8 -84.5 -34.7   -2.4  -13.1   18.0                           
   59   59   G  T  <5S+     0   0   30     -4,-2.9   -26,-1.9     1,-0.4     2,-0.3   0.670  74.3 135.3  92.9  37.4   -4.1  -16.6   18.3                           
   60   60   C  E   < -B   32   0B   4     -5,-1.8    -1,-0.4   -28,-0.2     2,-0.3  -0.795  40.2-153.8-112.6 156.9   -7.0  -15.2   20.2                           
   61   61   I  E     -B   31   0B  62    -30,-2.7   -30,-2.4    -2,-0.3     2,-0.5  -0.978  11.5-126.0-134.7 147.3  -10.6  -16.0   19.5                           
   62   62   H  E     -B   30   0B  49     -2,-0.3     2,-0.5   -32,-0.2   -32,-0.2  -0.845  24.9-179.4 -98.9 123.1  -13.9  -14.1   20.1                           
   63   63   I  E     -B   29   0B  47    -34,-2.3   -34,-2.5    -2,-0.5    -2,-0.0  -0.962  29.4-145.9-122.0 125.4  -16.6  -15.7   22.0                           
   64   64   S  S    S+     0   0  110     -2,-0.5     2,-0.1   -36,-0.2    -1,-0.1   0.825  82.5  85.2 -61.5 -29.8  -19.9  -14.0   22.6                           
   65   65   G  S    S-     0   0   20      2,-0.2    -2,-0.2   -36,-0.1   -36,-0.2  -0.351  83.9-128.2 -65.1 141.8  -19.8  -15.9   25.9                           
   66   66   N  S    S+     0   0  104     -2,-0.1     2,-0.5   -38,-0.1    -1,-0.1   0.682  86.4  84.3 -66.2 -18.0  -18.2  -14.9   29.0                           
   67   67   R  S    S-     0   0  185    -38,-0.0    -2,-0.2   -36,-0.0   -36,-0.1  -0.790  73.5-134.2 -95.5 129.1  -16.4  -18.2   29.3                           
   68   68   C        -     0   0   34     -2,-0.5    -2,-0.1     1,-0.1    -6,-0.0  -0.392  30.0 -97.6 -66.3 145.6  -13.2  -18.9   27.6                           
   69   69   P        -     0   0   29      0, 0.0    -1,-0.1     0, 0.0     3,-0.1  -0.338  30.5-119.3 -58.7 149.4  -12.5  -22.1   25.6                           
   70   70   A  S    S+     0   0   77      1,-0.2    -2,-0.1     2,-0.1     0, 0.0   0.808 116.0  43.5 -62.3 -42.8  -10.6  -24.7   27.5                           
   71   71   D  S    S+     0   0  141      1,-0.2    -1,-0.2     3,-0.0    -3,-0.0   0.665 117.2  48.1 -76.2 -17.8   -7.7  -24.5   24.9                           
   72   72   Y        +     0   0   79     -3,-0.1     2,-0.5     3,-0.0    -1,-0.2  -0.635  64.6 123.9-122.1  66.8   -7.8  -20.7   24.7                           
   73   73   P        -     0   0   72      0, 0.0   -40,-0.1     0, 0.0   -42,-0.1  -0.877  51.1-165.4-118.9 102.4   -7.8  -19.4   28.4                           
   74   74   S        +     0   0   16     -2,-0.5     2,-0.3   -40,-0.1   -39,-0.2   0.592  35.8  42.9 -62.3 -43.0   -4.8  -17.4   27.8                           
   75   75   M     >  -     0   0   16    -41,-0.2     4,-0.6    -3,-0.1     3,-0.4  -0.811  63.3-118.3-148.1 147.3   -2.9  -16.1   30.7                           
   76   76   H  T >4 S+     0   0   85     -2,-0.3     3,-0.5     1,-0.2    14,-0.1   0.700  98.3  57.2 -63.0 -42.9   -1.6  -16.8   34.0                           
   77   77   L  G >4 S+     0   0    8      1,-0.3     3,-4.4     2,-0.2     4,-0.4   0.917 100.2  53.7 -62.6 -45.9   -3.2  -14.4   36.3                           
   78   78   L  G 34 S+     0   0   74     -3,-0.4    -1,-0.3     1,-0.4     3,-0.2   0.764 116.8  43.4 -68.4 -19.4   -6.8  -15.3   35.7                           
   79   79   A  G << S+     0   0   68     -4,-0.6    -1,-0.4    -3,-0.5    -2,-0.2   0.081  75.9 107.6-101.0  13.8   -5.7  -18.9   36.5                           
   80   80   D  S <  S-     0   0   63     -3,-4.4    -1,-0.2     1,-0.1    -2,-0.2   0.962  84.3-143.5 -61.4 -43.6   -3.6  -17.8   39.4                           
   81   81   S  S    S+     0   0   67     -4,-0.4    -1,-0.1    -3,-0.2    -3,-0.1  -0.201  71.1 115.9 156.4 -11.0   -6.6  -19.4   40.8                           
   82   82   R        -     0   0  141      1,-0.1    -3,-0.1     2,-0.1    -4,-0.1   0.695  69.9-134.1 -68.2 -15.3   -8.2  -18.2   43.9                           
   83   83   E  S    S+     0   0  118     -5,-0.2    -1,-0.1     1,-0.1    -4,-0.0   0.988  96.2  27.4  68.6  83.5  -11.3  -17.4   41.8                           
   84   84   S  S    S+     0   0   82      0, 0.0    -2,-0.1     0, 0.0    -1,-0.1   0.603 124.3  51.3  54.4  46.6  -11.9  -14.1   43.2                           
   85   85   D  S >> S+     0   0   56     -7,-0.1     3,-4.2     0, 0.0     4,-1.3   0.014  99.8  56.4-130.7 -20.5   -8.5  -13.4   44.0                           
   86   86   A  H 3> S+     0   0    0      1,-0.4     4,-3.6     2,-0.3     6,-0.3   0.753 107.3  59.8 -57.6 -28.7   -6.6  -14.2   40.6                           
   87   87   I  H 34 S+     0   0   37      2,-0.3    -1,-0.4     3,-0.2    -9,-0.1  -0.020  89.3  60.4 -95.9  34.3   -9.1  -11.6   39.8                           
   88   88   K  H <4 S+     0   0  122     -3,-4.2     6,-3.0   -11,-0.1    -2,-0.3   0.308 115.3  39.7 -71.8 -31.4   -7.4   -9.5   42.2                           
   89   89   Y  H  < S+     0   0   46     -4,-1.3    -2,-0.3     4,-0.3    -3,-0.2   0.929 135.9  12.9 -69.1 -53.9   -4.8  -10.3   39.6                           
   90   90   C  S  < S+     0   0   18     -4,-3.6    -3,-0.2     2,-0.3   -12,-0.1  -0.057  99.2  80.4-144.2  35.4   -6.8  -10.1   36.3                           
   91   91   N  S    S-     0   0   49     -6,-0.2    -1,-0.2    -5,-0.1    -4,-0.1  -0.161 127.8-106.1 -69.4  15.0  -10.0   -8.5   37.0                           
   92   92   I  S    S+     0   0    9     -6,-0.3    -2,-0.3     2,-0.1    -3,-0.1   0.727  76.6 161.6  74.7  13.7   -6.8   -6.4   36.5                           
   93   93   G        +     0   0   24     -7,-0.2     2,-0.3     1,-0.1    -4,-0.3   0.725  50.5  16.1 -59.1 -43.3   -7.7   -6.5   40.2                           
   94   94   C     >  -     0   0   35     -6,-3.0     4,-1.6     1,-0.1    41,-0.1  -0.993  59.8-146.9-129.6 132.5   -4.2   -5.4   41.6                           
   95   95   S  H  > S+     0   0   25     -2,-0.3     4,-2.5     2,-0.2     5,-0.3   0.895  99.0  53.8 -59.1 -45.8   -1.2   -3.8   39.9                           
   96   96   S  H  > S+     0   0   71      1,-0.3     4,-2.2     2,-0.2    -1,-0.2   0.890 110.6  48.8 -63.0 -41.6    1.5   -5.4   41.9                           
   97   97   T  H  4 S+     0   0   19      1,-0.2    -1,-0.3     2,-0.2    -2,-0.2   0.903 108.0  55.9 -64.0 -37.1   -0.0   -8.7   41.1                           
   98   98   V  H >X S+     0   0    4     -4,-1.6     4,-1.1     1,-0.2     3,-1.1   0.917 110.5  40.8 -64.7 -42.2   -0.1   -7.7   37.5                           
   99   99   C  H 3X S+     0   0   13     -4,-2.5     4,-2.7     1,-0.2     5,-0.5   0.834 110.9  62.2 -69.9 -29.6    3.6   -6.9   37.1                           
  100  100   D  H 3< S+     0   0   92     -4,-2.2    -1,-0.2    -5,-0.3    -2,-0.2   0.009  99.7  55.5-101.2  31.9    4.3  -10.0   39.3                           
  101  101   N  H <> S+     0   0    8     -3,-1.1     4,-3.1   -12,-0.1     3,-0.4   0.588 118.8  24.6 -75.0 -82.9    2.8  -12.1   36.7                           
  102  102   M  H  X S+     0   0    2     -4,-1.1     4,-1.5     1,-0.3    -2,-0.2   0.815 133.9  38.3 -68.7 -35.7    4.7  -11.3   33.6                           
  103  103   N  H  < S+     0   0   75     -4,-2.7    -1,-0.3    -5,-0.3    -3,-0.2   0.699 111.7  59.4 -96.3 -14.2    7.8  -10.1   35.4                           
  104  104   H  H  4 S+     0   0  139     -5,-0.5     3,-0.3    -3,-0.4    -2,-0.2   0.793 106.2  49.1 -62.7 -40.0    7.5  -12.8   38.1                           
  105  105   V  H  <  +     0   0   27     -4,-3.1     2,-3.9     1,-0.2    -2,-0.2   0.997  59.8 159.5 -60.2 -55.7    7.8  -15.4   35.3                           
  106  106   S  S  < S+     0   0   62     -4,-1.5     2,-0.2    -5,-0.2    -1,-0.2  -0.166  74.3  57.6  56.1 -46.8   10.8  -14.0   33.6                           
  107  107   R        +     0   0  165     -2,-3.9    -3,-0.0    -3,-0.3     0, 0.0  -0.771  63.5  72.6-137.3 162.3   10.6  -17.8   32.5                           
  108  108   G  S    S+     0   0   83     -2,-0.2     4,-0.5     0, 0.0    -1,-0.2   0.001  94.5 167.7  83.4   0.7    8.2  -20.0   30.8                           
  109  109   E     >> +     0   0   53      2,-0.1     4,-8.0     3,-0.1     5,-0.7   0.327  25.3  82.7 -64.2 -45.0    9.9  -17.5   28.8                           
  110  110   E  T  45S+     0   0  149      1,-0.3     2,-1.3     2,-0.2   -74,-0.1  -0.332 112.8  13.1 -71.8 149.3    9.9  -17.5   25.2                           
  111  111   N  T  >5S+     0   0   94      1,-0.1     4,-3.7   -76,-0.1     5,-0.3  -0.665 133.3  54.4  70.2 -64.1    6.8  -15.8   24.0                           
  112  112   V  H  >5S+     0   0    9     -2,-1.3     4,-2.5    -4,-0.5    -2,-0.2   0.917 111.1  42.5 -60.6 -43.6    6.3  -14.6   27.6                           
  113  113   E  H  X5S+     0   0   77     -4,-8.0     4,-2.4     2,-0.2    -1,-0.2   0.902 117.2  48.2 -72.0 -40.0    9.6  -13.1   27.8                           
  114  114   L  H  >