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                                                                                                                         .
  118  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  7286.0   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   69 58.5   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                              .
    0  0.0   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  0.8   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                              .
    8  6.8   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    2  1.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   55 46.6   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+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  0  0  1  0  0  0  1  0  1  0  1  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      .
  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    ANTIPARALLEL BRIDGES PER LADDER  .
  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    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   D              0   0  147      0, 0.0   113,-0.1     0, 0.0   111,-0.1   0.000 360.0 360.0 360.0 163.6    1.7   39.6  -16.2                           
    2    2   V        +     0   0   99      1,-0.1   109,-0.1   111,-0.1   110,-0.0   0.785 360.0 158.6 -62.5 -42.3   -1.2   41.1  -14.1                           
    3    3   A        -     0   0   79      1,-0.1     3,-0.2     2,-0.1     4,-0.2   0.567  34.6-178.1  55.4  37.0   -3.9   40.5  -16.8                           
    4    4   G        +     0   0   60      1,-0.2     2,-0.4     2,-0.1    -1,-0.1   0.088  29.5  39.6 -79.8 172.2   -6.9   40.6  -14.3                           
    5    5   G  S  > S+     0   0   37      1,-0.1     4,-1.9     0, 0.0    -1,-0.2  -0.379  93.6  72.7 108.9 -32.9  -10.3   40.5  -13.4                           
    6    6   G  H  > S+     0   0   39     -2,-0.4     4,-2.7    -3,-0.2     5,-0.2   0.907  99.2  56.4 -60.7 -40.9  -11.7   37.6  -15.5                           
    7    7   G  H  > S+     0   0    5     -4,-0.2     4,-1.9     1,-0.2    -1,-0.2   0.854 107.5  45.4 -54.7 -52.8   -9.8   35.4  -13.2                           
    8    8   A  H  4 S+     0   0   61      2,-0.2    -1,-0.2     1,-0.2    -2,-0.2   0.894 113.8  48.3 -62.7 -44.2  -11.5   36.8  -10.1                           
    9    9   Q  H  X S+     0   0  141     -4,-1.9     4,-1.5     1,-0.2    -2,-0.2   0.878 110.4  50.1 -63.9 -43.1  -15.0   36.6  -11.5                           
   10   10   Q  H  X S+     0   0   71     -4,-2.7     4,-3.0     1,-0.2    -1,-0.2   0.856 105.2  60.5 -63.5 -38.1  -14.6   33.0  -12.8                           
   11   11   C  H  < S+     0   0   13     -4,-1.9     5,-0.3     2,-0.2     6,-0.2   0.925 102.4  49.5 -51.3 -52.8  -13.4   32.0   -9.3                           
   12   12   P  H  4 S+     0   0  101      0, 0.0    -1,-0.2     0, 0.0    -2,-0.2   0.875 112.8  47.7 -60.4 -37.6  -16.6   33.1   -7.6                           
   13   13   V  H  < S+     0   0  111     -4,-1.5     2,-2.2     1,-0.2    -2,-0.2   0.917 101.8  69.6 -63.7 -41.7  -18.7   31.1  -10.3                           
   14   14   E  S  < S-     0   0   23     -4,-3.0     2,-4.2     1,-0.1     3,-0.5  -0.463  70.1-179.0 -78.0  74.6  -16.3   28.2   -9.7                           
   15   15   T     >  +     0   0   77     -2,-2.2     4,-0.6     1,-0.3     3,-0.5  -0.271  35.3 132.6 -81.1  57.7  -17.6   27.5   -6.2                           
   16   16   K  H  >  +     0   0    5     -2,-4.2     4,-3.0    -5,-0.3    -1,-0.3   0.589  58.5  75.0 -73.2 -15.6  -15.1   24.7   -5.9                           
   17   17   L  H  > S+     0   0   31     -3,-0.5     4,-3.5     1,-0.2     5,-0.2   0.865  87.6  60.3 -61.2 -36.5  -14.3   26.2   -2.6                           
   18   18   N  H  > S+     0   0   83     -3,-0.5     4,-1.7     1,-0.2    -1,-0.2   0.961 111.8  36.4 -62.5 -47.2  -17.5   24.7   -1.5                           
   19   19   S  H  X S+     0   0   13     -4,-0.6     4,-1.9     1,-0.2    -2,-0.2   0.884 116.5  54.3 -67.9 -38.8  -16.2   21.1   -2.4                           
   20   20   C  H  X S+     0   0   14     -4,-3.0     4,-1.9     2,-0.2    -1,-0.2   0.888 106.0  51.6 -65.0 -39.2  -12.7   22.0   -1.2                           
   21   21   R  H  X S+     0   0   71     -4,-3.5     4,-2.4     2,-0.2    -1,-0.2   0.869 107.0  54.1 -61.5 -39.3  -14.1   23.1    2.2                           
   22   22   N  H  X S+     0   0   86     -4,-1.7     4,-3.4    -5,-0.2    -1,-0.2   0.870 105.0  56.4 -60.2 -37.5  -15.8   19.8    2.4                           
   23   23   Y  H  X S+     0   0   16     -4,-1.9     4,-3.2     1,-0.2    -2,-0.2   0.910 105.2  49.3 -59.8 -42.9  -12.4   18.4    1.8                           
   24   24   L  H  X S+     0   0   30     -4,-1.9     4,-1.4     2,-0.2    -1,-0.2   0.916 113.5  45.1 -61.0 -44.9  -11.0   20.1    4.7                           
   25   25   L  H  X S+     0   0   76     -4,-2.4     4,-1.2     1,-0.2    -2,-0.2   0.905 116.8  48.7 -65.8 -40.0  -13.8   18.9    7.0                           
   26   26   D  H  X S+     0   0   30     -4,-3.4     4,-1.2     1,-0.2    -2,-0.2   0.851 103.0  58.8 -64.2 -37.2  -13.3   15.4    5.4                           
   27   27   R  H  < S+     0   0    4     -4,-3.2     3,-0.3     2,-0.2    -1,-0.2   0.858 102.2  55.4 -59.6 -38.1   -9.6   15.4    5.9                           
   28   28   C  H  < S+     0   0   29     -4,-1.4    -1,-0.2     1,-0.2    -2,-0.2   0.844 126.1  20.8 -58.2 -43.5  -10.3   15.8    9.6                           
   29   29   S  H  < S+     0   0   68     -4,-1.2     2,-0.4    -3,-0.1    -2,-0.2  -0.026  95.6  85.8-129.5  36.9  -12.5   12.7    9.5                           
   30   30   T  S  < S+     0   0    0     -4,-1.2    11,-1.0    -3,-0.3     2,-0.2  -0.798  86.9 152.6-102.8  79.3  -11.6   10.6    6.5                           
   31   31   M        -     0   0   60     -2,-0.4     9,-0.8     9,-0.2    -2,-0.1  -0.375  46.9 -36.4-144.9-175.2   -9.2    9.4    9.0                           
   32   32   K  S    S+     0   0  165      1,-0.2     2,-1.1    -2,-0.2    10,-0.1   0.343 100.7  75.6 -58.6 -26.4   -7.1    6.9   10.2                           
   33   33   D  S    S+     0   0  117     -2,-0.1    -1,-0.2     6,-0.1    -2,-0.1  -0.425  79.0  23.7-114.1  72.3   -9.1    3.8    9.5                           
   34   34   F  S    S-     0   0  103     -2,-1.1     2,-0.4    -4,-0.1     5,-0.1  -0.663  74.4 -91.6-174.7 153.3   -9.8    2.1    6.3                           
   35   35   P  S    S-     0   0   54      0, 0.0     3,-0.3     0, 0.0     5,-0.2  -0.618  72.6 -49.4 -64.1 127.6   -8.1    1.8    2.9                           
   36   36   V  S    S+     0   0   22      3,-0.8     3,-0.3    -2,-0.4     5,-0.1  -0.310 108.7  77.4 100.7-130.5   -8.8    4.1    0.2                           
   37   37   T  S    S-     0   0   93      1,-0.3    -1,-0.3    -2,-0.2    13,-0.2   0.439 122.1 -13.9  48.3-117.5  -12.5    4.4   -0.5                           
   38   38   W  S    S+     0   0  124     -3,-0.3    -1,-0.3    11,-0.1    -2,-0.2   0.842 123.5  41.0 -83.9 -20.3  -13.7    6.7    2.3                           
   39   39   R        +     0   0  111     -3,-0.3    -3,-0.8     1,-0.1    -8,-0.2  -0.480  63.7  58.5-145.7 160.7  -10.8    6.7    4.6                           
   40   40   W  S    S-     0   0   86     -9,-0.8     2,-4.9     1,-0.2    -9,-0.2   0.569  77.2-111.4  67.9  24.6   -7.1    6.8    5.8                           
   41   41   W  S    S+     0   0   62    -11,-1.0     2,-0.4    -5,-0.1    -1,-0.2   0.227  84.6 118.5  64.5 -28.6   -5.9   10.0    4.3                           
   42   42   K        -     0   0   95     -2,-4.9     2,-0.8   -10,-0.1    -6,-0.4  -0.666  67.8-135.5 -75.9 137.4   -3.7    8.1    2.0                           
   43   43   W        -     0   0   28     -2,-0.4     2,-0.3     5,-0.1     5,-0.1  -0.886  31.7-130.8 -91.8 117.4   -4.7    8.7   -1.5                           
   44   44   W        -     0   0  100     -2,-0.8    -3,-0.0     2,-0.2     4,-0.0  -0.593   6.7-127.0 -85.2 133.2   -4.4    5.2   -2.5                           
   45   45   K  S    S+     0   0  201     -2,-0.3     2,-0.5     2,-0.1     3,-0.3   0.787  97.0  61.7 -60.1 -39.2   -2.5    4.9   -5.6                           
   46   46   G  S    S-     0   0   45      1,-0.2    -2,-0.2     0, 0.0     0, 0.0  -0.806 122.6  -8.6 -83.4 128.1   -5.3    2.8   -7.2                           
   47   47   G  S    S-     0   0   78     -2,-0.5    -1,-0.2     1,-0.1    -3,-0.2   0.900  83.6-145.9  66.0  50.9   -8.7    4.5   -7.5                           
   48   48   C        -     0   0   56     -3,-0.3     5,-0.1     1,-0.2    -1,-0.1  -0.076  34.6 -73.4 -64.9 155.4   -8.1    7.8   -5.6                           
   49   49   Q    >>  -     0   0    1      1,-0.1     3,-1.3     3,-0.1     4,-0.9  -0.153  32.6-128.7 -69.7 150.1  -10.9    9.2   -3.7                           
   50   50   E  H 3> S+     0   0  175      1,-0.3     4,-2.5     2,-0.2     5,-0.1   0.610 103.9  71.3 -61.2 -25.1  -13.7   10.9   -5.5                           
   51   51   L  H 3> S+     0   0   31      1,-0.2     4,-1.7     2,-0.2    -1,-0.3   0.891 100.8  47.7 -60.2 -43.5  -13.4   14.0   -3.3                           
   52   52   L  H <> S+     0   0   11     -3,-1.3     4,-3.0     1,-0.2    -1,-0.2   0.893 109.8  51.3 -63.3 -44.1  -10.1   14.7   -5.1                           
   53   53   G  H  X S+     0   0   41     -4,-0.9     4,-2.6     1,-0.2    -1,-0.2   0.893 106.1  53.7 -64.8 -41.9  -11.5   14.2   -8.5                           
   54   54   E  H  X S+     0   0  115     -4,-2.5     4,-1.3     1,-0.2    -1,-0.2   0.924 115.4  39.5 -60.6 -46.4  -14.5   16.6   -7.9                           
   55   55   C  H  X S+     0   0    3     -4,-1.7     4,-1.9     1,-0.2    -2,-0.2   0.905 114.4  55.0 -67.0 -40.1  -12.2   19.5   -6.8                           
   56   56   C  H  X S+     0   0   19     -4,-3.0     4,-2.7     1,-0.2    -2,-0.2   0.863 104.2  54.9 -62.9 -36.1   -9.7   18.6   -9.5                           
   57   57   S  H  X S+     0   0   53     -4,-2.6     4,-2.0     1,-0.2    -1,-0.2   0.883 105.0  51.7 -60.4 -42.9  -12.3   18.8  -12.2                           
   58   58   R  H  X S+     0   0   70     -4,-1.3     4,-1.5     1,-0.2    -1,-0.2   0.901 114.1  43.6 -62.3 -44.7  -13.3   22.2  -11.3                           
   59   59   L  H  < S+     0   0    4     -4,-1.9    -2,-0.2     2,-0.2    -1,-0.2   0.896 108.8  54.5 -66.5 -40.9   -9.6   23.4  -11.4                           
   60   60   G  H  < S+     0   0   40     -4,-2.7    -1,-0.2     1,-0.2    -2,-0.2   0.891 114.7  45.2 -61.3 -40.0   -8.7   21.6  -14.7                           
   61   61   Q  H  < S+     0   0  118     -4,-2.0    -2,-0.2    -5,-0.2    -1,-0.2   0.710  93.3  89.7 -68.9 -30.3  -11.8   23.6  -16.1                           
   62   62   M  S  < S-     0   0    2     -4,-1.5     5,-0.1    -5,-0.1   -55,-0.0  -0.467  98.8 -96.2 -60.4 137.6  -10.8   26.8  -14.5                           
   63   63   P     >  -     0   0   51      0, 0.0     4,-3.3     0, 0.0     5,-0.2  -0.321  32.0-111.9 -65.2 151.9   -8.6   28.7  -17.1                           
   64   64   P  H  > S+     0   0   53      0, 0.0     4,-1.4     0, 0.0    43,-0.1   0.831 116.9  39.4 -51.5 -49.7   -4.7   28.3  -16.7                           
   65   65   Q  H  > S+     0   0   77      1,-0.2     4,-1.1     2,-0.2    46,-0.6   0.886 121.2  47.8 -63.9 -39.8   -3.9   31.9  -15.8                           
   66   66   C  H  > S+     0   0   10      1,-0.2     4,-3.9     2,-0.2    -1,-0.2   0.792 101.3  64.2 -66.8 -38.8   -7.0   31.9  -13.6                           
   67   67   R  H  X S+     0   0    9     -4,-3.3     4,-2.3     1,-0.2    -1,-0.2   0.865 101.3  51.4 -57.1 -41.5   -6.1   28.5  -12.1                           
   68   68   C  H  X S+     0   0    8     -4,-1.4     4,-1.5    -5,-0.2    -1,-0.2   0.926 116.1  38.6 -60.4 -48.9   -3.1   30.1  -10.5                           
   69   69   N  H  X S+     0   0   37     -4,-1.1     4,-2.8     2,-0.2    -2,-0.2   0.859 114.2  56.5 -65.3 -40.7   -5.2   33.0   -9.0                           
   70   70   I  H  X S+     0   0    1     -4,-3.9     4,-3.4     1,-0.2     5,-0.2   0.905 105.3  50.1 -67.6 -38.4   -8.1   30.7   -8.2                           
   71   71   I  H  X S+     0   0   14     -4,-2.3     4,-2.9     2,-0.2     5,-0.3   0.924 113.0  46.8 -60.4 -45.8   -5.8   28.4   -6.1                           
   72   72   Q  H  X S+     0   0   92     -4,-1.5     4,-1.7     1,-0.2    -2,-0.2   0.928 117.7  41.9 -60.9 -45.4   -4.4   31.3   -4.1                           
   73   73   G  H  X S+     0   0   37     -4,-2.8     4,-2.9     1,-0.2    -2,-0.2   0.898 117.3  47.1 -68.0 -44.3   -7.9   32.9   -3.5                           
   74   74   S  H  X S+     0   0    2     -4,-3.4     4,-3.4    -5,-0.2     5,-0.2   0.891 109.3  52.0 -65.8 -42.2   -9.5   29.5   -2.7                           
   75   75   I  H  X S+     0   0   82     -4,-2.9     4,-1.7    -5,-0.2    -1,-0.2   0.935 116.6  41.4 -62.6 -44.9   -6.8   28.2   -0.3                           
   76   76   Q  H  X S+     0   0  122     -4,-1.7     4,-1.8    -5,-0.3    -2,-0.2   0.924 116.4  49.6 -65.0 -44.0   -7.1   31.5    1.7                           
   77   77   G  H  X S+     0   0   24     -4,-2.9     4,-3.1     1,-0.2    -2,-0.2   0.860 108.3  52.4 -66.7 -37.2  -10.8   31.6    1.5                           
   78   78   D  H  X S+     0   0   12     -4,-3.4     4,-1.8     1,-0.2    -1,-0.2   0.911 107.5  50.5 -62.9 -44.3  -11.3   28.0    2.6                           
   79   79   L  H  < S+     0   0   71     -4,-1.7    -1,-0.2    -5,-0.2    -2,-0.2   0.901 115.5  44.0 -62.5 -41.4   -9.3   28.5    5.6                           
   80   80   G  H  < S+     0   0   66     -4,-1.8     3,-0.3     1,-0.2    -2,-0.2   0.908 108.4  56.2 -65.3 -44.0  -11.4   31.6    6.5                           
   81   81   G  H  < S+     0   0   44     -4,-3.1     2,-0.3     1,-0.3    -2,-0.2   0.841 136.3   0.6 -59.8 -37.3  -14.8   30.1    5.7                           
   82   82   I  S  < S-     0   0   57     -4,-1.8    -1,-0.3    -5,-0.1   -58,-0.0  -0.903  70.9-157.7-148.3 119.2  -14.0   27.4    8.1                           
   83   83   F        -     0   0  152     -3,-0.3    -2,-0.1    -2,-0.3    -1,-0.1   0.956  33.2-136.5 -66.9 -43.4  -10.7   27.7    9.9                           
   84   84   G        -     0   0    9     -4,-0.1     2,-0.6    -3,-0.1   -59,-0.1   0.116   8.1-119.1  84.2 150.5  -10.5   24.0   10.7                           
   85   85   F        +     0   0  176     -2,-0.1     2,-0.2     2,-0.0    -1,-0.1  -0.899  60.2 119.1-134.0  96.5   -9.4   23.2   14.1                           
   86   86   Q        -     0   0   60     -2,-0.6     2,-0.3     3,-0.1   -58,-0.0  -0.752  39.4-172.3-139.7 170.1   -6.2   21.1   13.8                           
   87   87   R  S    S+     0   0  201     -2,-0.2     2,-5.6     0, 0.0    -2,-0.0  -0.702  92.6   7.1-151.6 163.5   -2.6   20.3   14.4                           
   88   88   D  S  > S+     0   0   97     -2,-0.3     4,-2.2     1,-0.3     5,-0.2  -0.195 127.4  63.9  69.8 -60.5   -0.8   17.4   12.9                           
   89   89   R  H  > S+     0   0   86     -2,-5.6     4,-2.4     1,-0.2    -1,-0.3   0.952 101.1  51.5 -64.8 -39.5   -4.1   17.0   10.9                           
   90   90   A  H  > S+     0   0   24      1,-0.2     4,-2.5     2,-0.2    -1,-0.2   0.882 107.1  50.2 -60.7 -42.9   -3.5   20.4    9.3                           
   91   91   S  H  > S+     0   0   54      1,-0.2     4,-1.5     2,-0.2    -1,-0.2   0.907 111.5  50.9 -61.6 -39.9    0.1   19.6    8.2                           
   92   92   K  H  X S+     0   0   84     -4,-2.2     4,-1.5     1,-0.2    -2,-0.2   0.919 111.5  44.9 -64.8 -42.4   -1.1   16.4    6.7                           
   93   93   V  H  X S+     0   0    5     -4,-2.4     4,-2.7     1,-0.2    -2,-0.2   0.854 107.2  59.6 -68.5 -34.5   -4.0   18.1    4.6                           
   94   94   I  H  X S+     0   0   90     -4,-2.5     4,-2.0     2,-0.2    -1,-0.2   0.903 102.4  52.8 -62.1 -39.2   -1.7   21.0    3.5                           
   95   95   Q  H  X S+     0   0  102     -4,-1.5     4,-1.9     1,-0.2    -1,-0.2   0.939 114.2  44.8 -57.3 -48.0    0.6   18.4    1.8                           
   96   96   E  H  X S+     0   0    2     -4,-1.5     4,-2.1     2,-0.2    -2,-0.2   0.790 105.3  57.3 -67.7 -31.7   -2.6   17.1    0.1                           
   97   97   A  H  < S+     0   0   33     -4,-2.7    -1,-0.2     2,-0.2    -2,-0.2   0.908 108.5  49.1 -62.6 -41.1   -3.9   20.4   -0.8                           
   98   98   K  H  < S+     0   0  132     -4,-2.0    -2,-0.2     1,-0.2    -1,-0.2   0.897 110.4  52.4 -60.9 -44.9   -0.6   20.9   -2.7                           
   99   99   N  H  X S+     0   0   64     -4,-1.9     4,-2.6     1,-0.2    -2,-0.2   0.839  99.1  60.7 -62.7 -35.2   -1.1   17.5   -4.3                           
  100  100   L  H  X S+     0   0   13     -4,-2.1     4,-2.1     1,-0.2    -1,-0.2   0.936 110.7  42.9 -57.0 -46.6   -4.6   18.3   -5.5                           
  101  101   P  H  > S+     0   0   14      0, 0.0     4,-3.8     0, 0.0    -2,-0.2   0.958 111.2  52.8 -65.7 -48.3   -3.0   21.2   -7.6                           
  102  102   P  H  4 S+     0   0   94      0, 0.0    -2,-0.2     0, 0.0    -3,-0.2   0.896 113.4  45.8 -61.8 -34.5    0.0   19.1   -8.8                           
  103  103   R  H  < S+     0   0  115     -4,-2.6    -3,-0.1     1,-0.2    -4,-0.1   0.918 119.3  39.4 -64.0 -45.8   -2.5   16.4  -10.1                           
  104  104   C  H  < S+     0   0   29     -4,-2.1    -1,-0.2    -5,-0.2    -4,-0.1   0.926 103.8 111.3 -61.8 -47.9   -4.8   18.9  -11.7                           
  105  105   N     <  +     0   0   29     -4,-3.8   -45,-0.1    -5,-0.2   -49,-0.0  -0.150  46.0 170.3 -94.3 146.0   -2.2   21.1  -13.1                           
  106  106   Q        -     0   0  145    -46,-0.1    -1,-0.1    -2,-0.0   -46,-0.0   0.706  51.1-154.4 -62.9 -42.1   -0.4   22.4  -16.0                           
  107  107   G        -     0   0   27     -6,-0.1   -42,-0.1   -43,-0.1    -2,-0.0   0.927  19.2-159.4  63.8  53.9    0.9   24.8  -13.3                           
  108  108   P        -     0   0   19      0, 0.0    -1,-0.1     0, 0.0    -3,-0.0   0.182  34.1 -96.2 -70.0 170.8    1.8   27.8  -15.3                           
  109  109   P  S    S-     0   0   83      0, 0.0     9,-0.2     0, 0.0   -44,-0.0   0.776  72.1-169.5 -55.0 -31.6    3.9   30.9  -15.2                           
  110  110   C        -     0   0    3      7,-0.1     5,-0.2     1,-0.1   -45,-0.1   0.561  32.3 -87.6  75.2 154.2    0.8   32.8  -14.0                           
  111  111   N  S    S+     0   0    8    -46,-0.6     4,-0.2  -109,-0.1    -1,-0.1   0.877  79.9 114.6 -62.6 -38.9   -0.5   36.3  -13.3                           
  112  112   I  S >  S-     0   0   47    -47,-0.2     3,-2.0     1,-0.2     6,-0.1  -0.091  80.2-121.7 -69.7 126.0    0.7   36.7   -9.9                           
  113  113   P  T 3  S+     0   0   81      0, 0.0    -1,-0.2     0, 0.0  -111,-0.1   0.463  98.8  55.8 -54.2 -32.1    2.9   39.5  -10.9                           
  114  114   G  T 3  S+     0   0   78      1,-0.1     2,-0.7  -113,-0.1     3,-0.2   0.561  87.8 127.3 -79.3   0.9    6.4   38.6  -10.0                           
  115  115   T    <   +     0   0   30     -3,-2.0    -1,-0.1    -4,-0.2     0, 0.0  -0.615  23.2 139.6 -96.8 114.7    6.2   35.4  -11.9                           
  116  116   I  S    S+     0   0  156     -2,-0.7    -1,-0.2     2,-0.0    -6,-0.0   0.729  96.3  34.9 -62.7 -43.9    8.2   33.7  -14.5                           
  117  117   G              0   0   57      1,-0.2    -7,-0.1    -3,-0.2    -2,-0.1   0.966 360.0 360.0 -87.9 -50.0    7.7   30.3  -12.6                           
  118  118   Y              0   0  113     -9,-0.2    -1,-0.2    -6,-0.1    -2,-0.0  -0.994 360.0 360.0-176.3 360.0    4.2   29.9  -10.9