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                                                                                                                         .
  119  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  7237.8   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   72 60.5   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                              .
    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                              .
    7  5.9   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    6  5.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   59 49.6   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  0  0  1  1  0  0  0  1  0  1  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   E              0   0  160      0, 0.0     2,-0.4     0, 0.0   112,-0.1   0.000 360.0 360.0 360.0-126.8    1.1   43.2   -5.4                           
    2    2   V    >   -     0   0   42    113,-0.0     3,-0.5     1,-0.0   113,-0.1  -0.961 360.0-136.9-126.0 134.5   -0.2   42.8   -8.9                           
    3    3   G  T 3  S+     0   0  101     -2,-0.4     3,-0.2     1,-0.2    -1,-0.0   0.396  95.4  75.7 -76.1   1.7   -2.0   45.7  -10.7                           
    4    4   G  T >>  +     0   0   41      1,-0.2     4,-1.4     2,-0.1     3,-1.0  -0.080  61.4 141.0 -93.3  19.9   -4.7   43.5  -12.1                           
    5    5   G  H <>  +     0   0   33     -3,-0.5     4,-2.9     1,-0.3     5,-0.2   0.639  59.8  50.1 -62.6 -39.0   -6.3   43.3   -8.7                           
    6    6   G  H 3> S+     0   0   55      2,-0.2     4,-2.9    -3,-0.2    -1,-0.3   0.897 106.3  54.5 -65.3 -43.9  -10.0   43.5   -9.5                           
    7    7   G  H <> S+     0   0   52     -3,-1.0     4,-2.2     1,-0.2    -1,-0.2   0.957 114.1  47.7 -57.9 -42.0   -9.9   40.7  -12.0                           
    8    8   S  H  < S+     0   0    8     -4,-1.4    -2,-0.2     1,-0.2    -1,-0.2   0.917 113.6  40.1 -62.9 -49.0   -8.3   38.7   -9.2                           
    9    9   Q  H  X S+     0   0   57     -4,-2.9     4,-1.2     1,-0.2    -1,-0.2   0.954 118.0  51.4 -66.5 -39.7  -10.5   39.4   -6.3                           
   10   10   Q  H  X S+     0   0   98     -4,-2.9     4,-1.2     1,-0.2    -2,-0.2   0.816 101.5  55.3 -70.0 -37.7  -13.5   39.1   -8.6                           
   11   11   C  H  X S+     0   0   24     -4,-2.2     4,-2.8    -5,-0.2    -1,-0.2   0.812 102.6  61.5 -58.3 -41.2  -12.9   35.7  -10.3                           
   12   12   P  H  4 S+     0   0   24      0, 0.0     5,-0.3     0, 0.0     6,-0.3   0.899 104.2  51.5 -55.0 -40.9  -12.6   34.2   -6.6                           
   13   13   Q  H  < S+     0   0  123     -4,-1.2    -2,-0.2     1,-0.2    -3,-0.1   0.914 112.2  40.5 -63.6 -46.3  -16.1   35.3   -6.2                           
   14   14   E  H  < S+     0   0  135     -4,-1.2    -1,-0.2     1,-0.3    -3,-0.1   0.846 112.2  57.6 -65.9 -39.5  -17.6   33.7   -9.3                           
   15   15   R  S  < S-     0   0   81     -4,-2.8     2,-2.9    -5,-0.1     3,-0.3  -0.756  76.3-168.1-102.8  86.5  -15.7   30.7   -9.0                           
   16   16   P    >>  +     0   0   77      0, 0.0     4,-0.9     0, 0.0     3,-0.7  -0.301  33.9 144.6 -74.4  52.9  -16.9   29.8   -5.5                           
   17   17   K  H 3>  +     0   0    6     -2,-2.9     4,-3.2    -5,-0.3     5,-0.2   0.685  54.6  71.0 -62.2 -29.2  -14.2   27.2   -5.3                           
   18   18   L  H 3> S+     0   0   43     -3,-0.3     4,-3.2    -6,-0.3    -1,-0.2   0.882  94.5  51.4 -62.9 -40.3  -13.6   27.7   -1.7                           
   19   19   S  H <> S+     0   0   55     -3,-0.7     4,-2.8     1,-0.2    -1,-0.2   0.930 111.6  47.5 -58.5 -48.9  -16.8   26.1   -0.7                           
   20   20   S  H  X S+     0   0    4     -4,-0.9     4,-2.1     1,-0.2    -1,-0.2   0.906 113.1  47.9 -65.8 -39.9  -16.1   23.1   -2.7                           
   21   21   C  H  X S+     0   0    5     -4,-3.2     4,-2.0     2,-0.2    -1,-0.2   0.915 112.1  50.3 -64.4 -38.4  -12.5   22.9   -1.3                           
   22   22   K  H  X S+     0   0   63     -4,-3.2     4,-2.8     1,-0.2    -2,-0.2   0.882 109.1  52.4 -62.8 -40.6  -13.8   23.3    2.3                           
   23   23   D  H  X S+     0   0   72     -4,-2.8     4,-3.4     2,-0.2    -1,-0.2   0.889 104.7  55.2 -61.1 -39.4  -16.3   20.6    1.6                           
   24   24   Y  H  X S+     0   0   10     -4,-2.1     4,-2.0     2,-0.2    -2,-0.2   0.924 110.2  45.9 -59.3 -44.9  -13.4   18.4    0.4                           
   25   25   V  H  X S+     0   0    8     -4,-2.0     4,-2.2     2,-0.3    -2,-0.2   0.889 110.7  51.4 -62.8 -44.8  -11.7   19.0    3.8                           
   26   26   M  H  X S+     0   0   39     -4,-2.8     4,-1.5     1,-0.2    -2,-0.2   0.922 111.1  51.9 -60.0 -42.0  -15.0   18.3    5.7                           
   27   27   E  H  X S+     0   0   61     -4,-3.4     4,-1.9     1,-0.2    -2,-0.3   0.891 106.1  51.5 -60.1 -41.1  -15.0   15.1    3.5                           
   28   28   R  H  X S+     0   0    1     -4,-2.0     4,-1.0     1,-0.2    -1,-0.2   0.872 102.5  59.6 -63.0 -38.2  -11.3   14.1    4.5                           
   29   29   C  H  < S+     0   0   40     -4,-2.2    -1,-0.2     1,-0.2    -2,-0.2   0.925 109.9  45.9 -56.0 -44.4  -12.2   14.4    8.1                           
   30   30   F  H  < S+     0   0  172     -4,-1.5    -2,-0.2    -5,-0.2    -1,-0.2   0.828 117.6  37.0 -64.5 -42.7  -14.8   11.8    7.3                           
   31   31   T  H  <  +     0   0   18     -4,-1.9     2,-4.1     1,-0.2    -3,-0.1   0.984  52.9 147.6 -76.0 -70.5  -12.8    9.3    5.3                           
   32   32   M  S >< S+     0   0   83     -4,-1.0     3,-0.7     1,-0.2    -1,-0.2  -0.250  78.4  63.5  59.3 -50.3   -9.3    8.9    6.7                           
   33   33   K  T 3  S+     0   0  186     -2,-4.1    -1,-0.2     1,-0.2    -2,-0.1   0.842  97.2  50.1 -65.0 -44.6   -9.7    5.4    5.5                           
   34   34   D  T 3  S+     0   0   98     -6,-0.1    -1,-0.2     2,-0.1    15,-0.1   0.272  89.0  91.0 -90.9   1.8  -10.1    5.9    1.8                           
   35   35   F    <   -     0   0   27     -3,-0.7     8,-0.0    -7,-0.1     0, 0.0  -0.871  63.1-125.6-137.5 111.6   -7.3    8.0    0.9                           
   36   36   P        -     0   0   13      0, 0.0     2,-0.3     0, 0.0     7,-0.1  -0.155  11.6-144.1 -67.3 156.8   -3.7    7.5   -0.4                           
   37   37   V        -     0   0   83      1,-0.1    56,-0.0     5,-0.1    60,-0.0  -0.969  66.1 -31.6-136.8 157.9   -0.4    8.9    0.9                           
   38   38   T  S    S+     0   0  110     -2,-0.3    -1,-0.1     1,-0.1     5,-0.1   0.512  73.5 155.9 -73.5 130.9    2.1    9.7   -1.4                           
   39   39   W        -     0   0  148      1,-0.1     4,-0.2    -3,-0.0     3,-0.1  -0.846  48.1-136.2-112.5 146.4    2.3    7.8   -4.6                           
   40   40   P  S    S+     0   0  127      0, 0.0     2,-0.3     0, 0.0     3,-0.2   0.801 105.2  28.0 -58.3 -32.8    3.6    8.4   -8.0                           
   41   41   T  S    S+     0   0  113      1,-0.2     3,-0.1     4,-0.0     0, 0.0  -0.984 122.4  17.5-143.1 143.7    0.4    6.8   -9.1                           
   42   42   K        +     0   0  108     -2,-0.3     2,-0.4     1,-0.2    -1,-0.2   0.939  57.2 141.8  59.9  61.8   -3.0    6.8   -7.3                           
   43   43   W  S    S-     0   0   35     -3,-0.2    -1,-0.2    -4,-0.2    -8,-0.1  -0.766 106.4 -39.4 -98.0  84.9   -2.8    9.4   -4.8                           
   44   44   W  S    S+     0   0   10     -2,-0.4     9,-0.1     3,-0.1     4,-0.1   0.983 140.7  76.7  47.5  54.3   -6.5   10.0   -5.7                           
   45   45   K  S    S+     0   0   99      2,-0.1     5,-0.3     8,-0.0     4,-0.0   0.146  85.2  52.6-120.6 -50.1   -5.9    9.5   -9.4                           
   46   46   G  S    S+     0   0   48      2,-0.1     2,-0.5     3,-0.1    -5,-0.0   0.642 107.8  39.8 -60.6 -40.0   -5.7    5.7   -9.8                           
   47   47   G  S    S-     0   0   21      0, 0.0     2,-1.8     0, 0.0     3,-0.2  -0.985 104.4-100.8-119.0 133.1   -8.7    4.2   -8.1                           
   48   48   C  S    S+     0   0  117     -2,-0.5    -2,-0.1     1,-0.2     3,-0.1  -0.341  90.3 102.7 -85.0  79.7  -11.6    6.3   -8.8                           
   49   49   E    >   +     0   0   48     -2,-1.8     3,-1.3   -15,-0.1    -1,-0.2   0.266  56.8 106.3 -84.0  -3.8  -12.5    8.7   -5.7                           
   50   50   H  T 3>  +     0   0   40      1,-0.3     4,-1.5    -5,-0.3     3,-0.2   0.154  40.9  94.8 -87.2  10.2  -10.9   11.4   -7.7                           
   51   51   E  H 3> S+     0   0  151      2,-0.2     4,-1.0     1,-0.2    -1,-0.3   0.796  80.6  62.8 -60.1 -35.6  -14.2   13.2   -8.6                           
   52   52   V  H <> S+     0   0   26     -3,-1.3     4,-1.7     2,-0.2     5,-0.2   0.792 100.9  51.6 -63.2 -38.0  -13.6   15.3   -5.7                           
   53   53   R  H  > S+     0   0    8     -3,-0.2     4,-4.3     2,-0.2     5,-0.4   0.990 114.8  40.6 -45.8 -71.9  -10.4   16.5   -7.4                           
   54   54   E  H  < S+     0   0  100     -4,-1.5    -2,-0.2     1,-0.3    -1,-0.2   0.400 109.4  59.9 -90.8   3.8  -12.1   17.5  -10.5                           
   55   55   K  H  X S+     0   0  116     -4,-1.0     4,-1.4     3,-0.1    -1,-0.3   0.825 121.3  24.9 -68.0 -53.7  -15.0   18.9   -8.8                           
   56   56   C  H  X S+     0   0    2     -4,-1.7     4,-1.9     1,-0.2    -2,-0.2   0.937 126.6  49.5 -87.4 -35.7  -12.9   21.4   -7.0                           
   57   57   C  H  X S+     0   0    6     -4,-4.3     4,-3.5     2,-0.2    -3,-0.2   0.822 105.9  57.1 -61.1 -37.0  -10.0   21.5   -9.6                           
   58   58   K  H  > S+     0   0  128     -5,-0.4     4,-1.9     2,-0.2    -1,-0.2   0.932 107.7  48.5 -62.0 -41.4  -12.5   21.9  -12.4                           
   59   59   Q  H  < S+     0   0   38     -4,-1.4    -2,-0.2     1,-0.2    -1,-0.2   0.948 114.6  44.9 -60.2 -46.8  -13.6   25.0  -10.6                           
   60   60   L  H  < S+     0   0    0     -4,-1.9    -2,-0.2     1,-0.2    -1,-0.2   0.815 108.7  55.8 -66.6 -35.5  -10.0   26.1  -10.2                           
   61   61   S  H  < S+     0   0   55     -4,-3.5     2,-1.8     1,-0.2    -1,-0.2   0.879  94.7  69.5 -62.1 -38.4   -9.2   25.3  -13.8                           
   62   62   Q  S  < S+     0   0  106     -4,-1.9     2,-0.3    -5,-0.2    -1,-0.2  -0.573  93.8  92.4 -79.1  66.5  -12.1   27.7  -14.9                           
   63   63   I  S    S-     0   0   33     -2,-1.8    -3,-0.0    -3,-0.2     3,-0.0  -0.887  81.6-105.8-161.7 163.4   -9.9   30.4  -13.7                           
   64   64   A    >>  -     0   0   41     -2,-0.3     3,-2.2   -57,-0.1     4,-1.1  -0.958  37.3-119.3-120.0 120.6   -7.3   33.0  -14.8                           
   65   65   P  H 3> S+     0   0   73      0, 0.0     4,-1.8     0, 0.0    46,-0.2   0.545 107.6  42.8 -57.1 -39.8   -3.9   32.3  -13.8                           
   66   66   Q  H 3> S+     0   0   42      1,-0.2     4,-1.8     2,-0.2     5,-0.1   0.891 118.9  51.4 -63.3 -39.5   -2.7   35.3  -11.6                           
   67   67   C  H <> S+     0   0    8     -3,-2.2     4,-3.7     1,-0.2    -1,-0.2   0.834 103.3  58.0 -59.3 -40.1   -6.3   35.0  -10.0                           
   68   68   R  H  X S+     0   0   18     -4,-1.1     4,-2.9     2,-0.2    -1,-0.2   0.925 105.0  47.8 -56.3 -47.2   -5.8   31.4   -9.4                           
   69   69   C  H  X S+     0   0    5     -4,-1.8     4,-2.0     2,-0.2    -2,-0.2   0.909 116.9  43.8 -61.9 -47.7   -2.7   31.9   -7.3                           
   70   70   D  H  X S+     0   0    3     -4,-1.8     4,-2.6     1,-0.2    -1,-0.2   0.873 114.6  51.8 -65.7 -39.2   -4.6   34.7   -5.3                           
   71   71   S  H  X S+     0   0    4     -4,-3.7     4,-3.8     2,-0.2     5,-0.3   0.890 105.8  51.3 -65.3 -40.5   -7.6   32.5   -5.1                           
   72   72   I  H  X S+     0   0    4     -4,-2.9     4,-2.5     1,-0.2     5,-0.2   0.947 114.1  48.6 -60.5 -46.6   -5.8   29.4   -3.7                           
   73   73   R  H  X S+     0   0   36     -4,-2.0     4,-1.6    -5,-0.2    -2,-0.2   0.936 118.7  34.5 -60.8 -48.4   -4.3   31.7   -1.1                           
   74   74   R  H  X S+     0   0   96     -4,-2.6     4,-3.6     2,-0.2    -2,-0.2   0.865 116.7  57.4 -72.9 -36.9   -7.6   33.4   -0.0                           
   75   75   V  H  X S+     0   0    9     -4,-3.8     4,-3.5    -5,-0.2     5,-0.3   0.903 107.8  44.7 -57.2 -45.7   -9.6   30.2   -0.5                           
   76   76   I  H  X S+     0   0   32     -4,-2.5     4,-2.4    -5,-0.3    -1,-0.2   0.934 117.2  46.2 -65.7 -43.7   -7.4   28.2    1.9                           
   77   77   Q  H  X S+     0   0  113     -4,-1.6     4,-2.7    -5,-0.2    -2,-0.2   0.927 118.8  44.1 -63.7 -43.7   -7.5   31.1    4.5                           
   78   78   G  H  X S+     0   0   29     -4,-3.6     4,-2.9     2,-0.2    -2,-0.2   0.885 109.5  51.2 -67.9 -42.2  -11.3   31.4    3.9                           
   79   79   R  H  X S+     0   0   10     -4,-3.5     4,-1.7     1,-0.2    -1,-0.2   0.927 116.1  45.5 -65.1 -39.1  -12.1   27.8    3.9                           
   80   80   L  H  < S+     0   0   51     -4,-2.4    -2,-0.2    -5,-0.3    -1,-0.2   0.926 113.0  48.1 -69.6 -38.4  -10.2   27.7    7.3                           
   81   81   G  H  < S+     0   0   66     -4,-2.7     3,-0.3     1,-0.2    -1,-0.2   0.887 110.1  53.2 -62.1 -40.4  -11.8   30.8    8.7                           
   82   82   G  H  < S+     0   0   62     -4,-2.9     2,-0.3     1,-0.3    -1,-0.2   0.807 131.2   3.3 -61.6 -39.7  -15.2   29.6    7.8                           
   83   83   F     <  -     0   0   96     -4,-1.7     2,-1.3    -5,-0.2    -1,-0.3  -0.891  66.2-151.3-149.0 117.7  -14.8   26.5    9.5                           
   84   84   L        +     0   0  120     -2,-0.3     2,-0.6    -3,-0.3    -4,-0.1  -0.747  20.8 174.4 -94.4  91.6  -11.8   25.3   11.4                           
   85   85   G        +     0   0    6     -2,-1.3     2,-0.3     6,-0.0    -2,-0.1  -0.838  10.2 157.3 -67.9 126.3  -11.7   21.7   11.1                           
   86   86   I        +     0   0   96     -2,-0.6     3,-0.1     1,-0.1    -2,-0.0  -0.781  19.8 171.0-108.4 159.3   -8.6   20.7   12.8                           
   87   87   W        -     0   0  166     -2,-0.3    -1,-0.1     0, 0.0     2,-0.0   0.517  53.1-128.3 -95.4 -67.9   -8.6   17.1   13.9                           
   88   88   R  S  > S+     0   0  198     -3,-0.0     4,-1.3     0, 0.0     3,-0.1  -0.629  93.0  34.2-144.0 -48.9   -5.0   18.0   14.5                           
   89   89   G  H  > S+     0   0   55      1,-0.2     4,-1.1     2,-0.2     0, 0.0   0.838 121.5  49.8 -63.3 -39.2   -3.0   15.3   12.7                           
   90   90   E  H  > S+     0   0    8      2,-0.2     4,-2.4     1,-0.2    -1,-0.2   0.816 100.5  61.4 -60.5 -38.0   -5.6   14.9    9.9                           
   91   91   V  H  > S+     0   0   24      1,-0.2     4,-2.1     2,-0.2    -1,-0.2   0.924 104.6  54.2 -59.6 -38.1   -5.8   18.7    9.2                           
   92   92   F  H  X S+     0   0  121     -4,-1.3     4,-1.7     2,-0.2    -1,-0.2   0.875 106.5  48.0 -57.6 -46.6   -2.0   18.1    8.4                           
   93   93   K  H  X S+     0   0   88     -4,-1.1     4,-2.0     1,-0.2    -1,-0.2   0.863 111.3  52.4 -62.6 -41.7   -2.9   15.3    5.8                           
   94   94   Q  H  X S+     0   0    4     -4,-2.4     4,-2.7     2,-0.2    -2,-0.2   0.871 103.0  55.1 -65.6 -40.4   -5.5   17.6    4.3                           
   95   95   L  H  X S+     0   0   70     -4,-2.1     4,-1.9     2,-0.2    -2,-0.2   0.922 109.3  49.8 -61.1 -42.3   -3.0   20.4    3.9                           
   96   96   Q  H  X S+     0   0   69     -4,-1.7     4,-1.6     1,-0.2    -2,-0.2   0.915 110.9  51.5 -60.2 -42.6   -0.8   17.8    1.9                           
   97   97   R  H  X S+     0   0    0     -4,-2.0     4,-1.7     1,-0.2    -2,-0.2   0.889 106.2  51.3 -62.0 -41.5   -3.9   17.0   -0.1                           
   98   98   A  H  < S+     0   0    5     -4,-2.7    -1,-0.2     1,-0.2    -2,-0.2   0.882 104.4  57.0 -60.8 -40.5   -4.6   20.6   -0.9                           
   99   99   Q  H  X S+     0   0  130     -4,-1.9     4,-1.7     1,-0.2    -1,-0.2   0.870 106.4  50.6 -58.4 -42.3   -1.1   21.1   -2.2                           
  100  100   S  H  X S+     0   0   13     -4,-1.6     4,-2.5     2,-0.2    -1,-0.2   0.878 108.2  53.0 -62.8 -39.2   -1.8   18.1   -4.6                           
  101  101   L  H  X S+     0   0    2     -4,-1.7     4,-1.6     2,-0.2     5,-0.2   0.924 108.3  51.5 -55.3 -49.8   -5.2   19.9   -5.9                           
  102  102   P  H  > S+     0   0   17      0, 0.0     4,-1.3     0, 0.0    -1,-0.2   0.940 114.6  43.2 -61.9 -46.5   -3.3   23.1   -6.6                           
  103  103   S  H  < S+     0   0   70     -4,-1.7    -2,-0.2     2,-0.2    -3,-0.1   0.871 109.4  50.1 -67.2 -40.8   -0.7   21.2   -8.7                           
  104  104   K  H  < S+     0   0   61     -4,-2.5    -1,-0.2     1,-0.2    -3,-0.1   0.993 113.1  46.4 -62.9 -49.5   -2.7   18.8  -10.8                           
  105  105   C  H  < S-     0   0   22     -4,-1.6    -1,-0.2    -5,-0.2    -2,-0.2   0.736 118.7-114.8 -68.7 -28.4   -5.1   21.3  -12.0                           
  106  106   N     <  +     0   0  104     -4,-1.3     2,-0.2    -5,-0.2    -3,-0.2   0.801  56.7 153.0  93.4 110.9   -2.2   23.8  -12.8                           
  107  107   M        -     0   0   33     -5,-0.1   -41,-0.1    -4,-0.1   -46,-0.0  -0.211  39.7-141.4 -86.2-169.1   -1.0   27.0  -11.7                           
  108  108   G        -     0   0   52     -2,-0.2    -5,-0.0   -43,-0.1    -2,-0.0   0.383  33.1-116.7 -88.4 -12.7    2.6   26.9  -12.3                           
  109  109   A  S    S+     0   0   37     -7,-0.1    -6,-0.0     3,-0.0     0, 0.0   0.690  93.1 125.4  53.9  36.4    3.1   28.7   -9.2                           
  110  110   D        +     0   0  111      2,-0.1     2,-0.2   -45,-0.1   -44,-0.1   0.413  38.5  92.6 -97.3  -3.9    4.2   30.5  -12.2                           
  111  111   C  S    S-     0   0    8    -46,-0.2     2,-0.5     7,-0.1     7,-0.1  -0.544  77.3-118.2 -93.5 152.0    2.0   33.5  -11.3                           
  112  112   K        -     0   0  138     -2,-0.2    -2,-0.1     5,-0.1   -43,-0.1  -0.798  21.9-173.1 -98.8 127.2    3.3   36.4   -9.4                           
  113  113   F  S  > S-     0   0   23     -2,-0.5     2,-1.7     6,-0.1     4,-1.5  -0.996  88.8 -22.4-129.1 139.2    2.0   37.4   -6.1                           
  114  114   P  T  4 S-     0   0   54      0, 0.0     2,-0.1     0, 0.0    -2,-0.1  -0.499 145.4 -24.6  25.1 -74.0    3.6   40.6   -5.1                           
  115  115   S  T  4 S-     0   0   77     -2,-1.7    -3,-0.1    -4,-0.1  -113,-0.0  -0.393 117.1 -44.7-153.8  87.5    6.3   39.6   -7.5                           
  116  116   G  T  4 S+     0   0   38     -2,-0.1    -4,-0.1     1,-0.1    -5,-0.0   0.648  94.0 122.6  73.0  12.7    6.9   36.1   -8.4                           
  117  117   Y     <  -     0   0  157     -4,-1.5    -5,-0.1     2,-0.1    -1,-0.1   0.679  58.2-158.5 -65.3 -27.6    6.7   35.1   -4.8                           
  118  118   Y              0   0  130     -5,-0.3    -6,-0.1    -7,-0.1    -7,-0.1   0.746 360.0 360.0  47.8  40.1    4.0   32.8   -6.3                           
  119  119   W              0   0  141     -6,-0.2    -6,-0.1   -47,-0.0    -2,-0.1  -0.777 360.0 360.0 168.2 360.0    2.4   32.5   -2.8