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)                .
  5954.2   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   68 57.6   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                              .
    4  3.4   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                              .
    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                              .
    9  7.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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                              .
   50 42.4   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    3  2.5   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  2  0  0  0  1  1  0  0  0  0  0  0  0  1  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  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   Q              0   0  107      0, 0.0     4,-0.1     0, 0.0     2,-0.1   0.000 360.0 360.0 360.0 179.7   27.5   18.4   21.4                           
    2    2   N        -     0   0    8      2,-0.2     3,-0.1     3,-0.1    88,-0.1  -0.312 360.0-114.8 -59.3 143.9   24.2   17.8   22.9                           
    3    3   Q  S    S+     0   0  190      1,-0.3     2,-1.3     2,-0.1    -1,-0.1   0.946 123.0  51.9 -60.1 -39.3   23.3   20.7   25.1                           
    4    4   V  S    S+     0   0   16      1,-0.2    -1,-0.3     2,-0.1    -2,-0.2  -0.798  73.7 164.7 -90.6  96.1   23.5   18.0   27.8                           
    5    5   E        +     0   0   76     -2,-1.3    -1,-0.2    -4,-0.1    -3,-0.1   0.591  24.8 177.7 -68.0 -16.3   26.9   17.0   26.7                           
    6    6   A        +     0   0   18      1,-0.1     2,-1.0    -3,-0.1    40,-0.1   0.477  46.1 171.7 -73.5 131.9   27.2   15.2   29.8                           
    7    7   N  E     +A   41   0A   1     34,-2.0    34,-2.1    38,-0.1     2,-0.6  -0.756  40.7 168.8 -91.5  74.6   30.0   13.1   31.1                           
    8    8   I  E     -A   40   0A  17     -2,-1.0     2,-0.3    32,-0.2    32,-0.2  -0.863  16.0-159.7-101.0 126.9   27.9   13.3   34.1                           
    9    9   C  E     +A   39   0A   0     30,-2.2    30,-1.7    -2,-0.6    27,-0.1  -0.837  23.7 179.0-125.7 148.8   29.2   10.9   36.5                           
   10   10   C        -     0   0    0     -2,-0.3    42,-0.3    28,-0.2     3,-0.1  -0.775  26.3-137.4-128.9 156.8   28.1    9.1   39.5                           
   11   11   P  S    S+     0   0   58      0, 0.0     2,-0.3     0, 0.0    40,-0.1   0.769  86.1   1.1 -92.8 -17.3   30.0    6.5   41.6                           
   12   12   N  S  > S-     0   0   63      1,-0.0     4,-2.5    -3,-0.0     3,-0.4  -0.949  81.9 -97.4-153.1 166.2   27.3    4.2   42.0                           
   13   13   T  H  > S+     0   0   23     -2,-0.3     4,-3.2     1,-0.3     5,-0.3   0.794 122.8  65.6 -65.0 -22.3   23.7    3.9   40.9                           
   14   14   T  H  > S+     0   0   88      2,-0.2     4,-1.5     1,-0.2    -1,-0.3   0.941 109.7  40.6 -60.4 -43.4   22.8    5.3   44.2                           
   15   15   A  H  > S+     0   0    5     -3,-0.4     4,-3.0     2,-0.2     5,-0.3   0.917 115.3  51.2 -61.2 -40.1   24.5    8.3   42.8                           
   16   16   R  H  X S+     0   0   26     -4,-2.5     4,-2.2     2,-0.2    -2,-0.2   0.909 107.4  49.8 -63.7 -42.4   23.1    7.9   39.4                           
   17   17   S  H  X S+     0   0   15     -4,-3.2     4,-2.7     1,-0.2    -1,-0.2   0.907 114.1  51.1 -63.7 -39.9   19.6    7.6   40.5                           
   18   18   N  H  X S+     0   0   61     -4,-1.5     4,-2.5    -5,-0.3     5,-0.3   0.914 106.9  46.8 -68.5 -40.0   20.3   10.8   42.5                           
   19   19   F  H  X S+     0   0    1     -4,-3.0     4,-2.0     1,-0.2    -1,-0.2   0.883 117.1  52.7 -69.7 -26.2   21.8   13.0   39.7                           
   20   20   N  H  X S+     0   0    1     -4,-2.2     4,-2.9    -5,-0.3    96,-0.5   0.982 109.8  44.1 -56.4 -53.5   18.6   11.6   37.8                           
   21   21   V  H  < S+     0   0   33     -4,-2.7     5,-0.2     1,-0.3    -2,-0.2   0.857 113.6  48.5 -62.5 -48.0   16.2   12.6   40.3                           
   22   22   C  H  X>S+     0   0   19     -4,-2.5     5,-2.3     1,-0.2     4,-1.4   0.920 116.1  47.0 -57.6 -42.5   17.6   16.0   40.9                           
   23   23   R  H  <5S+     0   0   12     -4,-2.0     3,-0.5     1,-0.3    -2,-0.2   0.924 112.1  46.6 -63.7 -47.6   17.7   16.5   37.2                           
   24   24   L  T  <5S+     0   0   13     -4,-2.9    -1,-0.3    90,-0.5    -2,-0.2   0.780 105.4  57.4 -72.8 -32.6   14.3   15.3   36.5                           
   25   25   P  T  45S-     0   0   83      0, 0.0    -1,-0.3     0, 0.0    -2,-0.2   0.891 127.9-100.7 -70.4 -23.7   12.5   17.3   39.4                           
   26   26   G  T  <5S+     0   0   43     -4,-1.4     2,-0.2    -3,-0.5    -3,-0.2   0.535  76.2 142.7 131.9  18.8   14.1   20.2   37.6                           
   27   27   T      < -     0   0   64     -5,-2.3    -1,-0.3    -6,-0.2     5,-0.2  -0.608  58.4 -80.7-114.2 140.5   17.2   21.0   39.7                           
   28   28   A     >  -     0   0   39     -2,-0.2     4,-3.7     3,-0.1     5,-0.3   0.072  24.8-122.8 -88.6 161.0   20.3   22.0   37.7                           
   29   29   E  H  > S+     0   0   36      1,-0.3     4,-2.4     2,-0.2     5,-0.1   0.887 115.0  41.3 -53.5 -52.5   23.0   19.9   35.9                           
   30   30   P  H  > S+     0   0   84      0, 0.0     4,-2.7     0, 0.0    -1,-0.3   0.891 116.9  53.8 -61.7 -37.7   26.0   21.2   37.9                           
   31   31   I  H  > S+     0   0   80      2,-0.2     4,-3.3     1,-0.2    -2,-0.2   0.902 106.8  48.2 -63.5 -42.7   23.8   21.0   41.0                           
   32   32   C  H  X S+     0   0    0     -4,-3.7     4,-1.6     1,-0.2    -1,-0.2   0.921 113.6  47.3 -64.8 -39.9   22.8   17.5   40.6                           
   33   33   A  H  <>S+     0   0    1     -4,-2.4     5,-2.5    -5,-0.3     3,-0.3   0.947 115.4  44.3 -64.2 -44.9   26.3   16.6   40.0                           
   34   34   T  H  <5S+     0   0  105     -4,-2.7    -2,-0.2     1,-0.2    -1,-0.2   0.838 112.7  55.8 -67.5 -33.3   27.6   18.7   43.3                           
   35   35   D  H  <5S+     0   0   99     -4,-3.3     2,-0.4    -5,-0.2    -1,-0.2   0.840 109.5  46.7 -62.0 -38.2   24.7   17.2   45.1                           
   36   36   T  T  <5S-     0   0    3     -4,-1.6     2,-5.4    -3,-0.3   -27,-0.1  -0.819 111.8-106.8-102.7 140.8   25.8   13.8   44.3                           
   37   37   G  T   5S+     0   0   60     -2,-0.4    -3,-0.2     2,-0.0     2,-0.1  -0.030  91.3 110.4 -84.5  53.2   29.5   13.7   45.0                           
   38   38   C      < -     0   0   18     -2,-5.4     2,-0.3    -5,-2.5   -28,-0.2  -0.182  55.0-132.4-143.2 177.0   29.6   13.8   41.3                           
   39   39   I  E     -A    9   0A  41    -30,-1.7   -30,-2.2    -2,-0.1     2,-0.5  -0.934  12.3-138.1-152.2 153.7   30.5   15.6   38.2                           
   40   40   I  E     -A    8   0A  54     -2,-0.3   -32,-0.2   -32,-0.2     6,-0.0  -0.944  23.0-169.8-126.0 114.3   29.8   17.0   34.7                           
   41   41   I  E     -A    7   0A  49    -34,-2.1   -34,-2.0    -2,-0.5    -2,-0.0  -0.888  20.5-147.8 -92.8 130.1   32.6   16.8   32.5                           
   42   42   P  S    S+     0   0   86      0, 0.0    -1,-0.1     0, 0.0   -34,-0.1   0.574  73.9  96.6 -62.0 -13.5   32.3   18.6   29.2                           
   43   43   G  S    S-     0   0   17      2,-0.3    -2,-0.1   -36,-0.1     3,-0.0   0.273  87.3-113.8 -72.7 178.9   34.5   16.0   27.8                           
   44   44   A  S    S+     0   0   68    -37,-0.0     2,-0.4     2,-0.0    -1,-0.1   0.495  98.2  57.1 -94.3  -1.0   34.0   12.7   25.9                           
   45   45   T  S    S-     0   0   98    -38,-0.1    -2,-0.3     6,-0.0   -38,-0.1  -0.958  83.4-121.6-118.7 141.4   35.4   10.6   28.8                           
   46   46   C        -     0   0   14     -2,-0.4     5,-0.1     1,-0.1   -38,-0.1  -0.583  43.1-104.9 -57.6 146.4   34.2   10.4   32.4                           
   47   47   P        -     0   0   18      0, 0.0    -1,-0.1     0, 0.0    -8,-0.0   0.017  18.0-119.6 -62.7 170.5   37.0   11.3   34.8                           
   48   48   G  S    S+     0   0   87      2,-0.2     3,-0.3     1,-0.1    -2,-0.0   0.369 117.1  69.2-103.1   2.1   38.9    8.7   36.8                           
   49   49   D  S    S+     0   0  135      1,-0.2     2,-0.3     0, 0.0    -1,-0.1   0.834 123.8  10.8 -62.4 -46.8   37.7   10.5   39.7                           
   50   50   Y        +     0   0   72    -12,-0.0     2,-0.5   -41,-0.0    -1,-0.2  -0.755  62.5 143.4-131.2 109.9   34.6    9.0   38.3                           
   51   51   A        +     0   0   65     -2,-0.3   -42,-0.0    -3,-0.3    -3,-0.0  -0.876  24.1 152.6-110.8 103.5   34.2    6.4   35.7                           
   52   52   N        +     0   0   19     -2,-0.5    -1,-0.1   -42,-0.3   -39,-0.1   0.684  20.8 169.6 -63.0 -34.3   31.3    4.8   37.3                           
   53   53   N        +     0   0   22     -3,-0.1     4,-0.1   -43,-0.1    -2,-0.1   0.663  11.2 151.1 -56.3 134.5   30.0    3.7   34.1                           
   54   54   I  S  > S+     0   0   21      3,-0.1     4,-1.9     2,-0.1     7,-0.3   0.798  74.0  34.5-113.1 -54.9   27.3    1.2   34.3                           
   55   55   L  T  4 S+     0   0   10      1,-0.2     9,-0.1     2,-0.2    26,-0.1   0.781 125.2  52.3 -63.7 -20.4   24.8    1.2   31.5                           
   56   56   K  T  4 S+     0   0   43      1,-0.2    -1,-0.2     2,-0.1    -2,-0.1   0.786  99.2  55.8 -85.8 -35.0   28.0    2.1   29.4                           
   57   57   N  T  4 S-     0   0   70      2,-0.1    -2,-0.2    -3,-0.1    -1,-0.2   0.823  97.8-160.6 -61.1 -39.1   30.2   -0.6   30.5                           
   58   58   S     <  +     0   0   56     -4,-1.9     2,-0.2     5,-0.0    -3,-0.1   0.664  62.2  45.1  54.4  19.0   27.3   -2.3   29.2                           
   59   59   A        +     0   0   59     -5,-0.3    -2,-0.1     4,-0.0     3,-0.1  -0.662  69.9  83.7-132.5-140.2   27.9   -5.4   30.9                           
   60   60   Q  S    S+     0   0  161     -2,-0.2     2,-0.4    -3,-0.1    -5,-0.1  -0.568 105.9  80.7  64.8 -44.7   28.9   -5.9   34.5                           
   61   61   G        +     0   0    9     -7,-0.3     4,-0.0     1,-0.2    -1,-0.0  -0.815  38.9 159.0-120.3 130.2   25.2   -5.5   34.2                           
   62   62   N  S  > S+     0   0  134     -2,-0.4     4,-3.8     2,-0.1     5,-0.2  -0.000 104.9  77.5 -67.3 -12.0   21.9   -6.7   33.6                           
   63   63   A  T  4 S+     0   0   30      2,-0.3    -8,-0.2     1,-0.3    -9,-0.0   0.329  80.4  59.8 -92.8   1.7   22.2   -3.5   35.7                           
   64   64   V  T  > S+     0   0    9     -9,-0.1     4,-2.4     3,-0.1    -1,-0.3   0.795 113.9  38.4 -59.4 -62.9   22.8   -1.9   32.5                           
   65   65   N  H  > S+     0   0   69      1,-0.2     4,-3.4     2,-0.2    -2,-0.3   0.932 123.2  35.1 -73.6 -44.4   19.4   -3.2   31.8                           
   66   66   E  H  X S+     0   0  111     -4,-3.8     4,-2.1     2,-0.3    -1,-0.2   0.946 118.3  51.3 -70.9 -42.2   17.4   -2.9   35.1                           
   67   67   Y  H  > S+     0   0   99      1,-0.2     4,-1.2    -5,-0.2    -1,-0.2   0.870 117.1  44.0 -66.7 -30.6   19.1    0.4   36.1                           
   68   68   C  H  X S+     0   0    1     -4,-2.4     4,-4.1     2,-0.2     6,-0.4   0.873 102.3  57.6 -72.8 -39.2   18.1    1.5   32.6                           
   69   69   K  H  < S+     0   0  115     -4,-3.4    -2,-0.2     4,-0.3    -1,-0.2   0.907 110.7  57.2 -55.5 -27.8   14.5    0.1   32.5                           
   70   70   W  H  < S+     0   0   89     -4,-2.1    -2,-0.2    -5,-0.2    -1,-0.2   0.889 128.8   6.6 -61.6 -49.9   14.7    2.5   35.6                           
   71   71   G  H  < S+     0   0    5     -4,-1.2    44,-0.8    -3,-0.2    -2,-0.2   0.458 143.3  17.3-107.0 -11.0   15.8    5.7   33.8                           
   72   72   C  S  < S-     0   0   11     -4,-4.1    27,-0.0    -7,-0.2    34,-0.0  -0.358  86.5-105.6-126.8-160.0   15.6    4.5   30.3                           
   73   73   A        -     0   0   58     -2,-0.2     2,-1.2    -3,-0.0    -4,-0.3   0.052  55.3-109.9-113.0  23.8   13.9    1.6   28.8                           
   74   74   S  S  > S+     0   0   17     -6,-0.4     4,-2.5     1,-0.1     5,-0.1  -0.375 116.9  65.7  78.8 -49.0   17.2   -0.3   28.4                           
   75   75   S  H  > S+     0   0   99     -2,-1.2     4,-2.4     2,-0.2    -1,-0.1   0.904 101.3  48.5 -62.5 -40.9   17.0    0.1   24.6                           
   76   76   V  H  > S+     0   0   19      2,-0.2     4,-3.8     1,-0.2    -1,-0.2   0.902 110.9  49.3 -62.7 -41.2   17.3    3.7   25.0                           
   77   77   C  H  > S+     0   0    1      2,-0.2     4,-3.1     1,-0.2    -2,-0.2   0.906 109.8  52.7 -63.5 -38.4   20.3    3.3   27.3                           
   78   78   G  H  X S+     0   0   28     -4,-2.5     4,-1.9     1,-0.2    -1,-0.2   0.955 117.0  38.4 -61.6 -45.0   21.9    1.0   24.8                           
   79   79   A  H  X S+     0   0   38     -4,-2.4     4,-2.8     2,-0.2    -2,-0.2   0.895 112.5  56.5 -65.8 -42.6   21.4    3.6   22.2                           
   80   80   L  H  X S+     0   0   33     -4,-3.8     4,-2.3     1,-0.2    -2,-0.2   0.897 108.3  49.0 -59.5 -41.4   22.3    6.4   24.5                           
   81   81   T  H  X S+     0   0    9     -4,-3.1     4,-2.1     2,-0.2    -1,-0.2   0.923 112.1  47.6 -60.8 -45.9   25.7    4.7   25.2                           
   82   82   N  H  X S+     0   0  103     -4,-1.9     4,-2.2     1,-0.2    -2,-0.2   0.876 113.0  52.8 -61.8 -37.1   26.3    4.2   21.4                           
   83   83   L  H  X>S+     0   0   18     -4,-2.8     4,-1.9     1,-0.2     5,-0.6   0.886 104.6  49.8 -64.3 -44.0   25.4    7.8   21.0                           
   84   84   Q  H  <5S+     0   0   34     -4,-2.3    -1,-0.2     1,-0.2    -2,-0.2   0.887 113.6  50.1 -58.0 -44.7   27.7    9.1   23.5                           
   85   85   N  H  <5S+     0   0   89     -4,-2.1    -2,-0.2     1,-0.2    -1,-0.2   0.875 108.5  47.8 -64.4 -42.8   30.4    7.2   21.8                           
   86   86   S  H  <5S-     0   0   82     -4,-2.2    -1,-0.2    -5,-0.1    -2,-0.2   0.780  88.8-155.9 -62.1 -38.4   29.8    8.3   18.2                           
   87   87   D  T  <5 +     0   0   72     -4,-1.9    -3,-0.1    -5,-0.1    -2,-0.1   0.747  40.6 148.4  59.9  35.9   29.6   11.9   19.6                           
   88   88   A      < -     0   0   39     -5,-0.6     2,-1.3     1,-0.2    -1,-0.1   0.714  45.8-148.9 -63.5 -25.2   27.6   12.6   16.5                           
   89   89   R  S  > S+     0   0  107     -6,-0.3     4,-2.8     1,-0.1    -1,-0.2  -0.312  90.6  69.4  74.0 -44.9   25.7   15.3   18.6                           
   90   90   E  H  > S+     0   0  104     -2,-1.3     4,-1.8     2,-0.2    -1,-0.1   0.934  97.4  39.4 -77.7 -46.0   22.9   14.2   16.2                           
   91   91   I  H  > S+     0   0   65      2,-0.2     4,-2.7     1,-0.2    -1,-0.2   0.873 117.9  53.9 -60.1 -33.4   22.1   10.8   17.4                           
   92   92   V  H  > S+     0   0   11     -9,-0.3     4,-3.3     2,-0.2     5,-0.3   0.879 104.2  52.8 -66.7 -38.0   22.6   12.1   21.0                           
   93   93   N  H  X S+     0   0   34     -4,-2.8     4,-2.1     2,-0.2    -1,-0.2   0.944 113.4  45.7 -59.3 -43.9   20.1   14.9   20.4                           
   94   94   G  H  X S+     0   0   29     -4,-1.8     4,-2.1     2,-0.2    -2,-0.2   0.934 116.5  45.4 -64.6 -45.8   17.6   12.1   19.2                           
   95   95   A  H  X S+     0   0    3     -4,-2.7     4,-3.4     2,-0.2    -2,-0.2   0.887 110.7  50.6 -64.7 -41.5   18.5    9.9   22.2                           
   96   96   V  H  X S+     0   0   24     -4,-3.3     4,-4.1     2,-0.2     5,-0.3   0.901 109.6  52.1 -64.9 -38.3   18.3   12.6   24.7                           
   97   97   R  H  X S+     0   0  174     -4,-2.1     4,-3.1    -5,-0.3    -2,-0.2   0.948 113.2  45.1 -62.5 -43.8   14.9   13.6   23.3                           
   98   98   Q  H  X S+     0   0  114     -4,-2.1     4,-3.0     2,-0.2     5,-0.3   0.933 118.4  42.8 -62.4 -45.0   13.8    9.9   23.7                           
   99   99   C  H  X S+     0   0    4     -4,-3.4     4,-3.7     2,-0.2     5,-0.3   0.938 114.7  48.8 -65.6 -45.9   15.3    9.7   27.2                           
  100  100   T  H  X S+     0   0   29     -4,-4.1     4,-3.2     1,-0.2    -2,-0.2   0.934 117.5  43.5 -63.7 -46.5   14.1   13.0   28.3                           
  101  101   N  H  X S+     0   0   98     -4,-3.1     4,-2.4    -5,-0.3    -2,-0.2   0.936 117.7  40.7 -63.4 -46.8   10.7   12.1   27.0                           
  102  102   A  H  X S+     0   0   42     -4,-3.0     4,-2.1     2,-0.2    -2,-0.2   0.906 121.4  45.5 -67.9 -41.8   10.4    8.5   28.3                           
  103  103   C  H  X S+     0   0    1     -4,-3.7     4,-2.7    -5,-0.3    -1,-0.2   0.873 109.0  55.5 -70.6 -35.7   12.1    9.7   31.5                           
  104  104   F  H  X S+     0   0  107     -4,-3.2     4,-1.9    -5,-0.3    -2,-0.2   0.926 111.4  44.9 -61.5 -41.0    9.8   12.8   31.7                           
  105  105   D  H  X S+     0   0   98     -4,-2.4     4,-1.8     2,-0.2    -2,-0.2   0.919 111.9  50.4 -63.2 -43.7    6.8   10.3   31.5                           
  106  106   F  H  X S+     0   0   50     -4,-2.1     4,-0.7     1,-0.2     6,-0.4   0.792 107.2  57.2 -63.9 -36.1    8.4    8.0   34.1                           
  107  107   C  H >< S+     0   0   35     -4,-2.7     3,-1.5     2,-0.2    -2,-0.2   0.934 103.3  51.9 -56.2 -46.0    8.7   11.3   36.0                           
  108  108   T  H 3< S+     0   0  100     -4,-1.9    -2,-0.2     1,-0.3    -1,-0.2   0.895 114.6  42.0 -58.2 -42.1    4.9   11.6   35.7                           
  109  109   N  H 3< S+     0   0  118     -4,-1.8    -1,-0.3     3,-0.1    -2,-0.2   0.735  97.5 173.2 -57.3 -26.7    4.6    8.1   37.1                           
  110  110   G    <<  +     0   0   45     -3,-1.5    -3,-0.1    -4,-0.7    -4,-0.0   0.397  53.2 140.0 -55.3 122.8    7.2    8.8   39.6                           
  111  111   S  S    S-     0   0  106     -5,-0.2     2,-0.2     2,-0.0    -1,-0.1   0.368  88.2-143.9 -62.7 -39.3    8.2    6.7   42.3                           
  112  112   A        +     0   0   20     -6,-0.4     2,-0.4   -42,-0.1    -2,-0.3  -0.665  68.2 132.4 165.8 -55.6   10.7    8.6   40.4                           
  113  113   K        +     0   0   62     -2,-0.2     2,-0.3     1,-0.1   -92,-0.1  -0.234  30.3 154.8 -92.4 107.0   14.0    8.4   39.0                           
  114  114   A        -     0   0    0     -2,-0.4     2,-0.7   -94,-0.2   -90,-0.5  -0.850  43.2-121.8-128.6 131.2   14.1    9.5   35.4                           
  115  115   V        +     0   0   11    -44,-0.8     2,-0.3    -2,-0.3   -12,-0.3  -0.694  53.9 139.5 -87.1 116.2   17.1   10.9   33.5                           
  116  116   E        -     0   0    1     -2,-0.7   -92,-0.1   -96,-0.5   -93,-0.1  -0.863  67.9-114.8-137.3 169.4   16.1   14.3   32.2                           
  117  117   T              0   0   62      1,-0.4    -1,-0.1    -2,-0.3   -91,-0.1   0.856 360.0 360.0 -62.1 -41.8   17.5   17.7   31.8                           
  118  118   A              0   0   50    -94,-0.1    -1,-0.4    -3,-0.1   -94,-0.3  -0.909 360.0 360.0 176.1 360.0   14.8   18.7   34.3