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                                                                                                                         .
  148  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  8019.1   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
  113 76.4   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                              .
    5  3.4   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    7  4.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   98 66.2   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    3  2.0   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  1  0  0  0  0  0  0  0  1  1  1  1  0  1  1  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  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   A     >        0   0  100      0, 0.0     4,-2.8     0, 0.0     5,-0.2   0.000 360.0 360.0 360.0 -40.9    7.4   72.8    4.5                           
    2    2   L  H  >  +     0   0   19      1,-0.2     4,-2.6     2,-0.2     5,-0.1   0.904 360.0  49.4 -62.6 -40.1    9.4   74.7    1.7                           
    3    3   R  H  > S+     0   0  111      2,-0.2     4,-2.4     1,-0.2    -1,-0.2   0.900 109.2  48.4 -61.3 -44.5    6.2   76.2    0.6                           
    4    4   C  H  > S+     0   0   86      1,-0.2     4,-2.1     2,-0.2    -2,-0.2   0.913 114.0  49.5 -62.8 -39.4    5.1   77.4    4.0                           
    5    5   M  H  X S+     0   0   90     -4,-2.8     4,-3.1     2,-0.2    -2,-0.2   0.885 108.9  51.7 -64.7 -40.1    8.6   78.9    4.5                           
    6    6   M  H  X S+     0   0    1     -4,-2.6     4,-2.9     1,-0.2    -1,-0.2   0.902 108.3  53.2 -60.3 -41.1    8.4   80.7    1.0                           
    7    7   R  H  X S+     0   0   81     -4,-2.4     4,-2.4     2,-0.2    -1,-0.2   0.931 113.2  42.0 -62.1 -44.8    5.1   82.1    2.1                           
    8    8   Q  H  X S+     0   0   82     -4,-2.1     4,-3.3     2,-0.2     5,-0.3   0.896 112.8  52.0 -67.8 -39.9    6.6   83.5    5.3                           
    9    9   M  H  X S+     0   0   26     -4,-3.1     4,-2.8     1,-0.2     5,-0.5   0.934 111.7  49.2 -62.0 -42.9    9.7   84.7    3.6                           
   10   10   Q  H  X S+     0   0   14     -4,-2.9     4,-1.9    -5,-0.2    -2,-0.2   0.950 115.8  42.9 -62.4 -44.9    7.4   86.5    1.1                           
   11   11   Q  H  X S+     0   0   90     -4,-2.4     4,-2.7     2,-0.2    -2,-0.2   0.950 119.9  40.7 -60.3 -49.7    5.4   88.0    3.9                           
   12   12   E  H  X S+     0   0   84     -4,-3.3     4,-2.1     1,-0.3    -2,-0.2   0.875 116.5  46.0 -73.8 -45.4    8.4   89.0    6.1                           
   13   13   Y  H  <>S+     0   0   50     -4,-2.8     5,-0.5    -5,-0.3     4,-0.4   0.908 113.9  49.2 -66.7 -39.1   10.6   90.2    3.6                           
   14   14   G  H ><5S+     0   0   15     -4,-1.9     3,-1.6    -5,-0.5    -2,-0.2   0.953 113.3  50.7 -64.6 -41.4    7.7   92.3    1.9                           
   15   15   M  H 3<5S+     0   0  123     -4,-2.7    -1,-0.2     1,-0.3    -2,-0.2   0.850  89.5  72.1 -65.0 -33.2    6.9   93.7    5.4                           
   16   16   E  T 3<5S-     0   0  104     -4,-2.1    -1,-0.3     1,-0.1    -2,-0.2   0.599 102.0-145.0 -62.1  -9.2   10.4   94.7    6.2                           
   17   17   Q  T < 5 +     0   0  145     -3,-1.6     2,-0.4    -4,-0.4    -1,-0.1   0.513  52.7 113.8  66.9  29.1    9.2   97.2    3.6                           
   18   18   E     >< -     0   0  106     -5,-0.5     4,-1.0     1,-0.1     3,-0.4  -0.989  65.0-131.3-129.2 155.5   12.3   97.9    1.6                           
   19   19   M  H  > S+     0   0   79     -2,-0.4     4,-1.0     1,-0.3     3,-0.2   0.786 109.3  48.7 -62.4 -42.3   13.1   97.1   -2.0                           
   20   20   Q  H  > S+     0   0  134      2,-0.2     4,-2.0     1,-0.2    -1,-0.3   0.786 102.3  64.8 -64.9 -29.8   16.5   95.5   -1.3                           
   21   21   Q  H  > S+     0   0   42     -3,-0.4     4,-1.4     1,-0.2    -2,-0.2   0.870 101.8  52.5 -62.1 -36.1   14.7   93.5    1.4                           
   22   22   M  H  X S+     0   0    1     -4,-1.0     4,-3.2    -3,-0.2    -1,-0.2   0.826 102.0  55.1 -62.0 -41.0   12.9   92.0   -1.7                           
   23   23   Q  H  X S+     0   0   85     -4,-1.0     4,-2.9     2,-0.2    -1,-0.2   0.911 105.9  55.0 -60.2 -42.0   16.0   91.2   -3.6                           
   24   24   Q  H  X S+     0   0   94     -4,-2.0     4,-2.5     2,-0.2    -2,-0.2   0.918 111.1  42.7 -60.2 -46.5   17.0   89.2   -0.5                           
   25   25   M  H  X S+     0   0    0     -4,-1.4     4,-2.2     2,-0.2    -1,-0.2   0.902 111.7  53.9 -62.0 -42.1   13.7   87.2   -0.7                           
   26   26   M  H  < S+     0   0    0     -4,-3.2    -2,-0.2     1,-0.2    -1,-0.2   0.903 114.2  43.5 -62.0 -40.5   14.1   86.8   -4.4                           
   27   27   Q  H  X S+     0   0   52     -4,-2.9     4,-1.9     2,-0.2    -2,-0.2   0.807 110.0  53.8 -65.8 -40.1   17.6   85.4   -3.6                           
   28   28   Y  H  X S+     0   0   53     -4,-2.5     4,-3.0     2,-0.2    -2,-0.2   0.946 111.9  48.8 -53.1 -51.1   16.5   83.2   -0.6                           
   29   29   L  H  X S+     0   0    1     -4,-2.2     4,-2.4     1,-0.2    -2,-0.2   0.841 107.4  48.0 -70.5 -46.5   14.0   81.7   -2.9                           
   30   30   P  H  > S+     0   0   22      0, 0.0     4,-2.3     0, 0.0    -1,-0.2   0.853 115.1  49.3 -67.0 -32.6   16.0   80.9   -5.9                           
   31   31   R  H  X S+     0   0  150     -4,-1.9     4,-2.6     2,-0.2    -2,-0.2   0.930 109.4  50.2 -65.8 -38.0   18.6   79.3   -3.6                           
   32   32   M  H  X S+     0   0   31     -4,-3.0     4,-1.8     1,-0.2    -1,-0.2   0.948 115.0  45.0 -58.0 -44.9   16.1   77.3   -1.8                           
   33   33   C  H  < S+     0   0    8     -4,-2.4    -1,-0.2     1,-0.2    -2,-0.2   0.890 114.8  46.3 -67.2 -41.7   14.7   76.1   -5.0                           
   34   34   G  H  < S+     0   0   37     -4,-2.3    -1,-0.2     1,-0.2    -2,-0.2   0.862 110.5  55.8 -63.5 -39.2   18.1   75.4   -6.5                           
   35   35   M  H  < S+     0   0  130     -4,-2.6     2,-0.3    -5,-0.1    -2,-0.2   0.807 115.2  23.8 -58.1 -46.8   19.3   73.5   -3.3                           
   36   36   S     <  -     0   0   30     -4,-1.8    -1,-0.1    -5,-0.2     0, 0.0  -0.964  57.3-158.1-138.4 150.0   16.6   71.0   -3.1                           
   37   37   Y        +     0   0  123     -2,-0.3    -4,-0.1     1,-0.1    -3,-0.0  -0.854  23.2 156.6-128.7  95.0   14.1   69.2   -5.2                           
   38   38   P        -     0   0   76      0, 0.0    -1,-0.1     0, 0.0    41,-0.1   0.761  51.5-128.4 -71.8 -22.4   11.0   67.6   -3.9                           
   39   39   T  S    S+     0   0   27     39,-0.2    46,-0.2    42,-0.0    44,-0.1   0.763 119.4  59.7  52.6  23.0    9.0   67.7   -7.4                           
   40   40   E  S  > S+     0   0  103     45,-0.0     4,-0.9    46,-0.0    39,-0.0  -0.002  95.5  65.4-108.7 -15.1    6.5   69.3   -5.2                           
   41   41   C  T >4 S+     0   0    0      1,-0.2     3,-0.5     2,-0.2     5,-0.2   0.927  94.5  58.8 -59.0 -45.5    9.4   71.8   -4.7                           
   42   42   R  T 3> S+     0   0    0      1,-0.3     4,-2.1     2,-0.2    -1,-0.2   0.848 108.2  34.1 -79.4 -46.0    9.3   72.9   -8.2                           
   43   43   M  T 34 S+     0   0   20      2,-0.2     4,-0.3     1,-0.2    -1,-0.3   0.440 117.7  56.9 -92.8  -0.2    5.9   74.4   -8.9                           
   44   44   R  T  S+     0   0    3      0, 0.0     4,-3.1     0, 0.0    -2,-0.2   0.908 117.7  44.4 -65.9 -40.7    9.0   77.6   -5.8                           
   46   46   I  H  X S+     0   0    6     -4,-2.1     4,-2.6    -5,-0.2    -3,-0.2   0.904 112.3  49.4 -66.9 -40.8    8.1   79.0   -9.1                           
   47   47   F  H  > S+     0   0   86     -4,-0.3     4,-3.3     1,-0.2     5,-0.2   0.896 114.4  49.4 -60.6 -40.5    4.6   79.8   -8.3                           
   48   48   A  H  X S+     0   0    9     -4,-3.2     4,-2.3     2,-0.2    -2,-0.2   0.896 109.3  50.0 -63.0 -43.8    6.1   81.5   -5.1                           
   49   49   M  H  X S+     0   0   17     -4,-3.1     4,-1.8     1,-0.2    -2,-0.2   0.932 116.8  42.5 -60.5 -46.0    8.6   83.4   -7.0                           
   50   50   A  H  X S+     0   0    1     -4,-2.6     4,-2.9     2,-0.2    -2,-0.2   0.894 111.4  49.4 -64.6 -45.9    6.0   84.6   -9.4                           
   51   51   R  H  X S+     0   0  101     -4,-3.3     4,-2.7     1,-0.2    -1,-0.2   0.939 113.3  54.7 -58.3 -42.0    3.2   85.5   -6.9                           
   52   52   F  H  X S+     0   0    2     -4,-2.3     4,-2.4     1,-0.3    -2,-0.2   0.793 112.0  39.2 -58.5 -45.2    6.0   87.4   -5.1                           
   53   53   T  H  X S+     0   0    1     -4,-1.8     4,-0.7     2,-0.2    -1,-0.3   0.731 111.3  56.4 -70.6 -39.3    7.0   89.4   -7.9                           
   54   54   I  H  < S+     0   0   67     -4,-2.9    -2,-0.2    -5,-0.2    -3,-0.2   0.972 120.4  34.2 -55.1 -48.6    3.6   90.0   -9.2                           
   55   55   V  H  < S+     0   0   97     -4,-2.7    -2,-0.2     1,-0.2    -3,-0.2   0.838 104.9  57.0 -82.9 -45.4    2.8   91.4   -5.7                           
   56   56   L  H  < S-     0   0   51     -4,-2.4     2,-0.3    -5,-0.2    -1,-0.2   0.834 123.8 -16.3 -67.1 -27.3    5.7   93.3   -4.0                           
   57   57   A     <  -     0   0   11     -4,-0.7     0, 0.0    -5,-0.2     0, 0.0  -0.797  48.0-145.2-139.0-175.2    5.9   95.6   -6.8                           
   58   58   V  S  > S+     0   0   93     -2,-0.3     4,-2.8    43,-0.0     5,-0.2   0.237  99.4  16.7-112.4 -59.6    5.0   96.1  -10.2                           
   59   59   L  H  > S+     0   0  121      1,-0.2     4,-2.5     2,-0.2     5,-0.1   0.961 133.6  46.2 -70.4 -41.0    7.7   97.9  -12.0                           
   60   60   F  H  > S+     0   0   71      1,-0.2     4,-2.6     2,-0.2    -1,-0.2   0.911 114.5  46.1 -63.6 -41.9   10.2   97.2   -9.3                           
   61   61   A  H  > S+     0   0    0      2,-0.2     4,-3.8     1,-0.2     5,-0.4   0.884 108.9  57.3 -65.0 -37.8    9.2   93.5   -9.1                           
   62   62   A  H  X S+     0   0    1     -4,-2.8     4,-2.6     1,-0.2     5,-0.2   0.967 110.4  44.2 -58.5 -47.8    9.4   93.3  -12.8                           
   63   63   A  H  X S+     0   0   29     -4,-2.5     4,-3.2    -5,-0.2    -2,-0.2   0.921 118.8  41.7 -59.4 -47.0   13.0   94.6  -12.6                           
   64   64   L  H  X S+     0   0   13     -4,-2.6     4,-3.7     2,-0.2     5,-0.4   0.927 113.4  51.8 -65.5 -46.4   14.0   92.3   -9.9                           
   65   65   V  H  X S+     0   0    6     -4,-3.8     4,-3.8     1,-0.2    -2,-0.2   0.916 116.5  41.8 -61.3 -43.5   12.2   89.4  -11.2                           
   66   66   S  H  X S+     0   0    5     -4,-2.6     4,-2.6    -5,-0.4    -1,-0.2   0.901 115.2  46.8 -72.0 -40.5   13.9   89.9  -14.5                           
   67   67   A  H  X S+     0   0   54     -4,-3.2     4,-2.8    -5,-0.2    -2,-0.2   0.959 122.0  39.0 -64.9 -41.6   17.3   90.6  -13.2                           
   68   68   S  H  X S+     0   0    6     -4,-3.7     4,-2.9     2,-0.2    -2,-0.2   0.917 115.2  52.8 -71.9 -42.5   17.0   87.6  -10.7                           
   69   69   A  H  < S+     0   0   10     -4,-3.8    -1,-0.2    -5,-0.4    -3,-0.2   0.948 116.1  40.0 -62.9 -43.8   15.3   85.5  -13.3                           
   70   70   H  H  < S+     0   0   29     -4,-2.6    -2,-0.2    -5,-0.2    -1,-0.2   0.881 126.4  32.1 -66.0 -44.3   18.1   86.2  -15.8                           
   71   71   K  H  < S+     0   0  166     -4,-2.8     2,-0.4    -5,-0.2    -3,-0.2   0.258 102.5  68.8-121.9  14.3   21.1   86.0  -13.4                           
   72   72   T  S  < S-     0   0   33     -4,-2.9    -1,-0.1    -5,-0.1   -41,-0.0  -0.976 113.3-118.8-106.1 122.7   20.0   83.5  -10.9                           
   73   73   V        +     0   0  114     -2,-0.4     2,-0.2     2,-0.1    47,-0.1   0.513  67.2  10.5 -60.0 -42.8   20.4   81.5  -13.9                           
   74   74   V        -     0   0   53     -3,-0.1     2,-0.5   -44,-0.1    -2,-0.1  -0.659  40.9-136.4-121.9 150.5   17.1   80.2  -14.3                           
   75   75   T        -     0   0   29     -2,-0.2     2,-0.5    41,-0.1    -2,-0.1  -0.961  61.3-165.6 -98.5 115.4   13.5   79.6  -14.0                           
   76   76   T        -     0   0   32     -2,-0.5     2,-0.7     2,-0.1   -30,-0.1  -0.827  30.5-161.9-106.3 125.2   14.2   76.0  -14.1                           
   77   77   S        +     0   0    9     -2,-0.5     2,-0.2   -31,-0.0    -2,-0.0  -0.962  31.7 145.4 -94.0 121.4   12.0   73.1  -14.5                           
   78   78   V        +     0   0   54     -2,-0.7   -39,-0.2    47,-0.0   -36,-0.1  -0.801  16.4 123.4-136.8 117.7   13.7   70.0  -13.3                           
   79   79   A    >   +     0   0    1     -2,-0.2     2,-3.1   -40,-0.1     3,-2.5  -0.299  31.5 177.3-145.5  59.3   11.5   67.4  -11.7                           
   80   80   E  T 3   +     0   0  142      1,-0.3     4,-0.0     2,-0.1   -41,-0.0  -0.141  61.6  95.2 -90.2  60.4   12.3   64.5  -13.9                           
   81   81   E  T 3  S-     0   0  155     -2,-3.1    -1,-0.3     2,-0.1     3,-0.1   0.649  99.2-136.8 -62.7 -39.4   10.2   62.0  -12.1                           
   82   82   G  S <  S+     0   0   44     -3,-2.5     2,-0.6     1,-0.1    -2,-0.1   0.470  79.2 107.2  87.5  18.0    8.5   63.5  -15.1                           
   83   83   E        -     0   0  166     -4,-0.3     2,-1.4   -44,-0.1    -1,-0.1  -0.895  52.4-179.1 -92.9  90.5    5.1   64.3  -14.2                           
   84   84   E    >   +     0   0    7     -2,-0.6     3,-3.4     1,-0.2     4,-0.3  -0.784  20.3 177.0 -89.6  82.7    6.1   67.9  -14.2                           
   85   85   E  T 3  S+     0   0  133     -2,-1.4     4,-0.3     1,-0.3    -1,-0.2   0.273  81.0  77.3 -74.2  11.7    3.0   69.5  -13.3                           
   86   86   N  T 3> S+     0   0    1      3,-0.1     4,-7.6     2,-0.1     5,-0.4   0.859  72.8  89.0 -52.4 -47.7    5.5   72.1  -13.5                           
   87   87   Q  H <> S+     0   0   45     -3,-3.4     4,-2.8     1,-0.3     5,-0.2   0.682 102.8  10.2 -55.0 -58.8    5.2   71.9  -17.4                           
   88   88   R  H  > S+     0   0   89     -4,-0.3     4,-3.9     2,-0.2    -1,-0.3   0.944 131.2  52.0 -94.6 -37.3    2.4   74.3  -18.3                           
   89   89   G  H  > S+     0   0   23     -4,-0.3     4,-2.4     2,-0.2    -2,-0.2   0.942 115.9  44.0 -54.2 -46.9    2.0   75.9  -15.0                           
   90   90   C  H  X S+     0   0    2     -4,-7.6     4,-1.9     2,-0.2    -2,-0.2   0.934 116.9  43.9 -62.3 -45.4    5.8   76.6  -15.1                           
   91   91   E  H  X S+     0   0    4     -4,-2.8     4,-2.2    -5,-0.4    -2,-0.2   0.887 116.2  50.6 -65.7 -34.3    5.8   77.7  -18.7                           
   92   92   W  H  X S+     0   0  109     -4,-3.9     4,-3.1     2,-0.3     5,-0.2   0.792 104.1  54.3 -77.8 -29.4    2.6   79.8  -18.0                           
   93   93   E  H  X S+     0   0   27     -4,-2.4     4,-3.0    -5,-0.3     5,-0.3   0.922 110.7  50.0 -60.2 -42.4    4.1   81.5  -14.9                           
   94   94   S  H  X S+     0   0   12     -4,-1.9     4,-3.5     1,-0.2    -2,-0.3   0.933 114.3  45.6 -62.1 -45.7    6.9   82.4  -17.5                           
   95   95   R  H  X S+     0   0   76     -4,-2.2     4,-3.0     2,-0.2    -2,-0.2   0.915 110.3  48.2 -64.7 -42.9    4.3   83.6  -19.7                           
   96   96   Q  H  X S+     0   0   92     -4,-3.1     4,-1.8     2,-0.2     5,-0.2   0.948 121.3  40.7 -63.4 -44.2    2.2   85.6  -17.2                           
   97   97   C  H  X>S+     0   0   10     -4,-3.0     4,-4.6    -5,-0.2     5,-0.5   0.914 112.6  54.7 -70.0 -38.3    5.5   87.2  -16.0                           
   98   98   Q  I  X>S+     0   0    0     -4,-3.5     4,-2.5    -5,-0.3     5,-0.7   0.909 106.0  51.0 -58.2 -45.0    6.8   87.5  -19.4                           
   99   99   M  I  X5S+     0   0   58     -4,-3.0     4,-1.0    -5,-0.2    -1,-0.2   0.955 125.5  27.3 -58.2 -48.3    3.6   89.4  -20.5                           
  100  100   R  I  X5S+     0   0   60     -4,-1.8     4,-2.5    -5,-0.2    -2,-0.2   0.959 128.2  42.3 -68.6 -54.3    4.0   91.9  -17.6                           
  101  101   H  I  X5S+     0   0    7     -4,-4.6     4,-2.9     1,-0.2     5,-0.4   0.833 115.6  46.1 -82.5 -41.9    7.7   91.8  -17.0                           
  102  102   C  I  X> S+     0   0  119     -2,-0.2     3,-0.8    -3,-0.1     4,-0.5   0.280 126.5  54.6-104.6 -21.1   11.2   95.6  -25.0                           
  108  108   S  H >> S+     0   0   86      2,-0.2     3,-2.2     1,-0.2     4,-0.9   0.861  95.4  64.5 -62.4 -35.3   14.9   95.2  -24.9                           
  109  109   M  H 3> S+     0   0    2      1,-0.3     4,-3.3    -7,-0.3     5,-0.3   0.840  86.8  75.6 -61.5 -20.6   14.2   93.1  -21.6                           
  110  110   R  H <> S+     0   0   66     -3,-0.8     4,-2.1    -8,-0.2    -1,-0.3   0.908  93.6  52.4 -49.3 -43.2   12.6   91.0  -24.4                           
  111  111   G  H   S-     0   0   44     -2,-0.3     3,-2.5     3,-0.1     4,-0.3   0.575  86.1-149.8  71.7  20.2    9.3   67.8  -22.4                           
  127  127   Q  T 3> S+     0   0  130      1,-0.3     4,-2.1    -4,-0.3    -2,-0.2   0.129  75.1  27.5 -62.1 -43.1   11.3   69.1  -25.0                           
  128  128   F  H 3> S+     0   0  159      2,-0.2     4,-2.8     1,-0.2    -1,-0.3   0.892 120.1  54.3 -63.7 -42.8    9.0   69.9  -27.9                           
  129  129   E  H <> S+     0   0   62     -3,-2.5     4,-2.0     2,-0.2    -1,-0.2   0.929 114.2  42.7 -60.1 -42.8    6.0   70.6  -25.7                           
  130  130   H  H  > S+     0   0    1     -5,-0.4     4,-2.0    -4,-0.3    -2,-0.2   0.779 112.5  54.1 -75.9 -28.2    8.1   73.2  -23.7                           
  131  131   F  H  X S+     0   0   98     -4,-2.1     4,-3.9     2,-0.2    -2,-0.2   0.929 107.5  50.3 -62.1 -40.2    9.6   74.5  -26.8                           
  132  132   R  H  X S+     0   0   78     -4,-2.8     4,-3.1     2,-0.2     5,-0.3   0.906 110.3  49.6 -58.1 -45.4    6.0   75.0  -28.1                           
  133  133   E  H  X S+     0   0    7     -4,-2.0     4,-4.0     1,-0.2     5,-0.4   0.967 116.6  43.3 -62.5 -47.9    5.1   76.9  -24.9                           
  134  134   C  H  X S+     0   0    2     -4,-2.0     4,-3.5     1,-0.2    -2,-0.2   0.951 115.8  44.3 -63.3 -47.3    8.1   79.0  -25.3                           
  135  135   C  H  X S+     0   0   56     -4,-3.9     4,-2.5     1,-0.2    -1,-0.2   0.944 120.7  41.1 -65.8 -45.5    7.9   79.6  -28.9                           
  136  136   N  H  X S+     0   0   49     -4,-3.1     4,-3.2    -5,-0.2    -1,-0.2   0.899 118.0  47.8 -65.0 -42.8    4.1   80.4  -28.6                           
  137  137   E  H  X S+     0   0    0     -4,-4.0     4,-2.7    -5,-0.3    -2,-0.2   0.904 113.4  48.9 -66.0 -40.0    4.5   82.3  -25.3                           
  138  138   L  H  X S+     0   0   13     -4,-3.5     4,-2.5    -5,-0.4    -2,-0.2   0.924 113.8  43.4 -63.7 -45.9    7.3   84.3  -26.8                           
  139  139   R  H  X S+     0   0  105     -4,-2.5     4,-2.6     2,-0.2    -2,-0.2   0.881 113.9  52.2 -64.3 -43.9    5.5   85.1  -30.0                           
  140  140   D  H  X S+     0   0   49     -4,-3.2     4,-3.1     2,-0.2    -2,-0.2   0.912 111.7  46.9 -62.5 -40.7    2.3   85.9  -28.0                           
  141  141   V  H  X S+     0   0    1     -4,-2.7     4,-4.1     2,-0.2     5,-0.3   0.902 109.2  53.9 -63.9 -40.1    4.4   88.3  -25.8                           
  142  142   K  H  X S+     0   0   74     -4,-2.5     4,-2.6     1,-0.2    -1,-0.2   0.943 112.8  43.7 -59.9 -44.7    5.9   89.8  -28.7                           
  143  143   S  H  X S+     0   0   64     -4,-2.6     4,-2.3     2,-0.2    -2,-0.2   0.924 116.3  46.4 -62.6 -48.0    2.4   90.5  -30.1                           
  144  144   H  H  X S+     0   0   58     -4,-3.1     4,-2.2     1,-0.2    -2,-0.2   0.923 116.2  44.8 -62.3 -43.7    1.1   91.7  -26.7                           
  145  145   C  H  < S+     0   0    2     -4,-4.1    -2,-0.2     2,-0.2    -1,-0.2   0.779 109.8  53.6 -82.7 -22.4    4.1   93.9  -26.1                           
  146  146   R  H  < S+     0   0  116     -4,-2.6    -1,-0.2    -5,-0.3    -2,-0.2   0.915 112.0  48.8 -65.5 -38.3    4.1   95.3  -29.7                           
  147  147   C  H  <        0   0  110     -4,-2.3    -2,-0.2    -5,-0.2    -1,-0.2   0.875 360.0 360.0 -62.6 -40.8    0.5   96.1  -28.8                           
  148  148   E     <        0   0  120     -4,-2.2   -44,-0.0    -5,-0.1    -3,-0.0   0.025 360.0 360.0 -61.6 360.0    1.6   97.7  -25.5