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                                                                                                                         .
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AUTHOR                                                                                                                         .
  133  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  6318.4   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   74 55.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J)  , SAME NUMBER PER 100 RESIDUES                              .
    4  3.0   TOTAL NUMBER OF HYDROGEN BONDS IN     PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES                              .
    4  3.0   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                              .
    1  0.8   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  5.3   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    7  5.3   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   48 36.1   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    3  2.3   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  2  0  0  1  0  0  0  1  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    RESIDUES PER ALPHA HELIX         .
  2  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      .
  2  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   49      0, 0.0    58,-0.3     0, 0.0     2,-0.3   0.000 360.0 360.0 360.0-123.8  -14.8   11.3   -6.1                           
    2    2   N  B     -a   55   0A  27     52,-1.3    54,-0.7    56,-0.2     3,-0.2  -0.851 360.0 -81.6-171.7 160.5  -13.7    7.8   -6.5                           
    3    3   L  S    S-     0   0    0      1,-0.4     2,-0.3    -2,-0.3    54,-0.1   0.934 102.2 -82.6 -65.6 -38.5  -14.0    4.7   -8.6                           
    4    4   S        -     0   0    9     53,-0.1    -1,-0.4     3,-0.1    90,-0.1  -0.755  34.6 -83.3-176.2-163.4  -16.9    4.7   -6.4                           
    5    5   G  S    S+     0   0   70     -2,-0.3    87,-0.0    -3,-0.2    50,-0.0   0.164 106.2  87.6 -76.5   5.5  -18.0    3.7   -3.0                           
    6    6   C  S    S-     0   0   59     88,-0.0    -1,-0.1     2,-0.0    -2,-0.1   0.951  75.2 -25.5 -88.0 -80.0  -18.4    0.2   -4.6                           
    7    7   K        -     0   0   97      1,-0.1     2,-0.3    87,-0.0    87,-0.1   0.282  49.9 -71.5-122.5-135.8  -15.9   -2.5   -5.0                           
    8    8   I        -     0   0   55     84,-0.2     2,-0.3    85,-0.1    14,-0.2  -0.973  15.4-161.0-139.8 142.1  -12.5   -4.1   -5.4                           
    9    9   V        +     0   0    0     76,-0.5    80,-0.4    -2,-0.3    79,-0.2  -0.605  52.6 148.9 -89.4  58.3   -9.3   -4.8   -7.3                           
   10   10   S        +     0   0   55     -2,-0.3    -1,-0.1    79,-0.1    76,-0.1   0.706  35.7  91.3 -76.3 -16.9   -9.1   -7.4   -4.8                           
   11   11   G  S    S-     0   0   16     -3,-0.1    78,-0.1     2,-0.1    74,-0.1  -0.051  89.6 -93.1 -87.7 173.6   -7.2   -9.9   -7.2                           
   12   12   T  S    S+     0   0   99      1,-0.1     2,-0.3    -2,-0.1    73,-0.1   0.648  96.0  16.8 -73.1 -32.9   -3.8  -10.6   -7.9                           
   13   13   T        -     0   0   64     69,-0.0     6,-0.5    72,-0.0    -2,-0.1  -0.995  55.2-136.7-143.5 142.2   -3.1   -8.4  -10.9                           
   14   14   C        +     0   0   20     -2,-0.3     4,-0.2     4,-0.2    21,-0.0  -0.863  69.3  96.3 -71.6 115.5   -4.4   -5.4  -12.8                           
   15   15   P  S    S-     0   0   56      0, 0.0     2,-0.9     0, 0.0     5,-0.3  -0.624 110.0 -32.7-152.0-130.2   -4.1   -6.4  -16.5                           
   16   16   P  S    S+     0   0  112      0, 0.0     2,-0.3     0, 0.0    -2,-0.1  -0.704 126.0 102.5 -76.8  71.0   -7.0   -7.8  -18.6                           
   17   17   G  S >  S-     0   0   15     -2,-0.9     3,-2.7    -6,-0.0     2,-0.5  -0.832  97.3 -51.1-165.3 173.2   -7.6   -9.1  -15.2                           
   18   18   Y  T 3> S+     0   0   93      1,-0.3     4,-1.4    -2,-0.3     5,-0.3   0.208 124.5  60.7 -61.3 -18.2   -9.8   -8.2  -12.5                           
   19   19   T  H 3> S+     0   0    3     -6,-0.5     4,-0.8    -2,-0.5    -1,-0.3   0.777 104.6  50.3 -70.1 -36.2   -9.1   -4.5  -12.3                           
   20   20   H  H <> S+     0   0   24     -3,-2.7     4,-3.0    -5,-0.3    -1,-0.3   0.940 107.6  63.7 -62.4 -41.6  -10.3   -3.9  -15.8                           
   21   21   D  H  > S+     0   0   59      2,-0.2     4,-1.2     1,-0.2    -2,-0.2   0.867 108.0  24.1 -63.3 -59.6  -13.3   -5.8  -15.0                           
   22   22   I  H  X S+     0   0   18     -4,-1.4     4,-1.9   -14,-0.2    -1,-0.2   0.928 131.8  44.9 -73.7 -30.0  -15.5   -4.2  -12.3                           
   23   23   L  H  X S+     0   0    0     -4,-0.8     4,-2.9    -5,-0.3    -2,-0.2   0.713  99.3  64.7 -84.5 -21.5  -14.0   -0.8  -13.2                           
   24   24   Q  H  < S+     0   0   60     -4,-3.0    -1,-0.2     2,-0.2     7,-0.2   0.884 113.9  41.1 -63.4 -39.5  -14.3   -1.3  -17.0                           
   25   25   N  H  < S+     0   0  113     -4,-1.2    -2,-0.3    -5,-0.2    -1,-0.2   0.936 112.4  49.8 -62.8 -51.4  -18.0   -1.2  -16.0                           
   26   26   Y  H  < S+     0   0   47     -4,-1.9    29,-0.2     4,-0.1    -2,-0.2   0.870 101.8  94.8 -66.7 -39.5  -18.0    1.5  -13.4                           
   27   27   G     <  +     0   0   19     -4,-2.9    29,-0.1     1,-0.2   -24,-0.0  -0.217  43.1 174.1 -58.1 138.9  -16.1    3.9  -15.9                           
   28   28   D  S    S-     0   0   94     17,-0.1    -1,-0.2     0, 0.0     4,-0.2   0.639 121.9 -18.4 -61.4 -50.8  -16.8    6.4  -18.2                           
   29   29   A  S  > S+     0   0    3      2,-0.2     4,-2.8    -3,-0.1     5,-0.4   0.235 117.7  94.1-138.8   8.4  -12.9    6.2  -17.9                           
   30   30   V  H  > S+     0   0    0      3,-0.2     4,-1.8     1,-0.2     5,-0.2   0.818  96.6  57.8 -51.1 -26.1  -12.5    4.4  -14.7                           
   31   31   N  H  > S+     0   0   49     -7,-0.2     4,-2.2     2,-0.2    -2,-0.2   0.951 108.4  33.5 -67.6 -55.0  -12.4    2.1  -17.6                           
   32   32   E  H  4>S+     0   0  109      2,-0.2     5,-1.3     1,-0.2     4,-0.4   0.928 122.5  49.3 -62.4 -48.7   -9.6    3.5  -19.8                           
   33   33   Y  H  <5S+     0   0    5     -4,-2.8    -2,-0.2     3,-0.3    -1,-0.2   0.907 114.9  42.6 -78.2 -31.1   -7.6    4.5  -16.8                           
   34   34   C  H  <5S+     0   0    2     -4,-1.8    -1,-0.2    -5,-0.4    -2,-0.2   0.860 109.8  53.3 -82.9 -27.2   -8.1    1.0  -15.1                           
   35   35   K  T  <5S-     0   0  125     -4,-2.2    -1,-0.3    -5,-0.2    -2,-0.2   0.500 133.5-121.1 -75.5  -6.4   -7.4   -0.8  -18.3                           
   36   36   L  T   5 +     0   0   17     -4,-0.4     2,-0.4     1,-0.2    -3,-0.3   0.899  53.7 158.7  84.8  63.1   -4.7    1.7  -17.5                           
   37   37   G      < -     0   0   27     -5,-1.3    -1,-0.2     1,-0.2    -2,-0.1  -0.998  39.3 -42.9-111.4 128.5   -4.0    4.4  -19.9                           
   38   38   C     >  -     0   0   42     -2,-0.4     4,-1.9     3,-0.2    -1,-0.2   0.875  47.9 -99.3  90.7 141.8   -2.4    7.6  -19.6                           
   39   39   A  H  > S+     0   0   45      2,-0.2     4,-2.6    93,-0.2     5,-0.1   0.874 124.0  51.2 -63.5 -36.7   -2.2   10.7  -17.4                           
   40   40   S  H  > S+     0   0   86      2,-0.2     4,-3.0     1,-0.2    -1,-0.2   0.876 106.8  56.3 -64.1 -33.2   -4.6   12.5  -19.7                           
   41   41   S  H  > S+     0   0   11      2,-0.2     4,-2.8     1,-0.2    -8,-0.2   0.915 108.8  43.7 -62.4 -45.7   -6.9    9.5  -19.4                           
   42   42   V  H  X S+     0   0    3     -4,-1.9     4,-3.2     1,-0.2    16,-0.3   0.918 115.2  52.0 -60.1 -42.2   -6.9    9.9  -15.6                           
   43   43   C  H  X S+     0   0   64     -4,-2.6     4,-2.2     2,-0.2    -2,-0.2   0.892 111.2  45.8 -63.4 -40.0   -7.4   13.6  -16.2                           
   44   44   G  H  X S+     0   0   35     -4,-3.0     4,-2.5     2,-0.2    -1,-0.2   0.915 111.6  49.8 -64.9 -44.7  -10.4   13.0  -18.6                           
   45   45   A  H  X S+     0   0    1     -4,-2.8     4,-3.8     1,-0.2     5,-0.3   0.933 111.3  51.4 -64.2 -41.0  -11.9   10.6  -16.4                           
   46   46   L  H  X S+     0   0   31     -4,-3.2     4,-3.3     2,-0.2     5,-0.3   0.843 108.4  51.6 -69.3 -24.4  -11.4   13.3  -13.5                           
   47   47   T  H  X S+     0   0   93     -4,-2.2     4,-2.2     2,-0.2    -1,-0.2   0.967 113.0  45.8 -64.7 -43.6  -13.0   15.9  -15.7                           
   48   48   T  H  X S+     0   0   32     -4,-2.5     4,-1.7     1,-0.2    -2,-0.2   0.933 122.7  35.5 -60.7 -47.9  -15.9   13.5  -16.1                           
   49   49   L  H  < S+     0   0    0     -4,-3.8    -1,-0.2     2,-0.2    -2,-0.2   0.839 112.5  56.1 -85.7 -27.8  -16.0   12.7  -12.5                           
   50   50   K  H  < S+     0   0  150     -4,-3.3    -1,-0.2    -5,-0.3    -2,-0.2   0.919 107.0  54.5 -62.8 -36.1  -15.1   16.2  -11.0                           
   51   51   M  H  < S+     0   0  133     -4,-2.2     2,-0.4    -5,-0.3    -1,-0.2   0.925 120.8  34.5 -61.3 -45.2  -18.0   17.2  -13.0                           
   52   52   E  S  < S-     0   0   79     -4,-1.7     2,-1.0    -5,-0.1     4,-0.2  -0.909  79.8-121.2-111.2 142.4  -19.9   14.6  -11.1                           
   53   53   G  S    S+     0   0  100     -2,-0.4     2,-0.2   -52,-0.1    -3,-0.1  -0.808  81.2 157.3 -58.7 109.3  -19.9   13.0   -7.7                           
   54   54   K        -     0   0   71     -2,-1.0   -52,-1.3     2,-0.2     2,-0.9  -0.867  62.7 -97.2-168.4 163.7  -19.2   10.0   -9.9                           
   55   55   T  B    S+a    2   0A  41     -2,-0.2     2,-0.3   -29,-0.2   -52,-0.2  -0.223  86.7  82.5 -97.3  36.8  -17.9    6.5  -10.6                           
   56   56   V  S    S-     0   0    0     -2,-0.9    -2,-0.2   -54,-0.7   -52,-0.1  -0.915  88.3 -58.0-158.3 125.6  -14.6    7.4  -12.0                           
   57   57   I  S    S-     0   0    0     -2,-0.3     2,-0.2   -54,-0.1   -53,-0.1   0.364  77.5 -62.0  44.1-122.1  -11.0    8.3  -10.9                           
   58   58   L        -     0   0    0    -16,-0.3   -56,-0.2   -56,-0.1    -9,-0.1  -0.660  21.5-123.3-162.4 167.0  -10.5   11.4   -8.6                           
   59   59   G  S    S-     0   0   27    -58,-0.3   -57,-0.1    -2,-0.2    -2,-0.0   0.222  75.4 -84.2-135.6  27.8  -11.0   15.1   -8.4                           
   60   60   V  S    S+     0   0   76      1,-0.2     4,-0.3   -59,-0.2     5,-0.2  -0.512  81.4 124.0 153.5 -35.4   -7.3   15.6   -7.7                           
   61   61   I  S  > S-     0   0  126      2,-0.2     4,-0.8     1,-0.2     5,-0.3  -0.235  77.7-101.0 -84.3 129.9   -5.9   15.3   -4.3                           
   62   62   I  T  4 S+     0   0   60      1,-0.3    -1,-0.2     2,-0.2    13,-0.1  -0.197 117.8  51.9 -61.4 129.3   -3.2   12.8   -4.4                           
   63   63   M  T  4 S+     0   0   72     -3,-0.1    -1,-0.3    11,-0.1    -2,-0.2   0.618 115.6  38.3  64.7  42.4   -5.3   10.0   -2.9                           
   64   64   S  T >4 S+     0   0   17     -4,-0.3     3,-0.9   -62,-0.0    -2,-0.2  -0.302 126.6  39.1-122.6 -25.9   -8.0   10.2   -5.1                           
   65   65   L  G >X S+     0   0   36     -4,-0.8     3,-1.4     1,-0.3     4,-1.4   0.881 111.4  54.7 -64.9 -40.5   -5.6   10.9   -7.9                           
   66   66   V  G 34 S+     0   0    2     -5,-0.3    -1,-0.3     1,-0.2     5,-0.1   0.415 105.3  60.4 -82.1  10.0   -3.2    8.4   -6.6                           
   67   67   M  G <4 S+     0   0    0     -3,-0.9    -1,-0.2     2,-0.1    -2,-0.2   0.352  97.3  52.9-113.0  12.3   -6.4    6.2   -6.9                           
   68   68   A  T <4 S+     0   0    0     -3,-1.4    -2,-0.2    -4,-0.1    -3,-0.1   0.496 106.1 139.1 -64.4 -36.5   -6.6    6.8  -10.5                           
   69   69   Q     <  +     0   0    1     -4,-1.4     3,-0.1    -5,-0.2   -33,-0.1   0.625  35.4 109.4 -23.1-169.1   -2.9    5.5  -10.1                           
   70   70   N  S    S+     0   0   12      1,-0.3     2,-0.2     2,-0.1    62,-0.1   0.412 111.4  58.3  49.7  39.1   -0.4    3.3  -11.7                           
   71   71   Q        +     0   0   12      3,-0.2    -1,-0.3    -5,-0.1    -2,-0.2  -0.948  60.0  89.0-168.4 174.3    0.3    7.2  -11.9                           
   72   72   V        -     0   0   28     -2,-0.2    -2,-0.1    -3,-0.1    -1,-0.1   0.384  68.7-106.9 100.4 140.9    0.8   10.5   -9.8                           
   73   73   E  S    S+     0   0  157      2,-0.1     2,-0.1    37,-0.0    -1,-0.1   0.890 101.7  86.4 -62.9 -42.9    3.9   11.9   -8.5                           
   74   74   A  S    S-     0   0    9      1,-0.1     2,-0.3    39,-0.0    -3,-0.2  -0.432  81.1-121.8 -69.2 155.0    2.7   10.8   -5.2                           
   75   75   K        -     0   0   32     34,-0.5     2,-0.5    36,-0.2    36,-0.1  -0.740  24.5-172.1-119.2 128.8    3.4    7.4   -4.1                           
   76   76   I        -     0   0    8     -2,-0.3     2,-0.2    31,-0.1    49,-0.2  -0.974  19.6-159.3-114.0 114.3    1.7    4.2   -3.1                           
   77   77   C        +     0   0    0     -2,-0.5    43,-0.2    31,-0.4    31,-0.1  -0.619  17.3 172.3 -75.8 157.1    3.9    1.5   -1.9                           
   78   78   C  B     -b  120   0B   0     41,-1.6    43,-1.9    -2,-0.2    44,-0.3  -0.754  24.0-155.6-138.9 126.5    2.9   -2.0   -1.8                           
   79   79   P  S    S+     0   0   42      0, 0.0     2,-0.3     0, 0.0    41,-0.3   0.845  89.9  23.4 -56.3 -32.9    5.8   -4.2   -0.9                           
   80   80   R  S >> S-     0   0  112     39,-0.1     4,-1.6     1,-0.1     3,-1.1  -1.000  80.7-118.4-149.0 161.1    3.6   -6.5   -2.8                           
   81   81   T  H 3> S+     0   0   35      1,-0.3     4,-2.8    -2,-0.3     5,-0.1   0.699 110.8  49.9 -62.4 -41.0    0.8   -6.6   -5.4                           
   82   82   I  H 3> S+     0   0   82      2,-0.2     4,-2.4     1,-0.2    -1,-0.3   0.887 111.0  55.2 -56.3 -35.8   -2.0   -8.2   -3.6                           
   83   83   D  H <> S+     0   0    5     -3,-1.1     4,-2.0     2,-0.2    -2,-0.3   0.924 110.4  45.2 -62.1 -43.0   -1.2   -5.6   -0.9                           
   84   84   R  H  X S+     0   0    5     -4,-1.6     4,-2.4     2,-0.2     5,-0.3   0.870 108.0  54.6 -60.3 -42.0   -1.6   -2.9   -3.5                           
   85   85   N  H  X S+     0   0    0     -4,-2.8     4,-3.9     1,-0.2   -76,-0.5   0.862 107.8  52.8 -62.3 -36.6   -4.7   -4.4   -4.8                           
   86   86   I  H  X S+     0   0   37     -4,-2.4     4,-3.9     3,-0.2     5,-0.3   0.912 107.4  50.9 -60.2 -43.1   -5.9   -4.1   -1.2                           
   87   87   Y  H  X S+     0   0    1     -4,-2.0     4,-2.4     2,-0.2    -2,-0.2   0.959 121.9  31.3 -59.0 -51.4   -5.0   -0.5   -1.1                           
   88   88   N  H  X S+     0   0    1     -4,-2.4     4,-3.0     2,-0.2    -2,-0.2   0.912 121.8  52.7 -72.6 -42.9   -6.9    0.3   -4.3                           
   89   89   A  H  X S+     0   0    3     -4,-3.9     4,-2.0   -80,-0.4    -3,-0.2   0.928 114.6  41.5 -65.7 -43.7   -9.5   -2.5   -3.5                           
   90   90   C  H  X>S+     0   0   18     -4,-3.9     4,-1.5    -5,-0.2     5,-1.5   0.899 112.1  55.9 -64.4 -42.7  -10.1   -1.0    0.1                           
   91   91   R  H  <5S+     0   0   19     -4,-2.4     4,-0.4    -5,-0.3     3,-0.4   0.934 111.2  43.6 -55.2 -49.0  -10.1    2.5   -1.4                           
   92   92   L  H  <5S+     0   0    0     -4,-3.0    -1,-0.2     1,-0.2    -2,-0.2   0.822 105.0  61.5 -62.6 -39.0  -12.9    1.4   -3.7                           
   93   93   T  H  <5S-     0   0   78     -4,-2.0    -1,-0.2    -5,-0.1    -2,-0.2   0.797 131.3 -85.6 -57.3 -36.2  -14.9   -0.6   -1.1                           
   94   94   G  T  <5S+     0   0   57     -4,-1.5     2,-0.3    -3,-0.4    -3,-0.2   0.557  81.7 135.2 139.8  39.7  -15.3    2.7    0.7                           
   95   95   A      < -     0   0   27     -5,-1.5    -1,-0.2    -4,-0.4     5,-0.1  -0.809  53.5-100.2-127.2 143.8  -12.3    3.2    2.9                           
   96   96   S     >  -     0   0   71     -2,-0.3     4,-2.0     1,-0.1     5,-0.2  -0.268  31.7-125.5 -63.9 143.1   -9.7    5.7    4.1                           
   97   97   M  H  > S+     0   0   41      1,-0.3     4,-1.8     2,-0.2    10,-0.2   0.825 110.7  47.9 -65.9 -37.0   -6.3    5.6    2.6                           
   98   98   T  H  > S+     0   0  102      2,-0.2     4,-1.7     1,-0.2    -1,-0.3   0.881 111.3  54.0 -62.4 -40.0   -4.3    5.4    5.8                           
   99   99   N  H  4 S+     0   0   82      2,-0.2     4,-0.5     1,-0.2    -2,-0.2   0.896 105.1  52.0 -61.2 -40.3   -6.8    2.6    6.8                           
  100  100   C  H >X S+     0   0    0     -4,-2.0     4,-1.1     1,-0.2     3,-0.6   0.869 109.9  56.8 -61.4 -38.1   -5.9    0.8    3.4                           
  101  101   N  H 3<>S+     0   0   15     -4,-1.8     5,-2.4    -5,-0.2    -2,-0.2   0.869 107.1  40.7 -55.8 -47.7   -2.3    1.3    4.8                           
  102  102   S  B 3<5S+C  105   0C  87     -4,-1.7    -1,-0.2     3,-0.2     3,-0.2   0.668 108.8  63.5 -62.5 -21.0   -2.6   -0.5    8.1                           
  103  103   M  T <45S+     0   0   99      1,-0.7     2,-0.3    -3,-0.6    -2,-0.2   0.633 121.8  12.2-120.9 -49.3   -4.6   -3.2    6.7                           
  104  104   Q  T  <5S-     0   0   57     -4,-1.1     2,-2.3   -21,-0.1    -1,-0.7  -0.753 104.9-101.3-103.6 159.7   -2.0   -4.6    4.3                           
  105  105   V  B   5S+C  102   0C 110     -2,-0.3    -3,-0.2     1,-0.2    -4,-0.1  -0.494  75.5 150.0 -81.3  77.0    1.2   -3.0    5.3                           
  106  106   N      < -     0   0    1     -5,-2.4    -1,-0.2    -2,-2.3    -5,-0.1   0.974  36.9 -39.3 -93.8 -61.9    0.8   -0.7    2.5                           
  107  107   C        +     0   0   11     -3,-0.2   -29,-0.1   -10,-0.2   -31,-0.1   0.725  35.6 159.1-133.7 -94.9    1.8    2.7    1.7                           
  108  108   E        +     0   0  130    -11,-0.1   -31,-0.4   -31,-0.1   -33,-0.1   0.092  35.2 111.9  69.0-174.2    2.1    6.2    3.3                           
  109  109   G        -     0   0   49      1,-0.1   -34,-0.5   -33,-0.1    -1,-0.1   0.709  40.7-161.0  91.4 113.5    4.4    8.8    1.8                           
  110  110   A  S    S+     0   0   86    -36,-0.1     2,-0.2     3,-0.1    -1,-0.1   0.418  72.1  80.3 -89.2  -4.3    3.7   12.1   -0.0                           
  111  111   V  S    S-     0   0   76      2,-0.3   -36,-0.2     3,-0.1     0, 0.0  -0.684  92.3-102.3-126.0 154.8    7.1   12.2   -1.6                           
  112  112   S  S    S+     0   0   57     -2,-0.2     2,-0.8     1,-0.1     3,-0.1   0.593 107.5  70.8 -66.1 -18.1    8.8   10.6   -4.6                           
  113  113   Q        -     0   0  132      1,-0.2    -2,-0.3   -38,-0.1    -1,-0.1  -0.885  66.9-167.9 -93.9 115.9   10.6    8.2   -2.6                           
  114  114   C        -     0   0   10     -2,-0.8   -37,-0.2   -38,-0.1    -1,-0.2   0.887  46.3-107.4 -69.8 -52.0    7.9    5.9   -1.4                           
  115  115   T  B >   -D  118   0D  74      3,-0.6     3,-2.1    -3,-0.1     2,-0.8   0.677  13.1-115.0 159.9 128.4   10.3    4.4    1.0                           
  116  116   N  T 3  S+     0   0  130      1,-0.4     3,-0.2     4,-0.0     4,-0.1   0.260 103.4  81.2 -63.4  -7.4   12.0    1.0    0.9                           
  117  117   A  T 3  S+     0   0  111     -2,-0.8    -1,-0.4     1,-0.3     2,-0.3   0.745 123.4   5.6 -58.2 -21.6   10.4   -0.6    3.9                           
  118  118   C  B <  S+D  115   0D  16     -3,-2.1    -3,-0.6   -40,-0.1    -1,-0.3  -0.946  81.2 114.6-143.0 159.4    8.1   -0.7    1.1                           
  119  119   S    >   +     0   0   13     -2,-0.3     3,-3.4   -41,-0.2   -41,-1.6   0.061  26.3 120.4-141.7 -66.1    7.9    0.0   -2.7                           
  120  120   N  B 3> S+b   78   0B  87      1,-0.4     4,-3.8   -41,-0.3     5,-0.2  -0.031  89.7  45.1 -55.3 -27.9    7.5   -2.3   -5.3                           
  121  121   F  H 3> S+     0   0    9    -43,-1.9     4,-3.6    -2,-0.9    -1,-0.4   0.893 112.9  56.7 -60.3 -39.1    4.2   -1.0   -6.7                           
  122  122   C  H <> S+     0   0    4     -3,-3.4     4,-2.6   -44,-0.3    -1,-0.2   0.969 110.7  41.6 -56.2 -44.8    6.0    2.3   -6.3                           
  123  123   T  H  > S+     0   0   83      2,-0.2     4,-2.8     1,-0.2    -2,-0.3   0.905 115.7  48.7 -62.6 -41.5    8.6    0.8   -8.5                           
  124  124   K  H  X S+     0   0  107     -4,-3.8     4,-3.6     1,-0.2     5,-0.3   0.897 113.8  49.7 -64.2 -40.0    6.0   -0.9  -10.9                           
  125  125   G  H  X S+     0   0    6     -4,-3.6     4,-3.3     2,-0.2     5,-0.4   0.940 109.2  48.4 -65.8 -45.0    4.3    2.5  -11.1                           
  126  126   S  H  X S+     0   0   53     -4,-2.6     4,-2.0    -5,-0.3    -1,-0.2   0.973 118.4  42.5 -64.0 -44.7    7.3    4.4  -11.8                           
  127  127   A  H  X S+     0   0   66     -4,-2.8     4,-1.1     1,-0.2    -2,-0.2   0.950 122.6  36.0 -63.8 -45.5    8.2    2.0  -14.5                           
  128  128   K  H  X S+     0   0   72     -4,-3.6     4,-2.4     1,-0.2    -1,-0.2   0.732 110.6  59.4 -92.9 -16.3    4.9    1.5  -16.0                           
  129  129   V  H  X S+     0   0   24     -4,-3.3     4,-3.9    -5,-0.3    -1,-0.2   0.877  99.3  58.7 -64.5 -35.5    3.8    5.0  -15.6                           
  130  130   V  H  < S+     0   0  114     -4,-2.0    -2,-0.2    -5,-0.4    -1,-0.2   0.916 111.0  45.6 -51.0 -45.3    6.7    5.9  -17.7                           
  131  131   E  H  < S+     0   0  143     -4,-1.1    -2,-0.2     1,-0.2    -1,-0.2   0.877 113.9  44.1 -62.4 -45.7    4.8    3.5  -20.1                           
  132  132   T  H  <        0   0   19     -4,-2.4   -93,-0.2   -62,-0.1    -2,-0.2   0.911 360.0 360.0 -65.7 -42.7    1.3    5.1  -19.5                           
  133  133   A     <        0   0   91     -4,-3.9   -95,-0.0   -95,-0.2    -3,-0.0  -0.091 360.0 360.0 -78.9 360.0    3.0    8.6  -19.8