Secondary structure calculation program - copyright by David Keith Smith, 1989
 1ic6A.pdb                                                   
 1IC6  HYDROLASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  279
             A       A K K                                                                        hydrogen bonding             Ooi's
 strk chain/ l amino u & S structure   bridge        dihedral angles                     donor    acceptor   donor    acceptor  N  N
 num  seq.no t acids t S + patterns   partners    phi    psi  omega  alpha kappa   tco to/energy fr/energy to/energy fr/energy  8 14
    1 A   1    ALA A     e              0    0  999.9  157.9 -179.3  999.9 999.9 999.9    0  0.0   25 -2.1    0  0.0    0  0.0  6 35
    2 A   2    ALA A   E E  AA     -   24    0 -143.8  132.9  173.8 -160.1 999.9 173.2    0  0.0    4 -0.6    0  0.0    0  0.0  7 35
    3 A   3    GLN Q   E E  AA > T -   23    0 -111.6  110.0  179.7 -148.0  21.3 163.4   23 -2.3   23 -2.6    0  0.0    6 -0.7  8 36
    4 A   4    THR T   T T     3 TS+    0    0  -77.3  150.9  179.2   14.2  77.4 116.8    2 -0.6    0  0.0    0  0.0    0  0.0  7 26
    5 A   5    ASN N   T T     3 TS+    0    0   52.6   45.4 -179.6  170.8  89.9  29.4    0  0.0    0  0.0    0  0.0    0  0.0  7 28
    6 A   6    ALA A     t     < T -    0    0  -78.3  162.7  169.3  -78.2  46.6 113.3   21 -2.4    0  0.0    3 -0.7    0  0.0 13 43
    7 A   7    PRO P     h >   > T -    0    0  -52.9  144.2 -174.3 -111.9  50.8 106.3    0  0.0   11 -2.0    0  0.0   10 -0.9 10 57
    8 A   8    TRP W   H H >   3 TS+    0    0  -55.3  -37.7 -176.7   57.9 114.2  36.1    0  0.0   12 -2.6    0  0.0    0  0.0 11 52
    9 A   9    GLY G   H H >   3 TS+    0    0  -64.1  -39.0  177.1   48.1 105.9  29.7    0  0.0   13 -1.9    0  0.0    0  0.0 13 74
   10 A  10    LEU L   H H >   < TS+    0    0  -66.3  -46.2  175.4   48.2 113.2  21.1    7 -0.9   14 -0.8    0  0.0    0  0.0 14 72
   11 A  11    ALA A   H H <   > TS+    0    0  -57.3  -41.1 -176.9   53.5 110.2  22.5    7 -2.0   14 -1.0    0  0.0    0  0.0 14 57
   12 A  12    ARG R   H H <   > TS+    0    0  -63.3  -40.4  176.8   58.7 101.4  28.5    8 -2.6   15 -1.5    0  0.0    0  0.0 17 64
   13 A  13    ILE I   H H <   3 TS+    0    0  -57.0  -28.3 -178.4   43.7 110.6  49.7    9 -1.9  275 -3.0    0  0.0    0  0.0 12 76
   14 A  14    SER S   T h <   < TS+    0    0 -110.7   25.8  179.2   72.2 106.2  84.1   11 -1.0    0  0.0   10 -0.8    0  0.0 13 58
   15 A  15    SER S     t     < T -    0    0 -138.1  151.4  172.2 -145.1  64.1 168.3   12 -1.5    0  0.0    0  0.0    0  0.0 10 49
   16 A  16    THR T   S S        S+    0    0  -87.3   -2.2  179.8   48.6  91.9  59.6    0  0.0    0  0.0    0  0.0    0  0.0  7 40
   17 A  17    SER S   S t     > TS-    0    0 -137.2  152.7  175.2 -114.7  83.5 164.1    0  0.0   20 -0.5    0  0.0    0  0.0  6 38
   18 A  18    PRO P   T T     3 TS+    0    0  -73.9  162.6  173.7   50.9  87.2 110.5    0  0.0    0  0.0    0  0.0    0  0.0  9 41
   19 A  19    GLY G   T T     3 TS+    0    0   93.4    2.2  179.1  126.3  72.2  62.5    0  0.0    0  0.0    0  0.0    0  0.0  8 30
   20 A  20    THR T     t     < T -    0    0  -88.9  167.1 -175.8 -160.3  42.0 117.0   17 -0.5    0  0.0    0  0.0    0  0.0  9 29
   21 A  21    SER S               +    0    0 -129.6   -3.9  178.7   87.2  60.1  60.4    0  0.0    6 -2.4    0  0.0    0  0.0 11 31
   22 A  22    THR T               -    0    0 -103.8  132.7  175.4 -145.7  62.3 149.3    0  0.0   24 -0.7    0  0.0    0  0.0 11 36
   23 A  23    TYR Y   E E  AA     -    3    0  -94.3  111.9  179.2 -164.6  17.4 149.0    3 -2.6    3 -2.3    0  0.0    0  0.0 14 51
   24 A  24    TYR Y   E E  AA     +    2    0  -98.6  130.6 -177.6  148.7  22.7 148.0   22 -0.7    0  0.0    0  0.0    0  0.0 10 46
   25 A  25    TYR Y     e         -    0    0 -159.3  153.5  176.0  -90.6  50.7 175.3    1 -2.1    0  0.0    0  0.0    0  0.0 10 55
   26 A  26    ASP D     t     > T -    0    0  -68.4  136.5 -178.9 -124.7  38.1 119.6    0  0.0   29 -2.1    0  0.0    0  0.0  8 42
   27 A  27    GLU E   T T     3 TS+    0    0  -57.1  -22.1  175.5   80.3 102.2  47.5    0  0.0    0  0.0    0  0.0    0  0.0  5 37
   28 A  28    SER S   T T     > TS-    0    0  -55.9  -37.1  166.2 -174.6  74.7  29.6    0  0.0   31 -2.5    0  0.0    0  0.0  9 40
   29 A  29    ALA A   T T     < T -    0    0   55.8   35.2 -179.6  -53.7  65.3  44.2   26 -2.1   87 -3.0    0  0.0    0  0.0 13 58
   30 A  30    GLY G   T T     > TS+    0    0   75.3   10.8  176.6  166.8  84.7  52.4    0  0.0   33 -2.1    0  0.0    0  0.0 16 63
   31 A  31    GLN Q   T T     < T +    0    0  -58.9  137.7  179.0   25.0  66.8 108.0   28 -2.5    0  0.0    0  0.0    0  0.0 13 48
   32 A  32    GLY G   T e     3 TS+    0    0   88.6   -8.1  173.7  102.9 102.5  69.5    0  0.0  125 -2.7    0  0.0  126 -0.5 12 42
   33 A  33    SER S   E E  Bb < T -  126    0  -96.7  167.4  177.5 -144.9  59.0 127.5   30 -2.1   89 -1.8    0  0.0    0  0.0 17 58
   34 A  34    CYS C   E E  Bbc    -  127   89 -135.8  136.4  178.1 -164.7   7.9 176.8  126 -2.0  128 -2.5    0  0.0    0  0.0 14 70
   35 A  35    VAL V   E E  Bbc    -  128   90 -125.3  119.9  172.4 -153.6   8.1 168.6   89 -2.9   91 -2.5    0  0.0   37 -0.5 16 88
   36 A  36    TYR Y   E E  Bbc    -  129   91  -87.1  125.8  178.8 -155.7   7.9 144.1  128 -2.9  130 -2.9    0  0.0   38 -0.7 13 87
   37 A  37    VAL V   E E  Bbc    -  130   92 -106.3  106.9 -172.6 -162.7   5.5 159.3   91 -2.9   93 -2.3   35 -0.5   39 -0.8 16 89
   38 A  38    ILE I   E E  B c    +    0   93  -97.7  102.9 -161.7   85.8  51.7 148.4  130 -2.3    0  0.0   36 -0.7    0  0.0 16 86
   39 A  39    ASP D   E E  B c   S-    0   94 -167.4 -147.4  179.6  -33.1  96.5 128.8   93 -2.3   96 -2.2   37 -0.8   95 -1.6 15 78
   40 A  40    THR T   S S        S-    0    0  -83.3    4.8 -174.8  -92.3  98.1  68.6    0  0.0    0  0.0    0  0.0    0  0.0 18 62
   41 A  41    GLY G               -    0    0  110.6 -177.9  178.2  -92.5  38.8 128.7    0  0.0    0  0.0    0  0.0    0  0.0 19 65
   42 A  42    ILE I               -    0    0 -139.0  130.1  172.1 -132.7  17.8 168.2    0  0.0   44 -1.8    0  0.0    0  0.0 15 68
   43 A  43    GLU E     t     > T -    0    0  -79.0   85.9 -173.5 -176.5  31.4 128.5    0  0.0   46 -2.1    0  0.0    0  0.0 11 57
   44 A  44    ALA A   T T     3 TS+    0    0  -62.4  -25.6  179.3   66.8  72.0  41.6   42 -1.8    0  0.0    0  0.0    0  0.0 10 57
   45 A  45    SER S   T T     3 T +    0    0  -72.3   -7.5 -177.4  121.8  69.9  57.4    0  0.0    0  0.0    0  0.0    0  0.0  8 39
   46 A  46    HIS H     g >   X T -    0    0  -58.6  131.4  179.3 -131.5  69.7 111.8   43 -2.1   49 -2.4    0  0.0   50 -0.5 11 44
   47 A  47    PRO P   G G 4   > TS+    0    0  -53.6  -31.0 -179.6   69.3 102.9  35.6    0  0.0   50 -1.3    0  0.0    0  0.0  7 33
   48 A  48    GLU E   G G 4   3 TS+    0    0  -64.4  -16.9  177.2   57.5  92.7  47.7    0  0.0   80 -2.5    0  0.0    0  0.0  9 44
   49 A  49    PHE F   G G 4   X TS-    0    0  -89.3  -16.2  169.9 -151.6  89.8  51.5   46 -2.4   52 -2.7    0  0.0    0  0.0 13 53
   50 A  50    GLU E   T g <   < T -    0    0   59.4   28.4 -179.1  -56.3  67.6  39.0   47 -1.3    0  0.0   46 -0.5    0  0.0  9 33
   51 A  51    GLY G   T T     3 TS+    0    0   80.7    3.8 -178.9  110.8 117.0  62.9    0  0.0    0  0.0    0  0.0    0  0.0  8 30
   52 A  52    ARG R     e     < T +    0    0  -89.8   -1.4  177.4   74.9  61.9  66.4   49 -2.7   90 -2.9    0  0.0    0  0.0 10 48
   53 A  53    ALA A   E E  Bd     +   90    0 -110.4  146.8  171.2  165.3  53.4 153.5    0  0.0    0  0.0    0  0.0    0  0.0 13 61
   54 A  54    GLN Q   E E  Bd     -   91    0 -155.3  145.6  171.2 -119.2  35.6 168.8   90 -1.9   92 -2.6    0  0.0    0  0.0 10 48
   55 A  55    MET M   E E  Bd     +   92    0  -77.2  135.5  178.4  171.8  29.8 131.5    0  0.0    0  0.0    0  0.0    0  0.0 12 48
   56 A  56    VAL V   E E  B*     +    0    0 -120.5  -15.4 -179.9   14.0  62.2  57.7   92 -2.7    0  0.0    0  0.0    0  0.0  7 50
   57 A  57    LYS K   E E  Bd     -   93    0 -161.7  140.8  171.2 -173.8  52.6 159.9   92 -1.4   94 -2.8    0  0.0    0  0.0  8 47
   58 A  58    THR T   E E  Bd     -   94    0 -135.1  143.7  175.2 -165.5  15.1 175.0    0  0.0    0  0.0    0  0.0    0  0.0 12 46
   59 A  59    TYR Y   S e        S+    0    0 -103.3   10.1 -177.8   65.7  76.3  82.3   94 -2.2    0  0.0    0  0.0    0  0.0  7 40
   60 A  60    TYR Y   S S        S-    0    0 -123.5 -175.2 -174.5  -83.5 104.0 132.9    0  0.0    0  0.0    0  0.0    0  0.0  8 35
   61 A  61    TYR Y   S S        S+    0    0  -64.0  -32.7  179.8   22.1 110.9  37.4    0  0.0    0  0.0    0  0.0    0  0.0  5 23
   62 A  62    SER S               -    0    0 -130.9  161.1  170.8 -134.2  65.4 153.1    0  0.0    0  0.0    0  0.0    0  0.0  5 27
   63 A  63    SER S   S S        S+    0    0  -88.9   -3.2 -179.1  118.7  71.2  60.7    0  0.0    0  0.0    0  0.0    0  0.0 10 39
   64 A  64    ARG R   S S        S-    0    0  -65.9  139.9  168.0 -126.5  70.5 109.8    0  0.0   66 -1.1    0  0.0    0  0.0  7 44
   65 A  65    ASP D               +    0    0  -80.7  100.6  176.5  172.9  34.2 139.7    0  0.0    0  0.0    0  0.0    0  0.0 14 50
   66 A  66    GLY G   S S        S+    0    0  -90.9    7.7 -178.9   47.0  72.6  71.4   64 -1.1    0  0.0    0  0.0    0  0.0 10 41
   67 A  67    ASN N   S S        S-    0    0 -110.5  -55.7 -175.1 -135.4  89.1  38.1    0  0.0    0  0.0    0  0.0    0  0.0 11 47
   68 A  68    GLY G   S h >     TS+    0    0  116.7  -30.1 -174.0  101.8  76.8  93.1    0  0.0   72 -2.5    0  0.0    0  0.0 11 53
   69 A  69    HIS H   H H >     TS+    0    0  -56.5  -47.2 -179.1   45.0  84.6  23.7    0  0.0   73 -2.5    0  0.0    0  0.0 10 63
   70 A  70    GLY G   H H >     TS+    0    0  -66.0  -37.2  176.4   51.9 112.5  27.9    0  0.0   74 -2.7    0  0.0    0  0.0 14 84
   71 A  71    THR T   H H >     TS+    0    0  -63.9  -39.0  178.8   49.8 110.2  27.4    0  0.0   75 -2.0    0  0.0    0  0.0 15 76
   72 A  72    HIS H   H H X     TS+    0    0  -64.6  -49.2  179.4   45.7 112.6  17.2   68 -2.5   76 -1.9    0  0.0    0  0.0 13 78
   73 A  73    CYS C   H H X     TS+    0    0  -61.0  -45.5  177.5   51.0 112.4  21.4   69 -2.5   77 -2.0    0  0.0    0  0.0 15 88
   74 A  74    ALA A   H H X     TS+    0    0  -58.7  -38.0  178.2   55.4 107.2  28.1   70 -2.7   78 -2.7    0  0.0    0  0.0 15 88
   75 A  75    GLY G   H H X     TS+    0    0  -64.4  -36.1  177.4   50.2 105.9  30.0   71 -2.0   79 -2.0    0  0.0    0  0.0 15 85
   76 A  76    THR T   H H <     TS+    0    0  -71.5  -32.4  174.1   46.9 113.8  31.3   72 -1.9   84 -2.4    0  0.0    0  0.0 16 91
   77 A  77    VAL V   H H <     TS-    0    0  -64.1  -52.8 -161.0  -12.7 138.9  15.7   73 -2.0   85 -2.8    0  0.0    0  0.0 17 88
   78 A  78    GLY G   H H <     TS+    0    0 -148.7   13.8  172.7  127.9  82.6  70.5   74 -2.7    0  0.0    0  0.0    0  0.0 17 76
   79 A  79    SER S     h X     T -    0    0  -71.5  160.3  178.3 -115.0  63.4 112.0   75 -2.0   83 -1.5    0  0.0    0  0.0 16 67
   80 A  80    ARG R   T T 4     TS+    0    0  -56.9  -56.6 -173.0   22.8 108.9  17.1   48 -2.5    0  0.0    0  0.0    0  0.0 11 56
   81 A  81    THR T   T T 4     TS+    0    0  -84.7  -33.8 -169.4   32.3 135.0  34.6    0  0.0    0  0.0    0  0.0    0  0.0  7 53
   82 A  82    TYR Y   T T 4     TS+    0    0 -107.1   -1.4 -172.4  101.5  97.0  63.7    0  0.0    0  0.0    0  0.0    0  0.0 15 68
   83 A  83    GLY G     t <     T -    0    0  -97.8  152.1  174.7 -150.9  57.1 125.2   79 -1.5    0  0.0    0  0.0    0  0.0 16 82
   84 A  84    VAL V   S S        S+    0    0  -73.6  -46.0 -173.7   37.9 101.4  27.8   76 -2.4   86 -0.7    0  0.0    0  0.0 14 80
   85 A  85    ALA A   S t     > TS-    0    0 -113.1   84.1 -165.3 -177.7  74.5 144.5   77 -2.8   88 -1.6    0  0.0    0  0.0 15 73
   86 A  86    LYS K   T T     3 TS+    0    0  -72.8   -6.8  179.1   41.3  77.1  57.0   84 -0.7    0  0.0    0  0.0    0  0.0 13 62
   87 A  87    LYS K   T T     3 TS+    0    0 -122.1   11.5  177.0  118.6  86.3  76.2   29 -3.0    0  0.0    0  0.0    0  0.0 12 55
   88 A  88    THR T     t     < T -    0    0  -71.8  164.9  171.2 -112.4  67.1 104.0   85 -1.6    0  0.0    0  0.0    0  0.0 16 63
   89 A  89    GLN Q   E E  Bc     -   34    0  -95.1  132.2 -179.5 -151.5  30.8 152.7   33 -1.8   35 -2.9    0  0.0    0  0.0 12 65
   90 A  90    LEU L   E E  Bcd    -   35   53 -110.6  133.6  177.0 -169.1  10.2 152.6   52 -2.9   54 -1.9    0  0.0    0  0.0 13 77
   91 A  91    PHE F   E E  Bcd    -   36   54 -121.8  126.0 -178.5 -144.7  13.1 169.6   35 -2.5   37 -2.9    0  0.0    0  0.0 12 74
   92 A  92    GLY G   E E  Bcd    -   37   55  -97.6  131.8  176.8 -177.5  15.2 140.7   54 -2.6   56 -2.7    0  0.0   57 -1.4 15 71
   93 A  93    VAL V   E E  Bcd    -   38   57 -124.9  109.1 -174.7 -148.7  18.5 165.2   37 -2.3   39 -2.3    0  0.0   95 -1.2 15 65
   94 A  94    LYS K   E E  Bcd    +   39   58  -89.1   95.4  175.0  142.7  41.7 131.9   57 -2.8   59 -2.2    0  0.0    0  0.0 16 62
   95 A  95    VAL V     e         +    0    0 -102.3  -11.5  179.5   70.9  59.3  59.6   39 -1.6    0  0.0   93 -1.2    0  0.0 15 59
   96 A  96    LEU L   S S        S-    0    0 -110.5  141.3  178.9 -126.9  79.7 152.0   39 -2.2    0  0.0    0  0.0    0  0.0 13 52
   97 A  97    ASP D     t     > T -    0    0  -74.2 -179.7 -175.0  -86.6  40.0  94.2  101 -3.3  100 -2.3    0  0.0    0  0.0 12 41
   98 A  98    ASP D   T T     3 TS+    0    0  -74.7   -4.3  169.2   57.1 128.9  55.8    0  0.0    0  0.0    0  0.0    0  0.0  9 35
   99 A  99    ASN N   T T     3 TS-    0    0  -97.1    2.1  180.0 -107.2 121.6  69.3    0  0.0    0  0.0    0  0.0    0  0.0  7 27
  100 A 100    GLY G   S t     < TS+    0    0   86.4    7.2 -175.7  122.5  81.6  55.0   97 -2.3    0  0.0    0  0.0    0  0.0 10 43
  101 A 101    SER S               +    0    0 -102.9  155.6  174.7  171.4  32.6 136.7    0  0.0   97 -3.3    0  0.0    0  0.0  7 36
  102 A 102    GLY G               -    0    0 -162.5  145.0  176.0 -114.3  32.2 164.4    0  0.0    0  0.0    0  0.0    0  0.0  9 41
  103 A 103    GLN Q     h >   > T -    0    0  -74.5  148.0  178.6 -122.3  30.5 120.1    0  0.0  107 -2.1    0  0.0  106 -0.7  7 34
  104 A 104    TYR Y   H H >   3 TS+    0    0  -60.2  -36.0  178.5   60.5 111.0  30.5    0  0.0  108 -2.9    0  0.0    0  0.0  7 41
  105 A 105    SER S   H H >   3 TS+    0    0  -57.8  -40.1 -179.1   44.8 108.5  26.5    0  0.0  109 -2.1    0  0.0    0  0.0  6 36
  106 A 106    THR T   H H >   < TS+    0    0  -70.1  -42.7  178.4   50.7 111.9  26.9  103 -0.7  110 -2.3    0  0.0    0  0.0 10 41
  107 A 107    ILE I   H H X     TS+    0    0  -61.6  -44.1  175.8   49.3 111.5  22.1  103 -2.1  111 -1.9    0  0.0    0  0.0 12 58
  108 A 108    ILE I   H H X     TS+    0    0  -58.2  -48.5 -179.5   51.9 109.0  20.7  104 -2.9  112 -2.5    0  0.0    0  0.0 12 51
  109 A 109    ALA A   H H X     TS+    0    0  -58.4  -40.7  179.2   53.3 107.4  24.5  105 -2.1  113 -2.5    0  0.0    0  0.0  8 41
  110 A 110    GLY G   H H X     TS+    0    0  -63.4  -37.8  174.9   49.7 108.2  27.8  106 -2.3  114 -1.9    0  0.0    0  0.0 12 61
  111 A 111    MET M   H H X     TS+    0    0  -63.0  -47.6  178.9   47.8 111.9  19.7  107 -1.9  115 -2.1    0  0.0    0  0.0 12 64
  112 A 112    ASP D   H H X     TS+    0    0  -60.3  -38.7  176.8   56.6 108.4  28.7  108 -2.5  116 -1.5    0  0.0    0  0.0 11 49
  113 A 113    PHE F   H H X     TS+    0    0  -56.8  -46.9 -177.3   48.5 106.6  21.0  109 -2.5  117 -3.5    0  0.0    0  0.0  8 49
  114 A 114    VAL V   H H X     TS+    0    0  -62.6  -42.3 -179.1   58.0 105.2  23.9  110 -1.9  118 -2.1    0  0.0    0  0.0 11 57
  115 A 115    ALA A   H H <     TS+    0    0  -56.9  -36.3  177.0   32.6 118.7  31.2  111 -2.1    0  0.0    0  0.0    0  0.0 13 49
  116 A 116    SER S   H H <   > TS+    0    0  -82.9  -48.4 -175.4   56.6 114.1  26.0  112 -1.5  119 -1.6    0  0.0    0  0.0  8 35
  117 A 117    ASP D   H H <   > TS+    0    0  -58.3  -31.4 -178.0   69.5  93.1  36.3  113 -3.5  120 -2.3    0  0.0    0  0.0  8 39
  118 A 118    LYS K   G h <   > TS+    0    0  -61.9  -24.3  177.6   65.8  88.4  33.7  114 -2.1  121 -1.4    0  0.0    0  0.0 10 46
  119 A 119    ASN N   G G     < TS+    0    0  -69.5  -12.2 -179.5   49.7 101.8  50.9  116 -1.6    0  0.0    0  0.0    0  0.0  7 30
  120 A 120    ASN N   G G     < TS+    0    0 -104.2    2.6 -174.2   78.2 100.7  70.8  117 -2.3    0  0.0    0  0.0    0  0.0  6 25
  121 A 121    ARG R   S g     < TS-    0    0 -117.2  148.9  177.1 -122.8  79.7 147.4  118 -1.4  123 -0.9    0  0.0    0  0.0  6 34
  122 A 122    ASN N               +    0    0  -94.2  105.9 -174.0  150.9  46.2 143.7    0  0.0    0  0.0    0  0.0    0  0.0  6 32
  123 A 123    CYS C     t     > T +    0    0 -135.9   69.8 -171.0  173.9  12.9 132.4  121 -0.9  126 -2.0    0  0.0    0  0.0 10 42
  124 A 124    PRO P   T T     3 TS+    0    0  -58.8  -28.9  179.8   47.7  79.2  41.3    0  0.0    0  0.0    0  0.0    0  0.0  6 36
  125 A 125    LYS K   T T     3 TS-    0    0  -92.5   -0.3  175.3  -96.1 120.7  64.5   32 -2.7    0  0.0    0  0.0    0  0.0 12 45
  126 A 126    GLY G   E E  Bb < T -   33    0  112.7  174.2 -170.3  -80.3  34.5 116.5  123 -2.0   34 -2.0   32 -0.5    0  0.0 14 59
  127 A 127    VAL V   E E  Bb     -   34    0 -127.5  136.0  179.2 -175.3  29.7 162.3    0  0.0  154 -2.6    0  0.0    0  0.0 15 70
  128 A 128    VAL V   E E  Bbe    -   35  154 -125.1  149.9  171.7 -155.8   9.5 156.1   34 -2.5   36 -2.9    0  0.0    0  0.0 16 82
  129 A 129    ALA A   E E  Bbe    -   36  155 -129.5  133.8 -179.4 -157.4   5.5 178.5  154 -2.9  156 -2.7    0  0.0  131 -0.5 14 94
  130 A 130    SER S   E E  Bbe    -   37  156 -114.9  121.0 -175.8 -173.4   7.2 161.5   36 -2.9   38 -2.3    0  0.0  132 -0.6 14 90
  131 A 131    LEU L   E E  B e    +    0  157 -121.1   87.7  177.4  175.4   9.3 145.3  156 -2.7  158 -2.2  129 -0.5  133 -1.5 13 88
  132 A 132    SER S               +    0    0  -89.2   68.4 -174.4   76.3  58.1 124.0  130 -0.6    0  0.0    0  0.0    0  0.0 14 83
  133 A 133    LEU L               +    0    0 -163.7  171.5  174.5  130.7  44.0 163.0  131 -1.5    0  0.0    0  0.0    0  0.0 10 79
  134 A 134    GLY G               -    0    0  150.0  171.7  179.9 -166.0  18.1 141.7    0  0.0    0  0.0    0  0.0    0  0.0 10 67
  135 A 135    GLY G   E E  CF     -  170    0 -154.6 -149.7 -179.3  -15.9  53.7 132.1  170 -2.1  170 -2.4    0  0.0    0  0.0  8 48
  136 A 136    GLY G   E E  CF    S-  169    0  -66.5  164.6 -176.2  -65.4  88.7  95.1    0  0.0    0  0.0    0  0.0    0  0.0  7 35
  137 A 137    TYR Y     e         +    0    0  -55.4  135.1  174.2  170.1  56.9 102.3  168 -1.3    0  0.0    0  0.0    0  0.0 10 38
  138 A 138    SER S     h >     T -    0    0 -147.3  120.7  176.6 -157.5  28.7 158.5    0  0.0  142 -2.4    0  0.0    0  0.0  9 31
  139 A 139    SER S   H H >     TS+    0    0  -64.7  -33.6  179.6   54.9  98.6  31.2    0  0.0  143 -2.6    0  0.0    0  0.0  7 29
  140 A 140    SER S   H H >     TS+    0    0  -67.3  -41.5  176.8   46.2 108.9  24.5    0  0.0  144 -2.0    0  0.0    0  0.0  7 33
  141 A 141    VAL V   H H >     TS+    0    0  -65.4  -44.2  179.3   49.1 113.7  21.7    0  0.0  145 -2.1    0  0.0    0  0.0 12 50
  142 A 142    ASN N   H H X     TS+    0    0  -60.9  -41.7  179.5   51.7 109.9  22.2  138 -2.4  146 -2.6    0  0.0    0  0.0 13 48
  143 A 143    SER S   H H X     TS+    0    0  -62.1  -40.1  177.8   52.6 107.5  27.2  139 -2.6  147 -2.6    0  0.0    0  0.0  9 38
  144 A 144    ALA A   H H X     TS+    0    0  -61.0  -43.0  178.5   47.1 110.8  25.4  140 -2.0  148 -2.3    0  0.0    0  0.0 11 51
  145 A 145    ALA A   H H X     TS+    0    0  -64.7  -41.2  177.4   50.8 111.8  25.3  141 -2.1  149 -2.3    0  0.0    0  0.0 14 61
  146 A 146    ALA A   H H X     TS+    0    0  -62.5  -41.1  177.6   50.2 110.2  25.9  142 -2.6  150 -2.8    0  0.0    0  0.0 11 47
  147 A 147    ARG R   H H X     TS+    0    0  -61.9  -45.6 -177.5   51.4 108.7  22.2  143 -2.6  151 -2.0    0  0.0    0  0.0 10 43
  148 A 148    LEU L   H H <    >TS+    0    0  -60.2  -44.6  177.4   45.5 112.9  18.8  144 -2.3  153 -1.1    0  0.0    0  0.0 14 50
  149 A 149    GLN Q   H H X   >5TS+    0    0  -61.3  -47.6 -178.9   52.3 111.3  18.8  145 -2.3  152 -2.0    0  0.0  153 -0.5 14 54
  150 A 150    SER S   H H <   35TS+    0    0  -60.1  -29.1  179.7   65.7  98.8  36.4  146 -2.8    0  0.0    0  0.0    0  0.0  8 37
  151 A 151    SER S   T h <   35TS-    0    0  -70.3   -9.5  178.3  -90.3 129.8  54.2  147 -2.0    0  0.0    0  0.0    0  0.0  7 35
  152 A 152    GLY G   T T 4   <5TS+    0    0  107.2   26.7  178.5  127.0  86.1  47.4  149 -2.0    0  0.0    0  0.0    0  0.0 10 49
  153 A 153    VAL V     t <     T -  195    0  -73.0  124.6  179.6 -142.5  38.8 124.9    0  0.0  168 -1.7    0  0.0    0  0.0  8 45
  166 A 166    ALA A   G T     > TS+    0    0  -63.3  -10.7  175.1   88.8  87.8  54.5  195 -3.1  169 -2.0    0  0.0    0  0.0 15 56
  167 A 167    ARG R   G T     3 TS+    0    0  -57.1  -22.9 -177.0   53.9  86.7  42.2    0  0.0    0  0.0    0  0.0    0  0.0 11 42
  168 A 168    ASN N   G e     < TS+    0    0  -98.7   15.5 -176.5   72.4 100.9  78.8  165 -1.7  137 -1.3    0  0.0    0  0.0  8 36
  169 A 169    TYR Y   E E >CF < TS-  136    0 -131.9  151.9  179.5 -101.9  77.0 160.7  166 -2.0  173 -2.2    0  0.0    0  0.0 14 49
  170 A 170    SER S   E E 4CF   TS+  135    0 -134.9  137.9   15.6    3.0  92.6 166.5  135 -2.4  135 -2.1    0  0.0    0  0.0 16 59
  171 A 171    PRO P   T T 4   > TS+    0    0  -87.2    6.4 -179.4   71.0 122.9 173.0    0  0.0  174 -2.3    0  0.0    0  0.0 15 68
  172 A 172    ALA A   T T 4   3 TS+    0    0  -48.2  -42.0 -174.1   55.3  95.1  33.8    0  0.0    0  0.0    0  0.0    0  0.0 18 68
  173 A 173    SER S   T T <   3 TS+    0    0  -78.9   -2.8  176.6  110.0  75.7  59.7  169 -2.2    0  0.0    0  0.0    0  0.0 14 53
  174 A 174    GLU E     t     X T -    0    0  -71.1  119.1 -174.5 -152.9  60.3 128.1  171 -2.3  177 -1.2    0  0.0    0  0.0 12 52
  175 A 175    PRO P   T T     3 TS+    0    0  -65.4  -33.0 -168.7   61.9  83.7  35.4    0  0.0    0  0.0    0  0.0    0  0.0  8 48
  176 A 176    SER S   T T     3 TS+    0    0  -78.7   -7.3  177.4   67.4  95.2  55.2    0  0.0    0  0.0    0  0.0    0  0.0  6 48
  177 A 177    VAL V   S t     < TS-    0    0  -98.7 -177.5 -178.0  -92.4  96.2 108.7  174 -1.2  179 -0.7    0  0.0    0  0.0 13 65
  178 A 178    CYS C   E E  Bg     -  156    0 -103.9  104.5 -174.3 -159.8  38.9 153.0  155 -2.5  157 -2.8    0  0.0  180 -0.5 13 80
  179 A 179    THR T   E E  Bg     -  157    0  -94.0  123.5 -165.8 -155.3   9.8 142.5  177 -0.7  200 -2.6    0  0.0  201 -1.4 16 79
  180 A 180    VAL V   E E  Bgh    -  158  201 -115.2  119.1  171.6 -166.5  10.1 150.6  157 -2.8  159 -2.6  178 -0.5    0  0.0 18 85
  181 A 181    GLY G   E E  B h    -    0  202  -88.1  170.5 -177.1 -114.1  24.8 116.9  201 -2.6  203 -2.5    0  0.0    0  0.0 19 82
  182 A 182    ALA A   E E  B h    -    0  203 -114.4  142.8  173.5 -174.1  25.5 152.6    0  0.0  190 -2.8    0  0.0    0  0.0 16 76
  183 A 183    SER S   E E  BBh    -  189  204 -123.1  166.1  176.5 -129.1  17.1 144.1  203 -1.9  205 -3.1    0  0.0  206 -1.7 16 70
  184 A 184    ASP D     t     > T -    0    0 -109.9  176.2 -171.4  -91.3  37.5 122.0  188 -2.3  187 -2.1    0  0.0    0  0.0 12 54
  185 A 185    ARG R   T T     3 TS+    0    0  -69.0  -11.6  175.2   55.0 124.5  51.3    0  0.0    0  0.0    0  0.0    0  0.0 12 50
  186 A 186    TYR Y   T T     3 TS-    0    0 -101.7   14.8  177.9 -105.1 121.2  81.3    0  0.0    0  0.0    0  0.0    0  0.0  6 38
  187 A 187    ASP D   S t     < TS+    0    0   65.0   30.7  169.0  138.6  75.7  38.1  184 -2.1  262 -2.3    0  0.0    0  0.0 10 49
  188 A 188    ARG R   B B   c     -  262    0  -94.6  149.5  164.9 -101.3  66.2 143.8    0  0.0  184 -2.3    0  0.0    0  0.0 10 47
  189 A 189    ARG R   B B   B     -  183    0  -57.1  133.1  177.4  -99.9  54.3 117.1  262 -2.5    0  0.0    0  0.0    0  0.0 13 59
  190 A 190    SER S     t     > T -    0    0  -59.0  146.9 -174.0 -116.2  30.9 108.3  182 -2.8  193 -1.6    0  0.0    0  0.0 10 52
  191 A 191    SER S   T T     3 TS+    0    0  -55.3  -37.4 -177.6   37.8 113.1  37.0    0  0.0    0  0.0    0  0.0    0  0.0  5 39
  192 A 192    PHE F   T T     3 TS+    0    0  -91.8   -8.3 -170.5  124.3  87.6  62.0    0  0.0  163 -2.3    0  0.0    0  0.0  8 41
  193 A 193    SER S     t     < T -    0    0  -67.9  134.4  167.1 -130.4  57.3 111.5  190 -1.6    0  0.0    0  0.0    0  0.0 17 64
  194 A 194    ASN N               -    0    0  -65.7  166.3 -176.3 -175.6  30.0 103.2  160 -2.6    0  0.0    0  0.0    0  0.0 13 64
  195 A 195    TYR Y   B B   a     +  165    0 -146.6 -170.4  176.9  114.0  19.8 135.0  164 -2.2  166 -3.1    0  0.0    0  0.0 15 57
  196 A 196    GLY G   S t     > TS-    0    0  119.1  170.9 -177.7  -59.7  75.8 114.9    0  0.0  199 -1.5    0  0.0    0  0.0 13 45
  197 A 197    SER S   T T     3 TS+    0    0  -60.9  -25.2 -177.4   64.9 121.8  44.6    0  0.0    0  0.0    0  0.0    0  0.0  9 37
  198 A 198    VAL V   T T     3 TS+    0    0  -77.7  -17.9  177.5  104.0  76.3  45.6    0  0.0    0  0.0    0  0.0    0  0.0 13 47
  199 A 199    LEU L     t     < T -    0    0  -61.7  139.8  174.5 -174.5  47.4 114.7  196 -1.5    0  0.0    0  0.0    0  0.0 16 64
  200 A 200    ASP D               -    0    0  -99.2  -28.4 -166.8  -11.6  61.7  44.6  179 -2.6    0  0.0    0  0.0    0  0.0 13 68
  201 A 201    ILE I   E E  Bh     -  180    0 -167.0  158.6  169.3 -124.1  56.9 167.7  179 -1.4  181 -2.6    0  0.0    0  0.0 15 78
  202 A 202    PHE F   E E  Bhd    -  181  272 -113.4  150.1  170.5 -179.0  24.4 153.2  271 -1.9  273 -2.8    0  0.0    0  0.0 14 86
  203 A 203    GLY G   E E  Bh     -  182    0 -137.4  166.6  177.3  -71.6  44.3 160.0  181 -2.5  183 -1.9    0  0.0    0  0.0 16 88
  204 A 204    PRO P   E E  Bh     +  183    0  -58.0  127.8 -179.2  151.2  59.7 111.1    0  0.0    0  0.0    0  0.0    0  0.0 14 84
  205 A 205    GLY G     e         +    0    0 -138.7  -11.4  178.1   86.3  38.0  59.4  183 -3.1  222 -2.7    0  0.0  207 -0.5 17 71
  206 A 206    THR T   S S        S-    0    0  -99.8  127.1  175.3   -5.2 104.2 151.3  183 -1.7    0  0.0    0  0.0    0  0.0 13 53
  207 A 207    ASP D   S S        S+    0    0   61.0   60.4 -177.2  177.1  81.4  14.5  205 -0.5  209 -0.6    0  0.0    0  0.0  8 47
  208 A 208    ILE I   E E  DI     -  220    0 -103.3  115.4  176.8 -146.8  19.8 150.4  220 -2.7  220 -1.7    0  0.0    0  0.0 14 59
  209 A 209    LEU L   E E  DI     +  219    0  -81.1  130.4  177.5  134.3  38.1 131.7  207 -0.6    0  0.0    0  0.0    0  0.0 10 55
  210 A 210    SER S   E E  DI     -  218    0 -157.1 -177.8  175.1  -54.5  53.3 154.5  218 -2.1  218 -2.2    0  0.0    0  0.0 13 59
  211 A 211    THR T   E E  DI     -  217    0  -62.9  155.9  174.9 -173.8  46.5 105.1    0  0.0    0  0.0    0  0.0    0  0.0 18 56
  212 A 212    TRP W   E E >DI   T -  216    0 -145.6  166.3  179.7  -77.9  33.4 158.3  216 -2.3  216 -1.1    0  0.0    0  0.0 13 49
  213 A 213    ILE I   T T 4     TS+    0    0  -66.5  161.5 -172.8   45.8 108.5  98.2    0  0.0    0  0.0    0  0.0    0  0.0 13 42
  214 A 214    GLY G   T T 4     TS-    0    0   72.0   25.6  178.4  -72.2 132.7  40.4    0  0.0    0  0.0    0  0.0    0  0.0  5 28
  215 A 215    GLY G   T T 4     TS+    0    0   62.9   30.5 -173.2  124.0 105.4  35.3    0  0.0    0  0.0    0  0.0    0  0.0 10 35
  216 A 216    SER S   E E    > TS-    0    0  162.4  164.9  164.8  -88.2  77.5 144.1  205 -2.7  225 -1.6    0  0.0  226 -1.2 13 60
  223 A 223    THR T   H H >   3 TS+    0    0  -64.9  -19.3  171.6   71.6 122.7  38.9    0  0.0  227 -2.2    0  0.0    0  0.0 16 73
  224 A 224    SER S   H H 4   3 TS+    0    0  -62.1  -26.7 -179.5   46.1  98.4  41.9    0  0.0    0  0.0    0  0.0    0  0.0 14 78
  225 A 225    MET M   H H >   < TS+    0    0  -87.3  -30.0  177.6   51.6 110.5  41.0  222 -1.6  229 -0.6    0  0.0    0  0.0 18 79
  226 A 226    ALA A   H H X   > TS+    0    0  -70.5  -41.4 -177.3   63.9 100.9  26.7  222 -1.2  230 -1.5    0  0.0  229 -0.7 17 84
  227 A 227    THR T   H H X   3 TS+    0    0  -52.0  -51.6 -178.8   49.0  99.9  25.4  223 -2.2  231 -2.6    0  0.0    0  0.0 18 87
  228 A 228    PRO P   H H >   3 TS+    0    0  -68.0  -22.6  172.0   61.1 103.8  41.4    0  0.0  232 -2.5    0  0.0    0  0.0 15 91
  229 A 229    HIS H   H H X   < TS+    0    0  -62.4  -43.5  179.0   41.0 110.9  21.9  226 -0.7  233 -2.1  225 -0.6    0  0.0 16 94
  230 A 230    VAL V   H H X     TS+    0    0  -69.1  -42.2  177.3   50.8 114.8  26.2  226 -1.5  234 -2.8    0  0.0    0  0.0 12 89
  231 A 231    ALA A   H H X     TS+    0    0  -59.4  -46.5  178.2   45.1 113.8  20.1  227 -2.6  235 -2.3    0  0.0    0  0.0 16 93
  232 A 232    GLY G   H H X     TS+    0    0  -64.2  -40.0  177.1   52.8 111.5  26.7  228 -2.5  236 -2.5    0  0.0    0  0.0 16 93
  233 A 233    LEU L   H H X     TS+    0    0  -60.6  -43.9  177.9   50.8 108.6  22.1  229 -2.1  237 -2.7    0  0.0    0  0.0 13 94
  234 A 234    ALA A   H H X     TS+    0    0  -58.0  -48.0 -179.6   48.6 110.4  20.1  230 -2.8  238 -2.6    0  0.0    0  0.0 14 86
  235 A 235    ALA A   H H X     TS+    0    0  -57.9  -45.3  177.1   49.9 112.1  22.8  231 -2.3  239 -2.6    0  0.0    0  0.0 18 71
  236 A 236    TYR Y   H H X     TS+    0    0  -57.2  -46.2 -178.7   45.0 113.3  23.1  232 -2.5  240 -1.6    0  0.0    0  0.0 16 69
  237 A 237    LEU L   H H <    >TS+    0    0  -71.6  -33.6  175.9   53.3 111.2  31.3  233 -2.7  242 -2.1    0  0.0  243 -0.7 13 64
  238 A 238    MET M   H H <   >5TS+    0    0  -67.0  -42.1  173.9   51.5 107.3  22.3  234 -2.6  241 -1.4    0  0.0    0  0.0 16 56
  239 A 239    THR T   H H <   35TS+    0    0  -59.6  -39.1  178.6   53.2 107.8  27.3  235 -2.6    0  0.0    0  0.0    0  0.0 15 47
  240 A 240    LEU L   T h <   35TS-    0    0  -71.5  -10.9 -179.5 -121.7 114.0  55.5  236 -1.6    0  0.0    0  0.0    0  0.0  9 43
  241 A 241    GLY G   T T     <5TS+    0    0   81.4   12.5 -176.3  122.7  78.2  53.4  238 -1.4    0  0.0    0  0.0    0  0.0  8 33
  242 A 242    LYS K   S t           T -    0    0 -129.4  171.4  178.2  -95.9  38.1 143.3    0  0.0  248 -1.9    0  0.0    0  0.0 10 46
  245 A 245    ALA A   T T 4     TS+    0    0  -59.5  -38.4 -178.8   48.7 124.3  28.5    0  0.0    0  0.0    0  0.0    0  0.0 15 56
  246 A 246    ALA A   T T 4     TS+    0    0  -69.9  -29.9 -170.4   30.2 123.5  37.1    0  0.0    0  0.0    0  0.0    0  0.0 10 40
  247 A 247    SER S   T h >     TS+    0    0 -112.0   -1.9 -171.6   96.5  89.3  62.9    0  0.0  251 -2.4    0  0.0    0  0.0  8 44
  248 A 248    ALA A   H H X     TS+    0    0  -66.2  -40.4  179.9   51.4  83.4  32.2  244 -1.9  252 -2.8    0  0.0    0  0.0 13 57
  249 A 249    CYS C   H H >     TS+    0    0  -60.1  -45.2  179.6   45.4 113.8  17.5    0  0.0  253 -2.5    0  0.0    0  0.0 12 64
  250 A 250    ARG R   H H >     TS+    0    0  -63.4  -42.3  177.2   50.5 113.1  26.8    0  0.0  254 -2.8    0  0.0    0  0.0  8 46
  251 A 251    TYR Y   H H X     TS+    0    0  -61.5  -43.9  177.4   51.0 109.2  25.2  247 -2.4  255 -1.9    0  0.0    0  0.0  9 44
  252 A 252    ILE I   H H X     TS+    0    0  -61.0  -43.6  175.6   46.9 112.4  22.6  248 -2.8  256 -0.7    0  0.0    0  0.0 12 58
  253 A 253    ALA A   H H <   > TS+    0    0  -63.1  -42.3 -179.9   52.4 111.0  20.7  249 -2.5  256 -0.9    0  0.0    0  0.0 12 50
  254 A 254    ASP D   H H <   3 TS+    0    0  -58.7  -39.1 -172.0   35.9 118.7  35.3  250 -2.8    0  0.0    0  0.0    0  0.0  6 32
  255 A 255    THR T   H H <   3 TS+    0    0 -102.4    7.1 -178.2  118.8  93.2  69.7  251 -1.9    0  0.0    0  0.0    0  0.0 10 40
  256 A 256    ALA A   S h <   < TS-    0    0  -69.6  160.9  165.1  -94.8  77.5  99.8  253 -0.9    0  0.0  252 -0.7    0  0.0 11 47
  257 A 257    ASN N   E E  EJ     -  272    0  -70.1  125.9 -175.8 -146.7  51.0 132.8  272 -2.6  272 -2.3    0  0.0    0  0.0 10 45
  258 A 258    LYS K   E E  EJ     +  271    0 -107.3  131.7  176.5    1.9  62.9 147.4    0  0.0    0  0.0    0  0.0    0  0.0  7 41
  259 A 259    GLY G   S e        S+    0    0   77.2   12.6 -179.4  116.6  88.9  53.0  270 -2.5    0  0.0    0  0.0    0  0.0  6 34
  260 A 260    ASP D               +    0    0  -82.1  -24.1 -172.1   86.6  51.3  51.8    0  0.0    0  0.0    0  0.0    0  0.0  9 41
  261 A 261    LEU L               -    0    0  -88.8  148.3  175.7 -145.2  62.4 127.9    0  0.0    0  0.0    0  0.0    0  0.0 12 47
  262 A 262    SER S   B B   c    S+  188    0 -104.5  161.1 -178.9   31.4  76.3 133.6  187 -2.3  189 -2.5    0  0.0    0  0.0  7 36
  263 A 263    ASN N   S S        S+    0    0   59.6   38.4  174.5  150.9  74.8  36.8    0  0.0    0  0.0    0  0.0    0  0.0  6 34
  264 A 264    ILE I               -    0    0  -94.1  117.0  179.3 -126.7  46.5 149.0    0  0.0    0  0.0    0  0.0    0  0.0 10 43
  265 A 265    PRO P     t     > T -    0    0  -64.8  144.2  178.2  -92.3  33.9 109.9    0  0.0  268 -2.3    0  0.0    0  0.0  7 34
  266 A 266    PHE F   T T     3 TS+    0    0  -53.6  135.4 -179.5   35.0 117.0 108.3    0  0.0    0  0.0    0  0.0    0  0.0  4 22
  267 A 267    GLY G   T T     3 TS+    0    0   97.5   -9.1  173.8  102.5  95.6  73.6    0  0.0    0  0.0    0  0.0    0  0.0  6 27
  268 A 268    THR T   S t     < TS-    0    0 -102.1  139.9  177.8 -102.9  82.2 150.8  265 -2.3    0  0.0    0  0.0    0  0.0 11 44
  269 A 269    VAL V               -    0    0  -59.4  142.1  171.9 -149.1  18.2 105.5    0  0.0  271 -0.7    0  0.0    0  0.0 10 47
  270 A 270    ASN N     e         +    0    0 -109.0   74.6 -172.0  131.1  53.1 136.0    0  0.0  259 -2.5    0  0.0    0  0.0 11 46
  271 A 271    LEU L   E E  EJ     -  258    0 -136.0  126.7 -176.6 -165.8  38.6 176.5  269 -0.7  202 -1.9    0  0.0    0  0.0 14 62
  272 A 272    LEU L   E E  EJd    -  257  202 -121.5  125.3 -176.7 -103.2  34.9 166.0  257 -2.3  257 -2.6    0  0.0    0  0.0 14 69
  273 A 273    ALA A               +    0    0  -51.7  133.4 -173.8  175.9  46.1  99.9  202 -2.8    0  0.0    0  0.0    0  0.0 15 74
  274 A 274    TYR Y               -    0    0 -148.2  133.0 -176.0 -151.3  31.6 177.1    0  0.0    0  0.0    0  0.0    0  0.0 13 65
  275 A 275    ASN N               -    0    0  -84.4  -10.1 -179.5 -145.7  24.3  54.5   13 -3.0    0  0.0    0  0.0    0  0.0 11 64
  276 A 276    ASN N               -    0    0   47.6   40.0 -178.9 -176.5  29.5  33.8    0  0.0    0  0.0    0  0.0    0  0.0  7 45
  277 A 277    TYR Y               -    0    0  -73.4  129.7  177.5 -172.7  12.6 118.7    0  0.0    0  0.0    0  0.0    0  0.0  8 41
  278 A 278    GLN Q                    0    0 -122.9  106.6 -179.0  999.9 999.9 165.3    0  0.0    0  0.0    0  0.0    0  0.0  3 23
  279 A 279    ALA A                    0    0  -59.7  999.9  999.9  999.9 999.9 104.1    0  0.0    0  0.0    0  0.0    0  0.0  3 18
 
 1ic6A.pdb                                                   
 1IC6  HYDROLASE  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand   EETT  HHHHHHT SSTT   EE  TTTTTTEEEEEEES   TT GGGTT EEEEEESSS SS SSSHHHHHHHHHH TTT SSTT EEEEEE S TTS  Kabs/Sand
 chirality   --++--+++++++-+-++-+--+--+--+++-----+-----++-++--+++-++--+-+-+-++-+++++++++-+-+++-+-++------++--+-+  chirality
     bends     SS  SSSSSSS SSSS       SS S S      SS   S  SSS S       SSS SS SSSSSSSSSSSSS SSS SSSS        S SSS  bends    
     turns    TTTTTTTTTTTTT TTTT     TTTTTTTT         TTTTTTTTTT               TTTTTTTTTTTTTTTT TTTT        TTTT  turns    
   5-turns                                                                                                        5-turns  
   3-turns    >33<>33<>>3<< >33<     >3><><3<         >33X>3X<3<                                >33<        >33<  3-turns  
  bridge-2                                   cccccc                                                  ddddd        bridge-2 
  bridge-1   AA                   AA        bbbbb               ddd*dd                              cccccc        bridge-1 
    sheets   AA                   AA        BBBBBBB             BBBBBB                              BBBBBB        sheets   
   4-turns        >>>><<<<                               >444<                 >>>>XXXX<<5555<                                                 5-turns  
   3-turns    >33<         >>><<< >33<                      >33<            >>3<< >33X33<      >33<  >33<  >33<   3-turns  
  bridge-2                             eeee                        ggg                     hhhh                   bridge-2 
  bridge-1                           bbbbb    FF                 eeee       a   FF       ggg  B    cB     a       bridge-1 
    sheets                           BBBBBB   CC                 BBBBB          CC       BBBBBB                   sheets   
   4-turns    >>>>XXXXXXXX<<<<                   >>>>XXXXXX444<                             4-turns  
   summary    hHHHHHHHHHHHHHHhGGg tTTEEEEEE   EEehHHHHHHHHHHHHhTtEEEEEe SSSSBTTeEETTTtTTtEEEEEEtTTtBBtTTt BtTTt   summary  
  sequence  SGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLD  sequence 
                   110       120       130       140       150       160       170       180       190       200
 
    author                                                                                   author   
 Kabs/Sand  EEEE SSEEEEETTTEEEEE SHHHHHHHHHHHHHHHHHTTS  TTTHHHHHHHHSEES  BS  TTS  EE         Kabs/Sand
 chirality  ---++-+-+---+-+-+-+-+-+++++++++++++++++-+---+++++++++++--+++-++--++--+--+----    chirality
     bends       SS     SSS      SSSSSSSSSSSSSSSSSSSSS  SSSSSSSSSSSS  S  SS  SSS             bends    
     turns             TTTTT     TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT        TTTT             turns    
   5-turns                                      >5555<                                       5-turns  
   3-turns                       >33<>33<        >33<           >33<        >33<             3-turns  
  bridge-2   d                                                                     d         bridge-2 
  bridge-1  hhhh   IIIII   IIIII                                    JJ   c        JJ         bridge-1 
    sheets  BBBB   DDDDD   DDDDD                                    EE            EE         sheets   
   4-turns             >444<     >>4>XX>XXXXXXXX<<<<   >44>X>>XX<<<<                         4-turns  
   summary  EEEEeSSEEEEETTTEEEEE hHHHHHHHHHHHHHHHHHhTt tTThHHHHHHHHhEEe  BS tTTt eEE         summary  
  sequence  IFGPGTDILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA  sequence 
                   210       220       230       240       250       260       270