Secondary structure calculation program - copyright by David Keith Smith, 1989
 1e0wA.pdb                                                   
 1E0W  GLYCOSIDE HYDROLASE FAMILY 10  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  302
             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                    0    0  999.9  150.0  179.1  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  4 20
    2 A   2    GLU E               -    0    0 -112.7  159.5 -173.6 -142.4 999.9 137.4    0  0.0    0  0.0    0  0.0    0  0.0  7 29
    3 A   3    SER S   S S        S+    0    0 -105.8    0.0  176.8   57.4  78.0  65.5    0  0.0    0  0.0    0  0.0    0  0.0  7 28
    4 A   4    THR T   S h >     TS-    0    0 -128.7  156.0 -175.8 -119.7  80.8 157.2    0  0.0    8 -2.2    0  0.0    0  0.0 10 43
    5 A   5    LEU L   H H >     TS+    0    0  -61.3  -49.9 -177.4   46.5 110.0  23.4    0  0.0    9 -2.5    0  0.0    0  0.0 13 56
    6 A   6    GLY G   H H >     TS+    0    0  -61.7  -45.2  179.6   47.0 114.1  22.9   37 -2.4   10 -2.2    0  0.0    0  0.0 12 50
    7 A   7    ALA A   H H >     TS+    0    0  -64.0  -39.7  178.3   51.1 112.1  28.1    0  0.0   11 -1.0    0  0.0    0  0.0 12 40
    8 A   8    ALA A   H H <     TS+    0    0  -65.2  -41.8  176.4   47.4 111.5  24.8    4 -2.2    0  0.0    0  0.0    0  0.0 14 40
    9 A   9    ALA A   H H <   >>TS+    0    0  -64.0  -38.3 -178.5   61.3 104.4  26.7    5 -2.5   14 -2.0    0  0.0   12 -1.9 14 52
   10 A  10    ALA A   H H <   >5TS+    0    0  -63.0  -25.4  175.5   69.5  89.8  37.0    6 -2.2   13 -2.0    0  0.0    0  0.0  9 39
   11 A  11    GLN Q   T h <   35TS+    0    0  -63.8  -21.9  174.8   42.9 104.3  45.9    7 -1.0    0  0.0    0  0.0    0  0.0  7 30
   12 A  12  A SER S   T T     <5TS-    0    0 -105.2   17.1 -179.2 -102.6 125.3  83.0    9 -1.9    0  0.0    0  0.0    0  0.0  7 35
   13 A  13    GLY G   T T     <5TS+    0    0   70.4   19.6 -177.1  110.4  89.0  46.4   10 -2.0    0  0.0    0  0.0    0  0.0  7 33
   14 A  14    ARG R     t       T -    0    0 -114.3  131.1 -176.8 -140.7  15.8 162.7    0  0.0   24 -1.8    0  0.0    0  0.0 11 52
   22 A  22    SER S   G G     > TS+    0    0  -60.4  -33.6  179.9   62.1  99.5  35.1    0  0.0   25 -1.3    0  0.0    0  0.0  9 38
   23 A  23    GLY G   G G     3 TS+    0    0  -68.4  -12.5 -179.5   54.0 101.4  54.1    0  0.0    0  0.0    0  0.0    0  0.0  5 31
   24 A  24    ARG R   G G     X TS+    0    0  -99.2   -3.0 -175.9   95.3  78.8  63.6   21 -1.8   27 -1.9    0  0.0    0  0.0  8 39
   25 A  25    LEU L   T g     < TS+    0    0  -71.8   -8.8  172.7   62.9  75.2  52.0   22 -1.3    0  0.0    0  0.0    0  0.0  9 38
   26 A  26    SER S   T T     3 TS+    0    0  -87.4   -5.3  179.4   95.1  81.7  58.9    0  0.0   28 -0.7    0  0.0    0  0.0  6 20
   27 A  27    ASP D     h >   < T -    0    0  -89.1  111.2 -175.2 -160.6  62.7 142.1   24 -1.9   31 -2.5    0  0.0    0  0.0  7 24
   28 A  28    SER S   H H >     TS+    0    0  -67.8  -26.5  173.9   54.4  88.9  41.3   26 -0.7   32 -1.7    0  0.0    0  0.0  7 24
   29 A  29    THR T   H H >     TS+    0    0  -67.8  -48.0  178.1   46.2 111.5  21.0    0  0.0   33 -2.2    0  0.0    0  0.0  7 29
   30 A  30    TYR Y   H H >     TS+    0    0  -58.1  -51.6 -176.1   44.7 115.2  21.2    0  0.0   34 -2.4    0  0.0    0  0.0 12 42
   31 A  31    THR T   H H X     TS+    0    0  -68.0  -34.6 -178.3   47.9 114.3  32.4   27 -2.5   35 -1.9    0  0.0    0  0.0 10 44
   32 A  32    SER S   H H X     TS+    0    0  -75.1  -39.0  176.2   43.5 115.6  25.2   28 -1.7   36 -1.9    0  0.0    0  0.0  8 33
   33 A  33    ILE I   H H X     TS+    0    0  -68.2  -46.4  178.2   46.5 116.8  19.6   29 -2.2   37 -2.3    0  0.0    0  0.0  9 51
   34 A  34    ALA A   H H X     TS+    0    0  -61.3  -41.8  178.4   52.2 112.3  26.5   30 -2.4   38 -1.5    0  0.0    0  0.0 10 62
   35 A  35    GLY G   H H <     TS+    0    0  -60.0  -43.2 -178.5   41.7 114.7  24.1   31 -1.9    0  0.0    0  0.0    0  0.0  8 48
   36 A  36    ARG R   H H <     TS+    0    0  -70.6  -42.4 -164.5   38.3 119.7  29.9   32 -1.9    0  0.0    0  0.0    0  0.0  7 43
   37 A  37    GLU E   H H <     TS+    0    0  -92.6  -26.0 -169.2   59.7 102.6  45.5   33 -2.3    6 -2.4    0  0.0    0  0.0 10 52
   38 A  38    PHE F     h <     T -    0    0 -117.1  149.1  177.7 -173.3  40.4 148.8   34 -1.5    0  0.0    0  0.0    0  0.0 16 58
   39 A  39    ASN N   S e        S+    0    0 -117.7    9.8  179.5   52.7  76.4  73.9   16 -2.1   77 -1.8    0  0.0    0  0.0 12 56
   40 A  40    MET M   E E  Abc    -   17   77 -146.1  140.7 -179.5 -162.4  64.7 173.7   16 -0.6   18 -1.8    0  0.0    0  0.0 14 61
   41 A  41  A VAL V   E E  Abc    -   18   78 -128.3  141.3  166.0 -169.9   9.1 170.6   77 -2.1   79 -2.5    0  0.0    0  0.0 15 67
   42 A  42    THR T   E E  Abc    -   19   79 -118.2  134.2  172.7 -123.1  30.7 172.5   18 -1.9   20 -2.5    0  0.0    0  0.0 12 67
   43 A  43    ALA A   E E  Ab     -   20    0  -73.8  128.7 -175.2 -146.2  18.1 129.1   79 -0.6    0  0.0    0  0.0    0  0.0 15 62
   44 A  44    GLU E   S e        S-    0    0  -65.4  -41.6 -177.3  -17.4  81.6  26.7   20 -2.5    0  0.0    0  0.0    0  0.0  9 55
   45 A  45    ASN N   S t     > TS+    0    0 -135.4  -18.0 -164.4   90.2 111.5  57.6    0  0.0   48 -1.4    0  0.0    0  0.0  8 50
   46 A  46    GLU E   T T     3 TS+    0    0  -75.8  -14.0  178.3   47.7  89.5  54.8    0  0.0    0  0.0    0  0.0    0  0.0 12 48
   47 A  47  A MET M   T T     3 TS+    0    0 -109.1   12.3  173.7  114.9  85.3  75.5    0  0.0    0  0.0    0  0.0    0  0.0 12 58
   48 A  48    LYS K   S h >   < TS-    0    0  -71.5  170.2 -172.3 -100.9  82.3 100.0   45 -1.4   52 -1.8    0  0.0    0  0.0 11 54
   49 A  49    ILE I   H H >     TS+    0    0  -65.7  -45.1  179.9   49.8 119.3  23.7    0  0.0   53 -2.2    0  0.0    0  0.0 14 54
   50 A  50    ASP D   H H 4     TS+    0    0  -61.4  -37.9 -177.7   46.9 113.1  29.1   88 -1.2    0  0.0    0  0.0    0  0.0  9 42
   51 A  51    ALA A   H H 4     TS+    0    0  -74.9  -33.2 -174.2   38.7 118.8  33.6    0  0.0    0  0.0    0  0.0    0  0.0 12 44
   52 A  52    THR T   H H <     TS+    0    0  -95.2  -24.2  179.8   26.6 127.6  44.7   48 -1.8   60 -2.2    0  0.0    0  0.0 13 50
   53 A  53    GLU E     h <     T +    0    0 -138.8   73.4 -174.8  163.7  63.1 125.6   49 -2.2    0  0.0    0  0.0    0  0.0 13 44
   54 A  54    PRO P   S S        S+    0    0  -67.1  -25.7  173.2   25.6  76.3  40.2    0  0.0    0  0.0    0  0.0    0  0.0 11 34
   55 A  55    GLN Q   B B   A > TS-   58    0 -131.4  148.5 -176.1  -82.8 108.9 166.4   58 -0.9   58 -2.4    0  0.0    0  0.0  8 29
   56 A  56    ARG R   T T     3 TS+    0    0  -58.8  124.6  179.3    1.1 114.9 106.1    0  0.0    0  0.0    0  0.0    0  0.0  8 32
   57 A  57    GLY G   T T     3 TS+    0    0   79.6    1.4 -178.5  107.8 105.9  62.3    0  0.0   59 -0.6    0  0.0    0  0.0  6 30
   58 A  58    GLN Q   B B   A < T -   55    0 -115.0   99.1 -177.2 -163.8  54.3 155.2   55 -2.4   55 -0.9    0  0.0    0  0.0  7 26
   59 A  59    PHE F               -    0    0  -88.3  144.9  178.8 -167.0   8.9 126.4   57 -0.6    0  0.0    0  0.0    0  0.0  9 36
   60 A  60    ASN N               +    0    0 -132.9  108.4 -178.5  165.0  16.4 160.9   52 -2.2    0  0.0    0  0.0    0  0.0  9 32
   61 A  61    PHE F     h >     T +    0    0 -106.2   11.2 -174.9  109.1  43.7  76.8    0  0.0   65 -3.0    0  0.0    0  0.0  8 40
   62 A  62    SER S   H H >     TS+    0    0  -57.8  -54.8 -178.8   33.1  86.9  19.6    0  0.0   66 -1.4    0  0.0    0  0.0  6 29
   63 A  63    SER S   H H >     TS+    0    0  -71.2  -35.8  176.6   53.8 118.8  26.6    0  0.0   67 -1.6    0  0.0    0  0.0 10 37
   64 A  64    ALA A   H H >     TS+    0    0  -60.8  -45.3  179.8   48.7 109.1  23.1    0  0.0   68 -2.5    0  0.0    0  0.0 11 48
   65 A  65    ASP D   H H X     TS+    0    0  -68.4  -28.2  174.8   60.9 103.8  36.0   61 -3.0   69 -2.9    0  0.0    0  0.0  8 45
   66 A  66    ARG R   H H X     TS+    0    0  -60.8  -46.1 -180.0   39.8 111.3  22.1   62 -1.4   70 -1.8    0  0.0    0  0.0  9 37
   67 A  67    VAL V   H H X     TS+    0    0  -68.7  -47.0  178.3   50.1 116.3  22.4   63 -1.6   71 -2.3    0  0.0    0  0.0 13 51
   68 A  68    TYR Y   H H X     TS+    0    0  -55.1  -50.0 -179.1   46.9 112.5  19.9   64 -2.5   72 -2.4    0  0.0    0  0.0 10 54
   69 A  69    ASN N   H H X     TS+    0    0  -63.3  -42.2  176.6   53.0 109.8  28.4   65 -2.9   73 -2.4    0  0.0    0  0.0  8 36
   70 A  70    TRP W   H H X     TS+    0    0  -57.0  -44.7 -179.1   49.7 110.5  21.5   66 -1.8   74 -1.3    0  0.0    0  0.0  8 47
   71 A  71    ALA A   H H <   >>TS+    0    0  -60.3  -51.3 -177.6   43.2 113.0  17.0   67 -2.3   76 -2.6    0  0.0   74 -0.5 13 49
   72 A  72  A VAL V   H H <   >5TS+    0    0  -66.3  -36.0  177.8   54.6 111.4  25.3   68 -2.4   75 -1.6    0  0.0    0  0.0  9 34
   73 A  73    GLN Q   H H <   35TS+    0    0  -65.6  -26.3  179.3   47.2 111.3  38.5   69 -2.4    0  0.0    0  0.0    0  0.0  7 25
   74 A  74    ASN N   T h <   <5TS-    0    0 -102.3   16.1  172.8 -103.3 122.5  79.0   70 -1.3    0  0.0   71 -0.5    0  0.0  7 33
   75 A  75    GLY G   T T     <5TS+    0    0   75.0   23.8  179.5  132.8  75.0  45.8   72 -1.6    0  0.0    0  0.0    0  0.0  7 34
   76 A  76    LYS K     t         > T -    0    0  -65.3  154.5 -177.4 -105.3  33.3 109.1    0  0.0   94 -1.8    0  0.0   93 -1.2 11 38
   91 A  91    GLY G   H H >   3 TS+    0    0  -52.7  -38.8 -178.1   59.4 117.6  31.6    0  0.0   95 -1.2    0  0.0    0  0.0  6 28
   92 A  92    TRP W   H H 4   3 TS+    0    0  -63.0  -33.1 -178.9   45.4 108.2  32.2    0  0.0    0  0.0    0  0.0    0  0.0  8 32
   93 A  93    MET M   H H 4   X TS+    0    0  -79.6  -32.5  176.6   61.6 104.0  33.4   90 -1.2   96 -1.5    0  0.0    0  0.0 10 44
   94 A  94    GLN Q   H H <   3 TS+    0    0  -60.1  -29.3 -179.1   57.0 101.0  34.6   90 -1.8    0  0.0    0  0.0    0  0.0  8 35
   95 A  95    SER S   T h <   3 TS+    0    0  -78.0  -12.3 -177.3   89.0  92.7  56.7   91 -1.2    0  0.0    0  0.0    0  0.0  6 28
   96 A  96    LEU L     t     < T +    0    0  -92.7  152.1  177.0  172.8  49.3 129.4   93 -1.5    0  0.0    0  0.0    0  0.0  9 30
   97 A  97    SER S     h >   > T -    0    0 -143.9  167.4  171.1   -2.3  44.4 156.8    0  0.0  101 -1.4    0  0.0  100 -0.9 11 28
   98 A  98    GLY G   H H >   3 TS-    0    0   56.6 -139.7 -177.3   -5.7 122.2  95.6    0  0.0  102 -2.2    0  0.0    0  0.0  9 25
   99 A  99  A SER S   H H >   3 TS+    0    0  -62.6  -34.0  177.1   56.2 133.8  35.3    0  0.0  103 -2.2    0  0.0    0  0.0  7 25
  100 A 100    ALA A   H H >   < TS+    0    0  -63.7  -42.3  175.3   46.2 109.8  23.2   97 -0.9  104 -1.9    0  0.0    0  0.0  8 25
  101 A 101    LEU L   H H X     TS+    0    0  -64.5  -43.2  178.9   55.1 109.5  25.4   97 -1.4  105 -2.5    0  0.0    0  0.0 12 41
  102 A 102  A ARG R   H H X     TS+    0    0  -57.7  -46.3  178.1   46.7 108.9  21.1   98 -2.2  106 -2.3    0  0.0    0  0.0 12 43
  103 A 103    GLN Q   H H X     TS+    0    0  -64.2  -39.3  178.1   50.6 112.2  25.6   99 -2.2  107 -2.7    0  0.0    0  0.0  8 35
  104 A 104    ALA A   H H X     TS+    0    0  -65.4  -37.5  176.6   51.4 109.5  29.1  100 -1.9  108 -2.1    0  0.0    0  0.0 10 45
  105 A 105    MET M   H H X     TS+    0    0  -60.5  -47.9  179.0   46.0 112.5  20.8  101 -2.5  109 -2.2    0  0.0    0  0.0 10 63
  106 A 106    ILE I   H H X     TS+    0    0  -60.7  -48.2  178.6   49.4 112.7  21.2  102 -2.3  110 -2.5    0  0.0    0  0.0 10 45
  107 A 107    ASP D   H H X     TS+    0    0  -60.2  -41.0  179.0   52.0 110.3  29.0  103 -2.7  111 -2.3    0  0.0    0  0.0  8 42
  108 A 108    HIS H   H H X     TS+    0    0  -61.9  -48.2  177.4   47.0 110.4  19.8  104 -2.1  112 -2.3    0  0.0    0  0.0 12 60
  109 A 109    ILE I   H H X     TS+    0    0  -56.4  -50.3 -177.6   47.8 114.3  20.9  105 -2.2  113 -2.4    0  0.0    0  0.0 13 62
  110 A 110    ASN N   H H X     TS+    0    0  -61.7  -40.8 -178.8   49.0 112.3  25.5  106 -2.5  114 -1.8    0  0.0    0  0.0 11 44
  111 A 111    GLY G   H H X     TS+    0    0  -67.4  -44.5  179.9   41.5 115.2  23.7  107 -2.3  115 -1.2    0  0.0    0  0.0  9 44
  112 A 112    VAL V   H H X     TS+    0    0  -69.5  -46.8 -177.6   48.8 115.8  20.7  108 -2.3  116 -1.1    0  0.0    0  0.0  9 57
  113 A 113    MET M   H H <     TS+    0    0  -65.1  -32.8  177.7   58.0 106.0  29.3  109 -2.4    0  0.0    0  0.0    0  0.0 11 54
  114 A 114    ALA A   H H <   > TS+    0    0  -61.7  -39.2 -178.7   53.7 103.0  26.1  110 -1.8  117 -1.0    0  0.0    0  0.0  9 37
  115 A 115    HIS H   H H <   3 TS+    0    0  -65.1  -30.9 -176.9   33.2 119.7  34.7  111 -1.2    0  0.0    0  0.0    0  0.0  6 40
  116 A 116    TYR Y   T h X   > TS+    0    0 -111.4   18.8 -175.0  155.8  81.6  83.4  112 -1.1  119 -2.5    0  0.0  120 -0.7  8 53
  117 A 117    LYS K   T T 4   < TS-    0    0  -58.2  125.7 -178.8   -0.1  77.3 104.3  114 -1.0    0  0.0    0  0.0    0  0.0  9 32
  118 A 118    GLY G   T T 4   3 TS+    0    0   76.6    4.6 -173.3   85.9 117.9  64.3    0  0.0    0  0.0    0  0.0    0  0.0  8 29
  119 A 119    LYS K   T T 4   < TS+    0    0 -111.6  -15.6 -174.7   64.8  73.5  54.7  116 -2.5    0  0.0    0  0.0    0  0.0  6 38
  120 A 120    ILE I     t <     T -    0    0 -119.2  122.9 -171.9 -159.6  60.5 162.5  116 -0.7    0  0.0    0  0.0    0  0.0 12 47
  121 A 121  A VAL V   S e        S+    0    0  -77.0  -33.2  179.2   17.7  75.6  34.6   78 -1.4  166 -2.3    0  0.0    0  0.0 12 53
  122 A 122    GLN Q   E E  Ade    -   79  166 -137.1  143.3  169.8 -159.3  64.5 174.2   78 -0.8   80 -3.1    0  0.0    0  0.0 11 63
  123 A 123    TRP W   E E  Ade    -   80  167 -120.6  135.9  163.5 -140.4  20.0 170.9  166 -2.5  168 -3.1    0  0.0  125 -1.3 14 75
  124 A 124    ASP D   E E  Ade    +   81  168  -81.3   91.3 -175.3  175.8  33.1 140.8   80 -2.8   83 -1.8    0  0.0   82 -0.6 15 67
  125 A 125    VAL V   E E  A**    +    0    0  -68.5  -51.2  179.2   20.8  65.1  19.8  168 -2.1   84 -0.9  123 -1.3    0  0.0 15 67
  126 A 126    VAL V   E E  Ade   S-   84  169 -122.2  136.2 -178.5 -163.7  75.0 169.9  168 -0.9  170 -2.1    0  0.0    0  0.0 15 69
  127 A 127    ASN N   E E  A e    -    0  170 -123.0  131.9  164.7  -12.0  58.6 165.2   84 -1.9    0  0.0    0  0.0    0  0.0 12 63
  128 A 128    GLU E     e         +    0    0   58.9   48.4 -179.5  153.9  66.1  35.0  170 -2.4    0  0.0    0  0.0    0  0.0 10 53
  129 A 129    ALA A               +    0    0  -83.9  -16.2 -178.9   80.2  48.1  51.4    0  0.0  139 -2.4    0  0.0    0  0.0 10 58
  130 A 130    PHE F   B B   B    S-  138    0  -96.4  148.5  175.4 -121.7  76.8 134.1    0  0.0    0  0.0    0  0.0    0  0.0 12 49
  131 A 131    ALA A               -    0    0  -76.0  155.0  170.5 -114.7  27.3 118.6  137 -2.9    0  0.0    0  0.0    0  0.0 11 35
  132 A 132    ASP D   S S        S+    0    0  -81.4  160.2  177.5   43.9  73.9 117.6    0  0.0    0  0.0    0  0.0    0  0.0  8 31
  133 A 133    GLY G   S S        S-    0    0  104.5 -163.4 -171.7  -45.3 104.0 126.2    0  0.0    0  0.0    0  0.0    0  0.0  7 28
  134 A 134  A SER S   S S        S+    0    0  -89.7   -6.4 -173.2   76.0 110.2  59.5    0  0.0    0  0.0    0  0.0    0  0.0  7 22
  135 A 135    SER S   S S        S-    0    0  -80.8  -29.9 -172.5 -142.7  77.5  41.3    0  0.0    0  0.0    0  0.0    0  0.0  8 22
  136 A 136    GLY G               +    0    0   72.4   15.1 -179.3  148.5  51.4  48.6    0  0.0    0  0.0    0  0.0    0  0.0 12 31
  137 A 137    ALA A               -    0    0  -76.8  165.6  167.8  -98.1  54.2 107.2    0  0.0  131 -2.9    0  0.0    0  0.0  8 31
  138 A 138    ARG R   B B   B     -  130    0  -74.2  145.9  172.5 -104.6  44.7 123.4    0  0.0    0  0.0    0  0.0    0  0.0  8 43
  139 A 139    ARG R               -    0    0  -65.4  141.6  174.7 -108.2  37.7 115.8  129 -2.4    0  0.0    0  0.0    0  0.0  9 38
  140 A 140    ASP D               +    0    0  -74.9  131.9  176.7  131.4  60.3 126.4    0  0.0    0  0.0    0  0.0    0  0.0  7 30
  141 A 141    SER S   S h >     TS-    0    0 -164.4  167.8  172.8  -95.8  71.2 162.4    0  0.0  145 -2.5    0  0.0    0  0.0  7 38
  142 A 142    ASN N   H H >     TS+    0    0  -58.3  -39.5  176.6   54.4 125.2  26.0    0  0.0  146 -1.0    0  0.0    0  0.0 11 39
  143 A 143    LEU L   H H 4   > TS+    0    0  -59.2  -50.2 -179.9   44.5 109.9  19.5    0  0.0  146 -0.8    0  0.0    0  0.0 11 50
  144 A 144    GLN Q   H H 4   > TS+    0    0  -65.5  -36.1  179.1   58.0 108.1  28.2    0  0.0  147 -1.6    0  0.0    0  0.0 11 37
  145 A 145  A ARG R   H H <   3 TS+    0    0  -67.1  -20.0  176.3   67.6  94.2  43.4  141 -2.5    0  0.0    0  0.0    0  0.0 10 32
  146 A 146    SER S   T h <   < TS-    0    0  -70.5  -19.3  175.9  -65.7 123.8  47.5  142 -1.0    0  0.0  143 -0.8    0  0.0 12 34
  147 A 147    GLY G     t     X T -    0    0  143.1  155.0 -178.0  -93.9  39.9 118.3  144 -1.6  150 -1.8    0  0.0    0  0.0  7 28
  148 A 148    ASN N   T T     > TS+    0    0  -63.7  -24.3  179.9   66.5 116.1  41.6    0  0.0  151 -0.6    0  0.0    0  0.0  7 35
  149 A 149    ASP D   T h >   3 T +    0    0  -77.1    3.0 -175.6  100.6  68.2  67.9    0  0.0  153 -2.3    0  0.0    0  0.0  6 38
  150 A 150    TRP W   H H >   < TS+    0    0  -61.2  -36.6 -177.8   50.6  81.2  29.8  147 -1.8  154 -2.0    0  0.0    0  0.0 11 49
  151 A 151    ILE I   H H >   < TS+    0    0  -66.5  -50.2  177.8   47.8 110.8  18.1  148 -0.6  155 -2.1    0  0.0    0  0.0  8 62
  152 A 152    GLU E   H H >     TS+    0    0  -56.2  -45.1  179.9   53.1 110.5  26.4    0  0.0  156 -2.6    0  0.0    0  0.0  9 48
  153 A 153    VAL V   H H X     TS+    0    0  -59.2  -42.9  178.0   51.7 107.1  23.2  149 -2.3  157 -2.3    0  0.0    0  0.0  8 47
  154 A 154    ALA A   H H X     TS+    0    0  -60.4  -44.7  177.8   46.4 111.9  21.5  150 -2.0  158 -2.3    0  0.0    0  0.0 14 59
  155 A 155    PHE F   H H X     TS+    0    0  -64.1  -43.7  178.7   49.7 111.8  24.1  151 -2.1  159 -2.3    0  0.0    0  0.0 14 56
  156 A 156    ARG R   H H X     TS+    0    0  -62.0  -39.2  178.6   49.2 112.4  23.9  152 -2.6  160 -1.5    0  0.0    0  0.0 10 44
  157 A 157    THR T   H H X     TS+    0    0  -63.7  -46.2 -178.3   49.1 111.1  20.8  153 -2.3  161 -1.7    0  0.0    0  0.0 11 45
  158 A 158    ALA A   H H X     TS+    0    0  -63.9  -41.1  180.0   55.9 106.0  27.7  154 -2.3  162 -1.9    0  0.0    0  0.0 14 54
  159 A 159    ARG R   H H <     TS+    0    0  -58.5  -43.2 -178.9   45.1 110.6  25.4  155 -2.3    0  0.0    0  0.0    0  0.0 11 44
  160 A 160    ALA A   H H <     TS+    0    0  -71.3  -31.7 -178.5   56.2 109.3  34.6  156 -1.5    0  0.0    0  0.0    0  0.0  7 34
  161 A 161    ALA A   H H <     TS+    0    0  -70.5  -38.7  178.2    4.7 129.9  29.6  157 -1.7    0  0.0    0  0.0    0  0.0 10 38
  162 A 162    ASP D     h <   > T -    0    0 -148.7   91.0 -179.6 -176.5  61.3 131.5  158 -1.9  165 -1.5    0  0.0    0  0.0 11 40
  163 A 163    PRO P   T T     3 TS+    0    0  -63.6  -12.5  179.8   64.6  81.7  49.9    0  0.0    0  0.0    0  0.0    0  0.0  7 32
  164 A 164  A SER S   T T     3 TS+    0    0  -85.1  -16.7 -177.7   89.8  84.8  48.8    0  0.0    0  0.0    0  0.0    0  0.0  6 33
  165 A 165    ALA A   S t     < TS-    0    0  -84.5  143.8  170.1 -124.0  77.2 122.6  162 -1.5    0  0.0    0  0.0    0  0.0 11 45
  166 A 166    LYS K   E E  Ae     -  122    0  -81.3  128.1 -174.9 -141.1  28.9 140.4  121 -2.3  123 -2.5    0  0.0  168 -0.6 10 52
  167 A 167    LEU L   E E  Ae     -  123    0 -101.5  116.4 -176.9 -170.1  21.7 146.3    0  0.0  200 -2.2    0  0.0  201 -1.7 15 61
  168 A 168    CYS C   E E  Aef    -  124  201 -109.9  146.6  162.2 -147.0  23.9 146.3  123 -3.1  125 -2.1  166 -0.6  126 -0.9 14 70
  169 A 169    TYR Y   E E  Aef    -  126  202  -95.2  133.7 -175.5 -162.5  29.6 158.6  201 -1.7  203 -3.1    0  0.0    0  0.0 12 72
  170 A 170    ASN N   E E  Aef    +  127  203 -126.9  136.1  179.3  146.6  19.6 163.1  126 -2.1  128 -2.4    0  0.0    0  0.0 14 64
  171 A 171    ASP D   E E  A f    -    0  204 -157.8  170.8  179.1 -128.4  32.2 164.1  203 -1.8  205 -2.8    0  0.0    0  0.0 12 61
  172 A 172    TYR Y   S S        S+    0    0 -122.7  163.5 -177.5   37.6  84.4 141.3    0  0.0    0  0.0    0  0.0    0  0.0 10 56
  173 A 173    ASN N   S S        S+    0    0   62.0   32.3 -179.4  105.8  87.5  36.8    0  0.0    0  0.0    0  0.0    0  0.0 12 54
  174 A 174    VAL V               +    0    0 -125.3   19.8 -176.4   90.6  47.7  89.1    0  0.0    0  0.0    0  0.0    0  0.0 11 61
  175 A 175    GLU E               +    0    0  -90.4  -31.0 -179.0   78.9  65.8  40.1    0  0.0  177 -0.6    0  0.0    0  0.0 11 61
  176 A 176    ASN N   S t     > TS-    0    0  -84.9  120.3 -175.5 -145.1  72.9 137.6    0  0.0  179 -1.6    0  0.0    0  0.0 12 45
  177 A 177    TRP W   T T     3 TS+    0    0  -56.5  -29.9 -174.5   55.4  94.4  40.0  175 -0.6    0  0.0    0  0.0    0  0.0 11 36
  178 A 178    THR T   T T     3 TS+    0    0  -84.8  -11.0 -177.2  106.8  82.4  55.0    0  0.0    0  0.0    0  0.0    0  0.0  6 33
  179 A 179    TRP W   S h >   < TS-    0    0  -74.0  144.2  177.3 -130.4  71.7 115.9  176 -1.6  183 -2.0    0  0.0    0  0.0  9 36
  180 A 180    ALA A   H H >     TS+    0    0  -58.0  -37.8 -179.5   55.7 108.4  31.2    0  0.0  184 -2.1    0  0.0    0  0.0 10 30
  181 A 181    LYS K   H H >     TS+    0    0  -63.9  -42.7  177.8   49.7 107.0  22.1    0  0.0  185 -2.0    0  0.0    0  0.0 16 42
  182 A 182    THR T   H H >     TS+    0    0  -59.4  -46.5 -179.7   49.5 111.0  22.6    0  0.0  186 -2.3    0  0.0    0  0.0 13 52
  183 A 183    GLN Q   H H X     TS+    0    0  -66.5  -33.0  174.6   54.6 107.1  30.6  179 -2.0  187 -2.3    0  0.0    0  0.0 11 41
  184 A 184    ALA A   H H X     TS+    0    0  -64.6  -42.3  176.7   46.8 110.4  22.5  180 -2.1  188 -1.8    0  0.0    0  0.0 11 42
  185 A 185    MET M   H H X     TS+    0    0  -64.6  -42.5  177.4   53.0 110.7  27.1  181 -2.0  189 -2.3    0  0.0    0  0.0 10 56
  186 A 186    TYR Y   H H X     TS+    0    0  -57.5  -48.2  179.8   48.3 109.1  20.3  182 -2.3  190 -2.4    0  0.0    0  0.0  9 51
  187 A 187    ASN N   H H X     TS+    0    0  -63.7  -36.2  177.3   52.8 110.1  28.2  183 -2.3  191 -2.1    0  0.0    0  0.0  8 40
  188 A 188    MET M   H H X     TS+    0    0  -63.6  -48.3 -178.5   46.1 110.4  20.9  184 -1.8  192 -2.6    0  0.0    0  0.0  8 50
  189 A 189    VAL V   H H X     TS+    0    0  -63.0  -41.8  177.9   51.6 111.8  21.5  185 -2.3  193 -2.4    0  0.0    0  0.0 10 51
  190 A 190  A ARG R   H H X     TS+    0    0  -59.8  -45.8  177.5   47.6 111.5  21.4  186 -2.4  194 -2.0    0  0.0    0  0.0  9 33
  191 A 191    ASP D   H H X     TS+    0    0  -60.9  -44.6  178.1   53.0 109.9  21.6  187 -2.1  195 -2.1    0  0.0    0  0.0  8 28
  192 A 192    PHE F   H H X    >TS+    0    0  -60.0  -43.4  178.3   49.7 108.6  23.0  188 -2.6  197 -2.2    0  0.0  196 -0.7 12 37
  193 A 193    LYS K   H H <   >5TS+    0    0  -62.3  -42.7 -179.9   50.1 110.3  23.7  189 -2.4  196 -0.7    0  0.0    0  0.0 12 31
  194 A 194    GLN Q   H H <   35TS+    0    0  -60.9  -42.3 -174.2   41.9 116.1  24.3  190 -2.0    0  0.0    0  0.0    0  0.0  7 19
  195 A 195    ARG R   H H <   35TS-    0    0  -90.8    2.3  178.3 -110.2 114.0  68.4  191 -2.1    0  0.0    0  0.0    0  0.0  6 21
  196 A 196    GLY G   T h <   <5T +    0    0   77.7   21.3  175.0  157.7  58.3  43.4  193 -0.7    0  0.0  192 -0.7    0  0.0  6 26
  197 A 197    VAL V     t       T -  212    0 -158.9 -177.7 -174.8  -70.7  69.2 153.4  212 -1.3  212 -0.8    0  0.0    0  0.0  9 36
  210 A 210  A SER S   T T     3 TS+    0    0  -57.7  -39.2  179.2   45.5 130.5  30.3    0  0.0    0  0.0    0  0.0    0  0.0  6 24
  211 A 211    GLY G   T T     3 TS+    0    0  -76.9  -19.6 -179.4   28.3 127.3  46.2    0  0.0    0  0.0    0  0.0    0  0.0  5 22
  212 A 212  A SER S   B B   C < TS-  209    0 -140.0   75.3 -171.5 -174.2  89.0 130.8  209 -0.8  209 -1.3    0  0.0    0  0.0  8 37
  213 A 213    PRO P               -    0    0  -80.8  155.5  172.9  -98.2  29.8 111.8    0  0.0    0  0.0    0  0.0    0  0.0  7 37
  214 A 214    TYR Y               -    0    0  -62.4  142.7  173.0 -167.5  39.3 112.1    0  0.0    0  0.0    0  0.0    0  0.0 10 48
  215 A 215    ASN N     t     > T -    0    0 -130.0  143.7  177.0 -123.0  32.0 169.7    0  0.0  218 -2.3    0  0.0    0  0.0  6 37
  216 A 216  A SER S   T T     > TS+    0    0  -56.6  -23.1  179.7   74.8 107.1  40.8    0  0.0  219 -1.3    0  0.0    0  0.0  5 32
  217 A 217    ASN N   T h >   3 T +    0    0  -72.9    0.9  170.6   92.4  67.1  55.1    0  0.0  221 -2.2    0  0.0    0  0.0  8 34
  218 A 218    PHE F   H H >   < TS+    0    0  -56.4  -37.0  178.9   56.3  82.2  27.1  215 -2.3  222 -2.5    0  0.0    0  0.0 12 50
  219 A 219    ARG R   H H >   < TS+    0    0  -63.5  -39.1  174.8   50.6 105.4  25.5  216 -1.3  223 -2.4    0  0.0    0  0.0 11 44
  220 A 220    THR T   H H >     TS+    0    0  -62.2  -44.7  176.2   52.0 108.9  24.6    0  0.0  224 -2.6    0  0.0    0  0.0  8 36
  221 A 221    THR T   H H X     TS+    0    0  -55.6  -51.2 -178.8   46.6 111.1  18.3  217 -2.2  225 -2.2    0  0.0    0  0.0 11 55
  222 A 222    LEU L   H H X     TS+    0    0  -60.1  -46.4  179.6   46.9 114.4  21.7  218 -2.5  226 -2.4    0  0.0    0  0.0 12 58
  223 A 223    GLN Q   H H X     TS+    0    0  -62.7  -42.1 -177.2   51.0 111.2  27.0  219 -2.4  227 -1.9    0  0.0    0  0.0  9 43
  224 A 224  A ASN N   H H <     TS+    0    0  -69.1  -35.7  173.5   45.9 112.3  27.3  220 -2.6    0  0.0    0  0.0    0  0.0  8 42
  225 A 225    PHE F   H H <   >>TS+    0    0  -69.2  -42.3  178.3   54.3 110.0  21.3  221 -2.2  228 -1.5    0  0.0  230 -0.7 12 53
  226 A 226    ALA A   H H <   >5TS+    0    0  -57.6  -37.1  179.3   61.8 100.3  28.1  222 -2.4  229 -1.9    0  0.0    0  0.0 11 44
  227 A 227    ALA A   T h <   35TS+    0    0  -64.7  -16.9  175.0   65.3  92.5  44.3  223 -1.9    0  0.0    0  0.0    0  0.0  7 30
  228 A 228    LEU L   T T     <5TS-    0    0  -77.6  -11.6 -178.9  -95.7 126.5  52.5  225 -1.5    0  0.0    0  0.0    0  0.0  9 37
  229 A 229    GLY G   T T     <5TS+    0    0  100.3   29.7  174.2  114.8  86.3  42.7  226 -1.9    0  0.0    0  0.0    0  0.0  8 39
  230 A 230    VAL V     t       T -  208    0 -137.6  119.9 -178.4 -110.4  27.9 165.0  280 -1.9  242 -2.7    0  0.0    0  0.0 13 57
  240 A 240    GLN Q   T e     3 TS+    0    0  -49.3  125.5 -178.8    4.7 105.0 103.1  208 -2.1    0  0.0    0  0.0    0  0.0 11 42
  241 A 241    GLY G   T T     3 TS-    0    0   79.4   -6.7 -177.6 -110.3 104.6  69.8  278 -2.9    0  0.0    0  0.0    0  0.0  7 39
  242 A 242    ALA A     t     < T -    0    0   45.6   54.8  178.1 -163.4  42.2  27.2  239 -2.7    0  0.0    0  0.0    0  0.0 13 49
  243 A 243    PRO P     h >     T -    0    0  -66.4  133.3 -179.7 -140.4  16.8 117.1    0  0.0  247 -2.0    0  0.0    0  0.0 10 37
  244 A 244    ALA A   H H >     TS+    0    0  -60.9  -43.3 -177.8   54.8  98.4  27.2    0  0.0  248 -2.3    0  0.0    0  0.0 11 35
  245 A 245    SER S   H H >     TS+    0    0  -60.0  -45.3 -178.9   44.7 109.7  21.5    0  0.0  249 -2.2    0  0.0    0  0.0  8 35
  246 A 246    THR T   H H >     TS+    0    0  -67.4  -41.6  177.6   53.1 111.6  25.1    0  0.0  250 -2.3    0  0.0    0  0.0 10 45
  247 A 247    TYR Y   H H X     TS+    0    0  -59.1  -43.1  177.7   46.5 111.6  23.8  243 -2.0  251 -1.8    0  0.0    0  0.0 13 54
  248 A 248    ALA A   H H X     TS+    0    0  -65.6  -41.2 -179.5   53.5 110.2  25.9  244 -2.3  252 -2.5    0  0.0    0  0.0 12 49
  249 A 249    ASN N   H H X     TS+    0    0  -61.3  -43.0  179.9   47.9 109.0  22.9  245 -2.2  253 -2.0    0  0.0    0  0.0  8 43
  250 A 250    VAL V   H H X     TS+    0    0  -63.8  -41.9  179.1   50.8 111.8  23.0  246 -2.3  254 -1.8    0  0.0    0  0.0  8 64
  251 A 251    THR T   H H X     TS+    0    0  -61.2  -48.1  178.1   48.0 111.0  19.7  247 -1.8  255 -2.2    0  0.0    0  0.0 12 68
  252 A 252    ASN N   H H X     TS+    0    0  -62.4  -34.2  176.3   59.1 105.7  31.1  248 -2.5  256 -1.5    0  0.0    0  0.0 10 50
  253 A 253    ASP D   H H <     TS+    0    0  -61.4  -44.9  175.7   45.0 108.3  23.9  249 -2.0    0  0.0    0  0.0    0  0.0 10 48
  254 A 254    CYS C   H H <   > TS+    0    0  -63.6  -43.7  179.3   53.1 110.9  21.5  250 -1.8  257 -1.6    0  0.0    0  0.0 13 61
  255 A 255    LEU L   H H <   3 TS+    0    0  -63.1  -25.1 -179.5   56.4 105.3  37.8  251 -2.2    0  0.0    0  0.0    0  0.0 10 46
  256 A 256    ALA A   T h <   3 TS+    0    0  -82.4   -9.3 -175.3   75.0  94.8  58.1  252 -1.5  258 -0.5    0  0.0    0  0.0  7 39
  257 A 257    VAL V   S t     X TS-    0    0 -113.0  119.6 -172.4 -148.4  72.1 158.1  254 -1.6  260 -2.0    0  0.0    0  0.0 10 41
  258 A 258  A SER S   T T     3 TS+    0    0  -59.0  -32.7 -179.3   46.7  96.8  37.4  256 -0.5    0  0.0    0  0.0    0  0.0  5 35
  259 A 259    ARG R   T e     3 TS+    0    0  -97.5   14.2  172.6  117.0  77.9  76.9    0  0.0  232 -2.3    0  0.0  261 -0.7  8 39
  260 A 260    CYS C   E E  A i< T -    0  232  -80.9  113.0 -173.0 -167.8  46.7 136.7  257 -2.0    0  0.0    0  0.0    0  0.0 12 52
  261 A 261    LEU L   E E  A *    -    0    0  -74.4  -32.5 -172.9  -68.1  46.9  39.3  232 -2.6   15 -1.0  259 -0.7    0  0.0 11 58
  262 A 262    GLY G   E E  Aa*    -   15    0  160.9 -177.5 -174.0  -86.4  44.6 164.4    0  0.0  234 -2.0    0  0.0    0  0.0 12 67
  263 A 263    ILE I   E E  Aai    -   16  234 -129.8  132.4  167.5 -165.3  20.4 172.2   15 -1.7   17 -2.8    0  0.0    0  0.0 13 72
  264 A 264    THR T   E E  Aa*    -   17    0 -114.0  128.8  170.5 -150.2  13.1 170.8  234 -2.1  237 -2.2    0  0.0    0  0.0 14 71
  265 A 265    VAL V   E E  Aai    -   18  237  -92.0  144.3 -169.8 -116.7  26.1 140.1   17 -2.4  267 -1.9    0  0.0   19 -0.8 14 68
  266 A 266    TRP W   S e        S-    0    0  -89.2   63.4  178.9  -16.8  80.5 108.7  237 -2.5    0  0.0    0  0.0    0  0.0 12 58
  267 A 267    GLY G               -    0    0  130.0  174.1 -176.6 -106.4  63.4 129.2  265 -1.9    0  0.0    0  0.0    0  0.0 11 65
  268 A 268    VAL V   S S        S+    0    0  -99.6  -77.1  177.4   22.0  91.0  27.1    0  0.0  283 -0.9    0  0.0    0  0.0 14 64
  269 A 269    ARG R   B B   d > TS-  283    0  -90.2  159.3  174.4 -110.6  81.4 130.8    0  0.0  272 -2.2    0  0.0    0  0.0 14 54
  270 A 270    ASP D   G G     > TS+    0    0  -53.2  -39.9 -179.3   58.6 119.9  28.7  283 -2.2  273 -1.5    0  0.0    0  0.0 14 44
  271 A 271    SER S   G G     3 TS+    0    0  -68.8  -11.9  176.2   58.1  99.3  51.4    0  0.0    0  0.0    0  0.0    0  0.0  8 38
  272 A 272    ASP D   G G     < TS+    0    0  -89.8   -8.6 -174.8  110.5  86.9  60.3  269 -2.2    0  0.0    0  0.0    0  0.0  8 45
  273 A 273    SER S   S g     X TS-    0    0  -75.7  146.5  170.6 -135.3  72.9 118.6  270 -1.5  276 -1.3    0  0.0    0  0.0 12 45
  274 A 274    TRP W   T T     3 TS+    0    0  -63.8  -18.8  176.6   38.7 115.7  51.3    0  0.0    0  0.0    0  0.0    0  0.0  4 36
  275 A 275  A ARG R   T g     > TS+    0    0 -128.5   51.1 -176.8  153.3  73.3 112.2    0  0.0  278 -2.3    0  0.0    0  0.0  7 34
  276 A 276    SER S   G G     X T +    0    0  -54.5  -31.0  178.9   67.3  65.5  34.5  273 -1.3  279 -1.8    0  0.0    0  0.0 10 30
  277 A 277    GLU E   G G     3 TS+    0    0  -65.6  -18.5  178.6   54.8  97.4  42.3    0  0.0    0  0.0    0  0.0    0  0.0  4 23
  278 A 278    GLN Q   G G     < TS-    0    0  -96.4    9.5  179.9 -139.9  98.4  71.5  275 -2.3  241 -2.9    0  0.0    0  0.0  7 33
  279 A 279    THR T     g     < T +    0    0   31.3   65.3 -162.0  159.5  42.3  31.3  276 -1.8    0  0.0    0  0.0    0  0.0 11 41
  280 A 280    PRO P               +    0    0 -105.8    8.6 -172.5   80.2  32.4  71.0    0  0.0  239 -1.9    0  0.0    0  0.0 13 52
  281 A 281    LEU L   S S        S-    0    0 -114.2 -174.8 -168.6 -105.0  80.1 108.4    0  0.0    0  0.0    0  0.0    0  0.0 15 65
  282 A 282    LEU L   S S        S+    0    0  -94.2  -15.0 -179.4   59.2  92.8  54.0    0  0.0  290 -2.2    0  0.0    0  0.0 13 60
  283 A 283    PHE F   B B   dE   S-  269  289 -121.0  140.5  174.3 -126.0  75.7 161.8  268 -0.9  270 -2.2    0  0.0    0  0.0 13 55
  284 A 284    ASN N     t     > T -    0    0  -69.3  171.5 -178.9  -94.6  39.9 103.5  288 -2.8  287 -2.1    0  0.0    0  0.0 12 36
  285 A 285    ASN N   T T     3 TS+    0    0  -64.9  -23.3  177.6   53.2 125.9  40.5    0  0.0    0  0.0    0  0.0    0  0.0  8 35
  286 A 286    ASP D   T T     3 TS-    0    0  -90.9    4.4 -179.6 -102.6 122.9  71.9    0  0.0    0  0.0    0  0.0    0  0.0  6 25
  287 A 287    GLY G   S t     < TS+    0    0   90.1   -4.5  179.1  137.4  77.1  66.1  284 -2.1    0  0.0    0  0.0    0  0.0 10 32
  288 A 288    SER S               -    0    0  -74.5  156.7 -179.3  -99.9  59.3 112.4    0  0.0  284 -2.8    0  0.0    0  0.0  7 27
  289 A 289    LYS K   B B   E     -  283    0  -79.0  135.0  175.5 -143.9  32.0 124.2    0  0.0    0  0.0    0  0.0    0  0.0 10 38
  290 A 290  A LYS K     h >   > T -    0    0  -87.2  169.1  176.1 -100.4  32.1 116.0  282 -2.2  294 -1.2    0  0.0  293 -0.9  9 38
  291 A 291    ALA A   H H >   3 TS+    0    0  -57.0  -37.3  179.6   60.3 123.0  28.7    0  0.0  295 -1.8    0  0.0    0  0.0  9 32
  292 A 292    ALA A   H H >   3 TS+    0    0  -63.4  -31.5  176.4   60.2  96.4  34.3    0  0.0  296 -2.1    0  0.0    0  0.0 14 41
  293 A 293    TYR Y   H H >   < TS+    0    0  -57.8  -50.2 -178.7   46.9 106.2  19.2  290 -0.9  297 -2.6    0  0.0    0  0.0 11 60
  294 A 294    THR T   H H X     TS+    0    0  -60.8  -39.9  177.4   53.0 109.9  25.0  290 -1.2  298 -2.6    0  0.0    0  0.0  9 38
  295 A 295    ALA A   H H X     TS+    0    0  -63.2  -41.3  177.8   45.4 111.9  26.6  291 -1.8  299 -1.8    0  0.0    0  0.0 12 36
  296 A 296    VAL V   H H X     TS+    0    0  -67.1  -47.1 -179.2   48.8 113.4  20.6  292 -2.1  300 -2.6    0  0.0    0  0.0 13 55
  297 A 297    LEU L   H H X     TS+    0    0  -60.3  -44.0  178.4   50.3 111.3  21.9  293 -2.6  301 -2.1    0  0.0    0  0.0 12 50
  298 A 298    ASP D   H H X     TS+    0    0  -61.6  -39.9  177.7   49.7 110.5  25.7  294 -2.6  302 -0.7    0  0.0    0  0.0  8 37
  299 A 299    ALA A   H H <   > TS+    0    0  -65.3  -44.7  177.6   49.6 110.6  21.9  295 -1.8  302 -0.8    0  0.0    0  0.0 10 41
  300 A 300    LEU L   H H <   3 TS+    0    0  -61.7  -35.8  178.7   48.4 112.3  30.0  296 -2.6    0  0.0    0  0.0    0  0.0 12 47
  301 A 301    ASN N   H H <   3 T      0    0  -80.9   -7.9  179.8  999.9 999.9  56.8  297 -2.1    0  0.0    0  0.0    0  0.0  9 32
  302 A 302    GLY G     h <   < T      0    0   87.7  999.9  999.9  999.9 999.9 121.9  299 -0.8    0  0.0  298 -0.7    0  0.0  4 30
 
 1e0wA.pdb                                                   
 1E0W  GLYCOSIDE HYDROLASE FAMILY 10  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand    SSHHHHHHTTT EEEEEE GGGTT HHHHHHHHHH SEEEESSTTSHHHH SBTTB   HHHHHHHHHHHHTT EEEEEEEE SSS  HHHHT  HHH  Kabs/Sand
 chirality   -+-+++++++-+--+-----+++++-++++++++++-+-----+++-++++++-++--++++++++++++++-+------+++-+++--++++++--++  chirality
     bends    SSSSSSSSSSS        SSSSS SSSSSSSSSS S    SSSSSSSSS SSSS    SSSSSSSSSSSSSS       SS SSS  SSSSS  SSS  bends    
     turns     TTTTTTTTTTT      TTTTTTTTTTTTTTTTTT      TTTTTTTTT TTTT  TTTTTTTTTTTTTTTT             TTTTTTTTTTT  turns    
   5-turns          >5555<                                                        >5555<                          5-turns  
   3-turns          >>3<<       >>3X<3<                 >33<      >33<            >>3<<              >33X33<>33<  3-turns  
  bridge-2                  bbbb                   ccc                                    ddd**d                  bridge-2 
  bridge-1                aaaa                     bbbb           A  A                  ccc                       bridge-1 
    sheets                AAAAAA                   AAAA                                 AAAAAAAA                  sheets   
   4-turns     >>>><<<<               >>>>XXXX<<<<         >>44<<       >>>>XXXXXX<<<<               >>44<< >>>>  4-turns  
   summary    ShHHHHHHhTTtEEEEEEgGGGgThHHHHHHHHHHheEEEEetTThHHHHhSBTTB  hHHHHHHHHHHHHhTtEEEEEEEE SSS hHHHHhthHHH  summary  
  sequence  AESTLGAAAAQSGRYFGTAIASGRLSDSTYTSIAGREFNMVTAENEMKIDATEPQRGQFNFSSADRVYNWAVQNGKQVRGHTLAWHSQQPGWMQSLSGSA  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                                                        author   
 Kabs/Sand  HHHHHHHHHHHHHHHTTTT SEEEEEE  B SSSS  B  SHHHHT TTHHHHHHHHHHHH TTSEEEEEESS  STTSHHHHHHHHHHHHHHHHT      Kabs/Sand
 chirality  ++++++++++++++++-++-+--++--++--+-+-+---+-++++--++++++++++++++-++-----+-++++-++-+++++++++++++++-+-+++  chirality
     bends  SSSSSSSSSSSSSSSSSSS S    S   S SSSS     SSSSSS S SSSSSSSSSSSS SSS      SS  SSSSSSSSSSSSSSSSSSSS       bends    
     turns  TTTTTTTTTTTTTTTTTTTT                    TTTTTTTTTTTTTTTTTTTTTTTTT          TTTTTTTTTTTTTTTTTTTTTT     turns    
   5-turns                                                                                             >5555<     5-turns  
   3-turns               >3><3<                       >>33<<          >33<          >33<             >33<      3-turns  
  bridge-2                       eee*ee                                        ffff                               bridge-2 
  bridge-1                       ddd*d   B       B                           eeeee                                bridge-1 
    sheets                       AAAAAA                                      AAAAAA                               sheets   
   4-turns  XXXXXXXXXXXX<<>44<<  >>>>XXXXXX<<<<                >>>>XXXXXXXXXX<<<<      4-turns  
   summary  HHHHHHHHHHHHHHHhTTTteEEEEEEe B SSSS  B  hHHHHhtThHHHHHHHHHHHHhTTtEEEEEESS  tTThHHHHHHHHHHHHHHHHht  e  summary  
  sequence  LRQAMIDHINGVMAHYKGKIVQWDVVNEAFADGSSGARRDSNLQRSGNDWIEVAFRTARAADPSAKLCYNDYNVENWTWAKTQAMYNMVRDFKQRGVPID  sequence 
                   110       120       130       140       150       160       170       180       190       200
 
    author                                                                                                        author   
 Kabs/Sand  EEEE  EEBTTB   TTHHHHHHHHHTTT EEEEEEEEETT  HHHHHHHHHHHHTSTTEEEEEES SBGGGSTTGGG  SSB TTS B HHHHHHHHHH  Kabs/Sand
 chirality  -----+-+-++----++++++++++++-+----++++--+---+++++++++++++-++--------+-+++-++++-++-+--+-+---++++++++++  chirality
     bends           SSS   S SSSSSSSSSSSS      S   SS  SSSSSSSSSSSSSSSS      S SSSSSSSS SS  SSS SSS   SSSSSSSSSS  bends    
     turns          TTTT  TTTTTTTTTTTTTTTT        TTTTTTTTTTTTTTTTTTTTTT        TTTTTTTTTTT    TTTT  TTTTTTTTTTT  turns    
   5-turns                          >5555<                                                                        5-turns  
   3-turns          >33<  >>3<<     >>3<<         >33<           >33X33<        >>3X3<<    >33<  >33<     >3  3-turns  
  bridge-2  gggg                           i*i**i                      i**i*i                 E                   bridge-2 
  bridge-1  ffff  hhC  C                  gggg   hh                      aaaa   d             d     E             bridge-1 
    sheets  AAAA  AA                      AAAAAAAAA                    AAAAAA                                     sheets   
   4-turns                  >>>>XXX<<<<               >>>>XXXXXX<<<<                                 >>>>XXXXX<<  4-turns  
   summary  EEEEeeEEBTTB  tThHHHHHHHHHhTTtEEEEEEEEEeTthHHHHHHHHHHHHhtTeEEEEEEe SBGGGgTgGGGg SSBtTTt BhHHHHHHHHHH  summary  
  sequence  CVGFQSHFNSGSPYNSNFRTTLQNFAALGVDVAITELDIQGAPASTYANVTNDCLAVSRCLGITVWGVRDSDSWRSEQTPLLFNNDGSKKAAYTAVLDAL  sequence 
                   210       220       230       240       250       260       270       280       290       300
 
    author      author   
 Kabs/Sand  H   Kabs/Sand
 chirality      chirality
     bends      bends    
     turns  TT  turns    
   5-turns      5-turns  
   3-turns  3<  3-turns  
  bridge-2      bridge-2 
  bridge-1      bridge-1 
    sheets      sheets   
   4-turns  <<  4-turns  
   summary  Hh  summary  
  sequence  NG  sequence