Secondary structure calculation program - copyright by David Keith Smith, 1989
 1lnqA.pdb                                                   
 1LNQ  METAL TRANSPORT  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  301
             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  19    PRO P                    0    0  999.9  -19.9  179.3  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  4 12
    2 A  20    ALA A               +    0    0  -80.3  -22.2  179.2   40.5 999.9  44.1    0  0.0    0  0.0    0  0.0    0  0.0  5 21
    3 A  21    THR T   S S        S+    0    0 -103.7    0.7  179.1   67.8 105.0  70.3    0  0.0    0  0.0    0  0.0    0  0.0  7 22
    4 A  22    ARG R   S S        S+    0    0  -94.9  -11.6  179.0   59.7  92.3  58.1    0  0.0    0  0.0    0  0.0    0  0.0  7 18
    5 A  23    ILE I   S t >     TS+    0    0  -88.4  -17.6  179.2   67.2  92.5  51.9    0  0.0    9 -1.5    0  0.0    0  0.0  9 25
    6 A  24    LEU L   T T 4     TS+    0    0  -81.3    0.7  178.8   56.9  96.2  66.7    0  0.0    0  0.0    0  0.0    0  0.0 12 29
    7 A  25    LEU L   T T 4     TS+    0    0 -101.1  -22.9  179.1   49.4 105.2  51.7    0  0.0    0  0.0    0  0.0    0  0.0  8 25
    8 A  26    LEU L   T T >     TS+    0    0  -83.3  -35.3  178.9   46.3 112.4  36.6    0  0.0   12 -1.0    0  0.0    0  0.0  8 28
    9 A  27    VAL V   T T <     TS+    0    0  -83.6   -4.8  179.2   52.0 113.6  61.3    5 -1.5    0  0.0    0  0.0    0  0.0 12 39
   10 A  28    LEU L   T T 4     TS+    0    0 -101.3  -20.9  179.3   49.9 108.0  53.8    0  0.0    0  0.0    0  0.0    0  0.0  9 36
   11 A  29    ALA A   T T 4     TS+    0    0  -88.9  -22.4  179.5   62.2 101.7  47.3    0  0.0    0  0.0    0  0.0    0  0.0  8 31
   12 A  30    VAL V   S h X     TS+    0    0  -75.0  -19.5  179.2   52.9 101.9  46.7    8 -1.0   16 -1.6    0  0.0    0  0.0 10 42
   13 A  31    ILE I   H H >     TS+    0    0  -86.4  -22.7  178.9   46.0 110.2  46.7    0  0.0   17 -0.9    0  0.0    0  0.0 12 45
   14 A  32    ILE I   H H 4     TS+    0    0  -94.7   -6.6  179.5   37.1 123.4  61.6    0  0.0    0  0.0    0  0.0    0  0.0  9 38
   15 A  33    TYR Y   H H >     TS+    0    0 -114.0  -26.2  179.1   42.9 121.8  53.9    0  0.0   19 -0.6    0  0.0    0  0.0  8 39
   16 A  34    GLY G   H H <     TS+    0    0  -89.4  -34.4  179.5   39.4 121.5  36.2   12 -1.6    0  0.0    0  0.0    0  0.0 12 50
   17 A  35    THR T   T h X     TS+    0    0  -88.8  -11.3  179.9   70.4 106.0  56.4   13 -0.9   21 -0.7    0  0.0    0  0.0 14 49
   18 A  36    ALA A   T T 4     TS+    0    0  -73.1  -38.7  180.0   52.0  94.4  30.1    0  0.0    0  0.0    0  0.0    0  0.0 12 40
   19 A  37    GLY G   T T X     TS+    0    0  -76.7   -3.7 -180.0   72.3  97.0  59.3   15 -0.6   23 -2.3    0  0.0    0  0.0 11 43
   20 A  38    PHE F   T T 4     TS+    0    0  -76.4  -45.9 -179.9   37.7 102.0  23.3    0  0.0    0  0.0    0  0.0    0  0.0 16 45
   21 A  39    HIS H   T T <     TS+    0    0  -84.2   -0.9 -179.9   43.2 125.6  62.6   17 -0.7    0  0.0    0  0.0    0  0.0 12 35
   22 A  40    PHE F   T T 4     TS+    0    0 -109.5  -41.6 -179.7   36.2 119.4  41.3    0  0.0    0  0.0    0  0.0    0  0.0  8 32
   23 A  41    ILE I   S t <     TS+    0    0 -106.7   37.7 -180.0   17.2 127.8  99.4   19 -2.3    0  0.0    0  0.0    0  0.0  9 34
   24 A  42    GLU E   S S        S-    0    0 -173.4 -160.5  179.7  -14.9 115.2 153.7    0  0.0   26 -0.7    0  0.0    0  0.0 11 33
   25 A  43    GLY G   S S        S-    0    0  -65.6  109.1 -179.2 -108.4  79.9 119.6    0  0.0    0  0.0    0  0.0    0  0.0  7 31
   26 A  44    GLU E               +    0    0  -40.9  130.8  180.0  135.6  63.5  90.7   24 -0.7    0  0.0    0  0.0    0  0.0  7 23
   27 A  45    SER S               +    0    0  178.7   75.7  180.0  175.7  21.2 102.8    0  0.0    0  0.0    0  0.0    0  0.0  8 23
   28 A  46    TRP W   S S        S+    0    0  -66.0   -8.5  179.6   55.9  86.8  54.6    0  0.0    0  0.0    0  0.0    0  0.0  7 24
   29 A  47    THR T   S t     > TS+    0    0  -87.3  -56.7  179.9   34.2 112.6  22.9    0  0.0   32 -0.5    0  0.0    0  0.0  5 24
   30 A  48    VAL V   T T     3 TS+    0    0  -93.7   40.9  179.5  100.6  92.6 100.9    0  0.0    0  0.0    0  0.0    0  0.0  7 31
   31 A  49    SER S   T h >   > TS+    0    0  -89.0  -46.9  179.5   45.1  81.7  29.1    0  0.0   35 -1.6    0  0.0   34 -1.0 12 38
   32 A  50    LEU L   H H >   < TS+    0    0  -65.6  -28.4  179.9   65.6 105.8  35.9   29 -0.5   36 -3.0    0  0.0    0  0.0 11 42
   33 A  51    TYR Y   H H >   3 TS+    0    0  -63.6  -27.7  179.6   46.1 103.1  39.9    0  0.0   37 -1.1    0  0.0    0  0.0  8 39
   34 A  52    TRP W   H H >   < TS+    0    0  -81.9  -41.4  179.9   47.3 113.9  29.8   31 -1.0   38 -2.2    0  0.0    0  0.0 12 48
   35 A  53    THR T   H H X     TS+    0    0  -64.7  -54.5  179.9   41.7 116.5  16.2   31 -1.6   39 -3.6    0  0.0    0  0.0 13 55
   36 A  54    PHE F   H H X     TS+    0    0  -59.9  -44.7 -180.0   50.5 116.3  23.5   32 -3.0   40 -1.9    0  0.0    0  0.0  9 50
   37 A  55    VAL V   H H <    >TS+    0    0  -60.9  -40.0 -179.9   40.8 116.9  28.8   33 -1.1   42 -1.5    0  0.0   43 -1.1 11 37
   38 A  56    THR T   H H <   >5TS+    0    0  -74.8  -47.2 -179.7   50.1 114.2  22.5   34 -2.2   41 -1.3    0  0.0    0  0.0 12 44
   39 A  57    ILE I   H H <   35TS+    0    0  -62.5  -28.5 -179.9   65.1 101.2  39.0   35 -3.6    0  0.0    0  0.0    0  0.0 14 46
   40 A  58    ALA A   T h <   35TS-    0    0  -82.5   22.5 -179.7 -120.8 111.6  83.3   36 -1.9    0  0.0    0  0.0    0  0.0  9 36
   41 A  59    THR T   T T     <5TS+    0    0   40.6   34.6 -180.0  123.4  80.3  37.6   38 -1.3    0  0.0    0  0.0    0  0.0  7 29
   42 A  60    VAL V     t           TS+    0    0  -77.0  -29.8  178.6   48.9 111.6  38.6   51 -3.9   57 -0.7    0  0.0    0  0.0  7 21
   54 A  72    GLY G   H H >     TS+    0    0  -83.2   -9.8  178.5   64.3 101.5  56.6    0  0.0   58 -1.1    0  0.0    0  0.0 13 31
   55 A  73    MET M   H H >     TS+    0    0  -83.2  -18.7  179.2   53.9  98.7  49.0    0  0.0   59 -0.5    0  0.0    0  0.0 10 29
   56 A  74    TYR Y   H H 4     TS+    0    0  -83.0  -29.3  178.8   40.3 113.8  41.1    0  0.0    0  0.0    0  0.0    0  0.0  8 27
   57 A  75    PHE F   H H X     TS+    0    0  -87.9  -25.1  179.5   57.8 111.8  45.0   53 -0.7   61 -0.9    0  0.0    0  0.0 10 38
   58 A  76    THR T   H H <     TS+    0    0  -75.3  -22.9  179.1   54.6 102.6  43.9   54 -1.1    0  0.0    0  0.0    0  0.0  9 48
   59 A  77    VAL V   T h X   > TS+    0    0  -79.2  -27.8  179.5   58.8 101.2  40.1   55 -0.5   63 -1.6    0  0.0   62 -0.6  8 39
   60 A  78    THR T   H H >   3 TS+    0    0  -69.6  -30.9  179.5   55.1 100.9  36.0    0  0.0   64 -2.3    0  0.0    0  0.0 10 38
   61 A  79    LEU L   H H <   3 TS+    0    0  -76.5  -12.4  179.7   51.5 107.6  52.4   57 -0.9    0  0.0    0  0.0    0  0.0 12 48
   62 A  80    ILE I   H H 4   < TS+    0    0  -90.8  -36.3  179.1   45.7 110.7  37.3   59 -0.6    0  0.0    0  0.0    0  0.0 10 36
   63 A  81    VAL V   H H <   > TS+    0    0  -70.9  -52.0  179.1   39.0 119.7  18.5   59 -1.6   66 -1.0    0  0.0    0  0.0  8 29
   64 A  82    LEU L   T h <   3 TS+    0    0  -83.4   18.6 -180.0   97.4  93.2  80.6   60 -2.3    0  0.0    0  0.0    0  0.0 11 40
   65 A  83    GLY G   T T     3 TS+    0    0  -78.6  -23.1  179.5   36.0  90.0  43.2    0  0.0    0  0.0    0  0.0    0  0.0 13 40
   66 A  84    ILE I   S t >   < TS+    0    0 -100.9  -18.8  179.8   75.7 101.5  53.0   63 -1.0   70 -2.0    0  0.0    0  0.0 10 34
   67 A  85    GLY G   T T 4     TS+    0    0  -78.9   19.1  179.9   29.4 110.7  79.4    0  0.0    0  0.0    0  0.0    0  0.0  9 37
   68 A  86    THR T   T T >     TS+    0    0 -146.7  -23.3  179.6   50.6 120.5  68.3    0  0.0   72 -1.8    0  0.0    0  0.0 12 42
   69 A  87    PHE F   T T 4     TS+    0    0  -88.1  -44.2  178.9   39.9 116.0  30.5    0  0.0    0  0.0    0  0.0    0  0.0 10 34
   70 A  88    ALA A   T T <     TS+    0    0  -81.4   -4.0  179.6   49.4 122.9  61.6   66 -2.0    0  0.0    0  0.0    0  0.0  8 29
   71 A  89    VAL V   T h >   > TS+    0    0  -97.2  -61.8 -179.9   46.3 106.4  28.9    0  0.0   75 -0.8    0  0.0   74 -0.6 12 32
   72 A  90    ALA A   H H X   3 TS+    0    0  -63.9    0.8  179.5   69.1 106.4  62.1   68 -1.8   76 -0.5    0  0.0    0  0.0  9 31
   73 A  91    VAL V   H H >   3 TS+    0    0  -83.8  -52.9  179.5   36.3 102.7  22.4    0  0.0   77 -1.2    0  0.0    0  0.0  8 24
   74 A  92    GLU E   H H 4   < TS+    0    0  -76.9   -6.6  179.4   52.7 120.7  57.9   71 -0.6    0  0.0    0  0.0    0  0.0  8 22
   75 A  93    ARG R   H H <     TS+    0    0  -98.9  -23.6  179.5   49.0 107.3  49.1   71 -0.8    0  0.0    0  0.0    0  0.0 10 24
   76 A  94    LEU L   H H X     TS+    0    0  -86.4  -23.2  179.8   44.1 115.9  45.8   72 -0.5   80 -0.9    0  0.0    0  0.0  8 19
   77 A  95    LEU L   T h <     TS+    0    0  -99.8    0.3  179.8   68.3 102.7  68.6   73 -1.2    0  0.0    0  0.0    0  0.0  7 15
   78 A  96    GLU E   T T 4     TS+    0    0 -103.8   14.5  179.5   25.7 113.7  80.4    0  0.0    0  0.0    0  0.0    0  0.0  6 16
   79 A  97    PHE F   T T 4     T      0    0 -141.9  -37.7  179.5  999.9 999.9  63.5    0  0.0    0  0.0    0  0.0    0  0.0  5 12
   80!A  98    LEU L     t <     T      0    0 -165.4  999.9  999.9  999.9 999.9 106.9   76 -0.9    0  0.0    0  0.0    0  0.0  4  8
   81!A 116    ARG R                    0    0  999.9   56.1  178.9  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  6 21
   82 A 117    HIS H   E E  Aa     -  143    0 -126.4  155.4 -179.3 -129.9 999.9 155.6  142 -0.7  144 -3.5    0  0.0  145 -0.6 11 36
   83 A 118    VAL V   E E  Aab    -  145  104 -111.5  131.0  179.5 -155.6  13.6 154.8  103 -3.1  105 -2.9    0  0.0    0  0.0 12 49
   84 A 119    VAL V   E E  Aab    -  146  105 -106.5  130.3  178.8 -160.5   1.7 152.3  145 -1.4  147 -2.5    0  0.0   86 -0.6 16 65
   85 A 120    ILE I   E E  Aab    -  147  106 -111.2  110.1  178.7 -156.7   6.3 158.3  105 -3.8  107 -2.7    0  0.0   87 -0.6 13 73
   86 A 121    CYS C   E E  Aab    +  148  107  -86.7  120.8 -179.9   13.3  66.6 139.4  147 -3.0  149 -2.3   84 -0.6    0  0.0 14 75
   87 A 122    GLY G   S e        S-    0    0   90.3  140.3 -178.4 -118.6  75.7  74.5  107 -2.7   89 -0.6   85 -0.6    0  0.0 14 65
   88 A 123    TRP W               +    0    0 -121.8  102.3 -179.4  137.7  50.5 154.1    0  0.0    0  0.0    0  0.0    0  0.0 14 56
   89 A 124    SER S     h >     T -    0    0 -134.3  172.2  178.9  -91.2  68.6 145.5   87 -0.6   93 -4.0    0  0.0    0  0.0  8 45
   90 A 125    GLU E   H H >     TS+    0    0  -50.9  -47.7  178.6   51.8 129.4  22.7    0  0.0   94 -3.6    0  0.0    0  0.0  6 32
   91 A 126    SER S   H H >     TS+    0    0  -50.0  -61.0  178.4   45.0 113.4  11.4    0  0.0   95 -2.2    0  0.0    0  0.0  8 40
   92 A 127    THR T   H H >     TS+    0    0  -47.2  -54.6 -179.9   49.6 113.8  22.9    0  0.0   96 -3.3    0  0.0    0  0.0 12 52
   93 A 128    LEU L   H H X     TS+    0    0  -52.5  -59.9  179.6   48.0 110.5  14.9   89 -4.0   97 -1.3    0  0.0    0  0.0  9 41
   94 A 129    GLU E   H H <     TS+    0    0  -51.4  -32.7 -179.8   49.2 114.9  33.2   90 -3.6    0  0.0    0  0.0    0  0.0  8 35
   95 A 130    CYS C   H H X   > TS+    0    0  -72.8  -48.7  179.6   54.2 104.7  20.1   91 -2.2   98 -2.2    0  0.0   99 -1.9  8 40
   96 A 131    LEU L   H H <   3 TS+    0    0  -57.7  -17.1 -179.5   68.7  99.6  45.2   92 -3.3    0  0.0    0  0.0    0  0.0 12 43
   97 A 132    ARG R   T h <   3 TS+    0    0  -74.4  -26.3  179.1   39.2 104.0  40.2   93 -1.3    0  0.0    0  0.0    0  0.0  9 33
   98 A 133    GLU E   T g 4   X TS+    0    0  -87.0  -47.6 -179.8   55.5 111.3  28.0   95 -2.2  101 -0.9    0  0.0    0  0.0  7 29
   99 A 134    LEU L   G G <   > TS+    0    0  -67.2   10.9 -177.5  116.9  73.9  68.8   95 -1.9  102 -0.7    0  0.0    0  0.0  9 35
  100 A 135    ARG R   G G     3 T +    0    0  -48.3  -43.7 -179.6   65.2  63.4  28.1    0  0.0  102 -1.8    0  0.0    0  0.0 11 28
  101 A 136    GLY G   G G     < TS+    0    0  -75.9   45.1  180.0   44.6 104.8  98.1   98 -0.9    0  0.0    0  0.0    0  0.0  6 21
  102 A 137    SER S   S g     < TS-    0    0 -173.4  170.0 -178.9  -65.9  96.1 172.8  100 -1.8  104 -0.7   99 -0.7    0  0.0  6 27
  103 A 138    GLU E     e         +    0    0  -72.6  108.1  179.7  168.6  55.1 124.7    0  0.0   83 -3.1    0  0.0    0  0.0 11 34
  104 A 139    VAL V   E E  Ab     -   83    0 -127.3  138.1  178.9 -164.6  19.1 166.9  102 -0.7  123 -3.0    0  0.0    0  0.0 14 48
  105 A 140    PHE F   E E  Abc    -   84  123 -122.5  125.3  179.1 -157.1   6.4 168.9   83 -2.9   85 -3.8    0  0.0  107 -0.6 13 58
  106 A 141    VAL V   E E  Abc    -   85  124 -104.0  121.2 -179.9 -163.2   6.4 153.4  123 -3.0  125 -3.2    0  0.0  108 -0.6 15 63
  107 A 142    LEU L   E E  Abc    +   86  125 -105.5  115.6 -179.2  155.6  25.0 156.9   85 -2.7   87 -2.7  105 -0.6    0  0.0 17 61
  108 A 143    ALA A   E E  A c    -    0  126 -142.0  159.4 -179.3 -133.2  46.4 163.8  125 -1.2  127 -2.2  106 -0.6    0  0.0 15 54
  109 A 144    GLU E   S S        S+    0    0  -75.8  -48.3 -178.0   75.3  85.0  21.4    0  0.0  111 -0.5    0  0.0    0  0.0  9 39
  110 A 145    ASP D     g >   > T -    0    0  -74.6  117.4 -179.9 -160.7  61.6 123.9    0  0.0  113 -1.3    0  0.0  114 -0.5  7 27
  111 A 146    GLU E   G G 4   > TS+    0    0  -60.8  -43.9 -179.5   74.0  85.0  24.9  109 -0.5  114 -1.0    0  0.0    0  0.0  7 24
  112 A 147    ASN N   G G 4   3 TS+    0    0  -42.7  -24.5  179.5   65.5  89.2  44.3    0  0.0    0  0.0    0  0.0    0  0.0  5 22
  113 A 148    VAL V   G h >   X TS+    0    0  -64.3  -56.8 -179.7   79.8  79.6  12.6  110 -1.3  116 -2.7    0  0.0  117 -1.2  9 33
  114 A 149    ARG R   H H X   < TS+    0    0  -13.2  -77.7 -178.4   57.9  84.5  48.0  111 -1.0  118 -1.7  110 -0.5    0  0.0 10 32
  115 A 150    LYS K   H H >   3 TS+    0    0  -32.5  -45.0 -179.3   39.0 114.6  40.0    0  0.0  119 -1.2    0  0.0    0  0.0  7 23
  116 A 151    LYS K   H H >   < TS+    0    0  -79.1  -41.9  179.1   60.6 106.4  27.1  113 -2.7  120 -1.7    0  0.0    0  0.0  7 32
  117 A 152    VAL V   H H <    >TS+    0    0  -57.1  -18.7  179.4   47.6 110.7  41.8  113 -1.2  122 -1.1    0  0.0    0  0.0 12 43
  118 A 153    LEU L   H H <    5TS+    0    0  -88.9  -38.0  179.3   61.4  99.7  34.0  114 -1.7    0  0.0    0  0.0    0  0.0 10 33
  119 A 154    ARG R   H H <    5TS+    0    0  -58.1  -26.2  176.9   60.6 105.0  36.9  115 -1.2    0  0.0    0  0.0    0  0.0  7 25
  120 A 155    SER S   T h <    5TS-    0    0  -97.9  142.4 -177.3  -95.1 118.8 145.0  116 -1.7  122 -4.3    0  0.0    0  0.0  9 33
  121 A 156    GLY G   T T      5TS+    0    0  -56.3   51.1 -179.1  105.3  89.3  93.9    0  0.0    0  0.0    0  0.0    0  0.0 11 33
  122 A 157    ALA A     t       T -    0    0 -110.3  114.9 -179.3 -146.2  28.2 159.8    0  0.0  131 -2.5    0  0.0    0  0.0 10 46
  129 A 164    PRO P   T T     3 TS+    0    0  -57.6   -0.7 -179.9   65.2  96.8  60.7    0  0.0    0  0.0    0  0.0    0  0.0 13 56
  130 A 165    THR T   T T     3 TS+    0    0  -93.8  -23.7 -179.9   78.2  85.6  44.7    0  0.0  132 -0.6    0  0.0    0  0.0 11 48
  131 A 166    ARG R   S h >   X TS-    0    0  -89.3  120.9 -179.3 -148.1  73.4 141.6  128 -2.5  135 -1.8    0  0.0  134 -0.9 10 35
  132 A 167    VAL V   H H >   3 TS+    0    0  -55.0  -39.3  179.3   62.5  97.0  30.2  130 -0.6  136 -2.6    0  0.0    0  0.0 11 38
  133 A 168    SER S   H H >   3 TS+    0    0  -54.7  -39.5  179.5   41.6 108.5  29.8    0  0.0  137 -0.7    0  0.0    0  0.0  6 30
  134 A 169    ASP D   H H >   < TS+    0    0  -80.7  -28.3  177.7   60.0 107.1  38.6  131 -0.9  138 -0.6    0  0.0    0  0.0 11 39
  135 A 170    LEU L   H H <   > TS+    0    0  -61.1  -41.9  179.8   50.5 106.1  18.4  131 -1.8  138 -1.7    0  0.0    0  0.0 16 53
  136 A 171    GLU E   H H <   > TS+    0    0  -64.5  -28.3  177.9   68.4  95.9  37.4  132 -2.6  139 -1.6    0  0.0    0  0.0  9 42
  137 A 172    LYS K   H H <   3 TS+    0    0  -62.4  -19.3 -179.7   42.3 106.6  42.3  133 -0.7    0  0.0    0  0.0    0  0.0  8 38
  138 A 173    ALA A   T h <   < TS-    0    0 -106.2    3.6  179.8 -124.2 114.0  69.7  135 -1.7    0  0.0  134 -0.6    0  0.0 11 47
  139 A 174    ASN N     t     < T +    0    0   50.0   70.7  179.6  175.2  38.3  14.2  136 -1.6    0  0.0    0  0.0    0  0.0  9 48
  140 A 175    VAL V   S t     > TS+    0    0  -69.7  -34.0 -179.2   74.7  70.9  31.5    0  0.0  143 -1.5    0  0.0    0  0.0 14 52
  141 A 176    ARG R   T T     3 TS+    0    0  -45.2  -43.5 -179.4   30.7 108.3  31.7    0  0.0    0  0.0    0  0.0    0  0.0  8 36
  142 A 177    GLY G   T e     3 TS+    0    0  -98.1   -1.7  179.7  127.4  90.4  64.7    0  0.0   82 -0.7    0  0.0    0  0.0  7 30
  143 A 178    ALA A   E E  Aa < T -   82    0  -61.0  127.6  179.1 -142.6  58.9 112.7  140 -1.5    0  0.0    0  0.0    0  0.0 12 43
  144 A 179    ARG R   E E  A*    S-    0    0  -56.6  -34.4  178.8  -25.3  84.0  33.4   82 -3.5  171 -0.6    0  0.0    0  0.0 10 35
  145 A 180    ALA A   E E  Aad    -   83  171 -174.5  151.1  179.0 -125.8  66.9 153.7   82 -0.6   84 -1.4    0  0.0    0  0.0 12 48
  146 A 181    VAL V   E E  Aad    -   84  172 -113.7  132.9  178.8 -154.8  12.9 159.0  171 -2.6  173 -3.2    0  0.0  148 -0.5 14 70
  147 A 182    ILE I   E E  Aad    -   85  173 -105.1  126.6 -177.7 -162.6  16.6 155.1   84 -2.5   86 -3.0    0  0.0  149 -0.5 12 70
  148 A 183    VAL V   E E  Aad    +   86  174 -124.5  124.4  178.0  144.2  27.8 159.3  173 -3.4  175 -2.2  146 -0.5    0  0.0 14 70
  149 A 184    ASP D     e         +    0    0 -151.6   97.5  177.4  167.3  16.3 141.2   86 -2.3    0  0.0  147 -0.5    0  0.0 15 61
  150 A 185    LEU L               -    0    0 -103.5  173.2 -177.1  -91.8  52.6 125.4    0  0.0    0  0.0    0  0.0    0  0.0 11 53
  151 A 186    GLU E   S S        S+    0    0  -58.8  -29.5 -178.8   31.0 108.5  40.9    0  0.0    0  0.0    0  0.0    0  0.0  7 38
  152 A 187    SER S   S h >   > TS-    0    0 -136.3  135.6 -178.0 -126.2  76.3 175.5    0  0.0  156 -2.4    0  0.0  155 -0.6  7 36
  153 A 188    ASP D   H H >   3 TS+    0    0  -45.0  -36.7  179.3   61.3 112.6  30.9    0  0.0  157 -3.7    0  0.0    0  0.0 13 44
  154 A 189    SER S   H H >   3 TS+    0    0  -55.4  -56.3  179.5   43.8 105.0  16.0    0  0.0  158 -2.1    0  0.0    0  0.0  6 37
  155 A 190    GLU E   H H >   < TS+    0    0  -58.6  -37.1  179.5   51.2 115.1  26.7  152 -0.6  159 -2.7    0  0.0    0  0.0 10 43
  156 A 191    THR T   H H X     TS+    0    0  -63.9  -50.2  179.6   51.7 106.3  15.5  152 -2.4  160 -2.8    0  0.0    0  0.0 15 58
  157 A 192    ILE I   H H X     TS+    0    0  -50.1  -39.5 -179.4   50.1 113.0  28.8  153 -3.7  161 -2.0    0  0.0    0  0.0 11 49
  158 A 193    HIS H   H H X     TS+    0    0  -61.4  -69.7 -178.8   50.2 107.1   1.4  154 -2.1  162 -2.4    0  0.0    0  0.0 10 46
  159 A 194    CYS C   H H X     TS+    0    0  -38.0  -44.0 -179.5   54.2 109.5  37.3  155 -2.7  163 -2.9    0  0.0    0  0.0 13 61
  160 A 195    ILE I   H H X     TS+    0    0  -59.6  -61.7  179.5   47.8 106.7   7.8  156 -2.8  164 -2.8    0  0.0    0  0.0 13 61
  161 A 196    LEU L   H H X     TS+    0    0  -44.8  -45.9  178.6   53.8 111.9  25.8  157 -2.0  165 -3.0    0  0.0    0  0.0 10 47
  162 A 197    GLY G   H H <     TS+    0    0  -54.0  -55.8  179.3   46.1 109.1  15.8  158 -2.4    0  0.0    0  0.0    0  0.0 12 53
  163 A 198    ILE I   H H X   > TS+    0    0  -51.7  -56.2  179.1   52.2 111.3  15.6  159 -2.9  166 -3.3    0  0.0  167 -1.1 12 56
  164 A 199    ARG R   H H <   3 TS+    0    0  -42.9  -53.3  179.6   66.1  98.8  23.0  160 -2.8    0  0.0    0  0.0    0  0.0 11 46
  165 A 200    LYS K   T h <   3 TS+    0    0  -47.5  -10.0  178.8   31.1 113.9  56.4  161 -3.0    0  0.0    0  0.0    0  0.0  8 33
  166 A 201    ILE I   T T 4   < TS+    0    0 -113.9  -75.5  178.1   12.7 134.7  44.5  163 -3.3  168 -0.8    0  0.0    0  0.0  9 36
  167 A 202    ASP D     t <   > T -    0    0 -105.4  103.7 -178.2 -167.2  67.5 157.2  163 -1.1  170 -1.0    0  0.0    0  0.0  9 35
  168 A 203    GLU E   T T     3 TS+    0    0  -79.6   20.7 -179.9   48.1  82.7  77.7  166 -0.8    0  0.0    0  0.0    0  0.0  7 31
  169 A 204    SER S   T T     3 TS+    0    0 -137.0   -1.1  179.5  122.1  73.1  67.0    0  0.0    0  0.0    0  0.0    0  0.0  5 29
  170 A 205    VAL V   S t     < TS-    0    0  -65.5  142.9  178.5 -105.7  73.3 113.1  167 -1.0  172 -0.6    0  0.0    0  0.0 12 40
  171 A 206    ARG R   E E  Ad     -  145    0  -73.3  119.2  179.3 -163.3  41.3 127.6  144 -0.6  146 -2.6    0  0.0    0  0.0  9 44
  172 A 207    ILE I   E E  Ad     -  146    0 -106.1  130.5  178.0 -171.1   9.2 154.2  170 -0.6  191 -2.2    0  0.0  192 -1.7 13 54
  173 A 208    ILE I   E E  Ade    -  147  192 -124.3  122.6 -178.6 -178.3  11.9 169.5  146 -3.2  148 -3.4    0  0.0    0  0.0 13 55
  174 A 209    ALA A   E E  Ade    -  148  193 -125.9  151.0  178.5 -136.4  23.4 156.0  192 -2.8  194 -2.3    0  0.0    0  0.0 14 59
  175 A 210    GLU E   E E  A e    -    0  194  -98.7  142.2  179.5 -144.4  19.6 140.7  148 -2.2  177 -0.5    0  0.0    0  0.0 10 56
  176 A 211    ALA A     e         -    0    0 -109.3  128.7 -179.5 -163.8   8.5 159.7  194 -2.6    0  0.0    0  0.0    0  0.0 14 49
  177 A 212    GLU E   S S        S+    0    0  -79.3  -30.6 -179.7   37.5  79.7  32.6  175 -0.5    0  0.0    0  0.0    0  0.0 10 41
  178 A 213    ARG R   S g     > TS-    0    0 -127.0  136.0 -179.3 -136.6  72.6 165.6    0  0.0  181 -2.1    0  0.0    0  0.0  9 31
  179 A 214    TYR Y   G G     > TS+    0    0  -50.1  -41.2 -178.5   66.7 101.6  30.8    0  0.0  182 -1.7    0  0.0    0  0.0  8 28
  180 A 215    GLU E   G G     3 TS+    0    0  -62.3   -5.1 -179.4   48.4 101.3  61.3    0  0.0    0  0.0    0  0.0    0  0.0  5 23
  181 A 216    ASN N   G h >   < TS+    0    0 -117.4    4.0 -178.4  102.0  74.9  68.1  178 -2.1  185 -2.6    0  0.0    0  0.0 10 35
  182 A 217    ILE I   H H >   < TS+    0    0  -55.6  -37.8 -179.3   45.2  87.8  29.6  179 -1.7  186 -0.8    0  0.0    0  0.0 11 37
  183 A 218    GLU E   H H >   > TS+    0    0  -72.9  -49.0  179.2   47.8 112.3  21.1    0  0.0  187 -3.0    0  0.0  186 -0.8  7 30
  184 A 219    GLN Q   H H >   3 TS+    0    0  -58.6  -35.8 -178.8   59.4 107.8  27.3    0  0.0  188 -2.8    0  0.0    0  0.0  8 33
  185 A 220    LEU L   H H <   3>TS+    0    0  -61.8  -31.1  179.1   41.5 110.5  33.9  181 -2.6  190 -1.8    0  0.0    0  0.0 15 43
  186 A 221    ARG R   H H <   X5TS+    0    0  -80.8  -48.7  179.9   55.6 109.6  21.8  183 -0.8  189 -2.4  182 -0.8    0  0.0 11 44
  187 A 222    MET M   H H <   35TS+    0    0  -47.2  -49.8 -179.8   57.6 103.5  22.7  183 -3.0    0  0.0    0  0.0    0  0.0  7 33
  188 A 223    ALA A   T h <   35TS-    0    0  -55.8  -22.8  178.0  -91.1 133.5  43.8  184 -2.8    0  0.0    0  0.0    0  0.0 10 40
  189 A 224    GLY G   T T     <5TS+    0    0  126.0    5.0  178.9  147.6  73.1  58.2  186 -2.4    0  0.0    0  0.0    0  0.0 10 43
  190 A 225    ALA A     t         > T -    0    0 -117.9   76.7 -179.5 -174.8   2.3 132.4    0  0.0  199 -2.1    0  0.0  198 -1.6 12 39
  196 A 231    PRO P   H H >   3 TS+    0    0  -38.5  -39.9 -178.3   52.7  84.2  37.4    0  0.0  200 -3.1    0  0.0    0  0.0  9 39
  197 A 232    PHE F   H H >   3 TS+    0    0  -72.5  -34.3  178.8   50.7 105.2  32.5    0  0.0  201 -2.9    0  0.0    0  0.0  8 30
  198 A 233    VAL V   H H >   < TS+    0    0  -67.7  -42.5  179.8   45.2 115.5  19.4  195 -1.6  202 -2.4    0  0.0    0  0.0  8 25
  199 A 234    ILE I   H H X     TS+    0    0  -59.8  -57.8 -179.5   46.9 115.2   8.6  195 -2.1  203 -3.0    0  0.0    0  0.0  8 29
  200 A 235    SER S   H H X     TS+    0    0  -48.8  -52.4 -179.5   49.1 112.9  24.9  196 -3.1  204 -2.5    0  0.0    0  0.0  8 28
  201 A 236    GLY G   H H X     TS+    0    0  -55.7  -57.0 -179.6   44.7 113.2  16.0  197 -2.9  205 -2.4    0  0.0    0  0.0  8 24
  202 A 237    ARG R   H H X     TS+    0    0  -54.9  -49.4  179.3   53.4 111.3  20.2  198 -2.4  206 -2.5    0  0.0    0  0.0  8 26
  203 A 238    LEU L   H H X     TS+    0    0  -53.3  -42.7  178.8   50.8 110.0  23.5  199 -3.0  207 -0.9    0  0.0    0  0.0 10 24
  204 A 239    MET M   H H <   > TS+    0    0  -57.0  -66.2 -179.7   44.7 110.7   6.6  200 -2.5  207 -3.2    0  0.0    0  0.0  9 22
  205 A 240    SER S   H H <   > TS+    0    0  -47.7  -29.6 -178.8   52.8 115.0  38.5  201 -2.4  208 -0.6    0  0.0    0  0.0  7 18
  206 A 241    ARG R   H H <   3 TS+    0    0  -85.4  -11.1  179.3   55.6 104.0  52.7  202 -2.5    0  0.0    0  0.0    0  0.0 11 21
  207 A 242    SER S   T h <   < TS+    0    0 -105.8   16.9  177.5   89.4  77.6  76.5  204 -3.2    0  0.0  203 -0.9    0  0.0 11 19
  208 A 243    ILE I   S t     < TS+    0    0  -72.1  -42.2  177.8   36.4 100.2  22.6  205 -0.6    0  0.0    0  0.0    0  0.0  7 15
  209 A 244    ASP D   S S        S-    0    0  -66.5 -101.0  177.8  -23.3 139.7  22.2    0  0.0    0  0.0    0  0.0    0  0.0  5 13
  210 A 245    ASP D               -    0    0 -117.0  143.4 -177.8 -134.7  60.7 157.8    0  0.0    0  0.0    0  0.0    0  0.0  7 15
  211 A 246    GLY G   S h >     TS+    0    0  -91.2   27.1 -179.1  104.3  74.2  87.3    0  0.0  215 -1.5    0  0.0    0  0.0  9 20
  212 A 247    TYR Y   H H >     TS+    0    0  -71.0  -45.2  179.9   57.9  76.1  22.3    0  0.0  216 -2.7    0  0.0    0  0.0  7 19
  213 A 248    GLU E   H H >     TS+    0    0  -51.8  -40.9 -180.0   37.4 115.6  25.6    0  0.0  217 -1.3    0  0.0    0  0.0 10 22
  214 A 249    ALA A   H H >     TS+    0    0  -83.8  -23.8  178.7   59.3 111.6  42.0    0  0.0  218 -1.4    0  0.0    0  0.0 11 26
  215 A 250    MET M   H H X     TS+    0    0  -71.2  -31.7  179.5   55.1 103.6  34.6  211 -1.5  219 -1.9    0  0.0    0  0.0  8 27
  216 A 251    PHE F   H H X     TS+    0    0  -64.0  -66.5 -179.6   46.3 106.1   4.3  212 -2.7  220 -3.0    0  0.0    0  0.0  8 31
  217 A 252    VAL V   H H X     TS+    0    0  -44.2  -50.6 -178.4   41.6 118.3  29.6  213 -1.3  221 -1.3    0  0.0    0  0.0  8 34
  218 A 253    GLN Q   H H <     TS+    0    0  -69.1  -42.0  179.6   46.0 117.2  24.1  214 -1.4    0  0.0    0  0.0    0  0.0  8 29
  219 A 254    ASP D   H H <   > TS+    0    0  -67.5  -42.2  180.0   55.9 108.4  27.7  215 -1.9  222 -1.1    0  0.0    0  0.0  8 21
  220 A 255    VAL V   H H <   3 TS+    0    0  -59.8  -38.8 -179.8   48.2 108.0  30.2  216 -3.0    0  0.0    0  0.0    0  0.0 11 29
  221 A 256    LEU L   T h <   3 TS+    0    0  -80.9   -5.6  179.1   92.4  95.8  58.0  217 -1.3    0  0.0    0  0.0    0  0.0  7 30
  222 A 257    ALA A   S t     < TS-    0    0  -93.5  133.0 -179.5 -121.2  86.7 140.4  219 -1.1  224 -3.5    0  0.0    0  0.0  6 23
  223 A 258    GLU E   S S        S+    0    0  -67.4   58.6  179.8   92.9  82.9 105.1    0  0.0    0  0.0    0  0.0    0  0.0  7 25
  224 A 259    GLU E               +    0    0 -142.0  173.6  178.5   43.3  58.1 148.8  222 -3.5    0  0.0    0  0.0    0  0.0  7 19
  225 A 260    SER S   S S        S-    0    0   64.0   10.9  179.9 -108.5  93.2  59.4    0  0.0  227 -3.4    0  0.0    0  0.0  4 19
  226 A 261    THR T   S S        S+    0    0   69.4  -64.5  179.6  114.8  88.8 108.3    0  0.0    0  0.0    0  0.0    0  0.0  7 24
  227 A 262    ARG R               -    0    0  -37.2  130.4  179.3 -169.3  50.3  92.7  225 -3.4    0  0.0    0  0.0    0  0.0 10 34
  228 A 263    ARG R   E E  BF     -  287    0 -137.2  131.6  179.1 -131.6  24.1 173.5  287 -1.6  287 -1.3    0  0.0  230 -0.5 10 35
  229 A 264    MET M   E E  BF     +  286    0  -78.5  122.7 -177.6  176.4  40.4 133.6    0  0.0    0  0.0    0  0.0    0  0.0 10 42
  230 A 265    VAL V   E E  BF     -  285    0 -134.7  149.9  177.7 -143.0  32.3 162.8  285 -3.9  285 -3.5  228 -0.5  232 -0.6 10 41
  231 A 266    GLU E   E E  BF     -  284    0 -112.7  109.9 -179.3 -171.5  23.8 161.9    0  0.0    0  0.0    0  0.0    0  0.0  8 42
  232 A 267    VAL V   E E  BF     -  283    0 -107.0  130.1 -179.7 -138.7  13.3 154.9  283 -2.5  283 -3.5  230 -0.6    0  0.0  9 49
  233 A 268    PRO P   E E  BF     -  282    0  -86.3  150.7  179.4 -122.3  15.1 122.0    0  0.0    0  0.0    0  0.0    0  0.0  8 42
  234 A 269    ILE I     e         -    0    0  -95.6  106.2 -179.7 -127.5  32.4 145.9  281 -2.1    0  0.0  279 -0.5    0  0.0 13 43
  235 A 270    PRO P               -    0    0  -49.1  157.3 -178.3 -103.4  25.8  90.2    0  0.0    0  0.0    0  0.0    0  0.0 10 28
  236 A 271    GLU E   S S        S+    0    0  -51.8  -49.6  179.0   43.7 117.0  26.6    0  0.0  238 -1.0    0  0.0    0  0.0  7 24
  237 A 272    GLY G   S S        S+    0    0 -101.1   92.2 -178.6  168.9  84.9 142.4    0  0.0    0  0.0    0  0.0    0  0.0  8 21
  238 A 273    SER S               -    0    0 -113.0  135.8  179.1 -139.9  45.3 153.7  236 -1.0    0  0.0    0  0.0    0  0.0 11 30
  239 A 274    LYS K   S S        S+    0    0  -71.5   21.5  179.2   48.5 110.3  78.5  299 -0.9    0  0.0    0  0.0    0  0.0  8 30
  240 A 275    LEU L   S t     > TS+    0    0 -126.6  -36.8 -179.3  122.6  72.2  54.6    0  0.0  243 -4.9    0  0.0    0  0.0  9 38
  241 A 276    GLU E   T T     3 TS+    0    0  -36.6  109.3 -179.3   15.0  90.6  92.2    0  0.0    0  0.0    0  0.0    0  0.0 11 35
  242 A 277    GLY G   T T     3 TS+    0    0  106.2  -19.4  179.7  125.4 100.4  83.2  277 -1.9    0  0.0    0  0.0    0  0.0  7 27
  243 A 278    VAL V     t     < T -    0    0  -73.5  150.7  179.9 -114.0  62.4 112.4  240 -4.9  277 -1.8    0  0.0    0  0.0  9 30
  244 A 279    SER S   B h > A   T -  276    0  -87.4  142.9  179.0 -128.6  13.1 128.7    0  0.0  248 -2.7    0  0.0    0  0.0 11 31
  245 A 280    VAL V   H H >     TS+    0    0  -51.6  -46.1 -179.9   51.3 116.4  21.6  275 -1.5  249 -1.0    0  0.0    0  0.0 14 44
  246 A 281    LEU L   H H 4     TS+    0    0  -58.8  -39.3 -178.7   48.3 111.3  28.6  273 -1.5    0  0.0    0  0.0    0  0.0  8 27
  247 A 282    ASP D   H H 4     TS+    0    0  -72.8  -34.9 -178.7   53.1 107.1  32.6    0  0.0    0  0.0    0  0.0    0  0.0  6 26
  248 A 283    ALA A   H H <     TS-    0    0  -78.1  -12.5 -179.4 -160.9  79.1  51.8  244 -2.7    0  0.0    0  0.0    0  0.0  9 38
  249 A 284    ASP D     h X     T +    0    0   32.1   43.8 -178.7  177.5  16.8  37.4  245 -1.0  253 -3.0    0  0.0    0  0.0  8 36
  250 A 285    ILE I   H H >    >TS+    0    0  -43.5  -34.9 -179.1   53.3  72.8  40.2    0  0.0  254 -3.5    0  0.0  255 -1.0 12 52
  251 A 286    HIS H   H H >    5TS+    0    0  -67.4  -60.7  179.9   41.2 111.8   7.7    0  0.0  255 -1.6    0  0.0    0  0.0  9 40
  252 A 287    ASP D   H H 4    5TS+    0    0  -52.9  -42.0 -179.0   41.3 124.8  25.8    0  0.0    0  0.0    0  0.0    0  0.0  6 23
  253 A 288    VAL V   H H <    5TS+    0    0  -71.4  -53.6 -177.8   13.7 134.5  18.0  249 -3.0    0  0.0    0  0.0    0  0.0  7 30
  254 A 289    THR T   H H <    5TS-    0    0  -95.8  -38.5 -179.6 -132.3  83.7  35.3  250 -3.5    0  0.0    0  0.0    0  0.0 11 38
  255 A 290    GLY G     h <     T -    0    0  -58.8  149.9 -178.8 -110.3  27.4 104.2    0  0.0  275 -1.4    0  0.0    0  0.0  6 24
  273 A 308    ARG R   T T     3 TS+    0    0  -45.4  -50.6 -178.9   59.7 115.5  28.8    0  0.0  246 -1.5    0  0.0  275 -0.6  7 23
  274 A 309    ASP D   T T     3 TS+    0    0  -72.9   27.8  178.9  128.8  77.9  87.7    0  0.0    0  0.0    0  0.0    0  0.0  7 22
  275 A 310    TYR Y     t     < T -    0    0  -84.0  146.5  179.8 -148.1  48.4 127.3  272 -1.4  245 -1.5  273 -0.6  277 -0.5  9 32
  276 A 311    SER S   B B   A     -  244    0 -121.8  116.0 -179.6 -130.8  12.1 161.6    0  0.0    0  0.0    0  0.0    0  0.0  9 35
  277 A 312    PHE F               -    0    0  -59.1  149.5  179.3 -173.2  29.6 102.6  243 -1.8  242 -1.9  275 -0.5    0  0.0 11 45
  278 A 313    ARG R               -    0    0 -125.8 -157.1 -178.8  -84.0  34.0 115.5    0  0.0    0  0.0    0  0.0    0  0.0  9 37
  279 A 314    ALA A   S S        S+    0    0  -80.0  -74.9 -179.2   33.8 118.1  11.5    0  0.0  234 -0.5    0  0.0    0  0.0 10 29
  280 A 315    GLY G   S S        S+    0    0  -57.9  -15.9 -179.9  131.4  90.9  49.8    0  0.0    0  0.0    0  0.0    0  0.0 10 29
  281 A 316    ASP D     e         -    0    0  -43.0  139.4  179.4 -149.8  46.0  89.8    0  0.0  234 -2.1    0  0.0    0  0.0 12 42
  282 A 317    ILE I   E E  BFG    -  233  262 -119.8  133.9 -178.9 -141.9   3.6 161.7  262 -2.2  262 -3.7    0  0.0  284 -0.6 12 45
  283 A 318    ILE I   E E  BFG    -  232  261  -99.6  119.2  178.7 -160.7   6.8 147.9  232 -3.5  232 -2.5    0  0.0  285 -0.9 13 59
  284 A 319    LEU L   E E  BFG    +  231  260  -99.0  105.5  179.7  149.6  33.4 148.4  260 -3.4  259 -2.1  282 -0.6  260 -1.1 13 46
  285 A 320    GLY G   E E  BFG    -  230  258 -141.5  154.4  179.8 -138.2  40.7 169.1  230 -3.5  230 -3.9  283 -0.9    0  0.0 13 48
  286 A 321    ILE I   E E  BFG    +  229  257 -106.8  143.0  179.2  124.9  43.5 148.3  257 -1.7  257 -2.2    0  0.0    0  0.0 12 46
  287 A 322    GLY G   E E  BF     -  228    0  174.8  162.2  178.9  -67.7  60.8 158.8  228 -1.3  228 -1.6    0  0.0    0  0.0 14 39
  288 A 323    LYS K     h >     T -    0    0  -60.1  142.3  180.0 -113.8  53.1 109.4    0  0.0  292 -2.7    0  0.0    0  0.0 11 32
  289 A 324    PRO P   H H >     TS+    0    0  -46.0  -46.9  178.9   53.2 119.6  24.8    0  0.0  293 -3.2    0  0.0    0  0.0  9 30
  290 A 325    GLU E   H H >     TS+    0    0  -51.0  -58.9  179.4   50.0 107.7  14.2    0  0.0  294 -3.4    0  0.0    0  0.0  7 28
  291 A 326    GLU E   H H >     TS+    0    0  -45.7  -48.7  180.0   50.3 111.6  23.4    0  0.0  295 -2.3    0  0.0    0  0.0 11 33
  292 A 327    ILE I   H H X   > TS+    0    0  -55.1  -60.5  179.1   46.9 110.1  13.3  288 -2.7  296 -2.3    0  0.0  295 -0.8 13 37
  293 A 328    GLU E   H H X   3 TS+    0    0  -46.2  -48.0  179.7   51.8 112.9  23.9  289 -3.2  297 -1.9    0  0.0    0  0.0  8 33
  294 A 329    ARG R   H H X   3 TS+    0    0  -58.4  -36.1 -179.1   53.0 107.7  31.0  290 -3.4  298 -2.1    0  0.0    0  0.0  9 35
  295 A 330    LEU L   H H <   < TS+    0    0  -68.4  -39.8 -179.5   53.6 104.8  27.6  291 -2.3    0  0.0  292 -0.8    0  0.0 11 43
  296 A 331    LYS K   H H X   > TS+    0    0  -62.2  -41.4  179.5   46.0 111.2  25.4  292 -2.3  300 -1.8    0  0.0  299 -0.9  9 43
  297 A 332    ASN N   H H <   3 TS+    0    0  -67.3  -44.1  179.8   66.2 100.0  23.9  293 -1.9    0  0.0    0  0.0    0  0.0  7 29
  298 A 333    TYR Y   T h <   3 TS+    0    0  -60.7    9.7  179.8   31.4 116.6  68.2  294 -2.1    0  0.0    0  0.0    0  0.0  8 36
  299 A 334    ILE I   T T 4   < TS+    0    0 -135.1  -33.0 -179.2  122.0  86.7  58.1  296 -0.9  239 -0.9    0  0.0    0  0.0 11 42
  300 A 335    SER S     t <     T      0    0  -41.7  130.5  179.6  999.9 999.9  92.6  296 -1.8    0  0.0    0  0.0    0  0.0  9 29
  301 A 336    ALA A                    0    0   46.9  999.9  999.9  999.9 999.9  32.5    0  0.0    0  0.0    0  0.0    0  0.0  7 19
 
 1lnqA.pdb                                                   
 1LNQ  METAL TRANSPORT  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand    SSSTTTTTTSHHHHTTTTTTSSS  SSTTHHHHHHHHTT   SS     SSHHHHHTHHHHTTSTTTTTHHHHHTTT  EEEEES  HHHHHHHTTGG  Kabs/Sand
 chirality   ++++++++++++++++++++++--++++++++++++++-+-+-++---+-+++++++++++++++++++++++++++   ----+-+-+++++++++++  chirality
     bends    SSSSSSSSSSSSSSSSSSSSSSS  SSSSSSSSSSSSSS   SS     SSSSSSSSSSSSSSSSSSSSSSSSSSS        S  SSSSSSSSSS   bends    
     turns      TTTTTTTTTTTTTTTTTTT     TTTTTTTTTTTTTT          TTTTTTTTTTTTTTTTTTTTTTTTTTTT        TTTTTTTTTTTT  turns    
   5-turns                                      >5555<                                                            5-turns  
   3-turns                              >3><3<   >33<                 >33<>33<    >33<                    >33X>3  3-turns  
  bridge-2                                                                                    bbbb                bridge-2 
  bridge-1                                                                                   aaaaa                bridge-1 
    sheets                                                                                   AAAAA                sheets   
   4-turns      >44><44X>4>>>>XX<<<<            >>>4X<4<< >4>4<>X>4>>>X5555<                                                              >5555<            5-turns  
   3-turns  <<       >>3X<3<           >33X33<>>3<<>33<        >33<       >33<>33<       >>3<<>33X33<     >33<    3-turns  
  bridge-2      cccc                                    dddd                        eee                           bridge-2 
  bridge-1     bbbb               cccc                a*aaaa                      dddd                 eee        bridge-1 
    sheets     AAAAA              AAAA                AAAAAA                      AAAAA                AAA        sheets   
   4-turns           >44>X>><<<<          >>>><<<<             >>>>XXXXXX>>><<<<      >>>>XX  4-turns  
   summary  GgeEEEEESgGGhHHHHHHhTtEEEEetTThHHHHHHhttTeEEEEEEe ShHHHHHHHHHHHHhTtTTtEEEEEeSgGGhHHHHHHhTtSEEEhHHHHH  summary  
  sequence  GSEVFVLAEDENVRKKVLRSGANFVHGDPTRVSDLEKANVRGARAVIVDLESDSETIHCILGIRKIDESVRIIAEAERYENIEQLRMAGADQVISPFVIS  sequence 
                   110       120       130       140       150       160       170       180       190       200
 
    author                                                                                                        author   
 Kabs/Sand  HHHHHHTSS SHHHHHHHHHTSS SS EEEEEE  SS SSTT BHHHH HHHHH  EEEEEE SS EESS  TT B  SS EEEEEE HHHHHHHHHTT   Kabs/Sand
 chirality  ++++++++--+++++++++++-++-+--+------++-++++--+++-+++++-+--+-----++---+---++----++---+-+--+++++++++++   chirality
     bends  SSSSSSSSS SSSSSSSSSSSSS SS         SS SSSS  SSSS SSSSS         SS   SS  SS    SS        SSSSSSSSSSS   bends    
     turns  TTTTTTTT  TTTTTTTTTTTT                 TTTTTTTTTTTTTTTT                TTTT            TTTTTTTTTTTTT  turns    
   5-turns                                                   >5555<                                               5-turns  
   3-turns     >>3<<          >33<                 >33<                            >33<                >33<>33<   3-turns  
  bridge-2                                                              HH                   GGGGG                bridge-2 
  bridge-1                             FFFFFF          A            GG*GGG    HH       A     FFFFFF               bridge-1 
    sheets                             BBBBBB                       BBBBBB    BB             BBBBBB               sheets   
   4-turns  XXX<<<<   >>>>XXX<<<<                      >>44>4<<<                                >>>>XXX