Secondary structure calculation program - copyright by David Keith Smith, 1989
1d8cA.pdb
1D8C LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 688
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 3 GLN Q e 0 0 999.9 137.0 177.6 999.9 999.9 999.9 0 0.0 12 -2.7 0 0.0 0 0.0 4 21
2 A 4 THR T E E AA - 11 0 -113.1 158.8 178.4 -152.7 999.9 144.4 0 0.0 0 0.0 0 0.0 0 0.0 7 30
3 A 5 ILE I E E AA - 10 0 -128.2 135.8 176.0 -137.3 10.5 168.3 10 -3.1 10 -4.2 0 0.0 5 -0.6 10 32
4 A 6 THR T E E AA + 9 0 -100.2 128.1 177.0 167.3 25.4 142.0 0 0.0 0 0.0 0 0.0 0 0.0 8 36
5 A 7 GLN Q E E AA > T - 8 0 -133.0 137.1 -176.5 -34.8 66.1 173.0 8 -1.8 8 -4.1 3 -0.6 0 0.0 10 39
6 A 8 SER S T T 3 TS- 0 0 45.0 -130.2 -179.8 -28.1 128.5 102.2 0 0.0 0 0.0 0 0.0 0 0.0 8 30
7 A 9 ARG R T T 3 TS+ 0 0 -98.1 21.4 -178.0 99.5 122.0 77.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
8 A 10 LEU L E E AA < T - 5 0 -107.6 157.3 170.9 -148.8 60.8 134.3 5 -4.1 5 -1.8 0 0.0 10 -0.5 12 42
9 A 11 ARG R E E AAB - 4 333 -120.0 117.2 -176.0 -169.9 29.5 173.8 333 -1.9 333 -2.6 0 0.0 0 0.0 11 39
10 A 12 ILE I E E AAB - 3 332 -113.7 138.9 177.0 -101.7 30.3 156.5 3 -4.2 3 -3.1 8 -0.5 0 0.0 13 47
11 A 13 ASP D E E >AA T - 2 0 -56.5 134.0 -176.1 -131.1 34.5 108.9 331 -2.8 15 -2.7 0 0.0 0 0.0 13 39
12 A 14 ALA A H H > TS+ 0 0 -57.4 -52.2 178.7 44.3 104.0 20.9 1 -2.7 16 -2.0 0 0.0 0 0.0 9 29
13 A 15 ASN N H H > TS+ 0 0 -60.0 -36.1 178.0 54.1 113.8 29.2 0 0.0 17 -2.0 0 0.0 0 0.0 8 31
14 A 16 PHE F H H > TS+ 0 0 -61.4 -47.5 -178.2 53.1 103.9 23.3 0 0.0 18 -2.9 0 0.0 0 0.0 12 46
15 A 17 LYS K H H X TS+ 0 0 -57.2 -41.5 179.1 47.6 110.7 20.3 11 -2.7 19 -3.0 0 0.0 0 0.0 10 47
16 A 18 ARG R H H X >TS+ 0 0 -62.8 -49.4 -179.6 54.5 108.6 18.7 12 -2.0 20 -5.3 0 0.0 21 -0.7 9 33
17 A 19 PHE F H H X >TS+ 0 0 -48.1 -56.0 -175.8 42.9 113.6 12.5 13 -2.0 21 -3.3 0 0.0 22 -1.8 10 43
18 A 20 VAL V H H X >TS+ 0 0 -56.1 -65.9 -174.8 37.3 120.7 10.8 14 -2.9 23 -2.4 0 0.0 22 -1.5 9 57
19 A 21 ASP D H H < 5TS+ 0 0 -60.7 -31.7 -178.9 38.3 125.2 37.9 15 -3.0 0 0.0 0 0.0 0 0.0 10 36
20 A 22 GLU E H H < 5TS+ 0 0 -96.5 -24.3 -177.4 19.2 130.3 41.5 16 -5.3 0 0.0 0 0.0 0 0.0 8 28
21 A 23 GLU E H H < XTS+ 0 0 -69.6 -27.2 -176.3 81.0 92.8 39.0 18 -2.4 27 -1.0 0 0.0 28 -0.7 13 42
24 A 26 PRO P H H 4 5TS+ 0 0 -52.2 -48.9 177.0 41.8 95.3 28.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
25 A 27 GLY G H H 4 5TS+ 0 0 -61.7 -47.1 -178.3 69.4 107.2 8.8 0 0.0 0 0.0 0 0.0 0 0.0 6 31
26 A 28 THR T H H < 5TS- 0 0 -38.3 -43.0 -177.3 -141.7 86.9 47.9 22 -0.8 0 0.0 0 0.0 0 0.0 9 34
27 A 29 GLY G T h < 5T + 0 0 72.7 29.2 178.2 133.1 57.1 30.3 23 -1.0 0 0.0 0 0.0 0 0.0 6 27
28 A 30 LEU L t T - 0 0 -76.7 138.4 -177.9 -143.2 21.7 125.7 0 0.0 33 -1.7 0 0.0 0 0.0 7 27
30 A 32 ALA A H H > TS+ 0 0 -62.5 -51.6 178.3 46.0 98.6 25.8 0 0.0 34 -3.2 0 0.0 0 0.0 8 35
31 A 33 ALA A H H > TS+ 0 0 -60.4 -45.0 177.1 47.6 116.3 19.9 0 0.0 35 -2.3 0 0.0 0 0.0 8 30
32 A 34 ALA A H H > TS+ 0 0 -63.8 -32.8 -179.0 54.1 110.4 28.2 0 0.0 36 -2.4 0 0.0 0 0.0 8 30
33 A 35 PHE F H H X TS+ 0 0 -65.5 -47.7 -179.8 42.9 111.3 14.3 29 -1.7 37 -2.1 0 0.0 0 0.0 9 46
34 A 36 TRP W H H X TS+ 0 0 -66.6 -30.5 -179.6 56.7 111.2 35.7 30 -3.2 38 -2.3 0 0.0 0 0.0 10 52
35 A 37 ARG R H H X TS+ 0 0 -66.0 -53.8 177.9 42.1 111.0 13.7 31 -2.3 39 -2.3 0 0.0 0 0.0 10 37
36 A 38 ASN N H H X TS+ 0 0 -58.9 -34.1 -176.6 56.4 111.5 33.2 32 -2.4 40 -2.3 0 0.0 0 0.0 8 40
37 A 39 PHE F H H X TS+ 0 0 -63.2 -43.3 177.9 49.3 107.9 17.5 33 -2.1 41 -2.8 0 0.0 0 0.0 9 56
38 A 40 ASP D H H X TS+ 0 0 -58.1 -46.8 179.3 52.0 109.3 25.2 34 -2.3 42 -3.6 0 0.0 0 0.0 13 46
39 A 41 GLU E H H X TS+ 0 0 -58.5 -49.6 -179.9 46.2 111.0 20.6 35 -2.3 43 -3.1 0 0.0 0 0.0 8 40
40 A 42 ILE I H H X TS+ 0 0 -59.4 -52.2 178.6 48.5 114.3 13.1 36 -2.3 44 -3.3 0 0.0 0 0.0 12 50
41 A 43 VAL V H H X TS+ 0 0 -52.8 -51.3 -179.6 43.0 115.9 18.8 37 -2.8 45 -2.1 0 0.0 0 0.0 11 52
42 A 44 HIS H H H < TS+ 0 0 -62.9 -33.4 -173.1 48.0 118.3 30.8 38 -3.6 0 0.0 0 0.0 0 0.0 10 40
43 A 45 ASP D H H < TS+ 0 0 -80.2 -32.1 -173.1 25.3 122.2 28.3 39 -3.1 0 0.0 0 0.0 0 0.0 7 37
44 A 46 LEU L H H X TS+ 0 0 -105.2 -28.2 -176.2 78.8 98.2 44.8 40 -3.3 48 -2.5 0 0.0 0 0.0 9 47
45 A 47 ALA A H H X TS+ 0 0 -51.5 -42.2 -176.8 54.6 92.3 27.4 41 -2.1 49 -3.0 0 0.0 0 0.0 11 49
46 A 48 PRO P H H > TS+ 0 0 -61.7 -41.1 178.5 45.2 110.5 22.1 0 0.0 50 -2.3 0 0.0 0 0.0 8 36
47 A 49 GLU E H H > TS+ 0 0 -72.4 -29.0 177.5 57.0 108.9 30.0 0 0.0 51 -2.2 0 0.0 0 0.0 7 34
48 A 50 ASN N H H X TS+ 0 0 -60.1 -48.8 -179.5 47.9 108.5 10.0 44 -2.5 52 -1.9 0 0.0 0 0.0 11 46
49 A 51 ARG R H H X TS+ 0 0 -56.0 -43.6 -177.9 53.4 108.9 27.4 45 -3.0 53 -1.9 0 0.0 0 0.0 8 38
50 A 52 GLN Q H H X TS+ 0 0 -62.9 -41.0 -179.7 53.0 105.6 27.2 46 -2.3 54 -1.7 0 0.0 0 0.0 8 28
51 A 53 LEU L H H X TS+ 0 0 -60.8 -40.1 -178.9 50.4 108.6 26.5 47 -2.2 55 -1.7 0 0.0 0 0.0 9 40
52 A 54 LEU L H H X TS+ 0 0 -70.1 -33.9 179.2 49.9 108.8 34.3 48 -1.9 56 -1.5 0 0.0 0 0.0 10 41
53 A 55 ALA A H H X TS+ 0 0 -73.1 -30.4 176.5 58.2 106.9 31.9 49 -1.9 57 -3.0 0 0.0 0 0.0 8 27
54 A 56 GLU E H H X TS+ 0 0 -60.9 -41.5 178.2 54.0 101.8 23.4 50 -1.7 58 -2.7 0 0.0 0 0.0 8 32
55 A 57 ARG R H H X TS+ 0 0 -57.6 -46.5 -177.6 47.0 110.1 19.1 51 -1.7 59 -2.3 0 0.0 0 0.0 10 45
56 A 58 ASP D H H X TS+ 0 0 -63.5 -42.5 179.1 53.4 109.5 21.6 52 -1.5 60 -2.2 0 0.0 0 0.0 9 37
57 A 59 ARG R H H X TS+ 0 0 -56.2 -49.6 -178.3 46.9 110.4 21.3 53 -3.0 61 -1.8 0 0.0 0 0.0 8 29
58 A 60 ILE I H H X TS+ 0 0 -63.4 -40.8 -176.7 52.3 109.2 23.1 54 -2.7 62 -3.0 0 0.0 0 0.0 10 43
59 A 61 GLN Q H H X TS+ 0 0 -66.4 -35.7 -179.3 54.3 106.7 26.6 55 -2.3 63 -3.0 0 0.0 0 0.0 10 46
60 A 62 ALA A H H X TS+ 0 0 -64.3 -38.9 176.5 46.7 110.0 22.0 56 -2.2 64 -2.1 0 0.0 0 0.0 8 32
61 A 63 ALA A H H X TS+ 0 0 -66.3 -43.1 176.2 50.3 112.3 22.7 57 -1.8 65 -2.4 0 0.0 0 0.0 9 36
62 A 64 LEU L H H X TS+ 0 0 -59.1 -44.6 179.3 52.7 109.5 23.7 58 -3.0 66 -2.9 0 0.0 0 0.0 10 47
63 A 65 ASP D H H X TS+ 0 0 -58.0 -47.9 179.2 49.3 108.0 23.5 59 -3.0 67 -2.2 0 0.0 0 0.0 11 42
64 A 66 GLU E H H X TS+ 0 0 -60.8 -42.7 178.5 49.2 112.5 18.8 60 -2.1 68 -1.8 0 0.0 0 0.0 8 26
65 A 67 TRP W H H X TS+ 0 0 -61.9 -48.5 -178.0 44.1 112.7 19.9 61 -2.4 69 -2.3 0 0.0 0 0.0 8 38
66 A 68 HIS H H H < TS+ 0 0 -66.1 -34.7 179.8 52.6 112.9 25.9 62 -2.9 0 0.0 0 0.0 0 0.0 12 42
67 A 69 ARG R H H < TS+ 0 0 -66.1 -33.8 -180.0 42.4 114.3 33.5 63 -2.2 0 0.0 0 0.0 0 0.0 9 30
68 A 70 SER S H H < TS+ 0 0 -84.0 -24.5 179.8 39.3 123.2 45.8 64 -1.8 0 0.0 0 0.0 0 0.0 6 23
69 A 71 ASN N S h < TS- 0 0 -124.3 61.3 -176.2 -166.5 91.0 121.6 65 -2.3 0 0.0 0 0.0 0 0.0 8 32
70 A 72 PRO P + 0 0 -50.2 156.1 -179.4 7.1 42.9 85.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34
71 A 73 GLY G S S S+ 0 0 67.1 -169.5 -178.5 1.2 107.5 92.7 442 -3.7 0 0.0 0 0.0 0 0.0 10 34
72 A 74 PRO P S S S- 0 0 -49.8 146.4 -176.2 -94.0 85.1 88.4 0 0.0 74 -0.9 0 0.0 0 0.0 10 40
73 A 75 VAL V + 0 0 -72.2 106.6 -178.3 177.9 43.3 121.1 0 0.0 0 0.0 0 0.0 0 0.0 10 39
74 A 76 LYS K S S S+ 0 0 -80.1 -35.3 177.6 41.3 74.1 24.1 72 -0.9 76 -0.7 0 0.0 0 0.0 4 29
75 A 77 ASP D h > T + 0 0 -111.0 93.4 -179.1 178.6 63.0 143.3 0 0.0 79 -2.3 0 0.0 0 0.0 6 25
76 A 78 LYS K H H > TS+ 0 0 -57.6 -42.3 -178.1 53.2 81.5 22.1 74 -0.7 80 -3.2 0 0.0 0 0.0 9 29
77 A 79 ALA A H H > TS+ 0 0 -58.9 -47.0 179.7 45.3 109.7 31.0 0 0.0 81 -1.6 0 0.0 0 0.0 6 25
78 A 80 ALA A H H > TS+ 0 0 -65.7 -37.1 179.6 54.8 112.1 29.7 0 0.0 82 -2.1 0 0.0 0 0.0 7 26
79 A 81 TYR Y H H X TS+ 0 0 -62.1 -47.5 179.7 46.6 109.2 15.5 75 -2.3 83 -2.5 0 0.0 0 0.0 9 40
80 A 82 LYS K H H X TS+ 0 0 -66.5 -31.7 -179.2 55.2 107.9 30.0 76 -3.2 84 -2.3 0 0.0 0 0.0 9 39
81 A 83 SER S H H X TS+ 0 0 -66.6 -38.3 -179.3 49.8 108.4 21.9 77 -1.6 85 -2.9 0 0.0 0 0.0 8 26
82 A 84 PHE F H H X TS+ 0 0 -59.7 -47.8 -178.6 48.5 111.4 18.2 78 -2.1 86 -3.3 0 0.0 0 0.0 8 33
83 A 85 LEU L H H < >TS+ 0 0 -61.0 -39.1 179.2 50.6 111.0 30.9 79 -2.5 88 -2.5 0 0.0 89 -1.1 10 45
84 A 86 ARG R H H < >5TS+ 0 0 -67.7 -41.9 178.8 47.2 111.6 22.9 80 -2.3 87 -0.6 0 0.0 0 0.0 10 28
85 A 87 GLU E H H < 35TS+ 0 0 -62.6 -38.5 -178.6 54.4 110.3 23.7 81 -2.9 0 0.0 0 0.0 0 0.0 7 20
86 A 88 LEU L T h < 35TS- 0 0 -67.8 -18.2 -176.1 -120.4 112.8 44.8 82 -3.3 0 0.0 0 0.0 0 0.0 9 32
87 A 89 GLY G T T <5TS+ 0 0 82.0 17.0 -178.9 116.0 84.7 45.8 84 -0.6 0 0.0 0 0.0 0 0.0 7 36
88 A 90 TYR Y S t > T - 0 0 -72.8 159.4 -176.5 -111.5 19.9 108.3 0 0.0 107 -1.8 0 0.0 108 -1.4 10 49
105 A 107 SER S H H > 3>TS+ 0 0 -62.5 -27.3 -179.2 73.6 110.5 46.1 0 0.0 109 -2.5 0 0.0 110 -1.0 7 49
106 A 108 GLU E H H 4 35TS+ 0 0 -58.8 -26.1 -178.6 33.5 110.6 37.7 0 0.0 0 0.0 0 0.0 0 0.0 10 62
107 A 109 ILE I H H 4 <5TS+ 0 0 -96.9 -36.1 -179.0 34.3 127.6 38.7 104 -1.8 0 0.0 0 0.0 0 0.0 12 61
108 A 110 THR T H H < 5TS+ 0 0 -96.8 -9.4 -177.4 28.8 131.3 64.0 104 -1.4 0 0.0 0 0.0 0 0.0 10 43
109 A 111 SER S T h < 5TS+ 0 0 -130.2 -10.1 178.5 39.8 120.0 58.5 105 -2.5 0 0.0 0 0.0 0 0.0 8 41
110 A 112 GLN Q t T 0 0 999.9 110.8 -177.5 999.9 999.9 999.9 0 0.0 124 -2.4 0 0.0 0 0.0 7 45
121 A 124 ALA A H H > T + 0 0 -62.7 -38.8 177.5 52.1 999.9 26.8 0 0.0 125 -2.7 0 0.0 0 0.0 9 43
122 A 125 ARG R H H > TS+ 0 0 -60.4 -51.2 179.2 43.4 113.8 15.2 0 0.0 126 -2.9 0 0.0 0 0.0 7 35
123 A 126 TYR Y H H > TS+ 0 0 -57.9 -43.7 179.0 52.8 113.7 29.2 0 0.0 127 -2.1 0 0.0 0 0.0 9 50
124 A 127 ALA A H H X TS+ 0 0 -62.4 -44.4 177.3 44.6 111.6 22.8 120 -2.4 128 -2.5 0 0.0 0 0.0 12 58
125 A 128 LEU L H H X TS+ 0 0 -65.6 -42.7 -176.5 50.0 113.8 24.9 121 -2.7 129 -1.9 0 0.0 0 0.0 13 52
126 A 129 ASN N H H < TS+ 0 0 -66.3 -32.3 179.7 50.4 110.9 28.9 122 -2.9 0 0.0 0 0.0 0 0.0 9 54
127 A 130 ALA A H H < > TS+ 0 0 -64.3 -47.1 179.3 50.7 109.1 20.7 123 -2.1 130 -1.3 0 0.0 0 0.0 15 58
128 A 131 ALA A H H < > TS+ 0 0 -59.0 -35.2 179.7 46.3 112.8 36.4 124 -2.5 317 -3.3 0 0.0 131 -0.6 13 64
129 A 132 ASN N G h < > TS+ 0 0 -87.6 -0.2 -174.9 94.3 85.5 62.1 125 -1.9 132 -1.2 0 0.0 0 0.0 12 56
130 A 133 ALA A G T < T + 0 0 -73.1 -1.6 178.3 97.0 53.0 63.8 127 -1.3 260 -2.3 0 0.0 0 0.0 15 64
131 A 134 ARG R G e < TS+ 0 0 -53.6 -34.4 -179.3 34.2 94.0 31.0 128 -0.6 259 -3.3 0 0.0 0 0.0 14 70
132 A 135 TRP W E E CE < TS+ 258 0 -129.5 126.7 -179.4 172.9 77.0 167.3 129 -1.2 0 0.0 0 0.0 0 0.0 13 61
133 A 136 GLY G E E CE - 257 0 -135.2 152.3 176.8 -109.5 35.9 165.8 257 -2.9 257 -3.3 0 0.0 135 -0.5 13 60
134 A 137 SER S E E >CE T - 256 0 -78.6 120.0 177.9 -163.0 20.3 129.6 0 0.0 138 -2.4 0 0.0 0 0.0 11 50
135 A 138 LEU L H H > TS+ 0 0 -71.2 -31.1 177.3 56.9 91.0 31.9 255 -2.9 139 -2.9 133 -0.5 0 0.0 13 57
136 A 139 TYR Y H H > TS+ 0 0 -63.9 -52.0 178.8 42.5 110.5 9.8 255 -0.9 140 -3.0 0 0.0 0 0.0 12 58
137 A 140 ASP D H H > TS+ 0 0 -59.7 -46.6 -178.1 53.2 112.8 21.6 0 0.0 141 -2.1 0 0.0 0 0.0 7 50
138 A 141 ALA A H H < TS+ 0 0 -58.5 -43.4 -178.6 41.7 114.4 17.9 134 -2.4 0 0.0 0 0.0 0 0.0 13 49
139 A 142 LEU L H H < > TS+ 0 0 -68.6 -45.0 -173.5 54.7 110.9 17.3 135 -2.9 142 -2.5 0 0.0 0 0.0 12 52
140 A 143 TYR Y H H < 3 TS+ 0 0 -58.9 -43.3 179.7 46.0 109.9 20.8 136 -3.0 0 0.0 0 0.0 0 0.0 11 45
141 A 144 GLY G T h < 3 TS+ 0 0 -80.4 7.7 -176.9 83.6 105.6 60.6 137 -2.1 0 0.0 0 0.0 0 0.0 6 42
142 A 145 SER S S t < TS- 0 0 -107.4 177.2 177.6 -123.6 79.8 121.7 139 -2.5 0 0.0 0 0.0 0 0.0 10 42
143 A 146 ASP D S S S+ 0 0 -95.8 8.0 179.9 94.1 92.3 76.5 0 0.0 0 0.0 0 0.0 0 0.0 11 34
144 A 147 ILE I S S S+ 0 0 -64.2 -35.6 176.6 42.4 93.8 24.5 0 0.0 0 0.0 0 0.0 0 0.0 7 40
145 A 148 ILE I S S S- 0 0 -110.0 101.7 -176.2 -116.4 112.6 160.9 0 0.0 0 0.0 0 0.0 0 0.0 11 37
146 A 149 PRO P - 0 0 -50.4 129.6 178.3 -123.7 18.0 96.7 0 0.0 148 -0.6 0 0.0 0 0.0 6 27
147 A 150 GLN Q + 0 0 -77.9 116.3 -179.8 169.2 37.0 132.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
148 A 151 GLU E S S S- 0 0 -133.9 93.2 -177.1 -16.8 74.9 148.1 146 -0.6 0 0.0 0 0.0 0 0.0 4 20
149 A 152 GLY G 0 0 75.4 48.5 -177.5 999.9 999.9 26.9 0 0.0 0 0.0 0 0.0 0 0.0 3 19
150!A 153 ALA A 0 0 -78.3 999.9 999.9 999.9 999.9 127.1 0 0.0 0 0.0 0 0.0 0 0.0 5 23
151!A 155 VAL V 0 0 999.9 -59.2 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 16
152 A 156 SER S + 0 0 -108.4 154.5 178.3 23.2 999.9 138.9 0 0.0 0 0.0 0 0.0 0 0.0 3 13
153 A 157 GLY G S S S- 0 0 92.5 -178.0 -178.5 -55.1 90.0 105.7 0 0.0 155 -0.6 0 0.0 0 0.0 4 16
154 A 158 TYR Y - 0 0 -107.4 114.7 173.9 -161.3 36.6 153.3 0 0.0 0 0.0 0 0.0 0 0.0 5 30
155 A 159 ASP D h > T - 0 0 -89.1 121.5 -175.5 -160.3 7.1 145.1 153 -0.6 159 -2.5 0 0.0 0 0.0 7 27
156 A 160 PRO P H H > TS+ 0 0 -79.0 -15.6 176.6 62.3 88.3 47.8 0 0.0 160 -2.7 0 0.0 0 0.0 6 32
157 A 161 GLN Q H H > TS+ 0 0 -73.5 -40.5 175.4 39.6 110.4 22.3 0 0.0 161 -1.5 0 0.0 0 0.0 6 26
158 A 162 ARG R H H > > TS+ 0 0 -66.1 -47.5 177.2 56.4 113.7 12.3 0 0.0 162 -2.5 0 0.0 161 -0.8 9 35
159 A 163 GLY G H H X 3 TS+ 0 0 -44.6 -56.1 -179.7 52.7 104.9 19.9 155 -2.5 163 -2.5 0 0.0 0 0.0 10 46
160 A 164 GLU E H H X 3 TS+ 0 0 -51.7 -40.2 -179.1 50.5 107.3 32.2 156 -2.7 164 -1.8 0 0.0 0 0.0 8 40
161 A 165 GLN Q H H X < TS+ 0 0 -66.5 -40.6 177.7 51.1 110.3 26.9 157 -1.5 165 -2.5 158 -0.8 0 0.0 9 36
162 A 166 VAL V H H X TS+ 0 0 -58.5 -52.2 178.9 48.7 109.3 19.1 158 -2.5 166 -2.5 0 0.0 0 0.0 12 45
163 A 167 ILE I H H X TS+ 0 0 -53.9 -43.2 -174.4 49.1 113.2 29.9 159 -2.5 167 -2.5 0 0.0 0 0.0 9 50
164 A 168 ALA A H H X TS+ 0 0 -68.0 -41.8 178.6 53.4 107.6 25.3 160 -1.8 168 -2.5 0 0.0 0 0.0 9 40
165 A 169 TRP W H H X TS+ 0 0 -55.9 -50.7 -179.1 45.5 111.1 18.1 161 -2.5 169 -1.5 0 0.0 0 0.0 8 43
166 A 170 VAL V H H X TS+ 0 0 -60.2 -40.9 -179.6 58.7 107.3 28.5 162 -2.5 170 -2.5 0 0.0 0 0.0 10 53
167 A 171 ARG R H H X TS+ 0 0 -58.0 -42.0 -179.6 50.5 105.5 21.4 163 -2.5 171 -2.8 0 0.0 0 0.0 11 45
168 A 172 ARG R H H X TS+ 0 0 -61.1 -41.2 -176.5 51.9 108.6 26.3 164 -2.5 172 -1.4 0 0.0 0 0.0 10 31
169 A 173 PHE F H H X TS+ 0 0 -63.6 -42.5 -179.5 46.4 110.4 22.6 165 -1.5 173 -2.7 0 0.0 0 0.0 9 47
170 A 174 LEU L H H X TS+ 0 0 -65.2 -47.8 179.2 56.1 109.2 13.9 166 -2.5 174 -3.8 0 0.0 0 0.0 10 56
171 A 175 ASP D H H < TS+ 0 0 -52.2 -30.0 -176.4 43.7 112.6 36.3 167 -2.8 0 0.0 0 0.0 0 0.0 11 38
172 A 176 GLU E H H < TS+ 0 0 -86.3 -34.9 -174.4 22.8 127.3 32.9 168 -1.4 0 0.0 0 0.0 0 0.0 7 34
173 A 177 SER S H H < TS+ 0 0 -108.1 -13.9 -179.7 36.9 130.9 50.9 169 -2.7 0 0.0 0 0.0 0 0.0 9 43
174 A 178 LEU L S h < TS- 0 0 -132.9 50.5 -175.6 -169.9 84.5 109.6 170 -3.8 0 0.0 0 0.0 0 0.0 12 52
175 A 179 PRO P - 0 0 -50.2 140.3 175.3 -129.3 18.0 90.4 0 0.0 207 -3.5 0 0.0 208 -0.5 12 40
176 A 180 LEU L B B A - 206 0 -83.1 152.7 178.2 -116.6 25.3 121.7 179 -0.5 0 0.0 0 0.0 0 0.0 12 42
177 A 181 GLU E S S S- 0 0 -56.3 -39.0 176.6 -0.5 103.2 25.4 205 -4.0 0 0.0 0 0.0 0 0.0 9 31
178 A 182 ASN N S S S+ 0 0 -154.6 131.1 178.1 22.6 117.0 159.0 205 -0.5 0 0.0 0 0.0 0 0.0 8 30
179 A 183 GLY G S S S- 0 0 106.4 174.4 -177.7 -84.5 74.1 112.7 0 0.0 176 -0.5 0 0.0 0 0.0 8 34
180 A 184 SER S g > T - 0 0 -120.7 153.6 179.5 -119.7 28.1 150.6 0 0.0 183 -1.9 0 0.0 0 0.0 10 39
181 A 185 TYR Y G G > TS+ 0 0 -64.8 -18.6 178.5 77.5 106.6 46.1 0 0.0 184 -1.6 0 0.0 0 0.0 10 50
182 A 186 GLN Q G G 3 TS+ 0 0 -63.1 -16.3 -178.6 44.3 98.6 49.7 0 0.0 0 0.0 0 0.0 0 0.0 7 43
183 A 187 ASP D G e < TS+ 0 0 -113.9 12.5 -178.5 123.6 83.5 73.3 180 -1.9 199 -2.6 0 0.0 0 0.0 9 39
184 A 188 VAL V E E DF < T + 198 0 -72.6 141.8 174.6 171.5 26.8 120.1 181 -1.6 0 0.0 0 0.0 0 0.0 12 47
185 A 189 VAL V E E D* - 0 0 -119.9 -19.9 -179.1 -0.8 63.6 57.2 197 -3.8 0 0.0 0 0.0 0 0.0 11 43
186 A 190 ALA A E E DF - 197 0 -166.1 162.3 -179.6 -144.3 51.5 169.0 197 -1.4 197 -3.4 0 0.0 0 0.0 9 50
187 A 191 PHE F E E DF + 196 0 -131.6 143.7 177.4 174.0 19.9 163.4 0 0.0 0 0.0 0 0.0 0 0.0 11 57
188 A 192 LYS K E E DF - 195 0 -152.7 148.4 -178.8 -123.9 29.8 171.5 195 -2.0 195 -2.6 0 0.0 190 -0.7 11 49
189 A 193 VAL V E E DF + 194 0 -99.6 114.0 -179.5 175.1 33.4 153.0 219 -3.5 0 0.0 0 0.0 0 0.0 13 43
190 A 194 VAL V E E DF > T - 193 0 -126.4 120.0 177.4 -17.9 64.6 166.6 193 -2.4 193 -1.2 188 -0.7 0 0.0 9 34
191 A 195 ASP D T T 3 TS- 0 0 54.9 47.5 178.0 -52.3 127.1 25.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
192 A 196 LYS K T T 3 TS+ 0 0 68.3 16.9 -177.1 106.4 119.0 55.5 0 0.0 0 0.0 0 0.0 0 0.0 8 36
193 A 197 GLN Q E E DF < TS- 190 0 -127.4 152.0 176.3 -108.2 74.2 160.4 190 -1.2 190 -2.4 0 0.0 0 0.0 10 42
194 A 198 LEU L E E DF - 189 0 -80.0 124.2 179.1 -167.6 31.9 128.8 0 0.0 196 -0.5 0 0.0 0 0.0 12 53
195 A 199 ARG R E E DF - 188 0 -113.7 120.4 -175.2 -162.8 2.8 157.9 188 -2.6 188 -2.0 0 0.0 197 -0.6 12 52
196 A 200 ILE I E E DFG - 187 204 -109.5 127.3 179.4 -151.0 4.6 152.6 204 -2.6 204 -3.7 194 -0.5 0 0.0 12 56
197 A 201 GLN Q E E DFG - 186 203 -103.5 138.7 -179.8 -150.0 12.1 145.8 186 -3.4 185 -3.8 195 -0.6 186 -1.4 12 39
198 A 202 LEU L E E DF > T - 184 0 -100.5 166.4 179.8 -105.2 28.9 119.0 202 -2.9 201 -1.7 0 0.0 0 0.0 13 33
199 A 203 LYS K T e 3 TS+ 0 0 -54.1 -40.2 178.4 58.7 117.0 30.9 183 -2.6 0 0.0 0 0.0 0 0.0 8 24
200 A 204 ASN N T T 3 TS- 0 0 -69.6 -11.0 179.3 -105.3 120.6 51.0 0 0.0 0 0.0 0 0.0 0 0.0 4 19
201 A 205 GLY G S t < TS+ 0 0 105.0 -15.7 -179.8 128.5 81.6 76.0 198 -1.7 0 0.0 0 0.0 0 0.0 6 23
202 A 206 LYS K e - 0 0 -71.2 154.4 -178.7 -142.8 48.9 106.4 0 0.0 198 -2.9 0 0.0 0 0.0 7 24
203 A 207 GLU E E E DG + 197 0 -124.7 134.9 -178.4 168.7 23.6 162.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
204 A 208 THR T E E DG - 196 0 -128.1 -164.0 179.3 -134.7 20.3 125.2 196 -3.7 196 -2.6 0 0.0 0 0.0 12 36
205 A 209 THR T - 0 0 -141.7 -179.7 178.2 -75.1 38.5 146.9 0 0.0 177 -4.0 0 0.0 178 -0.5 12 41
206 A 210 LEU L B B A - 176 0 -80.9 144.4 176.7 -127.3 33.4 125.4 0 0.0 0 0.0 0 0.0 0 0.0 13 44
207 A 211 ARG R S S S+ 0 0 -58.9 -26.7 178.9 35.5 111.0 36.3 175 -3.5 0 0.0 0 0.0 0 0.0 9 29
208 A 212 THR T S g > TS- 0 0 -132.5 93.8 -174.4 -166.9 75.7 147.0 175 -0.5 211 -2.5 0 0.0 0 0.0 8 32
209 A 213 PRO P G G > TS+ 0 0 -53.5 -30.3 178.3 70.2 81.2 43.8 0 0.0 212 -1.6 0 0.0 0 0.0 9 35
210 A 214 ALA A G G 3 TS+ 0 0 -66.0 -11.3 179.5 77.5 81.2 49.6 0 0.0 0 0.0 0 0.0 0 0.0 5 35
211 A 215 GLN Q G e < TS+ 0 0 -69.1 -19.3 178.1 85.7 77.2 46.5 208 -2.5 228 -1.7 0 0.0 213 -0.7 10 41
212 A 216 PHE F E E CH < T + 227 0 -85.5 115.8 -177.0 159.7 51.2 137.2 209 -1.6 0 0.0 0 0.0 0 0.0 13 51
213 A 217 VAL V E E C* - 0 0 -109.5 -36.0 -176.8 -44.7 51.3 39.6 226 -2.3 306 -2.3 211 -0.7 0 0.0 10 51
214 A 218 GLY G E E CHI - 226 305 -177.0 -169.0 -175.5 -153.1 43.6 165.0 226 -1.9 226 -2.9 0 0.0 0 0.0 12 50
215 A 219 TYR Y E E CHI - 225 304 -171.6 177.4 176.8 -114.2 17.3 164.9 304 -2.4 304 -3.4 0 0.0 0 0.0 14 52
216 A 220 ARG R E E CH S+ 224 0 -131.4 153.1 -178.7 10.0 70.1 158.5 224 -1.8 223 -2.6 0 0.0 224 -1.2 11 42
217 A 221 GLY G S S S- 0 0 76.5 -164.4 178.6 -6.2 108.5 103.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
218 A 222 ASP D t > T - 0 0 -64.6 131.6 177.7 -134.8 58.5 114.3 0 0.0 221 -2.3 0 0.0 0 0.0 7 33
219 A 223 ALA A T T 3 TS+ 0 0 -56.9 -23.3 -177.3 59.6 107.9 41.3 0 0.0 189 -3.5 0 0.0 0 0.0 10 36
220 A 224 ALA A T T 3 TS+ 0 0 -81.2 -15.5 -177.3 7.4 129.1 43.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
221 A 225 ALA A S t < TS- 0 0 -160.9 68.6 -174.1 -159.5 85.5 113.9 218 -2.3 0 0.0 0 0.0 0 0.0 10 35
222 A 226 PRO P - 0 0 -62.7 149.9 179.4 -145.4 16.9 97.9 0 0.0 0 0.0 0 0.0 0 0.0 14 45
223 A 227 THR T S e S+ 0 0 -83.1 -24.5 178.0 11.9 85.8 46.7 216 -2.6 238 -2.3 0 0.0 0 0.0 11 44
224 A 228 CYS C E E CHJ - 216 237 -158.1 146.8 -177.7 -145.9 64.7 174.9 216 -1.2 216 -1.8 0 0.0 0 0.0 11 51
225 A 229 ILE I E E CHJ - 215 236 -117.6 124.5 178.1 -154.2 12.1 166.2 236 -2.3 236 -2.1 0 0.0 227 -0.6 12 66
226 A 230 LEU L E E CHJ + 214 235 -103.7 120.7 177.8 169.7 19.7 149.7 214 -2.9 213 -2.3 0 0.0 214 -1.9 12 62
227 A 231 LEU L E E CHJ - 212 234 -118.2 170.7 -178.0 -158.1 13.6 136.8 234 -3.0 234 -2.0 225 -0.6 0 0.0 11 64
228 A 232 LYS K E E C J + 0 233 -153.6 135.2 179.3 175.2 11.0 169.0 211 -1.7 0 0.0 0 0.0 0 0.0 11 55
229 A 233 ASN N E E C J> TS- 0 232 -145.9 143.3 -176.0 -0.3 72.4 176.2 232 -3.2 232 -3.1 0 0.0 0 0.0 11 47
230 A 234 ASN N T T 3 TS- 0 0 48.6 31.0 179.5 -58.8 131.5 37.8 0 0.0 0 0.0 0 0.0 0 0.0 8 50
231 A 235 GLY G T T 3 TS+ 0 0 83.8 -5.5 -178.8 111.1 116.8 67.7 0 0.0 0 0.0 0 0.0 0 0.0 8 49
232 A 236 LEU L E E CJ < T - 229 0 -106.2 140.8 179.6 -130.2 60.6 150.6 229 -3.1 229 -3.2 0 0.0 0 0.0 14 64
233 A 237 HIS H E E CJ - 228 0 -88.6 158.5 174.6 -171.0 17.4 119.4 0 0.0 258 -2.4 0 0.0 0 0.0 10 67
234 A 238 ILE I E E CJK - 227 257 -140.7 132.9 174.9 -157.1 8.2 171.4 227 -2.0 227 -3.0 0 0.0 0 0.0 12 66
235 A 239 GLU E E E CJK - 226 256 -120.5 140.8 171.1 -154.1 8.5 164.8 256 -2.8 256 -2.5 0 0.0 237 -0.5 11 62
236 A 240 LEU L E E CJK - 225 255 -101.5 122.1 177.8 -152.4 16.5 149.1 225 -2.1 225 -2.3 0 0.0 238 -0.6 12 64
237 A 241 GLN Q E E CJK - 224 254 -104.3 118.9 -176.5 -158.6 6.8 156.0 254 -2.9 253 -4.4 235 -0.5 254 -1.6 12 56
238 A 242 ILE I E E C K + 0 252 -101.1 113.6 176.8 147.9 26.8 151.2 223 -2.3 0 0.0 236 -0.6 0 0.0 13 48
239 A 243 ASP D e > T - 0 0 -150.7 109.2 -178.3 -168.9 27.9 150.4 251 -2.4 242 -1.3 0 0.0 0 0.0 11 33
240 A 244 ALA A T T 3 TS+ 0 0 -71.2 -15.0 179.7 53.1 93.1 47.5 0 0.0 0 0.0 0 0.0 0 0.0 11 26
241 A 245 ASN N T T 3 TS+ 0 0 -98.7 0.9 -179.0 108.9 86.0 69.1 0 0.0 0 0.0 0 0.0 0 0.0 6 19
242 A 246 GLY G S t > < TS- 0 0 -78.7 157.3 179.4 -114.4 81.5 117.6 239 -1.3 246 -3.7 0 0.0 0 0.0 8 25
243 A 247 ARG R T T 4 TS+ 0 0 -58.7 -33.4 176.8 25.3 119.5 33.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
244 A 248 ILE I T g > > TS+ 0 0 -94.6 -44.4 -178.0 55.1 122.0 30.0 0 0.0 247 -1.5 0 0.0 248 -0.7 10 38
245 A 249 GLY G G G 4 > TS+ 0 0 -51.2 -41.2 -177.0 69.2 94.5 33.7 0 0.0 248 -1.3 0 0.0 0 0.0 15 36
246 A 250 LYS K G G < 3 TS+ 0 0 -49.2 -39.2 -176.4 35.2 109.4 33.2 242 -3.7 0 0.0 0 0.0 0 0.0 11 25
247 A 251 ASP D G G 4 < TS+ 0 0 -101.4 1.8 178.8 103.9 92.8 61.6 244 -1.5 0 0.0 0 0.0 0 0.0 8 33
248 A 252 ASP D g < X T - 0 0 -84.6 137.2 178.6 -135.1 69.5 131.9 245 -1.3 251 -1.3 244 -0.7 0 0.0 10 41
249 A 253 PRO P T T 3 TS+ 0 0 -57.7 -28.9 178.5 35.1 113.3 40.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
250 A 254 ALA A T T 3 TS- 0 0 -104.8 4.1 -177.3 -119.6 113.3 68.2 0 0.0 0 0.0 0 0.0 0 0.0 9 48
251 A 255 HIS H e < T + 0 0 64.5 19.3 177.3 167.7 52.0 45.6 248 -1.3 239 -2.4 0 0.0 0 0.0 13 43
252 A 256 ILE I E E C K + 0 238 -64.1 114.6 -178.3 177.0 10.6 121.9 0 0.0 0 0.0 0 0.0 0 0.0 14 54
253 A 257 ASN N E E C * - 0 0 -95.0 -30.0 179.4 -5.0 58.6 39.6 237 -4.4 0 0.0 0 0.0 0 0.0 15 46
254 A 258 ASP D E E C K - 0 237 -158.3 161.3 177.5 -141.4 50.9 173.7 237 -1.6 237 -2.9 0 0.0 0 0.0 12 52
255 A 259 VAL V E E C K - 0 236 -129.8 115.3 -176.1 -166.6 22.8 172.4 0 0.0 135 -2.9 0 0.0 136 -0.9 12 59
256 A 260 ILE I E E CEK - 134 235 -108.3 133.5 178.0 -159.0 2.6 156.7 235 -2.5 235 -2.8 0 0.0 0 0.0 13 59
257 A 261 VAL V E E CEK - 133 234 -116.1 144.8 173.1 -120.6 26.3 152.6 133 -3.3 133 -2.9 0 0.0 259 -0.5 14 65
258 A 262 GLU E E E CE + 132 0 -72.8 117.0 -170.1 155.9 55.6 135.3 233 -2.4 0 0.0 0 0.0 0 0.0 13 68
259 A 263 ALA A e + 0 0 -116.3 -85.2 179.5 43.3 44.8 48.2 131 -3.3 261 -1.7 257 -0.5 0 0.0 17 67
260 A 264 ALA A - 0 0 -78.3 93.2 179.5 -179.0 58.1 124.4 130 -2.3 0 0.0 0 0.0 0 0.0 18 69
261 A 265 ILE I e + 0 0 -57.7 -38.9 178.3 3.9 69.7 34.7 259 -1.7 318 -2.6 113 -0.8 0 0.0 15 74
262 A 266 SER S E E Bcl - 114 318 -145.2 163.5 -179.8 -154.0 66.7 166.2 113 -1.1 115 -1.9 0 0.0 0 0.0 13 76
263 A 267 THR T E E Bcl - 115 319 -142.5 142.2 176.6 -137.1 12.7 179.2 318 -3.2 320 -3.7 0 0.0 265 -0.7 15 76
264 A 268 ILE I E E Bcl - 116 320 -101.2 114.5 176.9 -149.4 13.1 150.6 115 -3.1 117 -2.4 0 0.0 266 -1.0 13 74
265 A 269 LEU L E E Bcl - 117 321 -77.4 107.7 -175.0 -140.4 31.0 134.2 320 -4.2 322 -2.1 263 -0.7 0 0.0 14 71
266 A 270 ASP D E E Bcl + 118 322 -85.3 136.0 173.1 162.6 42.8 125.7 117 -4.8 119 -2.7 264 -1.0 0 0.0 14 68
267 A 271 CYS C S e S+ 0 0 -109.0 -7.1 -171.0 60.7 71.3 69.0 322 -1.9 0 0.0 0 0.0 0 0.0 13 67
268 A 272 GLU E S t > TS- 0 0 -95.1 -117.6 -174.4 -2.1 107.2 53.6 0 0.0 271 -1.8 0 0.0 0 0.0 10 69
269 A 273 ASP D T T 3 TS+ 0 0 -56.3 -22.0 -179.4 52.0 125.6 53.6 0 0.0 600 -1.5 0 0.0 0 0.0 10 65
270 A 274 SER S T T 3 TS+ 0 0 -98.5 5.1 -179.4 71.4 101.2 62.4 0 0.0 0 0.0 0 0.0 0 0.0 13 64
271 A 275 VAL V t < T - 0 0 -118.7 151.3 176.2 -147.1 66.5 148.5 268 -1.8 273 -0.5 0 0.0 0 0.0 12 61
272 A 276 ALA A + 0 0 -114.7 108.0 -175.8 148.7 37.6 167.1 0 0.0 0 0.0 0 0.0 0 0.0 10 59
273 A 277 ALA A + 0 0 -149.9 112.3 -172.4 154.9 8.0 153.0 271 -0.5 0 0.0 0 0.0 0 0.0 8 61
274 A 278 VAL V + 0 0 -124.7 3.6 -179.1 33.7 57.5 67.0 0 0.0 0 0.0 0 0.0 0 0.0 10 54
275 A 279 ASP D S h > TS- 0 0 -154.2 179.3 -177.7 -85.5 86.9 158.8 0 0.0 279 -2.6 0 0.0 0 0.0 9 51
276 A 280 ALA A H H > TS+ 0 0 -57.8 -38.2 178.6 51.5 122.4 33.1 330 -0.6 280 -1.3 0 0.0 0 0.0 11 44
277 A 281 GLU E H H > TS+ 0 0 -66.7 -45.6 177.0 48.0 110.6 20.6 0 0.0 281 -1.7 0 0.0 0 0.0 8 35
278 A 282 ASP D H H > TS+ 0 0 -58.7 -50.3 -179.8 49.3 111.4 19.5 0 0.0 282 -2.0 0 0.0 0 0.0 10 47
279 A 283 LYS K H H X TS+ 0 0 -61.7 -28.7 -178.1 58.1 106.3 36.2 275 -2.6 283 -2.7 0 0.0 0 0.0 10 61
280 A 284 ILE I H H X TS+ 0 0 -68.4 -46.7 177.2 45.3 107.3 15.8 276 -1.3 284 -2.3 0 0.0 0 0.0 10 45
281 A 285 LEU L H H X TS+ 0 0 -56.8 -48.0 177.2 49.6 115.5 22.5 277 -1.7 285 -2.1 0 0.0 0 0.0 8 43
282 A 286 LEU L H H X TS+ 0 0 -55.4 -56.0 -179.6 44.7 112.2 19.5 278 -2.0 286 -1.8 0 0.0 0 0.0 10 56
283 A 287 TYR Y H H X TS+ 0 0 -62.2 -33.1 178.6 57.8 109.8 36.8 279 -2.7 287 -2.4 0 0.0 0 0.0 9 62
284 A 288 ARG R H H X TS+ 0 0 -65.5 -39.0 176.8 50.8 104.1 24.4 280 -2.3 288 -2.8 0 0.0 0 0.0 8 50
285 A 289 ASN N H H X TS+ 0 0 -62.0 -46.2 179.7 49.2 110.6 17.8 281 -2.1 289 -2.2 0 0.0 0 0.0 12 53
286 A 290 LEU L H H < TS+ 0 0 -57.3 -42.2 178.1 52.0 109.9 28.6 282 -1.8 0 0.0 0 0.0 0 0.0 10 65
287 A 291 LEU L H H < TS+ 0 0 -56.6 -52.8 179.6 50.8 108.1 20.3 283 -2.4 0 0.0 0 0.0 0 0.0 11 57
288 A 292 GLY G H H < T 0 0 -52.7 -44.2 179.9 999.9 999.9 24.4 284 -2.8 293 -1.9 0 0.0 292 -1.4 10 48
289!A 293 LEU L h < T 0 0 -65.7 999.9 999.9 999.9 999.9 21.9 285 -2.2 291 -0.7 0 0.0 0 0.0 8 63
290!A 295 GLN Q 0 0 999.9 -11.5 178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 44
291 A 296 GLY G + 0 0 78.8 8.5 179.9 110.1 999.9 55.5 289 -0.7 0 0.0 0 0.0 0 0.0 7 46
292 A 297 THR T + 0 0 -89.3 -23.4 -177.9 125.2 34.4 49.9 288 -1.4 0 0.0 0 0.0 0 0.0 8 35
293 A 298 LEU L 0 0 -47.6 128.3 176.2 999.9 999.9 95.1 288 -1.9 297 -0.6 0 0.0 0 0.0 12 38
294!A 299 GLN Q 0 0 -167.6 999.9 999.9 999.9 999.9 86.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
295!A 311 ARG R 0 0 999.9 97.4 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
296 A 312 LYS K - 0 0 -139.8 173.2 179.1 -66.2 999.9 149.9 0 0.0 0 0.0 0 0.0 0 0.0 7 31
297 A 313 LEU L - 0 0 -65.6 141.8 179.0 -112.3 57.7 111.6 293 -0.6 0 0.0 0 0.0 0 0.0 12 39
298 A 314 ASN N - 0 0 -75.5 155.6 179.4 -123.1 25.3 114.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
299 A 315 ASP D - 0 0 -86.6 171.5 177.5 -86.1 37.7 108.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
300 A 316 ASP D - 0 0 -75.2 166.7 -175.9 -111.9 43.9 106.9 0 0.0 302 -0.5 0 0.0 0 0.0 9 32
301 A 317 ARG R E E C M - 0 313 -110.5 130.2 -176.7 -160.8 28.8 153.2 313 -3.3 313 -2.5 0 0.0 0 0.0 8 40
302 A 318 HIS H E E C M + 0 312 -112.8 145.5 -179.3 157.7 16.6 148.5 300 -0.5 0 0.0 0 0.0 0 0.0 8 34
303 A 319 TYR Y E E C M - 0 311 -148.4 176.9 173.7 -100.4 43.9 155.5 311 -3.4 311 -2.6 0 0.0 305 -0.5 10 38
304 A 320 THR T E E CIM - 215 310 -102.4 125.2 -179.8 -127.3 45.2 156.3 215 -3.4 215 -2.4 0 0.0 0 0.0 12 37
305 A 321 ALA A E E CI > T - 214 0 -67.1 160.8 178.7 -101.4 27.1 106.2 309 -3.7 308 -2.7 303 -0.5 0 0.0 11 39
306 A 322 ALA A T e 3 TS+ 0 0 -49.5 -42.2 179.7 51.6 123.6 30.9 213 -2.3 0 0.0 0 0.0 0 0.0 12 44
307 A 323 ASP D T T 3 TS- 0 0 -81.6 15.4 179.4 -95.6 126.2 78.0 0 0.0 0 0.0 0 0.0 0 0.0 7 31
308 A 324 GLY G S t < TS+ 0 0 96.0 -19.6 179.6 124.4 83.5 73.8 305 -2.7 0 0.0 0 0.0 0 0.0 7 29
309 A 325 SER S e - 0 0 -75.9 174.7 178.7 -100.3 65.4 101.4 0 0.0 305 -3.7 0 0.0 311 -0.5 7 24
310 A 326 GLU E E E CM + 304 0 -93.4 122.9 177.0 175.8 43.2 142.0 0 0.0 0 0.0 0 0.0 0 0.0 8 23
311 A 327 ILE I E E CM - 303 0 -129.7 155.8 179.2 -162.5 14.2 160.3 303 -2.6 303 -3.4 309 -0.5 0 0.0 8 28
312 A 328 SER S E E CM - 302 0 -131.9 148.4 178.8 -154.2 6.2 161.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
313 A 329 LEU L E E CM - 301 0 -124.4 138.8 178.3 -92.8 37.4 165.6 301 -2.5 301 -3.3 0 0.0 0 0.0 7 51
314 A 330 HIS H - 0 0 -51.9 127.0 -175.2 -154.2 32.0 104.3 0 0.0 0 0.0 0 0.0 0 0.0 8 48
315 A 331 GLY G + 0 0 -81.7 -21.4 -176.7 55.6 67.6 43.6 0 0.0 0 0.0 0 0.0 0 0.0 11 47
316 A 332 ARG R S S S- 0 0 -115.7 160.0 177.3 -98.0 88.6 135.1 0 0.0 0 0.0 0 0.0 0 0.0 14 60
317 A 333 SER S - 0 0 -68.8 147.6 177.1 -98.6 51.0 114.5 128 -3.3 0 0.0 0 0.0 0 0.0 14 66
318 A 334 LEU L E E Bl - 262 0 -67.6 119.4 -174.2 -134.0 47.6 125.0 261 -2.6 263 -3.2 0 0.0 0 0.0 11 76
319 A 335 LEU L E E Bl + 263 0 -87.8 125.8 175.2 177.2 27.7 131.7 0 0.0 0 0.0 0 0.0 0 0.0 11 78
320 A 336 PHE F E E Bl - 264 0 -115.4 161.3 179.2 -137.3 20.1 144.0 263 -3.7 265 -4.2 0 0.0 0 0.0 12 80
321 A 337 ILE I E E Bln - 265 370 -126.5 127.1 176.4 -151.4 3.6 168.3 369 -2.3 371 -3.8 0 0.0 323 -0.8 12 67
322 A 338 ARG R E E Bln - 266 371 -95.2 104.7 178.7 -166.9 18.8 146.7 265 -2.1 267 -1.9 0 0.0 0 0.0 13 65
323 A 339 ASN N e - 0 0 -80.3 167.6 173.6 -93.8 30.0 115.1 371 -1.6 0 0.0 321 -0.8 0 0.0 14 61
324 A 340 VAL V - 0 0 -76.4 163.8 -179.5 -112.7 45.2 111.6 0 0.0 0 0.0 0 0.0 0 0.0 11 64
325 A 341 GLY G - 0 0 -85.6 -168.6 -173.3 -77.9 38.3 92.6 0 0.0 0 0.0 0 0.0 0 0.0 10 63
326 A 342 HIS H 0 0 -69.5 -16.5 -174.3 999.9 999.9 54.6 0 0.0 0 0.0 0 0.0 0 0.0 9 62
327!A 343 LEU L 0 0 -64.3 999.9 999.9 999.9 999.9 17.4 0 0.0 0 0.0 0 0.0 0 0.0 7 57
328!A 345 THR T 0 0 999.9 163.0 -177.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 50
329 A 346 ILE I t > T - 0 0 -143.4 142.2 -176.1 -123.1 999.9 173.7 340 -2.7 331 -2.1 0 0.0 332 -1.1 10 52
330 A 347 PRO P T T 3 TS+ 0 0 -82.0 72.8 -179.9 90.5 87.7 119.1 0 0.0 276 -0.6 0 0.0 0 0.0 10 45
331 A 348 VAL V T e 3 TS+ 0 0 -130.2 -42.8 176.0 23.0 95.8 61.4 329 -2.1 11 -2.8 0 0.0 0 0.0 11 51
332 A 349 ILE I E E AB < T - 10 0 -132.9 137.4 173.1 -161.5 62.8 173.0 329 -1.1 340 -2.8 0 0.0 0 0.0 11 55
333 A 350 TRP W E E ABB - 9 339 -113.1 135.3 -176.9 -135.6 22.7 160.2 9 -2.6 9 -1.9 0 0.0 0 0.0 13 44
334 A 351 ASP D t > T - 0 0 -83.3 -173.3 -179.3 -73.9 37.0 94.0 338 -2.8 337 -2.6 0 0.0 0 0.0 14 41
335 A 352 SER S T T 3 TS+ 0 0 -46.0 -42.1 -176.6 40.0 134.3 33.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
336 A 353 GLU E T T 3 TS- 0 0 -95.5 1.2 -178.9 -100.8 122.9 73.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
337 A 354 GLY G S t < TS+ 0 0 89.7 10.0 178.8 138.5 74.8 54.6 334 -2.6 0 0.0 0 0.0 0 0.0 6 28
338 A 355 ASN N - 0 0 -92.5 150.5 176.8 -105.6 58.8 137.4 0 0.0 334 -2.8 0 0.0 0 0.0 7 35
339 A 356 GLU E B B B - 333 0 -63.0 150.2 -178.3 -98.8 46.0 107.3 0 0.0 0 0.0 0 0.0 0 0.0 11 42
340 A 357 ILE I - 0 0 -70.3 147.1 175.3 -103.3 37.5 109.0 332 -2.8 329 -2.7 0 0.0 0 0.0 15 52
341 A 358 PRO P h > > T - 0 0 -70.7 128.7 -173.7 -135.5 30.7 124.8 0 0.0 345 -2.0 0 0.0 344 -0.8 12 55
342 A 359 GLU E H H > 3 TS+ 0 0 -57.6 -36.8 -179.8 54.9 99.6 32.0 0 0.0 346 -2.3 0 0.0 0 0.0 12 61
343 A 360 GLY G H H > 3 TS+ 0 0 -68.4 -28.3 179.3 52.3 106.7 38.9 0 0.0 347 -1.9 0 0.0 0 0.0 12 59
344 A 361 ILE I H H > < TS+ 0 0 -74.0 -40.4 177.8 48.3 110.1 25.2 341 -0.8 348 -2.5 0 0.0 0 0.0 10 65
345 A 362 LEU L H H < TS+ 0 0 -60.6 -44.7 -178.8 49.0 113.0 20.5 341 -2.0 0 0.0 0 0.0 0 0.0 8 72
346 A 363 ASP D H H < TS+ 0 0 -58.9 -48.9 -175.4 49.1 110.6 26.8 342 -2.3 0 0.0 0 0.0 0 0.0 9 70
347 A 364 GLY G H H < T 0 0 -63.1 -45.7 -178.7 999.9 999.9 17.9 343 -1.9 350 -2.4 0 0.0 0 0.0 11 68
348!A 365 VAL V h < T 0 0 -63.3 999.9 999.9 999.9 999.9 17.0 344 -2.5 351 -2.2 0 0.0 0 0.0 9 74
349!A 367 THR T h > T 0 0 999.9 -41.3 179.2 999.9 999.9 999.9 0 0.0 353 -2.1 0 0.0 0 0.0 9 67
350 A 368 GLY G H H > T + 0 0 -63.9 -45.5 -179.2 51.5 999.9 19.1 347 -2.4 354 -1.0 0 0.0 0 0.0 12 65
351 A 369 ALA A H H 4 > TS+ 0 0 -57.7 -46.6 -179.0 45.3 112.4 23.3 348 -2.2 354 -0.6 0 0.0 0 0.0 11 62
352 A 370 ILE I H H 4 > TS+ 0 0 -67.3 -36.3 -175.2 56.6 108.5 24.2 0 0.0 355 -1.3 0 0.0 0 0.0 10 66
353 A 371 ALA A H H X 3 TS+ 0 0 -71.8 -14.0 179.9 84.1 84.0 52.3 349 -2.1 357 -1.7 0 0.0 0 0.0 10 63
354 A 372 LEU L H H X < TS+ 0 0 -59.5 -27.8 175.6 60.9 83.8 36.0 350 -1.0 358 -0.9 351 -0.6 0 0.0 9 55
355 A 373 TYR Y H H > X TS+ 0 0 -62.1 -52.4 179.6 48.3 103.4 8.6 352 -1.3 359 -2.3 0 0.0 358 -2.0 11 46
356 A 374 ASP D H H > 3 TS+ 0 0 -60.6 -29.2 -177.9 62.3 102.3 33.9 0 0.0 360 -2.1 0 0.0 0 0.0 12 46
357 A 375 LEU L H H < 3 TS+ 0 0 -69.5 -18.6 -178.9 39.7 111.1 35.3 353 -1.7 0 0.0 0 0.0 0 0.0 10 45
358 A 376 LYS K H H < < TS+ 0 0 -84.4 -48.6 -178.2 30.9 127.5 21.7 355 -2.0 0 0.0 354 -0.9 0 0.0 6 32
359 A 377 VAL V H H < TS- 0 0 -73.9 -48.0 -178.2 -153.3 82.3 31.1 355 -2.3 0 0.0 0 0.0 0 0.0 7 27
360 A 378 GLN Q h < T + 0 0 61.4 48.4 177.3 138.7 46.4 24.0 356 -2.1 0 0.0 0 0.0 0 0.0 10 38
361 A 379 LYS K S S S+ 0 0 -89.6 -21.1 175.4 25.2 82.6 52.6 0 0.0 0 0.0 0 0.0 0 0.0 8 47
362 A 380 ASN N S S S+ 0 0 -103.5 -78.3 -179.9 27.4 130.4 36.6 0 0.0 0 0.0 0 0.0 0 0.0 8 62
363 A 381 SER S - 0 0 -87.1 141.4 177.4 -171.6 55.0 131.4 0 0.0 0 0.0 0 0.0 0 0.0 12 50
364 A 382 ARG R S S S+ 0 0 -108.2 -0.5 -176.0 61.5 83.4 70.1 0 0.0 0 0.0 0 0.0 0 0.0 8 41
365 A 383 THR T S S S- 0 0 -106.6 3.0 -178.5 -105.7 114.2 71.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
366 A 384 GLY G S S S+ 0 0 77.8 25.0 179.7 132.6 75.9 37.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
367 A 385 SER S - 0 0 -109.1 158.8 174.3 -158.2 42.5 137.8 0 0.0 0 0.0 0 0.0 0 0.0 13 56
368 A 386 VAL V E E Bo - 399 0 -127.2 138.2 -174.5 -148.3 16.5 161.3 398 -2.3 400 -3.0 0 0.0 370 -0.6 11 70
369 A 387 TYR Y E E Bo - 400 0 -119.1 114.0 -178.7 -179.0 16.3 160.0 0 0.0 321 -2.3 0 0.0 371 -0.5 11 77
370 A 388 ILE I E E Bn - 321 0 -115.3 130.4 179.2 -143.9 18.4 160.2 400 -3.3 372 -0.5 368 -0.6 0 0.0 11 69
371 A 389 VAL V E E Bn - 322 0 -89.6 125.8 179.7 -157.2 12.7 141.9 321 -3.8 323 -1.6 369 -0.5 0 0.0 11 67
372 A 390 LYS K - 0 0 -109.5 111.0 -176.9 -166.4 15.3 154.3 401 -3.7 0 0.0 370 -0.5 0 0.0 11 65
373 A 391 PRO P 0 0 -93.4 166.8 174.2 999.9 999.9 109.1 0 0.0 0 0.0 0 0.0 0 0.0 10 70
374!A 392 LYS K 0 0 48.0 999.9 999.9 999.9 999.9 46.7 0 0.0 0 0.0 0 0.0 0 0.0 9 67
375!A 394 HIS H 0 0 999.9 97.6 175.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 11 65
376 A 395 GLY G h > T - 0 0 88.3 168.0 -172.7 -62.5 999.9 92.8 0 0.0 380 -1.4 0 0.0 0 0.0 10 58
377 A 396 PRO P H H > TS+ 0 0 -66.3 -37.1 178.2 58.4 124.7 36.6 0 0.0 381 -3.2 0 0.0 0 0.0 14 50
378 A 397 GLN Q H H > TS+ 0 0 -62.5 -36.8 178.4 49.2 107.2 28.1 0 0.0 382 -1.9 0 0.0 0 0.0 9 48
379 A 398 GLU E H H > TS+ 0 0 -70.6 -32.1 178.1 49.3 111.3 29.9 0 0.0 383 -1.8 0 0.0 0 0.0 9 58
380 A 399 VAL V H H X TS+ 0 0 -69.8 -42.7 179.4 51.9 108.8 21.4 376 -1.4 384 -2.5 0 0.0 0 0.0 13 62
381 A 400 ALA A H H X TS+ 0 0 -55.7 -39.7 177.9 56.6 106.4 25.1 377 -3.2 385 -2.8 0 0.0 0 0.0 11 43
382 A 401 PHE F H H X TS+ 0 0 -56.3 -48.8 -179.8 46.3 107.1 21.6 378 -1.9 386 -2.8 0 0.0 0 0.0 9 50
383 A 402 ALA A H H X TS+ 0 0 -60.2 -41.0 179.1 54.4 111.1 27.6 379 -1.8 387 -3.2 0 0.0 0 0.0 9 67
384 A 403 ASN N H H X TS+ 0 0 -55.2 -47.4 177.3 47.1 109.0 25.5 380 -2.5 388 -2.2 0 0.0 0 0.0 10 55
385 A 404 LYS K H H X TS+ 0 0 -60.2 -55.1 178.3 51.1 111.3 17.3 381 -2.8 389 -2.6 0 0.0 0 0.0 8 46
386 A 405 LEU L H H X TS+ 0 0 -50.5 -48.4 -179.7 47.9 111.6 24.0 382 -2.8 390 -2.5 0 0.0 0 0.0 12 60
387 A 406 PHE F H H X TS+ 0 0 -64.5 -38.8 178.7 53.9 108.4 26.7 383 -3.2 391 -2.2 0 0.0 0 0.0 10 61
388 A 407 THR T H H X TS+ 0 0 -58.7 -43.1 178.7 46.3 111.7 14.6 384 -2.2 392 -1.6 0 0.0 0 0.0 10 43
389 A 408 ARG R H H < TS+ 0 0 -67.2 -37.7 178.2 53.2 108.6 38.9 385 -2.6 0 0.0 0 0.0 0 0.0 8 43
390 A 409 ILE I H H < TS+ 0 0 -67.2 -40.4 -178.0 52.8 107.4 21.5 386 -2.5 0 0.0 0 0.0 0 0.0 11 51
391 A 410 GLU E H H < T 0 0 -58.5 -42.1 178.2 999.9 999.9 24.7 387 -2.2 394 -0.6 0 0.0 0 0.0 13 43
392!A 411 THR T h < T 0 0 -62.5 999.9 999.9 999.9 999.9 24.4 388 -1.6 0 0.0 0 0.0 0 0.0 8 33
393!A 413 LEU L 0 0 999.9 -9.5 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 51
394!A 414 GLY G 0 0 68.8 999.9 999.9 999.9 999.9 28.6 391 -0.6 0 0.0 0 0.0 0 0.0 4 36
395!A 416 ALA A t > T 0 0 999.9 153.1 -180.0 999.9 999.9 999.9 0 0.0 398 -1.6 0 0.0 0 0.0 6 31
396 A 417 PRO P T T 3 T + 0 0 -67.5 140.8 180.0 19.7 999.9 112.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
397 A 418 ASN N T T 3 TS+ 0 0 75.9 13.8 178.4 127.3 81.6 55.6 0 0.0 0 0.0 0 0.0 0 0.0 10 44
398 A 419 THR T e < T + 0 0 -64.7 -33.4 -179.7 73.5 59.6 32.4 395 -1.6 368 -2.3 0 0.0 400 -1.1 11 55
399 A 420 LEU L E E Bo 368 0 -84.7 102.5 177.2 999.9 999.9 133.4 0 0.0 0 0.0 0 0.0 0 0.0 12 65
400!A 421 LYS K E E Bo 369 0 -82.1 999.9 999.9 999.9 999.9 125.9 368 -3.0 370 -3.3 398 -1.1 0 0.0 11 68
401!A 423 GLY G 0 0 999.9 115.1 179.7 999.9 999.9 999.9 0 0.0 372 -3.7 0 0.0 0 0.0 11 74
402!A 424 ILE I B B c 426 0 -96.1 999.9 999.9 999.9 999.9 145.8 425 -2.8 427 -1.4 0 0.0 0 0.0 10 73
403!A 426 ASP D 0 0 999.9 92.8 -174.9 999.9 999.9 999.9 0 0.0 429 -1.0 0 0.0 0 0.0 14 66
404 A 427 GLU E + 0 0 -143.5 22.2 179.4 75.8 999.9 78.2 0 0.0 0 0.0 0 0.0 0 0.0 14 68
405 A 428 GLU E S h > > TS- 0 0 -136.7 134.0 -176.9 -124.5 77.0 170.1 0 0.0 409 -2.5 0 0.0 408 -1.1 12 64
406 A 429 ARG R H H > 3 TS+ 0 0 -46.7 -47.4 -179.7 55.3 110.5 28.6 0 0.0 410 -2.4 0 0.0 0 0.0 11 67
407 A 430 ARG R H H > 3 TS+ 0 0 -63.4 -25.4 176.0 46.4 110.5 34.9 0 0.0 411 -0.7 0 0.0 0 0.0 10 66
408 A 431 THR T H H 4 X TS+ 0 0 -81.6 -50.8 -178.7 50.7 110.0 17.0 405 -1.1 411 -1.3 0 0.0 0 0.0 13 69
409 A 432 SER S H H < > TS+ 0 0 -48.3 -46.1 -175.6 52.6 109.4 22.2 405 -2.5 412 -1.3 0 0.0 0 0.0 12 68
410 A 433 LEU L H H < 3 TS+ 0 0 -62.8 -27.0 -176.4 29.0 122.3 39.3 406 -2.4 0 0.0 0 0.0 0 0.0 9 65
411 A 434 ASN N T h X < TS+ 0 0 -123.8 33.0 -173.7 139.1 79.2 98.2 408 -1.3 415 -2.6 407 -0.7 0 0.0 14 62
412 A 435 LEU L H H > < T + 0 0 -49.2 -52.4 -178.1 50.0 68.5 22.8 409 -1.3 416 -3.0 0 0.0 0 0.0 13 69
413 A 436 ARG R H H > TS+ 0 0 -56.1 -41.7 -179.2 49.1 112.4 25.0 0 0.0 417 -2.2 0 0.0 0 0.0 13 63
414 A 437 SER S H H > TS+ 0 0 -67.2 -34.3 178.0 51.8 110.6 30.3 0 0.0 418 -1.6 0 0.0 0 0.0 11 53
415 A 438 CYS C H H < TS+ 0 0 -64.8 -49.4 180.0 47.0 109.3 21.1 411 -2.6 0 0.0 0 0.0 0 0.0 14 64
416 A 439 ILE I H H < > TS+ 0 0 -57.4 -37.2 177.7 62.1 106.6 27.2 412 -3.0 419 -2.0 0 0.0 0 0.0 14 67
417 A 440 ALA A H H < > TS+ 0 0 -56.9 -41.4 179.5 63.9 91.8 26.7 413 -2.2 420 -1.5 0 0.0 0 0.0 12 53
418 A 441 GLN Q T h < 3 TS+ 0 0 -62.6 -10.0 178.8 34.9 112.4 50.4 414 -1.6 0 0.0 0 0.0 0 0.0 11 51
419 A 442 ALA A T T > X TS+ 0 0 -134.4 39.1 -176.8 145.9 73.1 94.3 416 -2.0 422 -2.5 0 0.0 423 -1.7 12 57
420 A 443 ARG R T T 4 < TS+ 0 0 -48.2 -33.3 -177.2 42.4 75.7 42.9 417 -1.5 99 -2.6 0 0.0 0 0.0 12 52
421 A 444 ASN N T T 4 3 TS+ 0 0 -102.8 9.2 -177.3 37.7 121.1 70.8 0 0.0 0 0.0 0 0.0 0 0.0 9 47
422 A 445 ARG R T T 4 < TS+ 0 0 -130.3 -19.6 -174.0 120.4 76.1 64.0 419 -2.5 0 0.0 0 0.0 0 0.0 11 57
423 A 446 VAL V t < T + 0 0 -65.6 123.2 179.6 158.8 17.9 119.6 419 -1.7 0 0.0 0 0.0 0 0.0 14 66
424 A 447 ALA A e + 0 0 -117.2 -6.6 -179.5 6.7 65.8 66.6 0 0.0 476 -2.4 0 0.0 0 0.0 11 73
425 A 448 PHE F E E Bp - 476 0 -169.8 157.3 171.4 -162.2 45.8 163.4 0 0.0 402 -2.8 0 0.0 0 0.0 11 81
426 A 449 ILE I E E Bpc - 477 402 -138.3 147.9 -179.4 -178.0 22.0 156.9 476 -1.7 478 -2.4 0 0.0 0 0.0 14 73
427 A 450 ASN N E E Bp - 478 0 -150.5 144.3 178.3 -121.1 30.2 169.6 402 -1.4 429 -1.0 0 0.0 0 0.0 13 69
428 A 451 THR T e - 0 0 -88.9 105.9 176.9 -167.9 20.1 134.3 478 -2.1 430 -1.7 0 0.0 0 0.0 11 67
429 A 452 GLY G h > T - 0 0 -88.2 83.0 -173.8 -178.8 13.2 129.2 403 -1.0 433 -2.0 427 -1.0 0 0.0 10 68
430 A 453 PHE F H H > T + 0 0 -63.2 -17.0 178.9 56.1 69.1 49.4 428 -1.7 434 -0.9 0 0.0 0 0.0 8 60
431 A 454 LEU L H H > TS+ 0 0 -80.8 -49.1 177.0 43.0 109.9 19.9 0 0.0 435 -2.0 0 0.0 0 0.0 10 55
432 A 455 ASP D H H > TS+ 0 0 -58.9 -39.0 -178.1 56.4 113.6 24.6 0 0.0 436 -2.9 0 0.0 0 0.0 14 55
433 A 456 ARG R H H X TS+ 0 0 -60.3 -35.8 178.3 47.7 106.7 34.5 429 -2.0 437 -1.9 0 0.0 0 0.0 12 64
434 A 457 THR T H H < TS+ 0 0 -72.2 -44.0 -179.6 50.4 110.9 28.3 430 -0.9 0 0.0 0 0.0 0 0.0 8 61
435 A 458 GLY G H H < TS+ 0 0 -63.2 -39.6 -179.1 47.0 113.6 25.2 431 -2.0 0 0.0 0 0.0 0 0.0 13 68
436 A 459 ASP D H H < T 0 0 -67.6 -42.5 -179.5 999.9 999.9 24.1 432 -2.9 439 -2.8 0 0.0 0 0.0 12 64
437!A 460 GLU E h < T 0 0 -56.1 999.9 999.9 999.9 999.9 12.2 433 -1.9 440 -2.4 0 0.0 0 0.0 9 72
438!A 462 HIS H 0 0 999.9 -37.1 -178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 9 67
439 A 463 SER S 0 0 -57.0 -51.3 -177.8 999.9 999.9 20.8 436 -2.8 0 0.0 0 0.0 0 0.0 9 67
440!A 464 VAL V 0 0 -95.6 999.9 999.9 999.9 999.9 78.2 437 -2.4 442 -3.2 0 0.0 443 -0.5 10 58
441!A 466 GLU E 0 0 999.9 -7.8 -177.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 47
442 A 467 ALA A - 0 0 -61.6 -34.3 -176.5 -87.3 999.9 32.5 440 -3.2 71 -3.7 0 0.0 0 0.0 11 47
443 A 468 GLY G 0 0 154.5 -162.1 -177.3 999.9 999.9 165.4 440 -0.5 0 0.0 0 0.0 0 0.0 10 44
444!A 469 PRO P 0 0 -79.8 999.9 999.9 999.9 999.9 125.4 0 0.0 551 -4.0 0 0.0 0 0.0 10 49
445!A 471 LEU L 0 0 999.9 153.1 174.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 52
446 A 472 ARG R t > T - 0 0 -56.7 147.1 -176.7 -107.6 999.9 105.4 0 0.0 449 -1.8 0 0.0 0 0.0 5 47
447 A 473 LYS K T T 3 TS+ 0 0 -45.1 -49.7 -179.0 57.3 113.8 29.9 0 0.0 0 0.0 0 0.0 0 0.0 6 52
448 A 474 ASN N T T 3 T 0 0 -62.9 -20.0 -180.0 999.9 999.9 48.7 0 0.0 0 0.0 0 0.0 0 0.0 4 31
449!A 475 GLN Q t < T 0 0 -84.6 999.9 999.9 999.9 999.9 55.5 446 -1.8 451 -1.5 0 0.0 0 0.0 7 32
450!A 477 LYS K 0 0 999.9 -19.8 -177.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 37
451 A 478 SER S + 0 0 -101.1 1.3 -176.6 119.8 999.9 69.6 449 -1.5 0 0.0 0 0.0 0 0.0 6 25
452 A 479 THR T h > T - 0 0 -75.3 155.6 178.2 -128.1 67.9 110.7 0 0.0 456 -2.0 0 0.0 0 0.0 8 33
453 A 480 PRO P H H > TS+ 0 0 -62.2 -44.1 -178.7 56.6 108.6 25.0 0 0.0 457 -2.5 0 0.0 0 0.0 9 36
454 A 481 TRP W H H > TS+ 0 0 -58.1 -42.4 -177.1 47.4 108.0 23.6 0 0.0 458 -2.2 0 0.0 0 0.0 12 51
455 A 482 ILE I H H > TS+ 0 0 -69.5 -35.9 177.2 50.5 110.8 30.5 0 0.0 459 -2.3 0 0.0 0 0.0 10 51
456 A 483 LYS K H H X TS+ 0 0 -66.9 -43.4 -178.4 46.1 112.6 21.1 452 -2.0 460 -2.4 0 0.0 0 0.0 10 46
457 A 484 ALA A H H X TS+ 0 0 -65.7 -36.0 179.6 59.0 108.0 27.0 453 -2.5 461 -3.8 0 0.0 0 0.0 12 51
458 A 485 TYR Y H H X TS+ 0 0 -56.1 -51.8 179.5 42.8 109.2 19.5 454 -2.2 462 -1.9 0 0.0 0 0.0 11 60
459 A 486 GLU E H H X TS+ 0 0 -62.0 -45.6 -178.0 45.8 117.4 18.9 455 -2.3 463 -1.8 0 0.0 0 0.0 9 61
460 A 487 ARG R H H X TS+ 0 0 -64.2 -45.3 179.0 52.8 110.4 20.6 456 -2.4 464 -2.6 0 0.0 0 0.0 10 61
461 A 488 ASN N H H X TS+ 0 0 -59.4 -38.1 -179.7 56.6 105.1 32.1 457 -3.8 465 -2.1 0 0.0 0 0.0 11 62
462 A 489 ASN N H H X TS+ 0 0 -60.4 -50.5 177.7 44.2 109.8 12.5 458 -1.9 466 -2.2 0 0.0 0 0.0 14 71
463 A 490 VAL V H H X TS+ 0 0 -57.7 -51.4 -177.7 45.9 115.9 18.1 459 -1.8 467 -2.4 0 0.0 0 0.0 11 70
464 A 491 LEU L H H X TS+ 0 0 -62.6 -37.7 179.5 55.4 109.6 29.5 460 -2.6 468 -3.2 0 0.0 0 0.0 9 67
465 A 492 SER S H H X TS+ 0 0 -60.5 -41.9 -178.5 46.3 110.0 22.9 461 -2.1 469 -1.7 0 0.0 0 0.0 10 71
466 A 493 GLY G H H < >TS+ 0 0 -67.1 -42.3 179.4 46.3 114.2 26.0 462 -2.2 471 -2.8 0 0.0 0 0.0 13 70
467 A 494 LEU L H H < >5TS+ 0 0 -63.1 -46.1 177.3 54.8 110.8 21.2 463 -2.4 470 -1.6 0 0.0 0 0.0 11 59
468 A 495 PHE F H H < 35TS+ 0 0 -53.4 -40.7 -176.3 47.1 108.5 36.0 464 -3.2 0 0.0 0 0.0 0 0.0 10 52
469 A 496 CYS C T h < 35TS- 0 0 -88.1 2.0 177.2 -108.1 120.8 69.5 465 -1.7 98 -2.3 0 0.0 0 0.0 13 50
470 A 497 GLY G T T <5TS+ 0 0 77.2 43.2 -179.9 140.6 72.0 32.6 467 -1.6 0 0.0 0 0.0 0 0.0 10 53
471 A 498 LEU L t > > TS+ 0 0 -93.0 -33.6 -174.9 80.7 96.4 35.0 487 -2.3 493 -2.0 0 0.0 0 0.0 6 32
491 A 522 LYS K T h > > TS+ 0 0 -52.2 -28.2 178.2 70.3 80.3 43.6 0 0.0 494 -1.5 0 0.0 495 -0.7 10 44
492 A 523 GLY G H H > 3 TS+ 0 0 -64.0 -14.4 -179.1 77.9 81.3 44.9 0 0.0 496 -2.8 0 0.0 0 0.0 12 43
493 A 524 ASP D H H > < TS+ 0 0 -63.4 -32.4 -179.8 57.7 87.9 32.5 490 -2.0 497 -1.9 0 0.0 0 0.0 7 40
494 A 525 GLN Q H H 4 <>TS+ 0 0 -62.2 -40.5 179.7 44.5 108.5 23.7 491 -1.5 499 -2.6 0 0.0 0 0.0 10 57
495 A 526 LEU L H H < >5TS+ 0 0 -66.5 -44.9 179.5 50.5 112.3 20.5 491 -0.7 498 -2.2 0 0.0 0 0.0 16 53
496 A 527 ARG R H H < 35TS+ 0 0 -63.6 -22.3 178.5 61.8 104.8 37.1 492 -2.8 0 0.0 0 0.0 0 0.0 10 41
497 A 528 ALA A T h < 35TS- 0 0 -80.4 -6.2 177.7 -97.9 128.3 58.7 493 -1.9 0 0.0 0 0.0 0 0.0 7 47
498 A 529 GLY G T T <5TS+ 0 0 100.7 13.5 174.5 136.6 77.9 56.0 495 -2.2 0 0.0 0 0.0 0 0.0 12 58
499 A 530 ALA A t TS- 0 0 -147.7 160.3 175.9 -104.8 75.2 167.8 0 0.0 510 -2.9 0 0.0 0 0.0 10 63
507 A 538 PRO P H H > TS+ 0 0 -54.5 -41.5 177.8 53.8 122.1 23.3 0 0.0 511 -2.8 0 0.0 0 0.0 14 58
508 A 539 THR T H H > TS+ 0 0 -63.0 -44.1 176.3 46.6 109.0 20.0 0 0.0 512 -1.9 0 0.0 0 0.0 8 57
509 A 540 ALA A H H > TS+ 0 0 -64.6 -32.4 -179.9 54.8 110.4 28.6 0 0.0 513 -2.8 0 0.0 0 0.0 11 64
510 A 541 ALA A H H X TS+ 0 0 -64.4 -41.5 -179.9 50.9 106.5 19.1 506 -2.9 514 -2.0 0 0.0 0 0.0 16 67
511 A 542 THR T H H X TS+ 0 0 -60.7 -38.0 -175.7 40.8 116.2 23.7 507 -2.8 515 -0.5 0 0.0 0 0.0 18 68
512 A 543 LEU L H H < > TS+ 0 0 -81.3 -40.7 177.1 50.2 113.3 24.3 508 -1.9 515 -0.9 0 0.0 0 0.0 13 65
513 A 544 HIS H H H X > TS+ 0 0 -65.5 -30.6 179.1 73.6 97.2 33.4 509 -2.8 516 -2.1 0 0.0 517 -0.8 14 73
514 A 545 ALA A H H X > TS+ 0 0 -53.5 -32.4 -179.7 62.9 87.1 28.7 510 -2.0 517 -0.9 0 0.0 518 -0.6 14 72
515 A 546 LEU L H H X X TS+ 0 0 -65.0 -23.7 178.9 66.0 90.5 36.9 512 -0.9 519 -0.8 511 -0.5 518 -0.7 8 71
516 A 547 HIS H H H > < TS+ 0 0 -62.6 -37.2 179.5 56.0 96.3 30.6 513 -2.1 520 -1.9 0 0.0 0 0.0 12 61
517 A 548 TYR Y H H < < TS+ 0 0 -71.4 -16.7 175.5 51.3 104.5 50.7 514 -0.9 0 0.0 513 -0.8 0 0.0 15 61
518 A 549 HIS H H H < < TS+ 0 0 -89.6 -20.2 -178.4 50.6 112.6 48.6 515 -0.7 0 0.0 514 -0.6 0 0.0 11 55
519 A 550 GLN Q H H < TS+ 0 0 -87.9 -33.8 178.9 32.6 116.4 36.4 515 -0.8 0 0.0 0 0.0 0 0.0 7 49
520 A 551 THR T S h < TS- 0 0 -126.6 134.5 177.4 -137.1 75.9 175.1 516 -1.9 522 -0.9 0 0.0 0 0.0 10 44
521 A 552 ASN N h > T - 0 0 -92.8 101.1 -174.4 -168.3 16.2 142.8 0 0.0 525 -2.8 0 0.0 0 0.0 9 43
522 A 553 VAL V H H > TS+ 0 0 -62.4 -29.1 -179.0 55.8 85.0 41.3 520 -0.9 526 -2.7 0 0.0 0 0.0 13 53
523 A 554 GLN Q H H > TS+ 0 0 -70.3 -48.6 176.1 45.9 109.6 13.5 0 0.0 527 -2.6 0 0.0 0 0.0 8 47
524 A 555 SER S H H > TS+ 0 0 -53.7 -51.2 -179.5 49.5 114.7 19.1 0 0.0 528 -2.5 0 0.0 0 0.0 7 34
525 A 556 VAL V H H X TS+ 0 0 -56.0 -51.5 179.8 43.6 113.7 19.9 521 -2.8 529 -2.9 0 0.0 0 0.0 12 40
526 A 557 GLN Q H H X TS+ 0 0 -61.6 -40.6 178.1 51.9 113.5 28.1 522 -2.7 530 -2.9 0 0.0 0 0.0 13 50
527 A 558 ALA A H H X TS+ 0 0 -61.9 -41.3 177.3 49.7 109.9 27.2 523 -2.6 531 -0.6 0 0.0 0 0.0 9 37
528 A 559 ASN N H H X > TS+ 0 0 -63.4 -53.9 178.9 44.4 113.2 12.2 524 -2.5 531 -2.2 0 0.0 532 -1.0 8 28
529 A 560 ILE I H H < > TS+ 0 0 -54.9 -42.7 -178.1 57.6 111.0 21.9 525 -2.9 532 -1.0 0 0.0 0 0.0 9 41
530 A 561 ALA A H H < 3 TS+ 0 0 -63.4 -16.3 -179.6 56.6 100.8 47.8 526 -2.9 0 0.0 0 0.0 0 0.0 9 36
531 A 562 GLN Q H H < < TS+ 0 0 -90.2 -16.5 -179.3 85.9 90.7 44.0 528 -2.2 0 0.0 527 -0.6 0 0.0 6 26
532 A 563 THR T S h < < TS- 0 0 -73.0 170.8 176.5 -103.7 91.9 99.1 528 -1.0 534 -1.3 529 -1.0 0 0.0 6 21
533 A 564 GLU E g > T + 0 0 -98.4 79.7 -172.0 151.6 59.9 129.4 0 0.0 536 -0.5 0 0.0 0 0.0 6 20
534 A 565 PHE F G G > > T + 0 0 -86.2 -15.7 -178.5 91.0 42.9 51.2 532 -1.3 537 -3.6 0 0.0 538 -0.7 9 32
535 A 566 ASN N G G 4 > TS+ 0 0 -51.0 -25.1 179.8 67.6 82.5 36.0 0 0.0 538 -0.6 0 0.0 0 0.0 6 32
536 A 567 ALA A G G 4 < TS+ 0 0 -68.4 -17.0 -176.2 62.8 89.1 52.7 533 -0.5 0 0.0 0 0.0 0 0.0 7 25
537 A 568 GLU E G h > < TS+ 0 0 -85.5 -26.4 -177.3 82.2 79.4 35.2 534 -3.6 541 -2.8 0 0.0 0 0.0 7 36
538 A 569 PHE F H H X < TS+ 0 0 -45.7 -46.9 -176.8 48.0 90.6 27.2 534 -0.7 542 -2.6 535 -0.6 0 0.0 9 43
539 A 570 GLU E H H > TS+ 0 0 -66.1 -42.8 178.0 42.6 115.5 16.6 0 0.0 543 -1.7 0 0.0 0 0.0 7 38
540 A 571 PRO P H H > TS+ 0 0 -70.6 -33.3 179.4 55.6 111.7 30.9 0 0.0 544 -1.5 0 0.0 0 0.0 8 32
541 A 572 LEU L H H X TS+ 0 0 -63.4 -41.7 -179.3 54.8 105.8 18.7 537 -2.8 545 -2.4 0 0.0 0 0.0 12 40
542 A 573 LEU L H H X TS+ 0 0 -56.7 -45.9 -179.9 49.2 105.1 23.0 538 -2.6 546 -1.6 0 0.0 0 0.0 10 52
543 A 574 ASP D H H < TS+ 0 0 -63.6 -31.4 177.5 52.3 111.0 34.9 539 -1.7 0 0.0 0 0.0 0 0.0 9 42
544 A 575 ASP D H H < > TS+ 0 0 -71.7 -38.4 176.2 55.0 103.5 32.1 540 -1.5 547 -1.8 0 0.0 0 0.0 10 39
545 A 576 LEU L H H < 3 TS+ 0 0 -60.8 -33.9 179.2 55.9 106.0 29.4 541 -2.4 0 0.0 0 0.0 0 0.0 13 57
546 A 577 LEU L T h < 3 TS+ 0 0 -83.7 12.5 176.5 107.0 78.2 76.0 542 -1.6 548 -1.0 0 0.0 0 0.0 9 57
547 A 578 THR T S t < TS- 0 0 -93.9 105.1 -174.6 -140.3 70.8 145.9 544 -1.8 0 0.0 0 0.0 0 0.0 10 46
548 A 579 ILE I - 0 0 -73.8 144.7 -177.2 -129.8 6.5 114.1 546 -1.0 550 -1.3 0 0.0 0 0.0 9 55
549 A 580 PRO P + 0 0 -90.0 51.6 179.6 138.4 56.5 110.4 0 0.0 0 0.0 0 0.0 0 0.0 8 49
550 A 581 VAL V - 0 0 -96.3 143.9 -179.3 -106.8 60.2 137.7 548 -1.3 0 0.0 0 0.0 0 0.0 10 52
551 A 582 ALA A - 0 0 -75.3 121.7 177.6 -147.5 26.4 124.9 444 -4.0 553 -0.7 0 0.0 0 0.0 9 40
552 A 583 GLU E S S S- 0 0 -93.2 115.8 -178.1 -11.6 80.7 145.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
553 A 584 ASN N S S S- 0 0 56.4 59.8 -177.9 -151.2 85.9 15.7 551 -0.7 555 -0.5 0 0.0 0 0.0 4 20
554 A 585 ALA A + 0 0 -62.6 107.5 -179.8 166.0 29.1 117.8 0 0.0 0 0.0 0 0.0 0 0.0 6 30
555 A 586 ASN N + 0 0 -113.2 17.8 179.8 161.4 14.5 77.9 553 -0.5 0 0.0 0 0.0 0 0.0 4 22
556 A 587 TRP W - 0 0 -36.9 142.6 175.0 -117.8 38.4 83.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
557 A 588 SER S h > T - 0 0 -79.7 164.3 177.3 -108.3 25.4 113.0 0 0.0 561 -2.5 0 0.0 0 0.0 6 19
558 A 589 ALA A H H > TS+ 0 0 -55.0 -43.8 -179.6 52.8 123.1 27.2 0 0.0 562 -4.0 0 0.0 0 0.0 6 22
559 A 590 GLN Q H H > TS+ 0 0 -60.1 -48.2 179.5 48.8 108.9 23.6 0 0.0 563 -2.5 0 0.0 0 0.0 7 19
560 A 591 GLU E H H > TS+ 0 0 -57.7 -44.0 -177.5 44.7 115.4 22.7 0 0.0 564 -2.0 0 0.0 0 0.0 8 25
561 A 592 ILE I H H X TS+ 0 0 -67.2 -48.2 -178.8 51.5 111.6 21.6 557 -2.5 565 -2.4 0 0.0 0 0.0 11 40
562 A 593 GLN Q H H X TS+ 0 0 -59.9 -35.3 -178.2 50.5 109.4 31.3 558 -4.0 566 -2.3 0 0.0 0 0.0 8 35
563 A 594 GLN Q H H X TS+ 0 0 -71.2 -40.4 177.4 48.7 110.5 27.7 559 -2.5 567 -1.9 0 0.0 0 0.0 8 35
564 A 595 GLU E H H X TS+ 0 0 -61.8 -48.0 -178.7 47.8 113.7 21.5 560 -2.0 568 -2.7 0 0.0 0 0.0 10 45
565 A 596 LEU L H H X TS+ 0 0 -58.0 -57.9 -178.3 45.5 113.0 15.1 561 -2.4 569 -3.6 0 0.0 0 0.0 11 57
566 A 597 ASP D H H X TS+ 0 0 -57.0 -41.1 178.0 51.7 112.9 28.2 562 -2.3 570 -2.8 0 0.0 0 0.0 10 52
567 A 598 ASN N H H X TS+ 0 0 -61.1 -48.7 -179.2 43.9 113.3 16.9 563 -1.9 571 -1.9 0 0.0 0 0.0 9 53
568 A 599 ASN N H H X TS+ 0 0 -60.9 -48.3 -179.7 48.2 115.9 20.5 564 -2.7 572 -2.0 0 0.0 0 0.0 12 64
569 A 600 VAL V H H X TS+ 0 0 -59.2 -46.6 -176.1 51.5 109.1 25.4 565 -3.6 573 -2.4 0 0.0 0 0.0 11 64
570 A 601 GLN Q H H X TS+ 0 0 -63.4 -38.2 -179.4 51.4 108.8 22.2 566 -2.8 574 -2.8 0 0.0 0 0.0 14 59
571 A 602 GLY G H H X TS+ 0 0 -64.4 -39.0 -179.3 49.8 110.2 27.7 567 -1.9 575 -1.6 0 0.0 0 0.0 12 66
572 A 603 ILE I H H X TS+ 0 0 -63.2 -54.8 -178.9 43.3 114.1 10.8 568 -2.0 576 -4.0 0 0.0 0 0.0 12 73
573 A 604 LEU L H H X TS+ 0 0 -56.5 -50.5 -178.0 55.6 110.0 24.0 569 -2.4 577 -2.7 0 0.0 0 0.0 13 75
574 A 605 GLY G H H X TS+ 0 0 -52.2 -42.0 -178.4 34.4 118.4 29.3 570 -2.8 578 -0.7 0 0.0 0 0.0 12 68
575 A 606 TYR Y H H X TS+ 0 0 -81.4 -47.4 -177.1 53.2 116.1 21.9 571 -1.6 579 -1.6 0 0.0 0 0.0 13 70
576 A 607 VAL V H H X >TS+ 0 0 -58.9 -38.7 -175.2 59.4 101.9 29.5 572 -4.0 580 -2.8 0 0.0 581 -0.6 13 73
577 A 608 VAL V H H X 5TS+ 0 0 -62.1 -37.6 -179.3 41.9 109.0 23.6 573 -2.7 581 -1.5 0 0.0 0 0.0 11 70
578 A 609 ARG R H H X 5TS+ 0 0 -76.4 -29.2 -177.6 51.0 116.2 35.8 574 -0.7 584 -2.4 0 0.0 582 -1.0 12 59
579 A 610 TRP W H H X 5TS+ 0 0 -71.6 -58.2 -177.0 30.0 119.8 15.1 575 -1.6 583 -1.3 0 0.0 0 0.0 14 61
580 A 611 VAL V H H < 5TS+ 0 0 -70.1 -46.9 -176.4 37.7 129.4 16.7 576 -2.8 0 0.0 0 0.0 0 0.0 15 56
581 A 612 GLU E H H < T - 0 0 -90.2 -168.9 -179.5 -78.8 36.2 99.1 595 -2.6 594 -2.6 0 0.0 0 0.0 11 44
592 A 623 ILE I T T 3 TS+ 0 0 -59.1 -35.8 178.3 40.1 136.0 30.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36
593 A 624 HIS H T T 3 TS- 0 0 -100.2 26.4 178.4 -101.7 124.7 88.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
594 A 625 ASN N S t < TS+ 0 0 60.1 26.8 174.1 147.3 74.6 42.0 591 -2.6 0 0.0 0 0.0 0 0.0 6 29
595 A 626 VAL V e - 0 0 -89.9 128.6 -177.6 -115.3 53.0 144.0 0 0.0 591 -2.6 0 0.0 0 0.0 7 27
596 A 627 ALA A E E ER 590 0 -76.3 126.3 178.7 999.9 999.9 128.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
597!A 628 LEU L E E ER 589 0 -117.0 999.9 999.9 999.9 999.9 151.6 589 -2.0 589 -4.4 0 0.0 0 0.0 10 43
598!A 630 GLU E 0 0 999.9 175.7 -176.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 11 56
599 A 631 ASP D h > > T - 0 0 -146.4 -166.3 -177.5 -48.5 999.9 136.7 0 0.0 603 -1.3 0 0.0 602 -1.2 10 65
600 A 632 ARG R H H > 3 TS+ 0 0 -46.8 -38.8 -178.1 68.9 121.7 37.3 269 -1.5 604 -2.6 0 0.0 0 0.0 10 71
601 A 633 ALA A H H > 3 TS+ 0 0 -51.4 -46.8 178.0 44.4 101.7 26.0 0 0.0 605 -2.1 0 0.0 0 0.0 11 61
602 A 634 THR T H H > < TS+ 0 0 -66.5 -32.8 178.1 53.7 111.8 31.9 599 -1.2 606 -2.7 0 0.0 0 0.0 11 63
603 A 635 LEU L H H X TS+ 0 0 -66.9 -40.4 177.5 53.6 105.6 25.5 599 -1.3 607 -2.7 0 0.0 0 0.0 12 74
604 A 636 ARG R H H X TS+ 0 0 -58.9 -47.2 178.1 46.1 111.2 14.6 600 -2.6 608 -2.4 0 0.0 0 0.0 13 64
605 A 637 ILE I H H X TS+ 0 0 -59.4 -53.9 -177.3 46.0 114.9 14.5 601 -2.1 609 -2.4 0 0.0 0 0.0 12 63
606 A 638 SER S H H X TS+ 0 0 -55.4 -49.1 178.9 46.6 114.6 26.5 602 -2.7 610 -2.0 0 0.0 0 0.0 12 67
607 A 639 SER S H H X TS+ 0 0 -61.6 -46.8 177.7 46.7 113.8 24.4 603 -2.7 611 -2.4 0 0.0 0 0.0 13 70
608 A 640 GLN Q H H X TS+ 0 0 -68.2 -32.5 178.5 57.8 109.1 29.1 604 -2.4 612 -1.9 0 0.0 0 0.0 14 63
609 A 641 HIS H H H X TS+ 0 0 -61.2 -52.9 179.1 41.3 109.8 15.1 605 -2.4 613 -2.0 0 0.0 0 0.0 10 71
610 A 642 ILE I H H X TS+ 0 0 -61.9 -40.9 179.4 56.2 112.0 22.2 606 -2.0 614 -2.6 0 0.0 0 0.0 11 64
611 A 643 ALA A H H X TS+ 0 0 -58.2 -37.4 179.4 48.9 109.4 27.4 607 -2.4 615 -2.3 0 0.0 0 0.0 13 61
612 A 644 ASN N H H X TS+ 0 0 -63.7 -46.2 -177.4 49.2 109.3 27.1 608 -1.9 616 -2.2 0 0.0 0 0.0 11 58
613 A 645 TRP W H H < >TS+ 0 0 -68.3 -34.9 174.0 45.5 114.5 37.3 609 -2.0 618 -2.6 0 0.0 619 -1.7 11 57
614 A 646 LEU L H H < >5TS+ 0 0 -70.5 -45.7 179.2 53.8 111.2 21.0 610 -2.6 617 -1.7 0 0.0 0 0.0 11 46
615 A 647 ARG R H H < 35TS+ 0 0 -52.1 -46.5 178.8 42.5 114.0 29.9 611 -2.3 0 0.0 0 0.0 0 0.0 7 42
616 A 648 HIS H T h < 35TS- 0 0 -89.0 9.5 176.3 -111.3 116.0 74.3 612 -2.2 0 0.0 0 0.0 0 0.0 9 40
617 A 649 GLY G T T <5TS+ 0 0 70.8 17.7 175.3 121.4 83.3 44.1 614 -1.7 0 0.0 0 0.0 0 0.0 7 33
618 A 650 ILE I S t T - 0 0 -117.3 163.1 -175.9 -112.4 24.8 142.5 0 0.0 624 -2.2 0 0.0 0 0.0 8 30
621 A 653 LYS K H H > TS+ 0 0 -55.6 -50.6 -179.6 48.9 115.6 25.1 0 0.0 625 -3.1 0 0.0 0 0.0 7 34
622 A 654 GLU E H H > TS+ 0 0 -58.8 -42.5 -179.0 54.3 108.8 30.7 0 0.0 626 -2.2 0 0.0 0 0.0 6 26
623 A 655 GLN Q H H > TS+ 0 0 -58.9 -46.6 177.0 43.4 112.5 19.9 0 0.0 627 -2.0 0 0.0 0 0.0 8 34
624 A 656 VAL V H H X TS+ 0 0 -62.8 -44.1 179.6 53.3 112.7 25.2 620 -2.2 628 -2.9 0 0.0 0 0.0 10 50
625 A 657 GLN Q H H X TS+ 0 0 -61.7 -36.1 -179.7 46.6 110.4 31.6 621 -3.1 629 -1.6 0 0.0 0 0.0 8 40
626 A 658 ALA A H H X TS+ 0 0 -75.2 -34.3 178.6 54.1 109.9 32.8 622 -2.2 630 -2.2 0 0.0 0 0.0 8 36
627 A 659 SER S H H < TS+ 0 0 -63.5 -45.1 177.8 53.0 106.5 22.9 623 -2.0 0 0.0 0 0.0 0 0.0 10 46
628 A 660 LEU L H H < TS+ 0 0 -55.8 -45.8 178.4 45.9 110.3 25.3 624 -2.9 0 0.0 0 0.0 0 0.0 10 56
629 A 661 GLU E H H < T 0 0 -68.8 -36.3 178.5 999.9 999.9 27.4 625 -1.6 632 -0.8 0 0.0 0 0.0 8 42
630!A 662 ASN N h < T 0 0 -72.5 999.9 999.9 999.9 999.9 22.0 626 -2.2 633 -1.5 0 0.0 632 -0.6 7 36
631!A 664 ALA A h > T 0 0 999.9 -34.0 177.0 999.9 999.9 999.9 0 0.0 635 -2.1 0 0.0 0 0.0 11 51
632 A 665 LYS K H H > T + 0 0 -66.3 -42.6 178.1 50.2 999.9 22.3 629 -0.8 636 -1.4 630 -0.6 0 0.0 8 38
633 A 666 VAL V H H > TS+ 0 0 -61.8 -42.3 -179.7 49.8 111.5 22.7 630 -1.5 637 -1.8 0 0.0 0 0.0 8 39
634 A 667 VAL V H H > TS+ 0 0 -63.4 -42.0 179.4 55.2 104.9 25.7 0 0.0 638 -1.6 0 0.0 0 0.0 10 51
635 A 668 ASP D H H < TS+ 0 0 -61.4 -32.3 178.1 51.6 108.1 29.9 631 -2.1 0 0.0 0 0.0 0 0.0 11 42
636 A 669 GLN Q H H < > TS+ 0 0 -68.2 -45.5 179.1 53.8 105.9 25.3 632 -1.4 639 -1.3 0 0.0 0 0.0 7 30
637 A 670 GLN Q H H < 3 TS+ 0 0 -60.8 -28.1 178.2 36.7 117.5 38.2 633 -1.8 0 0.0 0 0.0 0 0.0 7 37
638 A 671 ASN N T h < > TS+ 0 0 -107.1 9.8 -177.1 118.3 81.9 72.6 634 -1.6 641 -2.1 0 0.0 0 0.0 8 38
639 A 672 ALA A T T < TS+ 0 0 -48.4 -38.3 -179.8 52.3 73.7 38.0 636 -1.3 0 0.0 0 0.0 0 0.0 8 22
640 A 673 GLY G T T 3 TS+ 0 0 -78.6 -4.5 -177.0 103.1 88.3 51.7 0 0.0 0 0.0 0 0.0 0 0.0 4 16
641 A 674 ASP D t X T - 0 0 -87.0 109.0 -178.9 -170.0 50.0 131.0 638 -2.1 644 -1.2 0 0.0 0 0.0 6 22
642 A 675 PRO P T T 3 TS+ 0 0 -66.9 -25.5 176.5 58.7 89.4 42.0 0 0.0 0 0.0 0 0.0 0 0.0 6 15
643 A 676 ALA A T T 3 TS+ 0 0 -77.9 -13.0 -177.0 88.3 94.2 52.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
644 A 677 TYR Y t < T - 0 0 -91.5 143.9 173.8 -163.5 59.3 127.9 641 -1.2 0 0.0 0 0.0 0 0.0 10 36
645 A 678 ARG R 0 0 -121.2 127.1 -177.8 999.9 999.9 162.9 0 0.0 0 0.0 0 0.0 0 0.0 5 38
646!A 679 PRO P 0 0 -57.7 999.9 999.9 999.9 999.9 104.7 0 0.0 0 0.0 0 0.0 0 0.0 6 39
647!A 681 ALA A 0 0 999.9 137.3 -176.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
648 A 682 GLY G + 0 0 79.4 -6.8 -179.6 75.9 999.9 70.5 0 0.0 0 0.0 0 0.0 0 0.0 5 22
649 A 683 ASN N t > > T + 0 0 -118.7 17.1 -177.6 122.2 49.1 82.9 0 0.0 653 -2.4 0 0.0 652 -1.9 7 27
650 A 684 PHE F T T 4 3 TS+ 0 0 -50.1 -36.6 -179.0 58.6 72.9 28.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
651 A 685 ALA A T T 4 3 TS+ 0 0 -66.7 -28.4 -178.5 19.6 122.4 42.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
652 A 686 ASN N T T 4 < TS+ 0 0 -124.5 -0.8 -177.3 118.0 86.9 65.6 649 -1.9 654 -0.7 0 0.0 0 0.0 5 28
653 A 687 SER S h X T - 0 0 -76.3 116.2 177.2 -164.6 42.1 129.2 649 -2.4 657 -2.1 0 0.0 0 0.0 8 42
654 A 688 CYS C H H > TS+ 0 0 -60.2 -40.6 178.9 50.2 92.8 25.0 652 -0.7 658 -2.1 0 0.0 0 0.0 12 44
655 A 689 ALA A H H > TS+ 0 0 -66.4 -43.4 178.6 50.9 108.6 23.0 0 0.0 659 -2.6 0 0.0 0 0.0 13 61
656 A 690 PHE F H H > TS+ 0 0 -60.2 -45.1 -177.4 45.2 112.7 16.9 0 0.0 660 -2.2 0 0.0 0 0.0 12 55
657 A 691 LYS K H H X TS+ 0 0 -66.9 -35.4 176.9 53.3 111.0 29.8 653 -2.1 661 -2.7 0 0.0 0 0.0 9 50
658 A 692 ALA A H H X TS+ 0 0 -62.4 -51.2 -179.5 48.3 109.6 14.0 654 -2.1 662 -3.0 0 0.0 0 0.0 13 56
659 A 693 ALA A H H X TS+ 0 0 -57.1 -42.0 179.1 50.5 111.3 25.9 655 -2.6 663 -1.2 0 0.0 0 0.0 11 72
660 A 694 SER S H H X TS+ 0 0 -63.6 -40.1 178.1 50.1 110.9 23.2 656 -2.2 664 -2.5 0 0.0 0 0.0 9 62
661 A 695 ASP D H H X TS+ 0 0 -60.7 -45.0 -180.0 59.0 103.2 23.4 657 -2.7 665 -2.6 0 0.0 0 0.0 10 52
662 A 696 LEU L H H < TS+ 0 0 -54.4 -33.1 176.1 34.8 116.2 34.7 658 -3.0 0 0.0 0 0.0 0 0.0 11 62
663 A 697 ILE I H H < > TS+ 0 0 -83.2 -58.3 -171.6 41.5 121.8 19.0 659 -1.2 666 -1.3 0 0.0 0 0.0 11 63
664 A 698 PHE F H H < 3 TS+ 0 0 -66.7 -24.6 179.6 35.1 126.3 42.1 660 -2.5 0 0.0 0 0.0 0 0.0 8 50
665 A 699 LEU L T h < > TS+ 0 0 -112.2 11.2 -177.3 110.1 87.0 82.5 661 -2.6 668 -1.2 0 0.0 0 0.0 9 42
666 A 700 GLY G G G X TS+ 0 0 -57.5 -40.8 -177.3 56.8 72.5 31.0 663 -1.3 669 -1.3 0 0.0 0 0.0 12 51
667 A 701 VAL V G G 3 TS+ 0 0 -66.7 -19.0 -177.6 53.4 106.0 42.1 0 0.0 0 0.0 0 0.0 0 0.0 10 49
668 A 702 LYS K G G < TS+ 0 0 -95.1 -5.4 178.0 101.0 83.7 63.2 665 -1.2 0 0.0 0 0.0 0 0.0 6 38
669 A 703 GLN Q S g X TS- 0 0 -84.6 143.1 179.7 -100.5 86.7 129.6 666 -1.3 672 -1.6 0 0.0 0 0.0 10 49
670 A 704 PRO P G G > TS- 0 0 -62.7 116.0 -178.3 -16.7 101.2 117.7 0 0.0 673 -2.5 0 0.0 0 0.0 6 50
671 A 705 ASN N G G 3 TS- 0 0 56.1 20.6 -178.8 -73.7 120.1 44.3 0 0.0 0 0.0 0 0.0 0 0.0 9 61
672 A 706 GLY G G G < TS+ 0 0 67.1 23.4 179.4 171.3 81.8 50.3 669 -1.6 0 0.0 0 0.0 0 0.0 13 57
673 A 707 TYR Y g < T - 0 0 -66.8 142.6 -178.6 -156.5 27.3 110.4 670 -2.5 0 0.0 0 0.0 0 0.0 8 61
674 A 708 THR T S h > TS+ 0 0 -92.7 -18.5 -179.1 83.9 73.6 53.8 0 0.0 678 -2.3 0 0.0 0 0.0 11 69
675 A 709 GLU E H H > TS+ 0 0 -55.9 -43.8 -177.0 58.9 83.1 26.6 0 0.0 679 -3.2 0 0.0 0 0.0 6 63
676 A 710 PRO P H H > TS+ 0 0 -55.8 -48.2 178.8 35.0 114.9 13.2 0 0.0 680 -1.9 0 0.0 0 0.0 8 52
677 A 711 LEU L H H > TS+ 0 0 -72.3 -36.4 -179.6 52.2 119.0 23.5 0 0.0 681 -2.8 0 0.0 0 0.0 10 53
678 A 712 LEU L H H X TS+ 0 0 -61.0 -51.5 -179.1 43.8 112.9 12.1 674 -2.3 682 -2.5 0 0.0 0 0.0 11 63
679 A 713 HIS H H H X TS+ 0 0 -60.3 -41.4 -179.5 50.5 114.2 27.7 675 -3.2 683 -2.3 0 0.0 0 0.0 10 54
680 A 714 ALA A H H X TS+ 0 0 -63.4 -50.7 -176.7 42.2 114.4 18.3 676 -1.9 684 -2.0 0 0.0 0 0.0 8 40
681 A 715 TRP W H H X TS+ 0 0 -69.6 -30.5 177.1 51.3 114.3 35.8 677 -2.8 685 -1.9 0 0.0 0 0.0 12 42
682 A 716 ARG R H H X TS+ 0 0 -71.7 -37.8 175.9 55.0 106.3 32.6 678 -2.5 686 -2.7 0 0.0 0 0.0 14 47
683 A 717 LEU L H H < TS+ 0 0 -61.0 -42.3 178.2 48.1 109.4 17.9 679 -2.3 0 0.0 0 0.0 0 0.0 9 39
684 A 718 ARG R H H < > TS+ 0 0 -62.5 -45.7 179.3 50.1 111.0 23.9 680 -2.0 687 -1.4 0 0.0 0 0.0 9 32
685 A 719 GLU E H H < > TS+ 0 0 -55.6 -47.6 -177.7 54.7 106.4 17.4 681 -1.9 688 -2.1 0 0.0 0 0.0 10 38
686 A 720 LYS K T h < 3 TS+ 0 0 -64.1 -13.0 178.9 89.0 83.2 48.4 682 -2.7 0 0.0 0 0.0 0 0.0 6 31
687 A 721 GLU E T t < T 0 0 -57.1 -22.6 176.2 999.9 999.9 36.2 684 -1.4 0 0.0 0 0.0 0 0.0 5 21
688 A 722 SER S t < T 0 0 -96.2 999.9 999.9 999.9 999.9 38.3 685 -2.1 0 0.0 0 0.0 0 0.0 4 16
1d8cA.pdb
1D8C LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEETTEEEEHHHHHHHHHHTHHHHT HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHS SS S HHHHHHHHHHTTSS S Kabs/Sand
chirality --+--+----++++++++++++++-+--+++++++++++++++++++++++++++++++++++++++-++-+++++++++++++-++-----+++--+- chirality
bends SS SSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SS S SSSSSSSSSSSSSS S bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >>>55<5555< 5-turns
3-turns >33< >33< 3-turns
bridge-2 BB bridge-2
bridge-1 AAAA AAAA bridge-1
sheets AAAA AAAA sheets
4-turns >>>>XXXX<<44<< >>>>XXXXXXXXX<>XXXXXXXXXXXXXXXXXX<<<< >>>>XXXX<<<< 4-turns
summary eEEEETTEEEEHHHHHHHHHHhHHHHhthHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHh SS ShHHHHHHHHHHhTtS S summary
sequence QTITQSRLRIDANFKRFVDEEVLPGTGLDAAAFWRNFDEIVHDLAPENRQLLAERDRIQAALDEWHRSNPGPVKDKAAYKSFLRELGYLVPQPERVTVET sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHT EEEEE HHHHHHHHGGGEEEHHHHHHTSSSS S S HHHHHHHHHHHHHHHHHHS BSSS GGGEEEEEEETTEEEEEETT Kabs/Sand
chirality ++--+++++-+----+- ++++++++++++--+++++++-++--+- +---++++++++++++++++++----+--++++--+-+--+------+- chirality
bends SSSSS SSSSSSSS SS SSSSSSSSSSS S S SSSSSSSSSSSSSSSSSSS SSS SSS SSS SS bends
turns TTTTTTT TTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTT TTTT TTT turns
5-turns >5555< 5-turns
3-turns >33< >>><<< >33< >33< >>3<< >33< >33 3-turns
bridge-2 dd GG bridge-2
bridge-1 ccccc EEE A F*FFFFF FFFFFF bridge-1
sheets BBBBB CCC DDDDDDD DDDDDD sheets
4-turns >>44<< >>>>XX<<<< >>>><<<< >>>>XXXXXXXXXXXX<<<< 4-turns
summary hHHHHht eEEEEEehHHHHHHHHhTeEEEHHHHHHhtSSS S S hHHHHHHHHHHHHHHHHHHh BSSSgGGeEEEEEEETTEEEEEEeT summary
sequence TGIDSEITSQAGPQLVVPANARYALNAANARWGSLYDALYGSDIIPQEGAVSGYDPQRGEQVIAWVRRFLDESLPLENGSYQDVVAFKVVDKQLRIQLKN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand S EE BSSGGGEEEEES TTS SEEEEEETTEEEEEEE TTSTTGGG TT EEEEEEE EEEEESSTT SHHHHHHHHHHHHH Kabs/Sand
chirality +-+---+-++++---+--++--+--+-+--+------+-++-+++++-+-++-----++-+----++-++-+++-++++++++++++ ++ ----- chirality
bends S SSSSS SS SSS S SSS SSSSSSSS SS SSSS SSSSSSSSSSSSS bends
turns T TTTTT TTTT TTTT TTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns < >>3<< >33< >33< >33< >>333< 3-turns
bridge-2 II JJJJJJ KKKKK K*KKKK lllll bridge-2
bridge-1 GG A H*HHH HHHH JJJJJJ EEE ccccc bridge-1
sheets DD CCCCC CCCCCC CCCCCCC CCCCCCC BBBBB sheets
4-turns >4>4<4< >>>>XXXXXXX<<<< 4-turns
summary teEE BSgGGeEEEEEStTTt eEEEEEETTEEEEEEEeTTtTgGGGgTTeEEEEEEEe eEEEEEetTTt hHHHHHHHHHHHHHh summary
sequence GKETTLRTPAQFVGYRGDAAAPTCILLKNNGLHIELQIDANGRIGKDDPAHINDVIVEAAISTILDCEDSVAAVDAEDKILLYRNLLGLQGTLQRKLNDD sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEETTS EEEE S EEEEE TTEE TTS B HHHHHH HHHHHHHHHH SS SSS EEEE HHHHHHHHHHHHHHH TT EE Kabs/Sand
chirality -+---+-+-+----+---+------ -++---+-+----+++++ +++++++++-+++-+-+------ -++++++++++++++ +++ chirality
bends SSS S SS SSS SSSSS SSSSSSSSS SS SSS SSSSSSSSSSSSSS S bends
turns TTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >>333< 3-turns
bridge-2 MMMM nn B bridge-2
bridge-1 II MMMM lllll BB B oonn oo bridge-1
sheets CCCCC CCCC BBBBB AA BBBB BB sheets
4-turns >>>><<<<>>44XX>><<<< >>>>XXXXXXXXX<<<< 4-turns
summary EEEEEeTteEEEE S EEEEEe tTeEEtTTt B hHHHHHHhhHHHHHHHHHHhSS SSS EEEE hHHHHHHHHHHHHHHHh tTTeEE summary
sequence RHYTAADGSEISLHGRSLLFIRNVGHLTIPVIWDSEGNEIPEGILDGVTGAIALYDLKVQKNSRTGSVYIVKPKHGPQEVAFANKLFTRIETLGAPNTLK sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand B SHHHHHTHHHHHHTTTTT EEE HHHHHHH TT HHHHHHHHHHHHHHHHTT TTTSEEEE STHHHHHTT S Kabs/Sand
chirality +-+++++++++++++++++++-----++++++ - -+ +-++++++++++++++++-++-++---- ++++++++-+-+ chirality
bends SSSSSSS SSSSSSSSSS SSSSS S SSSSSSSSSSSSSSSSSS SSSS SSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33X>3<< >>3X<3< >33< >33<>33< >>3<<>33< 3-turns
bridge-2 c qq bridge-2
bridge-1 c ppp ppp bridge-1
sheets BBB BBBB sheets
4-turns >>>4<>><<<<>444< >>>>X<<<< >>>>XXXXXXXXXX<<<< >444< >>>4<<< 4-turns
summary B hHHHHHhHHHHHHhTTTTteEEEehHHHHHHHh tTTt hHHHHHHHHHHHHHHHHhTtTTTtEEEE thHHHHHhTtS summary
sequence GIDEERRTSLNLRSCIAQARNRVAFINTGFLDRTGDEHSVEAGPLRKNQKSTPWIKAYERNNVLSGLFCGLRGKAQIGKGWAPDLADYSQKGDQLRAGAN sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand EEEESSHHHHHHHHHHHHHS HHHHHHHHHHS GGGGHHHHHHHHTS SS HHHHHHHHHHHHHHHHHHHHHHHHH S EE TTS EE H Kabs/Sand
chirality ----+-+++++++++++++--++++++++++-++++++++++++++--+----++--++++++++++++++++++++++++-+-++-----+-+- -+ chirality
bends SSSSSSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSSSSSS SS SSSSSSSSSSSSSSSSSSSSSSSSS S SSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TT turns
5-turns >5555< 5-turns
3-turns >>>X<<< >>3<<>>><<< >33< >33< >3 3-turns
bridge-2 bridge-2
bridge-1 qqdd RR RR bridge-1
sheets BBBB EE EE sheets
4-turns >>>>XX<<<<>>>>XXXX<<<< >44>X>>XX<<<< >>>>XXXXXXXXXXXXXXXXXXX<<<< >> 4-turns
summary EEEEShHHHHHHHHHHHHHhhHHHHHHHHHHhgGGGhHHHHHHHHht SS hHHHHHHHHHHHHHHHHHHHHHHHHHh S EEeTTteEE hH summary
sequence TAWVPSPTAATLHALHYHQTNVQSVQANIAQTEFNAEFEPLLDDLLTIPVAENANWSAQEIQQELDNNVQGILGYVVRWVEQGIGCSKVPDIHNVALEDR sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand HHHHHHHHHHHHHHHTTSS HHHHHHHHH HHHHHHTTT TT TTT HHHHHHHHHHHTGGGSGGG SHHHHHHHHHHHTT Kabs/Sand
chirality +++++++++++++++-++--++++++++ +++++++++-++- +++++-+++++++++++++++---+-+++++++++++++ chirality
bends SSSSSSSSSSSSSSSSSSS SSSSSSSS SSSSSSSS SS SSS SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3< >33< >3><3X33< >33< >3>X33<< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>XXXXXXXXXX<<<< >>>>XXX<<<<>>>><<<< >444X>>>XXXXX<<<< >>>>XXXXX<<<< 4-turns
summary HHHHHHHHHHHHHHHhTtShHHHHHHHHHhhHHHHHHhTTtTTt tTTThHHHHHHHHHHHhGGGgGGGghHHHHHHHHHHHhtt summary
sequence ATLRISSQHIANWLRHGILTKEQVQASLENAKVVDQQNAGDPAYRPAGNFANSCAFKAASDLIFLGVKQPNGYTEPLLHAWRLREKES sequence
610 620 630 640 650 660 670 680
Messages
chain break between 119(A 121 ) and 120(A 123 )
chain break between 150(A 153 ) and 151(A 155 )
chain break between 289(A 293 ) and 290(A 295 )
chain break between 294(A 299 ) and 295(A 311 )
chain break between 327(A 343 ) and 328(A 345 )
chain break between 348(A 365 ) and 349(A 367 )
chain break between 374(A 392 ) and 375(A 394 )
chain break between 392(A 411 ) and 393(A 413 )
chain break between 394(A 414 ) and 395(A 416 )
chain break between 400(A 421 ) and 401(A 423 )
chain break between 402(A 424 ) and 403(A 426 )
chain break between 437(A 460 ) and 438(A 462 )
chain break between 440(A 464 ) and 441(A 466 )
chain break between 444(A 469 ) and 445(A 471 )
chain break between 449(A 475 ) and 450(A 477 )
chain break between 480(A 507 ) and 481(A 509 )
chain break between 482(A 510 ) and 483(A 512 )
chain break between 485(A 514 ) and 486(A 516 )
chain break between 487(A 517 ) and 488(A 519 )
chain break between 597(A 628 ) and 598(A 630 )
chain break between 630(A 662 ) and 631(A 664 )
chain break between 646(A 679 ) and 647(A 681 )