Secondary structure calculation program - copyright by David Keith Smith, 1989
1reqB.pdb
1REQ ISOMERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 619
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 B 20 THR T 0 0 999.9 -24.5 -177.5 999.9 999.9 999.9 0 0.0 3 -0.6 0 0.0 0 0.0 2 6
2 B 21 LEU L - 0 0 -64.8 120.5 -178.5 -150.0 999.9 113.3 0 0.0 0 0.0 0 0.0 0 0.0 3 7
3 B 22 SER S + 0 0 -90.0 122.6 -176.1 149.5 34.2 128.8 1 -0.6 0 0.0 0 0.0 0 0.0 6 9
4 B 23 LEU L S g > TS+ 0 0 -118.4 -74.0 171.0 19.6 79.7 66.7 0 0.0 7 -1.2 0 0.0 0 0.0 6 10
5 B 24 ALA A G G > TS+ 0 0 -70.1 -23.4 171.8 70.9 117.0 29.1 0 0.0 8 -1.5 0 0.0 0 0.0 6 11
6 B 25 GLY G G G 3 TS+ 0 0 -69.1 -5.1 171.0 68.5 84.0 45.9 0 0.0 0 0.0 0 0.0 0 0.0 7 11
7 B 26 ASP D G G < TS+ 0 0 -79.3 -12.3 -177.9 55.4 101.8 60.6 4 -1.2 0 0.0 0 0.0 0 0.0 6 10
8 B 27 PHE F S g < TS- 0 0 -120.7 160.0 176.5 -79.9 101.3 154.5 5 -1.5 0 0.0 0 0.0 0 0.0 6 11
9 B 28 PRO P - 0 0 -56.4 146.8 -177.7 -89.5 61.7 99.5 0 0.0 11 -0.6 0 0.0 0 0.0 5 13
10 B 29 LYS K - 0 0 -66.2 112.3 178.4 -136.4 45.4 121.1 0 0.0 0 0.0 0 0.0 0 0.0 6 13
11 B 30 ALA A - 0 0 -70.3 144.9 179.6 -158.2 23.5 116.5 9 -0.6 0 0.0 0 0.0 0 0.0 6 17
12 B 31 THR T h > T - 0 0 -121.8 162.6 175.7 -110.5 29.8 148.4 0 0.0 16 -2.1 0 0.0 0 0.0 6 18
13 B 32 GLU E H H > TS+ 0 0 -54.7 -45.8 175.7 56.2 115.9 18.6 0 0.0 17 -3.1 0 0.0 0 0.0 6 22
14 B 33 GLU E H H > TS+ 0 0 -58.6 -42.9 170.5 50.9 105.3 20.1 0 0.0 18 -2.5 0 0.0 0 0.0 6 20
15 B 34 GLN Q H H > TS+ 0 0 -62.7 -43.3 179.1 45.9 112.7 15.6 0 0.0 19 -2.5 0 0.0 0 0.0 8 18
16 B 35 TRP W H H X TS+ 0 0 -66.9 -41.0 175.3 52.5 111.2 19.3 12 -2.1 20 -2.9 0 0.0 0 0.0 9 24
17 B 36 GLU E H H X TS+ 0 0 -57.6 -44.4 173.0 51.0 108.5 22.1 13 -3.1 21 -2.2 0 0.0 0 0.0 9 30
18 B 37 ARG R H H X TS+ 0 0 -59.8 -40.6 167.9 50.7 109.4 19.5 14 -2.5 22 -2.6 0 0.0 0 0.0 9 23
19 B 38 GLU E H H X TS+ 0 0 -65.3 -36.1 174.6 50.4 109.9 19.3 15 -2.5 23 -1.6 0 0.0 0 0.0 8 26
20 B 39 VAL V H H X TS+ 0 0 -62.0 -46.0 179.5 50.2 109.8 21.4 16 -2.9 24 -2.5 0 0.0 0 0.0 10 32
21 B 40 GLU E H H X TS+ 0 0 -56.8 -51.4 171.2 56.3 106.3 13.6 17 -2.2 25 -2.7 0 0.0 0 0.0 12 31
22 B 41 LYS K H H X TS+ 0 0 -45.8 -51.0 -179.0 45.1 110.5 31.8 18 -2.6 26 -0.5 0 0.0 0 0.0 8 25
23 B 42 VAL V H H < > TS+ 0 0 -67.1 -44.5 179.1 42.4 115.8 21.7 19 -1.6 26 -0.9 0 0.0 0 0.0 7 25
24 B 43 LEU L H H < 3 TS+ 0 0 -81.1 -16.3 169.6 53.4 113.5 38.5 20 -2.5 0 0.0 0 0.0 0 0.0 8 29
25 B 44 ASN N H H < > TS+ 0 0 -80.7 -11.7 -178.8 118.8 77.2 55.9 21 -2.7 28 -2.3 0 0.0 0 0.0 9 26
26 B 45 ARG R T h < < TS+ 0 0 -24.9 -67.0 -179.0 9.7 88.7 44.0 23 -0.9 0 0.0 22 -0.5 0 0.0 6 19
27 B 46 GLY G T T 3 TS+ 0 0 -116.3 39.2 -178.7 124.4 97.4 93.9 0 0.0 0 0.0 0 0.0 0 0.0 4 14
28 B 47 ARG R t < T - 0 0 -94.6 132.2 -179.4 -107.4 66.9 143.3 25 -2.3 0 0.0 0 0.0 0 0.0 7 17
29 B 48 PRO P t > T - 0 0 -58.6 155.5 178.5 -95.0 37.3 100.6 0 0.0 32 -2.3 0 0.0 0 0.0 6 14
30 B 49 PRO P T T 3 TS+ 0 0 -48.9 -24.1 169.7 39.9 123.8 54.2 0 0.0 0 0.0 0 0.0 0 0.0 5 13
31 B 50 GLU E T T 3 TS+ 0 0 -114.9 35.6 179.3 69.8 105.6 95.4 0 0.0 0 0.0 0 0.0 0 0.0 4 12
32 B 51 LYS K t < T + 0 0 -136.5 24.7 178.8 143.5 67.7 90.0 29 -2.3 0 0.0 0 0.0 0 0.0 6 17
33 B 52 GLN Q - 0 0 -72.7 130.7 179.1 -137.1 42.6 122.7 0 0.0 0 0.0 0 0.0 0 0.0 8 24
34 B 53 LEU L - 0 0 -90.8 137.7 175.1 -142.1 7.5 130.0 0 0.0 0 0.0 0 0.0 0 0.0 10 26
35 B 54 THR T h > T - 0 0 -82.2 171.3 173.9 -98.0 38.1 126.5 0 0.0 39 -2.2 0 0.0 0 0.0 7 29
36 B 55 PHE F H H > TS+ 0 0 -57.7 -47.2 178.1 57.2 124.6 27.0 0 0.0 40 -3.7 0 0.0 0 0.0 10 30
37 B 56 ALA A H H > TS+ 0 0 -53.7 -42.9 170.6 45.1 109.2 18.8 0 0.0 41 -2.2 0 0.0 0 0.0 7 27
38 B 57 GLU E H H > TS+ 0 0 -62.2 -45.4 176.6 49.2 114.5 21.2 0 0.0 42 -2.2 0 0.0 0 0.0 8 25
39 B 58 CYS C H H X TS+ 0 0 -59.5 -45.6 174.6 52.9 108.9 14.0 35 -2.2 43 -1.8 0 0.0 0 0.0 12 30
40 B 59 LEU L H H X TS+ 0 0 -55.5 -44.0 173.8 50.0 108.1 19.2 36 -3.7 44 -0.6 0 0.0 0 0.0 10 31
41 B 60 LYS K H H < > TS+ 0 0 -62.4 -39.5 172.9 51.1 109.5 14.4 37 -2.2 44 -1.3 0 0.0 0 0.0 7 24
42 B 61 ARG R H H < 3 TS+ 0 0 -67.4 -23.8 175.8 49.1 111.5 29.8 38 -2.2 0 0.0 0 0.0 0 0.0 6 24
43 B 62 LEU L H H < 3 TS+ 0 0 -93.2 3.3 174.3 104.6 89.1 63.7 39 -1.8 0 0.0 0 0.0 0 0.0 8 27
44 B 63 THR T h < < T - 0 0 -83.6 130.9 -179.2 -149.8 60.8 128.5 41 -1.3 0 0.0 40 -0.6 0 0.0 10 25
45 B 64 VAL V E E AA - 53 0 -103.0 135.2 -178.1 -156.2 5.3 145.7 53 -3.0 53 -3.0 0 0.0 0 0.0 7 28
46 B 65 HIS H E E AA - 52 0 -115.7 113.4 -177.0 -140.9 12.0 172.8 0 0.0 0 0.0 0 0.0 0 0.0 9 31
47 B 66 THR T e > T - 0 0 -68.9 172.6 174.8 -97.3 33.5 109.3 51 -2.2 50 -1.7 0 0.0 0 0.0 8 47
48 B 67 VAL V T T 3 TS+ 0 0 -50.8 -44.9 175.6 45.8 127.4 19.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
49 B 68 ASP D T T 3 TS- 0 0 -88.9 26.3 171.9 -96.8 126.5 90.4 0 0.0 0 0.0 0 0.0 0 0.0 9 48
50 B 69 GLY G t < T + 0 0 69.3 28.3 168.2 150.7 66.4 44.9 47 -1.7 0 0.0 0 0.0 0 0.0 6 35
51 B 70 ILE I e - 0 0 -86.0 127.5 179.5 -140.0 39.6 140.9 0 0.0 47 -2.2 0 0.0 0 0.0 9 46
52 B 71 ASP D E E AA - 46 0 -90.3 119.0 -176.2 -166.6 16.4 145.5 0 0.0 54 -0.5 0 0.0 0 0.0 8 34
53 B 72 ILE I E E AA - 45 0 -113.4 118.4 -178.1 -157.7 6.4 174.6 45 -3.0 45 -3.0 0 0.0 0 0.0 9 38
54 B 73 VAL V - 0 0 -90.4 165.1 -175.0 -114.0 25.4 120.1 52 -0.5 0 0.0 0 0.0 0 0.0 9 33
55 B 74 PRO P S S S+ 0 0 -77.9 -25.0 176.6 33.6 94.1 49.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
56 B 75 MET M - 0 0 -138.9 136.9 178.3 -163.2 59.5 176.8 0 0.0 0 0.0 0 0.0 0 0.0 5 34
57 B 76 TYR Y - 0 0 -113.1 153.9 -167.7 -156.9 16.1 149.2 0 0.0 0 0.0 0 0.0 0 0.0 9 32
58 B 77 ARG R g > T - 0 0 -130.9 165.4 -177.0 -88.9 36.8 139.3 0 0.0 61 -2.1 0 0.0 0 0.0 8 25
59 B 78 PRO P G G > TS+ 0 0 -53.7 -35.0 171.9 64.4 120.3 20.4 0 0.0 62 -2.1 0 0.0 0 0.0 6 22
60 B 79 LYS K G G 3 TS+ 0 0 -62.2 -14.9 172.3 65.4 93.0 47.5 0 0.0 0 0.0 0 0.0 0 0.0 6 20
61 B 80 ASP D G G < TS+ 0 0 -81.7 -10.8 179.8 67.7 93.9 66.8 58 -2.1 0 0.0 0 0.0 0 0.0 10 28
62 B 81 ALA A S g < TS- 0 0 -109.5 151.1 172.2 -108.7 93.1 154.1 59 -2.1 0 0.0 0 0.0 0 0.0 12 29
63 B 82 PRO P - 0 0 -67.3 155.2 178.5 -124.2 21.9 120.8 0 0.0 0 0.0 0 0.0 0 0.0 8 29
64 B 83 LYS K S S S+ 0 0 -67.7 -44.8 177.1 51.4 101.4 23.5 0 0.0 66 -0.8 0 0.0 0 0.0 4 20
65 B 84 LYS K - 0 0 -92.8 117.7 171.6 -165.1 68.7 143.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
66 B 85 LEU L - 0 0 -72.8 -27.9 178.4 -155.9 30.2 39.7 64 -0.8 0 0.0 0 0.0 0 0.0 7 35
67 B 86 GLY G - 0 0 79.6 172.1 -161.9 -81.8 12.4 109.1 0 0.0 0 0.0 0 0.0 0 0.0 7 34
68 B 87 TYR Y t > T - 0 0 -135.1 141.3 177.7 -109.0 30.4 169.9 0 0.0 71 -1.0 0 0.0 0 0.0 9 37
69 B 88 PRO P T T 3 TS+ 0 0 -73.4 143.9 -179.4 27.1 103.0 110.0 0 0.0 0 0.0 0 0.0 0 0.0 14 49
70 B 89 GLY G T T 3 TS+ 0 0 78.6 8.7 -176.0 81.9 110.5 56.5 77 -3.0 0 0.0 0 0.0 0 0.0 12 40
71 B 90 VAL V S t X TS- 0 0 -141.9 134.7 174.0 -53.2 89.3 177.8 68 -1.0 74 -2.1 0 0.0 0 0.0 11 37
72 B 91 ALA A T T 3 TS+ 0 0 -46.8 142.0 3.5 39.2 122.8 96.9 0 0.0 0 0.0 0 0.0 0 0.0 12 38
73 B 92 PRO P T T 3 TS- 0 0 -78.3 4.8 -177.7 -162.1 81.5 170.5 0 0.0 0 0.0 0 0.0 0 0.0 10 46
74 B 93 PHE F t X T + 0 0 63.0 8.5 172.7 125.3 49.8 73.4 71 -2.1 77 -1.5 0 0.0 0 0.0 16 57
75 B 94 THR T T T 3 TS+ 0 0 -52.1 -50.3 176.7 50.8 74.8 24.7 0 0.0 0 0.0 0 0.0 0 0.0 11 66
76 B 95 ARG R T T 3 TS- 0 0 -66.6 -19.7 -179.9 -54.6 127.8 54.4 0 0.0 0 0.0 0 0.0 0 0.0 14 63
77 B 96 GLY G t < T - 0 0 153.4 154.3 172.1 -135.5 27.8 137.7 74 -1.5 70 -3.0 0 0.0 0 0.0 16 60
78 B 97 THR T S S S+ 0 0 -94.4 -54.0 -172.3 50.5 92.6 34.4 0 0.0 80 -0.5 0 0.0 0 0.0 13 59
79 B 98 THR T S S S- 0 0 -99.8 126.9 -177.4 -129.2 84.9 150.7 0 0.0 0 0.0 0 0.0 0 0.0 8 52
80 B 99 VAL V - 0 0 -76.5 133.0 176.9 -141.5 15.8 114.6 78 -0.5 0 0.0 0 0.0 0 0.0 8 44
81 B 100 ARG R - 0 0 -90.4 145.3 -179.3 -152.7 2.2 146.9 0 0.0 0 0.0 0 0.0 0 0.0 10 35
82 B 101 ASN N - 0 0 -98.9 2.5 178.5 -97.5 47.4 65.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
83 B 102 GLY G S S S+ 0 0 96.4 -0.7 174.8 133.0 80.0 62.9 0 0.0 0 0.0 0 0.0 0 0.0 8 25
84 B 103 ASP D - 0 0 -77.5 155.3 -176.0 -117.1 65.3 125.7 0 0.0 0 0.0 0 0.0 0 0.0 8 24
85 B 104 MET M S S S+ 0 0 -69.4 -37.2 178.5 62.3 104.4 31.2 0 0.0 87 -1.8 0 0.0 0 0.0 9 30
86 B 105 ASP D + 0 0 -88.6 80.3 -174.5 153.1 65.4 121.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43
87 B 106 ALA A + 0 0 -78.6 -37.8 -172.1 40.4 54.6 52.8 85 -1.8 0 0.0 0 0.0 0 0.0 11 49
88 B 107 TRP W S S S- 0 0 -114.0 177.8 -177.6 -100.0 90.7 144.5 0 0.0 90 -0.5 0 0.0 0 0.0 10 58
89 B 108 ASP D E E Bb - 338 0 -99.5 124.7 175.2 -139.8 25.4 142.6 337 -2.0 339 -1.9 0 0.0 91 -0.9 11 64
90 B 109 VAL V E E Bb - 339 0 -80.7 110.7 -178.3 -169.0 23.8 142.6 88 -0.5 115 -3.2 0 0.0 116 -1.6 14 66
91 B 110 ARG R E E Bc - 116 0 -109.5 112.8 -177.4 -149.5 7.6 156.7 339 -1.7 0 0.0 89 -0.9 0 0.0 13 66
92 B 111 ALA A E E Bc - 117 0 -87.8 139.5 -177.2 -129.7 11.5 126.0 116 -1.8 118 -2.2 0 0.0 0 0.0 14 66
93 B 112 LEU L E E Bc - 118 0 -88.8 121.8 180.0 -174.5 24.7 136.1 0 0.0 0 0.0 0 0.0 0 0.0 11 74
94 B 113 HIS H E E Bc + 119 0 -124.4 119.3 -175.7 144.4 23.5 171.0 118 -2.9 120 -2.2 0 0.0 0 0.0 10 73
95 B 114 GLU E + 0 0 -132.0 1.5 -173.4 126.3 26.1 74.7 0 0.0 0 0.0 0 0.0 0 0.0 11 65
96 B 115 ASP D - 0 0 -76.8 126.3 178.2 -152.6 47.5 125.4 0 0.0 0 0.0 0 0.0 0 0.0 10 56
97 B 116 PRO P S S S+ 0 0 -64.2 -37.4 173.1 99.8 70.3 29.2 0 0.0 99 -0.5 0 0.0 0 0.0 10 45
98 B 117 ASP D h > T - 0 0 -52.1 115.8 179.4 -156.5 64.8 104.4 0 0.0 102 -2.2 0 0.0 0 0.0 7 41
99 B 118 GLU E H H > TS+ 0 0 -73.6 -22.3 176.5 50.9 87.2 39.0 97 -0.5 103 -1.3 0 0.0 0 0.0 11 37
100 B 119 LYS K H H > TS+ 0 0 -81.8 -34.8 177.9 49.1 111.4 29.8 0 0.0 104 -1.4 0 0.0 0 0.0 7 31
101 B 120 PHE F H H > TS+ 0 0 -60.4 -60.0 -174.4 44.7 113.6 9.9 0 0.0 105 -3.0 0 0.0 0 0.0 8 37
102 B 121 THR T H H X TS+ 0 0 -57.7 -42.1 176.8 52.7 110.4 28.8 98 -2.2 106 -3.3 0 0.0 0 0.0 13 50
103 B 122 ARG R H H X TS+ 0 0 -58.4 -50.5 169.8 41.2 116.0 25.6 99 -1.3 107 -1.8 0 0.0 0 0.0 13 45
104 B 123 LYS K H H X TS+ 0 0 -58.4 -49.3 176.8 47.6 117.5 23.9 100 -1.4 108 -2.8 0 0.0 0 0.0 9 41
105 B 124 ALA A H H X TS+ 0 0 -60.5 -49.7 174.5 52.0 110.7 19.6 101 -3.0 109 -2.4 0 0.0 0 0.0 9 49
106 B 125 ILE I H H X TS+ 0 0 -51.4 -57.3 -179.5 43.3 114.4 16.6 102 -3.3 110 -2.0 0 0.0 0 0.0 12 58
107 B 126 LEU L H H X TS+ 0 0 -59.3 -46.3 179.2 53.9 110.3 25.7 103 -1.8 111 -2.7 0 0.0 0 0.0 10 45
108 B 127 GLU E H H < TS+ 0 0 -57.9 -42.3 169.4 45.8 111.8 19.6 104 -2.8 0 0.0 0 0.0 0 0.0 8 40
109 B 128 GLY G H H < >>TS+ 0 0 -60.2 -51.5 -175.9 56.4 109.3 21.2 105 -2.4 114 -2.6 0 0.0 112 -1.5 13 51
110 B 129 LEU L H H < >5TS+ 0 0 -62.8 -27.2 163.0 45.4 108.8 22.6 106 -2.0 113 -0.6 0 0.0 0 0.0 10 44
111 B 130 GLU E T h < 35TS+ 0 0 -78.4 -8.8 -175.6 54.1 113.3 58.4 107 -2.7 0 0.0 0 0.0 0 0.0 7 29
112 B 131 ARG R T T <5TS- 0 0 -124.1 41.9 174.8 -72.9 131.6 98.9 109 -1.5 0 0.0 0 0.0 0 0.0 6 36
113 B 132 GLY G T T <5TS+ 0 0 85.8 9.6 171.4 136.0 83.0 60.6 110 -0.6 0 0.0 0 0.0 0 0.0 9 44
114 B 133 VAL V t TS- 0 0 -156.9 174.9 169.9 -83.5 82.2 175.0 126 -1.5 125 -1.9 120 -0.7 0 0.0 13 48
123 B 142 PRO P T T 3 TS+ 0 0 -59.6 -37.9 173.6 41.1 129.8 27.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36
124 B 143 ASP D T T 3 TS+ 0 0 -96.7 20.7 -178.1 27.8 126.9 81.6 0 0.0 0 0.0 0 0.0 0 0.0 10 38
125 B 144 ALA A S t < TS- 0 0 -148.4 -135.5 -179.5 -8.3 117.0 110.9 122 -1.9 0 0.0 0 0.0 0 0.0 11 45
126 B 145 ILE I B B a S- 121 0 -76.6 128.2 178.8 -125.3 71.9 125.3 120 -2.1 122 -1.5 0 0.0 0 0.0 16 53
127 B 146 ALA A t > > T - 0 0 -72.1 143.3 176.4 -121.3 15.7 126.7 0 0.0 130 -2.9 0 0.0 131 -1.1 10 44
128 B 147 PRO P T T 4 3 TS+ 0 0 -52.0 -34.8 166.2 53.5 113.6 33.1 0 0.0 0 0.0 0 0.0 0 0.0 10 47
129 B 148 GLU E T T 4 3 TS+ 0 0 -67.2 -19.5 -176.8 54.3 105.5 53.6 0 0.0 0 0.0 0 0.0 0 0.0 6 40
130 B 149 HIS H T h > X TS+ 0 0 -101.5 -6.8 177.0 90.2 81.5 46.6 127 -2.9 134 -1.9 0 0.0 133 -0.9 9 41
131 B 150 LEU L H H X 3 TS+ 0 0 -56.6 -45.5 174.3 55.1 82.9 31.5 127 -1.1 135 -1.8 0 0.0 0 0.0 13 61
132 B 151 ASP D H H 4 3 TS+ 0 0 -57.5 -42.7 178.1 45.3 110.9 31.1 0 0.0 0 0.0 0 0.0 0 0.0 10 44
133 B 152 GLU E H H 4 < TS+ 0 0 -75.1 -25.1 177.5 51.6 110.0 33.4 130 -0.9 0 0.0 0 0.0 0 0.0 8 37
134 B 153 VAL V H H < TS+ 0 0 -84.9 -19.3 168.6 47.6 113.2 28.3 130 -1.9 0 0.0 0 0.0 0 0.0 13 50
135 B 154 LEU L S h < > TS+ 0 0 -91.3 5.6 179.9 110.2 81.0 53.7 131 -1.8 138 -2.7 0 0.0 0 0.0 9 62
136 B 155 SER S T T 3 TS+ 0 0 -55.0 -38.3 177.2 34.3 85.2 44.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
137 B 156 ASP D T T 3 TS+ 0 0 -94.9 -1.2 -175.1 113.1 93.0 67.8 0 0.0 139 -0.6 0 0.0 0 0.0 7 36
138 B 157 VAL V t < T - 0 0 -78.7 119.0 175.2 -140.6 64.7 131.5 135 -2.7 140 -1.4 0 0.0 0 0.0 7 48
139 B 158 LEU L t > > T - 0 0 -77.1 102.3 -178.8 -162.3 13.9 123.1 137 -0.6 143 -2.1 0 0.0 142 -1.9 6 40
140 B 159 LEU L T T 4 3 TS+ 0 0 -59.2 -24.0 176.4 58.9 85.0 53.7 138 -1.4 175 -0.7 0 0.0 0 0.0 10 46
141 B 160 GLU E T T 4 3 TS+ 0 0 -76.2 -30.1 173.9 33.0 117.4 43.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
142 B 161 MET M T T 4 < TS+ 0 0 -97.7 -31.6 -174.0 59.4 115.1 43.6 139 -1.9 0 0.0 0 0.0 0 0.0 6 38
143 B 162 THR T t < T - 0 0 -117.8 127.2 175.1 -143.3 64.8 155.5 139 -2.1 0 0.0 0 0.0 0 0.0 11 50
144 B 163 LYS K E E Bd - 116 0 -76.1 131.6 179.4 -160.5 20.2 124.9 115 -0.6 117 -2.1 0 0.0 0 0.0 12 60
145 B 164 VAL V E E Bde - 117 176 -110.8 135.1 174.3 -170.5 6.7 159.7 175 -0.9 177 -2.2 0 0.0 0 0.0 12 74
146 B 165 GLU E E E Bde - 118 177 -118.9 149.7 176.7 -163.8 2.3 161.7 117 -1.8 119 -2.1 0 0.0 0 0.0 12 80
147 B 166 VAL V E E Bd + 119 0 -127.6 156.9 173.8 179.4 7.7 162.9 177 -1.3 0 0.0 0 0.0 0 0.0 14 69
148 B 167 PHE F E E Bd - 120 0 -151.6 156.8 -177.1 -168.7 4.2 166.3 119 -1.7 121 -2.9 0 0.0 0 0.0 13 66
149 B 168 SER S - 0 0 -148.4 145.1 175.8 -165.9 23.3 171.8 0 0.0 0 0.0 0 0.0 0 0.0 11 59
150 B 169 ARG R S S S+ 0 0 -95.8 -27.3 -173.7 30.7 97.1 48.3 0 0.0 0 0.0 0 0.0 0 0.0 8 59
151 B 170 TYR Y S S S+ 0 0 -112.2 -9.9 177.2 11.4 131.0 51.7 0 0.0 0 0.0 0 0.0 0 0.0 8 49
152 B 171 ASP D h > T + 0 0 -171.5 81.9 -172.9 171.6 52.8 116.7 0 0.0 156 -1.6 0 0.0 0 0.0 8 46
153 B 172 GLN Q H H > TS+ 0 0 -65.5 -44.9 176.2 56.3 80.9 21.1 0 0.0 157 -3.6 0 0.0 0 0.0 12 57
154 B 173 GLY G H H > TS+ 0 0 -57.3 -46.2 168.1 50.9 106.7 14.9 0 0.0 158 -2.8 0 0.0 0 0.0 7 49
155 B 174 ALA A H H > TS+ 0 0 -53.7 -45.8 177.2 43.5 114.9 28.4 0 0.0 159 -2.8 0 0.0 0 0.0 8 41
156 B 175 ALA A H H X TS+ 0 0 -63.9 -51.2 179.7 45.4 116.6 17.2 152 -1.6 160 -2.9 0 0.0 0 0.0 15 54
157 B 176 ALA A H H X TS+ 0 0 -54.8 -55.4 174.2 46.5 116.6 7.1 153 -3.6 161 -3.4 0 0.0 0 0.0 12 58
158 B 177 GLU E H H X TS+ 0 0 -48.6 -56.6 175.4 50.3 112.8 18.5 154 -2.8 162 -3.0 0 0.0 0 0.0 8 47
159 B 178 ALA A H H X TS+ 0 0 -52.3 -51.0 177.7 43.3 114.5 31.9 155 -2.8 163 -1.8 0 0.0 0 0.0 12 45
160 B 179 LEU L H H X TS+ 0 0 -68.5 -43.0 175.2 47.5 114.7 17.9 156 -2.9 164 -1.9 0 0.0 0 0.0 12 60
161 B 180 VAL V H H X TS+ 0 0 -64.7 -39.2 171.8 55.9 109.5 17.3 157 -3.4 165 -3.5 0 0.0 0 0.0 11 55
162 B 181 SER S H H X TS+ 0 0 -54.2 -49.3 171.9 50.0 106.7 18.1 158 -3.0 166 -2.3 0 0.0 0 0.0 8 42
163 B 182 VAL V H H < TS+ 0 0 -51.4 -48.2 176.7 42.3 115.3 29.5 159 -1.8 0 0.0 0 0.0 0 0.0 10 47
164 B 183 TYR Y H H < > TS+ 0 0 -65.4 -44.0 174.6 54.7 112.7 17.1 160 -1.9 167 -1.8 0 0.0 0 0.0 10 51
165 B 184 GLU E H H < 3 TS+ 0 0 -59.4 -33.8 174.2 51.1 107.1 32.5 161 -3.5 0 0.0 0 0.0 0 0.0 7 38
166 B 185 ARG R T h < 3 TS+ 0 0 -83.8 -2.4 179.9 102.3 88.6 64.9 162 -2.3 0 0.0 0 0.0 0 0.0 6 32
167 B 186 SER S S t < TS- 0 0 -79.3 157.8 176.5 -136.2 70.3 126.8 164 -1.8 0 0.0 0 0.0 0 0.0 6 32
168 B 187 ASP D S S S+ 0 0 -103.2 31.3 172.4 100.9 73.6 88.1 0 0.0 0 0.0 0 0.0 0 0.0 4 22
169 B 188 LYS K S S S- 0 0 -109.5 141.5 -178.1 -79.2 93.8 147.5 0 0.0 0 0.0 0 0.0 0 0.0 7 25
170 B 189 PRO P g > > T - 0 0 -46.9 120.8 176.9 -134.6 36.2 104.5 0 0.0 173 -2.2 0 0.0 174 -0.6 6 26
171 B 190 ALA A G G 4 > TS+ 0 0 -44.0 -50.0 172.3 58.5 102.8 29.6 0 0.0 174 -1.5 0 0.0 209 -0.7 10 33
172 B 191 LYS K G G 4 3 TS+ 0 0 -57.5 -13.7 175.2 56.1 101.3 58.5 0 0.0 0 0.0 0 0.0 0 0.0 9 30
173 B 192 ASP D G G 4 < TS+ 0 0 -93.4 -18.7 -179.0 83.9 93.3 54.3 170 -2.2 0 0.0 0 0.0 0 0.0 9 30
174 B 193 LEU L g < < T - 0 0 -98.1 132.4 -179.3 -161.0 61.6 142.3 171 -1.5 209 -1.8 170 -0.6 0 0.0 14 41
175 B 194 ALA A e + 0 0 -117.0 143.3 -173.6 166.8 14.4 149.7 140 -0.7 145 -0.9 0 0.0 0 0.0 15 53
176 B 195 LEU L E E Be - 145 0 -156.0 147.5 -176.4 -140.6 28.1 173.8 0 0.0 213 -2.3 0 0.0 178 -0.5 12 66
177 B 196 ASN N E E Bef - 146 213 -112.5 124.8 -177.6 -167.5 8.5 166.0 145 -2.2 147 -1.3 0 0.0 0 0.0 13 73
178 B 197 LEU L E E B * - 0 0 -83.3 -27.5 176.6 -142.0 24.6 42.9 213 -2.5 0 0.0 176 -0.5 0 0.0 15 69
179 B 198 GLY G E E B * + 0 0 77.2 34.1 -178.3 174.1 30.3 38.7 0 0.0 0 0.0 0 0.0 0 0.0 15 70
180 B 199 LEU L E E B f + 0 215 -77.5 140.4 180.0 154.4 11.9 122.0 214 -2.8 216 -1.7 0 0.0 0 0.0 13 73
181 B 200 ASP D h > T + 0 0 -167.6 82.5 178.7 173.6 10.5 120.0 0 0.0 185 -2.8 0 0.0 0 0.0 11 70
182 B 201 PRO P H H > TS+ 0 0 -64.9 -33.1 176.7 48.8 84.2 30.4 0 0.0 186 -2.2 0 0.0 0 0.0 9 65
183 B 202 ILE I H H > TS+ 0 0 -73.8 -42.5 175.0 49.4 112.6 8.1 0 0.0 187 -2.8 0 0.0 0 0.0 13 66
184 B 203 GLY G H H > TS+ 0 0 -58.6 -43.7 169.5 46.5 113.5 28.5 0 0.0 188 -1.7 0 0.0 0 0.0 11 70
185 B 204 PHE F H H X TS+ 0 0 -62.1 -44.9 176.9 52.5 110.1 21.6 181 -2.8 189 -2.9 0 0.0 0 0.0 11 63
186 B 205 ALA A H H X >TS+ 0 0 -57.1 -52.9 171.0 52.7 107.9 9.2 182 -2.2 190 -3.1 0 0.0 191 -1.0 14 49
187 B 206 ALA A H H < 5TS+ 0 0 -50.2 -43.8 171.6 42.8 114.1 28.4 183 -2.8 469 -2.5 0 0.0 0 0.0 12 59
188 B 207 LEU L H H < 5TS+ 0 0 -71.6 -33.3 -177.5 37.3 122.5 33.4 184 -1.7 468 -1.7 0 0.0 0 0.0 13 51
189 B 208 GLN Q H H < 5TS- 0 0 -89.9 -25.0 -176.3 -127.6 99.5 48.1 185 -2.9 467 -0.5 0 0.0 0 0.0 11 37
190 B 209 GLY G T h < 5T + 0 0 77.4 34.6 -174.9 124.2 70.0 34.7 186 -3.1 0 0.0 0 0.0 0 0.0 11 38
191 B 210 THR T S t T + 0 0 -115.5 94.5 -178.1 164.7 22.5 141.7 0 0.0 197 -0.5 0 0.0 0 0.0 8 41
195 B 214 LEU L T T 3 T + 0 0 -92.1 11.8 -176.8 94.3 50.1 78.7 193 -0.6 0 0.0 0 0.0 0 0.0 9 49
196 B 215 THR T T T 3 TS+ 0 0 -85.8 -20.2 172.7 57.0 78.5 36.2 0 0.0 0 0.0 0 0.0 0 0.0 7 34
197 B 216 VAL V S h > < TS+ 0 0 -83.2 -4.6 -179.4 89.9 80.5 56.1 194 -0.5 201 -2.4 0 0.0 0 0.0 7 41
198 B 217 LEU L H H > TS+ 0 0 -56.0 -55.3 172.5 49.0 87.3 11.3 0 0.0 202 -2.2 0 0.0 0 0.0 11 55
199 B 218 GLY G H H > TS+ 0 0 -47.4 -49.8 170.1 54.6 108.9 28.6 0 0.0 203 -1.8 0 0.0 0 0.0 11 42
200 B 219 ASP D H H > > TS+ 0 0 -41.9 -61.0 176.5 48.4 108.8 7.3 0 0.0 204 -2.5 0 0.0 203 -0.8 7 37
201 B 220 TRP W H H X 3 TS+ 0 0 -57.4 -36.0 170.2 52.6 108.9 29.4 197 -2.4 205 -1.0 0 0.0 0 0.0 9 53
202 B 221 VAL V H H < 3 TS+ 0 0 -66.4 -32.4 179.6 49.0 109.4 33.5 198 -2.2 0 0.0 0 0.0 0 0.0 11 52
203 B 222 ARG R H H < X TS+ 0 0 -77.5 -34.8 170.8 55.4 107.7 15.3 199 -1.8 206 -1.9 200 -0.8 0 0.0 7 39
204 B 223 ARG R H H < 3 TS+ 0 0 -61.1 -27.9 176.4 47.4 109.0 40.8 200 -2.5 0 0.0 0 0.0 0 0.0 7 40
205 B 224 LEU L T h < 3 TS+ 0 0 -101.6 16.6 173.4 95.1 82.9 72.3 201 -1.0 0 0.0 0 0.0 0 0.0 11 49
206 B 225 ALA A S t < TS+ 0 0 -78.0 -28.5 169.3 64.6 76.7 23.1 203 -1.9 0 0.0 0 0.0 0 0.0 8 36
207 B 226 LYS K S S S+ 0 0 -52.1 -48.4 -177.0 65.0 98.8 34.0 0 0.0 0 0.0 0 0.0 0 0.0 7 35
208 B 227 PHE F S S S- 0 0 -80.8 175.9 -177.8 -57.0 100.0 97.6 0 0.0 0 0.0 0 0.0 0 0.0 12 42
209 B 228 SER S t > T - 0 0 -44.9 161.7 167.0 -117.6 42.9 90.2 174 -1.8 212 -1.2 171 -0.7 0 0.0 11 35
210 B 229 PRO P T T 3 TS+ 0 0 -74.7 -14.0 170.0 69.1 112.5 41.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
211 B 230 ASP D T T 3 TS+ 0 0 -74.6 -18.4 174.8 105.1 78.8 47.9 0 0.0 0 0.0 0 0.0 0 0.0 6 49
212 B 231 SER S t < T - 0 0 -66.9 139.9 -171.9 -160.8 56.6 99.2 209 -1.2 0 0.0 0 0.0 0 0.0 11 56
213 B 232 ARG R E E Bf - 177 0 -134.2 133.2 179.3 -167.8 19.6 175.6 176 -2.3 178 -2.5 0 0.0 0 0.0 16 66
214 B 233 ALA A E E B* S+ 0 0 -80.5 -45.3 -174.0 53.0 74.9 45.9 260 -0.9 180 -2.8 0 0.0 0 0.0 14 67
215 B 234 VAL V E E Bfg - 180 261 -102.6 132.9 175.1 -178.5 52.0 151.7 260 -1.9 262 -2.9 0 0.0 0 0.0 13 71
216 B 235 THR T E E B g - 0 262 -128.3 98.2 176.4 -147.6 21.1 159.1 180 -1.7 218 -1.2 0 0.0 0 0.0 14 67
217 B 236 ILE I E E B g - 0 263 -66.2 104.9 -179.9 -151.4 13.9 125.5 262 -2.8 219 -2.0 0 0.0 264 -1.7 15 68
218 B 237 ASP D E E B g> T + 0 264 -81.1 95.6 174.5 165.4 28.5 111.9 216 -1.2 221 -0.9 0 0.0 0 0.0 11 71
219 B 238 ALA A T h > > T + 0 0 -82.0 -10.7 173.8 75.1 68.8 35.1 217 -2.0 223 -1.4 264 -1.4 222 -1.0 15 75
220 B 239 ASN N H H > 3 TS+ 0 0 -69.8 -24.3 168.5 71.5 80.9 33.4 264 -1.1 224 -3.0 0 0.0 0 0.0 11 68
221 B 240 ILE I H H 4 < TS+ 0 0 -55.1 -51.8 176.1 44.3 100.8 23.0 218 -0.9 0 0.0 0 0.0 0 0.0 9 67
222 B 241 TYR Y H H 4 X>TS+ 0 0 -63.9 -43.2 174.1 54.0 111.1 21.4 219 -1.0 227 -2.4 0 0.0 225 -1.2 10 70
223 B 242 HIS H H H < >5TS+ 0 0 -52.7 -50.9 176.4 53.2 105.6 9.8 219 -1.4 226 -2.9 0 0.0 0 0.0 13 60
224 B 243 ASN N T h < 35TS+ 0 0 -58.8 -19.6 172.9 49.7 108.9 49.3 220 -3.0 472 -1.0 0 0.0 0 0.0 13 57
225 B 244 ALA A T T <5TS- 0 0 -97.7 0.4 170.7 -84.2 134.8 73.8 222 -1.2 0 0.0 0 0.0 0 0.0 11 57
226 B 245 GLY G T T <5TS+ 0 0 119.1 -0.3 -173.8 152.4 72.5 53.5 223 -2.9 0 0.0 0 0.0 0 0.0 13 55
227 B 246 ALA A t T - 0 0 -88.5 -157.2 -178.5 -78.8 43.7 83.3 0 0.0 232 -1.4 0 0.0 0 0.0 10 67
229 B 248 ASP D H H > TS+ 0 0 -76.3 -42.6 -174.2 55.5 126.6 38.0 0 0.0 233 -1.5 0 0.0 0 0.0 12 74
230 B 249 VAL V H H > TS+ 0 0 -61.5 -46.8 -178.9 43.1 109.9 20.4 0 0.0 234 -2.2 0 0.0 0 0.0 12 65
231 B 250 ALA A H H > TS+ 0 0 -70.2 -41.4 174.0 52.1 113.1 24.9 0 0.0 235 -3.3 0 0.0 0 0.0 12 68
232 B 251 GLU E H H X TS+ 0 0 -58.8 -43.3 -176.8 42.0 115.2 31.2 228 -1.4 236 -1.5 0 0.0 0 0.0 14 80
233 B 252 LEU L H H X TS+ 0 0 -71.3 -47.5 179.0 47.8 117.1 23.3 229 -1.5 237 -1.8 0 0.0 0 0.0 12 76
234 B 253 ALA A H H X TS+ 0 0 -61.9 -46.6 -179.9 45.6 114.2 13.5 230 -2.2 238 -2.8 0 0.0 0 0.0 14 72
235 B 254 TRP W H H X TS+ 0 0 -75.2 -26.0 170.2 57.2 107.8 33.2 231 -3.3 239 -2.4 0 0.0 0 0.0 13 77
236 B 255 ALA A H H X TS+ 0 0 -60.8 -50.1 179.1 40.7 113.4 17.8 232 -1.5 240 -2.2 0 0.0 0 0.0 12 77
237 B 256 LEU L H H X TS+ 0 0 -63.2 -47.4 173.7 51.9 115.0 19.6 233 -1.8 241 -2.6 0 0.0 0 0.0 12 74
238 B 257 ALA A H H X TS+ 0 0 -57.9 -46.3 171.9 47.1 111.0 25.8 234 -2.8 242 -2.1 0 0.0 0 0.0 13 69
239 B 258 THR T H H X TS+ 0 0 -61.3 -47.0 176.7 53.0 111.4 17.9 235 -2.4 243 -2.3 0 0.0 0 0.0 13 71
240 B 259 GLY G H H X TS+ 0 0 -55.5 -52.2 176.1 49.8 107.1 24.1 236 -2.2 244 -1.7 0 0.0 0 0.0 10 76
241 B 260 ALA A H H X > TS+ 0 0 -55.3 -52.1 170.9 51.7 110.3 16.2 237 -2.6 245 -2.7 0 0.0 244 -0.9 9 69
242 B 261 GLU E H H X 3 TS+ 0 0 -49.4 -51.2 176.6 44.8 113.1 23.4 238 -2.1 246 -2.6 0 0.0 0 0.0 11 63
243 B 262 TYR Y H H X 3 TS+ 0 0 -69.7 -23.7 174.6 49.2 112.5 45.2 239 -2.3 247 -1.1 0 0.0 0 0.0 10 66
244 B 263 VAL V H H X < TS+ 0 0 -80.4 -42.1 175.4 47.1 114.2 24.5 240 -1.7 248 -2.5 241 -0.9 0 0.0 11 61
245 B 264 ARG R H H X TS+ 0 0 -57.9 -55.5 170.5 47.9 113.8 8.0 241 -2.7 249 -2.7 0 0.0 0 0.0 8 46
246 B 265 ALA A H H X TS+ 0 0 -52.5 -38.6 179.0 46.4 114.4 40.5 242 -2.6 250 -1.5 0 0.0 0 0.0 10 45
247 B 266 LEU L H H < >TS+ 0 0 -79.8 -31.3 173.5 50.5 111.0 29.6 243 -1.1 252 -2.0 0 0.0 0 0.0 14 42
248 B 267 VAL V H H < >5TS+ 0 0 -68.5 -43.9 170.1 53.9 108.2 14.4 244 -2.5 251 -1.6 0 0.0 0 0.0 11 36
249 B 268 GLU E H H < 35TS+ 0 0 -55.7 -41.8 170.7 54.0 106.2 28.0 245 -2.7 0 0.0 0 0.0 0 0.0 7 25
250 B 269 GLN Q T h < 35TS- 0 0 -77.7 23.8 172.3 -86.2 133.6 89.3 246 -1.5 0 0.0 0 0.0 0 0.0 8 25
251 B 270 GLY G T T <5TS+ 0 0 89.4 15.6 179.7 125.3 86.5 49.8 248 -1.6 0 0.0 0 0.0 0 0.0 7 25
252 B 271 PHE F t T - 0 0 -75.3 171.9 175.0 -111.1 30.3 113.2 0 0.0 257 -1.1 0 0.0 0 0.0 8 34
254 B 273 ALA A H H > > TS+ 0 0 -69.4 -43.5 166.4 59.5 119.5 5.1 0 0.0 258 -2.3 0 0.0 257 -1.5 13 41
255 B 274 THR T H H > 3 TS+ 0 0 -47.9 -40.7 173.2 46.3 105.6 34.0 0 0.0 259 -2.3 0 0.0 0 0.0 11 46
256 B 275 GLU E H H 4 3 TS+ 0 0 -74.8 -25.8 176.1 54.8 109.6 40.9 0 0.0 0 0.0 0 0.0 0 0.0 8 51
257 B 276 ALA A H H X X TS+ 0 0 -68.8 -51.1 171.7 45.2 111.2 9.5 254 -1.5 260 -2.0 253 -1.1 261 -0.9 13 62
258 B 277 PHE F H H < > TS+ 0 0 -59.3 -35.0 174.8 57.2 109.2 28.3 254 -2.3 261 -0.8 0 0.0 0 0.0 12 61
259 B 278 ASP D T h < 3 TS+ 0 0 -73.9 -10.1 176.9 42.1 110.1 57.6 255 -2.3 0 0.0 0 0.0 0 0.0 9 59
260 B 279 THR T T e 4 < TS+ 0 0 -109.1 -9.6 -179.9 91.0 98.4 59.9 257 -2.0 215 -1.9 0 0.0 214 -0.9 11 63
261 B 280 ILE I E E T - 0 0 -81.5 95.4 -173.0 -166.6 64.7 133.2 0 0.0 274 -2.5 0 0.0 0 0.0 7 55
271 B 290 GLN Q H H > TS+ 0 0 -55.8 -57.0 -170.3 36.5 78.4 24.4 269 -1.2 275 -2.0 0 0.0 0 0.0 10 44
272 B 291 PHE F H H > TS+ 0 0 -79.4 -22.8 175.2 53.5 115.9 35.1 0 0.0 276 -1.9 0 0.0 0 0.0 8 54
273 B 292 LEU L H H > TS+ 0 0 -76.1 -36.2 170.1 50.0 110.1 28.2 0 0.0 277 -2.0 0 0.0 0 0.0 9 63
274 B 293 THR T H H X TS+ 0 0 -59.5 -48.3 -179.8 46.0 112.5 19.7 270 -2.5 278 -2.3 0 0.0 0 0.0 17 66
275 B 294 ILE I H H X TS+ 0 0 -62.3 -51.1 -178.7 47.3 114.2 21.5 271 -2.0 279 -1.9 0 0.0 0 0.0 13 67
276 B 295 ALA A H H X TS+ 0 0 -60.5 -40.3 -178.0 50.2 112.0 29.0 272 -1.9 280 -2.3 0 0.0 0 0.0 14 67
277 B 296 ARG R H H X TS+ 0 0 -70.7 -42.8 173.1 50.6 109.3 27.5 273 -2.0 281 -2.3 0 0.0 0 0.0 14 76
278 B 297 LEU L H H X TS+ 0 0 -63.6 -35.4 174.7 41.7 116.9 25.2 274 -2.3 282 -1.1 0 0.0 0 0.0 14 84
279 B 298 ARG R H H X TS+ 0 0 -74.8 -37.0 -177.3 53.9 112.5 27.0 275 -1.9 283 -2.2 0 0.0 0 0.0 15 81
280 B 299 ALA A H H X TS+ 0 0 -71.8 -35.9 171.4 61.2 100.7 29.0 276 -2.3 284 -2.6 0 0.0 0 0.0 13 73
281 B 300 LEU L H H X TS+ 0 0 -55.0 -53.7 175.2 44.0 107.7 14.5 277 -2.3 285 -2.9 0 0.0 0 0.0 13 79
282 B 301 ARG R H H X TS+ 0 0 -64.8 -38.3 173.9 52.3 111.9 28.7 278 -1.1 286 -2.4 0 0.0 0 0.0 15 75
283 B 302 GLU E H H X TS+ 0 0 -59.4 -46.6 -177.4 38.3 117.4 23.1 279 -2.2 287 -0.9 0 0.0 0 0.0 12 64
284 B 303 ALA A H H X > TS+ 0 0 -70.9 -43.4 178.3 50.8 116.3 19.8 280 -2.6 288 -1.8 0 0.0 287 -0.7 11 61
285 B 304 TRP W H H X 3 TS+ 0 0 -64.2 -34.5 172.3 56.4 104.8 25.2 281 -2.9 289 -2.1 0 0.0 0 0.0 12 71
286 B 305 ALA A H H X 3 TS+ 0 0 -68.0 -29.5 170.9 51.5 106.8 33.7 282 -2.4 290 -2.0 0 0.0 0 0.0 14 58
287 B 306 ARG R H H X < TS+ 0 0 -68.5 -37.6 173.9 53.6 106.5 25.1 283 -0.9 291 -2.5 284 -0.7 0 0.0 9 47
288 B 307 ILE I H H X TS+ 0 0 -57.7 -57.3 166.1 47.4 110.8 11.2 284 -1.8 292 -2.4 0 0.0 0 0.0 9 56
289 B 308 GLY G H H X >TS+ 0 0 -42.6 -49.3 174.4 52.9 109.3 33.7 285 -2.1 294 -2.2 0 0.0 293 -1.0 15 49
290 B 309 GLU E H H < >5TS+ 0 0 -59.4 -45.2 175.5 45.6 111.7 18.7 286 -2.0 293 -0.7 0 0.0 0 0.0 10 34
291 B 310 VAL V H H < 35TS+ 0 0 -70.7 -33.2 172.3 46.9 115.5 24.6 287 -2.5 0 0.0 0 0.0 0 0.0 7 32
292 B 311 PHE F H H < 35TS- 0 0 -79.9 -10.8 -177.0 -115.6 114.9 59.6 288 -2.4 0 0.0 0 0.0 0 0.0 7 36
293 B 312 GLY G T h < <5T + 0 0 82.2 25.3 179.2 170.4 51.2 48.0 289 -1.0 0 0.0 290 -0.7 0 0.0 9 28
294 B 313 VAL V t T - 0 0 -50.0 131.7 -178.1 -122.5 43.4 112.3 0 0.0 298 -2.2 0 0.0 0 0.0 8 32
296 B 315 GLU E G G > TS+ 0 0 -53.3 -31.5 177.5 49.6 107.9 40.1 0 0.0 299 -1.0 0 0.0 0 0.0 10 35
297 B 316 ASP D G G 3 TS+ 0 0 -82.1 -14.7 176.9 54.4 108.9 52.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37
298 B 317 LYS K G G < TS+ 0 0 -102.6 17.1 178.3 98.1 76.5 74.2 295 -2.2 0 0.0 0 0.0 0 0.0 9 46
299 B 318 ARG R g < T + 0 0 -84.9 -0.7 178.8 113.1 54.4 64.2 296 -1.0 0 0.0 0 0.0 0 0.0 14 52
300 B 319 GLY G - 0 0 -76.3 126.8 174.1 -129.6 65.8 130.6 0 0.0 0 0.0 0 0.0 0 0.0 14 58
301 B 320 ALA A - 0 0 -73.0 144.1 -177.4 -141.9 15.0 108.0 0 0.0 303 -0.6 0 0.0 0 0.0 11 72
302 B 321 ARG R e - 0 0 -112.6 117.9 -176.9 -161.0 20.2 168.1 0 0.0 263 -2.6 0 0.0 0 0.0 11 73
303 B 322 GLN Q E E Bh - 263 0 -115.4 131.1 177.1 -165.0 19.1 156.4 301 -0.6 337 -1.8 0 0.0 338 -1.2 13 77
304 B 323 ASN N E E Bhi - 264 338 -105.7 101.6 -176.3 -156.1 24.7 146.9 263 -2.8 265 -1.3 0 0.0 0 0.0 13 80
305 B 324 ALA A E E Bhi - 265 339 -86.4 138.4 173.5 -172.8 12.4 114.4 338 -2.0 340 -2.2 0 0.0 0 0.0 14 77
306 B 325 ILE I E E Bhi - 266 340 -123.8 137.9 179.6 -111.6 29.9 171.7 265 -2.1 267 -2.2 0 0.0 0 0.0 13 78
307 B 326 THR T E E Bh - 267 0 -66.9 165.6 -171.5 -75.0 51.1 102.7 340 -2.3 0 0.0 0 0.0 0 0.0 14 73
308 B 327 SER S e - 0 0 -71.1 120.4 177.1 -178.9 36.4 110.5 267 -1.5 0 0.0 0 0.0 0 0.0 14 65
309 B 328 TRP W S t > TS+ 0 0 -79.5 -35.1 -179.7 60.1 88.8 28.8 0 0.0 312 -1.5 0 0.0 0 0.0 10 60
310 B 329 ARG R T T 3 TS+ 0 0 -61.4 -32.8 178.4 51.8 103.3 28.1 0 0.0 474 -2.1 0 0.0 0 0.0 11 59
311 B 330 GLU E T T 3 TS+ 0 0 -83.7 -2.7 -176.0 111.4 85.0 61.0 0 0.0 0 0.0 0 0.0 0 0.0 11 67
312 B 331 LEU L t < T - 0 0 -79.4 143.4 -179.5 -152.4 55.0 117.2 309 -1.5 0 0.0 0 0.0 0 0.0 15 60
313 B 332 THR T - 0 0 -116.6 148.1 172.5 -151.8 18.4 148.9 0 0.0 0 0.0 0 0.0 0 0.0 12 56
314 B 333 ARG R S S S+ 0 0 -76.9 -44.6 -179.9 71.6 82.0 28.6 0 0.0 0 0.0 0 0.0 0 0.0 9 57
315 B 334 GLU E S S S+ 0 0 -77.8 135.9 -179.7 3.8 112.1 112.4 0 0.0 0 0.0 0 0.0 0 0.0 9 53
316 B 335 ASP D S t > TS- 0 0 53.2 68.8 -174.6 -174.3 77.2 26.1 0 0.0 319 -1.7 0 0.0 0 0.0 12 44
317 B 336 PRO P T T > T + 0 0 -71.6 -27.9 166.9 75.3 70.0 40.7 0 0.0 320 -1.8 0 0.0 0 0.0 14 50
318 B 337 TYR Y T h > > TS+ 0 0 -55.0 -21.6 166.4 68.0 85.0 37.8 0 0.0 321 -0.9 0 0.0 322 -0.5 8 44
319 B 338 VAL V H H > X TS+ 0 0 -66.5 -23.1 167.8 70.8 84.8 29.7 316 -1.7 323 -1.7 0 0.0 322 -1.2 10 48
320 B 339 ASN N H H > < TS+ 0 0 -61.8 -25.7 161.9 64.8 87.8 34.6 317 -1.8 324 -3.2 0 0.0 0 0.0 12 56
321 B 340 ILE I H H > < TS+ 0 0 -50.8 -46.3 178.0 45.4 104.0 22.8 318 -0.9 325 -1.8 0 0.0 0 0.0 12 53
322 B 341 LEU L H H X < TS+ 0 0 -69.9 -42.2 175.1 51.6 110.9 28.3 319 -1.2 326 -2.5 318 -0.5 0 0.0 8 44
323 B 342 ARG R H H X TS+ 0 0 -63.2 -42.7 170.3 46.4 112.8 14.0 319 -1.7 327 -2.2 0 0.0 0 0.0 12 58
324 B 343 GLY G H H X TS+ 0 0 -59.7 -42.7 -177.5 56.1 109.9 28.3 320 -3.2 328 -2.7 0 0.0 0 0.0 17 57
325 B 344 SER S H H X TS+ 0 0 -57.3 -52.8 -177.1 37.9 112.9 13.4 321 -1.8 329 -2.0 0 0.0 0 0.0 9 55
326 B 345 ILE I H H X TS+ 0 0 -73.1 -32.3 177.5 50.1 117.3 25.7 322 -2.5 330 -1.9 0 0.0 0 0.0 11 52
327 B 346 ALA A H H X TS+ 0 0 -71.5 -38.7 173.3 49.7 111.2 22.1 323 -2.2 331 -2.6 0 0.0 0 0.0 17 62
328 B 347 THR T H H X TS+ 0 0 -62.7 -42.4 172.8 47.9 112.3 21.9 324 -2.7 332 -2.1 0 0.0 0 0.0 15 69
329 B 348 PHE F H H X TS+ 0 0 -57.5 -54.3 -173.7 49.9 111.8 29.8 325 -2.0 333 -2.5 0 0.0 0 0.0 11 66
330 B 349 SER S H H X TS+ 0 0 -63.3 -36.9 169.9 51.6 108.7 22.0 326 -1.9 334 -2.5 0 0.0 0 0.0 13 62
331 B 350 ALA A H H X >TS+ 0 0 -61.3 -38.7 176.2 50.0 110.8 22.4 327 -2.6 336 -2.3 0 0.0 335 -0.7 15 72
332 B 351 SER S H H < >5TS+ 0 0 -65.9 -50.0 177.9 43.8 113.2 13.2 328 -2.1 335 -1.7 0 0.0 0 0.0 12 75
333 B 352 VAL V H H < 35TS+ 0 0 -63.7 -33.1 169.0 56.6 111.1 29.9 329 -2.5 0 0.0 0 0.0 0 0.0 13 69
334 B 353 GLY G H H < 35TS- 0 0 -68.9 -11.7 171.0 -114.7 118.4 55.5 330 -2.5 0 0.0 0 0.0 0 0.0 14 80
335 B 354 GLY G T h < <5T + 0 0 82.3 41.3 176.3 175.7 46.4 44.8 332 -1.7 0 0.0 331 -0.7 0 0.0 14 72
336 B 355 ALA A t T - 0 0 -61.8 150.1 -175.8 -119.6 26.6 113.3 0 0.0 346 -1.8 0 0.0 0 0.0 13 66
344 B 363 PHE F T T 3 TS+ 0 0 -73.0 -23.2 166.3 60.1 113.2 41.3 0 0.0 0 0.0 0 0.0 0 0.0 15 59
345 B 364 THR T T T > > TS+ 0 0 -73.7 6.4 -172.1 109.5 73.2 69.0 0 0.0 349 -2.1 0 0.0 348 -1.9 13 52
346 B 365 GLN Q T T 4 < TS+ 0 0 -73.6 -12.4 172.5 51.3 73.7 47.0 343 -1.8 0 0.0 0 0.0 0 0.0 11 60
347 B 366 ALA A T T 4 3 TS+ 0 0 -92.3 -11.4 -174.7 40.2 118.5 57.4 0 0.0 0 0.0 0 0.0 0 0.0 9 52
348 B 367 LEU L T T 4 < TS- 0 0 -104.0 -44.8 -173.2 -75.8 118.2 48.2 345 -1.9 0 0.0 0 0.0 0 0.0 8 44
349 B 368 GLY G t < T - 0 0 163.0 -169.9 -177.8 -33.9 65.2 169.4 345 -2.1 0 0.0 0 0.0 0 0.0 10 41
350 B 369 LEU L E E CJ S- 458 0 -88.4 142.9 -178.6 -91.5 71.0 129.3 458 -3.2 458 -3.0 0 0.0 0 0.0 12 47
351 B 370 PRO P E E CJ - 457 0 -50.0 137.4 179.4 -146.8 27.7 101.9 0 0.0 0 0.0 0 0.0 0 0.0 13 50
352 B 371 GLU E S e S- 0 0 -83.8 -17.2 178.3 -12.6 78.2 47.3 456 -0.5 0 0.0 0 0.0 0 0.0 8 35
353 B 372 ASP D S S S- 0 0 -157.5 -157.6 -175.1 -64.7 98.1 142.9 0 0.0 0 0.0 0 0.0 0 0.0 6 38
354 B 373 ASP D S h > TS+ 0 0 -81.3 -20.6 -173.4 93.9 101.6 41.5 0 0.0 358 -3.4 0 0.0 0 0.0 8 43
355 B 374 PHE F H H > TS+ 0 0 -41.4 -63.8 177.2 36.5 90.7 34.5 0 0.0 359 -2.1 0 0.0 0 0.0 8 40
356 B 375 PRO P H H > TS+ 0 0 -61.9 -35.5 175.5 52.1 118.5 33.0 0 0.0 360 -1.8 0 0.0 0 0.0 11 52
357 B 376 LEU L H H > TS+ 0 0 -67.5 -41.5 172.9 52.0 108.2 19.3 0 0.0 361 -2.5 0 0.0 0 0.0 12 62
358 B 377 ARG R H H X TS+ 0 0 -61.9 -36.1 176.1 48.3 109.9 21.6 354 -3.4 362 -2.9 0 0.0 0 0.0 9 46
359 B 378 ILE I H H X TS+ 0 0 -72.9 -35.9 178.7 52.7 109.9 20.9 355 -2.1 363 -1.9 0 0.0 0 0.0 11 50
360 B 379 ALA A H H X TS+ 0 0 -65.6 -47.6 177.0 39.4 115.5 11.9 356 -1.8 364 -1.0 0 0.0 0 0.0 16 66
361 B 380 ARG R H H X TS+ 0 0 -71.1 -33.5 173.6 55.1 113.8 25.6 357 -2.5 365 -2.1 0 0.0 0 0.0 15 62
362 B 381 ASN N H H X TS+ 0 0 -70.8 -19.5 166.0 68.5 95.1 39.0 358 -2.9 366 -3.3 0 0.0 0 0.0 8 51
363 B 382 THR T H H X TS+ 0 0 -55.0 -57.9 176.3 33.5 110.2 10.7 359 -1.9 367 -2.3 0 0.0 0 0.0 12 58
364 B 383 GLY G H H X TS+ 0 0 -69.6 -40.3 -178.2 54.2 118.4 19.9 360 -1.0 368 -2.6 0 0.0 0 0.0 13 64
365 B 384 ILE I H H X TS+ 0 0 -62.7 -42.5 175.6 43.6 111.4 19.5 361 -2.1 369 -2.6 0 0.0 0 0.0 12 49
366 B 385 VAL V H H X >TS+ 0 0 -66.1 -43.9 175.7 53.9 112.7 16.3 362 -3.3 370 -2.6 0 0.0 371 -2.1 9 40
367 B 386 LEU L H H < 5TS+ 0 0 -55.6 -44.8 178.0 37.0 117.0 25.6 363 -2.3 373 -1.7 0 0.0 0 0.0 12 47
368 B 387 ALA A H H < 5TS+ 0 0 -68.2 -50.6 -163.4 32.1 127.5 18.1 364 -2.6 0 0.0 0 0.0 0 0.0 14 50
369 B 388 GLU E H H < 5TS+ 0 0 -91.2 -24.1 178.9 22.0 132.4 38.5 365 -2.6 0 0.0 0 0.0 0 0.0 9 29
370 B 389 GLU E T h < 5TS+ 0 0 -111.6 -37.7 174.5 38.8 131.0 48.8 366 -2.6 0 0.0 0 0.0 0 0.0 7 24
371 B 390 VAL V S t T + 0 0 55.2 38.4 -174.6 144.7 42.6 37.8 0 0.0 375 -1.2 0 0.0 0 0.0 9 30
373 B 392 ILE I T T 3 T + 0 0 -82.7 -15.9 -179.3 61.0 61.8 49.4 367 -1.7 0 0.0 0 0.0 0 0.0 10 43
374 B 393 GLY G T T 3 TS+ 0 0 -89.4 5.9 178.1 86.5 79.9 67.8 0 0.0 0 0.0 0 0.0 0 0.0 16 47
375 B 394 ARG R S t < TS+ 0 0 -74.4 -30.4 -179.7 55.8 86.0 60.3 372 -1.2 0 0.0 0 0.0 0 0.0 12 37
376 B 395 VAL V S S S- 0 0 -108.3 136.4 169.9 -124.8 84.7 173.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
377 B 396 ASN N S S S- 0 0 -74.0 129.1 173.7 -11.5 88.7 127.0 0 0.0 0 0.0 0 0.0 0 0.0 11 45
378 B 397 ASP D t > T - 0 0 44.7 63.0 170.1 -176.6 67.0 26.6 0 0.0 381 -1.8 0 0.0 0 0.0 11 54
379 B 398 PRO P T T 3 TS+ 0 0 -58.0 -20.2 165.0 58.6 81.9 36.6 0 0.0 0 0.0 0 0.0 0 0.0 6 44
380 B 399 ALA A T T > TS+ 0 0 -78.1 -15.1 179.8 125.4 78.6 49.2 0 0.0 383 -2.9 0 0.0 0 0.0 7 49
381 B 400 GLY G T T < TS+ 0 0 -56.3 121.8 -174.9 16.9 76.4 100.3 378 -1.8 0 0.0 0 0.0 0 0.0 9 50
382 B 401 GLY G T T 3 TS+ 0 0 105.4 -35.2 -177.3 140.7 85.2 68.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
383 B 402 SER S h > < T - 0 0 -40.1 123.5 -177.1 -140.9 51.1 127.4 380 -2.9 387 -2.9 0 0.0 0 0.0 8 38
384 B 403 TYR Y H H > TS+ 0 0 -54.5 -57.8 171.7 43.1 99.7 25.8 0 0.0 388 -2.5 0 0.0 0 0.0 12 34
385 B 404 TYR Y H H > TS+ 0 0 -50.4 -54.4 -176.7 48.0 114.6 20.0 0 0.0 389 -2.7 0 0.0 0 0.0 11 40
386 B 405 VAL V H H > TS+ 0 0 -64.2 -38.8 177.7 47.2 113.8 24.8 0 0.0 390 -2.3 0 0.0 0 0.0 13 50
387 B 406 GLU E H H X TS+ 0 0 -64.9 -50.1 177.0 47.2 114.3 19.3 383 -2.9 391 -2.2 0 0.0 0 0.0 14 52
388 B 407 SER S H H X TS+ 0 0 -57.2 -48.5 179.4 45.5 115.4 18.4 384 -2.5 392 -2.5 0 0.0 0 0.0 11 44
389 B 408 LEU L H H X TS+ 0 0 -65.5 -38.6 175.9 54.8 109.2 32.4 385 -2.7 393 -2.6 0 0.0 0 0.0 11 58
390 B 409 THR T H H X TS+ 0 0 -60.4 -51.6 174.5 44.2 112.5 13.3 386 -2.3 394 -2.8 0 0.0 0 0.0 12 60
391 B 410 ARG R H H X TS+ 0 0 -59.4 -39.5 177.0 53.1 112.2 22.0 387 -2.2 395 -2.8 0 0.0 0 0.0 9 54
392 B 411 SER S H H X TS+ 0 0 -62.6 -41.9 173.4 42.9 113.5 18.6 388 -2.5 396 -1.9 0 0.0 0 0.0 9 50
393 B 412 LEU L H H X TS+ 0 0 -65.5 -49.9 177.0 52.8 112.5 20.3 389 -2.6 397 -2.5 0 0.0 0 0.0 14 54
394 B 413 ALA A H H X TS+ 0 0 -55.5 -52.2 172.9 44.5 113.0 19.6 390 -2.8 398 -2.4 0 0.0 0 0.0 13 52
395 B 414 ASP D H H X TS+ 0 0 -60.7 -35.6 -177.4 47.1 115.0 33.8 391 -2.8 399 -2.2 0 0.0 0 0.0 8 43
396 B 415 ALA A H H X TS+ 0 0 -76.8 -40.4 178.9 42.6 116.9 28.8 392 -1.9 400 -1.8 0 0.0 0 0.0 10 46
397 B 416 ALA A H H X TS+ 0 0 -73.5 -35.6 171.4 55.6 111.2 25.7 393 -2.5 401 -2.4 0 0.0 0 0.0 13 55
398 B 417 TRP W H H X TS+ 0 0 -60.6 -51.9 171.8 49.4 108.4 15.5 394 -2.4 402 -2.9 0 0.0 0 0.0 10 46
399 B 418 LYS K H H X TS+ 0 0 -56.7 -38.5 172.7 46.2 112.8 28.2 395 -2.2 403 -2.6 0 0.0 0 0.0 9 38
400 B 419 GLU E H H X TS+ 0 0 -66.7 -39.9 178.2 51.5 112.2 21.9 396 -1.8 404 -2.5 0 0.0 0 0.0 12 50
401 B 420 PHE F H H X TS+ 0 0 -62.0 -48.8 169.4 49.8 109.2 20.4 397 -2.4 405 -1.9 0 0.0 0 0.0 12 47
402 B 421 GLN Q H H X > TS+ 0 0 -56.0 -51.4 171.7 52.6 109.2 11.8 398 -2.9 406 -2.7 0 0.0 405 -1.0 8 39
403 B 422 GLU E H H X 3 TS+ 0 0 -50.4 -42.0 171.6 47.1 111.0 24.9 399 -2.6 407 -1.5 0 0.0 0 0.0 8 36
404 B 423 VAL V H H < 3>TS+ 0 0 -63.4 -35.3 -176.6 47.0 114.4 29.3 400 -2.5 409 -2.5 0 0.0 0 0.0 12 41
405 B 424 GLU E H H < X5TS+ 0 0 -75.2 -44.1 174.9 56.7 106.7 22.4 401 -1.9 408 -2.2 402 -1.0 0 0.0 10 35
406 B 425 LYS K H H < 35TS+ 0 0 -63.9 -24.4 159.6 51.9 105.6 36.7 402 -2.7 0 0.0 0 0.0 0 0.0 7 27
407 B 426 LEU L T h < 35TS- 0 0 -82.8 1.6 179.8 -91.1 134.8 77.5 403 -1.5 0 0.0 0 0.0 0 0.0 8 27
408 B 427 GLY G T T <5TS- 0 0 95.1 21.0 178.9 -56.8 76.3 46.5 405 -2.2 0 0.0 0 0.0 0 0.0 8 31
409 B 428 GLY G h > TS+ 0 0 -71.6 -32.7 173.4 60.4 123.1 31.9 0 0.0 414 -2.6 0 0.0 0 0.0 13 60
411 B 430 SER S H H > TS+ 0 0 -62.7 -45.7 168.9 39.4 113.1 16.0 0 0.0 415 -1.9 0 0.0 0 0.0 11 52
412 B 431 LYS K H H > TS+ 0 0 -66.6 -39.8 178.1 60.2 111.1 20.4 0 0.0 416 -3.2 0 0.0 0 0.0 9 40
413 B 432 ALA A H H < TS+ 0 0 -55.1 -46.2 170.4 37.6 112.5 22.9 409 -2.6 419 -1.2 0 0.0 0 0.0 13 49
414 B 433 VAL V H H < TS+ 0 0 -67.7 -40.5 179.7 52.5 116.3 30.8 410 -2.6 0 0.0 0 0.0 0 0.0 13 55
415 B 434 MET M H H < TS+ 0 0 -67.3 -43.4 167.7 49.6 113.4 19.6 411 -1.9 0 0.0 0 0.0 0 0.0 10 39
416 B 435 THR T S h < TS- 0 0 -66.7 -171.7 176.9 -93.9 108.5 77.3 412 -3.2 0 0.0 0 0.0 0 0.0 7 31
417 B 436 GLU E S h > TS+ 0 0 -92.6 -0.3 -175.9 101.2 95.6 62.2 0 0.0 421 -2.3 0 0.0 0 0.0 8 29
418 B 437 HIS H H H > TS+ 0 0 -52.5 -54.3 -177.0 42.0 84.8 27.0 0 0.0 422 -1.9 0 0.0 0 0.0 8 42
419 B 438 VAL V H H > TS+ 0 0 -65.3 -44.1 170.5 49.6 115.4 26.8 413 -1.2 423 -2.6 0 0.0 0 0.0 9 63
420 B 439 THR T H H > TS+ 0 0 -61.7 -40.3 177.6 50.5 111.7 29.2 0 0.0 424 -1.9 0 0.0 0 0.0 9 43
421 B 440 LYS K H H X TS+ 0 0 -64.6 -45.4 179.2 45.9 111.2 27.4 417 -2.3 425 -1.5 0 0.0 0 0.0 8 35
422 B 441 VAL V H H X > TS+ 0 0 -67.7 -47.5 170.6 51.2 113.5 6.8 418 -1.9 426 -2.0 0 0.0 425 -0.8 10 46
423 B 442 LEU L H H X 3 TS+ 0 0 -55.3 -35.8 175.4 51.4 108.7 37.6 419 -2.6 427 -2.6 0 0.0 0 0.0 11 50
424 B 443 ASP D H H X 3 TS+ 0 0 -71.5 -33.1 177.7 51.3 108.0 34.3 420 -1.9 428 -2.0 0 0.0 0 0.0 9 32
425 B 444 ALA A H H X < TS+ 0 0 -68.2 -48.1 178.0 41.3 116.1 12.4 421 -1.5 429 -2.1 422 -0.8 0 0.0 8 31
426 B 445 CYS C H H X TS+ 0 0 -61.5 -50.6 179.6 49.2 116.1 22.7 422 -2.0 430 -3.3 0 0.0 0 0.0 13 42
427 B 446 ASN N H H X TS+ 0 0 -62.6 -36.9 174.7 47.7 112.2 34.2 423 -2.6 431 -2.1 0 0.0 0 0.0 10 43
428 B 447 ALA A H H X TS+ 0 0 -71.8 -43.9 174.9 44.9 115.1 32.2 424 -2.0 432 -1.5 0 0.0 0 0.0 8 33
429 B 448 GLU E H H X TS+ 0 0 -66.8 -42.3 174.7 47.3 115.7 17.6 425 -2.1 433 -1.9 0 0.0 0 0.0 9 32
430 B 449 ARG R H H X TS+ 0 0 -61.6 -45.1 178.2 53.8 110.0 16.4 426 -3.3 434 -2.8 0 0.0 0 0.0 10 46
431 B 450 ALA A H H X TS+ 0 0 -58.1 -35.5 172.5 48.6 109.1 35.2 427 -2.1 435 -2.0 0 0.0 0 0.0 9 44
432 B 451 LYS K H H X TS+ 0 0 -68.7 -46.7 177.5 46.3 113.4 28.3 428 -1.5 436 -1.9 0 0.0 0 0.0 8 35
433 B 452 ARG R H H < >TS+ 0 0 -70.0 -37.6 172.6 48.8 113.8 30.4 429 -1.9 439 -2.0 0 0.0 438 -1.0 11 40
434 B 453 LEU L H H < >5TS+ 0 0 -63.6 -43.3 177.3 47.6 113.2 21.0 430 -2.8 437 -0.6 0 0.0 0 0.0 12 48
435 B 454 ALA A H H < 35TS+ 0 0 -71.4 -34.1 173.3 38.8 118.1 37.8 431 -2.0 604 -2.2 0 0.0 605 -0.6 11 45
436 B 455 ASN N T h < 35TS- 0 0 -90.2 0.4 179.5 -121.0 112.3 72.4 432 -1.9 0 0.0 0 0.0 0 0.0 12 39
437 B 456 ARG R T T <5TS+ 0 0 58.7 35.1 170.8 126.9 78.0 54.6 434 -0.6 0 0.0 0 0.0 0 0.0 14 43
438 B 457 LYS K S t > T - 0 0 -121.5 114.8 175.5 -115.2 28.4 157.9 0 0.0 445 -2.2 0 0.0 444 -2.1 10 50
442 B 461 THR T T T 4 3 TS- 0 0 -54.0 126.4 178.0 -1.1 94.6 88.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
443 B 462 ALA A T T 4 3 TS+ 0 0 70.9 15.2 -171.8 64.0 130.1 50.3 446 -1.2 0 0.0 0 0.0 0 0.0 11 45
444 B 463 VAL V T T 4 < TS+ 0 0 -130.7 -59.6 177.2 6.0 122.0 44.2 441 -2.1 0 0.0 0 0.0 0 0.0 13 56
445 B 464 SER S S t < TS+ 0 0 -110.0 -11.2 177.8 51.8 132.1 65.7 441 -2.2 0 0.0 0 0.0 0 0.0 12 60
446 B 465 GLU E S S S- 0 0 -128.4 127.1 -172.1 -18.3 127.7 173.6 0 0.0 443 -1.2 0 0.0 0 0.0 12 46
447 B 466 PHE F S S S- 0 0 37.6 58.3 177.4 -178.7 81.6 31.6 0 0.0 0 0.0 0 0.0 0 0.0 10 35
448 B 467 PRO P - 0 0 -72.0 169.4 175.4 -141.9 19.5 104.2 0 0.0 0 0.0 0 0.0 0 0.0 11 42
449 B 468 MET M t > T - 0 0 -136.1 113.7 173.4 -130.3 14.7 154.3 0 0.0 452 -1.2 0 0.0 0 0.0 8 39
450 B 469 ILE I T T 3 TS+ 0 0 -56.9 129.0 178.4 20.1 97.2 108.6 0 0.0 0 0.0 0 0.0 0 0.0 6 41
451 B 470 GLY G T T 3 TS- 0 0 83.2 23.8 -172.7 -175.3 86.9 43.8 0 0.0 0 0.0 0 0.0 0 0.0 4 31
452 B 471 ALA A t < T - 0 0 -60.6 132.6 -178.1 -90.9 39.5 105.9 449 -1.2 0 0.0 0 0.0 0 0.0 7 34
453 B 472 ARG R + 0 0 -48.8 129.8 177.9 178.4 55.6 102.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
454 B 473 SER S - 0 0 -116.6 -164.8 179.2 -119.5 19.6 112.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
455 B 474 ILE I - 0 0 -147.6 146.1 -179.3 -106.4 21.4 179.2 0 0.0 0 0.0 0 0.0 0 0.0 6 33
456 B 475 GLU E e + 0 0 -70.2 119.9 -179.9 170.2 46.0 125.2 0 0.0 352 -0.5 0 0.0 0 0.0 5 28
457 B 476 THR T E E CJ - 351 0 -122.6 174.6 178.1 -106.1 36.6 143.3 0 0.0 0 0.0 0 0.0 0 0.0 10 33
458 B 477 LYS K E E CJ - 350 0 -104.1 137.2 -175.4 -101.5 46.4 149.2 350 -3.0 350 -3.2 0 0.0 0 0.0 8 33
459 B 478 PRO P - 0 0 -55.7 146.1 174.3 -109.9 36.2 98.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
460 B 479 PHE F - 0 0 -76.1 140.3 178.3 -102.2 42.0 127.4 0 0.0 0 0.0 0 0.0 0 0.0 7 30
461 B 480 PRO P - 0 0 -61.7 145.9 -174.9 -87.0 47.9 105.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
462 B 481 ALA A - 0 0 -63.2 138.3 -176.1 -142.9 44.6 106.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
463 B 482 ALA A - 0 0 -114.4 132.3 177.6 -116.9 13.7 155.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
464 B 483 PRO P - 0 0 -53.4 141.9 176.1 -96.7 45.6 109.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
465 B 484 ALA A - 0 0 -59.2 157.7 -179.7 -152.2 38.4 94.6 0 0.0 0 0.0 0 0.0 0 0.0 4 22
466 B 485 ARG R - 0 0 -127.4 153.6 -179.7 -151.6 10.2 163.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28
467 B 486 LYS K S S S+ 0 0 -104.0 -10.0 -172.8 64.9 73.2 55.6 189 -0.5 0 0.0 0 0.0 0 0.0 7 25
468 B 487 GLY G S S S+ 0 0 -93.9 -150.1 -172.1 5.3 94.5 78.9 188 -1.7 0 0.0 0 0.0 0 0.0 10 40
469 B 488 LEU L - 0 0 -40.5 124.6 176.7 -131.9 65.9 89.1 187 -2.5 0 0.0 0 0.0 0 0.0 11 48
470 B 489 ALA A - 0 0 -82.7 135.2 -178.6 -153.1 16.4 124.1 0 0.0 0 0.0 0 0.0 0 0.0 6 41
471 B 490 TRP W + 0 0 -110.5 112.2 -177.4 160.9 23.0 166.5 0 0.0 0 0.0 0 0.0 0 0.0 8 46
472 B 491 HIS H - 0 0 -137.7 128.3 -179.8 -127.9 33.9 173.9 224 -1.0 0 0.0 0 0.0 0 0.0 9 41
473 B 492 ARG R t > T - 0 0 -71.8 152.0 178.5 -113.2 29.1 120.7 0 0.0 476 -1.5 0 0.0 0 0.0 11 55
474 B 493 ASP D T T 3 TS+ 0 0 -56.2 -36.2 -176.5 52.5 112.2 40.8 310 -2.1 0 0.0 0 0.0 0 0.0 11 56
475 B 494 SER S T h > 3 TS+ 0 0 -89.5 1.2 168.7 98.7 76.7 63.4 0 0.0 479 -2.4 0 0.0 0 0.0 12 56
476 B 495 GLU E H H > < TS+ 0 0 -52.9 -43.7 171.4 58.7 78.3 30.3 473 -1.5 480 -2.4 0 0.0 0 0.0 8 49
477 B 496 VAL V H H > TS+ 0 0 -52.7 -39.3 175.1 40.4 112.0 23.6 0 0.0 481 -1.6 0 0.0 0 0.0 8 51
478 B 497 PHE F H H > TS+ 0 0 -75.4 -37.5 176.7 55.7 112.2 28.4 0 0.0 482 -2.9 0 0.0 0 0.0 12 60
479 B 498 GLU E H H X TS+ 0 0 -65.2 -36.3 171.1 52.1 105.7 26.9 475 -2.4 483 -1.8 0 0.0 0 0.0 11 53
480 B 499 GLN Q H H X TS+ 0 0 -63.8 -43.9 173.2 49.1 109.3 21.2 476 -2.4 484 -2.0 0 0.0 0 0.0 8 42
481 B 500 LEU L H H X TS+ 0 0 -63.2 -39.7 168.0 51.3 110.5 11.9 477 -1.6 485 -1.7 0 0.0 0 0.0 14 52
482 B 501 MET M H H X TS+ 0 0 -57.7 -41.3 177.3 55.0 106.5 28.7 478 -2.9 486 -1.9 0 0.0 0 0.0 11 52
483 B 502 ASP D H H X TS+ 0 0 -66.8 -38.9 169.4 56.5 102.4 19.8 479 -1.8 487 -1.8 0 0.0 0 0.0 8 38
484 B 503 ARG R H H X TS+ 0 0 -51.7 -53.1 175.0 41.1 112.3 15.4 480 -2.0 488 -0.9 0 0.0 0 0.0 13 40
485 B 504 SER S H H < TS+ 0 0 -66.2 -26.0 175.6 53.2 113.3 36.0 481 -1.7 0 0.0 0 0.0 0 0.0 14 43
486 B 505 THR T H H < TS+ 0 0 -77.1 -26.7 -179.8 66.2 98.8 35.5 482 -1.9 0 0.0 0 0.0 0 0.0 9 34
487 B 506 SER S H H < TS+ 0 0 -63.0 -47.4 -178.7 75.3 88.9 24.6 483 -1.8 0 0.0 0 0.0 0 0.0 6 25
488 B 507 VAL V S h < TS- 0 0 -69.3 152.4 179.8 -128.1 82.8 107.5 484 -0.9 0 0.0 0 0.0 0 0.0 9 24
489 B 508 SER S S S S+ 0 0 -65.9 -43.4 174.2 45.4 99.7 29.0 0 0.0 491 -0.5 0 0.0 0 0.0 5 18
490 B 509 GLU E S S S- 0 0 -105.4 118.8 179.9 -117.5 97.5 160.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
491 B 510 ARG R - 0 0 -59.2 131.0 176.8 -101.2 36.6 104.3 489 -0.5 0 0.0 0 0.0 0 0.0 10 39
492 B 511 PRO P - 0 0 -53.3 143.0 -172.7 -152.8 40.6 99.6 0 0.0 522 -2.4 0 0.0 0 0.0 11 50
493 B 512 LYS K B B b - 522 0 -126.4 141.5 171.0 -170.6 19.2 162.2 0 0.0 0 0.0 0 0.0 0 0.0 11 57
494 B 513 VAL V - 0 0 -129.0 121.3 -178.3 -138.4 25.4 167.0 522 -2.2 496 -0.5 0 0.0 0 0.0 14 65
495 B 514 PHE F E E Dk - 546 0 -83.5 124.4 177.6 -142.6 9.0 124.0 545 -2.9 547 -2.8 0 0.0 497 -0.8 14 62
496 B 515 LEU L E E Dkl - 547 525 -90.4 114.4 179.1 -161.1 7.9 136.3 524 -2.7 526 -2.1 494 -0.5 498 -1.2 14 68
497 B 516 ALA A E E Dkl - 548 526 -90.3 88.5 -177.4 -168.4 12.9 139.7 547 -2.2 549 -2.3 495 -0.8 0 0.0 14 73
498 B 517 CYS C E E Dkl - 549 527 -85.6 127.4 -173.4 -151.3 8.8 136.5 526 -1.5 528 -2.0 496 -1.2 0 0.0 13 62
499 B 518 LEU L e - 0 0 -106.4 140.7 174.1 -6.8 48.7 148.4 549 -1.7 0 0.0 0 0.0 0 0.0 14 57
500 B 519 GLY G S S S- 0 0 86.7 -151.1 -176.4 -28.4 103.3 126.7 0 0.0 0 0.0 0 0.0 0 0.0 11 40
501 B 520 THR T h > > T - 0 0 -97.0 170.1 178.4 -94.7 67.4 118.2 0 0.0 505 -2.2 0 0.0 504 -1.6 8 34
502 B 521 ARG R H H > 3 TS+ 0 0 -64.4 -25.7 169.4 59.4 122.4 24.1 0 0.0 506 -2.1 0 0.0 0 0.0 7 27
503 B 522 ARG R H H 4 3 TS+ 0 0 -63.4 -33.9 177.8 41.4 111.8 51.2 0 0.0 0 0.0 0 0.0 0 0.0 6 22
504 B 523 ASP D H H 4 < TS+ 0 0 -78.6 -52.2 -171.4 28.1 126.1 31.2 501 -1.6 0 0.0 0 0.0 0 0.0 11 33
505 B 524 PHE F H H X TS+ 0 0 -93.7 -16.2 -176.3 90.1 92.4 56.3 501 -2.2 509 -3.2 0 0.0 0 0.0 14 41
506 B 525 GLY G H H X TS+ 0 0 -43.1 -57.7 170.1 51.4 88.8 28.7 502 -2.1 510 -2.8 0 0.0 0 0.0 9 33
507 B 526 GLY G H H > TS+ 0 0 -40.6 -65.4 179.0 38.7 115.8 17.3 0 0.0 511 -1.5 0 0.0 0 0.0 10 37
508 B 527 ARG R H H > TS+ 0 0 -68.1 -33.4 178.8 49.3 117.4 22.4 0 0.0 512 -2.5 0 0.0 0 0.0 12 48
509 B 528 GLU E H H X TS+ 0 0 -71.6 -37.4 -179.9 54.7 108.7 21.9 505 -3.2 513 -1.9 0 0.0 0 0.0 12 48
510 B 529 GLY G H H < TS+ 0 0 -60.9 -38.2 173.3 42.2 113.8 37.3 506 -2.8 0 0.0 0 0.0 0 0.0 8 42
511 B 530 PHE F H H X TS+ 0 0 -70.2 -49.8 -171.2 42.2 118.4 34.9 507 -1.5 515 -1.0 0 0.0 0 0.0 8 47
512 B 531 SER S H H X TS+ 0 0 -79.4 -36.2 179.0 64.5 100.0 23.5 508 -2.5 516 -2.0 0 0.0 0 0.0 11 62
513 B 532 SER S H H X TS+ 0 0 -50.3 -59.4 176.4 46.4 105.3 18.9 509 -1.9 517 -2.2 0 0.0 0 0.0 10 54
514 B 533 PRO P H H > TS+ 0 0 -55.6 -38.3 174.3 59.0 107.3 25.5 0 0.0 518 -1.4 0 0.0 0 0.0 11 53
515 B 534 VAL V H H X > TS+ 0 0 -52.9 -53.0 176.6 44.4 108.4 11.5 511 -1.0 518 -1.2 0 0.0 519 -0.7 11 69
516 B 535 TRP W H H < >>TS+ 0 0 -61.9 -39.8 174.3 57.8 109.4 23.1 512 -2.0 521 -1.8 0 0.0 519 -0.8 13 72
517 B 536 HIS H H H < >5TS+ 0 0 -64.2 -20.8 174.7 75.2 88.2 39.7 513 -2.2 520 -1.5 0 0.0 0 0.0 14 54
518 B 537 ILE I H H < <5TS+ 0 0 -51.2 -46.9 177.7 37.2 105.1 24.8 514 -1.4 0 0.0 515 -1.2 0 0.0 15 63
519 B 538 ALA A T h < <5TS- 0 0 -90.1 8.0 -176.6 -103.2 123.0 71.7 516 -0.8 0 0.0 515 -0.7 0 0.0 13 63
520 B 539 GLY G T T <5T + 0 0 69.4 32.9 178.7 153.3 69.3 42.9 517 -1.5 522 -0.5 0 0.0 0 0.0 13 57
521 B 540 ILE I t T - 0 0 -78.5 174.4 177.5 -96.4 62.8 113.2 0 0.0 534 -2.4 0 0.0 0 0.0 6 31
531 B 550 THR T H H > TS+ 0 0 -56.8 -50.4 172.1 51.8 127.9 18.7 0 0.0 535 -2.5 0 0.0 0 0.0 9 39
532 B 551 ALA A H H > TS+ 0 0 -52.8 -47.2 -179.1 49.7 109.6 23.8 0 0.0 536 -2.6 0 0.0 0 0.0 7 30
533 B 552 GLU E H H > TS+ 0 0 -63.6 -40.3 173.0 48.2 111.1 18.2 0 0.0 537 -2.8 0 0.0 0 0.0 9 31
534 B 553 ILE I H H X TS+ 0 0 -56.7 -52.7 174.9 48.8 113.3 15.2 530 -2.4 538 -3.6 0 0.0 0 0.0 13 49
535 B 554 VAL V H H X TS+ 0 0 -56.2 -48.0 176.6 47.6 111.9 20.4 531 -2.5 539 -2.9 0 0.0 0 0.0 11 46
536 B 555 GLU E H H X TS+ 0 0 -64.9 -38.6 172.2 47.1 114.2 23.3 532 -2.6 540 -2.3 0 0.0 0 0.0 8 36
537 B 556 ALA A H H X TS+ 0 0 -64.4 -45.6 177.2 52.4 111.7 18.4 533 -2.8 541 -2.3 0 0.0 0 0.0 10 40
538 B 557 PHE F H H X >TS+ 0 0 -52.4 -59.0 177.2 42.2 113.6 10.2 534 -3.6 542 -1.0 0 0.0 543 -0.7 15 48
539 B 558 LYS K H H < >5TS+ 0 0 -56.2 -39.5 175.4 52.7 113.0 25.4 535 -2.9 542 -0.6 0 0.0 0 0.0 9 37
540 B 559 LYS K H H < 35TS+ 0 0 -67.2 -28.2 172.9 62.3 101.1 26.7 536 -2.3 0 0.0 0 0.0 0 0.0 6 28
541 B 560 SER S H H < 35TS- 0 0 -65.3 -35.3 -179.6 -137.2 99.3 38.6 537 -2.3 0 0.0 0 0.0 0 0.0 9 34
542 B 561 GLY G T h < <5T + 0 0 88.6 12.8 -173.4 148.0 51.8 52.7 538 -1.0 0 0.0 539 -0.6 0 0.0 6 34
543 B 562 ALA A t T - 0 0 -92.1 176.0 -178.0 -103.0 47.5 114.9 0 0.0 555 -2.4 0 0.0 0 0.0 11 45
552 B 571 ALA A H H > TS+ 0 0 -67.3 -46.3 177.7 53.3 118.6 23.9 0 0.0 556 -2.5 0 0.0 0 0.0 9 41
553 B 572 LYS K H H > TS+ 0 0 -56.8 -52.6 170.4 45.5 112.5 11.7 0 0.0 557 -1.3 0 0.0 0 0.0 7 36
554 B 573 VAL V H H > > TS+ 0 0 -59.6 -39.8 175.8 55.8 109.2 26.3 0 0.0 558 -2.0 0 0.0 557 -0.8 12 46
555 B 574 TYR Y H H X 3>TS+ 0 0 -58.8 -41.5 171.5 52.9 105.6 21.0 551 -2.4 559 -1.5 0 0.0 560 -0.6 12 53
556 B 575 ALA A H H < 35TS+ 0 0 -59.9 -31.5 173.1 37.9 117.1 40.4 552 -2.5 0 0.0 582 -0.5 0 0.0 13 36
557 B 576 GLN Q H H < <5TS+ 0 0 -82.4 -61.5 -171.0 3.3 137.8 22.2 553 -1.3 0 0.0 554 -0.8 0 0.0 8 36
558 B 577 GLN Q H H X 5TS+ 0 0 -113.9 1.3 -178.1 98.8 99.0 57.2 554 -2.0 562 -3.4 0 0.0 0 0.0 9 43
559 B 578 GLY G H H X 5TS+ 0 0 -54.2 -58.5 -175.8 39.6 88.8 25.3 555 -1.5 563 -3.3 0 0.0 0 0.0 12 60
560 B 579 LEU L H H > TS+ 0 0 -54.6 -51.7 175.1 44.1 114.1 18.3 0 0.0 565 -2.8 0 0.0 0 0.0 8 46
562 B 581 VAL V H H X TS+ 0 0 -61.5 -48.3 177.3 49.1 114.5 17.8 558 -3.4 566 -3.1 0 0.0 0 0.0 10 60
563 B 582 ALA A H H X TS+ 0 0 -55.0 -50.3 174.3 49.7 111.7 16.0 559 -3.3 567 -2.7 0 0.0 0 0.0 13 63
564 B 583 LYS K H H X TS+ 0 0 -52.6 -51.3 174.1 46.2 113.2 14.3 560 -3.6 568 -3.6 0 0.0 0 0.0 9 45
565 B 584 ALA A H H X TS+ 0 0 -60.8 -38.7 176.7 50.9 111.7 27.9 561 -2.8 569 -2.7 0 0.0 0 0.0 10 41
566 B 585 LEU L H H < >TS+ 0 0 -67.1 -41.0 169.4 43.0 114.1 15.3 562 -3.1 571 -1.8 0 0.0 0 0.0 13 53
567 B 586 LYS K H H < >5TS+ 0 0 -61.8 -45.3 171.2 58.1 112.0 9.1 563 -2.7 570 -2.2 0 0.0 0 0.0 12 42
568 B 587 ALA A H H < 35TS+ 0 0 -47.9 -48.4 175.1 50.4 104.6 28.4 564 -3.6 0 0.0 0 0.0 0 0.0 7 32
569 B 588 ALA A T h < 35TS- 0 0 -75.7 7.3 177.4 -81.0 131.4 71.1 565 -2.7 0 0.0 0 0.0 0 0.0 8 32
570 B 589 GLY G T T <5T + 0 0 117.8 -15.8 179.6 161.5 66.0 75.2 567 -2.2 0 0.0 0 0.0 0 0.0 7 33
571 B 590 ALA A t T - 0 0 -106.5 149.7 175.6 -123.7 35.6 149.4 0 0.0 582 -1.2 0 0.0 0 0.0 8 44
580 B 599 PHE F G G > TS+ 0 0 -62.7 -32.9 168.2 67.3 109.1 17.0 0 0.0 583 -2.1 0 0.0 0 0.0 10 40
581 B 600 LYS K G G > TS+ 0 0 -55.5 -21.2 171.3 73.3 85.1 41.0 0 0.0 584 -1.5 0 0.0 0 0.0 6 31
582 B 601 GLU E G G < TS+ 0 0 -60.8 -24.4 174.6 62.0 87.1 35.4 579 -1.2 556 -0.5 0 0.0 0 0.0 11 38
583 B 602 PHE F G G X TS- 0 0 -87.9 11.1 177.5 -161.3 90.2 72.5 580 -2.1 586 -2.4 0 0.0 0 0.0 14 38
584 B 603 GLY G G G X TS+ 0 0 46.9 -115.8 177.4 6.2 73.2 96.0 581 -1.5 587 -2.0 0 0.0 0 0.0 8 24
585 B 604 ASP D G G 3 TS+ 0 0 -76.8 1.4 165.4 59.0 130.6 60.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
586 B 605 ASP D G h > < TS+ 0 0 -100.2 7.9 -177.5 103.5 76.0 71.0 583 -2.4 590 -3.1 0 0.0 0 0.0 9 30
587 B 606 ALA A H H > < TS+ 0 0 -57.4 -51.6 177.3 44.4 79.8 21.4 584 -2.0 591 -3.2 0 0.0 0 0.0 11 36
588 B 607 ALA A H H > TS+ 0 0 -57.6 -54.7 175.8 45.1 117.5 9.1 0 0.0 592 -1.6 0 0.0 0 0.0 8 25
589 B 608 GLU E H H > TS+ 0 0 -56.2 -47.1 171.1 48.8 114.6 19.3 0 0.0 593 -0.8 0 0.0 0 0.0 8 30
590 B 609 ALA A H H X > TS+ 0 0 -58.8 -43.4 175.5 61.9 103.9 24.5 586 -3.1 594 -2.2 0 0.0 593 -1.2 13 43
591 B 610 GLU E H H < 3 TS+ 0 0 -51.9 -43.2 170.2 53.8 100.5 28.7 587 -3.2 0 0.0 0 0.0 0 0.0 9 36
592 B 611 LYS K H H < 3 TS+ 0 0 -60.8 -32.1 176.4 42.4 112.5 39.9 588 -1.6 0 0.0 0 0.0 0 0.0 7 32
593 B 612 LEU L H H < < TS+ 0 0 -85.5 -34.0 -179.9 81.1 101.2 37.9 590 -1.2 595 -0.6 589 -0.8 0 0.0 10 38
594 B 613 ILE I h < T - 0 0 -85.0 121.5 -178.6 -169.7 55.3 127.0 590 -2.2 0 0.0 0 0.0 0 0.0 12 50
595 B 614 ASP D - 0 0 -84.8 -10.0 179.1 -14.3 66.4 63.0 574 -1.8 0 0.0 593 -0.6 0 0.0 10 43
596 B 615 GLY G e - 0 0 172.1 157.6 -178.1 -120.0 62.2 150.9 0 0.0 576 -2.3 0 0.0 0 0.0 8 48
597 B 616 ARG R E E Dn - 576 0 -119.6 151.6 173.9 -145.5 5.1 149.8 0 0.0 0 0.0 0 0.0 0 0.0 10 55
598 B 617 LEU L E E Dn + 577 0 -109.2 124.7 -173.3 145.2 41.7 160.3 576 -2.3 578 -1.3 0 0.0 0 0.0 10 57
599 B 618 PHE F t > T - 0 0 -159.4 158.2 -179.4 -74.4 56.4 163.9 0 0.0 602 -1.6 0 0.0 0 0.0 8 43
600 B 619 MET M T T 3 TS+ 0 0 -64.7 122.5 -179.0 22.2 119.8 122.8 0 0.0 0 0.0 0 0.0 0 0.0 4 35
601 B 620 GLY G T T 3 TS+ 0 0 99.3 -4.8 176.7 144.2 90.8 70.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
602 B 621 MET M t < T - 0 0 -57.4 158.2 171.2 -106.4 62.0 97.1 599 -1.6 604 -1.0 0 0.0 0 0.0 8 38
603 B 622 ASP D h > T - 0 0 -87.5 112.3 -179.3 -175.1 36.1 142.4 0 0.0 607 -1.8 0 0.0 0 0.0 9 41
604 B 623 VAL V H H > TS+ 0 0 -80.3 -29.7 179.9 58.2 78.5 31.8 435 -2.2 608 -2.7 602 -1.0 0 0.0 10 54
605 B 624 VAL V H H > TS+ 0 0 -63.7 -50.3 178.8 43.8 109.2 14.0 435 -0.6 609 -2.7 0 0.0 0 0.0 11 54
606 B 625 ASP D H H > TS+ 0 0 -60.8 -53.6 172.8 44.4 117.8 21.1 0 0.0 610 -2.5 0 0.0 0 0.0 8 38
607 B 626 THR T H H X TS+ 0 0 -56.6 -49.7 -176.7 49.5 114.5 23.9 603 -1.8 611 -2.9 0 0.0 0 0.0 9 53
608 B 627 LEU L H H X TS+ 0 0 -63.4 -48.2 177.8 43.2 113.6 19.9 604 -2.7 612 -2.4 0 0.0 0 0.0 11 63
609 B 628 SER S H H X TS+ 0 0 -67.1 -38.4 172.4 52.8 113.4 18.3 605 -2.7 613 -2.8 0 0.0 0 0.0 9 49
610 B 629 SER S H H X TS+ 0 0 -60.0 -41.2 168.7 47.9 110.8 14.3 606 -2.5 614 -2.8 0 0.0 0 0.0 8 46
611 B 630 THR T H H X TS+ 0 0 -61.8 -37.8 173.4 51.2 110.6 24.9 607 -2.9 615 -2.5 0 0.0 0 0.0 8 52
612 B 631 LEU L H H < >TS+ 0 0 -65.7 -42.3 172.5 48.8 110.9 18.3 608 -2.4 617 -1.8 0 0.0 0 0.0 13 52
613 B 632 ASP D H H < >5TS+ 0 0 -57.0 -51.6 171.2 52.5 109.1 10.6 609 -2.8 616 -2.6 0 0.0 0 0.0 10 37
614 B 633 ILE I H H < 35TS+ 0 0 -52.3 -39.1 169.6 50.1 108.9 30.0 610 -2.8 0 0.0 0 0.0 0 0.0 9 38
615 B 634 LEU L T h < 35TS- 0 0 -79.8 4.9 174.5 -113.8 118.4 72.3 611 -2.5 0 0.0 0 0.0 0 0.0 9 44
616 B 635 GLY G T T <5T + 0 0 67.8 42.1 -179.8 154.2 60.6 29.5 613 -2.6 0 0.0 0 0.0 0 0.0 6 29
617 B 636 VAL V t >3<< >3><3<>33< >33< >33< >>3<< >33X33X33< 3-turns
bridge-2 bridge-2
bridge-1 AA AA bbcccc bridge-1
sheets AA AA BBBBBB sheets
4-turns >>>>XXXXXXX<<<< >>>>XX<<<< >>> 4-turns
summary gGGGg hHHHHHHHHHHHHHhTttTTt hHHHHHHHHhEEeTTteEE S gGGGg S tTTtTTtTTtSS S S SEEEEEE ShHH summary
sequence TLSLAGDFPKATEEQWEREVEKVLNRGRPPEKQLTFAECLKRLTVHTVDGIDIVPMYRPKDAPKKLGYPGVAPFTRGTTVRNGDMDAWDVRALHEDPDEK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHTTT EEEEEBSTTSB TTTHHHHSTT TTT EEEEE SS HHHHHHHHHHHHHTSSS GGG EEEEE HHHHHHHHTS TTSHHH Kabs/Sand
chirality +++++++++++-+-+-----+-++---++++++++++--+++----+--+++++++++++++++++-+--+++-+---++++++++++-+---+++++++ chirality
bends SSSSSSSSSSSSS S SSSSS SSSSSSSSSS SSS SS SSSSSSSSSSSSSSSSS SSS SSSSSSSS S SSSSS bends
turns TTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTT TTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33X33< >33<>33< >33< >>3<< >33< > 3-turns
bridge-2 ddddd ee f**f bridge-2
bridge-1 cccc a a ddddd ee bridge-1
sheets BBBBB BBBBB BBBBB sheets
4-turns >XXXXXX<<<< >44>X44<< >444< >>>>XXXXXXX<<<< >444< >>>>XX<<<< >>>> 4-turns
summary HHHHHHHHHHhTTteEEEEEetTTtBtTThHHHHhTTttTTTtEEEEE SShHHHHHHHHHHHHHhtSSgGGGgeEEEEEhHHHHHHHHht tTThHHH summary
sequence FTRKAILEGLERGVTSLLLRVDPDAIAPEHLDEVLSDVLLEMTKVEVFSRYDQGAAAEALVSVYERSDKPAKDLALNLGLDPIGFAALQGTEPDLTVLGD sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHTSSS TT EEEEEETHHHHTTT HHHHHHHHHHHHHHHHHHHHHTT HHHHHTTEEEEEEE S HHHHHHHHHHHHHHHHHHHHHHT GGG Kabs/Sand
chirality +++++++--++--+---+++++++-+--+++++++++++++++++++++-+--++++++++--+----+-+++++++++++++++++++++-+--++++- chirality
bends SSSSSSSS SS S SSSSSSS SSSSSSSSSSSSSSSSSSSSSSS SSSSSSS S SSSSSSSSSSSSSSSSSSSSSS SSS bends
turns TTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns 33X33< >33< >>33<< >33< >33< >33X>3<< >33< >33< >>3<< 3-turns
bridge-2 gggg hhhhh bridge-2
bridge-1 f*f gggg bridge-1
sheets BBBBBB BBBBBBB sheets
4-turns X<<<< >>44<< >>>>XXXXXXXXXXXXXXX<<<< >>>4X<<4< >>>>XXXXXXXXXXXXXXXX<<<< 4-turns
summary HHHHhtSStTTtEEEEEEhHHHHhTTthHHHHHHHHHHHHHHHHHHHHHhTthHHHHHheEEEEEEE ShHHHHHHHHHHHHHHHHHHHHHHhtgGGGg summary
sequence WVRRLAKFSPDSRAVTIDANIYHNAGAGDVAELAWALATGAEYVRALVEQGFTATEAFDTINFRVTATHDQFLTIARLRALREAWARIGEVFGVDEDKRG sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEE STT SSSTTHHHHHHHHHHHHHHHHT SEEE TTTTT EESSSHHHHHHHHHHHHHHHTS TTSSS TTTT HHHHHHHHHHHHHHHHH Kabs/Sand
chirality --------+++--++-+++++++++++++++++-+-+------++++------+++++++++++++++++-++++---++++-+++++++++++++++++ chirality
bends SSS SSS SSSSSSSSSSSSSSSSS SS SSSSS S SSSSSSSSSSSSSSSSSSSS SSSS SSSS SSSSSSSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>>X<<< >33< >3><3< >33< >3><3< 3-turns
bridge-2 iii iii bridge-2
bridge-1 hhhhh bb JJ bridge-1
sheets BBBBB BBB CC sheets
4-turns >>>>XXXXXXXXXX<<<< >444< >>>>XXXXXXXXX<<<< >>>>XXXXXXXXXXXXXX 4-turns
summary eEEEEEetTTt SStThHHHHHHHHHHHHHHHHhteEEE tTTTTTtEEeShHHHHHHHHHHHHHHHhttTTtSStTTTThHHHHHHHHHHHHHHHHH summary
sequence ARQNAITSWRELTREDPYVNILRGSIATFSASVGGAESITTLPFTQALGLPEDDFPLRIARNTGIVLAEEVNIGRVNDPAGGSYYVESLTRSLADAAWKE sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHHTT HHHHHHSSHHHHHHHHHHHHHHHHHHTTSS TTTSSS TT EE SS TTHHHHHHHHHHHHSSS B EEEE S Kabs/Sand
chirality ++++++---++++++-+++++++++++++++++++-++----+++----+--+--+----------++--+--++++++++++++++-+----------- chirality
bends SSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSS SS SS SSSSSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33X33< >33< >33< >33< >33< >33< 3-turns
bridge-2 lll bridge-2
bridge-1 JJ b kkkk bridge-1
sheets CC DDDD sheets
4-turns XXX<<<< >>>><<<<>>>>XXXXXXXXXXXX<<<< >444< >>>>XXXXXX<<<< 4-turns
summary HHHHHHhThHHHHHHhhHHHHHHHHHHHHHHHHHHhTtS tTTTtSS tTTt eEE SS tThHHHHHHHHHHHHhSS B EEEEeS summary
sequence FQEVEKLGGMSKAVMTEHVTKVLDACNAERAKRLANRKQPITAVSEFPMIGARSIETKPFPAAPARKGLAWHRDSEVFEQLMDRSTSVSERPKVFLACLG sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand HHHHHHHHHHHHHHHHHTT B EEE HHHHHHHHHHHT SEEEEE HHHHHHHHHHHHHHHHHTT SEEEEES GGGGGGGHHHHHHH EE T Kabs/Sand
chirality -+++++++++++++++++-+--++---+--++++++++++-+-+---++--+++++++++++++++++-+-+----+--+++-++++++++++----+-+ chirality
bends SSSSSSSSSSSSSSSSSS SSSSSSSSSSS S SSSSSSSSSSSSSSSSSS S SS SSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >33< >>><<< >33< >33< >33< >>>33< >3 3-turns
bridge-2 mmmmm nn bridge-2
bridge-1 b lll kkkk mmmmm nn bridge-1
sheets DDD DDDDD DDDDD DD sheets
4-turns >>44XX>>XX<<<< >>>>XXXXX<<<< >>>>X<>XXXX<<<< >>>>X<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHhTtB eEEEe hHHHHHHHHHHHhteEEEEEehHHHHHHHHHHHHHHHHHhTtSEEEEEegGGGGGGhHHHHHHHh eEEtT summary
sequence TRRDFGGREGFSSPVWHIAGIDTPQVEGGTTAEIVEAFKKSGAQVADLCSSAKVYAQQGLEVAKALKAAGAKALYLSGAFKEFGDDAAEAEKLIDGRLFM sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand T HHHHHHHHHHHTT Kabs/Sand
chirality +--+++++++++++-+- chirality
bends S SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXX<<<< 4-turns
summary TthHHHHHHHHHHHhTt summary
sequence GMDVVDTLSSTLDILGVAK sequence
610