Secondary structure calculation program - copyright by David Keith Smith, 1989
1jmuB.pdb
1JMU VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 608
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 43 PRO P 0 0 999.9 151.3 179.9 999.9 999.9 999.9 0 0.0 38 -0.5 0 0.0 0 0.0 8 38
2 B 44 GLY G + 0 0 -178.0 149.1 179.6 44.7 999.9 155.7 0 0.0 0 0.0 0 0.0 0 0.0 9 40
3 B 45 GLY G S S S- 0 0 123.2 -130.3 -179.0 -37.4 86.2 166.2 0 0.0 35 -2.1 0 0.0 0 0.0 9 43
4 B 46 VAL V E E AA - 82 0 -138.6 150.8 -179.8 -104.9 54.3 165.4 82 -1.4 82 -1.7 0 0.0 0 0.0 11 52
5 B 47 PRO P E E AA - 81 0 -80.4 128.1 178.8 -165.2 33.0 128.7 0 0.0 24 -2.6 0 0.0 0 0.0 14 54
6 B 48 TRP W E E AAB - 80 23 -118.5 133.3 -179.1 -165.7 2.0 162.0 80 -3.3 80 -2.4 0 0.0 0 0.0 14 58
7 B 49 ILE I E E A B - 0 22 -116.2 148.3 179.7 -93.1 37.2 149.1 22 -2.5 22 -1.7 0 0.0 0 0.0 10 52
8 B 50 ALA A E E A B - 0 21 -61.1 114.8 -178.7 -132.0 37.8 116.8 0 0.0 0 0.0 0 0.0 0 0.0 11 39
9 B 51 ILE I S e S- 0 0 -37.1 -44.3 179.1 -36.7 79.9 39.4 20 -2.7 0 0.0 0 0.0 0 0.0 7 28
10 B 52 GLY G S S S+ 0 0 -154.5 -33.2 -177.3 79.7 119.8 66.0 0 0.0 12 -0.7 0 0.0 0 0.0 5 22
11 B 53 ASP D S S S- 0 0 -103.5 109.7 179.6 -131.6 70.2 141.9 0 0.0 0 0.0 0 0.0 0 0.0 8 20
12 B 54 GLU E S S S- 0 0 -54.9 122.3 178.5 -22.7 83.4 104.4 10 -0.7 14 -1.7 0 0.0 0 0.0 6 21
13 B 55 THR T S S S+ 0 0 66.5 -33.2 179.7 97.0 113.7 91.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
14 B 56 SER S + 0 0 -72.7 25.0 179.5 135.5 54.7 82.5 12 -1.7 0 0.0 0 0.0 0 0.0 5 19
15 B 57 VAL V + 0 0 -77.0 127.8 -178.9 145.3 14.2 127.7 0 0.0 0 0.0 0 0.0 0 0.0 10 28
16 B 58 THR T + 0 0 -132.2 -51.9 179.3 49.1 49.1 48.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
17 B 59 SER S S g > TS- 0 0 -93.6 162.8 179.7 -110.6 84.1 123.7 0 0.0 20 -1.6 0 0.0 0 0.0 8 25
18 B 60 PRO P G G > TS+ 0 0 -61.4 -20.1 179.5 66.0 118.9 39.7 0 0.0 21 -1.2 0 0.0 0 0.0 8 33
19 B 61 GLY G G G 3 TS+ 0 0 -70.4 -27.2 -179.6 70.5 84.1 37.8 0 0.0 0 0.0 0 0.0 0 0.0 6 27
20 B 62 ALA A G e < TS+ 0 0 -70.0 2.0 -179.0 76.7 94.0 63.1 17 -1.6 9 -2.7 0 0.0 0 0.0 11 31
21 B 63 LEU L E E AB < T - 8 0 -116.4 157.7 178.6 -174.8 56.3 142.0 18 -1.2 0 0.0 0 0.0 0 0.0 13 38
22 B 64 ARG R E E AB - 7 0 -149.0 148.1 -179.3 -85.9 42.3 174.7 7 -1.7 7 -2.5 0 0.0 0 0.0 10 41
23 B 65 ARG R E E AB - 6 0 -56.2 110.9 178.8 -125.4 49.3 110.5 0 0.0 0 0.0 0 0.0 0 0.0 10 45
24 B 66 MET M e - 0 0 -59.3 129.1 -179.5 -162.8 35.7 112.8 5 -2.6 33 -1.4 0 0.0 0 0.0 10 48
25 B 67 THR T B B A > T - 32 0 -111.7 179.5 -179.3 -95.5 35.3 123.7 0 0.0 28 -1.3 0 0.0 0 0.0 10 37
26 B 68 SER S G G > TS+ 0 0 -62.5 -29.1 -179.8 72.9 116.1 37.4 31 -2.9 29 -1.8 0 0.0 0 0.0 10 32
27 B 69 LYS K G G 3 TS+ 0 0 -71.3 14.3 179.4 65.7 87.1 74.8 0 0.0 0 0.0 0 0.0 0 0.0 6 22
28 B 70 ASP D G G < T 0 0 -118.3 10.5 179.1 999.9 999.9 77.9 25 -1.3 0 0.0 0 0.0 0 0.0 5 30
29!B 71 ILE I g < T 0 0 -150.3 999.9 999.9 999.9 999.9 136.6 26 -1.8 0 0.0 0 0.0 0 0.0 4 27
30!B 97 ASP D 0 0 999.9 51.4 -179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
31 B 98 GLU E - 0 0 -71.5 155.7 179.0 -110.6 999.9 106.3 0 0.0 26 -2.9 0 0.0 0 0.0 8 26
32 B 99 PRO P B B A - 25 0 -77.7 169.7 -179.2 -116.7 38.9 109.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35
33 B 100 LEU L - 0 0 -113.9 160.8 179.8 -158.4 20.4 139.0 24 -1.4 0 0.0 0 0.0 0 0.0 14 47
34 B 101 VAL V E E AC - 99 0 -137.5 141.4 179.6 -115.9 23.9 173.9 99 -1.9 99 -2.0 0 0.0 0 0.0 11 52
35 B 102 VAL V E E AC - 98 0 -76.9 124.9 178.0 -141.7 24.8 128.0 3 -2.1 37 -0.8 0 0.0 0 0.0 13 51
36 B 103 VAL V e - 0 0 -88.5 115.1 -177.8 -130.6 27.1 143.4 97 -2.1 0 0.0 0 0.0 0 0.0 13 47
37 B 104 THR T h > T - 0 0 -68.8 157.1 179.2 -116.0 13.9 101.3 35 -0.8 41 -2.4 0 0.0 0 0.0 9 36
38 B 105 GLU E H H > TS+ 0 0 -53.1 -44.5 -179.6 49.4 120.1 24.7 1 -0.5 42 -2.1 0 0.0 0 0.0 7 28
39 B 106 HIS H H H > TS+ 0 0 -61.3 -53.9 -179.4 51.2 107.7 19.2 0 0.0 43 -2.5 0 0.0 0 0.0 6 22
40 B 107 ALA A H H > TS+ 0 0 -54.4 -39.5 -179.7 51.6 110.1 30.2 0 0.0 44 -2.5 0 0.0 0 0.0 8 32
41 B 108 ILE I H H X TS+ 0 0 -63.9 -50.7 -178.9 47.4 110.0 16.9 37 -2.4 45 -1.6 0 0.0 0 0.0 11 33
42 B 109 ALA A H H X TS+ 0 0 -59.0 -42.4 -178.3 42.0 117.7 26.8 38 -2.1 46 -1.2 0 0.0 0 0.0 8 23
43 B 110 ASN N H H X TS+ 0 0 -76.9 -43.3 179.2 48.9 111.8 24.8 39 -2.5 47 -1.3 0 0.0 0 0.0 8 23
44 B 111 PHE F H H X TS+ 0 0 -65.7 -26.4 178.6 56.1 109.9 35.0 40 -2.5 48 -1.6 0 0.0 0 0.0 9 38
45 B 112 THR T H H X TS+ 0 0 -68.1 -41.1 179.1 50.7 105.2 26.4 41 -1.6 49 -1.2 0 0.0 0 0.0 11 32
46 B 113 LYS K H H X TS+ 0 0 -66.9 -25.4 178.6 60.4 103.8 38.3 42 -1.2 50 -0.9 0 0.0 0 0.0 8 29
47 B 114 ALA A H H X > TS+ 0 0 -66.2 -46.1 178.5 55.8 98.8 20.9 43 -1.3 50 -1.1 0 0.0 51 -0.6 9 33
48 B 115 GLU E H H X > TS+ 0 0 -51.4 -42.3 179.7 62.9 98.1 28.9 44 -1.6 51 -1.7 0 0.0 52 -1.7 12 41
49 B 116 MET M H H X 3 TS+ 0 0 -51.9 -38.4 179.9 68.7 90.2 30.1 45 -1.2 53 -1.3 0 0.0 0 0.0 8 40
50 B 117 ALA A H H < < TS+ 0 0 -50.3 -37.6 -179.6 41.3 104.6 31.1 47 -1.1 0 0.0 46 -0.9 0 0.0 8 44
51 B 118 LEU L H H < X TS+ 0 0 -77.8 -44.0 -178.7 59.4 108.0 23.7 48 -1.7 54 -2.3 47 -0.6 0 0.0 12 52
52 B 119 GLU E H H < > TS+ 0 0 -61.5 -14.9 178.4 73.7 88.2 51.8 48 -1.7 55 -1.2 0 0.0 0 0.0 8 47
53 B 120 PHE F T h < 3 TS+ 0 0 -69.6 -20.0 -179.0 33.2 109.7 42.3 49 -1.3 0 0.0 0 0.0 0 0.0 9 46
54 B 121 ASN N T h > < TS+ 0 0 -125.3 33.3 -179.8 126.7 79.2 96.4 51 -2.3 58 -3.0 0 0.0 0 0.0 10 53
55 B 122 ARG R H H > < TS+ 0 0 -57.1 -48.8 179.8 55.2 72.9 21.3 52 -1.2 59 -2.6 0 0.0 0 0.0 8 45
56 B 123 GLU E H H > TS+ 0 0 -54.0 -39.7 179.1 40.9 114.4 30.0 0 0.0 60 -1.5 0 0.0 0 0.0 9 40
57 B 124 PHE F H H > TS+ 0 0 -75.0 -49.7 -179.7 55.9 110.6 18.2 0 0.0 61 -0.9 0 0.0 0 0.0 11 46
58 B 125 LEU L H H < >TS+ 0 0 -49.0 -44.6 -179.9 43.0 112.5 28.4 54 -3.0 63 -1.4 0 0.0 0 0.0 12 45
59 B 126 ASP D H H < >5TS+ 0 0 -70.4 -45.5 178.8 55.2 108.5 20.9 55 -2.6 62 -3.1 0 0.0 0 0.0 10 28
60 B 127 LYS K H H < 35TS+ 0 0 -60.9 -9.4 -179.8 53.0 109.4 50.7 56 -1.5 0 0.0 0 0.0 0 0.0 6 30
61 B 128 LEU L T h < 35TS- 0 0 -103.4 -2.4 179.8 -129.0 111.0 66.4 57 -0.9 0 0.0 0 0.0 0 0.0 6 34
62 B 129 ARG R T T <5T + 0 0 51.7 54.7 179.8 121.7 65.2 23.8 59 -3.1 0 0.0 0 0.0 0 0.0 7 20
63 B 130 VAL V t > T - 0 0 42.1 86.8 -178.1 -157.3 6.6 20.5 0 0.0 72 -1.2 0 0.0 73 -0.6 8 37
70 B 137 TYR Y H H > > TS+ 0 0 -55.5 -51.8 -179.1 63.4 86.2 27.8 0 0.0 73 -1.3 0 0.0 74 -1.0 10 44
71 B 138 SER S H H 4 3 TS+ 0 0 -51.7 -20.0 179.3 64.3 97.3 43.8 0 0.0 0 0.0 0 0.0 0 0.0 7 38
72 B 139 ASP D H H 4 < TS+ 0 0 -71.3 -42.5 -178.5 47.0 100.3 24.3 69 -1.2 0 0.0 0 0.0 0 0.0 5 28
73 B 140 LEU L H H < < TS+ 0 0 -75.6 -14.1 -179.8 101.2 92.6 50.6 70 -1.3 0 0.0 69 -0.6 0 0.0 8 39
74 B 141 LEU L h < T - 0 0 -72.2 148.9 179.2 -157.1 58.0 113.7 70 -1.0 0 0.0 0 0.0 0 0.0 10 42
75 B 142 THR T E E A D - 0 98 -130.6 110.3 -179.5 -142.4 10.5 161.6 98 -1.8 98 -1.0 0 0.0 0 0.0 8 41
76 B 143 TYR Y E E A D + 0 97 -76.7 131.0 -177.5 176.0 27.7 124.0 0 0.0 0 0.0 0 0.0 0 0.0 8 38
77 B 144 VAL V E E A D - 0 96 -140.4 146.3 177.4 -128.4 32.9 171.1 96 -1.6 96 -3.0 0 0.0 0 0.0 9 41
78 B 145 ASP D E E A * + 0 0 -89.0 131.2 -177.9 115.1 57.9 141.3 0 0.0 0 0.0 0 0.0 0 0.0 9 40
79 B 146 CYS C E E A D - 0 93 -177.2 178.2 177.6 -69.6 68.3 170.3 93 -2.6 93 -3.5 0 0.0 0 0.0 11 54
80 B 147 TYR Y E E AAD - 6 92 -88.9 136.7 -177.2 -152.1 51.9 138.5 6 -2.4 6 -3.3 0 0.0 0 0.0 13 51
81 B 148 VAL V E E AA + 5 0 -121.5 137.1 179.2 102.0 32.8 158.8 91 -2.9 0 0.0 88 -0.5 0 0.0 16 46
82 B 149 GLY G E E AA - 4 0 169.7 163.9 178.3 -108.4 66.3 156.6 4 -1.7 4 -1.4 0 0.0 0 0.0 15 40
83 B 150 VAL V S S S+ 0 0 -77.6 -30.5 179.6 30.9 108.8 37.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
84 B 151 SER S S h > TS- 0 0 -119.5 173.5 178.7 -112.7 87.4 134.7 0 0.0 88 -1.7 0 0.0 0 0.0 6 32
85 B 152 ALA A H H > TS+ 0 0 -71.2 -54.8 179.9 51.8 113.8 14.5 0 0.0 89 -3.3 0 0.0 0 0.0 12 33
86 B 153 ARG R H H > TS+ 0 0 -48.1 -54.4 179.2 44.1 112.8 24.5 0 0.0 90 -0.8 0 0.0 0 0.0 9 29
87 B 154 GLN Q H H 4 > TS+ 0 0 -56.6 -52.6 -179.7 48.2 116.0 14.8 0 0.0 90 -1.3 0 0.0 0 0.0 10 31
88 B 155 ALA A H H < > TS+ 0 0 -53.2 -42.4 -179.4 70.0 99.6 29.3 84 -1.7 91 -2.3 0 0.0 81 -0.5 13 40
89 B 156 LEU L H H < 3 TS+ 0 0 -47.8 -35.9 179.8 37.1 105.5 41.4 85 -3.3 0 0.0 0 0.0 0 0.0 15 37
90 B 157 ASN N T h < < TS+ 0 0 -110.7 32.6 -179.8 72.7 108.0 95.0 87 -1.3 0 0.0 86 -0.8 0 0.0 7 32
91 B 158 ASN N e < T + 0 0 -148.0 77.5 179.3 175.0 55.9 122.8 88 -2.3 81 -2.9 0 0.0 0 0.0 9 35
92 B 159 PHE F E E A D - 0 80 -83.7 140.5 -179.8 -168.0 13.7 130.5 0 0.0 0 0.0 0 0.0 0 0.0 10 41
93 B 160 GLN Q E E A D - 0 79 -134.3 146.7 178.5 -141.0 17.0 167.8 79 -3.5 79 -2.6 0 0.0 0 0.0 9 35
94 B 161 LYS K E E A * S+ 0 0 -104.6 132.8 178.1 7.0 83.0 151.3 0 0.0 0 0.0 0 0.0 0 0.0 7 25
95 B 162 GLN Q E E A * S- 0 0 64.6 60.1 179.7 -176.9 75.8 12.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
96 B 163 VAL V E E A D - 0 77 -92.5 123.7 179.5 -122.5 29.2 141.6 77 -3.0 77 -1.6 0 0.0 0 0.0 13 43
97 B 164 PRO P E E A D + 0 76 -64.1 125.1 -178.2 178.0 44.2 119.8 0 0.0 36 -2.1 0 0.0 0 0.0 11 47
98 B 165 VAL V E E ACD + 35 75 -135.0 153.1 179.3 167.2 14.4 162.7 75 -1.0 75 -1.8 0 0.0 0 0.0 13 52
99 B 166 ILE I E E AC - 34 0 -160.3 154.0 178.6 -114.4 31.4 172.0 34 -2.0 34 -1.9 0 0.0 0 0.0 13 50
100 B 167 THR T h > > T - 0 0 -90.3 150.8 180.0 -116.8 32.3 130.7 0 0.0 104 -2.3 0 0.0 103 -0.5 11 40
101 B 168 PRO P H H > 3 TS+ 0 0 -49.1 -51.7 -180.0 54.6 114.0 24.2 0 0.0 105 -3.2 0 0.0 0 0.0 10 32
102 B 169 THR T H H > 3 TS+ 0 0 -53.9 -40.0 -179.7 45.7 110.1 32.0 0 0.0 106 -2.9 0 0.0 0 0.0 6 25
103 B 170 ARG R H H > < TS+ 0 0 -74.9 -36.0 178.9 51.9 111.1 27.7 100 -0.5 107 -2.4 0 0.0 0 0.0 9 32
104 B 171 GLN Q H H X TS+ 0 0 -62.5 -45.7 179.4 44.0 114.8 18.2 100 -2.3 108 -2.3 0 0.0 0 0.0 9 39
105 B 172 THR T H H X TS+ 0 0 -62.6 -51.8 179.7 52.7 110.8 16.4 101 -3.2 109 -2.9 0 0.0 0 0.0 8 27
106 B 173 MET M H H X TS+ 0 0 -51.0 -40.0 179.8 50.8 110.6 28.4 102 -2.9 110 -0.8 0 0.0 0 0.0 8 28
107 B 174 TYR Y H H X > TS+ 0 0 -62.7 -56.8 -179.4 44.5 111.0 15.1 103 -2.4 111 -1.6 0 0.0 110 -1.3 10 38
108 B 175 VAL V H H X 3 TS+ 0 0 -57.7 -38.9 179.7 58.9 108.7 28.4 104 -2.3 112 -3.1 0 0.0 0 0.0 8 39
109 B 176 ASP D H H X 3 TS+ 0 0 -62.8 -23.9 180.0 52.9 103.7 39.6 105 -2.9 113 -2.0 0 0.0 0 0.0 8 27
110 B 177 SER S H H X < TS+ 0 0 -77.7 -39.0 179.8 45.3 111.0 28.4 107 -1.3 114 -1.5 106 -0.8 0 0.0 9 35
111 B 178 ILE I H H X TS+ 0 0 -68.4 -44.6 179.9 45.2 116.7 21.4 107 -1.6 115 -2.4 0 0.0 0 0.0 12 40
112 B 179 GLN Q H H X TS+ 0 0 -64.6 -45.3 178.8 53.1 110.2 24.5 108 -3.1 116 -2.7 0 0.0 0 0.0 8 33
113 B 180 ALA A H H X TS+ 0 0 -57.2 -37.9 179.8 49.5 111.1 28.0 109 -2.0 117 -1.2 0 0.0 0 0.0 8 30
114 B 181 ALA A H H X > TS+ 0 0 -66.9 -49.9 179.6 48.6 109.8 18.1 110 -1.5 118 -1.7 0 0.0 117 -0.6 10 40
115 B 182 LEU L H H X 3 TS+ 0 0 -58.2 -37.8 178.7 57.6 106.9 30.1 111 -2.4 119 -0.8 0 0.0 0 0.0 9 38
116 B 183 LYS K H H < 3 TS+ 0 0 -60.5 -35.1 179.6 49.8 106.3 32.5 112 -2.7 0 0.0 0 0.0 0 0.0 7 25
117 B 184 ALA A H H < < TS+ 0 0 -71.7 -35.9 -179.7 50.2 109.3 31.5 113 -1.2 0 0.0 114 -0.6 0 0.0 7 35
118 B 185 LEU L H H X TS+ 0 0 -77.8 -10.2 180.0 113.3 81.3 54.4 114 -1.7 122 -3.2 0 0.0 0 0.0 9 43
119 B 186 GLU E H H X TS+ 0 0 -25.4 -67.7 -179.0 24.2 85.5 39.6 115 -0.8 123 -1.0 0 0.0 0 0.0 8 29
120 B 187 LYS K H H > TS+ 0 0 -75.2 -46.0 178.8 58.5 118.3 23.7 0 0.0 124 -2.9 0 0.0 0 0.0 8 32
121 B 188 TRP W H H > TS+ 0 0 -50.0 -37.6 179.3 56.8 104.2 29.6 0 0.0 125 -2.0 0 0.0 0 0.0 9 46
122 B 189 GLU E H H X TS+ 0 0 -59.7 -45.5 -179.9 41.0 111.7 25.5 118 -3.2 126 -1.2 0 0.0 0 0.0 8 43
123 B 190 ILE I H H X TS+ 0 0 -70.3 -52.3 -179.8 50.0 113.6 18.8 119 -1.0 127 -2.6 0 0.0 0 0.0 8 31
124 B 191 ASP D H H X TS+ 0 0 -57.1 -33.4 -179.6 52.4 110.9 33.1 120 -2.9 128 -1.2 0 0.0 0 0.0 11 36
125 B 192 LEU L H H X TS+ 0 0 -72.9 -33.3 178.0 46.8 109.9 34.9 121 -2.0 129 -1.0 0 0.0 0 0.0 11 53
126 B 193 ARG R H H X TS+ 0 0 -73.9 -36.9 179.6 57.9 107.8 31.0 122 -1.2 130 -0.8 0 0.0 0 0.0 8 39
127 B 194 VAL V H H X TS+ 0 0 -60.9 -34.1 -179.9 50.5 105.6 31.6 123 -2.6 131 -1.2 0 0.0 0 0.0 9 36
128 B 195 ALA A H H X TS+ 0 0 -73.5 -31.5 -178.3 52.4 108.6 32.3 124 -1.2 132 -0.5 0 0.0 0 0.0 10 47
129 B 196 GLN Q H H < >TS+ 0 0 -82.8 -7.0 -179.7 35.0 117.5 56.8 125 -1.0 134 -0.5 0 0.0 0 0.0 9 43
130 B 197 THR T H H < 5TS+ 0 0 -122.1 -8.4 179.4 86.7 90.4 60.8 126 -0.8 0 0.0 0 0.0 0 0.0 8 30
131 B 198 LEU L H H < 5TS+ 0 0 -57.9 -39.4 177.4 9.3 112.8 25.8 127 -1.2 0 0.0 0 0.0 0 0.0 7 31
132 B 199 LEU L T h < 5TS- 0 0 -133.9 157.8 -179.8 -71.0 112.3 157.3 128 -0.5 0 0.0 0 0.0 0 0.0 6 46
133 B 200 PRO P T T 5T + 0 0 -56.5 119.4 179.7 172.5 46.5 108.1 0 0.0 0 0.0 0 0.0 0 0.0 9 45
134 B 201 THR T t > T - 0 0 -53.1 107.0 -179.0 -141.4 36.5 110.2 0 0.0 147 -2.3 0 0.0 148 -2.0 8 34
145 B 212 MET M H H > 3 TS+ 0 0 -43.1 -31.0 -179.6 57.5 102.8 38.4 0 0.0 149 -2.2 0 0.0 0 0.0 6 43
146 B 213 GLN Q H H > 3 TS+ 0 0 -70.9 -34.3 178.6 50.2 104.0 30.5 0 0.0 150 -2.0 0 0.0 0 0.0 9 31
147 B 214 SER S H H > < TS+ 0 0 -68.1 -40.4 179.5 52.8 109.6 26.3 144 -2.3 151 -2.8 0 0.0 0 0.0 13 33
148 B 215 VAL V H H X TS+ 0 0 -60.9 -47.3 179.9 44.1 111.3 21.2 144 -2.0 152 -2.6 0 0.0 0 0.0 12 47
149 B 216 VAL V H H X TS+ 0 0 -67.3 -33.9 178.3 56.0 110.8 30.7 145 -2.2 153 -2.7 0 0.0 0 0.0 8 49
150 B 217 LYS K H H X TS+ 0 0 -59.3 -52.1 -179.5 46.3 109.8 13.8 146 -2.0 154 -2.0 0 0.0 0 0.0 9 32
151 B 218 LEU L H H X TS+ 0 0 -54.9 -54.9 179.3 48.5 112.5 19.4 147 -2.8 155 -1.8 0 0.0 0 0.0 10 38
152 B 219 LEU L H H X TS+ 0 0 -51.7 -48.1 -179.1 51.4 110.9 23.5 148 -2.6 156 -3.7 0 0.0 0 0.0 10 45
153 B 220 ASP D H H < TS+ 0 0 -60.1 -33.8 -180.0 47.1 112.4 32.6 149 -2.7 0 0.0 0 0.0 0 0.0 8 37
154 B 221 ASP D H H < TS+ 0 0 -81.0 -22.2 -177.5 25.0 126.8 43.0 150 -2.0 0 0.0 0 0.0 0 0.0 6 27
155 B 222 GLN Q H H < TS+ 0 0 -116.9 -26.5 -179.7 109.3 85.6 44.6 151 -1.8 0 0.0 0 0.0 0 0.0 6 29
156 B 223 LEU L S h < TS- 0 0 -55.3 144.8 179.8 -94.0 80.1 100.8 152 -3.7 0 0.0 0 0.0 0 0.0 9 32
157 B 224 PRO P t > T - 0 0 -58.3 143.0 -179.8 -118.9 33.0 107.5 0 0.0 160 -2.1 0 0.0 0 0.0 5 28
158 B 225 ASP D T T 3 TS+ 0 0 -50.1 -46.7 -178.4 52.7 112.7 26.9 0 0.0 0 0.0 0 0.0 0 0.0 5 22
159 B 226 ASP D T T 3 TS+ 0 0 -76.0 9.5 -180.0 133.3 78.8 72.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
160 B 227 SER S g X T - 0 0 -63.5 135.8 178.5 -142.8 56.6 112.9 157 -2.1 163 -0.8 0 0.0 0 0.0 9 34
161 B 228 LEU L G G > > TS+ 0 0 -69.7 -20.2 179.8 73.1 97.9 42.5 0 0.0 165 -1.5 0 0.0 164 -0.8 9 39
162 B 229 ILE I G G 4 3 TS+ 0 0 -62.2 -33.4 179.2 56.0 90.7 31.2 0 0.0 0 0.0 0 0.0 0 0.0 11 46
163 B 230 ARG R G G 4 < TS+ 0 0 -69.1 -23.4 -179.8 44.9 111.6 40.5 160 -0.8 0 0.0 0 0.0 0 0.0 9 33
164 B 231 ARG R T g 4 < TS+ 0 0 -93.8 -19.6 179.2 26.2 126.3 49.4 161 -0.8 0 0.0 0 0.0 0 0.0 6 29
165 B 232 TYR Y h X T + 0 0 -141.2 57.4 -179.7 158.6 67.7 109.8 161 -1.5 169 -2.5 0 0.0 0 0.0 9 36
166 B 233 PRO P H H > TS+ 0 0 -46.8 -50.6 -178.7 47.9 77.9 29.0 0 0.0 170 -2.1 0 0.0 0 0.0 8 42
167 B 234 LYS K H H > TS+ 0 0 -64.2 -37.1 179.8 49.2 112.0 29.5 0 0.0 171 -2.0 0 0.0 0 0.0 6 39
168 B 235 GLU E H H > TS+ 0 0 -68.9 -37.3 178.5 51.5 110.5 27.3 0 0.0 172 -2.7 0 0.0 0 0.0 11 41
169 B 236 ALA A H H X TS+ 0 0 -63.9 -38.4 -179.7 56.6 106.2 29.1 165 -2.5 173 -2.7 0 0.0 0 0.0 11 49
170 B 237 ALA A H H X TS+ 0 0 -58.3 -53.6 179.8 42.2 110.2 17.1 166 -2.1 174 -2.8 0 0.0 0 0.0 9 53
171 B 238 VAL V H H X TS+ 0 0 -57.7 -52.0 -179.7 55.8 112.1 17.7 167 -2.0 175 -2.8 0 0.0 0 0.0 10 48
172 B 239 ALA A H H X TS+ 0 0 -47.3 -50.1 179.1 41.1 112.8 27.5 168 -2.7 176 -0.5 0 0.0 0 0.0 12 51
173 B 240 LEU L H H X > TS+ 0 0 -64.6 -55.1 -179.8 50.5 114.3 13.5 169 -2.7 176 -2.3 0 0.0 177 -2.2 10 54
174 B 241 ALA A H H < 3 TS+ 0 0 -53.4 -30.9 179.4 63.7 102.9 36.8 170 -2.8 0 0.0 0 0.0 0 0.0 15 41
175 B 242 LYS K H H < 3 TS+ 0 0 -67.2 -21.8 -179.2 24.6 118.2 43.5 171 -2.8 195 -2.0 0 0.0 0 0.0 11 41
176 B 243 ARG R H H < < TS+ 0 0 -120.7 -10.0 179.9 59.0 117.8 57.4 173 -2.3 178 -0.5 172 -0.5 0 0.0 11 42
177 B 244 ASN N h < > T - 0 0 -127.1 100.8 -179.9 -166.0 55.8 150.8 173 -2.2 180 -2.7 0 0.0 0 0.0 10 43
178 B 245 GLY G T T 3 TS+ 0 0 -54.7 -18.6 -178.9 64.4 90.0 45.0 176 -0.5 0 0.0 0 0.0 0 0.0 11 38
179 B 246 GLY G T T 3 TS+ 0 0 -83.6 -9.8 178.9 73.3 88.5 56.1 0 0.0 181 -0.7 0 0.0 0 0.0 6 42
180 B 247 ILE I t < T + 0 0 -108.3 109.0 -179.0 170.5 64.3 155.5 177 -2.7 0 0.0 0 0.0 0 0.0 8 47
181 B 248 GLN Q - 0 0 -126.3 130.6 -179.9 -153.1 22.2 166.8 179 -0.7 183 -0.6 0 0.0 0 0.0 10 39
182 B 249 TRP W - 0 0 -103.2 120.0 179.8 -124.3 23.9 150.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
183 B 250 MET M - 0 0 -62.8 137.5 177.7 -119.6 22.0 109.7 181 -0.6 185 -0.7 0 0.0 0 0.0 8 25
184 B 251 ASP D t > T - 0 0 -77.9 113.6 -178.8 -152.8 16.9 134.1 189 -3.4 188 -1.3 0 0.0 0 0.0 8 18
185 B 252 VAL V T T 4 TS+ 0 0 -55.8 -36.9 179.8 58.2 92.1 28.5 183 -0.7 0 0.0 0 0.0 0 0.0 6 13
186 B 253 SER S T T 4 TS+ 0 0 -58.3 -67.2 -179.2 14.8 122.8 11.1 0 0.0 0 0.0 0 0.0 0 0.0 5 9
187 B 254 GLU E T T 4 TS- 0 0 -100.1 21.8 -179.7 -122.4 92.1 81.3 0 0.0 0 0.0 0 0.0 0 0.0 5 10
188 B 255 GLY G t < T + 0 0 48.5 16.0 179.8 145.5 67.8 44.8 184 -1.3 0 0.0 0 0.0 0 0.0 7 11
189 B 256 THR T - 0 0 -86.2 148.7 -179.0 -175.5 28.9 125.3 0 0.0 184 -3.4 0 0.0 0 0.0 8 13
190 B 257 VAL V + 0 0 -146.0 130.7 178.4 144.4 14.2 170.5 0 0.0 0 0.0 0 0.0 0 0.0 8 22
191 B 258 MET M - 0 0 -164.5 167.1 179.8 -67.0 51.7 177.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
192 B 259 ASN N + 0 0 -57.6 117.8 179.8 175.0 38.0 111.6 0 0.0 0 0.0 0 0.0 0 0.0 9 26
193 B 260 GLU E + 0 0 -105.9 -0.6 -179.1 124.4 37.0 66.4 0 0.0 0 0.0 0 0.0 0 0.0 10 33
194 B 261 ALA A - 0 0 -62.2 148.4 -179.6 -160.0 47.5 103.9 0 0.0 0 0.0 0 0.0 0 0.0 10 34
195 B 262 VAL V S S S+ 0 0 -113.2 12.6 -177.9 70.7 78.5 78.4 175 -2.0 0 0.0 0 0.0 0 0.0 6 30
196 B 263 ASN N h > T + 0 0 -121.4 30.8 -179.4 124.7 48.5 90.5 0 0.0 200 -2.3 0 0.0 0 0.0 8 28
197 B 264 ALA A H H > TS+ 0 0 -57.4 -43.6 -179.1 52.6 77.2 23.8 0 0.0 201 -1.4 0 0.0 0 0.0 8 22
198 B 265 VAL V H H > TS+ 0 0 -57.9 -48.9 -179.1 46.9 110.6 20.5 0 0.0 202 -0.6 0 0.0 0 0.0 6 20
199 B 266 ALA A H H > > TS+ 0 0 -58.4 -52.8 -178.8 52.8 109.3 18.1 0 0.0 202 -1.9 0 0.0 203 -0.6 7 21
200 B 267 ALA A H H X > TS+ 0 0 -57.2 -25.8 -179.1 70.2 95.9 39.4 196 -2.3 203 -0.9 0 0.0 204 -0.5 8 31
201 B 268 SER S H H < 3 TS+ 0 0 -63.3 -26.4 179.9 49.1 99.0 36.4 197 -1.4 0 0.0 0 0.0 0 0.0 7 30
202 B 269 ALA A H H < < TS+ 0 0 -85.6 -16.0 -179.5 53.6 108.7 50.4 199 -1.9 213 -2.6 198 -0.6 0 0.0 9 25
203 B 270 LEU L H H < < TS+ 0 0 -98.6 0.8 -179.0 85.9 94.9 67.5 200 -0.9 0 0.0 199 -0.6 0 0.0 10 34
204 B 271 ALA A S h < TS- 0 0 -109.1 150.3 179.8 -120.3 74.5 142.1 200 -0.5 0 0.0 0 0.0 0 0.0 11 40
205 B 272 PRO P - 0 0 -80.6 152.6 176.4 -139.0 20.4 117.7 0 0.0 0 0.0 0 0.0 0 0.0 12 40
206 B 273 SER S B B B > T - 209 0 -99.6 176.2 -178.5 -79.0 47.3 121.2 209 -2.3 209 -0.7 0 0.0 0 0.0 7 32
207 B 274 ALA A T T 3 TS+ 0 0 -50.6 -23.7 -178.7 8.1 127.5 42.1 0 0.0 0 0.0 0 0.0 0 0.0 4 25
208 B 275 SER S T T 3 TS+ 0 0 -146.0 18.0 179.3 71.0 117.3 74.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
209 B 276 ALA A B B B < TS- 206 0 -139.7 144.7 179.6 -118.3 71.7 173.3 206 -0.7 206 -2.3 0 0.0 0 0.0 9 35
210 B 277 PRO P - 0 0 -72.4 165.0 180.0 -64.2 59.3 106.7 0 0.0 0 0.0 0 0.0 0 0.0 13 41
211 B 278 PRO P h > T - 0 0 -50.8 143.7 178.8 -131.5 39.9 97.0 0 0.0 215 -2.2 0 0.0 0 0.0 11 41
212 B 279 LEU L H H > TS+ 0 0 -66.0 -36.1 179.5 55.9 107.8 31.0 0 0.0 216 -2.2 0 0.0 0 0.0 11 34
213 B 280 GLU E H H > TS+ 0 0 -63.4 -39.3 179.9 47.5 109.2 25.3 202 -2.6 217 -2.8 0 0.0 0 0.0 8 28
214 B 281 GLU E H H > TS+ 0 0 -66.4 -53.0 179.7 47.0 112.0 17.2 0 0.0 218 -2.6 0 0.0 0 0.0 9 37
215 B 282 LYS K H H X TS+ 0 0 -56.0 -40.3 -179.7 47.1 116.5 26.6 211 -2.2 219 -1.7 0 0.0 0 0.0 12 43
216 B 283 SER S H H X TS+ 0 0 -66.0 -53.4 -179.6 46.1 113.5 16.9 212 -2.2 220 -1.9 0 0.0 0 0.0 10 33
217 B 284 LYS K H H X TS+ 0 0 -56.2 -56.7 -179.5 48.4 112.8 17.8 213 -2.8 221 -2.4 0 0.0 0 0.0 8 28
218 B 285 LEU L H H X TS+ 0 0 -52.9 -47.0 179.7 48.4 112.3 24.6 214 -2.6 222 -1.4 0 0.0 0 0.0 10 37
219 B 286 THR T H H X TS+ 0 0 -63.0 -32.1 179.0 52.2 111.4 31.6 215 -1.7 223 -1.7 0 0.0 0 0.0 12 45
220 B 287 GLU E H H X TS+ 0 0 -69.3 -38.7 179.9 52.4 107.0 29.0 216 -1.9 224 -1.9 0 0.0 0 0.0 8 36
221 B 288 GLN Q H H X TS+ 0 0 -69.7 -24.5 179.1 52.6 107.1 42.4 217 -2.4 225 -1.0 0 0.0 0 0.0 9 35
222 B 289 ALA A H H X TS+ 0 0 -76.8 -40.5 -179.4 48.4 109.8 27.0 218 -1.4 226 -2.0 0 0.0 0 0.0 14 49
223 B 290 MET M H H X TS+ 0 0 -68.7 -34.9 179.4 54.7 107.0 32.1 219 -1.7 227 -2.4 0 0.0 0 0.0 12 43
224 B 291 ASP D H H X TS+ 0 0 -66.7 -34.0 178.6 51.1 108.3 29.5 220 -1.9 228 -2.1 0 0.0 0 0.0 8 33
225 B 292 LEU L H H X TS+ 0 0 -66.7 -45.2 179.8 47.8 110.3 22.1 221 -1.0 229 -1.4 0 0.0 0 0.0 12 39
226 B 293 VAL V H H X TS+ 0 0 -63.4 -38.3 -179.7 49.9 112.3 27.1 222 -2.0 230 -1.4 0 0.0 0 0.0 14 45
227 B 294 THR T H H < TS+ 0 0 -67.0 -39.9 -179.7 50.5 109.8 26.9 223 -2.4 0 0.0 0 0.0 0 0.0 8 35
228 B 295 ALA A H H < TS+ 0 0 -69.8 -24.3 179.5 54.2 107.5 42.1 224 -2.1 0 0.0 0 0.0 0 0.0 8 37
229 B 296 ALA A H H < TS- 0 0 -76.9 -32.7 -179.8 -138.6 103.7 32.7 225 -1.4 0 0.0 0 0.0 0 0.0 11 44
230 B 297 GLU E h X > T - 0 0 68.9 79.4 -179.5 -155.4 11.5 5.8 226 -1.4 234 -2.2 0 0.0 233 -1.4 9 43
231 B 298 PRO P H H > 3 TS+ 0 0 -48.3 -42.1 -179.2 56.2 92.0 35.1 0 0.0 235 -1.1 0 0.0 0 0.0 10 51
232 B 299 GLU E H H 4 3 TS+ 0 0 -66.1 -29.6 -179.8 43.8 111.5 36.6 0 0.0 0 0.0 0 0.0 0 0.0 7 39
233 B 300 ILE I H H 4 X TS+ 0 0 -81.7 -51.2 -178.5 44.2 114.9 19.1 230 -1.4 236 -1.2 0 0.0 0 0.0 9 49
234 B 301 ILE I H H < 3 TS+ 0 0 -72.2 -8.1 -179.7 40.8 120.9 54.6 230 -2.2 0 0.0 0 0.0 0 0.0 13 61
235 B 302 ALA A T h < 3 TS+ 0 0 -118.9 7.3 -179.2 132.9 85.8 74.4 231 -1.1 0 0.0 0 0.0 0 0.0 12 54
236 B 303 SER S t < T - 0 0 -62.3 141.1 179.6 -164.4 40.9 107.3 233 -1.2 449 -2.1 0 0.0 0 0.0 11 39
237 B 304 LEU L S S S+ 0 0 -104.7 -5.5 178.5 62.3 71.6 61.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
238 B 305 VAL V S S S- 0 0 -113.8 166.0 -179.9 -69.0 102.6 135.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
239 B 306 PRO P - 0 0 -58.0 143.9 178.5 -160.9 41.9 101.3 0 0.0 0 0.0 0 0.0 0 0.0 9 29
240 B 307 VAL V E E BE - 446 0 -127.7 125.0 -179.8 -104.5 30.4 175.8 446 -2.7 446 -2.9 0 0.0 0 0.0 12 36
241 B 308 PRO P E E >BE > T - 445 0 -49.6 133.2 -180.0 -123.8 27.9 100.9 0 0.0 245 -2.3 0 0.0 244 -0.6 9 32
242 B 309 ALA A H H > 3 TS+ 0 0 -46.1 -51.9 179.9 52.5 110.8 25.9 444 -2.0 246 -2.9 0 0.0 0 0.0 13 42
243 B 310 PRO P H H 4 3 TS+ 0 0 -53.7 -40.8 -179.5 46.0 112.6 26.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
244 B 311 VAL V H H 4 < TS+ 0 0 -70.3 -38.2 -178.5 44.2 116.3 30.0 241 -0.6 0 0.0 0 0.0 0 0.0 7 37
245 B 312 PHE F H H < TS+ 0 0 -74.4 -43.1 -178.1 87.7 98.3 26.0 241 -2.3 0 0.0 0 0.0 0 0.0 9 49
246 B 313 ALA A h < T - 0 0 -59.6 158.6 177.9 -174.2 51.7 91.9 242 -2.9 0 0.0 0 0.0 0 0.0 13 50
247 B 314 ILE I - 0 0 -144.3 166.0 179.9 -55.0 50.6 155.1 0 0.0 0 0.0 0 0.0 0 0.0 7 42
248 B 315 PRO P - 0 0 -50.8 113.6 -179.3 -143.1 66.9 105.6 0 0.0 0 0.0 0 0.0 0 0.0 5 36
249 B 316 PRO P - 0 0 -76.3 169.6 178.8 -137.2 5.3 100.3 0 0.0 0 0.0 0 0.0 0 0.0 10 39
250 B 317 LYS K - 0 0 -125.7 156.9 -179.8 -97.9 27.1 151.3 0 0.0 0 0.0 0 0.0 0 0.0 7 38
251 B 318 PRO P - 0 0 -71.9 166.3 179.8 -152.0 32.9 101.9 0 0.0 0 0.0 0 0.0 0 0.0 9 39
252 B 319 ALA A E E CF - 428 0 -139.9 150.5 -180.0 -136.8 4.7 168.6 428 -1.7 428 -2.2 0 0.0 0 0.0 9 40
253 B 320 ASP D E E CF + 427 0 -111.9 145.7 178.8 163.3 25.7 149.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
254 B 321 TYR Y E E CF - 426 0 -149.8 163.0 175.2 -139.6 36.1 163.4 426 -2.1 426 -3.2 0 0.0 0 0.0 9 45
255 B 322 ASN N t > > T - 0 0 -126.3 85.2 -178.3 -157.6 20.8 146.1 0 0.0 258 -2.9 0 0.0 259 -0.7 11 42
256 B 323 VAL V T T 4 3 TS+ 0 0 -36.1 -30.2 -179.3 59.1 89.0 44.9 0 0.0 0 0.0 0 0.0 0 0.0 11 54
257 B 324 ARG R T T 4 3 TS+ 0 0 -74.2 -31.6 -177.8 43.7 107.3 34.4 422 -1.1 0 0.0 0 0.0 0 0.0 8 45
258 B 325 THR T T T 4 < TS+ 0 0 -96.5 3.9 178.0 105.8 89.3 67.6 255 -2.9 0 0.0 0 0.0 0 0.0 6 34
259 B 326 LEU L S t < TS- 0 0 -78.6 156.4 178.1 -121.3 74.5 118.7 255 -0.7 261 -0.6 0 0.0 0 0.0 10 40
260 B 327 LYS K t > > T - 0 0 -98.0 124.6 -178.7 -144.8 12.6 153.6 0 0.0 264 -2.6 0 0.0 263 -2.1 6 34
261 B 328 ILE I T T 4 3 TS+ 0 0 -65.2 -14.9 178.1 59.4 100.9 48.8 259 -0.6 0 0.0 0 0.0 0 0.0 10 36
262 B 329 ASP D T T 4 3 TS+ 0 0 -91.0 4.7 179.3 37.5 115.0 67.4 0 0.0 0 0.0 0 0.0 0 0.0 5 30
263 B 330 GLU E T T 4 < TS+ 0 0 -118.9 -41.3 178.5 55.5 111.6 48.8 260 -2.1 265 -1.0 0 0.0 0 0.0 9 32
264 B 331 ALA A t < > T - 0 0 -99.7 95.2 -178.0 -169.9 67.0 144.6 260 -2.6 267 -1.4 0 0.0 0 0.0 13 45
265 B 332 THR T T T 3 TS+ 0 0 -66.0 0.1 180.0 70.9 76.2 62.4 263 -1.0 0 0.0 0 0.0 0 0.0 8 42
266 B 333 TRP W T e 3 TS+ 0 0 -102.7 16.4 179.3 84.7 83.2 78.6 0 0.0 302 -2.9 0 0.0 0 0.0 11 55
267 B 334 LEU L E E DG < T - 301 0 -120.9 146.9 178.8 -169.7 52.6 156.4 264 -1.4 0 0.0 0 0.0 0 0.0 10 51
268 B 335 ARG R E E DG - 300 0 -128.4 154.2 -177.8 -165.5 9.3 156.8 300 -2.0 300 -2.0 0 0.0 0 0.0 11 52
269 B 336 MET M E E DG - 299 0 -149.4 141.9 178.3 -124.1 25.0 176.6 0 0.0 0 0.0 0 0.0 0 0.0 11 54
270 B 337 ILE I e - 0 0 -82.6 119.2 -179.7 -112.8 46.5 137.9 298 -2.1 297 -3.0 0 0.0 0 0.0 14 47
271 B 338 PRO P - 0 0 -55.5 134.5 178.5 -134.9 27.4 102.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
272 B 339 LYS K S S S+ 0 0 -81.4 175.5 179.3 49.4 82.3 104.5 0 0.0 0 0.0 0 0.0 0 0.0 9 27
273 B 340 THR T S S S+ 0 0 70.4 11.2 179.7 94.9 86.3 51.6 0 0.0 0 0.0 0 0.0 0 0.0 6 19
274 B 341 MET M S S S- 0 0 -110.8 1.4 -178.2 -123.5 93.1 68.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
275 B 342 GLY G + 0 0 62.1 21.3 179.5 167.8 51.4 41.5 0 0.0 0 0.0 0 0.0 0 0.0 7 26
276 B 343 THR T e + 0 0 -71.6 131.6 -178.3 142.2 7.1 122.3 0 0.0 296 -2.0 0 0.0 0 0.0 11 33
277 B 344 LEU L E E DH + 295 0 -172.1 123.2 178.8 161.0 13.6 142.4 0 0.0 0 0.0 0 0.0 0 0.0 10 43
278 B 345 PHE F E E DH - 294 0 -155.0 133.6 -179.5 -134.8 28.7 163.6 294 -2.5 294 -2.1 0 0.0 0 0.0 10 43
279 B 346 GLN Q E E DH - 293 0 -87.3 138.7 179.0 -179.7 29.2 132.1 0 0.0 0 0.0 0 0.0 0 0.0 11 42
280 B 347 ILE I E E DH - 292 0 -131.8 175.0 -179.8 -136.8 19.5 143.1 292 -2.6 292 -1.6 0 0.0 0 0.0 9 47
281 B 348 GLN Q E E DH + 291 0 -137.4 133.3 -179.9 171.3 21.6 178.8 0 0.0 0 0.0 0 0.0 0 0.0 8 44
282 B 349 VAL V E E DH - 290 0 -141.3 150.0 -179.9 -136.5 20.7 169.4 290 -2.0 290 -2.9 0 0.0 0 0.0 10 47
283 B 350 THR T E E DHi - 289 356 -105.8 159.3 178.2 -131.5 13.7 134.3 355 -0.5 357 -2.0 0 0.0 0 0.0 12 35
284 B 351 ASP D E E D i> T - 0 357 -99.1 173.4 -177.6 -83.5 45.6 121.3 288 -1.9 287 -2.3 0 0.0 0 0.0 12 34
285 B 352 ASN N T e 3 TS+ 0 0 -61.2 3.3 178.0 59.0 127.9 64.3 357 -0.7 0 0.0 0 0.0 0 0.0 8 22
286 B 353 THR T T T 3 TS- 0 0 -114.3 15.8 178.8 -105.9 119.4 82.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
287 B 354 GLY G S t < TS+ 0 0 78.9 -4.9 -179.6 145.4 71.5 68.1 284 -2.3 0 0.0 0 0.0 0 0.0 6 19
288 B 355 THR T e - 0 0 -71.2 132.6 -178.3 -129.4 45.9 119.2 0 0.0 284 -1.9 0 0.0 0 0.0 7 26
289 B 356 ASN N E E DH - 283 0 -85.3 139.3 179.0 -166.3 23.8 127.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
290 B 357 TRP W E E DH - 282 0 -127.5 149.6 179.7 -143.6 9.2 160.8 282 -2.9 282 -2.0 0 0.0 0 0.0 13 42
291 B 358 HIS H E E DHC + 281 407 -113.8 139.8 176.5 142.0 30.5 153.6 407 -2.5 407 -1.6 0 0.0 0 0.0 14 46
292 B 359 PHE F E E DH - 280 0 -167.7 158.8 -178.3 -120.8 35.5 166.5 280 -1.6 280 -2.6 0 0.0 0 0.0 13 58
293 B 360 ASN N E E DH - 279 0 -114.5 145.8 176.9 -160.3 8.5 149.6 0 0.0 0 0.0 0 0.0 0 0.0 11 57
294 B 361 LEU L E E DH + 278 0 -116.1 137.4 -179.2 145.3 32.1 160.9 278 -2.1 278 -2.5 0 0.0 0 0.0 11 64
295 B 362 ARG R E E DH > T - 277 0 -157.2 -174.4 179.9 -36.5 52.3 154.7 0 0.0 298 -2.1 0 0.0 0 0.0 13 47
296 B 363 GLY G T e 3 TS+ 0 0 -58.4 120.7 179.9 23.5 125.4 111.3 276 -2.0 0 0.0 0 0.0 0 0.0 13 39
297 B 364 GLY G T T 3 TS+ 0 0 113.2 -26.5 -179.4 141.9 82.2 88.9 270 -3.0 0 0.0 0 0.0 0 0.0 10 43
298 B 365 THR T e < T - 0 0 -52.3 127.8 179.7 -159.3 34.1 104.0 295 -2.1 270 -2.1 0 0.0 0 0.0 10 61
299 B 366 ARG R E E DG - 269 0 -114.3 153.0 178.6 -175.4 11.3 145.9 0 0.0 0 0.0 0 0.0 0 0.0 14 59
300 B 367 VAL V E E DG - 268 0 -140.8 160.4 179.2 -114.8 27.6 160.7 268 -2.0 268 -2.0 0 0.0 0 0.0 11 65
301 B 368 VAL V E E DGJ - 267 401 -98.0 128.4 178.8 -131.6 25.5 149.3 401 -2.1 401 -1.5 0 0.0 303 -1.4 10 67
302 B 369 ASN N E E D J - 0 400 -82.3 94.7 -177.6 -171.7 25.0 132.2 266 -2.9 0 0.0 0 0.0 0 0.0 13 62
303 B 370 LEU L e > T + 0 0 -57.1 -34.5 -178.5 100.8 51.9 39.5 399 -1.8 306 -1.6 301 -1.4 0 0.0 11 62
304 B 371 ASP D T T 3 TS+ 0 0 -60.6 128.7 177.6 9.0 91.4 109.9 399 -0.8 0 0.0 0 0.0 0 0.0 9 52
305 B 372 GLN Q T T 3 TS+ 0 0 82.9 9.4 179.4 105.0 93.7 54.9 0 0.0 442 -1.7 0 0.0 0 0.0 8 49
306 B 373 ILE I S t < TS- 0 0 -98.6 -4.1 -179.6 -132.2 76.7 57.0 303 -1.6 0 0.0 0 0.0 0 0.0 13 54
307 B 374 ALA A - 0 0 75.0 167.2 179.8 -23.5 55.4 85.5 0 0.0 0 0.0 0 0.0 0 0.0 16 53
308 B 375 PRO P S e S+ 0 0 -46.5 128.1 -177.7 170.8 80.9 102.1 0 0.0 431 -1.8 0 0.0 0 0.0 11 51
309 B 376 MET M E E CKL - 385 430 -153.4 136.0 178.6 -148.6 31.6 167.5 385 -1.9 385 -3.9 0 0.0 0 0.0 13 53
310 B 377 ARG R E E CKL - 384 429 -102.7 132.6 179.8 -161.4 17.3 149.2 429 -3.2 429 -2.2 0 0.0 0 0.0 12 48
311 B 378 PHE F E E CKL - 383 428 -114.6 138.6 177.3 -178.3 9.3 158.0 383 -3.1 383 -2.0 0 0.0 0 0.0 13 54
312 B 379 VAL V E E CKL - 382 427 -137.7 120.9 -177.5 -155.8 12.0 166.2 427 -1.4 427 -2.5 0 0.0 0 0.0 11 48
313 B 380 LEU L E E CKL - 381 426 -105.1 130.9 -179.2 -167.6 6.0 147.6 381 -2.7 381 -1.4 0 0.0 315 -0.6 12 54
314 B 381 ASP D E E C L + 0 425 -119.3 103.4 179.3 174.7 12.7 153.8 425 -2.9 425 -2.3 0 0.0 0 0.0 11 50
315 B 382 LEU L t > T + 0 0 -87.0 11.5 -179.5 138.9 36.2 74.5 313 -0.6 318 -1.3 0 0.0 0 0.0 13 52
316 B 383 GLY G T T 3 T + 0 0 -61.1 133.7 178.7 14.5 67.9 109.7 0 0.0 0 0.0 0 0.0 0 0.0 11 43
317 B 384 GLY G T T 3 TS+ 0 0 93.5 -25.6 -179.3 117.7 98.3 86.6 376 -2.6 0 0.0 0 0.0 0 0.0 9 35
318 B 385 LYS K t < T - 0 0 -73.3 166.1 -178.5 -153.9 49.8 102.3 315 -1.3 376 -2.6 0 0.0 0 0.0 10 47
319 B 386 SER S + 0 0 -103.8 -73.3 -179.0 173.2 18.9 31.1 0 0.0 0 0.0 0 0.0 0 0.0 9 46
320 B 387 TYR Y + 0 0 65.8 13.0 179.3 149.9 33.8 53.1 0 0.0 0 0.0 0 0.0 0 0.0 9 50
321 B 388 LYS K + 0 0 -79.7 124.8 179.3 173.8 19.3 130.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
322 B 389 GLU E B B D > T - 325 0 -128.5 166.0 -178.7 -92.2 48.4 148.6 325 -2.6 325 -2.1 0 0.0 0 0.0 8 31
323 B 390 THR T T T 3 TS+ 0 0 -46.5 -39.4 179.7 19.9 126.6 34.4 0 0.0 0 0.0 0 0.0 0 0.0 5 19
324 B 391 SER S T T 3 TS+ 0 0 -126.9 39.7 178.5 70.9 117.3 96.7 415 -0.5 0 0.0 0 0.0 0 0.0 6 22
325 B 392 TRP W B B D < T - 322 0 -156.4 121.7 178.3 -172.0 49.8 153.3 322 -2.1 322 -2.6 0 0.0 0 0.0 9 41
326 B 393 ASP D - 0 0 -117.0 117.8 -179.8 -152.3 16.0 164.7 0 0.0 0 0.0 0 0.0 0 0.0 9 39
327 B 394 PRO P t > T + 0 0 -57.7 -23.3 -178.5 110.9 65.2 43.5 0 0.0 330 -2.1 0 0.0 0 0.0 13 50
328 B 395 ASN N T T 3 TS+ 0 0 -61.3 112.1 -179.6 2.8 92.9 112.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
329 B 396 GLY G T T 3 TS+ 0 0 94.8 -9.2 179.5 122.5 104.5 72.3 363 -2.0 0 0.0 0 0.0 0 0.0 9 35
330 B 397 LYS K e < T - 0 0 -78.0 173.6 -178.8 -124.7 56.3 103.0 327 -2.1 363 -3.2 0 0.0 0 0.0 12 48
331 B 398 LYS K E E DMN - 406 362 -128.3 143.0 178.8 -166.7 17.5 162.8 406 -0.7 406 -2.7 0 0.0 0 0.0 12 55
332 B 399 VAL V E E DMN + 405 361 -121.0 153.6 -179.6 177.9 15.2 153.5 361 -2.2 361 -2.1 0 0.0 0 0.0 13 69
333 B 400 GLY G E E DMN - 404 360 -152.1 168.1 178.6 -113.6 32.0 165.0 404 -2.2 404 -1.3 0 0.0 335 -0.5 14 62
334 B 401 PHE F E E DMN - 403 359 -104.7 125.7 178.6 -168.0 31.8 157.4 359 -2.3 358 -2.0 0 0.0 359 -0.9 15 64
335 B 402 ILE I E E DMN - 402 357 -117.5 133.3 178.9 -155.1 7.4 163.7 402 -2.0 402 -2.3 333 -0.5 337 -0.6 12 63
336 B 403 VAL V E E DMN - 401 356 -111.3 116.3 179.7 -162.3 12.9 159.2 356 -2.3 356 -1.2 0 0.0 0 0.0 12 62
337 B 404 PHE F E E DMN - 400 355 -97.1 154.5 177.7 -165.6 12.2 130.3 400 -2.1 400 -1.7 335 -0.6 0 0.0 13 58
338 B 405 GLN Q E E DMe + 399 353 -138.2 98.7 -178.3 145.8 31.0 150.8 354 -1.2 354 -2.8 352 -0.7 0 0.0 12 45
339 B 406 SER S E E DM - 398 0 -137.5 155.7 179.0 -142.5 50.4 161.8 398 -1.5 398 -2.8 0 0.0 0 0.0 12 41
340 B 407 LYS K S S S+ 0 0 -88.5 -16.8 -179.8 87.5 83.4 50.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
341 B 408 ILE I S S S- 0 0 -87.5 130.6 179.8 -110.2 89.6 134.5 0 0.0 0 0.0 0 0.0 0 0.0 10 31
342 B 409 PRO P g > T - 0 0 -57.9 136.9 -178.9 -126.0 24.5 107.9 0 0.0 345 -1.3 0 0.0 0 0.0 8 38
343 B 410 PHE F G G > TS+ 0 0 -54.0 -41.7 -178.4 63.7 105.4 30.9 0 0.0 346 -2.1 0 0.0 0 0.0 8 51
344 B 411 GLU E G G 3 TS+ 0 0 -55.4 -29.4 -178.5 54.5 101.1 35.0 0 0.0 0 0.0 0 0.0 0 0.0 8 45
345 B 412 LEU L G G < TS+ 0 0 -84.1 -4.8 -178.9 120.7 80.4 59.9 342 -1.3 0 0.0 0 0.0 0 0.0 7 35
346 B 413 TRP W g < T + 0 0 -65.7 139.5 179.0 136.5 12.5 110.3 343 -2.1 0 0.0 0 0.0 0 0.0 11 44
347 B 414 THR T + 0 0 -154.6 -16.3 179.9 51.8 62.4 71.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
348 B 415 ALA A S g > TS- 0 0 -131.9 150.5 -179.2 -119.4 79.9 164.6 0 0.0 351 -1.8 0 0.0 0 0.0 8 31
349 B 416 ALA A G G > TS+ 0 0 -57.8 -23.4 -178.0 73.5 105.8 42.2 0 0.0 352 -1.2 0 0.0 0 0.0 9 36
350 B 417 SER S G G 3 TS+ 0 0 -67.5 -17.2 -178.1 58.3 89.1 48.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
351 B 418 GLN Q G G < TS+ 0 0 -92.6 -5.1 -176.8 88.5 78.4 58.4 348 -1.8 0 0.0 0 0.0 0 0.0 9 35
352 B 419 ILE I g < T - 0 0 -75.2 -1.1 179.6 -165.2 68.8 60.7 349 -1.2 338 -0.7 0 0.0 0 0.0 12 48
353 B 420 GLY G B B e - 338 0 56.3 -135.7 -179.8 -0.2 57.3 105.2 0 0.0 355 -0.6 0 0.0 0 0.0 9 35
354 B 421 GLN Q S e S+ 0 0 -93.1 120.0 -178.9 178.5 74.5 142.6 338 -2.8 338 -1.2 0 0.0 0 0.0 7 40
355 B 422 ALA A E E D N + 0 337 -127.6 146.0 179.6 178.8 11.6 159.9 353 -0.6 283 -0.5 0 0.0 0 0.0 11 49
356 B 423 THR T E E DiN - 283 336 -143.4 131.9 176.9 -130.3 30.9 174.0 336 -1.2 336 -2.3 0 0.0 358 -1.0 11 42
357 B 424 VAL V E E DiN - 284 335 -79.9 108.7 -178.1 -174.6 29.1 139.0 283 -2.0 285 -0.7 0 0.0 0 0.0 14 48
358 B 425 VAL V E E D * - 0 0 -85.0 -11.2 179.8 -9.3 59.4 54.9 334 -2.0 0 0.0 356 -1.0 0 0.0 11 49
359 B 426 ASN N E E D N + 0 334 -178.3 153.8 -179.6 179.9 60.2 156.4 334 -0.9 334 -2.3 0 0.0 0 0.0 11 45
360 B 427 TYR Y E E D N - 0 333 -162.3 155.9 179.0 -162.3 7.4 169.6 0 0.0 0 0.0 0 0.0 0 0.0 10 51
361 B 428 VAL V E E D N - 0 332 -139.4 158.3 178.2 -115.4 25.9 161.1 332 -2.1 332 -2.2 0 0.0 0 0.0 9 39
362 B 429 GLN Q E E D N - 0 331 -97.9 135.3 -178.0 -131.2 34.1 145.5 0 0.0 0 0.0 0 0.0 0 0.0 8 38
363 B 430 LEU L e - 0 0 -88.1 152.8 177.2 -156.5 11.9 121.7 330 -3.2 329 -2.0 0 0.0 0 0.0 13 42
364 B 431 TYR Y e - 0 0 -126.4 128.1 179.8 -172.9 15.4 177.0 0 0.0 377 -4.0 0 0.0 0 0.0 10 34
365 B 432 ALA A E E EO + 376 0 -121.4 159.5 -179.1 164.2 10.6 147.7 0 0.0 0 0.0 0 0.0 0 0.0 11 35
366 B 433 GLU E E E EO - 375 0 -148.3 -160.5 178.1 -62.8 48.1 131.2 375 -1.6 375 -1.7 0 0.0 0 0.0 9 30
367 B 434 ASP D E E EO - 374 0 -103.3 138.2 -179.1 -149.3 48.8 149.6 0 0.0 0 0.0 0 0.0 0 0.0 10 26
368 B 435 SER S e - 0 0 -97.0 176.4 178.5 -99.9 33.0 112.8 373 -1.7 0 0.0 0 0.0 0 0.0 9 24
369 B 436 SER S S S S+ 0 0 -63.1 -31.2 178.2 81.0 108.8 35.2 0 0.0 371 -0.6 0 0.0 0 0.0 5 16
370 B 437 PHE F S t > TS- 0 0 -77.7 119.6 -180.0 -120.6 93.3 132.0 0 0.0 373 -1.4 0 0.0 0 0.0 6 16
371 B 438 THR T T T 3 TS+ 0 0 -59.5 155.6 178.6 18.3 91.8 99.6 369 -0.6 0 0.0 0 0.0 0 0.0 6 17
372 B 439 ALA A T T 3 TS+ 0 0 64.6 -2.5 180.0 108.5 105.8 64.6 0 0.0 0 0.0 0 0.0 0 0.0 5 22
373 B 440 GLN Q e < T - 0 0 -107.8 147.8 177.7 -144.3 60.7 143.4 370 -1.4 368 -1.7 0 0.0 0 0.0 10 26
374 B 441 SER S E E EO - 367 0 -105.7 147.0 -178.9 -143.8 13.6 146.5 0 0.0 376 -0.5 0 0.0 0 0.0 12 31
375 B 442 ILE I E E EO - 366 0 -116.2 124.7 -179.2 -136.2 11.5 162.9 366 -1.7 366 -1.6 0 0.0 0 0.0 12 35
376 B 443 ILE I E E EO - 365 0 -81.4 137.3 179.5 -114.4 23.7 127.0 318 -2.6 317 -2.6 374 -0.5 0 0.0 15 44
377 B 444 ALA A e - 0 0 -64.7 157.6 179.7 -78.5 46.9 103.4 364 -4.0 0 0.0 0 0.0 0 0.0 11 36
378 B 445 THR T - 0 0 -60.8 135.4 178.9 -167.9 52.1 107.6 0 0.0 0 0.0 0 0.0 0 0.0 8 38
379 B 446 THR T - 0 0 -121.6 165.0 179.0 -164.1 23.5 142.0 0 0.0 0 0.0 0 0.0 0 0.0 10 43
380 B 447 SER S + 0 0 -142.9 45.9 179.4 174.5 19.9 103.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
381 B 448 LEU L E E CK - 313 0 -58.4 116.4 -177.9 -163.7 19.4 114.2 313 -1.4 313 -2.7 0 0.0 0 0.0 13 47
382 B 449 ALA A E E CK + 312 0 -114.8 154.9 178.4 173.3 23.6 141.6 0 0.0 0 0.0 0 0.0 0 0.0 10 42
383 B 450 TYR Y E E CK - 311 0 -155.0 126.5 179.4 -149.5 18.2 158.3 311 -2.0 311 -3.1 0 0.0 385 -0.6 10 49
384 B 451 ASN N E E CK - 310 0 -102.6 118.4 178.8 -149.9 10.4 152.5 0 0.0 386 -1.0 0 0.0 0 0.0 9 44
385 B 452 TYR Y E E CK + 309 0 -89.1 104.0 178.8 175.5 20.4 140.6 309 -3.9 309 -1.9 383 -0.6 0 0.0 10 51
386 B 453 GLU E h > > T - 0 0 -111.7 101.2 -179.8 -159.7 18.3 154.0 384 -1.0 389 -1.7 0 0.0 390 -1.3 10 34
387 B 454 PRO P H H > 3 TS+ 0 0 -45.3 -43.0 -179.4 57.6 90.8 33.3 0 0.0 391 -2.3 0 0.0 0 0.0 10 37
388 B 455 GLU E H H 4 3 TS+ 0 0 -63.0 -29.8 179.4 54.2 102.9 37.8 0 0.0 0 0.0 0 0.0 0 0.0 6 22
389 B 456 GLN Q H H 4 < TS+ 0 0 -72.8 -38.2 179.4 45.4 110.1 28.5 386 -1.7 0 0.0 0 0.0 0 0.0 5 24
390 B 457 LEU L H H < TS- 0 0 -69.9 -41.2 179.1 -159.6 91.6 25.6 386 -1.3 0 0.0 0 0.0 0 0.0 6 34
391 B 458 ASN N h < T - 0 0 59.2 62.5 179.6 -147.8 7.4 12.8 387 -2.3 0 0.0 0 0.0 0 0.0 6 25
392 B 459 LYS K + 0 0 -62.0 129.8 180.0 154.5 34.6 113.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
393 B 460 THR T + 0 0 -119.4 -60.9 179.4 69.5 52.0 48.4 0 0.0 0 0.0 0 0.0 0 0.0 5 18
394 B 461 ASP D S t > TS- 0 0 -68.5 114.7 -180.0 -147.4 72.1 122.3 0 0.0 397 -2.3 0 0.0 0 0.0 5 19
395 B 462 PRO P T T 3 TS+ 0 0 -56.6 -22.3 179.8 61.8 97.0 45.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
396 B 463 GLU E T T 3 TS+ 0 0 -87.3 5.8 -179.9 113.2 81.6 69.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
397 B 464 MET M t < T - 0 0 -85.0 132.5 179.2 -160.0 51.3 131.7 394 -2.3 0 0.0 0 0.0 0 0.0 11 29
398 B 465 ASN N E E D M - 0 339 -110.6 141.6 179.5 -150.6 4.9 151.1 339 -2.8 339 -1.5 0 0.0 400 -0.6 13 43
399 B 466 TYR Y E E D M - 0 338 -118.4 116.7 -177.3 -177.7 19.7 162.6 0 0.0 303 -1.8 0 0.0 304 -0.8 11 56
400 B 467 TYR Y E E DJM - 302 337 -117.2 148.7 178.3 -154.9 16.9 148.4 337 -1.7 337 -2.1 398 -0.6 0 0.0 12 60
401 B 468 LEU L E E DJM - 301 336 -122.1 129.6 -179.6 -178.7 17.3 168.9 301 -1.5 301 -2.1 0 0.0 0 0.0 12 68
402 B 469 LEU L E E D M - 0 335 -128.0 154.4 178.7 -160.0 17.0 156.2 335 -2.3 335 -2.0 0 0.0 0 0.0 11 73
403 B 470 ALA A E E D M + 0 334 -135.8 107.5 -179.9 131.5 36.0 157.9 0 0.0 421 -3.0 0 0.0 0 0.0 12 71
404 B 471 THR T E E D M - 0 333 -141.8 -176.4 176.6 -73.3 60.9 143.6 333 -1.3 333 -2.2 0 0.0 0 0.0 12 75
405 B 472 PHE F E E D M - 0 332 -82.4 136.0 176.6 -169.4 46.6 132.7 0 0.0 0 0.0 0 0.0 0 0.0 11 71
406 B 473 ILE I E E D M - 0 331 -124.8 150.1 -179.2 -180.0 6.8 158.9 331 -2.7 331 -0.7 0 0.0 0 0.0 12 57
407 B 474 ASP D B B C - 291 0 -150.8 156.1 -179.8 -126.5 40.8 172.6 291 -1.6 291 -2.5 0 0.0 0 0.0 11 44
408 B 475 SER S S S S+ 0 0 -76.0 -14.9 178.9 57.1 102.7 48.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
409 B 476 ALA A S S S- 0 0 -117.4 138.6 178.7 -89.5 108.1 160.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
410 B 477 ALA A - 0 0 -43.5 132.9 -179.8 -122.4 44.1 96.5 0 0.0 412 -0.8 0 0.0 0 0.0 8 32
411 B 478 ILE I - 0 0 -88.6 110.0 178.8 -127.8 21.2 139.0 0 0.0 0 0.0 0 0.0 0 0.0 12 39
412 B 479 THR T t > > T - 0 0 -57.7 114.9 -179.5 -140.7 14.6 113.8 410 -0.8 415 -2.1 0 0.0 416 -1.7 6 33
413 B 480 PRO P T T 4 3 TS+ 0 0 -49.8 -32.3 -179.3 51.6 99.0 42.6 0 0.0 0 0.0 0 0.0 0 0.0 7 35
414 B 481 THR T T T 4 3 TS+ 0 0 -86.5 -9.6 179.2 50.9 109.2 53.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
415 B 482 ASN N T T 4 < TS+ 0 0 -87.2 -58.1 179.6 30.1 119.0 22.1 412 -2.1 417 -0.8 0 0.0 324 -0.5 10 31
416 B 483 MET M t < T + 0 0 -106.1 101.0 -177.1 166.0 69.3 151.5 412 -1.7 0 0.0 0 0.0 0 0.0 10 41
417 B 484 THR T + 0 0 -94.5 -10.7 179.7 118.1 31.4 56.6 415 -0.8 0 0.0 0 0.0 0 0.0 6 40
418 B 485 GLN Q - 0 0 -57.1 147.3 -179.8 -137.1 62.6 104.6 0 0.0 0 0.0 0 0.0 0 0.0 6 52
419 B 486 PRO P S S S- 0 0 -76.7 -27.6 -179.3 -33.6 76.0 41.4 0 0.0 0 0.0 0 0.0 0 0.0 12 58
420 B 487 ASP D - 0 0 -174.3 -178.4 179.1 -101.0 59.8 158.7 0 0.0 0 0.0 0 0.0 0 0.0 13 65
421 B 488 VAL V S S S+ 0 0 -113.9 36.3 179.8 120.0 78.0 100.9 403 -3.0 0 0.0 0 0.0 0 0.0 11 66
422 B 489 TRP W + 0 0 -77.6 -10.5 176.4 95.2 43.9 54.9 0 0.0 424 -2.4 0 0.0 257 -1.1 11 63
423 B 490 ASP D S S S+ 0 0 -79.4 80.3 -178.6 90.1 74.0 126.9 0 0.0 0 0.0 0 0.0 0 0.0 11 48
424 B 491 ALA A S S S- 0 0 -159.2 179.1 178.9 -75.4 91.3 155.3 422 -2.4 426 -0.7 0 0.0 0 0.0 13 49
425 B 492 LEU L E E C L - 0 314 -93.2 117.6 179.5 -167.8 45.1 143.8 314 -2.3 314 -2.9 0 0.0 0 0.0 13 39
426 B 493 LEU L E E CFL - 254 313 -107.9 130.8 178.8 -163.8 3.8 155.1 254 -3.2 254 -2.1 424 -0.7 428 -0.5 12 55
427 B 494 THR T E E CFL - 253 312 -116.2 120.8 179.5 -163.1 4.7 163.6 312 -2.5 312 -1.4 0 0.0 0 0.0 11 45
428 B 495 MET M E E CFL - 252 311 -103.9 139.7 179.6 -176.7 6.9 146.8 252 -2.2 252 -1.7 426 -0.5 0 0.0 13 51
429 B 496 SER S E E C L - 0 310 -136.9 121.5 180.0 -121.0 27.9 169.1 310 -2.2 310 -3.2 0 0.0 0 0.0 11 44
430 B 497 PRO P E E C L - 0 309 -60.8 141.5 178.3 -155.2 11.1 108.4 0 0.0 0 0.0 0 0.0 0 0.0 14 48
431 B 498 LEU L S e S+ 0 0 -108.8 36.0 180.0 40.5 78.4 98.3 308 -1.8 0 0.0 0 0.0 0 0.0 10 40
432 B 499 SER S - 0 0 -175.6 145.1 179.6 -160.3 54.8 152.1 0 0.0 0 0.0 0 0.0 0 0.0 8 40
433 B 500 ALA A S S S+ 0 0 -121.0 23.3 -179.8 70.2 86.6 88.2 0 0.0 0 0.0 0 0.0 0 0.0 12 39
434 B 501 GLY G S S S+ 0 0 -119.3 0.0 178.8 70.5 86.7 69.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
435 B 502 GLU E - 0 0 -121.5 143.2 -179.0 -168.6 59.9 161.5 0 0.0 0 0.0 0 0.0 0 0.0 13 48
436 B 503 VAL V E E FP - 443 0 -130.6 145.5 177.9 -159.7 2.8 164.5 443 -0.7 443 -2.2 0 0.0 0 0.0 16 51
437 B 504 THR T E E FPf - 442 467 -120.7 162.8 178.6 -147.3 8.8 144.8 466 -2.6 468 -3.2 0 0.0 0 0.0 14 60
438 B 505 VAL V E E FP > TS- 441 0 -134.6 109.6 -179.6 -23.7 80.1 159.7 441 -2.5 441 -1.0 0 0.0 0 0.0 11 55
439 B 506 LYS K T T 3 TS- 0 0 56.1 48.3 177.6 -34.2 133.5 25.2 0 0.0 0 0.0 0 0.0 0 0.0 12 54
440 B 507 GLY G T T 3 TS+ 0 0 101.6 -22.3 -178.7 80.0 120.0 81.8 0 0.0 0 0.0 0 0.0 0 0.0 13 50
441 B 508 ALA A E E FP < TS- 438 0 -129.3 148.6 -179.4 -104.3 76.5 161.5 438 -1.0 438 -2.5 0 0.0 0 0.0 10 41
442 B 509 VAL V E E FP - 437 0 -64.2 147.6 178.3 -169.4 30.2 103.3 305 -1.7 0 0.0 0 0.0 0 0.0 11 45
443 B 510 VAL V E E FP - 436 0 -137.4 141.1 -178.5 -141.3 23.2 171.2 436 -2.2 436 -0.7 0 0.0 0 0.0 10 38
444 B 511 SER S S e S+ 0 0 -79.4 -15.2 179.8 12.3 86.1 48.5 0 0.0 242 -2.0 0 0.0 0 0.0 8 32
445 B 512 GLU E E E BE - 241 0 -158.3 156.7 -178.1 -139.6 67.4 172.5 0 0.0 0 0.0 0 0.0 0 0.0 9 38
446 B 513 VAL V E E BE - 240 0 -123.3 151.4 177.0 -149.3 8.9 152.7 240 -2.9 240 -2.7 0 0.0 0 0.0 11 45
447 B 514 VAL V h > > T - 0 0 -117.0 88.8 -179.4 -162.7 18.2 148.2 0 0.0 450 -1.9 0 0.0 451 -0.6 11 44
448 B 515 PRO P H H > > TS+ 0 0 -37.8 -51.5 -178.7 56.6 84.1 34.6 0 0.0 451 -1.7 0 0.0 452 -0.7 15 59
449 B 516 ALA A H H 4 3 TS+ 0 0 -58.6 -29.4 -179.8 56.5 101.3 40.6 236 -2.1 0 0.0 0 0.0 0 0.0 11 50
450 B 517 GLU E H H 4 < TS+ 0 0 -80.5 -8.9 178.5 66.0 96.0 54.8 447 -1.9 0 0.0 0 0.0 0 0.0 9 45
451 B 518 LEU L H H < X TS+ 0 0 -77.7 -30.9 -179.6 109.6 77.0 35.9 448 -1.7 454 -1.9 447 -0.6 0 0.0 11 58
452 B 519 ILE I T h < 3 TS- 0 0 -49.9 125.9 178.9 -10.7 95.7 101.3 448 -0.7 0 0.0 0 0.0 0 0.0 16 55
453 B 520 GLY G T T 3 TS+ 0 0 55.2 27.1 -179.5 111.4 102.7 47.3 543 -2.3 0 0.0 0 0.0 0 0.0 16 46
454 B 521 SER S t < T + 0 0 -111.4 7.1 179.2 81.5 54.6 70.4 451 -1.9 0 0.0 0 0.0 0 0.0 10 42
455 B 522 TYR Y B B g - 545 0 -116.1 133.8 177.6 -150.3 61.6 159.0 544 -1.8 546 -3.0 0 0.0 0 0.0 12 45
456 B 523 THR T h > T - 0 0 -90.4 164.7 179.4 -107.7 35.6 123.4 0 0.0 460 -2.5 0 0.0 0 0.0 8 35
457 B 524 PRO P H H > TS+ 0 0 -58.3 -39.9 179.0 52.0 122.8 24.8 0 0.0 461 -2.3 0 0.0 0 0.0 8 34
458 B 525 GLU E H H > TS+ 0 0 -59.1 -51.1 -179.5 46.6 110.5 20.5 0 0.0 462 -1.6 0 0.0 0 0.0 8 36
459 B 526 SER S H H > TS+ 0 0 -61.6 -42.0 179.7 51.0 111.0 28.9 0 0.0 463 -1.0 0 0.0 0 0.0 11 43
460 B 527 LEU L H H < > TS+ 0 0 -61.8 -50.1 -179.1 50.8 109.5 14.4 456 -2.5 463 -1.2 0 0.0 0 0.0 11 50
461 B 528 ASN N H H < 3 TS+ 0 0 -56.8 -32.3 -178.9 46.1 113.3 34.9 457 -2.3 0 0.0 0 0.0 0 0.0 6 46
462 B 529 ALA A H H < 3 TS+ 0 0 -88.6 -10.9 -179.4 110.8 88.3 54.3 458 -1.6 0 0.0 0 0.0 0 0.0 11 47
463 B 530 SER S S h < < TS- 0 0 -62.6 157.4 179.5 -102.8 75.3 101.7 460 -1.2 0 0.0 459 -1.0 0 0.0 12 60
464 B 531 LEU L t > T - 0 0 -77.8 158.8 -179.8 -103.0 33.6 112.3 0 0.0 467 -2.0 0 0.0 0 0.0 11 64
465 B 532 PRO P T T 3 TS+ 0 0 -54.5 -22.6 -179.0 53.3 122.6 43.9 0 0.0 0 0.0 0 0.0 0 0.0 12 54
466 B 533 ASN N T T 3 TS+ 0 0 -104.3 29.2 -179.4 139.2 79.3 90.0 0 0.0 437 -2.6 0 0.0 0 0.0 13 59
467 B 534 ASP D B h > f < T - 437 0 -76.1 140.5 -179.4 -129.1 58.9 120.4 464 -2.0 471 -1.6 0 0.0 0 0.0 13 68
468 B 535 ALA A H H > TS+ 0 0 -56.4 -36.4 -179.7 58.2 107.2 32.9 437 -3.2 472 -3.1 0 0.0 0 0.0 12 66
469 B 536 ALA A H H > TS+ 0 0 -58.8 -54.5 180.0 50.3 104.0 14.4 0 0.0 473 -2.9 0 0.0 0 0.0 10 63
470 B 537 ARG R H H > TS+ 0 0 -50.6 -41.8 -179.4 46.0 114.2 28.3 0 0.0 474 -1.6 0 0.0 0 0.0 10 63
471 B 538 CYS C H H X TS+ 0 0 -68.3 -47.7 179.0 53.4 108.9 20.0 467 -1.6 475 -2.0 0 0.0 0 0.0 12 65
472 B 539 MET M H H X TS+ 0 0 -52.2 -43.7 -179.1 53.6 108.4 23.2 468 -3.1 476 -2.8 0 0.0 0 0.0 10 72
473 B 540 ILE I H H X TS+ 0 0 -62.0 -39.9 -179.9 48.3 107.4 30.0 469 -2.9 477 -1.9 0 0.0 0 0.0 12 63
474 B 541 ASP D H H < TS+ 0 0 -73.5 -28.2 178.3 45.6 114.7 36.3 470 -1.6 0 0.0 0 0.0 0 0.0 8 50
475 B 542 ARG R H H X > TS+ 0 0 -77.3 -40.9 -179.4 51.2 112.8 26.8 471 -2.0 478 -1.0 0 0.0 479 -0.6 12 58
476 B 543 ALA A H H X > TS+ 0 0 -63.4 -37.6 -179.0 63.8 99.4 31.2 472 -2.8 480 -1.9 0 0.0 479 -1.2 11 65
477 B 544 SER S H H X 3 TS+ 0 0 -62.9 -20.9 177.4 61.4 93.9 45.1 473 -1.9 481 -2.3 0 0.0 0 0.0 10 47
478 B 545 LYS K H H > < TS+ 0 0 -72.6 -29.9 178.4 48.9 105.3 34.2 475 -1.0 482 -1.8 0 0.0 0 0.0 12 48
479 B 546 ILE I H H X < TS+ 0 0 -72.3 -44.0 179.3 49.5 110.6 24.0 476 -1.2 483 -2.7 475 -0.6 0 0.0 13 60
480 B 547 ALA A H H X TS+ 0 0 -60.0 -43.3 -179.8 50.3 110.8 22.9 476 -1.9 484 -2.1 0 0.0 0 0.0 11 59
481 B 548 GLU E H H X TS+ 0 0 -60.8 -41.9 -179.8 50.2 110.7 24.6 477 -2.3 485 -1.6 0 0.0 0 0.0 11 44
482 B 549 ALA A H H X TS+ 0 0 -62.5 -50.0 -179.9 50.0 108.9 21.3 478 -1.8 486 -1.4 0 0.0 0 0.0 13 55
483 B 550 ILE I H H X TS+ 0 0 -58.9 -38.9 -178.9 51.9 110.0 28.4 479 -2.7 487 -3.0 0 0.0 0 0.0 12 64
484 B 551 LYS K H H < TS+ 0 0 -70.6 -30.8 178.7 59.0 101.6 33.3 480 -2.1 0 0.0 0 0.0 0 0.0 9 51
485 B 552 ILE I H H < TS+ 0 0 -63.0 -34.9 -178.8 29.1 120.7 26.4 481 -1.6 0 0.0 0 0.0 0 0.0 10 47
486 B 553 ASP D H H < TS+ 0 0 -95.5 -27.6 -177.2 76.7 109.0 40.8 482 -1.4 488 -0.6 0 0.0 0 0.0 12 53
487 B 554 ASP D h < T + 0 0 -98.6 121.5 179.0 165.8 36.3 140.9 483 -3.0 0 0.0 0 0.0 0 0.0 9 53
488 B 555 ASP D + 0 0 -115.9 30.3 -179.8 147.7 30.2 94.8 486 -0.6 0 0.0 0 0.0 0 0.0 9 40
489 B 556 ALA A - 0 0 -70.2 138.7 178.4 -144.6 36.7 116.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
490 B 557 GLY G t > T - 0 0 -90.8 -176.2 -179.9 -43.1 49.3 105.2 0 0.0 493 -2.0 0 0.0 0 0.0 5 32
491 B 558 PRO P T T 3 TS- 0 0 -53.0 129.4 178.3 -3.6 126.6 103.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
492 B 559 ASP D T T 3 TS+ 0 0 65.5 10.0 178.9 135.4 96.4 57.3 0 0.0 0 0.0 0 0.0 0 0.0 10 28
493 B 560 GLU E t < T - 0 0 -93.0 133.2 179.9 -127.7 52.1 139.6 490 -2.0 0 0.0 0 0.0 0 0.0 9 33
494 B 561 TYR Y + 0 0 -68.7 169.3 179.4 172.6 32.4 99.5 0 0.0 0 0.0 0 0.0 0 0.0 11 38
495 B 562 SER S t > > T - 0 0 -169.2 165.1 -180.0 -92.4 50.2 164.9 0 0.0 499 -2.0 0 0.0 498 -1.7 9 48
496 B 563 PRO P T T 4 3 TS+ 0 0 -59.7 -19.8 -178.0 50.1 125.8 44.2 0 0.0 0 0.0 0 0.0 0 0.0 7 50
497 B 564 ASN N T T 4 3 TS+ 0 0 -99.6 -3.3 179.8 45.5 110.9 61.8 0 0.0 0 0.0 0 0.0 0 0.0 12 60
498 B 565 SER S T h > X TS+ 0 0 -106.0 -35.2 -179.3 70.7 96.4 42.3 495 -1.7 501 -1.3 0 0.0 502 -1.3 14 57
499 B 566 VAL V H H X 3 TS+ 0 0 -56.8 -28.2 179.8 71.8 82.5 42.8 495 -2.0 503 -2.5 0 0.0 0 0.0 12 50
500 B 567 PRO P H H > 3 TS+ 0 0 -57.0 -36.4 179.5 43.2 103.8 25.9 0 0.0 504 -1.3 0 0.0 0 0.0 12 48
501 B 568 ILE I H H > < TS+ 0 0 -71.2 -45.8 179.9 57.9 108.7 23.2 498 -1.3 505 -3.0 0 0.0 0 0.0 12 55
502 B 569 GLN Q H H X TS+ 0 0 -52.6 -39.3 179.8 54.3 103.8 30.6 498 -1.3 506 -3.0 0 0.0 0 0.0 12 49
503 B 570 GLY G H H X TS+ 0 0 -62.7 -46.6 179.7 45.4 109.4 20.6 499 -2.5 507 -1.9 0 0.0 0 0.0 8 45
504 B 571 GLN Q H H X TS+ 0 0 -62.5 -43.9 -180.0 48.6 115.0 22.2 500 -1.3 508 -2.8 0 0.0 0 0.0 11 42
505 B 572 LEU L H H X TS+ 0 0 -61.9 -43.7 -179.6 56.7 106.6 24.0 501 -3.0 509 -2.0 0 0.0 0 0.0 10 45
506 B 573 ALA A H H < TS+ 0 0 -54.0 -48.1 -179.9 34.5 116.5 24.8 502 -3.0 0 0.0 0 0.0 0 0.0 10 33
507 B 574 ILE I H H X > TS+ 0 0 -74.9 -40.5 -179.6 63.6 111.4 29.3 503 -1.9 511 -2.0 0 0.0 510 -1.7 8 29
508 B 575 SER S H H < 3 TS+ 0 0 -52.4 -45.5 -179.6 52.8 98.4 30.1 504 -2.8 0 0.0 0 0.0 0 0.0 7 37
509 B 576 GLN Q T h < 3 TS+ 0 0 -71.6 -6.4 179.2 48.7 111.9 55.4 505 -2.0 0 0.0 0 0.0 0 0.0 9 30
510 B 577 LEU L T T 4 < TS+ 0 0 -99.1 -34.7 179.3 101.7 86.9 40.8 507 -1.7 0 0.0 0 0.0 0 0.0 7 21
511 B 578 GLU E S t < TS- 0 0 -49.9 141.3 179.5 -109.9 84.0 98.5 507 -2.0 513 -0.6 0 0.0 0 0.0 6 18
512 B 579 THR T + 0 0 -79.9 118.3 179.8 137.1 61.7 132.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
513 B 580 GLY G - 0 0 -127.4 -128.6 179.3 -77.2 52.6 93.7 511 -0.6 0 0.0 0 0.0 0 0.0 4 13
514 B 581 TYR Y S S S+ 0 0 -144.1 150.5 -179.1 39.0 80.4 168.2 0 0.0 0 0.0 0 0.0 0 0.0 5 10
515 B 582 GLY G S S S- 0 0 99.8 175.3 -179.5 -28.1 102.6 109.4 0 0.0 517 -0.6 0 0.0 0 0.0 4 11
516 B 583 VAL V - 0 0 -72.7 113.5 -179.3 -141.7 66.3 123.4 0 0.0 0 0.0 0 0.0 0 0.0 4 12
517 B 584 ARG R - 0 0 -73.0 149.3 179.6 -164.6 16.8 110.7 515 -0.6 0 0.0 0 0.0 0 0.0 6 16
518 B 585 ILE I - 0 0 -136.4 149.8 178.1 -144.8 10.8 167.6 0 0.0 520 -0.5 0 0.0 0 0.0 5 19
519 B 586 PHE F - 0 0 -121.3 119.9 178.0 -172.2 13.5 163.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
520 B 587 ASN N - 0 0 -110.0 136.3 179.6 -120.0 25.8 154.8 518 -0.5 0 0.0 0 0.0 0 0.0 7 24
521 B 588 PRO P h > > T - 0 0 -65.4 158.4 180.0 -104.1 33.9 105.3 0 0.0 525 -2.0 0 0.0 524 -1.2 6 22
522 B 589 LYS K H H > 3 TS+ 0 0 -51.2 -44.5 -179.5 62.5 120.5 23.8 0 0.0 526 -2.5 0 0.0 0 0.0 7 29
523 B 590 GLY G H H > 3 TS+ 0 0 -51.9 -35.5 179.9 40.5 107.5 38.6 0 0.0 527 -0.9 0 0.0 0 0.0 7 24
524 B 591 ILE I H H > < TS+ 0 0 -84.7 -36.5 178.3 53.2 112.4 32.7 521 -1.2 528 -2.4 0 0.0 0 0.0 8 30
525 B 592 LEU L H H X TS+ 0 0 -64.2 -33.5 180.0 58.1 105.6 29.5 521 -2.0 529 -2.1 0 0.0 0 0.0 12 38
526 B 593 SER S H H X TS+ 0 0 -62.0 -41.5 179.5 43.6 108.9 27.6 522 -2.5 530 -1.7 0 0.0 0 0.0 14 39
527 B 594 LYS K H H X TS+ 0 0 -69.2 -52.6 179.5 52.9 110.6 18.0 523 -0.9 531 -2.7 0 0.0 0 0.0 11 36
528 B 595 ILE I H H X TS+ 0 0 -50.1 -41.1 179.6 50.3 110.4 27.7 524 -2.4 532 -2.0 0 0.0 0 0.0 11 44
529 B 596 ALA A H H X TS+ 0 0 -64.6 -43.7 -179.7 51.7 109.0 22.5 525 -2.1 533 -2.3 0 0.0 0 0.0 14 55
530 B 597 SER S H H X TS+ 0 0 -58.5 -47.3 -179.4 46.7 110.7 23.6 526 -1.7 534 -2.1 0 0.0 0 0.0 15 46
531 B 598 ARG R H H X TS+ 0 0 -64.5 -36.8 179.5 54.8 109.5 30.9 527 -2.7 535 -2.6 0 0.0 0 0.0 10 47
532 B 599 ALA A H H X TS+ 0 0 -61.6 -48.1 179.6 47.3 109.3 20.0 528 -2.0 536 -2.1 0 0.0 0 0.0 12 58
533 B 600 MET M H H X TS+ 0 0 -61.1 -40.4 179.9 50.0 112.3 27.2 529 -2.3 537 -2.4 0 0.0 0 0.0 10 66
534 B 601 GLN Q H H X TS+ 0 0 -65.4 -42.7 179.5 50.8 109.2 24.4 530 -2.1 538 -2.3 0 0.0 0 0.0 8 50
535 B 602 ALA A H H X TS+ 0 0 -61.4 -38.1 179.5 50.9 110.9 27.7 531 -2.6 539 -1.6 0 0.0 0 0.0 10 46
536 B 603 PHE F H H < TS+ 0 0 -64.6 -47.8 -179.6 46.0 111.2 21.3 532 -2.1 0 0.0 0 0.0 0 0.0 13 56
537 B 604 ILE I H H < TS+ 0 0 -65.6 -32.6 -179.6 45.3 116.8 33.7 533 -2.4 0 0.0 0 0.0 0 0.0 12 48
538 B 605 GLY G H H < TS+ 0 0 -83.4 -21.6 -179.6 13.9 134.2 44.0 534 -2.3 0 0.0 0 0.0 0 0.0 6 34
539 B 606 ASP D h < > T - 0 0 -154.3 82.5 180.0 -174.4 63.8 127.1 535 -1.6 542 -2.3 0 0.0 0 0.0 7 39
540 B 607 PRO P G G > TS+ 0 0 -53.5 -23.3 -179.1 73.3 80.0 41.9 0 0.0 543 -1.4 0 0.0 0 0.0 12 48
541 B 608 SER S G G > TS+ 0 0 -71.2 -3.6 -179.9 85.2 73.2 56.1 0 0.0 544 -0.9 0 0.0 0 0.0 8 53
542 B 609 THR T G G X TS+ 0 0 -67.4 -25.9 -179.9 66.1 78.3 37.2 539 -2.3 545 -0.7 0 0.0 0 0.0 13 50
543 B 610 ILE I G G < TS+ 0 0 -67.3 -27.2 179.2 37.3 107.9 38.1 540 -1.4 453 -2.3 0 0.0 0 0.0 13 58
544 B 611 ILE I G G < TS+ 0 0 -103.4 4.1 -180.0 104.8 97.6 65.9 541 -0.9 455 -1.8 0 0.0 0 0.0 14 57
545 B 612 THR T B B g X TS- 455 0 -91.0 130.9 -179.4 -109.3 77.8 136.0 542 -0.7 548 -1.5 0 0.0 0 0.0 14 47
546 B 613 GLN Q T T 3 TS+ 0 0 -57.1 140.7 178.3 2.3 95.1 101.4 455 -3.0 0 0.0 0 0.0 0 0.0 12 34
547 B 614 ALA A T T 3 TS+ 0 0 57.4 13.0 179.0 164.9 81.0 54.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
548 B 615 ALA A t > < T - 0 0 -61.8 114.0 -179.6 -107.8 50.8 118.7 545 -1.5 552 -1.7 0 0.0 0 0.0 10 36
549 B 616 PRO P T T 4 TS- 0 0 -8.7 -81.5 -178.1 -15.5 90.0 55.1 0 0.0 0 0.0 0 0.0 0 0.0 6 38
550 B 617 VAL V T T 4 > TS+ 0 0 -109.9 -28.5 -178.4 63.1 130.4 38.8 0 0.0 553 -1.4 0 0.0 0 0.0 9 51
551 B 618 LEU L T T 4 3 TS+ 0 0 -73.4 -4.9 -179.8 80.1 85.2 58.7 0 0.0 0 0.0 0 0.0 0 0.0 15 62
552 B 619 SER S T T < 3 TS+ 0 0 -76.5 -13.6 -179.7 82.6 77.9 51.1 548 -1.7 554 -0.6 0 0.0 0 0.0 16 48
553 B 620 ASP D S h > X TS- 0 0 -96.6 120.0 -178.6 -144.2 75.6 146.5 550 -1.4 557 -1.4 0 0.0 556 -0.7 9 46
554 B 621 LYS K H H > 3 TS+ 0 0 -55.1 -26.5 -179.8 61.1 96.7 40.8 552 -0.6 558 -2.3 0 0.0 0 0.0 11 52
555 B 622 ASN N H H > 3 TS+ 0 0 -68.5 -43.2 179.0 48.1 102.7 24.6 0 0.0 559 -2.2 0 0.0 0 0.0 7 47
556 B 623 ASN N H H > < TS+ 0 0 -65.3 -33.2 179.4 52.1 112.2 32.6 553 -0.7 560 -1.7 0 0.0 0 0.0 13 58
557 B 624 TRP W H H X TS+ 0 0 -66.4 -54.3 -179.6 45.9 110.0 13.4 553 -1.4 561 -3.3 0 0.0 0 0.0 14 70
558 B 625 ILE I H H X TS+ 0 0 -56.0 -41.7 179.9 52.8 111.9 28.5 554 -2.3 562 -2.5 0 0.0 0 0.0 11 56
559 B 626 ALA A H H X TS+ 0 0 -61.7 -41.3 179.9 41.5 115.0 27.2 555 -2.2 563 -1.9 0 0.0 0 0.0 11 50
560 B 627 LEU L H H X TS+ 0 0 -71.0 -53.5 179.7 49.6 114.3 18.6 556 -1.7 564 -2.4 0 0.0 0 0.0 12 66
561 B 628 ALA A H H X TS+ 0 0 -52.1 -49.4 -179.6 36.4 121.0 22.8 557 -3.3 565 -0.5 0 0.0 0 0.0 12 67
562 B 629 GLN Q H H X > TS+ 0 0 -75.0 -34.1 -179.5 60.0 112.3 33.7 558 -2.5 566 -0.9 0 0.0 565 -0.6 11 49
563 B 630 GLY G H H X > TS+ 0 0 -60.7 -46.1 -178.8 64.7 92.8 22.6 559 -1.9 567 -2.8 0 0.0 566 -0.8 11 47
564 B 631 VAL V H H X 3 TS+ 0 0 -46.7 -38.6 179.9 59.1 96.0 36.4 560 -2.4 568 -2.2 0 0.0 0 0.0 12 55
565 B 632 LYS K H H X < TS+ 0 0 -58.4 -48.5 179.7 39.2 111.7 21.4 562 -0.6 569 -2.3 561 -0.5 0 0.0 10 47
566 B 633 THR T H H X < TS+ 0 0 -67.5 -45.8 179.5 59.8 111.0 20.6 562 -0.9 570 -1.7 563 -0.8 0 0.0 8 37
567 B 634 SER S H H < TS+ 0 0 -49.6 -43.5 -179.2 33.3 115.5 30.5 563 -2.8 0 0.0 0 0.0 0 0.0 10 46
568 B 635 LEU L H H < > TS+ 0 0 -82.2 -46.5 -179.5 57.1 113.5 23.7 564 -2.2 571 -1.7 0 0.0 0 0.0 11 46
569 B 636 ARG R H H < 3 TS+ 0 0 -59.8 -21.2 -179.1 56.2 102.5 47.0 565 -2.3 0 0.0 0 0.0 0 0.0 7 34
570 B 637 THR T T h < 3 TS+ 0 0 -100.7 21.4 178.1 111.5 83.9 81.7 566 -1.7 0 0.0 0 0.0 0 0.0 6 25
571 B 638 LYS K t < T - 0 0 -90.1 154.3 179.0 -150.4 55.9 126.6 568 -1.7 0 0.0 0 0.0 0 0.0 7 33
572 B 639 SER S - 0 0 -128.9 93.0 -179.1 -61.3 65.9 145.9 0 0.0 0 0.0 0 0.0 0 0.0 4 27
573 B 640 LEU L S S S+ 0 0 34.6 44.2 -178.8 152.0 96.8 35.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
574 B 641 SER S - 0 0 -104.9 163.9 179.8 -164.3 34.3 127.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
575 B 642 ALA A - 0 0 -144.7 142.8 -179.5 -83.6 38.8 175.5 0 0.0 0 0.0 0 0.0 0 0.0 9 44
576 B 643 GLY G h > T - 0 0 -46.5 140.8 179.2 -128.5 33.6 93.8 0 0.0 580 -3.5 0 0.0 0 0.0 9 41
577 B 644 VAL V H H > TS+ 0 0 -55.1 -54.6 179.7 47.6 111.6 17.8 0 0.0 581 -1.9 0 0.0 0 0.0 6 30
578 B 645 LYS K H H > TS+ 0 0 -53.5 -44.2 -179.3 47.0 116.0 25.0 0 0.0 582 -1.9 0 0.0 0 0.0 7 27
579 B 646 THR T H H > TS+ 0 0 -65.3 -49.7 179.6 57.8 105.1 21.8 0 0.0 583 -2.9 0 0.0 0 0.0 9 32
580 B 647 ALA A H H X TS+ 0 0 -48.7 -48.6 -179.5 42.6 111.1 25.4 576 -3.5 584 -1.8 0 0.0 0 0.0 12 37
581 B 648 VAL V H H X TS+ 0 0 -67.0 -44.9 -178.7 51.5 113.6 20.3 577 -1.9 585 -2.9 0 0.0 0 0.0 10 27
582 B 649 SER S H H X TS+ 0 0 -59.8 -39.9 179.6 51.5 108.9 28.7 578 -1.9 586 -2.3 0 0.0 0 0.0 8 29
583 B 650 LYS K H H X TS+ 0 0 -61.9 -51.5 -179.7 41.7 114.1 19.2 579 -2.9 587 -3.2 0 0.0 0 0.0 9 37
584 B 651 LEU L H H X TS+ 0 0 -63.9 -42.4 179.2 52.7 114.0 25.2 580 -1.8 588 -2.2 0 0.0 0 0.0 13 34
585 B 652 SER S H H X TS+ 0 0 -59.6 -41.7 -180.0 42.4 114.9 24.9 581 -2.9 589 -1.5 0 0.0 0 0.0 8 29
586 B 653 SER S H H X TS+ 0 0 -72.2 -43.8 179.1 55.5 109.9 25.6 582 -2.3 590 -1.9 0 0.0 0 0.0 8 28
587 B 654 SER S H H X TS+ 0 0 -56.3 -39.4 179.6 52.5 107.3 28.1 583 -3.2 591 -2.3 0 0.0 0 0.0 10 34
588 B 655 GLU E H H X TS+ 0 0 -63.4 -46.2 -179.8 50.8 106.6 21.5 584 -2.2 592 -2.7 0 0.0 0 0.0 11 31
589 B 656 SER S H H X TS+ 0 0 -61.3 -32.8 179.7 48.0 112.3 33.1 585 -1.5 593 -1.8 0 0.0 0 0.0 8 24
590 B 657 ILE I H H X TS+ 0 0 -73.9 -40.3 178.7 51.6 110.1 27.2 586 -1.9 594 -3.0 0 0.0 0 0.0 10 29
591 B 658 GLN Q H H X TS+ 0 0 -60.1 -45.2 179.0 48.2 111.1 22.5 587 -2.3 595 -2.2 0 0.0 0 0.0 14 30
592 B 659 ASN N H H X TS+ 0 0 -61.9 -41.8 179.2 50.1 111.2 26.6 588 -2.7 596 -2.6 0 0.0 0 0.0 8 27
593 B 660 TRP W H H X TS+ 0 0 -62.2 -43.9 -179.8 54.1 108.3 23.5 589 -1.8 597 -1.8 0 0.0 0 0.0 8 28
594 B 661 THR T H H X TS+ 0 0 -56.8 -45.0 -180.0 46.6 110.0 25.5 590 -3.0 598 -2.5 0 0.0 0 0.0 11 32
595 B 662 GLN Q H H X TS+ 0 0 -64.6 -51.5 179.8 54.8 107.9 15.6 591 -2.2 599 -2.4 0 0.0 0 0.0 10 33
596 B 663 GLY G H H X TS+ 0 0 -52.0 -32.1 179.6 46.8 111.5 35.0 592 -2.6 600 -1.4 0 0.0 0 0.0 8 27
597 B 664 PHE F H H X TS+ 0 0 -75.2 -48.7 -179.9 53.2 108.0 20.2 593 -1.8 601 -2.1 0 0.0 0 0.0 8 32
598 B 665 LEU L H H X TS+ 0 0 -55.8 -30.2 178.6 55.6 107.0 34.5 594 -2.5 602 -2.6 0 0.0 0 0.0 11 39
599 B 666 ASP D H H X TS+ 0 0 -67.3 -46.4 179.2 50.6 104.5 20.5 595 -2.4 603 -2.6 0 0.0 0 0.0 9 30
600 B 667 LYS K H H X TS+ 0 0 -58.2 -35.6 179.5 52.1 110.6 30.2 596 -1.4 604 -1.8 0 0.0 0 0.0 8 27
601 B 668 VAL V H H X TS+ 0 0 -64.2 -53.4 179.5 47.8 108.8 15.0 597 -2.1 605 -1.4 0 0.0 0 0.0 12 34
602 B 669 SER S H H < TS+ 0 0 -55.1 -37.9 179.5 52.7 112.0 31.0 598 -2.6 0 0.0 0 0.0 0 0.0 13 30
603 B 670 THR T H H < TS+ 0 0 -68.9 -35.3 -178.4 39.3 113.9 33.5 599 -2.6 0 0.0 0 0.0 0 0.0 7 23
604 B 671 HIS H H H < TS+ 0 0 -95.3 -4.9 177.9 36.2 125.8 59.8 600 -1.8 0 0.0 0 0.0 0 0.0 6 26
605 B 672 PHE F S h < TS- 0 0 -144.0 67.5 -179.3 -162.3 89.5 123.7 601 -1.4 0 0.0 0 0.0 0 0.0 10 25
606 B 673 PRO P - 0 0 -55.0 142.6 177.8 -117.9 18.3 99.0 0 0.0 0 0.0 0 0.0 0 0.0 8 24
607 B 674 ALA A 0 0 -79.0 154.6 179.7 999.9 999.9 118.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
608 B 675 PRO P 0 0 -70.6 999.9 999.9 999.9 999.9 31.3 0 0.0 0 0.0 0 0.0 0 0.0 3 16
1jmuB.pdb
1JMU VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SEEEEESSSSS SGGGEEE BGGG B EE HHHHHHHHHHHHHHHTTHHHHHHTT S HHHH EEEEEEEESSHHHHHT EEEEEEEE Kabs/Sand
chirality +-------+--++++-+++-----++ -------+++++++++++++++++++++++-+-++----++++--+-+--+-+-+++++++--+--++-- chirality
bends S SSSSS SSSS SS SSSSSSSSSSSSSSSSSSSSSSSS S SSSS SSSSSSSS SS bends
turns TTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTTTTTT T turns
5-turns >5555< 5-turns
3-turns >>3<< >>3<< >>33<< >33< >>3<< >>3<< > 3-turns
bridge-2 BBB DDD*DD DD**DDD bridge-2
bridge-1 AAA BBB A A CC AAA CC bridge-1
sheets AAAAA AAA AA AAAAAAAA AAAAAAAA sheets
4-turns >>>>XXXXXXXXX<<<<>>>><<<< >>44<< >>>4<<< > 4-turns
summary SEEEEEeSSSS gGGeEEEeBGGGg B EEehHHHHHHHHHHHHHHHhhHHHHHHhTt S hHHHHhEEEEEEEEShHHHHHheEEEEEEEEh summary
sequence PGGVPWIAIGDETSVTSPGALRRMTSKDIDEPLVVVTEHAIANFTKAEMALEFNREFLDKLRVLSVSPKYSDLLTYVDCYVGVSARQALNNFQKQVPVIT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHTT SSS HHHHHHHHHHHS TT GGGT HHHHHHHHHHH TT TTT S HHHH Kabs/Sand
chirality +++++++++++++++++++++++++++++++-++---+---+--+++++++++++--++-++++++++++++++++-+++----++-+-+-++-++++++ chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSS SS SSSS SSSSSSSSSSS SS SSS S SSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns 33< >33< >33< >33< >33X>3<< >33<>33< >> 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>XXXXXXXXXXXX<>XXXXXXX<<<< >>>>XXXXX<<<< >444X>>>XXXXX<<<< >444< >>>>X 4-turns
summary HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHhTt SSS hHHHHHHHHHHHhtTTgGGGghHHHHHHHHHHHhTTt tTTTt ShHHHH summary
sequence PTRQTMYVDSIQAALKALEKWEIDLRVAQTLLPTNVPIGEVSCPMQSVVKLLDDQLPDDSLIRRYPKEAAVALAKRNGGIQWMDVSEGTVMNEAVNAVAA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHS BTTB HHHHHHHHHHHHHHHHHH HHHHT SS EEHHHH EEE TTTS TTT TTEEE SSS EEEEEEEETTS EEEEEEETT EE Kabs/Sand
chirality +++---++---+++++++++++++++++--+++++-+----++++-------+--+++--+++-++-----++-+++---+---+-+---+--+-++--- chirality
bends SSSS SSS SSSSSSSSSSSSSSSSSS SSSSS SS SSSS SSSS SSS SS SSS SSS SS bends
turns TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns 3<< >33< >33X33< >33< >33< >33<>33< >33< >33< 3-turns
bridge-2 ii C bridge-2
bridge-1 B B EE FFF GGG HHHHHHH HHHHHHH GG bridge-1
sheets BB CCC DDD DDDDDDDD DDDDDDD DD sheets
4-turns <<<< >>>>XXXXXXXXXXXX<<44<< >>44<< >444<>444< 4-turns
summary HHHh BTTB hHHHHHHHHHHHHHHHHHHhHHHHhtSS EEHHHHh EEEtTTTttTTTtTeEEEe SSS eEEEEEEEEeTteEEEEEEEeTeEE summary
sequence SALAPSASAPPLEEKSKLTEQAMDLVTAAEPEIIASLVPVPAPVFAIPPKPADYNVRTLKIDEATWLRMIPKTMGTLFQIQVTDNTGTNWHFNLRGGTRV sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EE TTS SEEEEEE TT BTTB TT EEEEEEEEESS GGG SGGG BSEEEEEEEE EEE SSTT EEE EEEEE HHHH STT EEE Kabs/Sand
chirality --+++--+-----++++-+++-++--+++--+-----+-+--+++++-+++--++---+-----+---+-++-------+-+--+-+++--++-++---- chirality
bends SSS S S SS SS SS SSS SSSS S SSSS SSSS SSS bends
turns TTTT TTTT TTTT TTTT TTTTT TTTTT TTTT TTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >>3<< >>3<< >33< >33< >33< 3-turns
bridge-2 JJ LLLLLL NNNNNNNe NNN*NNNN MMM bridge-2
bridge-1 G KKKKK D D MMMMMMMMM e ii OOO OOO KKKKK J bridge-1
sheets DD CCCCCC DDDDDDDDD DDDDDDDD EEE EEE CCCCC DDD sheets
4-turns >>44<< 4-turns
summary EEeTTt eEEEEEEtTTt BTTB tTTeEEEEEEEEESSgGGGg gGGGgBeEEEEEEEEeeEEEeStTTeEEEe EEEEEhHHHHh tTTtEEE summary
sequence VNLDQIAPMRFVLDLGGKSYKETSWDPNGKKVGFIVFQSKIPFELWTAASQIGQATVVNYVQLYAEDSSFTAQSIIATTSLAYNYEPEQLNKTDPEMNYY sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EEEEEEBSS TTT S S SSEEEEEES SS EEETTEEESEE HHHHTT B HHHHHHS TTBHHHHHHHHHHHHHHHHHHH TT TTTHH Kabs/Sand
chirality --+----+----+++++---+++-------+-++-----+---+---++++-++--++++++--++-+++++++++++++++++++++---+-+-+++++ chirality
bends SS SSS S S SS S SS SSSS S SSSSSS SSSSSSS SS SSSSSSSSSSSSSSSSSSS SS SSSSS bends
turns TTTTT TTTT TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTT turns
5-turns 5-turns
3-turns >33< >33< >>333<>33< >>3<< >33< >33X33 3-turns
bridge-2 MMMMMM LLLLLL f bridge-2
bridge-1 J C FFF PPP PPP EE g f bridge-1
sheets DDDDDD CCCCCC FFF FFF BB sheets
4-turns >444< >>44<< >>>><<<< >>>>XXXXXXXX<<<< >44>X> 4-turns
summary EEEEEEBSS tTTTt S S SSEEEEEEe SS EEETTEEEeEEhHHHHhTtBhHHHHHHhtTThHHHHHHHHHHHHHHHHHHHh tTTt tTThHH summary
sequence LLATFIDSAAITPTNMTQPDVWDALLTMSPLSAGEVTVKGAVVSEVVPAELIGSYTPESLNASLPNDAARCMIDRASKIAEAIKIDDDAGPDEYSPNSVP sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand HHHHHHHHTTS SS HHHHHHHHHHHHHHHHH GGGGGBTT TTTTSHHHHHHHHHHHHHHHHT S HHHHHHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality ++++++++++-+-+-------+++++++++++++++++-+++++-++--+++-+++++++++++++++++--+---++++++++++++++++++++++++ chirality
bends SSSSSSSSSSS SS SSSSSSSSSSSSSSSSS SSSSSSSS SSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns < >33< >33< >>>X<33X33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 g bridge-1
sheets sheets
4-turns >XXXX>>>XXXXXXXXXXX<<<< >444<>>>>XXXXXXXXXX<<<< >>>>XXXXXXXXXXXXXXXXXXXXX 4-turns
summary HHHHHHHHhTt SS hHHHHHHHHHHHHHHHHHhGGGGGBTTtTTTThHHHHHHHHHHHHHHHHht S hHHHHHHHHHHHHHHHHHHHHHHHH summary
sequence IQGQLAISQLETGYGVRIFNPKGILSKIASRAMQAFIGDPSTIITQAAPVLSDKNNWIALAQGVKTSLRTKSLSAGVKTAVSKLSSSESIQNWTQGFLDK sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand HHHHS Kabs/Sand
chirality ++++-- chirality
bends SSSSS bends
turns TTTTT turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< 4-turns
summary HHHHh summary
sequence VSTHFPAP sequence
Messages
chain break between 29(B 71 ) and 30(B 97 )