Secondary structure calculation program - copyright by David Keith Smith, 1989
7taa-.pdb
7TAA HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 476
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 1 ALA A 0 0 999.9 156.4 -172.0 999.9 999.9 999.9 0 0.0 226 -2.2 0 0.0 0 0.0 8 43
2 2 THR T h > T - 0 0 -90.1 173.5 171.9 -101.1 999.9 116.9 0 0.0 6 -1.8 0 0.0 0 0.0 9 35
3 3 PRO P H H > TS+ 0 0 -55.1 -41.2 179.2 53.3 123.7 31.2 0 0.0 7 -1.2 0 0.0 0 0.0 10 47
4 4 ALA A H H 4 TS+ 0 0 -66.0 -37.3 179.3 48.3 109.1 26.8 0 0.0 0 0.0 0 0.0 0 0.0 6 36
5 5 ASP D H H 4 > TS+ 0 0 -65.9 -36.7 -172.1 54.1 109.5 33.2 0 0.0 8 -0.7 0 0.0 0 0.0 8 41
6 6 TRP W H H < > TS+ 0 0 -75.7 -21.9 179.7 80.3 86.2 43.8 2 -1.8 9 -2.0 0 0.0 0 0.0 11 56
7 7 ARG R T h < 3 TS+ 0 0 -52.3 -29.4 -175.7 48.5 94.9 35.3 3 -1.2 0 0.0 0 0.0 0 0.0 11 59
8 8 SER S T T < TS+ 0 0 -95.6 5.4 -175.8 97.5 93.2 67.5 5 -0.7 0 0.0 0 0.0 0 0.0 10 59
9 9 GLN Q t < T - 0 0 -90.6 168.4 170.2 -152.5 55.7 116.2 6 -2.0 0 0.0 0 0.0 0 0.0 11 66
10 10 SER S e - 0 0 -137.0 135.1 -172.5 -140.5 20.2 175.6 0 0.0 58 -1.8 0 0.0 59 -1.3 12 71
11 11 ILE I E E Aab - 59 326 -108.7 138.5 170.9 -160.0 15.4 148.7 325 -3.1 327 -2.5 0 0.0 13 -0.6 13 73
12 12 TYR Y E E Aab - 60 327 -106.8 110.8 -177.1 -155.9 22.7 157.0 59 -2.3 61 -1.9 0 0.0 14 -0.5 13 67
13 13 PHE F E E Aab + 61 328 -94.8 130.0 -178.4 167.8 20.4 145.3 327 -3.1 329 -3.0 11 -0.6 0 0.0 11 70
14 14 LEU L E E Aa - 62 0 -138.8 157.5 175.5 -122.6 37.9 158.6 61 -2.3 16 -0.6 12 -0.5 63 -0.5 12 68
15 15 LEU L h > > T - 0 0 -101.1 121.6 -174.9 -141.1 24.7 158.9 0 0.0 18 -1.7 0 0.0 19 -0.7 11 67
16 16 THR T H H > > TS+ 0 0 -52.8 -43.6 -177.3 53.4 99.8 29.2 14 -0.6 19 -0.9 0 0.0 20 -0.6 14 68
17 17 ASP D H H 4 3 TS+ 0 0 -65.4 -21.6 -171.3 38.1 116.6 42.1 0 0.0 40 -2.0 0 0.0 0 0.0 15 66
18 18 ARG R H H 4 < TS+ 0 0 -112.6 2.9 -176.7 67.4 102.7 69.0 15 -1.7 347 -2.8 0 0.0 348 -0.5 14 68
19 19 PHE F H H < < TS- 0 0 -92.7 -60.7 -177.4 -13.8 106.3 19.6 16 -0.9 0 0.0 15 -0.7 0 0.0 15 68
20 20 ALA A h < T - 0 0 -148.4 132.3 174.8 -143.1 54.9 164.7 16 -0.6 41 -2.4 0 0.0 0 0.0 17 55
21 21 ARG R t > T - 0 0 -85.1 157.2 169.3 -113.9 30.2 126.0 0 0.0 24 -2.0 0 0.0 0 0.0 13 44
22 22 THR T T T 3 TS+ 0 0 -55.2 -37.0 179.6 56.7 115.9 29.5 0 0.0 0 0.0 0 0.0 0 0.0 8 37
23 23 ASP D T T 3 TS- 0 0 -78.2 3.6 -179.6 -127.8 105.8 67.6 0 0.0 0 0.0 0 0.0 0 0.0 5 29
24 24 GLY G t < T + 0 0 62.0 10.2 179.2 166.9 47.5 58.8 21 -2.0 0 0.0 0 0.0 0 0.0 7 35
25 25 SER S - 0 0 -57.9 144.1 175.6 -172.7 26.8 105.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30
26 26 THR T S S S+ 0 0 -114.2 6.2 -177.3 46.2 83.3 73.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
27 27 THR T S S S+ 0 0 -129.0 -6.8 173.5 128.6 70.2 61.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
28 28 ALA A - 0 0 -51.6 129.1 -178.8 -100.1 69.1 101.5 0 0.0 0 0.0 0 0.0 0 0.0 6 31
29 29 THR T + 0 0 -55.0 133.9 175.7 168.2 45.6 100.4 0 0.0 0 0.0 0 0.0 0 0.0 5 30
30 30 CYS C - 0 0 -150.7 84.4 -179.1 -174.3 9.6 132.3 0 0.0 32 -0.6 0 0.0 0 0.0 7 39
31 31 ASN N g > T - 0 0 -83.1 122.3 -171.5 -152.5 15.5 142.3 0 0.0 34 -1.4 0 0.0 0 0.0 7 34
32 32 THR T G G > TS+ 0 0 -68.1 -29.5 -177.2 65.3 90.4 33.1 30 -0.6 35 -1.6 0 0.0 0 0.0 11 42
33 33 ALA A G G 3 TS+ 0 0 -62.9 -23.9 -180.0 61.6 93.0 39.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
34 34 ASP D G G < TS- 0 0 -73.4 -24.3 -177.2 -150.8 88.7 50.5 31 -1.4 0 0.0 0 0.0 0 0.0 6 29
35 35 GLN Q g < T + 0 0 56.9 31.1 176.7 138.8 46.7 37.9 32 -1.6 77 -2.4 0 0.0 0 0.0 11 39
36 36 LYS K - 0 0 -97.5 165.4 171.2 -84.2 67.3 131.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
37 37 TYR Y - 0 0 -63.4 126.7 -178.8 -168.0 38.7 119.5 0 0.0 0 0.0 0 0.0 0 0.0 9 50
38 38 CYS C - 0 0 -98.2 -13.0 173.4 -103.2 44.8 55.3 0 0.0 0 0.0 0 0.0 0 0.0 10 49
39 39 GLY G + 0 0 109.3 8.1 178.5 157.9 59.1 57.0 0 0.0 0 0.0 0 0.0 0 0.0 10 46
40 40 GLY G - 0 0 -60.5 150.0 177.9 -170.7 20.1 105.5 17 -2.0 0 0.0 0 0.0 0 0.0 14 57
41 41 THR T h > T - 0 0 -142.3 163.7 -179.7 -113.0 39.1 157.9 20 -2.4 45 -1.5 0 0.0 0 0.0 15 52
42 42 TRP W H H > TS+ 0 0 -61.9 -37.3 175.4 55.2 117.8 31.3 94 -2.4 46 -1.8 0 0.0 0 0.0 12 56
43 43 GLN Q H H > TS+ 0 0 -60.6 -42.6 177.6 55.5 103.3 28.0 0 0.0 47 -2.1 0 0.0 0 0.0 11 42
44 44 GLY G H H > TS+ 0 0 -59.3 -40.9 176.3 53.8 103.7 26.7 0 0.0 48 -0.6 0 0.0 0 0.0 14 50
45 45 ILE I H H < > TS+ 0 0 -57.6 -48.0 177.8 53.3 106.7 17.8 41 -1.5 48 -1.7 0 0.0 0 0.0 13 63
46 46 ILE I H H < > TS+ 0 0 -52.2 -48.2 179.8 53.2 105.8 21.9 42 -1.8 49 -1.7 0 0.0 0 0.0 9 51
47 47 ASP D H H < 3 TS+ 0 0 -61.4 -23.5 -176.5 46.0 111.0 48.6 43 -2.1 0 0.0 0 0.0 0 0.0 7 40
48 48 LYS K T h X X TS+ 0 0 -108.0 22.5 -178.0 113.3 73.9 82.0 45 -1.7 52 -1.7 44 -0.6 51 -0.9 9 52
49 49 LEU L H H > < TS+ 0 0 -65.0 -29.1 177.6 56.7 75.4 32.4 46 -1.7 53 -2.9 0 0.0 0 0.0 9 50
50 50 ASP D H H > 3 TS+ 0 0 -67.4 -35.2 178.9 54.7 103.6 41.9 0 0.0 54 -1.4 0 0.0 0 0.0 7 35
51 51 TYR Y H H 4 < TS+ 0 0 -61.8 -46.0 -178.3 40.8 114.4 22.5 48 -0.9 0 0.0 0 0.0 0 0.0 9 49
52 52 ILE I H H < >>TS+ 0 0 -67.8 -55.5 178.8 45.8 116.0 14.4 48 -1.7 55 -1.9 0 0.0 57 -1.0 10 63
53 53 GLN Q H H < >5TS+ 0 0 -57.3 -33.3 178.1 70.2 100.9 38.7 49 -2.9 56 -2.2 0 0.0 0 0.0 9 48
54 54 GLY G T h < 35TS+ 0 0 -62.0 -19.5 173.0 55.7 93.7 50.1 50 -1.4 0 0.0 0 0.0 0 0.0 8 43
55 55 MET M T T <5TS- 0 0 -85.6 -5.9 -179.2 -109.6 123.6 64.1 52 -1.9 0 0.0 0 0.0 0 0.0 12 55
56 56 GLY G T T <5T + 0 0 88.0 19.1 176.1 152.6 64.6 50.4 53 -2.2 0 0.0 0 0.0 0 0.0 11 54
57 57 PHE F t T - 76 0 -82.4 178.8 171.0 -93.7 37.4 107.6 76 -2.3 76 -2.3 71 -0.9 0 0.0 9 33
74 74 ALA A T T 3 TS+ 0 0 -61.3 -16.9 175.5 49.4 132.8 45.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
75 75 TYR Y T T 3 TS- 0 0 -104.3 14.1 178.3 -111.9 121.6 87.6 0 0.0 0 0.0 0 0.0 0 0.0 8 37
76 76 GLY G B B A < T - 73 0 93.1 -169.1 -179.5 -25.4 54.0 111.7 73 -2.3 73 -2.3 0 0.0 0 0.0 9 37
77 77 ASP D - 0 0 -77.5 162.6 179.4 -107.9 61.1 110.7 35 -2.4 79 -1.1 0 0.0 0 0.0 11 47
78 78 ALA A t > T + 0 0 -86.2 48.5 -176.3 141.6 67.1 106.4 0 0.0 81 -1.3 0 0.0 0 0.0 13 56
79 79 TYR Y T T 3 T + 0 0 -59.2 -29.2 -176.1 59.5 63.6 41.2 77 -1.1 0 0.0 0 0.0 0 0.0 9 62
80 80 HIS H T T 3 TS- 0 0 -78.9 -13.7 179.9 -126.0 105.1 56.7 0 0.0 0 0.0 0 0.0 0 0.0 9 66
81 81 GLY G S t < TS+ 0 0 82.1 6.6 -174.9 113.0 76.8 60.9 78 -1.3 0 0.0 0 0.0 0 0.0 11 66
82 82 TYR Y + 0 0 -93.6 4.5 -178.7 70.5 60.0 70.2 0 0.0 0 0.0 0 0.0 0 0.0 11 62
83 83 TRP W S e S+ 0 0 -115.1 67.5 -172.8 177.2 70.0 124.7 0 0.0 69 -1.9 0 0.0 0 0.0 12 60
84 84 GLN Q E E BD + 68 0 -77.8 154.1 174.0 167.6 23.3 112.2 0 0.0 124 -2.0 0 0.0 0 0.0 13 56
85 85 GLN Q E E B* S+ 0 0 -127.0 -33.9 -179.3 37.4 74.9 49.5 67 -2.6 138 -2.3 0 0.0 0 0.0 14 53
86 86 ASP D E E BDb> T - 67 138 -127.7 101.5 -178.4 -175.7 56.2 154.4 67 -1.5 89 -1.3 0 0.0 67 -1.3 11 46
87 87 ILE I E E B* 3 TS+ 0 0 -73.0 -9.4 178.1 62.3 82.2 51.7 138 -2.2 0 0.0 0 0.0 0 0.0 10 49
88 88 TYR Y E E B* 3 TS+ 0 0 -96.0 6.8 177.5 56.7 101.5 72.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
89 89 SER S E E B* < TS- 0 0 -134.6 164.7 -175.6 -119.3 79.0 162.4 86 -1.3 67 -2.3 0 0.0 0 0.0 7 39
90 90 LEU L E E BD - 66 0 -101.1 156.0 175.0 -98.8 33.5 127.6 0 0.0 92 -0.8 0 0.0 0 0.0 10 49
91 91 ASN N e > T - 0 0 -71.7 110.4 -179.1 -156.8 33.2 133.9 65 -2.3 94 -1.5 0 0.0 0 0.0 10 50
92 92 GLU E T T 3 TS+ 0 0 -68.7 -16.1 177.5 78.3 82.4 56.2 90 -0.8 0 0.0 0 0.0 0 0.0 7 42
93 93 ASN N T T 3 TS+ 0 0 -65.3 -24.9 -177.4 45.2 98.0 32.4 0 0.0 0 0.0 0 0.0 0 0.0 6 48
94 94 TYR Y S t < TS- 0 0 -94.9 -12.4 178.1 -91.4 122.2 49.6 91 -1.5 42 -2.4 0 0.0 0 0.0 11 50
95 95 GLY G - 0 0 136.2 -162.8 179.1 -51.7 53.0 150.9 0 0.0 0 0.0 0 0.0 0 0.0 12 44
96 96 THR T h > > T - 0 0 -104.8 177.2 175.4 -95.3 52.6 118.5 0 0.0 100 -2.2 0 0.0 99 -0.7 8 31
97 97 ALA A H H > 3 TS+ 0 0 -55.7 -35.1 179.7 55.9 126.8 30.9 0 0.0 101 -2.1 0 0.0 0 0.0 7 33
98 98 ASP D H H > 3 TS+ 0 0 -69.0 -32.9 180.0 52.1 103.9 33.6 0 0.0 102 -2.8 0 0.0 0 0.0 7 29
99 99 ASP D H H > < TS+ 0 0 -66.2 -46.3 178.0 49.5 109.4 21.5 96 -0.7 103 -2.5 0 0.0 0 0.0 10 38
100 100 LEU L H H X TS+ 0 0 -58.1 -43.3 177.7 46.1 113.8 23.0 96 -2.2 104 -1.9 0 0.0 0 0.0 11 51
101 101 LYS K H H X TS+ 0 0 -66.3 -42.5 179.6 54.4 109.7 22.5 97 -2.1 105 -2.3 0 0.0 0 0.0 10 40
102 102 ALA A H H X TS+ 0 0 -58.6 -38.4 -178.2 53.3 106.7 25.9 98 -2.8 106 -2.3 0 0.0 0 0.0 8 33
103 103 LEU L H H X TS+ 0 0 -61.4 -51.3 -179.5 48.6 107.3 19.6 99 -2.5 107 -2.5 0 0.0 0 0.0 12 52
104 104 SER S H H X TS+ 0 0 -56.4 -43.1 -178.0 46.9 114.0 23.1 100 -1.9 108 -2.4 0 0.0 0 0.0 13 48
105 105 SER S H H X TS+ 0 0 -76.4 -27.6 174.0 52.8 109.6 29.0 101 -2.3 109 -2.0 0 0.0 0 0.0 8 33
106 106 ALA A H H X TS+ 0 0 -69.9 -35.9 174.6 46.4 112.5 24.6 102 -2.3 110 -0.8 0 0.0 0 0.0 9 36
107 107 LEU L H H < >>TS+ 0 0 -64.7 -51.2 -177.3 49.6 112.4 16.3 103 -2.5 112 -2.6 0 0.0 110 -1.0 13 47
108 108 HIS H H H < >5TS+ 0 0 -59.2 -35.9 178.6 60.1 103.5 25.9 104 -2.4 111 -1.8 0 0.0 0 0.0 10 33
109 109 GLU E H H < 35TS+ 0 0 -63.0 -30.4 -178.2 48.0 106.0 39.0 105 -2.0 0 0.0 0 0.0 0 0.0 7 24
110 110 ARG R T h < <5TS- 0 0 -93.3 7.4 -177.2 -105.6 122.2 73.3 107 -1.0 0 0.0 106 -0.8 0 0.0 6 30
111 111 GLY G T T <5TS+ 0 0 72.8 23.2 -177.5 131.9 80.3 44.3 108 -1.8 0 0.0 0 0.0 0 0.0 7 34
112 112 MET M t T - 0 0 -67.9 151.0 -179.2 -118.5 51.4 105.4 0 0.0 131 -0.8 0 0.0 0 0.0 11 29
129 129 GLY G G G > TS+ 0 0 -55.9 -45.0 -179.5 51.9 112.4 28.3 0 0.0 132 -1.3 0 0.0 0 0.0 11 33
130 130 SER S G G 3 TS+ 0 0 -63.1 -31.4 -170.6 53.9 107.5 35.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
131 131 SER S G G < TS+ 0 0 -92.0 12.2 -177.3 137.7 75.4 75.0 128 -0.8 0 0.0 0 0.0 0 0.0 6 25
132 132 VAL V g < T - 0 0 -64.3 140.3 173.1 -148.6 44.4 111.6 129 -1.3 134 -0.7 0 0.0 0 0.0 8 40
133 133 ASP D g > T - 0 0 -105.1 100.2 -173.9 -166.8 9.4 154.8 0 0.0 136 -1.6 0 0.0 0 0.0 5 33
134 134 TYR Y G G > TS+ 0 0 -68.1 -14.8 178.2 81.3 74.5 49.6 132 -0.7 137 -1.4 0 0.0 0 0.0 9 37
135 135 SER S G G 3 TS+ 0 0 -66.4 -21.1 177.6 66.6 80.3 37.6 0 0.0 0 0.0 0 0.0 0 0.0 7 25
136 136 VAL V G G < TS+ 0 0 -73.2 -16.8 -177.6 91.3 83.0 49.2 133 -1.6 0 0.0 0 0.0 0 0.0 7 36
137 137 PHE F S g < TS- 0 0 -84.8 141.8 178.4 -121.3 74.7 135.3 134 -1.4 0 0.0 0 0.0 0 0.0 10 41
138 138 LYS K B B b S- 86 0 -130.8 120.9 8.6 -9.9 87.5 171.0 85 -2.3 87 -2.2 0 0.0 0 0.0 10 39
139 139 PRO P S S S+ 0 0 -99.1 4.3 -169.9 67.3 127.5 174.4 0 0.0 141 -2.3 0 0.0 0 0.0 7 40
140 140 PHE F + 0 0 -84.5 61.6 -172.3 160.9 59.1 110.6 0 0.0 0 0.0 0 0.0 0 0.0 7 44
141 141 SER S + 0 0 -71.7 20.8 -176.6 62.9 46.2 87.9 139 -2.3 0 0.0 0 0.0 0 0.0 10 31
142 142 SER S S g > TS- 0 0 -147.8 154.1 179.5 -122.0 78.6 172.6 0 0.0 145 -1.5 0 0.0 0 0.0 8 31
143 143 GLN Q G G > TS+ 0 0 -68.7 -16.3 -176.1 76.4 104.1 47.1 0 0.0 146 -1.9 0 0.0 0 0.0 7 36
144 144 ASP D G G 3 TS+ 0 0 -69.4 -20.5 174.2 59.3 86.3 47.0 0 0.0 0 0.0 0 0.0 0 0.0 5 31
145 145 TYR Y G G < TS+ 0 0 -76.7 -5.9 -172.0 71.1 103.1 59.2 142 -1.5 177 -2.5 0 0.0 0 0.0 12 40
146 146 PHE F B B E < TS- 176 0 -116.8 163.9 173.1 -105.3 85.6 142.0 143 -1.9 0 0.0 0 0.0 0 0.0 10 50
147 147 HIS H - 0 0 -75.6 144.4 174.5 -91.3 52.6 120.5 175 -3.1 0 0.0 0 0.0 0 0.0 12 44
148 148 PRO P - 0 0 -50.3 140.7 -177.2 -85.8 59.6 98.8 0 0.0 0 0.0 0 0.0 0 0.0 5 36
149 149 PHE F + 0 0 -62.2 124.6 171.7 133.8 69.2 110.7 0 0.0 0 0.0 0 0.0 0 0.0 9 41
150 150 CYS C - 0 0 -159.0 149.8 177.1 -127.6 44.8 160.5 0 0.0 165 -3.3 0 0.0 0 0.0 6 37
151 151 PHE F B B f - 165 0 -95.8 164.5 -179.1 -101.7 34.0 127.3 0 0.0 153 -0.8 0 0.0 0 0.0 10 36
152 152 ILE I + 0 0 -90.5 110.6 -178.5 163.5 48.0 144.5 165 -0.8 0 0.0 0 0.0 0 0.0 10 33
153 153 GLN Q + 0 0 -92.3 -43.7 -176.0 37.8 66.5 33.0 151 -0.8 155 -0.5 0 0.0 0 0.0 5 21
154 154 ASN N t > T - 0 0 -115.9 103.4 -177.5 -168.9 58.6 161.2 0 0.0 157 -1.4 0 0.0 0 0.0 7 19
155 155 TYR Y T T 3 TS+ 0 0 -71.0 -1.4 179.8 64.5 87.8 61.3 153 -0.5 0 0.0 0 0.0 0 0.0 8 28
156 156 GLU E T T 3 TS+ 0 0 -95.5 -11.2 176.8 81.7 83.5 59.1 0 0.0 158 -0.9 0 0.0 0 0.0 5 23
157 157 ASP D h > < T - 0 0 -93.9 104.5 -174.5 -163.7 67.0 147.6 154 -1.4 161 -2.2 0 0.0 0 0.0 7 22
158 158 GLN Q H H > TS+ 0 0 -62.3 -28.9 -175.8 61.0 85.1 42.8 156 -0.9 162 -1.5 0 0.0 0 0.0 7 30
159 159 THR T H H > TS+ 0 0 -65.8 -48.2 174.5 41.9 107.7 18.2 0 0.0 163 -2.7 0 0.0 0 0.0 7 30
160 160 GLN Q H H > TS+ 0 0 -58.7 -44.7 -179.1 59.1 111.0 25.0 0 0.0 164 -3.1 0 0.0 0 0.0 12 31
161 161 VAL V H H < TS+ 0 0 -56.9 -39.1 179.7 32.2 116.1 33.5 157 -2.2 0 0.0 0 0.0 0 0.0 14 40
162 162 GLU E H H < TS+ 0 0 -87.1 -37.8 -174.4 35.5 128.0 37.4 158 -1.5 0 0.0 0 0.0 0 0.0 10 46
163 163 ASP D H H < TS+ 0 0 -99.1 -15.3 177.6 72.5 103.3 52.0 159 -2.7 0 0.0 0 0.0 0 0.0 11 44
164 164 CYS C S h < TS- 0 0 -95.3 174.8 -169.8 -93.5 86.9 124.0 160 -3.1 0 0.0 0 0.0 0 0.0 14 43
165 165 TRP W B B f - 151 0 -91.7 138.2 171.7 -138.5 24.2 129.9 150 -3.3 152 -0.8 0 0.0 0 0.0 13 54
166 166 LEU L E E CG S+ 173 0 -77.5 175.0 174.7 36.4 71.5 107.5 173 -0.5 173 -1.2 0 0.0 0 0.0 10 52
167 167 GLY G E E CG S- 172 0 85.0 -153.9 -178.7 -109.5 80.3 115.1 0 0.0 0 0.0 0 0.0 0 0.0 9 44
168 168 ASP D e - 0 0 -153.2 -159.5 179.7 -59.0 41.7 138.3 171 -2.5 0 0.0 0 0.0 0 0.0 10 32
169 169 ASN N S S S+ 0 0 -71.8 -18.4 -180.0 48.8 126.5 52.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
170 170 THR T S e S+ 0 0 -90.5 -58.3 172.6 11.1 129.9 25.8 0 0.0 127 -0.9 0 0.0 0 0.0 11 29
171 171 VAL V E E CFd S- 126 127 -122.5 112.9 -173.2 -163.9 83.3 168.4 0 0.0 168 -2.5 0 0.0 0 0.0 14 44
172 172 SER S E E CFG - 125 167 -103.1 148.4 -174.9 -150.0 12.0 137.2 125 -1.7 125 -1.7 127 -0.6 0 0.0 15 49
173 173 LEU L E E C G - 0 166 -120.2 89.4 -175.0 -141.7 16.7 144.1 166 -1.2 166 -0.5 0 0.0 0 0.0 14 59
174 174 PRO P - 0 0 -55.6 124.7 -171.6 -133.9 20.8 105.0 0 0.0 123 -1.8 0 0.0 176 -0.6 14 63
175 175 ASP D B B C - 122 0 -93.2 116.9 -179.0 -131.6 11.1 135.2 0 0.0 147 -3.1 0 0.0 0 0.0 13 61
176 176 LEU L B B E - 146 0 -68.4 141.2 177.1 -122.6 17.6 116.2 121 -2.0 178 -1.6 174 -0.6 0 0.0 12 62
177 177 ASP D t > T - 0 0 -81.9 88.2 -177.8 -179.3 33.9 133.6 145 -2.5 180 -1.5 0 0.0 0 0.0 10 48
178 178 THR T T T 3 TS+ 0 0 -75.0 4.0 172.5 71.1 71.1 71.0 176 -1.6 0 0.0 0 0.0 0 0.0 11 47
179 179 THR T T T 3 TS+ 0 0 -89.6 -9.2 179.3 93.6 79.3 60.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
180 180 LYS K S h > X TS- 0 0 -85.4 139.6 -179.9 -134.9 77.5 138.5 177 -1.5 184 -2.2 0 0.0 183 -0.9 8 32
181 181 ASP D H H > 3 TS+ 0 0 -64.7 -30.2 178.9 57.5 103.3 40.1 0 0.0 185 -2.9 0 0.0 0 0.0 7 26
182 182 VAL V H H > 3 TS+ 0 0 -65.4 -35.8 -175.8 46.6 109.4 32.8 0 0.0 186 -1.8 0 0.0 0 0.0 7 28
183 183 VAL V H H > < TS+ 0 0 -70.2 -49.7 179.0 45.5 114.8 13.5 180 -0.9 187 -2.5 0 0.0 0 0.0 12 42
184 184 LYS K H H X TS+ 0 0 -54.0 -53.7 -179.5 50.4 113.3 18.3 180 -2.2 188 -3.1 0 0.0 0 0.0 11 40
185 185 ASN N H H X TS+ 0 0 -54.3 -45.7 -179.5 47.9 111.1 29.8 181 -2.9 189 -1.9 0 0.0 0 0.0 8 31
186 186 GLU E H H X TS+ 0 0 -63.1 -44.7 -179.5 45.9 114.1 23.1 182 -1.8 190 -2.3 0 0.0 0 0.0 8 38
187 187 TRP W H H X TS+ 0 0 -65.7 -39.2 -178.7 52.1 111.3 24.5 183 -2.5 191 -2.6 0 0.0 0 0.0 10 50
188 188 TYR Y H H X TS+ 0 0 -65.4 -38.3 178.0 45.1 113.1 21.4 184 -3.1 192 -1.6 0 0.0 0 0.0 12 41
189 189 ASP D H H X TS+ 0 0 -71.1 -36.5 179.4 49.1 114.0 30.4 185 -1.9 193 -1.5 0 0.0 0 0.0 9 33
190 190 TRP W H H X TS+ 0 0 -69.1 -43.2 -172.6 53.5 107.5 20.4 186 -2.3 194 -2.6 0 0.0 0 0.0 8 44
191 191 VAL V H H X TS+ 0 0 -64.3 -39.6 175.9 47.5 109.4 18.1 187 -2.6 195 -2.2 0 0.0 0 0.0 11 51
192 192 GLY G H H X TS+ 0 0 -63.4 -41.1 176.1 47.8 114.5 26.5 188 -1.6 196 -2.4 0 0.0 0 0.0 11 39
193 193 SER S H H X TS+ 0 0 -64.7 -38.0 -178.0 52.0 109.0 33.4 189 -1.5 197 -2.5 0 0.0 0 0.0 8 35
194 194 LEU L H H X TS+ 0 0 -66.9 -42.9 -179.5 47.7 111.8 21.0 190 -2.6 198 -1.7 0 0.0 0 0.0 9 48
195 195 VAL V H H X >TS+ 0 0 -63.0 -44.7 -176.0 43.2 115.8 21.0 191 -2.2 200 -1.6 0 0.0 199 -0.8 11 49
196 196 SER S H H < >5TS+ 0 0 -74.2 -33.3 -177.7 53.8 112.3 21.9 192 -2.4 199 -0.6 0 0.0 0 0.0 8 32
197 197 ASN N H H < 35TS+ 0 0 -68.1 -31.5 -174.8 26.7 121.3 37.9 193 -2.5 0 0.0 0 0.0 0 0.0 7 37
198 198 TYR Y H H < 35TS- 0 0 -113.9 5.7 -178.8 -120.1 103.9 75.1 194 -1.7 0 0.0 0 0.0 0 0.0 9 45
199 199 SER S T h < <5T - 0 0 52.6 57.1 -179.0 -174.1 43.0 20.0 195 -0.8 0 0.0 196 -0.6 0 0.0 8 43
200 200 ILE I t T + 0 0 39.8 44.3 -177.3 161.8 68.3 42.7 0 0.0 210 -1.5 0 0.0 0 0.0 13 59
208 208 VAL V G G > T + 0 0 -64.0 -37.3 -178.6 56.8 69.7 30.4 230 -1.5 211 -1.5 0 0.0 0 0.0 10 59
209 209 LYS K G G 3 TS+ 0 0 -70.9 -6.5 -175.5 64.4 98.9 53.2 230 -0.7 0 0.0 0 0.0 0 0.0 11 58
210 210 HIS H G G < TS+ 0 0 -94.5 5.5 179.4 65.5 94.5 66.9 207 -1.5 0 0.0 0 0.0 0 0.0 9 53
211 211 VAL V S g < TS- 0 0 -126.3 134.8 -173.6 -96.3 99.1 163.0 208 -1.5 0 0.0 0 0.0 0 0.0 11 55
212 212 GLN Q g > > T - 0 0 -55.4 140.8 -177.2 -118.4 35.1 107.6 0 0.0 215 -2.4 0 0.0 216 -0.5 10 48
213 213 LYS K G G 4 > TS+ 0 0 -47.3 -39.7 -172.8 64.1 107.7 40.1 0 0.0 216 -1.2 0 0.0 0 0.0 9 43
214 214 ASP D G G 4 3 TS+ 0 0 -69.4 -10.8 176.5 65.6 91.5 49.0 0 0.0 0 0.0 0 0.0 0 0.0 6 36
215 215 PHE F G h > < TS+ 0 0 -71.2 -38.5 -166.5 62.6 93.5 32.0 212 -2.4 219 -1.1 0 0.0 0 0.0 11 47
216 216 TRP W H H X < TS+ 0 0 -63.8 -38.8 -177.9 63.0 86.5 28.9 213 -1.2 220 -2.8 212 -0.5 0 0.0 10 56
217 217 PRO P H H > TS+ 0 0 -54.5 -45.7 177.2 43.9 109.4 21.5 0 0.0 221 -1.9 0 0.0 0 0.0 10 41
218 218 GLY G H H > TS+ 0 0 -72.4 -27.5 175.8 52.7 112.0 34.0 0 0.0 222 -2.4 0 0.0 0 0.0 8 41
219 219 TYR Y H H X TS+ 0 0 -67.9 -46.1 179.2 48.9 109.6 18.6 215 -1.1 223 -2.5 0 0.0 0 0.0 11 54
220 220 ASN N H H X >TS+ 0 0 -57.2 -41.3 177.2 45.8 114.8 23.0 216 -2.8 224 -1.4 0 0.0 225 -0.6 13 56
221 221 LYS K H H < 5TS+ 0 0 -70.5 -42.2 178.6 51.2 111.0 23.1 217 -1.9 0 0.0 0 0.0 0 0.0 8 41
222 222 ALA A H H < 5TS+ 0 0 -63.0 -34.9 -175.5 53.0 108.5 29.2 218 -2.4 0 0.0 0 0.0 0 0.0 10 40
223 223 ALA A H H < 5TS- 0 0 -67.5 -30.8 -179.2 -156.1 91.3 30.3 219 -2.5 0 0.0 0 0.0 0 0.0 10 50
224 224 GLY G T h < 5T + 0 0 66.1 17.1 -177.0 81.3 59.4 46.0 220 -1.4 0 0.0 0 0.0 0 0.0 8 43
225 225 VAL V S t > T - 0 0 -87.1 116.6 -179.1 -157.5 59.7 138.8 0 0.0 239 -2.5 0 0.0 238 -1.2 8 37
236 236 PRO P H H > 3 TS+ 0 0 -64.1 -29.9 174.0 61.2 93.8 32.9 0 0.0 240 -1.3 0 0.0 0 0.0 12 43
237 237 ALA A H H 4 3 TS+ 0 0 -68.9 -17.6 174.4 37.1 113.4 41.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
238 238 TYR Y H H 4 < TS+ 0 0 -96.8 -41.4 -173.6 36.1 124.1 30.4 235 -1.2 0 0.0 0 0.0 0 0.0 8 38
239 239 THR T H H < > TS+ 0 0 -82.8 -45.2 177.2 59.5 107.1 27.6 235 -2.5 242 -1.3 0 0.0 0 0.0 14 53
240 240 CYS C G h < > TS+ 0 0 -51.4 -42.9 177.7 66.6 93.0 27.6 236 -1.3 243 -3.2 0 0.0 0 0.0 12 48
241 241 PRO P G G > TS+ 0 0 -56.7 -18.8 175.1 72.3 86.7 34.5 0 0.0 244 -2.5 0 0.0 0 0.0 10 43
242 242 TYR Y G G > X TS+ 0 0 -68.9 -15.9 176.1 73.2 80.7 43.7 239 -1.3 245 -1.6 0 0.0 246 -0.9 12 53
243 243 GLN Q G G 4 < TS+ 0 0 -73.1 -6.4 172.9 66.8 84.6 49.0 240 -3.2 0 0.0 0 0.0 0 0.0 13 54
244 244 ASN N G G 4 < TS+ 0 0 -84.9 -8.4 179.8 33.1 110.8 51.1 241 -2.5 0 0.0 0 0.0 0 0.0 8 39
245 245 VAL V T g 4 < TS+ 0 0 -123.5 1.1 179.1 29.7 125.5 65.3 242 -1.6 0 0.0 0 0.0 0 0.0 10 43
246 246 MET M S t < TS- 0 0 -155.7 157.1 -173.4 -107.4 82.5 169.8 242 -0.9 0 0.0 0 0.0 0 0.0 13 53
247 247 ASP D S S S- 0 0 -56.4 -51.5 -179.1 -15.0 91.0 26.6 0 0.0 0 0.0 0 0.0 0 0.0 12 53
248 248 GLY G E E Ai - 228 0 -149.0 169.4 174.9 -145.8 54.5 155.2 227 -1.9 229 -2.7 0 0.0 0 0.0 14 68
249 249 VAL V E E Ai - 229 0 -132.9 157.7 174.5 -92.2 37.4 160.5 0 0.0 290 -1.4 0 0.0 0 0.0 16 65
250 250 LEU L B e g - 290 0 -66.9 141.4 -175.5 -112.8 45.9 116.0 229 -2.6 252 -1.7 0 0.0 0 0.0 12 72
251 251 ASN N h > T + 0 0 -86.3 68.7 172.5 147.6 58.6 108.6 290 -3.0 255 -1.7 0 0.0 0 0.0 10 69
252 252 TYR Y H H > T + 0 0 -63.9 -35.0 174.8 65.8 68.2 26.8 250 -1.7 256 -1.2 0 0.0 0 0.0 11 58
253 253 PRO P H H 4 TS+ 0 0 -52.4 -46.6 179.8 37.2 109.3 21.5 0 0.0 0 0.0 0 0.0 0 0.0 13 55
254 254 ILE I H H > TS+ 0 0 -76.5 -30.2 180.0 74.2 104.1 31.2 0 0.0 258 -2.5 0 0.0 0 0.0 13 65
255 255 TYR Y H H X TS+ 0 0 -49.9 -53.4 -177.1 49.1 93.9 26.6 251 -1.7 259 -2.6 0 0.0 0 0.0 12 62
256 256 TYR Y H H X TS+ 0 0 -57.4 -54.7 -179.1 39.0 116.7 16.7 252 -1.2 260 -2.2 0 0.0 0 0.0 9 48
257 257 PRO P H H > TS+ 0 0 -65.7 -34.2 175.4 54.3 115.2 28.6 0 0.0 261 -2.3 0 0.0 0 0.0 12 44
258 258 LEU L H H X TS+ 0 0 -64.4 -48.6 177.4 44.4 110.8 13.8 254 -2.5 262 -1.6 0 0.0 0 0.0 11 67
259 259 LEU L H H X TS+ 0 0 -61.4 -42.5 -176.2 51.0 114.0 22.6 255 -2.6 263 -1.7 0 0.0 0 0.0 11 56
260 260 ASN N H H < TS+ 0 0 -66.8 -31.0 -179.3 54.1 107.2 27.6 256 -2.2 0 0.0 0 0.0 0 0.0 10 51
261 261 ALA A H H < TS+ 0 0 -71.3 -35.4 -175.1 27.8 120.9 32.6 257 -2.3 0 0.0 0 0.0 0 0.0 14 54
262 262 PHE F H H < TS+ 0 0 -108.3 -3.8 -178.4 82.8 97.1 61.3 258 -1.6 0 0.0 0 0.0 0 0.0 13 59
263 263 LYS K S h < TS+ 0 0 -78.0 -12.9 171.8 17.2 105.0 50.5 259 -1.7 0 0.0 0 0.0 0 0.0 11 48
264 264 SER S S t > TS- 0 0 -146.4 166.6 176.6 -112.0 78.1 173.0 0 0.0 267 -2.2 0 0.0 0 0.0 10 41
265 265 THR T T T 3 TS+ 0 0 -72.7 -4.4 173.6 54.4 119.6 49.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
266 266 SER S T T 3 TS+ 0 0 -107.2 10.0 -179.1 134.1 79.6 65.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
267 267 GLY G t < T - 0 0 -58.2 151.3 -180.0 -104.4 62.3 98.3 264 -2.2 269 -0.7 0 0.0 0 0.0 11 40
268 268 SER S h > T - 0 0 -85.0 112.4 171.6 -176.9 28.8 134.0 0 0.0 272 -1.1 0 0.0 0 0.0 11 37
269 269 MET M H H > TS+ 0 0 -67.1 -31.2 177.3 65.0 84.4 32.1 267 -0.7 273 -3.0 0 0.0 0 0.0 13 44
270 270 ASP D H H > TS+ 0 0 -58.3 -44.8 -179.2 48.9 98.7 24.0 0 0.0 274 -2.6 0 0.0 0 0.0 7 36
271 271 ASP D H H > TS+ 0 0 -68.0 -34.2 -178.3 47.7 114.2 23.9 0 0.0 275 -2.2 0 0.0 0 0.0 9 38
272 272 LEU L H H X TS+ 0 0 -71.5 -47.3 176.0 48.9 111.2 19.9 268 -1.1 276 -2.5 0 0.0 0 0.0 12 57
273 273 TYR Y H H X TS+ 0 0 -52.6 -50.7 -178.2 48.9 112.8 18.8 269 -3.0 277 -1.8 0 0.0 0 0.0 11 48
274 274 ASN N H H X TS+ 0 0 -61.9 -40.3 179.5 49.3 110.4 22.3 270 -2.6 278 -1.9 0 0.0 0 0.0 8 39
275 275 MET M H H X TS+ 0 0 -68.2 -35.4 177.2 57.0 105.9 24.1 271 -2.2 279 -2.9 0 0.0 0 0.0 11 47
276 276 ILE I H H X TS+ 0 0 -54.5 -46.6 -179.6 43.3 112.2 16.7 272 -2.5 280 -1.9 0 0.0 0 0.0 12 58
277 277 ASN N H H X TS+ 0 0 -66.2 -38.0 -178.5 52.0 112.7 33.3 273 -1.8 281 -1.8 0 0.0 0 0.0 10 44
278 278 THR T H H X TS+ 0 0 -67.7 -44.7 -178.6 45.1 111.6 25.8 274 -1.9 282 -3.0 0 0.0 0 0.0 10 40
279 279 VAL V H H X TS+ 0 0 -65.0 -35.7 -179.4 56.0 111.2 28.1 275 -2.9 283 -1.8 0 0.0 0 0.0 12 50
280 280 LYS K H H < TS+ 0 0 -60.6 -45.2 177.4 30.5 118.9 24.9 276 -1.9 0 0.0 0 0.0 0 0.0 11 46
281 281 SER S H H < TS+ 0 0 -80.4 -39.3 -169.2 39.5 127.3 38.1 277 -1.8 0 0.0 0 0.0 0 0.0 6 31
282 282 ASP D H H < TS+ 0 0 -98.2 -18.3 177.1 77.6 94.0 48.0 278 -3.0 0 0.0 0 0.0 0 0.0 9 34
283 283 CYS C S h < TS- 0 0 -90.1 144.6 179.7 -120.8 83.4 135.1 279 -1.8 0 0.0 0 0.0 0 0.0 12 46
284 284 PRO P S S S- 0 0 -50.7 -46.8 177.4 -1.9 98.1 20.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
285 285 ASP D g > T - 0 0 -154.1 100.8 -178.7 -171.4 57.0 137.7 0 0.0 288 -2.1 0 0.0 0 0.0 9 49
286 286 SER S G G > TS+ 0 0 -57.5 -30.6 -177.3 68.2 86.4 45.4 0 0.0 289 -1.3 0 0.0 0 0.0 11 57
287 287 THR T G G 3 TS+ 0 0 -74.1 -4.8 175.4 53.6 97.1 59.4 0 0.0 0 0.0 0 0.0 0 0.0 11 58
288 288 LEU L G G < TS+ 0 0 -110.9 9.7 175.7 98.5 88.9 74.6 285 -2.1 0 0.0 0 0.0 0 0.0 14 64
289 289 LEU L S e < TS- 0 0 -88.6 165.4 -179.8 -122.7 72.7 119.4 286 -1.3 324 -2.8 0 0.0 0 0.0 14 73
290 290 GLY G E E Ajg - 324 250 -113.8 123.1 -174.4 -148.5 21.5 160.1 249 -1.4 251 -3.0 0 0.0 0 0.0 13 76
291 291 THR T E E Aj + 325 0 -94.4 143.3 179.1 151.7 28.6 141.6 324 -2.0 326 -1.7 0 0.0 0 0.0 16 69
292 292 PHE F - 0 0 -160.6 160.1 172.8 -169.5 36.8 168.9 0 0.0 0 0.0 0 0.0 0 0.0 12 71
293 293 VAL V S S S+ 0 0 -129.0 -6.8 -179.8 42.3 79.5 67.0 0 0.0 0 0.0 0 0.0 0 0.0 12 66
294 294 GLU E + 0 0 -140.9 147.7 171.9 142.5 57.8 176.2 0 0.0 0 0.0 0 0.0 0 0.0 11 68
295 295 ASN N t > T - 0 0 -162.5 -171.7 -176.4 -82.6 60.4 157.2 0 0.0 298 -0.8 0 0.0 0 0.0 10 67
296 296 HIS H T T 3 TS+ 0 0 -85.2 3.5 178.6 57.0 118.5 66.0 0 0.0 0 0.0 0 0.0 0 0.0 8 57
297 297 ASP D T T 3 TS+ 0 0 -115.2 6.2 -179.2 46.7 105.2 69.6 0 0.0 0 0.0 0 0.0 0 0.0 7 44
298 298 ASN N S t < TS- 0 0 -142.0 158.0 178.6 -84.1 95.3 165.5 295 -0.8 0 0.0 0 0.0 0 0.0 10 39
299 299 PRO P - 0 0 -59.2 145.7 176.5 -103.7 56.2 103.7 0 0.0 0 0.0 0 0.0 0 0.0 15 37
300 300 ARG R h > > T - 0 0 -65.3 157.3 180.0 -108.3 30.5 105.7 337 -2.5 303 -1.0 0 0.0 304 -0.6 15 53
301 301 PHE F H H > > TS+ 0 0 -56.8 -44.6 -177.9 55.9 118.0 27.3 0 0.0 304 -1.4 0 0.0 305 -1.0 13 59
302 302 ALA A H H 4 3 TS+ 0 0 -68.1 -12.3 171.5 68.7 93.3 44.6 335 -0.8 0 0.0 0 0.0 0 0.0 12 47
303 303 SER S H H 4 < TS+ 0 0 -70.4 -21.7 178.1 44.0 106.0 40.5 300 -1.0 0 0.0 0 0.0 0 0.0 11 38
304 304 TYR Y H H < < TS- 0 0 -89.2 -36.2 -179.4 -4.8 135.0 36.0 301 -1.4 0 0.0 300 -0.6 0 0.0 8 39
305 305 THR T h < T - 0 0 -159.0 133.4 176.8 -152.2 49.3 162.0 301 -1.0 0 0.0 0 0.0 0 0.0 8 39
306 306 ASN N + 0 0 -89.7 9.3 -178.2 129.5 56.1 72.9 0 0.0 0 0.0 0 0.0 0 0.0 7 38
307 307 ASP D h > T - 0 0 -72.2 119.8 -174.5 -157.8 47.4 120.8 0 0.0 311 -1.7 0 0.0 0 0.0 9 42
308 308 ILE I H H > TS+ 0 0 -72.5 -29.8 175.2 55.9 88.3 31.8 0 0.0 312 -1.7 0 0.0 0 0.0 8 46
309 309 ALA A H H > TS+ 0 0 -66.5 -45.4 175.8 50.0 107.4 19.2 0 0.0 313 -2.1 0 0.0 0 0.0 12 55
310 310 LEU L H H > TS+ 0 0 -60.2 -39.7 179.2 50.6 110.7 23.3 0 0.0 314 -1.9 0 0.0 0 0.0 16 60
311 311 ALA A H H X TS+ 0 0 -66.6 -33.3 177.2 52.5 108.7 34.2 307 -1.7 315 -1.6 0 0.0 0 0.0 13 62
312 312 LYS K H H X TS+ 0 0 -65.6 -47.1 -178.7 47.8 109.9 22.9 308 -1.7 316 -1.9 0 0.0 0 0.0 12 68
313 313 ASN N H H X TS+ 0 0 -62.2 -43.3 -176.5 49.9 110.5 29.2 309 -2.1 317 -2.0 0 0.0 0 0.0 14 76
314 314 VAL V H H X TS+ 0 0 -68.4 -34.0 178.2 49.8 111.6 26.7 310 -1.9 318 -1.8 0 0.0 0 0.0 12 75
315 315 ALA A H H X TS+ 0 0 -69.4 -38.7 177.3 51.8 108.8 30.0 311 -1.6 319 -1.8 0 0.0 0 0.0 11 78
316 316 ALA A H H X TS+ 0 0 -63.3 -41.1 178.4 53.4 108.0 22.6 312 -1.9 320 -1.9 0 0.0 0 0.0 12 74
317 317 PHE F H H X TS+ 0 0 -56.1 -50.5 -176.3 52.7 106.2 24.8 313 -2.0 321 -1.7 0 0.0 0 0.0 9 73
318 318 ILE I H H < TS+ 0 0 -56.5 -47.3 -177.3 43.1 112.4 22.6 314 -1.8 0 0.0 0 0.0 0 0.0 13 78
319 319 ILE I H H < TS+ 0 0 -67.4 -36.8 -172.1 40.7 120.5 34.0 315 -1.8 0 0.0 0 0.0 0 0.0 15 76
320 320 LEU L H H < TS+ 0 0 -95.8 -1.5 176.6 96.8 92.2 59.8 316 -1.9 0 0.0 0 0.0 0 0.0 10 74
321 321 ASN N S h < TS- 0 0 -73.3 173.8 172.0 -79.4 90.2 107.4 317 -1.7 0 0.0 0 0.0 0 0.0 9 75
322 322 ASP D S S S+ 0 0 -66.0 157.6 171.3 26.1 97.2 111.1 0 0.0 0 0.0 0 0.0 0 0.0 12 73
323 323 GLY G S S S- 0 0 94.7 -162.9 -177.2 -29.4 107.3 122.6 0 0.0 0 0.0 0 0.0 0 0.0 12 66
324 324 ILE I E E Aj - 290 0 -100.5 125.3 175.4 -128.8 58.2 145.1 289 -2.8 291 -2.0 0 0.0 0 0.0 16 70
325 325 PRO P E E Aj - 291 0 -62.8 137.6 177.7 -169.5 24.1 112.6 0 0.0 11 -3.1 0 0.0 0 0.0 14 70
326 326 ILE I E E Ab - 11 0 -136.0 111.7 178.3 -176.3 5.3 162.6 291 -1.7 0 0.0 0 0.0 0 0.0 13 75
327 327 ILE I E E Ab - 12 0 -104.0 140.5 -178.2 -133.1 22.2 157.6 11 -2.5 13 -3.1 0 0.0 329 -0.5 13 72
328 328 TYR Y E E Ab > T - 13 0 -99.4 125.6 -175.4 -99.9 34.4 142.4 0 0.0 331 -2.8 0 0.0 0 0.0 10 67
329 329 ALA A T e 3 TS+ 0 0 -44.0 126.1 -177.2 32.0 112.5 99.7 13 -3.0 0 0.0 327 -0.5 0 0.0 11 70
330 330 GLY G T g >>TS+ 0 0 109.5 -29.8 177.3 94.6 92.5 98.9 0 0.0 335 -1.9 0 0.0 333 -1.2 10 65
331 331 GLN Q G G X5TS+ 0 0 -55.8 -40.8 -176.4 53.1 84.2 28.8 328 -2.8 334 -1.2 0 0.0 0 0.0 12 74
332 332 GLU E G G 35TS+ 0 0 -73.8 -14.6 174.5 50.9 108.1 48.6 0 0.0 0 0.0 0 0.0 0 0.0 12 68
333 333 GLN Q G G <5TS- 0 0 -103.0 12.3 176.2 -113.6 116.8 78.2 330 -1.2 0 0.0 0 0.0 0 0.0 11 52
334 334 HIS H T g <5T - 0 0 66.9 31.4 175.7 -177.0 47.6 34.1 331 -1.2 0 0.0 0 0.0 0 0.0 8 53
335 335 TYR Y t TS- 0 0 -66.3 153.9 177.6 -28.4 98.8 100.2 0 0.0 342 -2.3 0 0.0 0 0.0 10 24
340 340 ASP D T T 3 TS+ 0 0 -37.2 124.9 7.9 21.9 130.2 95.6 0 0.0 0 0.0 0 0.0 0 0.0 10 35
341 341 PRO P T T > TS+ 0 0 -90.7 1.5 -173.7 59.7 119.6 169.5 0 0.0 344 -1.4 0 0.0 0 0.0 9 40
342 342 ALA A T T < TS+ 0 0 -67.1 -13.1 177.9 60.3 98.9 49.0 339 -2.3 0 0.0 0 0.0 0 0.0 10 43
343 343 ASN N T T 3 TS+ 0 0 -98.1 16.3 176.5 80.7 85.3 83.8 0 0.0 0 0.0 0 0.0 0 0.0 16 48
344 344 ARG R t < T + 0 0 -107.9 37.5 -173.9 160.5 66.2 99.4 341 -1.4 0 0.0 0 0.0 0 0.0 11 62
345 345 GLU E - 0 0 -65.2 150.0 179.0 -104.9 47.5 102.6 0 0.0 347 -0.5 0 0.0 0 0.0 12 60
346 346 ALA A g > T - 0 0 -75.8 123.0 -179.7 -149.3 21.4 131.5 0 0.0 349 -1.1 0 0.0 0 0.0 12 59
347 347 THR T G G >>TS+ 0 0 -60.6 -33.5 -174.0 68.0 90.5 35.1 18 -2.8 350 -1.7 345 -0.5 352 -0.6 12 61
348 348 TRP W G G >5TS+ 0 0 -62.8 -25.2 -178.0 72.5 82.8 36.6 18 -0.5 351 -1.6 0 0.0 0 0.0 12 49
349 349 LEU L G G <5TS+ 0 0 -64.1 -20.6 179.5 64.0 88.5 40.7 346 -1.1 0 0.0 0 0.0 0 0.0 9 42
350 350 SER S G G <5TS- 0 0 -72.8 -23.4 -176.0 -125.5 107.2 38.7 347 -1.7 0 0.0 0 0.0 0 0.0 8 38
351 351 GLY G T g <5T - 0 0 88.2 4.9 178.3 -98.1 43.5 65.4 348 -1.6 0 0.0 0 0.0 0 0.0 7 36
352 352 TYR Y t TS- 0 0 -67.8 155.1 -178.6 -111.4 72.4 107.4 0 0.0 360 -2.1 0 0.0 0 0.0 9 32
357 357 GLU E H H > TS+ 0 0 -58.8 -46.9 179.4 40.5 115.5 26.5 0 0.0 361 -1.8 0 0.0 0 0.0 8 40
358 358 LEU L H H > TS+ 0 0 -76.3 -29.1 178.7 60.8 108.4 42.2 0 0.0 362 -2.2 0 0.0 0 0.0 12 56
359 359 TYR Y H H > TS+ 0 0 -57.4 -48.8 -180.0 43.4 110.8 18.1 0 0.0 363 -2.6 0 0.0 0 0.0 12 46
360 360 LYS K H H X TS+ 0 0 -63.7 -47.3 178.4 49.3 113.3 24.2 356 -2.1 364 -2.5 0 0.0 0 0.0 11 45
361 361 LEU L H H X TS+ 0 0 -58.1 -49.9 178.9 47.0 113.5 21.3 357 -1.8 365 -2.5 0 0.0 0 0.0 12 55
362 362 ILE I H H X TS+ 0 0 -57.4 -46.6 -179.7 51.9 111.0 16.9 358 -2.2 366 -3.2 0 0.0 0 0.0 14 62
363 363 ALA A H H X TS+ 0 0 -59.4 -41.6 -178.1 46.2 112.2 24.9 359 -2.6 367 -2.0 0 0.0 0 0.0 11 52
364 364 A SER S H H X TS+ 0 0 -71.4 -36.4 -179.0 47.0 114.1 25.7 360 -2.5 368 -1.9 0 0.0 0 0.0 11 56
365 365 ALA A H H X TS+ 0 0 -71.6 -44.5 179.2 46.7 114.1 25.0 361 -2.5 369 -1.9 0 0.0 0 0.0 13 65
366 366 ASN N H H X TS+ 0 0 -65.6 -34.9 179.4 59.1 108.3 29.5 362 -3.2 370 -3.1 0 0.0 0 0.0 13 62
367 367 ALA A H H X TS+ 0 0 -58.8 -48.8 178.1 41.6 108.8 22.3 363 -2.0 371 -2.2 0 0.0 0 0.0 10 52
368 368 ILE I H H X TS+ 0 0 -69.2 -38.2 177.3 51.5 115.4 27.4 364 -1.9 372 -3.0 0 0.0 0 0.0 10 66
369 369 ARG R H H X TS+ 0 0 -60.5 -47.2 -177.4 45.4 112.2 16.0 365 -1.9 373 -2.1 0 0.0 0 0.0 10 67
370 370 ASN N H H X TS+ 0 0 -62.9 -39.9 -177.9 47.7 115.4 20.3 366 -3.1 374 -1.4 0 0.0 0 0.0 10 56
371 371 TYR Y H H X TS+ 0 0 -69.1 -42.4 -178.6 53.0 109.6 16.8 367 -2.2 375 -1.1 0 0.0 0 0.0 9 50
372 372 ALA A H H X TS+ 0 0 -60.7 -42.7 -177.7 48.5 107.6 29.9 368 -3.0 376 -1.6 0 0.0 0 0.0 10 54
373 373 ILE I H H < TS+ 0 0 -69.1 -26.9 175.0 62.2 104.8 33.3 369 -2.1 0 0.0 0 0.0 0 0.0 12 48
374 374 A SER S H H < TS+ 0 0 -58.3 -33.0 -175.3 30.4 117.0 33.5 370 -1.4 0 0.0 0 0.0 0 0.0 7 35
375 375 LYS K H H < TS+ 0 0 -106.1 -14.5 -175.1 50.0 119.6 51.7 371 -1.1 0 0.0 0 0.0 0 0.0 6 35
376 376 ASP D h < > T - 0 0 -136.6 98.4 -179.9 -169.7 54.2 153.4 372 -1.6 379 -1.8 0 0.0 0 0.0 10 30
377 377 THR T T T 3 TS+ 0 0 -63.8 -6.0 177.8 56.6 90.9 54.8 0 0.0 0 0.0 0 0.0 0 0.0 7 29
378 378 GLY G T g > > TS+ 0 0 -102.6 -3.2 -175.9 92.3 78.5 53.9 0 0.0 382 -2.1 0 0.0 381 -0.9 9 31
379 379 PHE F G G 4 X TS+ 0 0 -56.9 -51.4 -175.9 45.9 87.7 21.3 376 -1.8 382 -0.6 0 0.0 0 0.0 12 46
380 380 VAL V G G 4 3 TS+ 0 0 -67.3 -22.6 179.8 40.2 118.6 45.0 0 0.0 0 0.0 0 0.0 0 0.0 13 49
381 381 THR T G G 4 < TS+ 0 0 -104.0 -3.8 170.2 101.3 88.7 59.1 378 -0.9 383 -0.6 0 0.0 0 0.0 6 43
382 382 TYR Y S g < < TS- 0 0 -72.0 122.6 -177.7 -123.3 80.5 131.8 378 -2.1 0 0.0 379 -0.6 0 0.0 9 43
383 383 LYS K - 0 0 -75.2 119.2 -177.8 -110.3 25.7 122.3 381 -0.6 0 0.0 0 0.0 0 0.0 10 45
384 384 ASN N - 0 0 -49.1 135.5 -175.9 -161.8 36.3 97.0 0 0.0 0 0.0 0 0.0 0 0.0 11 59
385 385 TRP W E E DK - 397 0 -129.7 125.1 177.9 -138.0 16.7 170.8 397 -1.9 397 -2.5 0 0.0 0 0.0 9 47
386 386 PRO P E E DK + 396 0 -75.7 122.3 -177.3 179.2 23.7 134.2 0 0.0 0 0.0 0 0.0 0 0.0 12 47
387 387 ILE I E E D* + 0 0 -104.7 -6.2 -175.0 10.9 59.6 57.8 395 -1.8 0 0.0 0 0.0 0 0.0 10 44
388 388 TYR Y E E DK + 395 0 -164.9 147.3 172.0 176.8 55.9 163.7 395 -1.3 395 -2.2 0 0.0 0 0.0 10 40
389 389 LYS K E E DK + 394 0 -153.4 152.7 172.8 170.5 3.1 170.7 0 0.0 0 0.0 0 0.0 0 0.0 12 41
390 390 ASP D E E DK > T - 393 0 -142.7 -171.9 -178.6 -72.9 58.8 137.4 393 -2.2 393 -0.7 0 0.0 0 0.0 7 35
391 391 ASP D T T 3 TS+ 0 0 -60.0 -28.8 -177.5 19.3 131.2 43.1 0 0.0 0 0.0 0 0.0 0 0.0 6 30
392 392 THR T T e 3 TS+ 0 0 -125.1 14.7 -173.5 64.4 119.1 74.0 0 0.0 411 -2.1 0 0.0 0 0.0 13 49
393 393 THR T E E DKL< T - 390 410 -141.9 149.3 169.1 -178.7 43.6 170.9 390 -0.7 390 -2.2 0 0.0 0 0.0 11 61
394 394 ILE I E E DKL - 389 409 -140.9 139.5 175.7 -169.9 11.0 173.7 409 -2.4 409 -3.6 0 0.0 0 0.0 14 64
395 395 ALA A E E DKL - 388 408 -129.3 142.1 -177.5 -171.4 6.5 174.1 388 -2.2 387 -1.8 0 0.0 388 -1.3 12 64
396 396 MET M E E DKL - 386 407 -135.4 159.9 -178.3 -145.9 12.4 154.3 407 -2.1 407 -2.2 0 0.0 0 0.0 12 59
397 397 ARG R E E DKL + 385 406 -133.5 129.8 178.6 162.5 20.4 171.9 385 -2.5 385 -1.9 0 0.0 0 0.0 13 56
398 398 LYS K E E D L + 0 405 -145.2 136.9 -179.7 60.0 35.3 172.5 405 -2.0 405 -3.1 0 0.0 0 0.0 12 58
399 399 GLY G S S S- 0 0 125.8 153.0 178.2 -54.8 87.4 114.9 0 0.0 0 0.0 0 0.0 0 0.0 12 49
400 400 THR T S t > TS- 0 0 -56.7 136.1 179.1 -84.9 75.2 107.4 0 0.0 403 -2.9 0 0.0 0 0.0 10 33
401 401 ASP D T T 3 TS+ 0 0 -45.0 133.6 -177.9 28.4 121.0 99.7 0 0.0 0 0.0 0 0.0 0 0.0 6 34
402 402 GLY G T T 3 TS+ 0 0 98.0 -22.9 178.6 50.8 123.6 86.7 0 0.0 0 0.0 0 0.0 0 0.0 6 36
403 403 SER S S t < TS+ 0 0 -125.9 17.1 -172.5 142.8 79.3 87.8 400 -2.9 0 0.0 0 0.0 0 0.0 11 44
404 404 GLN Q - 0 0 -68.5 145.8 170.5 -137.3 45.3 112.0 0 0.0 0 0.0 0 0.0 0 0.0 11 58
405 405 ILE I E E DL - 398 0 -95.6 135.8 177.3 -160.9 16.6 150.1 398 -3.1 398 -2.0 0 0.0 0 0.0 10 70
406 406 VAL V E E DLM - 397 463 -119.3 118.4 -174.9 -165.9 7.0 170.4 463 -1.7 463 -3.2 0 0.0 0 0.0 12 70
407 407 THR T E E DLM - 396 462 -113.2 129.7 -175.4 -161.7 5.9 159.7 396 -2.2 396 -2.1 0 0.0 409 -0.6 12 69
408 408 ILE I E E DLM - 395 461 -116.0 111.8 -176.5 -171.6 12.9 167.9 461 -3.7 461 -2.5 0 0.0 0 0.0 11 72
409 409 LEU L E E DL - 394 0 -109.0 145.7 -174.2 -168.2 1.3 151.0 394 -3.6 394 -2.4 407 -0.6 0 0.0 12 73
410 410 SER S E E DL - 393 0 -133.7 149.0 175.4 -164.7 24.7 160.6 0 0.0 0 0.0 0 0.0 0 0.0 13 63
411 411 ASN N e + 0 0 -115.7 23.8 176.4 107.3 64.1 80.4 392 -2.1 0 0.0 0 0.0 0 0.0 15 57
412 412 LYS K S S S- 0 0 -68.0 -28.2 179.0 -143.1 74.0 45.6 0 0.0 0 0.0 0 0.0 0 0.0 11 47
413 413 GLY G t > T - 0 0 92.2 173.7 -173.6 -48.1 36.3 95.6 0 0.0 416 -2.3 0 0.0 0 0.0 14 44
414 414 ALA A T T 3 TS+ 0 0 -66.2 -14.0 177.8 54.0 135.3 45.6 0 0.0 0 0.0 0 0.0 0 0.0 11 35
415 415 SER S T T 3 TS+ 0 0 -95.9 -1.8 -175.0 140.0 78.8 67.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
416 416 GLY G t < T - 0 0 -47.7 138.2 -178.2 -115.4 53.9 96.9 413 -2.3 457 -1.4 0 0.0 0 0.0 9 34
417 417 ASP D - 0 0 -71.9 166.1 -176.3 -105.9 27.9 96.7 0 0.0 0 0.0 0 0.0 0 0.0 8 23
418 418 SER S + 0 0 -102.0 132.2 -175.0 135.1 56.2 147.2 0 0.0 0 0.0 0 0.0 0 0.0 8 25
419 419 TYR Y E E EN - 455 0 -161.0 177.4 -176.6 -100.3 51.4 160.3 455 -2.0 455 -3.5 0 0.0 0 0.0 7 26
420 420 THR T E E EN - 454 0 -117.8 124.2 -178.7 -155.9 24.9 165.3 0 0.0 422 -0.5 0 0.0 0 0.0 8 33
421 421 LEU L E E EN - 453 0 -97.6 129.1 175.5 -149.0 8.1 158.7 453 -2.9 453 -3.2 0 0.0 423 -0.9 9 45
422 422 SER S E E EN - 452 0 -96.4 104.9 -173.8 -160.2 22.1 150.9 420 -0.5 424 -0.5 0 0.0 0 0.0 8 38
423 423 LEU L E E EN - 451 0 -92.2 125.9 176.4 -171.5 10.5 136.9 451 -3.3 451 -2.6 421 -0.9 0 0.0 10 47
424 424 SER S + 0 0 -105.8 158.7 174.8 44.7 63.0 139.4 422 -0.5 0 0.0 0 0.0 0 0.0 8 35
425 425 GLY G + 0 0 94.2 0.6 -176.6 122.9 67.0 70.1 0 0.0 0 0.0 0 0.0 0 0.0 7 39
426 426 ALA A - 0 0 -68.4 -30.2 174.2 -136.2 66.0 41.3 0 0.0 0 0.0 0 0.0 0 0.0 11 52
427 427 GLY G + 0 0 87.8 11.2 178.8 132.7 56.0 50.1 0 0.0 0 0.0 0 0.0 0 0.0 7 42
428 428 TYR Y - 0 0 -91.9 157.8 -179.2 -106.7 56.7 132.6 0 0.0 0 0.0 0 0.0 0 0.0 8 45
429 429 THR T t > T - 0 0 -89.2 157.3 -179.5 -81.9 40.8 121.7 0 0.0 432 -2.4 0 0.0 0 0.0 7 33
430 430 ALA A T T 3 TS+ 0 0 -56.4 132.2 -177.3 11.6 113.5 90.3 0 0.0 0 0.0 0 0.0 0 0.0 9 25
431 431 GLY G T T 3 TS+ 0 0 80.0 -3.2 -178.6 146.6 89.1 63.3 445 -1.7 0 0.0 0 0.0 0 0.0 8 25
432 432 GLN Q e < T - 0 0 -66.0 140.9 177.6 -130.7 45.9 115.4 429 -2.4 445 -2.4 0 0.0 0 0.0 9 35
433 433 GLN Q E E DO - 444 0 -91.1 138.6 179.7 -168.4 25.6 141.4 0 0.0 466 -1.9 0 0.0 0 0.0 11 39
434 434 LEU L E E DOP - 443 465 -125.7 149.2 175.5 -139.1 14.5 156.3 443 -3.3 443 -2.5 0 0.0 0 0.0 12 49
435 435 THR T E E DOP - 442 464 -105.7 136.6 176.0 -142.7 9.7 154.3 464 -3.1 464 -1.7 0 0.0 437 -0.9 12 49
436 436 GLU E E E >DOP >T - 441 463 -92.7 103.6 -168.7 -162.1 22.4 153.4 441 -3.2 440 -1.4 0 0.0 441 -1.2 13 53
437 437 VAL V T e 4 5TS+ 0 0 -75.8 -6.6 178.0 58.3 75.1 55.0 462 -2.4 0 0.0 435 -0.9 0 0.0 15 54
438 438 ILE I T T 4 5TS+ 0 0 -83.4 -52.5 -179.4 19.0 124.8 19.5 0 0.0 0 0.0 0 0.0 0 0.0 10 57
439 439 GLY G T T 4 5TS- 0 0 -96.8 -2.3 179.2 -126.2 104.2 61.0 0 0.0 0 0.0 0 0.0 0 0.0 6 42
440 440 CYS C T T < 5T + 0 0 57.6 53.1 175.8 131.4 60.4 21.4 436 -1.4 0 0.0 0 0.0 0 0.0 8 36
441 441 THR T E E DO T - 0 0 -67.0 163.4 -176.8 -98.7 27.6 95.2 450 -2.7 449 -2.2 0 0.0 0 0.0 10 27
447 447 SER S T T 3 TS+ 0 0 -61.5 -20.2 177.4 52.9 122.8 44.1 0 0.0 0 0.0 0 0.0 0 0.0 7 22
448 448 ASP D T T 3 TS- 0 0 -95.4 8.5 -179.1 -101.0 123.6 72.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19
449 449 GLY G S t < TS+ 0 0 86.2 4.7 177.8 132.9 80.6 64.8 446 -2.2 0 0.0 0 0.0 0 0.0 12 28
450 450 ASN N - 0 0 -90.8 148.8 -177.4 -135.9 49.6 124.4 0 0.0 446 -2.7 0 0.0 0 0.0 12 32
451 451 VAL V E E EN - 423 0 -110.0 120.8 178.2 -147.0 3.3 153.9 423 -2.6 423 -3.3 0 0.0 453 -0.9 13 48
452 452 PRO P E E EN - 422 0 -82.9 95.0 -175.2 -168.7 23.9 141.5 0 0.0 0 0.0 0 0.0 0 0.0 12 43
453 453 VAL V E E EN - 421 0 -96.1 118.3 178.9 -133.8 18.6 150.0 421 -3.2 421 -2.9 451 -0.9 0 0.0 9 51
454 454 PRO P E E EN - 420 0 -68.6 119.1 -179.4 -165.0 26.3 124.4 0 0.0 0 0.0 0 0.0 0 0.0 8 41
455 455 MET M E E EN + 419 0 -109.4 143.1 -179.1 137.6 22.8 154.4 419 -3.5 419 -2.0 0 0.0 0 0.0 11 44
456 456 ALA A t > T + 0 0 -176.9 149.6 -179.8 22.3 57.2 156.7 0 0.0 459 -2.1 0 0.0 0 0.0 9 36
457 457 GLY G T T 3 TS- 0 0 59.7 18.1 -177.5 -81.9 113.8 47.3 416 -1.4 0 0.0 0 0.0 0 0.0 12 35
458 458 GLY G T T 3 TS+ 0 0 61.0 18.6 -176.9 164.1 84.3 45.5 0 0.0 0 0.0 0 0.0 0 0.0 15 51
459 459 LEU L t < T - 0 0 -75.1 145.5 172.6 -119.1 39.4 112.5 456 -2.1 0 0.0 0 0.0 0 0.0 13 55
460 460 PRO P - 0 0 -74.1 146.1 -179.8 -152.1 25.0 118.3 0 0.0 0 0.0 0 0.0 0 0.0 13 68
461 461 ARG R E E DM - 408 0 -126.5 129.3 -174.9 -168.0 8.5 174.3 408 -2.5 408 -3.7 0 0.0 0 0.0 11 68
462 462 VAL V E E DM - 407 0 -124.8 112.7 -173.1 -160.1 11.9 171.0 0 0.0 437 -2.4 0 0.0 0 0.0 11 72
463 463 LEU L E E DMP + 406 436 -104.9 142.3 178.5 160.2 17.8 143.0 406 -3.2 406 -1.7 0 0.0 0 0.0 11 68
464 464 TYR Y E E D P - 0 435 -154.4 145.3 -179.6 -83.2 48.6 168.5 435 -1.7 435 -3.1 0 0.0 0 0.0 14 66
465 465 PRO P E E >D P T - 0 434 -55.8 122.9 -178.1 -145.7 29.9 101.5 0 0.0 469 -0.6 0 0.0 0 0.0 11 52
466 466 THR T T e 4 > TS+ 0 0 -57.8 -45.4 -179.5 58.0 98.0 23.1 433 -1.9 469 -1.7 0 0.0 0 0.0 9 42
467 467 GLU E G G 4 > TS+ 0 0 -56.4 -36.6 -179.5 55.9 102.8 31.8 0 0.0 470 -1.1 0 0.0 0 0.0 6 35
468 468 LYS K G G 4 3 TS+ 0 0 -74.2 -12.9 -180.0 68.2 92.3 51.0 0 0.0 0 0.0 0 0.0 0 0.0 7 40
469 469 LEU L G G < X TS+ 0 0 -82.5 1.9 -179.0 137.3 73.1 68.1 466 -1.7 472 -2.4 465 -0.6 0 0.0 10 39
470 470 ALA A T g < TS+ 0 0 -52.4 124.9 177.7 7.0 73.9 108.7 467 -1.1 0 0.0 0 0.0 0 0.0 6 22
471 471 GLY G T T 3 TS+ 0 0 82.3 -3.5 178.3 117.1 104.8 67.5 0 0.0 0 0.0 0 0.0 0 0.0 4 17
472 472 SER S t < T - 0 0 -89.2 171.5 178.0 -131.1 68.9 119.1 469 -2.4 0 0.0 0 0.0 0 0.0 7 26
473 473 LYS K t > T + 0 0 -101.9 8.1 -176.7 120.3 67.5 67.7 0 0.0 476 -1.2 0 0.0 0 0.0 6 28
474 474 ILE I T T 3 TS- 0 0 -75.3 131.2 176.5 -10.7 91.9 121.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
475 475 CYS C T T 3 T 0 0 52.6 33.4 -177.9 999.9 999.9 30.7 0 0.0 0 0.0 0 0.0 0 0.0 5 36
476 476 SER S t < T 0 0 -55.7 999.9 999.9 999.9 999.9 113.5 473 -1.2 0 0.0 0 0.0 0 0.0 4 25
7taa-.pdb
7TAA HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHTT EEEE HHHH TT SS GGG HHHHHHTHHHHHTTT EEEE EEE S BTTB TTS SEEEEEEE TTS HHHH Kabs/Sand
chirality -++++++----+--+++---+-+-++-+--++-+---+--+++++++++++++-+-+------+----+---+---++-+++++-++---++---++++ chirality
bends SSSSSS SSSS SS SS SSS SSSSSSSSSSSSSS S S SS SS S S SSS SSS SSSS bends
turns TTTTTTTT TTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTT TTTT TTTT TTTT TTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >>3<< >33< >>3<< >>3X<3<>>3<< >33< >33< >33< >33< >33< 3-turns
bridge-2 bbb cccc b bridge-2
bridge-1 aaaa aaaa DDD A A D*D***D bridge-1
sheets AAAA AAAA BBB BBBBBBB sheets
4-turns >>44<< >>44<< >>>><<>4<<< >>>>X 4-turns
summary hHHHHhTteEEEEhHHHHhtTTt SS gGGGg hHHHHHHhHHHHHhTTteEEEEe eEEEe S BTTB tTTt eEEEEEEEeTTt hHHHH summary
sequence ATPADWRSQSIYFLLTDRFARTDGSTTATCNTADQKYCGGTWQGIIDKLDYIQGMGFTAIWITPVTAQLPQTTAYGDAYHGYWQQDIYSLNENYGTADDL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHTT EEEEEE SB EEB GGG GGGSBS SGGGB B TT HHHHHHSBEE SSEEE BB TTSHHHHHHHHHHHHHHHHHHT Kabs/Sand
chirality +++++++++-+-------++-----+--+++--+++--+++-+++---+--++-++-++++++--+--++-------++-+++++++++++++++++--- chirality
bends SSSSSSSSSSS S SS SSS SSSSSS SSSSS SS SSSSSSS SS SSS SSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTTT TTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >>3<<>>3<< >>3<< >33< >33X33< >33< 3-turns
bridge-2 eeee dGG bridge-2
bridge-1 cccc C FFd b E f fGG FF CE bridge-1
sheets AAAAAA CC CC CCC sheets
4-turns XXXXXX<<<< >>>><<<< >>>>XXXXXXXXXXXX<<<< 4-turns
summary HHHHHHHHHhTtEEEEEE SB EEegGGGggGGGgBS gGGGB B tTThHHHHHHhBEEeSeEEE BBtTThHHHHHHHHHHHHHHHHHHht summary
sequence KALSSALHERGMYLMVDVVANHMGYDGAGSSVDYSVFKPFSSQDYFHPFCFIQNYEDQTQVEDCWLGDNTVSLPDLDTTKDVVKNEWYDWVGSLVSNYSI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEES GGGS GGGHHHHHHHHTSEEEE S HHHHGGGGGTSSEEB HHHHHHHHHHHSSTT HHHHHHHHHHHHHHSS GGGSEE S TTS Kabs/Sand
chirality -----+++++--++++++++++-+-----+-+-+-++++++++++-----+++++++++++++-++--++++++++++++++---+++--+-++-++--- chirality
bends S SSS SSSSSSSSSSS S S SSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSS SSSS S SSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTT T turns
5-turns >5555< 5-turns
3-turns >>3<<>>3<< >33<>>>X<<< >33< >>3<< >33< > 3-turns
bridge-2 hhhh ii g bridge-2
bridge-1 eeee hhhh iig jj bridge-1
sheets AAAA AAAA AA AA sheets
4-turns >44>X>>XX<<<< >>44<< >444< >>4>XX>XX<<<< >>>>XXXXXXXX<<<< > 4-turns
summary eEEEEegGGGggGGhHHHHHHHHhtEEEEe ShHHHHhGGGGgtSEEehHHHHHHHHHHHhtTTthHHHHHHHHHHHHHHhSgGGGeEE S tTTt h summary
sequence DGLRIDTVKHVQKDFWPGYNKAAGVYCIGEVLDGDPAYTCPYQNVMDGVLNYPIYYPLLNAFKSTSGSMDDLYNMINTVKSDCPDSTLLGTFVENHDNPR sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHH HHHHHHHHHHHHHSSSEEEEETTGGGT STTTT GGGGT SSSHHHHHHHHHHHHHHHHHHH TTGGGS EEEEEETTEEEEEESS Kabs/Sand
chirality +++--+-+++++++++++++-+------++++---+---+++++--+++----++-+++++++++++++++++++-+++++----++++-++----++-- chirality
bends SSSS SSSSSSSSSSSSSSSS SSSSS SSSSS SSSS SSSSSSSSSSSSSSSSSSSSSS SSSSSS SS SS bends
turns TTTTT TTTTTTTTTTTTTTT TTTTTTTT TTTTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT T turns
5-turns >5555< >5555< 5-turns
3-turns >3<< >3>X3<< >3><3< >>><<< >3>X3<< >33< > 3-turns
bridge-2 LLLLLL bridge-2
bridge-1 jjbbb KK*KKK KKKKK bridge-1
sheets AAAAA DDDDDD DDDDDD sheets
4-turns >44<< >>>>XXXXXXX<<<< >>>>XXXXXXXXXXXXX<<<< >444< 4-turns
summary HHHHh hHHHHHHHHHHHHHhSSEEEEEegGGGgt tTTTTt gGGGGgt SShHHHHHHHHHHHHHHHHHHHhTgGGGg EEEEEETeEEEEEESt summary
sequence FASYTNDIALAKNVAAFIILNDGIPIIYAGQEQHYAGGNDPANREATWLSGYPTDSELYKLIASANAIRNYAISKDTGFVTYKNWPIYKDDTTIAMRKGT sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand TTS EEEEEE S TT EEEEE TT EEEETTTTEEEE TTS EEEEE TT EEEEETGGGTT TT Kabs/Sand
chirality +++-------+--++--+-----++-+--++-----++-+------+-+-----++-+----+--++++++-+- chirality
bends SSS S SS SS SSS SSS SS SSSSSS S bends
turns TTT TTTT TTTT TTTTTT TTTT TTTT TTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 33< >33< >33< >33< >33< >>3X<3<>33< 3-turns
bridge-2 MMM PPP PPP bridge-2
bridge-1 LLLLLL NNNNN OOOO OOOO NNNNN MMM bridge-1
sheets DDDDDD EEEEE DDDD DDDD EEEEE DDDDD sheets
4-turns >444< >444< 4-turns
summary TTt EEEEEEeStTTt EEEEE tTTeEEEEeTTTEEEEetTTt EEEEEtTTt EEEEEeGGGgTttTTt summary
sequence DGSQIVTILSNKGASGDSYTLSLSGAGYTAGQQLTEVIGCTTVTVGSDGNVPVPMAGGLPRVLYPTEKLAGSKICS sequence
410 420 430 440 450 460 470