Secondary structure calculation program - copyright by David Keith Smith, 1989
1h8eD.pdb
1H8E ATP PHOSPHORYLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 467
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 D 9 THR T e 0 0 999.9 146.7 -173.4 999.9 999.9 999.9 0 0.0 69 -2.5 0 0.0 0 0.0 7 31
2 D 10 THR T E E AA - 68 0 -119.8 133.6 -178.6 -177.1 999.9 165.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
3 D 11 GLY G E E AA - 67 0 -121.5 179.2 -178.1 -125.7 19.7 122.4 67 -3.6 67 -2.9 0 0.0 0 0.0 12 46
4 D 12 ARG R E E AAB - 66 16 -129.1 135.0 177.7 -114.2 25.7 172.9 16 -2.3 16 -3.1 0 0.0 0 0.0 12 40
5 D 13 ILE I E E A B + 0 15 -66.0 127.8 174.4 173.2 33.8 119.5 65 -2.6 64 -2.2 0 0.0 0 0.0 15 51
6 D 14 VAL V E E A * + 0 0 -108.2 -16.3 179.3 18.6 64.1 56.4 14 -2.8 0 0.0 0 0.0 0 0.0 10 37
7 D 15 ALA A E E A B - 0 14 -152.6 145.4 174.4 -170.6 52.2 167.5 14 -1.5 14 -2.1 0 0.0 0 0.0 8 38
8 D 16 VAL V E E A B + 0 13 -136.1 116.4 175.1 161.7 14.4 168.8 0 0.0 0 0.0 0 0.0 0 0.0 13 41
9 D 17 ILE I E E A B> T - 0 12 -135.1 98.5 -173.7 -62.4 69.3 155.5 12 -2.3 12 -2.1 0 0.0 0 0.0 7 35
10 D 18 GLY G T T 3 TS- 0 0 63.6 -127.6 -177.4 -12.1 118.7 109.4 0 0.0 0 0.0 0 0.0 0 0.0 6 38
11 D 19 ALA A T e 3 TS+ 0 0 -78.7 -13.5 -175.5 89.0 118.1 62.4 0 0.0 54 -2.6 0 0.0 13 -0.6 14 49
12 D 20 VAL V E E ABC< T - 9 53 -96.7 123.0 -177.8 -175.2 54.9 151.4 9 -2.1 9 -2.3 0 0.0 0 0.0 13 56
13 D 21 VAL V E E ABC - 8 52 -123.2 124.9 177.0 -148.9 14.8 161.3 52 -1.4 52 -2.0 11 -0.6 0 0.0 15 60
14 D 22 ASP D E E ABC - 7 51 -92.7 134.0 -178.2 -168.5 18.5 148.5 7 -2.1 6 -2.8 0 0.0 7 -1.5 12 57
15 D 23 VAL V E E ABC - 5 50 -127.3 132.3 179.4 -146.9 10.5 166.9 50 -2.4 50 -2.5 0 0.0 0 0.0 14 58
16 D 24 GLN Q E E ABC - 4 49 -104.2 132.0 179.9 -167.0 9.7 141.9 4 -3.1 4 -2.3 0 0.0 0 0.0 11 45
17 D 25 PHE F e - 0 0 -116.2 123.2 179.8 -163.6 11.4 172.0 48 -2.3 0 0.0 0 0.0 0 0.0 12 43
18 D 26 ASP D S S S+ 0 0 -76.4 -27.6 -178.4 24.3 83.0 41.1 0 0.0 0 0.0 0 0.0 0 0.0 7 26
19 D 27 GLU E S S S+ 0 0 -143.5 112.0 178.1 0.9 121.9 156.5 0 0.0 0 0.0 0 0.0 0 0.0 5 23
20 D 28 GLY G - 0 0 79.8 102.4 177.6 -130.4 68.4 33.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
21 D 29 LEU L - 0 0 -84.9 138.3 173.1 -117.2 21.9 132.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
22 D 30 PRO P - 0 0 -67.7 135.9 173.7 -112.5 36.4 117.6 0 0.0 0 0.0 0 0.0 0 0.0 9 45
23 D 31 PRO P t > T - 0 0 -64.2 154.9 174.9 -79.4 42.6 108.0 0 0.0 26 -2.0 0 0.0 0 0.0 6 38
24 D 32 ILE I T T 3 TS+ 0 0 -56.4 132.9 -177.8 26.6 118.9 106.1 0 0.0 0 0.0 0 0.0 0 0.0 9 40
25 D 33 LEU L T T 3 TS+ 0 0 94.5 -16.4 -179.3 133.4 87.7 83.3 41 -2.7 0 0.0 0 0.0 0 0.0 10 46
26 D 34 ASN N e < T - 0 0 -63.8 146.1 174.4 -123.8 57.0 112.3 23 -2.0 41 -2.4 0 0.0 0 0.0 14 50
27 D 35 ALA A E E AD - 40 0 -91.1 127.7 177.3 -160.7 24.0 141.9 72 -2.7 70 -2.0 0 0.0 0 0.0 14 55
28 D 36 LEU L E E ADE - 39 69 -104.3 146.7 -176.5 -136.2 11.6 138.2 39 -3.0 39 -2.0 0 0.0 30 -0.5 12 57
29 D 37 GLU E E E ADE - 38 68 -112.0 122.0 -177.0 -136.3 13.2 164.4 68 -3.2 68 -2.7 0 0.0 0 0.0 12 49
30 D 38 VAL V E E A E - 0 67 -77.8 129.2 -178.6 -139.5 21.1 123.4 37 -2.4 0 0.0 28 -0.5 0 0.0 13 54
31 D 39 GLN Q S e S+ 0 0 -87.1 158.4 178.7 35.1 76.0 128.6 66 -3.1 0 0.0 0 0.0 0 0.0 8 34
32 D 40 GLY G S S S+ 0 0 73.2 36.4 177.5 124.0 84.0 34.1 0 0.0 0 0.0 0 0.0 0 0.0 6 27
33 D 41 ARG R - 0 0 -124.6 147.2 176.3 -135.1 62.0 163.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26
34 D 42 GLU E S S S+ 0 0 -68.5 -33.1 179.6 32.9 94.6 39.9 0 0.0 0 0.0 0 0.0 0 0.0 4 16
35 D 43 THR T S S S- 0 0 -127.4 144.6 -176.0 -83.3 105.5 173.1 0 0.0 0 0.0 0 0.0 0 0.0 4 27
36 D 44 ARG R - 0 0 -48.0 122.8 173.6 -169.0 42.8 95.6 0 0.0 38 -0.5 0 0.0 0 0.0 7 38
37 D 45 LEU L e - 0 0 -117.8 113.2 179.9 -163.1 5.1 167.9 0 0.0 30 -2.4 0 0.0 0 0.0 10 51
38 D 46 VAL V E E AD - 29 0 -97.8 139.7 174.5 -161.1 5.9 143.6 36 -0.5 55 -2.4 0 0.0 0 0.0 12 67
39 D 47 LEU L E E ADF - 28 54 -118.0 124.3 -178.6 -148.0 11.0 169.4 28 -2.0 28 -3.0 0 0.0 41 -0.6 13 74
40 D 48 GLU E E E ADF - 27 53 -98.2 125.7 -179.4 -122.4 19.7 148.9 53 -3.1 53 -2.2 0 0.0 0 0.0 15 64
41 D 49 VAL V E E A F + 0 52 -66.3 130.3 -177.0 167.2 37.1 117.2 26 -2.4 25 -2.7 39 -0.6 0 0.0 15 59
42 D 50 ALA A E E A * + 0 0 -115.3 -29.9 -179.5 0.4 58.9 39.8 51 -3.0 0 0.0 0 0.0 0 0.0 10 50
43 D 51 GLN Q E E A F - 0 51 -157.2 158.2 168.8 -125.9 54.2 169.5 51 -1.5 51 -2.4 0 0.0 45 -0.6 8 37
44 D 52 HIS H E E A F - 0 50 -103.6 114.2 -176.9 -172.1 26.1 163.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
45 D 53 LEU L E E A * - 0 0 -82.1 -14.3 -170.5 -107.5 40.7 53.4 49 -2.3 0 0.0 43 -0.6 0 0.0 8 30
46 D 54 GLY G E E A F> TS+ 0 49 106.4 176.0 179.4 73.5 95.0 120.0 49 -0.8 49 -2.8 0 0.0 0 0.0 6 25
47 D 55 GLU E T T 3 TS- 0 0 43.0 50.0 -178.7 -66.8 127.4 29.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
48 D 56 SER S T e 3 TS+ 0 0 43.3 31.6 176.2 128.2 105.3 50.4 0 0.0 17 -2.3 0 0.0 0 0.0 10 31
49 D 57 THR T E E ACF< T - 16 46 -116.7 138.4 177.6 -162.3 41.1 150.5 46 -2.8 45 -2.3 0 0.0 46 -0.8 12 44
50 D 58 VAL V E E ACF - 15 44 -112.5 147.3 175.4 -138.0 13.2 151.1 15 -2.5 15 -2.4 0 0.0 0 0.0 15 50
51 D 59 ARG R E E ACF - 14 43 -102.4 137.4 -177.1 -177.0 30.1 154.0 43 -2.4 42 -3.0 0 0.0 43 -1.5 14 53
52 D 60 THR T E E ACF - 13 41 -132.9 165.8 173.4 -129.0 26.9 152.6 13 -2.0 13 -1.4 0 0.0 0 0.0 13 67
53 D 61 ILE I E E ACF - 12 40 -113.8 132.4 -177.7 -129.1 29.7 163.5 40 -2.2 40 -3.1 0 0.0 0 0.0 12 66
54 D 62 ALA A E E A F - 0 39 -83.3 143.7 -178.6 -152.9 5.3 119.5 11 -2.6 0 0.0 0 0.0 0 0.0 17 65
55 D 63 MET M S e S+ 0 0 -94.8 1.0 179.5 16.7 81.4 66.5 38 -2.4 0 0.0 0 0.0 0 0.0 14 67
56 D 64 ASP D S S S- 0 0 -158.2 -179.2 -173.7 -42.2 108.6 148.3 0 0.0 0 0.0 0 0.0 0 0.0 11 51
57 D 65 GLY G - 0 0 -57.1 148.1 177.7 -154.3 36.8 101.5 0 0.0 0 0.0 0 0.0 0 0.0 7 41
58 D 66 THR T t > T + 0 0 -101.1 2.5 178.8 127.5 51.0 68.2 0 0.0 61 -1.6 0 0.0 0 0.0 9 45
59 D 67 GLU E T T 3 TS+ 0 0 -62.1 137.1 176.8 23.6 71.6 109.5 0 0.0 0 0.0 0 0.0 0 0.0 4 32
60 D 68 GLY G T T 3 TS+ 0 0 89.4 0.6 179.7 135.8 86.5 61.5 0 0.0 0 0.0 0 0.0 0 0.0 4 28
61 D 69 LEU L t < T - 0 0 -76.6 153.0 -177.1 -155.8 38.5 126.5 58 -1.6 0 0.0 0 0.0 0 0.0 7 39
62 D 70 VAL V t > T - 0 0 -130.8 148.4 177.7 -103.8 24.2 158.2 0 0.0 65 -1.9 0 0.0 0 0.0 7 30
63 D 71 ARG R T T 3 TS+ 0 0 -70.5 120.8 -176.9 30.3 113.5 125.4 0 0.0 0 0.0 0 0.0 0 0.0 9 28
64 D 72 GLY G T T 3 TS+ 0 0 113.1 -15.3 178.5 139.4 85.1 82.5 5 -2.2 0 0.0 0 0.0 0 0.0 7 26
65 D 73 GLN Q e < T - 0 0 -62.1 139.4 -178.3 -112.0 55.8 109.5 62 -1.9 5 -2.6 0 0.0 0 0.0 11 34
66 D 74 LYS K E E AA - 4 0 -81.5 148.9 178.3 -166.6 28.8 120.9 0 0.0 31 -3.1 0 0.0 0 0.0 11 40
67 D 75 VAL V E E AAE - 3 30 -132.6 133.2 178.5 -148.0 8.7 172.4 3 -2.9 3 -3.6 0 0.0 0 0.0 13 52
68 D 76 LEU L E E AAE - 2 29 -102.5 132.9 174.5 -131.8 14.7 152.6 29 -2.7 29 -3.2 0 0.0 70 -0.5 11 44
69 D 77 ASP D E E A E - 0 28 -79.5 120.1 -179.5 -157.8 11.0 130.6 1 -2.5 0 0.0 0 0.0 0 0.0 13 47
70 D 78 SER S e - 0 0 -75.0 -16.7 180.0 -121.7 34.6 49.6 27 -2.0 0 0.0 68 -0.5 0 0.0 9 35
71 D 79 GLY G S S S+ 0 0 87.4 12.7 178.0 49.6 81.4 59.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
72 D 80 ALA A S S S- 0 0 -163.8 168.8 171.4 -84.8 89.8 165.5 0 0.0 27 -2.7 0 0.0 0 0.0 10 31
73 D 81 PRO P S S S- 0 0 -67.6 170.9 175.1 -60.3 75.2 95.0 0 0.0 0 0.0 0 0.0 0 0.0 12 45
74 D 82 ILE I e - 0 0 -54.7 126.3 179.5 -163.2 61.6 111.6 0 0.0 108 -2.3 0 0.0 0 0.0 11 56
75 D 83 ARG R E E BG - 107 0 -119.8 139.1 -173.9 -174.8 8.1 160.7 0 0.0 0 0.0 0 0.0 0 0.0 11 51
76 D 84 ILE I E E BG - 106 0 -130.7 162.5 176.3 -85.7 34.0 151.9 106 -2.3 106 -2.9 0 0.0 0 0.0 12 57
77 D 85 PRO P E E BG - 105 0 -66.2 133.1 171.8 -179.6 45.3 116.2 0 0.0 0 0.0 0 0.0 0 0.0 14 49
78 D 86 VAL V E E BG + 104 0 -130.3 157.6 -179.2 61.8 33.9 154.6 104 -2.0 104 -0.6 0 0.0 0 0.0 13 54
79 D 87 GLY G S g > TS- 0 0 120.7 178.1 -177.7 -45.1 98.7 121.4 0 0.0 82 -2.2 0 0.0 0 0.0 12 51
80 D 88 PRO P G G > TS+ 0 0 -58.1 -27.7 -178.5 71.5 121.4 44.1 0 0.0 83 -1.8 0 0.0 0 0.0 6 48
81 D 89 GLU E G G 3 TS+ 0 0 -70.7 -8.8 176.9 65.7 87.6 50.0 0 0.0 0 0.0 0 0.0 0 0.0 10 47
82 D 90 THR T G G X TS+ 0 0 -84.3 -8.5 -178.4 107.1 79.0 52.6 79 -2.2 85 -1.5 0 0.0 0 0.0 13 61
83 D 91 LEU L T g < TS+ 0 0 -77.0 134.8 -177.5 11.4 87.1 118.1 80 -1.8 0 0.0 0 0.0 0 0.0 13 61
84 D 92 GLY G T T 3 TS+ 0 0 83.2 -5.3 -179.8 107.8 111.2 66.5 207 -2.9 0 0.0 0 0.0 0 0.0 14 59
85 D 93 ARG R e < T - 0 0 -102.2 165.5 172.8 -137.4 62.9 124.7 82 -1.5 209 -2.3 0 0.0 0 0.0 11 60
86 D 94 ILE I E E Ch - 209 0 -121.9 123.0 179.5 -178.4 24.3 174.0 0 0.0 94 -2.6 0 0.0 95 -0.5 12 61
87 D 95 MET M E E ChA - 210 93 -113.1 154.7 171.8 -136.2 17.0 146.4 209 -1.7 211 -2.2 0 0.0 0 0.0 13 62
88 D 96 ASN N t > T - 0 0 -99.2 -173.0 -177.7 -74.0 47.6 104.7 92 -2.2 91 -2.0 0 0.0 0 0.0 12 65
89 D 97 VAL V T T 3 TS+ 0 0 -54.1 -35.7 -176.4 45.2 133.0 37.8 0 0.0 0 0.0 0 0.0 0 0.0 14 68
90 D 98 ILE I T T 3 TS- 0 0 -100.9 22.3 174.4 -102.5 121.4 74.4 0 0.0 0 0.0 0 0.0 0 0.0 12 67
91 D 99 GLY G S t < TS+ 0 0 78.5 12.0 175.7 140.9 73.0 53.8 88 -2.0 0 0.0 0 0.0 0 0.0 10 63
92 D 100 GLU E - 0 0 -82.7 145.8 173.1 -108.3 58.0 135.2 0 0.0 88 -2.2 0 0.0 0 0.0 10 47
93 D 101 PRO P B B A + 87 0 -68.2 136.7 -179.1 178.4 33.5 114.7 0 0.0 0 0.0 0 0.0 0 0.0 13 38
94 D 102 ILE I + 0 0 -131.1 22.8 176.7 82.7 65.7 84.2 86 -2.6 0 0.0 0 0.0 0 0.0 8 36
95 D 103 ASP D S S S- 0 0 -108.0 9.1 178.7 -123.0 97.4 76.9 86 -0.5 0 0.0 0 0.0 0 0.0 8 37
96 D 104 GLU E S S S+ 0 0 54.3 29.9 178.0 118.1 80.0 39.3 0 0.0 0 0.0 0 0.0 0 0.0 5 20
97 D 105 ARG R S S S- 0 0 -111.4 20.5 177.3 -117.3 74.4 89.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
98 D 106 GLY G - 0 0 80.1 -169.0 -173.0 -0.1 60.4 95.0 0 0.0 0 0.0 0 0.0 0 0.0 6 22
99 D 107 PRO P - 0 0 -57.2 146.0 176.5 -130.6 57.1 95.8 0 0.0 101 -1.1 0 0.0 0 0.0 6 28
100 D 108 ILE I - 0 0 -97.9 94.6 -174.1 -157.4 25.1 143.8 0 0.0 102 -2.0 0 0.0 0 0.0 10 37
101 D 109 LYS K + 0 0 -79.8 80.0 175.3 158.0 28.2 122.4 99 -1.1 0 0.0 0 0.0 0 0.0 6 26
102 D 110 THR T - 0 0 -92.6 166.7 178.9 -133.6 45.4 128.7 100 -2.0 0 0.0 0 0.0 0 0.0 11 30
103 D 111 LYS K S S S+ 0 0 -88.9 -33.1 178.8 30.3 85.2 29.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
104 D 112 GLN Q E E BG - 78 0 -132.7 164.9 -179.8 -150.7 61.6 145.3 78 -0.6 78 -2.0 0 0.0 0 0.0 7 27
105 D 113 PHE F E E BG - 77 0 -119.7 160.0 177.0 -150.4 12.2 146.3 0 0.0 0 0.0 0 0.0 0 0.0 9 39
106 D 114 ALA A E E BG - 76 0 -141.3 140.8 177.0 -118.6 19.6 174.9 76 -2.9 76 -2.3 0 0.0 0 0.0 9 46
107 D 115 ALA A E E BG - 75 0 -65.4 142.8 179.4 -137.0 22.9 121.4 0 0.0 0 0.0 0 0.0 0 0.0 11 44
108 D 116 ILE I S e S+ 0 0 -80.9 -8.3 176.2 70.1 88.5 52.2 74 -2.3 0 0.0 0 0.0 0 0.0 12 56
109 D 117 HIS H + 0 0 -106.7 133.1 -179.1 150.5 65.1 155.0 0 0.0 0 0.0 0 0.0 0 0.0 8 50
110 D 118 ALA A - 0 0 -157.0 157.6 176.8 -92.7 47.2 162.5 0 0.0 0 0.0 0 0.0 0 0.0 6 40
111 D 119 GLU E - 0 0 -69.7 149.2 179.4 -109.2 46.5 115.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
112 D 120 ALA A - 0 0 -80.3 153.4 176.8 -87.6 44.2 129.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36
113 D 121 PRO P - 0 0 -55.0 143.5 -177.7 -110.9 52.6 101.8 0 0.0 0 0.0 0 0.0 0 0.0 9 33
114 D 122 GLU E g > T - 0 0 -76.4 165.3 176.3 -102.9 24.5 108.4 0 0.0 117 -1.9 0 0.0 0 0.0 6 24
115 D 123 PHE F G G > TS+ 0 0 -54.0 -40.5 -179.0 61.8 119.7 35.4 0 0.0 118 -2.0 0 0.0 0 0.0 5 18
116 D 124 VAL V G G 3 TS+ 0 0 -65.7 -15.9 178.1 58.6 98.8 45.7 0 0.0 0 0.0 0 0.0 0 0.0 4 17
117 D 125 GLU E G G < TS+ 0 0 -90.2 -0.3 -175.4 118.2 81.0 66.1 114 -1.9 292 -1.3 0 0.0 0 0.0 9 26
118 D 126 MET M g < T - 0 0 -71.7 154.6 176.3 -153.6 49.1 107.2 115 -2.0 0 0.0 0 0.0 0 0.0 10 29
119 D 127 SER S - 0 0 -121.2 135.5 -179.4 -167.9 9.6 170.9 0 0.0 0 0.0 0 0.0 0 0.0 7 32
120 D 128 VAL V + 0 0 -105.9 6.1 -179.7 129.3 43.0 67.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
121 D 129 GLU E - 0 0 -63.8 135.8 180.0 -176.9 33.8 110.8 0 0.0 0 0.0 0 0.0 0 0.0 4 30
122 D 130 GLN Q + 0 0 -141.7 116.5 177.4 166.2 10.4 154.8 0 0.0 0 0.0 0 0.0 0 0.0 9 39
123 D 131 GLU E e - 0 0 -129.1 137.3 -179.4 -99.4 42.5 169.5 0 0.0 140 -2.8 0 0.0 0 0.0 7 36
124 D 132 ILE I E E DI - 139 0 -55.3 139.1 174.8 -153.5 24.5 96.1 0 0.0 126 -0.6 0 0.0 0 0.0 10 46
125 D 133 LEU L E E DI - 138 0 -116.4 97.6 -177.6 -146.1 17.9 159.3 138 -2.7 138 -0.6 0 0.0 0 0.0 8 54
126 D 134 VAL V - 0 0 -69.9 132.9 -178.5 -178.3 19.1 120.3 124 -0.6 0 0.0 0 0.0 0 0.0 9 48
127 D 135 THR T - 0 0 -108.9 -18.3 -178.9 -121.4 38.2 55.6 0 0.0 0 0.0 0 0.0 0 0.0 10 58
128 D 136 GLY G S S S+ 0 0 89.4 -6.5 177.2 122.5 76.0 65.3 0 0.0 424 -2.4 0 0.0 130 -0.7 10 52
129 D 137 ILE I h > T - 0 0 -92.5 115.6 -175.5 -147.0 57.9 148.7 0 0.0 133 -2.7 0 0.0 0 0.0 9 65
130 D 138 LYS K H H > TS+ 0 0 -48.6 -60.7 -170.7 44.7 90.3 31.4 128 -0.7 134 -2.6 0 0.0 0 0.0 12 65
131 D 139 VAL V H H > >TS+ 0 0 -59.8 -43.4 177.6 43.6 117.5 29.2 406 -0.5 135 -2.0 0 0.0 136 -0.5 11 77
132 D 140 VAL V H H > 5TS+ 0 0 -62.9 -50.4 -174.3 47.8 115.2 24.4 0 0.0 136 -1.4 0 0.0 0 0.0 11 75
133 D 141 ASP D H H < 5TS+ 0 0 -64.9 -38.8 178.7 41.2 118.8 25.7 129 -2.7 0 0.0 0 0.0 0 0.0 14 69
134 D 142 LEU L H H < 5TS+ 0 0 -68.3 -65.4 -170.3 18.6 129.1 11.0 130 -2.6 0 0.0 0 0.0 0 0.0 12 71
135 D 143 LEU L H H < 5TS+ 0 0 -84.9 -33.2 -173.5 14.2 135.7 43.7 131 -2.0 0 0.0 0 0.0 0 0.0 13 69
136 D 144 ALA A S h < T - 124 0 -121.7 143.2 173.9 -109.5 19.1 163.8 0 0.0 142 -2.4 0 0.0 0 0.0 14 54
140 D 148 LYS K T e 3 TS+ 0 0 -61.4 127.5 179.8 11.9 108.1 108.5 123 -2.8 0 0.0 0 0.0 0 0.0 9 57
141 D 149 GLY G T T 3 TS+ 0 0 80.6 2.3 -178.0 120.5 108.2 57.1 0 0.0 290 -0.5 0 0.0 0 0.0 11 59
142 D 150 GLY G e < T - 0 0 -95.6 175.8 174.1 -101.2 69.2 116.5 139 -2.4 298 -2.4 0 0.0 144 -0.6 15 55
143 D 151 LYS K E E Cj - 298 0 -101.2 122.1 177.0 -170.4 36.2 147.1 0 0.0 322 -3.2 0 0.0 323 -1.8 14 62
144 D 152 ILE I E E Cjk - 299 323 -111.1 134.7 178.9 -167.6 2.8 154.6 298 -3.2 300 -2.9 142 -0.6 0 0.0 14 68
145 D 153 GLY G E E Cjk - 300 324 -127.5 135.7 177.0 -158.8 10.0 169.8 323 -2.0 325 -2.6 0 0.0 147 -0.6 13 65
146 D 154 LEU L E E Cjk - 301 325 -113.7 102.0 -176.8 -164.7 18.0 153.8 300 -3.2 302 -3.0 0 0.0 0 0.0 13 73
147 D 155 PHE F E E Cjk + 302 326 -89.3 135.9 172.5 139.2 21.8 126.4 325 -1.9 327 -2.8 145 -0.6 0 0.0 14 69
148 D 156 GLY G E E Cj - 303 0 -174.9 148.2 178.8 -119.8 43.9 142.8 302 -1.8 304 -1.0 0 0.0 0 0.0 16 55
149 D 157 GLY G S t > TS- 0 0 -73.3 -175.3 -172.9 -45.4 70.2 86.7 0 0.0 152 -1.2 0 0.0 0 0.0 14 46
150 D 158 ALA A T T 3 TS- 0 0 -68.6 125.2 174.8 -5.9 121.3 110.8 0 0.0 0 0.0 0 0.0 0 0.0 9 39
151 D 159 GLY G T T 3 TS+ 0 0 74.7 26.0 -176.7 121.2 91.4 40.3 0 0.0 0 0.0 0 0.0 0 0.0 6 41
152 D 160 VAL V S t < TS- 0 0 -103.1 -5.1 175.8 -77.5 88.7 60.2 149 -1.2 0 0.0 0 0.0 0 0.0 11 44
153 D 161 GLY G S h > TS+ 0 0 129.8 8.8 -179.1 128.9 82.1 55.9 0 0.0 157 -2.2 0 0.0 0 0.0 10 57
154 D 162 LYS K H H > TS+ 0 0 -59.1 -49.9 -176.4 40.3 84.6 21.7 0 0.0 158 -2.6 0 0.0 0 0.0 13 58
155 D 163 THR T H H > TS+ 0 0 -71.3 -40.2 177.7 52.9 112.7 22.9 0 0.0 159 -2.4 0 0.0 0 0.0 8 60
156 D 164 VAL V H H > TS+ 0 0 -57.6 -38.7 -177.7 49.0 112.3 18.2 0 0.0 160 -1.7 0 0.0 0 0.0 9 59
157 D 165 LEU L H H X TS+ 0 0 -66.3 -41.6 179.5 48.5 110.7 17.0 153 -2.2 161 -2.3 0 0.0 0 0.0 9 67
158 D 166 ILE I H H X TS+ 0 0 -64.1 -40.1 -178.4 49.8 110.9 24.7 154 -2.6 162 -2.6 0 0.0 0 0.0 11 64
159 D 167 MET M H H X TS+ 0 0 -68.4 -29.3 176.7 54.1 109.2 38.8 155 -2.4 163 -1.7 0 0.0 0 0.0 9 61
160 D 168 GLU E H H X TS+ 0 0 -68.4 -43.5 180.0 46.4 109.6 24.5 156 -1.7 164 -3.1 0 0.0 0 0.0 11 59
161 D 169 LEU L H H X >TS+ 0 0 -66.2 -42.6 175.0 51.0 111.2 24.3 157 -2.3 165 -3.2 0 0.0 166 -1.1 10 61
162 D 170 ILE I H H < >TS+ 0 0 -60.3 -38.1 176.9 46.3 114.3 23.3 158 -2.6 167 -1.4 0 0.0 0 0.0 9 63
163 D 171 ASN N H H < 5TS+ 0 0 -70.0 -40.8 -176.4 37.7 120.8 18.8 159 -1.7 0 0.0 0 0.0 0 0.0 9 51
164 D 172 ASN N H H < 5TS+ 0 0 -82.9 -35.5 -175.9 13.8 133.6 42.4 160 -3.1 0 0.0 0 0.0 0 0.0 10 46
165 D 173 VAL V T h X 5TS+ 0 0 -110.7 -40.2 -173.6 52.0 122.3 43.1 161 -3.2 169 -0.5 0 0.0 0 0.0 9 55
166 D 174 ALA A T T 4 > T - 0 0 -80.8 128.3 174.2 -150.5 30.1 133.4 0 0.0 185 -1.2 0 0.0 184 -0.8 8 37
182 D 190 THR T H H > > TS+ 0 0 -57.4 -39.4 179.0 63.5 100.1 26.3 0 0.0 186 -2.2 0 0.0 185 -0.5 9 36
183 D 191 ARG R H H > 3 TS+ 0 0 -50.7 -44.3 -179.5 50.5 100.3 28.7 0 0.0 187 -2.5 0 0.0 0 0.0 6 23
184 D 192 GLU E H H > < TS+ 0 0 -66.1 -32.7 178.3 56.5 105.6 39.1 181 -0.8 188 -2.4 0 0.0 0 0.0 8 41
185 D 193 GLY G H H X < TS+ 0 0 -64.7 -39.6 178.4 44.2 110.8 21.8 181 -1.2 189 -2.2 182 -0.5 0 0.0 10 47
186 D 194 ASN N H H X TS+ 0 0 -71.8 -38.6 178.4 50.7 113.7 19.3 182 -2.2 190 -2.1 0 0.0 0 0.0 8 37
187 D 195 ASP D H H X TS+ 0 0 -60.5 -47.3 -173.6 45.5 113.3 22.8 183 -2.5 191 -1.5 0 0.0 0 0.0 8 35
188 D 196 LEU L H H X TS+ 0 0 -63.9 -49.8 -179.9 51.3 110.6 29.4 184 -2.4 192 -2.1 0 0.0 0 0.0 8 52
189 D 197 TYR Y H H X TS+ 0 0 -54.5 -51.2 179.5 47.2 111.7 25.1 185 -2.2 193 -1.7 0 0.0 0 0.0 9 46
190 D 198 HIS H H H X TS+ 0 0 -65.2 -30.8 175.4 51.7 110.9 33.5 186 -2.1 194 -1.9 0 0.0 0 0.0 8 29
191 D 199 GLU E H H X TS+ 0 0 -71.1 -37.5 177.2 49.9 110.0 26.7 187 -1.5 195 -2.6 0 0.0 0 0.0 8 35
192 D 200 MET M H H < >TS+ 0 0 -70.5 -31.6 174.1 50.3 109.9 39.9 188 -2.1 198 -2.5 0 0.0 197 -0.6 10 45
193 D 201 ILE I H H < 5TS+ 0 0 -71.9 -35.3 179.5 47.0 113.4 29.1 189 -1.7 0 0.0 0 0.0 0 0.0 11 33
194 D 202 GLU E H H < 5TS+ 0 0 -74.7 -40.0 179.8 46.1 113.0 26.0 190 -1.9 0 0.0 0 0.0 0 0.0 8 22
195 D 203 SER S T h < 5TS- 0 0 -77.2 -11.2 -179.5 -123.3 110.3 54.2 191 -2.6 0 0.0 0 0.0 0 0.0 7 31
196 D 204 GLY G T T 5TS+ 0 0 80.3 7.1 174.5 120.0 80.7 63.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32
197 D 205 VAL V S t T - 0 0 -88.0 -173.0 -174.4 -78.5 42.1 86.5 0 0.0 216 -2.5 0 0.0 0 0.0 12 51
214 D 222 MET M T T 3 TS+ 0 0 -74.3 7.0 168.0 68.1 121.0 62.3 180 -2.9 0 0.0 0 0.0 0 0.0 11 43
215 D 223 ASN N T T 3 TS+ 0 0 -90.0 -9.2 -176.1 93.3 88.9 52.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
216 D 224 GLU E S t < TS- 0 0 -89.3 153.6 179.9 -107.9 82.9 120.3 213 -2.5 0 0.0 0 0.0 0 0.0 10 47
217 D 225 PRO P h > > T - 0 0 -70.3 159.2 -174.5 -98.1 40.7 100.9 0 0.0 221 -1.6 0 0.0 220 -0.9 12 49
218 D 226 PRO P H H > 3 TS+ 0 0 -52.0 -39.7 -176.1 60.9 118.1 33.2 0 0.0 222 -2.9 0 0.0 0 0.0 13 55
219 D 227 GLY G H H > 3 TS+ 0 0 -60.0 -38.3 -176.2 45.2 108.1 23.6 0 0.0 223 -0.8 0 0.0 0 0.0 13 61
220 D 228 ALA A H H > < TS+ 0 0 -72.1 -39.1 -177.2 48.5 113.2 27.7 217 -0.9 224 -2.2 0 0.0 0 0.0 13 65
221 D 229 ARG R H H < TS+ 0 0 -70.0 -26.6 178.4 56.3 109.3 32.3 217 -1.6 0 0.0 0 0.0 0 0.0 17 60
222 D 230 ALA A H H < TS+ 0 0 -77.1 -18.1 -179.8 27.0 119.7 42.8 218 -2.9 0 0.0 0 0.0 0 0.0 13 70
223 D 231 ARG R H H X > TS+ 0 0 -115.5 -19.1 -173.6 86.0 94.7 50.8 219 -0.8 227 -1.6 0 0.0 226 -0.8 10 74
224 D 232 VAL V H H X 3 TS+ 0 0 -60.6 -26.0 175.3 57.4 88.5 33.8 220 -2.2 228 -2.1 0 0.0 0 0.0 17 75
225 D 233 ALA A H H > 3 TS+ 0 0 -69.0 -31.5 178.6 52.3 104.6 23.3 0 0.0 229 -2.6 0 0.0 0 0.0 15 72
226 D 234 LEU L H H > < TS+ 0 0 -69.3 -38.5 179.0 51.7 107.6 26.8 223 -0.8 230 -1.9 0 0.0 0 0.0 10 73
227 D 235 THR T H H X TS+ 0 0 -62.0 -42.8 -178.1 45.4 112.1 21.1 223 -1.6 231 -1.9 0 0.0 0 0.0 14 69
228 D 236 GLY G H H X TS+ 0 0 -66.6 -43.4 175.4 51.3 112.9 19.3 224 -2.1 232 -2.0 0 0.0 0 0.0 13 75
229 D 237 LEU L H H X TS+ 0 0 -55.3 -42.4 178.8 54.9 106.8 34.2 225 -2.6 233 -2.1 0 0.0 0 0.0 13 77
230 D 238 THR T H H X TS+ 0 0 -64.8 -42.6 172.8 51.3 105.3 23.6 226 -1.9 234 -1.8 0 0.0 0 0.0 12 66
231 D 239 VAL V H H X TS+ 0 0 -57.8 -48.3 -179.3 47.1 112.5 19.7 227 -1.9 235 -1.4 0 0.0 0 0.0 14 75
232 D 240 ALA A H H X TS+ 0 0 -64.8 -40.3 176.1 57.1 106.8 32.1 228 -2.0 236 -2.0 0 0.0 0 0.0 12 75
233 D 241 GLU E H H X >TS+ 0 0 -56.1 -47.4 176.6 54.0 103.0 27.8 229 -2.1 237 -2.8 0 0.0 238 -0.5 10 67
234 D 242 TYR Y H H < 5TS+ 0 0 -52.7 -48.1 -179.6 46.9 110.7 25.8 230 -1.8 0 0.0 0 0.0 0 0.0 11 56
235 D 243 PHE F H H < 5TS+ 0 0 -65.3 -33.0 -178.7 49.4 113.2 33.1 231 -1.4 241 -2.0 0 0.0 0 0.0 14 56
236 D 244 ARG R H H < 5TS+ 0 0 -69.4 -46.7 -169.4 11.3 130.8 25.0 232 -2.0 0 0.0 0 0.0 0 0.0 16 49
237 D 245 ASP D T h < >5TS+ 0 0 -100.1 -64.0 -176.6 54.3 121.9 26.3 233 -2.8 240 -1.5 0 0.0 0 0.0 10 43
238 D 246 GLN Q T T 3 T + 0 0 -133.5 129.2 -170.7 173.2 57.0 59.0 0 0.0 252 -1.4 0 0.0 0 0.0 13 69
250 D 258 ILE I T h > > TS+ 0 0 -64.9 -23.4 177.9 70.7 81.5 40.4 301 -2.0 253 -1.4 0 0.0 254 -0.8 13 75
251 D 259 PHE F H H > > TS+ 0 0 -59.0 -31.1 -177.0 71.9 84.9 30.6 0 0.0 255 -2.6 0 0.0 254 -0.6 12 68
252 D 260 ARG R H H > < TS+ 0 0 -62.4 -16.8 174.0 58.2 90.5 33.4 249 -1.4 256 -2.1 0 0.0 0 0.0 13 65
253 D 261 PHE F H H > < TS+ 0 0 -71.5 -47.1 176.5 41.2 110.9 27.6 250 -1.4 257 -1.4 0 0.0 0 0.0 14 66
254 D 262 THR T H H X < TS+ 0 0 -66.2 -44.3 179.0 51.4 114.1 25.4 250 -0.8 258 -1.8 251 -0.6 0 0.0 12 60
255 D 263 GLN Q H H X TS+ 0 0 -64.6 -41.9 177.3 54.3 106.4 25.4 251 -2.6 259 -1.6 0 0.0 0 0.0 9 56
256 D 264 ALA A H H X TS+ 0 0 -57.7 -41.4 177.5 50.7 108.3 23.2 252 -2.1 260 -0.8 0 0.0 0 0.0 12 55
257 D 265 GLY G H H X > TS+ 0 0 -63.3 -36.2 -179.1 53.8 107.1 27.7 253 -1.4 261 -1.0 0 0.0 260 -0.8 12 58
258 D 266 SER S H H < 3 TS+ 0 0 -72.4 -21.5 178.2 60.5 101.5 38.3 254 -1.8 0 0.0 0 0.0 0 0.0 11 48
259 D 267 GLU E H H < 3 TS+ 0 0 -72.5 -28.1 -178.0 31.3 115.2 41.2 255 -1.6 0 0.0 0 0.0 0 0.0 8 44
260 D 268 VAL V H H X < TS+ 0 0 -107.8 -3.1 -175.9 97.4 91.9 64.1 257 -0.8 264 -1.2 256 -0.8 0 0.0 11 52
261 D 269 SER S T h < >TS+ 0 0 -53.8 -53.4 -178.2 45.3 85.3 29.1 257 -1.0 266 -1.9 0 0.0 0 0.0 12 42
262 D 270 ALA A T T 4 >5TS+ 0 0 -61.6 -41.3 176.2 52.8 111.8 20.0 0 0.0 265 -2.5 0 0.0 0 0.0 10 35
263 D 271 LEU L T T 4 35TS+ 0 0 -70.1 -12.3 172.7 59.6 103.2 44.2 0 0.0 0 0.0 0 0.0 0 0.0 8 35
264 D 272 LEU L T T < 35TS- 0 0 -91.3 1.5 176.3 -109.6 124.3 72.8 260 -1.2 0 0.0 0 0.0 0 0.0 8 46
265 D 273 GLY G T T <5T + 0 0 87.5 15.8 179.1 146.8 67.3 50.2 262 -2.5 0 0.0 0 0.0 0 0.0 6 32
266 D 274 ARG R t T - 0 0 -90.5 -170.2 -175.4 -42.5 55.6 100.0 273 -3.1 272 -0.8 0 0.0 0 0.0 8 28
270 D 278 ALA A G G > TS+ 0 0 -62.9 147.1 175.6 14.9 125.5 111.2 0 0.0 273 -1.6 0 0.0 0 0.0 6 26
271 D 279 VAL V G G 3 TS- 0 0 60.5 33.6 177.0 -68.1 129.7 37.4 0 0.0 0 0.0 0 0.0 0 0.0 6 32
272 D 280 GLY G G G < TS+ 0 0 69.3 8.9 -176.9 142.1 96.0 54.1 269 -0.8 0 0.0 0 0.0 0 0.0 7 30
273 D 281 TYR Y g < T - 0 0 -85.9 156.6 171.6 -97.9 57.6 117.1 270 -1.6 269 -3.1 0 0.0 0 0.0 11 40
274 D 282 GLN Q t > T - 0 0 -59.8 144.5 178.0 -123.9 29.8 109.3 0 0.0 277 -1.3 0 0.0 0 0.0 12 37
275 D 283 PRO P T T 3 TS+ 0 0 -66.9 -25.9 178.6 59.4 109.5 41.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
276 D 284 THR T T h > 3 T + 0 0 -89.4 19.1 -177.4 119.3 69.4 78.9 0 0.0 280 -3.0 0 0.0 0 0.0 6 37
277 D 285 LEU L H H > < TS+ 0 0 -51.6 -48.8 -178.4 40.9 77.0 27.7 274 -1.3 281 -1.6 0 0.0 0 0.0 10 44
278 D 286 ALA A H H > TS+ 0 0 -72.3 -40.8 178.3 44.7 118.0 24.5 0 0.0 282 -2.5 0 0.0 0 0.0 8 36
279 D 287 THR T H H > TS+ 0 0 -75.6 -36.7 174.3 50.0 113.3 20.6 0 0.0 283 -2.6 0 0.0 0 0.0 7 28
280 D 288 ASP D H H X TS+ 0 0 -58.8 -44.5 -175.7 46.4 114.4 22.7 276 -3.0 284 -1.5 0 0.0 0 0.0 8 45
281 D 289 MET M H H X TS+ 0 0 -65.8 -39.3 -179.9 52.4 111.6 23.2 277 -1.6 285 -3.5 0 0.0 0 0.0 10 49
282 D 290 GLY G H H X TS+ 0 0 -64.7 -44.1 -177.0 50.6 106.4 28.0 278 -2.5 286 -2.1 0 0.0 0 0.0 8 40
283 D 291 THR T H H < TS+ 0 0 -67.9 -28.5 177.8 40.4 118.5 29.3 279 -2.6 0 0.0 0 0.0 0 0.0 10 37
284 D 292 MET M H H X > TS+ 0 0 -79.3 -53.3 -174.0 46.5 116.6 16.0 280 -1.5 287 -1.5 0 0.0 288 -0.5 10 55
285 D 293 GLN Q H H < > TS+ 0 0 -61.4 -35.3 178.6 64.2 101.7 34.0 281 -3.5 288 -1.4 0 0.0 0 0.0 9 63
286 D 294 GLU E T h < 3 TS+ 0 0 -64.4 -16.2 175.1 55.7 98.9 44.6 282 -2.1 0 0.0 0 0.0 0 0.0 10 49
287 D 295 ARG R T T 4 < TS+ 0 0 -83.9 -21.3 179.8 81.1 89.8 48.8 284 -1.5 289 -1.3 0 0.0 0 0.0 12 59
288 D 296 ILE I S t < < TS+ 0 0 -83.3 89.4 -172.2 102.4 79.7 137.4 285 -1.4 0 0.0 284 -0.5 0 0.0 10 69
289 D 297 THR T S S S- 0 0 -169.0 151.9 168.1 -103.2 73.7 163.1 287 -1.3 0 0.0 0 0.0 0 0.0 13 64
290 D 298 THR T + 0 0 -70.5 147.0 174.3 179.8 42.5 122.6 141 -0.5 0 0.0 0 0.0 0 0.0 14 52
291 D 299 THR T - 0 0 -135.3 -175.4 176.9 -87.1 47.7 140.9 294 -2.5 0 0.0 0 0.0 0 0.0 10 42
292 D 300 LYS K S S S+ 0 0 -69.9 -23.1 178.7 56.2 125.1 37.3 117 -1.3 0 0.0 0 0.0 0 0.0 8 34
293 D 301 LYS K S S S- 0 0 -77.7 -32.8 -176.9 -20.7 124.0 39.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
294 D 302 GLY G - 0 0 -167.9 165.0 -179.7 -106.5 64.1 165.7 0 0.0 291 -2.5 0 0.0 0 0.0 12 43
295 D 303 SER S e - 0 0 -106.3 141.5 168.6 -166.1 18.4 136.2 0 0.0 243 -2.4 0 0.0 0 0.0 14 53
296 D 304 ILE I E E C n - 0 243 -118.7 126.8 172.2 -160.4 6.4 174.3 0 0.0 298 -0.7 0 0.0 0 0.0 14 66
297 D 305 THR T E E C n - 0 244 -96.9 109.9 -174.2 -164.0 24.3 160.9 243 -2.9 245 -2.7 0 0.0 0 0.0 16 69
298 D 306 SER S E E Cjn - 143 245 -110.7 138.4 179.9 -174.4 18.6 149.3 142 -2.4 144 -3.2 296 -0.7 300 -0.5 14 75
299 D 307 VAL V E E Cjn - 144 246 -126.6 113.4 -177.8 -176.7 10.3 166.2 245 -2.7 247 -2.7 0 0.0 301 -0.5 13 74
300 D 308 GLN Q E E Cjn - 145 247 -119.7 126.4 172.2 -144.5 20.6 161.4 144 -2.9 146 -3.2 298 -0.5 0 0.0 12 74
301 D 309 ALA A E E Cj - 146 0 -78.7 136.3 -174.4 -161.9 22.4 132.7 247 -2.8 250 -2.0 299 -0.5 0 0.0 16 68
302 D 310 ILE I E E Cj - 147 0 -132.6 105.1 178.0 -143.0 7.3 152.9 146 -3.0 148 -1.8 0 0.0 0 0.0 14 66
303 D 311 TYR Y E E Cj - 148 0 -64.9 145.3 -180.0 -151.1 6.4 103.2 0 0.0 0 0.0 0 0.0 0 0.0 13 56
304 D 312 VAL V e > T - 0 0 -123.2 102.5 -179.4 -133.0 17.7 165.3 148 -1.0 307 -1.5 0 0.0 0 0.0 15 47
305 D 313 PRO P G G > TS- 0 0 -60.9 134.7 176.7 -3.5 85.8 112.6 0 0.0 308 -2.3 0 0.0 0 0.0 9 41
306 D 314 ALA A G G 3 TS- 0 0 53.3 31.4 178.8 -78.8 117.9 41.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
307 D 315 ASP D G G < TS+ 0 0 54.7 20.3 -177.6 137.9 95.6 44.4 304 -1.5 309 -0.8 0 0.0 0 0.0 9 36
308 D 316 ASP D g X T - 0 0 -102.1 105.6 -178.5 -169.9 38.6 145.7 305 -2.3 311 -2.0 0 0.0 0 0.0 8 32
309 D 317 LEU L T T 3 TS+ 0 0 -69.4 -13.6 173.4 64.3 86.3 47.4 307 -0.8 0 0.0 0 0.0 0 0.0 8 39
310 D 318 THR T T T 3 TS+ 0 0 -81.7 -5.3 176.9 121.3 72.8 56.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
311 D 319 ASP D S h > < TS- 0 0 -52.9 142.5 179.4 -114.2 78.0 109.9 308 -2.0 315 -2.7 0 0.0 0 0.0 10 33
312 D 320 PRO P H H > TS+ 0 0 -51.4 -37.5 179.7 56.8 109.0 36.9 0 0.0 316 -2.0 0 0.0 0 0.0 9 43
313 D 321 ALA A H H > TS+ 0 0 -63.9 -58.5 179.8 30.3 116.8 7.4 0 0.0 317 -1.2 0 0.0 0 0.0 10 54
314 D 322 PRO P H H > TS+ 0 0 -69.7 -37.5 178.4 58.2 117.0 28.7 0 0.0 318 -1.3 0 0.0 0 0.0 14 53
315 D 323 ALA A H H < TS+ 0 0 -60.5 -35.1 179.2 45.7 109.7 21.3 311 -2.7 0 0.0 0 0.0 0 0.0 9 42
316 D 324 THR T H H < TS+ 0 0 -77.7 -21.5 -177.8 61.4 105.9 37.6 312 -2.0 0 0.0 0 0.0 0 0.0 8 46
317 D 325 THR T H H < > TS+ 0 0 -75.4 -28.3 -173.8 75.4 85.7 28.8 313 -1.2 320 -2.4 0 0.0 0 0.0 9 54
318 D 326 PHE F G h < > TS+ 0 0 -53.3 -41.2 -176.7 59.4 87.5 34.3 314 -1.3 321 -1.7 0 0.0 0 0.0 9 46
319 D 327 ALA A G G 3 TS+ 0 0 -67.0 -10.6 178.7 61.0 98.0 50.5 0 0.0 0 0.0 0 0.0 0 0.0 5 39
320 D 328 HIS H G G < TS+ 0 0 -91.7 3.9 -171.4 82.6 93.2 68.2 317 -2.4 0 0.0 0 0.0 0 0.0 8 48
321 D 329 LEU L g < T - 0 0 -115.5 163.3 177.5 -161.1 53.8 138.4 318 -1.7 0 0.0 0 0.0 0 0.0 11 54
322 D 330 ASP D S e S+ 0 0 -107.1 -26.3 173.2 18.1 89.2 49.7 143 -3.2 348 -3.2 0 0.0 0 0.0 11 52
323 D 331 ALA A E E CkO - 144 347 -140.6 146.1 175.6 -159.4 69.5 168.4 143 -1.8 145 -2.0 0 0.0 0 0.0 16 52
324 D 332 THR T E E CkO - 145 346 -130.6 142.0 173.8 -164.5 9.6 156.7 346 -3.1 346 -0.9 0 0.0 326 -0.6 14 60
325 D 333 THR T E E Ck - 146 0 -116.4 109.9 -179.7 -163.2 16.8 166.4 145 -2.6 147 -1.9 0 0.0 327 -0.6 15 68
326 D 334 VAL V E E Ck - 147 0 -101.0 123.5 -177.4 -159.5 2.6 150.5 324 -0.6 341 -3.6 0 0.0 0 0.0 11 61
327 D 335 LEU L B e B - 340 0 -99.6 152.0 -173.7 -154.8 5.5 130.7 147 -2.8 0 0.0 325 -0.6 0 0.0 16 58
328 D 336 SER S h > T - 0 0 -139.0 129.9 178.3 -150.2 22.9 170.7 339 -2.4 332 -2.7 0 0.0 0 0.0 12 48
329 D 337 ARG R H H > TS+ 0 0 -60.3 -39.0 178.9 60.0 102.5 28.5 0 0.0 333 -2.7 0 0.0 0 0.0 10 34
330 D 338 ALA A H H 4 TS+ 0 0 -60.5 -30.5 174.4 41.0 111.3 33.6 0 0.0 0 0.0 0 0.0 0 0.0 6 32
331 D 339 ILE I H H 4 >>TS+ 0 0 -82.0 -47.5 173.6 52.5 113.3 20.7 0 0.0 334 -1.7 0 0.0 336 -1.4 13 42
332 D 340 ALA A H H < >5TS+ 0 0 -49.8 -46.1 -179.7 62.2 101.4 29.7 328 -2.7 335 -2.1 0 0.0 0 0.0 12 40
333 D 341 GLU E T h < 35TS+ 0 0 -54.0 -28.7 -179.1 55.9 98.4 45.0 329 -2.7 0 0.0 0 0.0 0 0.0 7 26
334 D 342 LEU L T T <5TS- 0 0 -84.7 -4.8 -178.1 -108.7 121.2 54.9 331 -1.7 0 0.0 0 0.0 0 0.0 6 29
335 D 343 GLY G T T <5TS+ 0 0 88.1 9.0 175.8 144.5 72.0 54.5 332 -2.1 337 -0.9 0 0.0 0 0.0 6 39
336 D 344 ILE I t T - 0 0 -79.2 111.1 -175.8 -161.5 15.1 137.1 326 -3.6 344 -1.6 0 0.0 0 0.0 11 63
342 D 350 PRO P T T 3 TS+ 0 0 -73.9 -8.0 176.4 55.2 86.5 51.2 0 0.0 0 0.0 0 0.0 0 0.0 9 58
343 D 351 LEU L T T 3 TS+ 0 0 -111.5 23.8 178.0 38.7 112.7 81.0 0 0.0 0 0.0 0 0.0 0 0.0 7 42
344 D 352 ASP D S t < TS+ 0 0 -155.7 23.9 -177.4 97.6 88.9 83.7 341 -1.6 0 0.0 0 0.0 0 0.0 7 46
345 D 353 SER S + 0 0 -124.2 125.6 -166.7 178.2 51.7 164.7 0 0.0 0 0.0 0 0.0 0 0.0 13 54
346 D 354 THR T E E CO - 324 0 -133.9 159.0 178.2 -163.1 18.2 157.1 324 -0.9 324 -3.1 0 0.0 0 0.0 11 44
347 D 355 SER S E E CO > T - 323 0 -150.3 137.8 176.6 -137.9 24.9 163.2 0 0.0 350 -1.7 0 0.0 0 0.0 12 53
348 D 356 ARG R T e 3 TS+ 0 0 -60.5 -28.2 -179.5 53.5 106.6 43.8 322 -3.2 0 0.0 0 0.0 0 0.0 8 42
349 D 357 ILE I T T 3 TS+ 0 0 -93.7 8.5 175.9 109.9 72.1 65.4 0 0.0 351 -1.9 0 0.0 0 0.0 13 42
350 D 358 MET M t < T + 0 0 -80.5 82.6 -175.1 120.1 51.0 128.1 347 -1.7 0 0.0 0 0.0 0 0.0 12 49
351 D 359 ASP D S h > > TS- 0 0 -148.5 130.2 -178.6 -126.0 72.0 163.2 349 -1.9 355 -2.6 0 0.0 354 -2.3 9 31
352 D 360 PRO P H H > 3 TS+ 0 0 -52.7 -33.3 -180.0 57.4 111.0 36.5 0 0.0 356 -1.6 0 0.0 0 0.0 11 26
353 D 361 ASN N H H 4 3 TS+ 0 0 -76.2 -10.4 -179.9 37.1 115.6 53.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
354 D 362 ILE I H H 4 < TS+ 0 0 -105.9 -54.1 -178.5 20.8 132.3 38.0 351 -2.3 0 0.0 0 0.0 0 0.0 7 30
355 D 363 VAL V H H < TS- 0 0 -94.8 -1.5 -179.0 -107.9 114.4 57.5 351 -2.6 0 0.0 0 0.0 0 0.0 11 37
356 D 364 GLY G h X T - 0 0 94.1 155.7 -178.5 -84.0 29.9 86.1 352 -1.6 360 -2.1 0 0.0 0 0.0 9 28
357 D 365 SER S H H > TS+ 0 0 -71.4 -30.8 178.6 55.4 122.3 33.1 0 0.0 361 -3.2 0 0.0 0 0.0 8 23
358 D 366 GLU E H H > TS+ 0 0 -66.0 -52.4 178.4 41.4 112.7 18.1 0 0.0 362 -2.3 0 0.0 0 0.0 7 31
359 D 367 HIS H H H > TS+ 0 0 -54.5 -48.7 -177.7 48.7 118.3 19.1 0 0.0 363 -2.2 0 0.0 0 0.0 11 42
360 D 368 TYR Y H H X TS+ 0 0 -59.8 -46.7 -175.6 47.2 112.2 21.1 356 -2.1 364 -2.3 0 0.0 0 0.0 12 38
361 D 369 ASP D H H X TS+ 0 0 -68.0 -39.7 177.8 48.6 111.7 33.4 357 -3.2 365 -1.5 0 0.0 0 0.0 9 35
362 D 370 VAL V H H X TS+ 0 0 -63.3 -47.6 -178.3 50.8 111.5 25.5 358 -2.3 366 -2.6 0 0.0 0 0.0 11 46
363 D 371 ALA A H H X TS+ 0 0 -60.1 -40.5 177.4 46.1 112.5 20.1 359 -2.2 367 -2.7 0 0.0 0 0.0 10 57
364 D 372 ARG R H H X TS+ 0 0 -71.7 -26.6 -177.9 52.1 111.5 34.0 360 -2.3 368 -2.5 0 0.0 0 0.0 9 44
365 D 373 GLY G H H X TS+ 0 0 -78.6 -32.3 172.8 50.7 108.7 30.4 361 -1.5 369 -2.3 0 0.0 0 0.0 9 46
366 D 374 VAL V H H X TS+ 0 0 -63.9 -43.9 176.9 47.0 112.5 14.9 362 -2.6 370 -2.0 0 0.0 0 0.0 12 57
367 D 375 GLN Q H H X TS+ 0 0 -63.9 -43.1 -179.0 50.8 111.7 22.6 363 -2.7 371 -2.4 0 0.0 0 0.0 10 48
368 D 376 LYS K H H X TS+ 0 0 -61.4 -46.7 -177.9 45.8 111.3 22.6 364 -2.5 372 -2.9 0 0.0 0 0.0 8 38
369 D 377 ILE I H H X TS+ 0 0 -67.3 -32.5 179.4 49.8 113.7 28.8 365 -2.3 373 -2.0 0 0.0 0 0.0 11 43
370 D 378 LEU L H H X TS+ 0 0 -71.9 -34.8 178.7 46.5 113.2 27.7 366 -2.0 374 -1.9 0 0.0 0 0.0 13 44
371 D 379 GLN Q H H X TS+ 0 0 -73.8 -41.3 175.4 49.8 112.3 24.0 367 -2.4 375 -2.2 0 0.0 0 0.0 9 33
372 D 380 ASP D H H X TS+ 0 0 -62.7 -37.1 179.3 49.3 111.5 26.3 368 -2.9 376 -0.8 0 0.0 0 0.0 9 35
373 D 381 TYR Y H H X > TS+ 0 0 -67.5 -40.9 179.7 52.3 109.3 21.6 369 -2.0 377 -0.9 0 0.0 376 -0.9 11 39
374 D 382 LYS K H H < > TS+ 0 0 -61.4 -40.5 177.1 53.5 106.6 25.9 370 -1.9 377 -0.7 0 0.0 0 0.0 7 33
375 D 383 SER S H H < 3 TS+ 0 0 -69.7 -17.3 -179.5 43.4 113.1 46.6 371 -2.2 0 0.0 0 0.0 0 0.0 7 25
376 D 384 LEU L H H X X TS+ 0 0 -98.6 -19.6 -169.9 91.9 85.0 59.7 373 -0.9 379 -2.0 372 -0.8 380 -1.9 8 32
377 D 385 GLN Q H H X < TS+ 0 0 -49.7 -35.0 -174.8 53.0 85.6 28.7 373 -0.9 381 -1.7 374 -0.7 0 0.0 8 30
378 D 386 ASP D H H 4 3 TS+ 0 0 -91.0 13.8 174.1 45.2 110.5 77.0 0 0.0 0 0.0 0 0.0 0 0.0 7 20
379 D 387 ILE I H H > < TS+ 0 0 -117.2 -29.1 176.9 53.7 110.2 55.8 376 -2.0 383 -4.3 0 0.0 0 0.0 8 21
380 D 388 ILE I H H X TS+ 0 0 -64.0 -48.5 -177.4 51.0 108.4 26.7 376 -1.9 384 -1.4 0 0.0 0 0.0 11 27
381 D 389 ALA A H H < TS+ 0 0 -64.5 -21.8 -179.1 31.6 122.9 46.0 377 -1.7 0 0.0 0 0.0 0 0.0 8 18
382 D 390 ILE I H H 4 TS+ 0 0 -110.2 -39.7 179.4 27.4 130.8 39.0 0 0.0 0 0.0 0 0.0 0 0.0 6 13
383 D 391 LEU L H H < TS- 0 0 -102.1 -1.5 179.1 -122.2 107.2 63.0 379 -4.3 0 0.0 0 0.0 0 0.0 8 16
384 D 392 GLY G h < > T - 0 0 80.1 153.9 177.8 -84.3 24.9 74.7 380 -1.4 387 -0.8 0 0.0 0 0.0 9 18
385 D 393 MET M G G > TS+ 0 0 -60.9 -38.7 -177.7 67.4 121.9 33.0 0 0.0 388 -2.6 0 0.0 0 0.0 8 24
386 D 394 ASP D G G 3 TS+ 0 0 -55.0 -32.6 179.6 59.1 94.3 32.8 0 0.0 0 0.0 0 0.0 0 0.0 6 21
387 D 395 GLU E G G < TS+ 0 0 -73.3 -4.9 -178.1 97.6 90.4 57.5 384 -0.8 0 0.0 0 0.0 0 0.0 7 19
388 D 396 LEU L S g < TS- 0 0 -85.8 149.9 171.7 -111.4 80.7 132.0 385 -2.6 0 0.0 0 0.0 0 0.0 9 24
389 D 397 SER S h > T - 0 0 -62.0 167.0 175.4 -109.5 32.4 99.2 0 0.0 393 -1.6 0 0.0 0 0.0 7 20
390 D 398 GLU E H H > TS+ 0 0 -69.4 -38.3 177.4 53.2 120.8 29.3 0 0.0 394 -1.4 0 0.0 0 0.0 6 21
391 D 399 GLU E H H > > TS+ 0 0 -61.1 -41.5 178.1 51.1 108.1 17.3 0 0.0 395 -2.1 0 0.0 394 -0.8 6 24
392 D 400 ASP D H H > 3 TS+ 0 0 -63.3 -32.6 176.4 56.7 105.6 31.1 0 0.0 396 -2.4 0 0.0 0 0.0 8 34
393 D 401 LYS K H H X 3 TS+ 0 0 -66.3 -33.0 -179.7 48.4 107.0 36.6 389 -1.6 397 -2.3 0 0.0 0 0.0 10 35
394 D 402 LEU L H H X < TS+ 0 0 -77.9 -39.3 173.0 55.2 107.0 29.5 390 -1.4 398 -2.2 391 -0.8 0 0.0 9 42
395 D 403 THR T H H X TS+ 0 0 -51.9 -49.5 179.3 46.5 112.6 13.4 391 -2.1 399 -2.9 0 0.0 0 0.0 11 41
396 D 404 VAL V H H X TS+ 0 0 -59.7 -60.5 -175.3 40.5 114.4 21.6 392 -2.4 400 -2.5 0 0.0 0 0.0 9 47
397 D 405 SER S H H X TS+ 0 0 -62.3 -40.4 -179.4 44.9 120.9 25.3 393 -2.3 401 -1.6 0 0.0 0 0.0 10 46
398 D 406 ARG R H H X TS+ 0 0 -70.7 -40.7 179.0 50.5 112.1 23.7 394 -2.2 402 -2.5 0 0.0 0 0.0 13 49
399 D 407 ALA A H H X TS+ 0 0 -61.6 -42.3 -176.3 51.5 109.8 21.7 395 -2.9 403 -2.9 0 0.0 0 0.0 13 57
400 D 408 ARG R H H X TS+ 0 0 -65.9 -32.4 172.0 47.3 111.7 31.5 396 -2.5 404 -1.4 0 0.0 0 0.0 9 52
401 D 409 LYS K H H X TS+ 0 0 -71.1 -39.1 179.3 50.6 111.4 29.1 397 -1.6 405 -2.1 0 0.0 0 0.0 13 58
402 D 410 ILE I H H X TS+ 0 0 -67.5 -38.0 173.6 56.4 106.0 21.4 398 -2.5 406 -1.5 0 0.0 0 0.0 13 70
403 D 411 GLN Q H H < TS+ 0 0 -55.7 -43.6 -179.6 43.0 111.5 27.4 399 -2.9 0 0.0 0 0.0 0 0.0 10 65
404 D 412 ARG R H H < > TS+ 0 0 -75.2 -30.0 -177.8 57.7 108.6 29.6 400 -1.4 407 -1.2 0 0.0 451 -0.6 13 57
405 D 413 PHE F H H < 3 TS+ 0 0 -72.9 -22.2 177.0 61.8 98.2 41.1 401 -2.1 0 0.0 0 0.0 0 0.0 12 72
406 D 414 LEU L T h < 3 TS+ 0 0 -75.2 -14.9 174.6 87.5 89.6 44.0 402 -1.5 131 -0.5 0 0.0 0 0.0 8 74
407 D 415 SER S t < T - 0 0 -74.8 160.8 -175.0 -177.6 61.5 109.4 404 -1.2 0 0.0 0 0.0 0 0.0 15 66
408 D 416 GLN Q - 0 0 -164.9 134.4 171.0 -115.9 32.0 156.3 337 -2.8 0 0.0 0 0.0 0 0.0 15 66
409 D 417 PRO P - 0 0 -67.6 120.7 179.8 -151.7 36.2 128.3 0 0.0 422 -2.3 0 0.0 0 0.0 15 51
410 D 418 PHE F g > T - 0 0 -97.9 150.5 175.3 -131.2 17.0 145.9 0 0.0 413 -1.8 0 0.0 0 0.0 11 50
411 D 419 GLN Q G G > TS+ 0 0 -60.7 -40.9 -178.2 48.9 111.2 27.6 0 0.0 414 -1.1 0 0.0 0 0.0 9 41
412 D 420 VAL V G G 3 TS+ 0 0 -77.7 -2.5 -177.7 58.2 108.6 58.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
413 D 421 ALA A G h > X T + 0 0 -111.0 12.7 179.9 104.9 68.1 70.1 410 -1.8 416 -2.0 0 0.0 417 -1.5 10 42
414 D 422 GLU E H H > < TS+ 0 0 -63.6 -31.6 175.1 63.0 74.5 35.6 411 -1.1 418 -1.6 0 0.0 0 0.0 12 28
415 D 423 VAL V H H 4 3 TS+ 0 0 -64.7 -14.6 -179.0 35.1 114.8 44.5 0 0.0 0 0.0 0 0.0 0 0.0 6 18
416 D 424 PHE F H H 4 < TS+ 0 0 -108.8 -27.9 -173.4 35.6 123.6 48.2 413 -2.0 0 0.0 0 0.0 0 0.0 5 30
417 D 425 THR T H H < TS- 0 0 -102.2 -28.4 -174.6 -133.5 85.9 48.3 413 -1.5 0 0.0 0 0.0 0 0.0 7 30
418 D 426 GLY G S h < TS+ 0 0 79.0 12.3 179.7 113.8 71.9 53.6 414 -1.6 0 0.0 0 0.0 0 0.0 6 19
419 D 427 HIS H S S S- 0 0 -119.1 150.1 177.1 -107.3 75.2 157.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
420 D 428 LEU L - 0 0 -66.7 144.3 -179.8 -105.0 47.2 109.0 0 0.0 0 0.0 0 0.0 0 0.0 8 25
421 D 429 GLY G - 0 0 -72.8 152.6 179.8 -156.5 35.2 108.8 0 0.0 0 0.0 0 0.0 0 0.0 11 37
422 D 430 LYS K - 0 0 -131.6 149.8 179.1 -162.4 12.9 173.3 409 -2.3 0 0.0 0 0.0 0 0.0 10 45
423 D 431 LEU L - 0 0 -129.4 125.3 -174.9 -158.0 15.6 164.9 0 0.0 0 0.0 0 0.0 0 0.0 8 50
424 D 432 VAL V - 0 0 -118.7 121.6 178.0 -128.1 14.3 163.4 128 -2.4 0 0.0 0 0.0 0 0.0 11 46
425 D 433 PRO P h > T - 0 0 -59.2 148.5 -177.8 -111.4 28.0 101.0 0 0.0 429 -2.3 0 0.0 0 0.0 8 36
426 D 434 LEU L H H > TS+ 0 0 -52.5 -42.8 179.7 51.6 115.6 29.5 0 0.0 430 -2.5 0 0.0 0 0.0 11 44
427 D 435 LYS K H H > TS+ 0 0 -67.3 -38.7 178.9 50.2 108.8 25.6 0 0.0 431 -2.5 0 0.0 0 0.0 6 38
428 D 436 GLU E H H > TS+ 0 0 -66.3 -38.7 177.2 51.1 110.5 22.3 0 0.0 432 -2.7 0 0.0 0 0.0 10 39
429 D 437 THR T H H X TS+ 0 0 -59.3 -50.5 -178.3 47.0 111.4 13.8 425 -2.3 433 -2.1 0 0.0 0 0.0 13 53
430 D 438 ILE I H H X TS+ 0 0 -57.7 -48.3 -176.5 47.5 114.5 18.7 426 -2.5 434 -2.4 0 0.0 0 0.0 11 49
431 D 439 LYS K H H X TS+ 0 0 -61.4 -48.7 -178.7 52.9 108.2 20.8 427 -2.5 435 -2.8 0 0.0 0 0.0 8 45
432 D 440 GLY G H H X TS+ 0 0 -52.8 -47.7 -177.3 42.8 113.9 17.3 428 -2.7 436 -1.7 0 0.0 0 0.0 10 57
433 D 441 PHE F H H X TS+ 0 0 -69.5 -38.2 177.6 53.3 111.9 28.4 429 -2.1 437 -2.4 0 0.0 0 0.0 12 64
434 D 442 GLN Q H H X TS+ 0 0 -61.4 -42.5 178.0 51.0 109.1 16.2 430 -2.4 438 -2.1 0 0.0 0 0.0 9 46
435 D 443 GLN Q H H X >TS+ 0 0 -64.7 -35.1 -179.7 48.9 109.8 26.0 431 -2.8 440 -1.5 0 0.0 439 -0.7 10 41
436 D 444 ILE I H H < >5TS+ 0 0 -70.4 -41.4 -179.0 48.4 111.8 20.6 432 -1.7 439 -1.0 0 0.0 0 0.0 13 52
437 D 445 LEU L H H < 35TS+ 0 0 -62.8 -35.9 -178.3 56.8 107.4 36.6 433 -2.4 0 0.0 0 0.0 0 0.0 10 51
438 D 446 ALA A H H < 35TS- 0 0 -74.2 -14.8 175.4 -111.0 117.7 50.4 434 -2.1 0 0.0 0 0.0 0 0.0 6 33
439 D 447 GLY G T h < X5TS+ 0 0 101.7 1.3 178.7 135.0 74.5 64.6 436 -1.0 442 -1.6 435 -0.7 0 0.0 8 35
440 D 448 GLU E T T 3 TS+ 0 0 -135.8 25.1 177.6 121.3 70.8 84.1 0 0.0 444 -1.5 0 0.0 0 0.0 7 41
442 D 450 ASP D T T < TS+ 0 0 -60.1 -20.2 179.0 58.4 78.1 44.6 439 -1.6 0 0.0 0 0.0 0 0.0 9 36
443 D 451 HIS H T T 3 TS+ 0 0 -84.7 -20.4 -178.7 88.9 87.6 45.8 0 0.0 0 0.0 0 0.0 0 0.0 5 31
444 D 452 LEU L S t < TS- 0 0 -82.2 146.3 177.5 -110.1 83.1 123.6 441 -1.5 0 0.0 0 0.0 0 0.0 8 39
445 D 453 PRO P g > T - 0 0 -64.8 149.5 173.4 -115.5 25.8 112.1 0 0.0 448 -1.8 0 0.0 0 0.0 7 37
446 D 454 GLU E G G > > TS+ 0 0 -49.2 -52.7 -172.8 64.4 109.6 33.2 0 0.0 449 -2.2 0 0.0 450 -0.5 10 45
447 D 455 GLN Q G G 4 > TS+ 0 0 -57.2 -11.7 -179.1 72.9 88.3 47.3 0 0.0 450 -0.5 0 0.0 0 0.0 8 40
448 D 456 ALA A G G 4 < TS+ 0 0 -71.9 -26.8 -176.6 48.7 95.7 37.4 445 -1.8 0 0.0 0 0.0 0 0.0 11 44
449 D 457 PHE F G G 4 X TS+ 0 0 -88.8 -1.9 -176.4 109.3 88.9 55.2 446 -2.2 452 -0.6 0 0.0 0 0.0 13 56
450 D 458 TYR Y T g < < TS- 0 0 -83.8 131.7 179.7 -9.9 88.4 121.7 446 -0.5 0 0.0 447 -0.5 0 0.0 12 55
451 D 459 MET M T T 3 TS+ 0 0 51.4 58.6 174.1 119.9 99.5 24.9 404 -0.6 0 0.0 0 0.0 0 0.0 11 55
452 D 460 VAL V t < T - 0 0 -132.0 179.8 174.5 -136.2 54.2 142.3 449 -0.6 0 0.0 0 0.0 0 0.0 13 54
453 D 461 GLY G S S S+ 0 0 -97.7 -108.5 -179.6 18.1 75.6 53.0 0 0.0 0 0.0 0 0.0 0 0.0 11 55
454 D 462 PRO P S h > > TS- 0 0 -65.0 161.3 -177.9 -108.9 80.7 99.5 0 0.0 457 -0.9 0 0.0 458 -0.7 10 47
455 D 463 ILE I H H > > TS+ 0 0 -64.2 -32.7 177.0 66.0 116.4 27.1 0 0.0 459 -2.1 0 0.0 458 -1.2 10 53
456 D 464 GLU E H H > 3 TS+ 0 0 -57.6 -30.6 -179.1 59.3 96.9 26.5 0 0.0 460 -2.5 0 0.0 0 0.0 6 35
457 D 465 GLU E H H > < TS+ 0 0 -70.7 -29.0 176.1 48.7 103.5 32.4 454 -0.9 461 -1.7 0 0.0 0 0.0 9 44
458 D 466 ALA A H H X < TS+ 0 0 -75.1 -39.6 177.4 52.7 108.8 27.0 455 -1.2 462 -2.6 454 -0.7 0 0.0 13 47
459 D 467 VAL V H H X TS+ 0 0 -61.0 -38.9 177.5 46.6 112.8 19.3 455 -2.1 463 -2.0 0 0.0 0 0.0 10 38
460 D 468 ALA A H H X TS+ 0 0 -71.5 -35.0 178.9 51.6 110.1 28.4 456 -2.5 464 -2.9 0 0.0 0 0.0 8 27
461 D 469 LYS K H H X TS+ 0 0 -68.8 -36.0 177.1 55.1 106.3 24.7 457 -1.7 465 -3.3 0 0.0 0 0.0 10 30
462 D 470 ALA A H H X TS+ 0 0 -59.9 -41.8 179.0 47.2 109.6 17.3 458 -2.6 466 -2.0 0 0.0 0 0.0 12 30
463 D 471 ASP D H H < TS+ 0 0 -63.8 -49.3 177.6 49.1 112.8 10.0 459 -2.0 0 0.0 0 0.0 0 0.0 8 22
464 D 472 LYS K H H < > TS+ 0 0 -51.0 -52.7 -177.3 48.4 111.4 24.4 460 -2.9 467 -1.1 0 0.0 0 0.0 7 19
465 D 473 LEU L H H < 3 TS+ 0 0 -60.2 -35.4 177.9 69.9 95.8 33.8 461 -3.3 0 0.0 0 0.0 0 0.0 7 20
466 D 474 ALA A T h < 3 T 0 0 -68.1 18.5 177.3 999.9 999.9 75.8 462 -2.0 0 0.0 0 0.0 0 0.0 5 16
467 D 475 GLU E t < T 0 0 93.8 999.9 999.9 999.9 999.9 56.9 464 -1.1 0 0.0 0 0.0 0 0.0 4 12
1h8eD.pdb
1H8E ATP PHOSPHORYLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEETTEEEEE SS TT EEEESS SS EEEEEEEEETTEEEEEESS TT TT EEEE SSS EEEESGGGTT EE TTS B SSS Kabs/Sand
chirality ---++-+--+------++----++-----++-+------++---+-+------+--+++--++------+------+-+++++----+-+-++-+---- chirality
bends SS SS SS SS SS SSS SS SS SS SSS SSSSSS SSS SSS bends
turns TTTT TTTT TTTT TTTTTTTT TTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33<>33< >>3X<3< >33< 3-turns
bridge-2 BB*BBB CCCCC EEE FFF*FF*F FFFFFF EEE A bridge-2
bridge-1 AAA BBBBB DDD DDD CCCCC AAA GGGG hh A bridge-1
sheets AAAAAAAA AAAAA AAAA AAAAAAAAA AAAAAA AAAA BBBB CC sheets
4-turns 4-turns
summary eEEEEEEEETeEEEEEeSS tTTeEEEEeS SS eEEEEEEEEETeEEEEEEeS tTTttTTeEEEEeSSSeEEEEgGGGgTeEEtTTt B SSS summary
sequence TTGRIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTVRTIAMDGTEGLVRGQKVLDSGAPIRIPVGPETLGRIMNVIGEPIDERGPI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SEEEES GGG EE S HHHHHHS EETT EEEEEESTTSSHHHHHHHHHHHTTTT SSEEEEEEESS HHHHHHHHHHHHHTTSS S Kabs/Sand
chirality +-+----++-----+++--+-+-----+-++++++----++-----+---+-++++++++++++++++-+--------+--+++++++++++++-++--+ chirality
bends S S SSS S SSSSSSS SS SSSSSSSSSSSSSSSSSSSS SS SS SSSSSSSSSSSSSSSSS S bends
turns TTTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >>555<< >5555< 5-turns
3-turns >>3<< >33< >33< >>3<< 3-turns
bridge-2 kkkk mmmmmm bridge-2
bridge-1 GGGG II II jjjjjj llllll bridge-1
sheets BBBB DD DD CCCCCC CCCCCCC sheets
4-turns >>>><<<< >>>>XXXXX<<>>>XXXXXXX<<<< 4-turns
summary SEEEEe gGGGg eEE ShHHHHHHh EEeTeEEEEEEtTTthHHHHHHHHHHHhTTTtSSEEEEEEEeShHHHHHHHHHHHHHhTtS S summary
sequence KTKQFAAIHAEAPEFVEMSVEQEILVTGIKVVDLLAPYAKGGKIGLFGGAGVGKTVLIMELINNVAKAHGGYSVFAGVGERTREGNDLYHEMIESGVINL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SSS EEEEEE TTS HHHHHHHHHHHHHHHHHHHTTT EEEEEE THHHHHHHHHHTTTTT GGG TTHHHHHHHHHTTSS SS EEEEE Kabs/Sand
chirality +-++-+--+-+--++--+++++++++++++++++++++-+--------+++++++++++++++-+----+-+--++++++++++++++-+-+-------- chirality
bends SSS SSS SSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSS SSS S SSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33<>33< >33< >33< >>><<< >33< >33< >>3<<>33< >>3<< 3-turns
bridge-2 mmmmmm nnnnn nnnnn bridge-2
bridge-1 hh llllll jjj bridge-1
sheets CCCCCC CCCCCC CCCCC sheets
4-turns >>>><>XXXXXXX<<<< >>>>XXXX<>>>XXX5555< 5-turns
3-turns >>3>3<< >>3<< >33< >33<>33< >>3X<3< >>3<< >33< 3-turns
bridge-2 OO bridge-2
bridge-1 jjj kkkkB B OO bridge-1
sheets CCC CCCC CC sheets
4-turns >>>><<<< >>44<< >>44>>XXXXXXXXXXXXXX<X<4<< >>>>XXXXXXXX 4-turns
summary EEEeGGGgTThHHHHHHhGGgeEEEEehHHHHhTTtSS BtTTt EEeTthHHHHhHHHHHHHHHHHHHHHHHHHHHHHHHHHhGGGghHHHHHHHHHHH summary
sequence AIYVPADDLTDPAPATTFAHLDATTVLSRAIAELGIYPAVDPLDSTSRIMDPNIVGSEHYDVARGVQKILQDYKSLQDIIAILGMDELSEEDKLTVSRAR sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHT GGGHHHHSS HHHHHHHHHHHHHTTTTTS GGGGTT SSHHHHHHHHHHHT Kabs/Sand
chirality ++++++----++++++-+-------++++++++++++-+++++--++++-+-+-+++++++++++ chirality
bends SSSSSS SS SSSSSS SSSSSSSSSSSSSSSSSSS SSSSSS SSSSSSSSSSSSS bends
turns TTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3X<3< >33X3><3<>>>>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XX<<<< >>44<< >>>>XXXXXXX<<<< >444< >>>>XXXXX<<<< 4-turns
summary HHHHHht gGGhHHHHhS hHHHHHHHHHHHHHhTTTTtgGGGGgTtShHHHHHHHHHHHht summary
sequence KIQRFLSQPFQVAEVFTGHLGKLVPLKETIKGFQQILAGEYDHLPEQAFYMVGPIEEAVAKADKLAE sequence
410 420 430 440 450 460