DSSP OUTPUT
==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2019-06-21 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
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COMPND .
SOURCE .
AUTHOR .
255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
20008.7 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
152 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES .
19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
26 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
102 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES .
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** .
0 0 0 2 1 0 0 0 0 0 1 1 0 3 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER .
1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER .
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET .
# RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA CHAIN AUTHCHAIN
1 1 S 0 0 178 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.6 90.8 56.2 51.1
2 2 T - 0 0 102 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.636 360.0-123.4 -86.6 146.2 89.3 59.0 53.1
3 3 T - 0 0 123 -2,-0.3 2,-0.3 2,-0.0 3,-0.1 -0.563 30.0-168.1 -85.8 153.3 90.0 62.5 51.8
4 4 H - 0 0 142 2,-0.3 -1,-0.0 -2,-0.2 0, 0.0 -0.904 35.1-111.9-138.2 167.4 91.6 65.0 54.1
5 5 Q S S+ 0 0 203 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.887 91.5 93.2 -64.9 -39.6 92.3 68.7 54.2
6 6 E S S- 0 0 140 1,-0.1 2,-0.5 -3,-0.1 -2,-0.3 -0.260 72.4-143.2 -58.9 139.5 96.0 68.2 53.8
7 7 V + 0 0 133 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.919 27.0 167.6-107.7 128.5 96.9 68.3 50.2
8 8 R - 0 0 173 -2,-0.5 2,-0.1 3,-0.0 3,-0.0 -0.993 33.4-117.1-139.4 147.0 99.6 66.0 49.0
9 9 P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.498 35.3-107.4 -77.9 153.6 100.8 65.0 45.6
10 10 L - 0 0 143 -2,-0.1 2,-0.5 1,-0.0 3,-0.1 -0.596 32.8-142.9 -78.7 143.0 100.4 61.5 44.5
11 11 A - 0 0 67 -2,-0.2 -1,-0.0 1,-0.2 -3,-0.0 -0.928 13.0-159.8-112.4 130.9 103.7 59.7 44.4
12 12 Y S S+ 0 0 222 -2,-0.5 -1,-0.2 2,-0.1 -2,-0.0 0.938 82.8 63.2 -66.2 -44.3 104.5 57.2 41.7
13 13 F S S- 0 0 90 -3,-0.1 4,-0.1 1,-0.1 -2,-0.1 -0.485 93.1-115.3 -83.7 147.9 107.2 55.8 43.8
14 14 P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.348 28.1-107.8 -75.4 163.4 106.3 54.2 47.1
15 15 P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.804 104.8 79.6 -63.6 -29.2 107.6 55.6 50.3
16 16 T S S- 0 0 111 2,-0.0 2,-0.4 3,-0.0 3,-0.1 -0.626 77.8-152.8 -77.1 138.6 110.0 52.8 50.6
17 17 V - 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.907 24.7-146.5-121.1 145.1 112.9 53.5 48.3
18 18 W - 0 0 161 -2,-0.4 3,-0.2 1,-0.2 -1,-0.2 0.887 51.4-139.5 -66.6 -40.3 115.3 51.2 46.6
19 19 G > - 0 0 36 1,-0.2 3,-0.8 2,-0.1 4,-0.4 -0.325 27.4 -66.2 101.5 170.8 117.9 53.8 47.1
20 20 N G >> S+ 0 0 154 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.669 112.0 88.5 -68.5 -21.0 120.7 55.1 44.9
21 21 R G 34 S+ 0 0 184 1,-0.3 -1,-0.2 -3,-0.2 3,-0.2 0.841 93.3 38.7 -54.0 -41.9 122.5 51.7 45.0
22 22 F G <4 S+ 0 0 128 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.761 92.9 89.6 -76.5 -26.6 120.6 50.4 42.0
23 23 A T <4 S+ 0 0 84 -3,-0.7 2,-0.4 -4,-0.4 -1,-0.2 0.823 95.5 10.2 -53.0 -46.4 120.6 53.6 39.9
24 24 S < - 0 0 97 -4,-0.7 2,-0.4 -3,-0.2 -1,-0.1 -0.987 51.9-169.5-142.3 147.6 123.8 53.1 38.0
25 25 L - 0 0 127 -2,-0.4 2,-0.8 2,-0.0 -3,-0.0 -0.985 27.0-129.7-124.6 138.8 126.4 50.5 37.4
26 26 T - 0 0 104 -2,-0.4 2,-0.9 2,-0.1 -2,-0.0 -0.789 18.8-166.2 -94.9 116.6 129.6 51.3 35.7
27 27 F - 0 0 159 -2,-0.8 3,-0.1 4,-0.0 -2,-0.0 -0.852 5.2-160.1 -99.0 105.6 130.3 49.0 32.9
28 28 N >> - 0 0 94 -2,-0.9 4,-2.1 1,-0.2 3,-0.5 -0.704 2.8-166.9 -87.9 99.9 133.9 49.5 32.0
29 29 P H 3> S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.807 83.6 59.1 -54.6 -34.3 133.9 48.1 28.6
30 30 S H 3> S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 106.1 46.2 -64.6 -43.5 137.6 48.1 28.5
31 31 E H <> S+ 0 0 93 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.913 110.1 56.8 -63.4 -38.4 137.9 45.8 31.5
32 32 F H X S+ 0 0 82 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.923 107.4 46.5 -58.1 -48.7 135.2 43.7 29.9
33 33 E H X S+ 0 0 133 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.899 110.6 52.7 -64.4 -40.2 137.2 43.1 26.8
34 34 S H X S+ 0 0 61 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.930 109.9 48.6 -62.1 -42.8 140.3 42.4 28.8
35 35 Y H X S+ 0 0 94 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.933 110.2 52.1 -62.5 -43.0 138.5 39.7 30.7
36 36 D H X S+ 0 0 83 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.913 107.4 51.6 -61.6 -42.3 137.1 38.2 27.6
37 37 E H X S+ 0 0 147 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.958 116.4 39.5 -61.6 -47.9 140.5 38.0 26.0
38 38 R H X S+ 0 0 131 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.902 112.1 57.0 -67.1 -39.7 142.0 36.2 28.9
39 39 V H X S+ 0 0 21 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.874 100.0 59.3 -62.9 -35.1 138.9 34.1 29.6
40 40 I H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.930 107.9 44.3 -62.0 -42.8 139.0 32.7 26.1
41 41 V H X S+ 0 0 82 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.941 114.9 48.9 -65.6 -42.4 142.5 31.2 26.6
42 42 L H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.857 111.2 50.8 -63.6 -38.1 141.5 29.9 30.0
43 43 K H X S+ 0 0 65 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.907 110.4 47.5 -67.0 -42.5 138.3 28.4 28.6
44 44 K H X S+ 0 0 125 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.930 112.5 51.0 -64.0 -41.3 140.2 26.6 25.8
45 45 K H X S+ 0 0 142 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.926 111.8 46.0 -62.1 -45.6 142.7 25.4 28.3
46 46 V H X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.861 107.2 59.2 -67.7 -33.0 140.0 24.1 30.6
47 47 K H X S+ 0 0 60 -4,-2.4 4,-1.8 1,-0.2 3,-0.4 0.965 103.8 51.1 -59.8 -45.7 138.2 22.5 27.7
48 48 D H X S+ 0 0 89 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.854 103.7 58.0 -62.9 -33.0 141.3 20.4 26.9
49 49 I H >< S+ 0 0 62 -4,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.935 106.5 48.7 -63.1 -40.5 141.5 19.2 30.4
50 50 L H 3< S+ 0 0 8 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.877 109.0 54.8 -62.6 -38.2 138.0 17.8 30.1
51 51 I H 3< S+ 0 0 97 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.781 75.0 131.6 -64.0 -32.6 138.9 16.1 26.8
52 52 S << - 0 0 61 -4,-1.5 3,-0.2 -3,-0.5 -3,-0.0 0.092 48.3-150.5 -37.7 120.0 142.0 14.3 28.3
53 53 S S S+ 0 0 121 1,-0.2 2,-1.2 0, 0.0 -1,-0.1 0.949 78.9 47.2 -64.1 -59.6 141.7 10.7 27.2
54 54 T S S+ 0 0 129 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.687 75.9 139.5 -97.8 98.1 143.3 8.6 29.8
55 55 S - 0 0 44 -2,-1.2 2,-0.1 -3,-0.2 3,-0.0 -0.977 51.8-111.9-135.5 148.5 142.0 9.9 33.1
56 56 D > - 0 0 75 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.380 27.8-120.3 -73.9 154.4 141.0 8.0 36.3
57 57 S H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.940 115.1 50.9 -62.5 -44.5 137.3 8.1 37.2
58 58 V H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 111.5 48.4 -60.5 -41.4 138.0 9.8 40.4
59 59 E H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 111.7 49.0 -65.4 -41.8 140.0 12.4 38.7
60 60 T H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 112.1 47.9 -65.9 -41.9 137.4 13.0 36.1
61 61 V H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.927 112.5 48.6 -65.0 -42.4 134.6 13.3 38.7
62 62 I H X S+ 0 0 43 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.925 109.4 53.0 -63.7 -40.9 136.6 15.7 40.8
63 63 L H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.934 111.9 44.8 -60.6 -44.8 137.5 17.8 37.8
64 64 I H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.904 111.6 53.9 -63.8 -41.6 133.8 18.1 36.9
65 65 D H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.930 110.1 47.0 -59.9 -45.3 132.9 18.8 40.5
66 66 L H X S+ 0 0 57 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.927 110.7 50.1 -64.5 -43.7 135.5 21.6 40.6
67 67 L H X>S+ 0 0 12 -4,-2.3 5,-1.5 1,-0.2 6,-0.8 0.897 113.6 47.1 -62.6 -40.1 134.4 23.3 37.4
68 68 C H ><5S+ 0 0 61 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.905 109.6 51.9 -66.7 -41.4 130.8 23.2 38.5
69 69 R H 3<5S+ 0 0 37 -4,-2.5 99,-0.3 1,-0.3 98,-0.2 0.847 105.2 58.4 -62.9 -33.5 131.7 24.6 41.9
70 70 L H 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.681 109.5-126.1 -68.1 -25.6 133.4 27.3 40.1
71 71 G T <<5S+ 0 0 20 -3,-1.2 3,-0.3 -4,-0.6 -3,-0.2 0.564 85.0 110.2 89.6 3.7 130.2 28.2 38.3
72 72 V > < + 0 0 2 -5,-1.5 3,-2.1 -6,-0.2 4,-0.4 0.532 42.1 96.4 -81.2 -19.1 132.2 27.9 35.0
73 73 S G > + 0 0 20 -6,-0.8 3,-1.1 1,-0.3 4,-0.3 0.693 63.2 78.9 -56.5 -21.4 130.4 24.7 33.9
74 74 Y G > S+ 0 0 92 -3,-0.3 3,-0.6 1,-0.3 -1,-0.3 0.761 92.0 52.5 -60.4 -28.2 128.0 26.6 31.7
75 75 H G < S+ 0 0 47 -3,-2.1 -1,-0.3 1,-0.2 3,-0.3 0.796 111.2 49.1 -68.0 -36.0 130.7 26.9 29.1
76 76 F G <> + 0 0 2 -3,-1.1 4,-2.8 -4,-0.4 5,-0.4 0.197 69.3 124.1 -86.0 0.6 131.2 23.1 29.2
77 77 E H <> S+ 0 0 77 -3,-0.6 4,-1.9 -4,-0.3 5,-0.2 0.827 78.7 42.6 -45.5 -47.5 127.7 21.8 28.9
78 78 N H > S+ 0 0 107 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.966 117.6 46.1 -64.5 -47.5 128.3 19.6 25.9
79 79 D H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.923 113.7 46.6 -62.3 -47.5 131.6 18.2 27.2
80 80 I H X S+ 0 0 5 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.903 112.4 51.0 -64.6 -40.3 130.4 17.5 30.7
81 81 E H X S+ 0 0 88 -4,-1.9 4,-2.8 -5,-0.4 -1,-0.2 0.939 110.3 48.8 -62.7 -44.6 127.3 15.8 29.5
82 82 E H X S+ 0 0 122 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.916 113.8 46.3 -63.3 -42.9 129.1 13.6 27.1
83 83 L H X S+ 0 0 21 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.927 113.7 47.8 -65.8 -43.2 131.6 12.6 29.8
84 84 L H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.873 107.8 56.5 -65.8 -35.7 128.9 12.0 32.4
85 85 S H X S+ 0 0 56 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.938 107.7 48.5 -60.4 -42.9 126.9 10.0 29.9
86 86 K H X S+ 0 0 131 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.913 111.2 49.3 -64.3 -40.0 129.9 7.7 29.4
87 87 I H X S+ 0 0 29 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.909 108.9 54.7 -64.0 -40.1 130.3 7.3 33.1
88 88 F H < S+ 0 0 69 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.939 112.3 41.4 -59.3 -49.4 126.7 6.5 33.4
89 89 N H < S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.913 112.6 53.2 -68.0 -40.8 126.8 3.7 30.9
90 90 S H < S- 0 0 68 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.921 77.3-170.3 -62.3 -43.5 130.1 2.2 32.1
91 91 Q < - 0 0 76 -4,-2.3 -3,-0.1 -5,-0.2 -1,-0.1 0.908 14.9-159.8 53.1 44.5 128.9 1.9 35.7
92 92 P - 0 0 31 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.341 10.2-167.7 -57.8 134.6 132.4 1.1 36.7
93 93 D - 0 0 49 -3,-0.1 30,-0.0 7,-0.1 -2,-0.0 -0.274 39.6 -84.2-108.4-165.6 132.4 -0.6 40.0
94 94 L S S+ 0 0 58 5,-0.4 -1,-0.0 1,-0.2 0, 0.0 0.872 121.1 62.8 -67.3 -40.3 135.1 -1.5 42.5
95 95 V S S+ 0 0 122 4,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.866 86.9 83.1 -60.3 -40.4 136.0 -4.7 40.7
96 96 D S S- 0 0 82 2,-0.3 4,-0.1 1,-0.1 0, 0.0 -0.027 103.2 -96.8 -62.3 172.3 137.1 -3.0 37.5
97 97 E S S+ 0 0 192 1,-0.2 2,-1.0 2,-0.1 -1,-0.1 0.938 123.7 58.3 -57.5 -44.3 140.6 -1.6 37.4
98 98 K S S- 0 0 97 -41,-0.0 -2,-0.3 -42,-0.0 -1,-0.2 -0.762 88.4-160.5 -86.6 108.3 139.2 1.7 38.3
99 99 E - 0 0 111 -2,-1.0 -5,-0.4 -4,-0.1 2,-0.1 -0.539 8.8-133.8 -86.5 155.3 137.5 0.8 41.6
100 100 C - 0 0 17 -2,-0.2 2,-0.3 -43,-0.1 -1,-0.1 -0.232 21.4-165.6 -89.2-171.5 134.9 3.0 43.0
101 101 D > - 0 0 69 1,-0.1 4,-3.4 -2,-0.1 5,-0.3 -0.923 39.4 -93.5-162.1 171.4 134.9 4.0 46.7
102 102 L H > S+ 0 0 41 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.966 127.1 42.8 -62.0 -46.1 132.4 5.4 49.1
103 103 Y H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 119.5 42.0 -66.3 -43.3 133.6 8.9 48.3
104 104 T H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 116.3 51.1 -66.8 -40.4 133.9 8.4 44.6
105 105 A H X S+ 0 0 1 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.913 110.3 47.1 -64.5 -44.5 130.6 6.5 44.6
106 106 A H X S+ 0 0 38 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.927 114.4 47.3 -65.0 -42.5 128.7 9.2 46.4
107 107 I H X S+ 0 0 41 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.920 111.4 50.4 -65.6 -41.5 130.1 11.9 44.2
108 108 V H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.922 111.2 50.0 -62.5 -40.5 129.4 9.9 41.1
109 109 F H X S+ 0 0 32 -4,-2.4 4,-2.4 1,-0.2 10,-0.2 0.946 112.8 46.1 -61.0 -48.5 125.8 9.4 42.3
110 110 R H X S+ 0 0 43 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.921 112.3 49.1 -63.0 -46.1 125.3 13.1 43.0
111 111 V H X S+ 0 0 5 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.910 113.2 46.7 -63.6 -42.7 126.8 14.3 39.8
112 112 F H X>S+ 0 0 5 -4,-2.2 5,-2.6 -5,-0.2 4,-0.6 0.946 113.3 48.3 -64.3 -46.4 124.7 12.0 37.7
113 113 R H ><5S+ 0 0 56 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.904 109.6 51.4 -62.6 -41.3 121.5 12.7 39.5
114 114 Q H 3<5S+ 0 0 48 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.857 110.5 51.7 -62.9 -34.2 122.0 16.4 39.3
115 115 H H 3<5S- 0 0 67 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.532 123.5-106.3 -76.0 -13.8 122.6 15.9 35.6
116 116 G T <<5S+ 0 0 19 -3,-1.4 2,-0.6 -4,-0.6 -3,-0.2 0.386 75.1 137.4 103.3 -4.3 119.3 13.9 35.3
117 117 F < - 0 0 45 -5,-2.6 2,-2.2 -6,-0.2 -1,-0.4 -0.670 52.3-140.8 -78.7 122.4 120.9 10.5 34.9
118 118 K - 0 0 151 -2,-0.6 2,-0.2 -3,-0.1 -1,-0.1 -0.543 28.4-177.3 -84.3 82.5 118.8 8.3 37.1
119 119 M - 0 0 14 -2,-2.2 2,-0.1 -10,-0.2 -3,-0.0 -0.580 30.4-109.6 -78.1 141.7 121.6 6.3 38.4
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122 122 D G >> + 0 0 69 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.726 61.3 79.3 -63.1 -20.1 122.4 0.2 44.1
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124 124 F G X> S+ 0 0 40 -3,-2.1 3,-2.0 1,-0.2 4,-0.8 0.708 83.8 81.1 -72.8 -28.4 125.5 2.0 47.7
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126 126 K G 3< S+ 0 0 79 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.781 103.6 51.7 -61.2 -29.9 128.5 -2.6 48.3
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130 130 S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.783 131.0 65.2 -62.2 -22.3 123.8 -7.9 54.6
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136 136 E G > S+ 0 0 135 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.859 99.2 62.3 -65.4 -36.4 130.3 1.6 60.3
137 137 S G 3 S+ 0 0 92 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.681 85.5 80.2 -65.5 -17.8 133.9 1.8 59.1
138 138 L G < + 0 0 32 -3,-1.0 -1,-0.2 -11,-0.2 -2,-0.2 0.857 65.9 97.8 -62.4 -40.5 132.8 3.9 56.1
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143 143 K T 3 S- 0 0 126 1,-0.3 3,-0.1 -3,-0.1 -1,-0.1 -0.672 81.8 -16.2 -87.0 118.7 139.8 11.6 52.2
144 144 G T 3 S+ 0 0 81 -2,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.672 99.7 150.8 70.2 14.8 143.1 13.1 51.1
145 145 M < - 0 0 79 -3,-0.8 -1,-0.3 1,-0.1 2,-0.1 -0.523 46.7-117.0 -83.5 151.7 141.4 16.4 50.9
146 146 L > - 0 0 116 -2,-0.2 3,-0.8 -3,-0.1 5,-0.2 -0.378 24.9-111.4 -79.3 162.5 143.3 19.6 51.5
147 147 S T 3 S+ 0 0 123 1,-0.3 4,-0.2 -2,-0.1 -1,-0.1 0.763 119.9 66.1 -65.1 -23.2 142.5 21.8 54.3
148 148 L T 3 S+ 0 0 84 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.905 79.0 98.1 -63.4 -38.7 141.3 24.2 51.7
149 149 F S < S- 0 0 48 -3,-0.8 2,-2.0 1,-0.2 3,-0.4 -0.217 79.8-133.8 -55.5 131.2 138.6 21.7 50.9
150 150 E + 0 0 4 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.526 49.0 150.6 -87.7 72.6 135.5 22.9 52.6
151 151 A S S+ 0 0 47 -2,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 0.928 74.3 52.0 -65.8 -40.7 134.6 19.5 53.9
152 152 S S S+ 0 0 124 -3,-0.4 2,-1.1 1,-0.1 -1,-0.2 0.946 99.7 65.6 -61.2 -48.8 133.0 21.2 56.8
153 153 H + 0 0 70 -4,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.605 68.9 157.8 -77.9 102.9 130.9 23.4 54.5
154 154 L + 0 0 124 -2,-1.1 -1,-0.1 1,-0.1 -3,-0.1 -0.769 24.0 108.7-135.8 95.3 128.7 20.8 52.9
155 155 S + 0 0 77 -2,-0.4 3,-0.4 1,-0.0 -1,-0.1 -0.471 34.7 165.1-154.3 73.3 125.4 21.9 51.4
156 156 V + 0 0 34 1,-0.3 2,-2.2 2,-0.1 7,-0.1 0.867 63.2 64.6 -67.6 -44.3 126.1 21.6 47.7
157 157 H S S+ 0 0 96 6,-0.0 -1,-0.3 3,-0.0 3,-0.1 -0.117 84.7 115.9 -80.4 51.6 122.7 21.7 46.2
158 158 G S S- 0 0 34 -2,-2.2 2,-0.2 -3,-0.4 -2,-0.1 -0.090 81.6 -41.0 -97.8-163.7 122.3 25.3 47.5
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160 160 D H > S+ 0 0 82 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.948 95.6 44.1 -64.6 -50.5 124.3 28.3 42.7
161 161 I H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 115.5 48.7 -64.4 -41.7 125.6 31.9 42.7
162 162 L H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 114.8 44.6 -64.4 -43.3 126.0 32.0 46.4
163 163 E H X S+ 0 0 43 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.881 110.8 54.8 -67.9 -37.4 127.8 28.7 46.5
164 164 E H X S+ 0 0 55 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.951 108.0 48.7 -61.7 -45.9 130.0 29.7 43.5
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166 166 F H X S+ 0 0 70 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.935 112.1 46.7 -62.8 -47.7 131.9 30.9 48.4
167 167 A H X S+ 0 0 3 -4,-2.8 4,-3.1 -98,-0.2 -2,-0.2 0.946 115.4 45.7 -63.5 -45.4 133.9 28.3 46.6
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169 169 T H < S+ 0 0 113 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.919 112.6 55.0 -63.3 -42.7 136.6 33.1 47.5
170 170 K H < S- 0 0 94 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.964 137.0 -42.1 -59.1 -50.8 137.3 30.1 49.8
171 171 D H < S+ 0 0 75 -4,-3.1 2,-0.2 -5,-0.2 -2,-0.2 -0.145 85.4 116.1 179.4 87.8 139.9 28.9 47.3
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174 174 Q H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.834 107.3 61.9 -68.1 -38.9 141.5 32.6 37.8
175 175 S H > S+ 0 0 11 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.929 102.8 50.6 -60.2 -43.4 139.1 31.5 35.1
176 176 S H >4 S+ 0 0 8 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.896 109.6 49.3 -63.0 -40.7 136.2 31.4 37.6
177 177 A H >< S+ 0 0 52 -4,-1.1 3,-0.6 1,-0.2 -1,-0.2 0.916 108.1 53.9 -64.5 -41.3 136.9 34.9 39.0
178 178 V H 3< S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.624 70.8 120.5 -68.6 -13.0 137.1 36.5 35.5
179 179 E T << - 0 0 23 -3,-0.9 2,-1.6 -4,-0.7 -1,-0.2 0.501 47.5-171.2 -42.7 -25.0 133.7 35.1 34.5
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182 182 P - 0 0 63 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.491 23.2-144.6 -75.1 143.3 126.2 36.1 31.2
183 183 N S S+ 0 0 143 -2,-0.2 2,-0.4 2,-0.0 0, 0.0 0.917 81.5 56.9 -70.1 -45.3 125.1 37.1 27.8
184 184 L S S- 0 0 100 1,-0.1 4,-0.1 2,-0.1 -1,-0.0 -0.706 72.5-143.6-101.6 142.5 121.5 36.0 28.0
185 185 K - 0 0 162 -2,-0.4 -1,-0.1 2,-0.2 -2,-0.0 -0.009 50.7 -76.6 -77.2-170.1 119.0 37.0 30.6
186 186 R S S+ 0 0 196 2,-0.1 -2,-0.1 -2,-0.0 -1,-0.0 0.928 114.1 86.5 -59.9 -42.0 116.5 34.6 31.9
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188 188 I - 0 0 33 1,-0.2 3,-0.4 -4,-0.1 -2,-0.1 -0.947 20.6-142.9-121.9 140.6 115.8 32.6 26.2
189 189 T S S+ 0 0 115 -2,-0.4 2,-2.1 1,-0.3 -1,-0.2 0.919 100.0 62.0 -63.4 -40.9 115.6 32.9 22.4
190 190 N S S+ 0 0 111 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 -0.355 71.3 133.8 -87.9 64.6 115.1 29.2 22.2
191 191 A - 0 0 42 -2,-2.1 2,-0.2 -3,-0.4 3,-0.0 -0.951 47.5-143.7-110.1 123.5 111.9 29.1 24.1
192 192 L > - 0 0 90 -2,-0.6 4,-1.1 1,-0.1 -2,-0.0 -0.596 12.8-130.8 -86.0 151.1 109.2 27.0 22.4
193 193 E H >> S+ 0 0 143 -2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.908 107.5 54.4 -64.1 -41.4 105.7 28.2 22.6
194 194 Q H 34 S+ 0 0 134 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.892 104.2 53.6 -63.6 -40.8 104.6 24.7 23.7
195 195 P H 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.825 106.5 54.5 -63.9 -29.2 106.9 24.6 26.5
196 196 F H << S+ 0 0 149 -4,-1.1 3,-0.5 -3,-0.5 2,-0.3 0.877 91.0 83.6 -72.2 -39.3 105.6 27.9 27.9
197 197 H S < S- 0 0 128 -4,-1.4 -1,-0.0 1,-0.2 -4,-0.0 -0.528 105.8 -34.4 -91.7 132.0 102.0 27.2 28.2
198 198 S S S+ 0 0 117 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.756 71.3 151.6 45.9 46.1 100.1 25.5 31.0
199 199 G - 0 0 43 -3,-0.5 -1,-0.1 -4,-0.2 -2,-0.1 0.917 24.9-171.7 -67.1 -40.0 102.8 23.1 31.9
200 200 V + 0 0 121 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 0.836 27.1 164.1 46.6 40.0 101.6 22.9 35.5
201 201 P > - 0 0 47 0, 0.0 2,-1.6 0, 0.0 3,-1.2 0.034 65.3 -71.4 -71.4-172.2 104.8 20.9 36.0
202 202 R T 3> S+ 0 0 137 1,-0.3 4,-0.7 2,-0.1 3,-0.5 -0.091 100.5 119.5 -77.8 45.5 106.1 20.4 39.4
203 203 L H 3> + 0 0 78 -2,-1.6 4,-2.9 1,-0.2 -1,-0.3 0.717 60.7 75.4 -70.3 -26.5 106.9 24.1 39.2
204 204 E H <> S+ 0 0 99 -3,-1.2 4,-3.4 1,-0.3 -1,-0.2 0.886 88.9 54.0 -55.6 -40.0 104.5 24.2 42.1
205 205 A H > S+ 0 0 3 -3,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.934 109.4 48.3 -60.5 -41.6 107.4 22.8 44.1
206 206 R H X S+ 0 0 61 -4,-0.7 4,-1.8 1,-0.2 -2,-0.3 0.914 112.2 48.9 -62.7 -42.2 109.4 25.7 42.9
207 207 K H X S+ 0 0 114 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.932 110.5 50.3 -64.8 -44.0 106.6 28.1 43.7
208 208 F H X S+ 0 0 69 -4,-3.4 4,-3.1 1,-0.2 5,-0.3 0.900 105.5 56.2 -62.4 -40.2 106.2 26.7 47.2
209 209 I H X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.938 109.1 47.1 -58.2 -44.8 109.9 26.9 47.9
210 210 D H X S+ 0 0 63 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.921 113.3 48.0 -63.6 -42.4 109.8 30.6 47.2
211 211 L H < S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.962 114.9 45.1 -62.9 -48.5 106.7 31.2 49.3
212 212 Y H < S+ 0 0 63 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.867 106.4 57.8 -61.4 -43.3 108.1 29.2 52.2
213 213 E H < S+ 0 0 92 -4,-2.9 2,-0.3 -5,-0.3 -1,-0.2 0.932 96.0 72.8 -59.3 -41.1 111.5 30.9 52.1
214 214 A S < S- 0 0 51 -4,-2.0 2,-0.0 -5,-0.2 0, 0.0 -0.585 98.3-127.7 -67.5 132.8 109.5 34.0 52.5
215 215 D - 0 0 114 -2,-0.3 2,-0.5 1,-0.1 3,-0.1 -0.237 10.4-122.5 -82.1 172.7 108.6 33.8 56.1
216 216 I + 0 0 42 1,-0.2 4,-0.1 -4,-0.1 10,-0.1 -0.945 24.7 177.0-121.8 112.6 105.1 34.1 57.5
217 217 E + 0 0 184 -2,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.860 67.5 87.8 -71.9 -36.3 104.3 36.7 60.1
218 218 C S S- 0 0 100 1,-0.1 2,-0.1 -3,-0.1 -2,-0.1 -0.204 102.1 -88.1 -61.8 153.6 100.7 35.6 59.9
219 219 R + 0 0 249 2,-0.0 2,-0.2 3,-0.0 -1,-0.1 -0.433 66.6 146.8 -67.3 137.6 99.9 32.8 62.2
220 220 N - 0 0 98 -4,-0.1 3,-0.1 -2,-0.1 5,-0.0 -0.792 65.5 -73.1-151.8-170.2 100.5 29.5 60.5
221 221 E S S- 0 0 128 1,-0.3 2,-0.3 -2,-0.2 3,-0.1 0.976 93.5 -70.8 -62.2 -53.5 101.6 26.1 61.6
222 222 T > - 0 0 41 1,-0.1 4,-1.8 -3,-0.1 -1,-0.3 -0.899 28.5-102.6 171.7 163.9 105.1 27.2 62.1
223 223 L H > S+ 0 0 74 -2,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.888 122.4 55.3 -67.3 -38.0 108.3 28.4 60.5
224 224 L H > S+ 0 0 114 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.919 107.7 48.2 -62.0 -42.4 109.7 24.9 61.1
225 225 E H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.875 106.8 57.0 -65.8 -34.7 106.8 23.4 59.3
226 226 F H X S+ 0 0 26 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.918 105.0 52.3 -60.7 -40.2 107.3 25.9 56.5
227 227 A H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.921 104.6 55.2 -61.4 -41.2 110.8 24.5 56.2
228 228 K H X S+ 0 0 113 -4,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.897 105.4 52.8 -60.2 -39.1 109.4 21.0 56.0
229 229 L H X S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.911 107.7 51.2 -62.4 -40.6 107.3 22.1 53.0
230 230 D H X S+ 0 0 27 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.904 109.1 51.7 -62.5 -40.1 110.4 23.5 51.4
231 231 Y H X S+ 0 0 155 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.917 109.1 49.1 -63.4 -43.4 112.1 20.1 52.0
232 232 N H X S+ 0 0 88 -4,-2.6 4,-1.8 1,-0.2 3,-0.2 0.955 111.3 50.5 -61.3 -44.3 109.3 18.3 50.4
233 233 R H X S+ 0 0 44 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.855 105.3 55.8 -63.1 -37.3 109.3 20.6 47.4
234 234 V H X S+ 0 0 69 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.922 105.1 52.6 -63.5 -39.4 113.0 20.2 46.9
235 235 Q H X S+ 0 0 100 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.911 108.7 50.7 -61.8 -40.1 112.6 16.5 46.7
236 236 L H X S+ 0 0 56 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.913 109.0 51.2 -63.1 -39.6 110.0 17.0 44.0
237 237 L H X S+ 0 0 12 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.912 107.6 52.6 -63.1 -40.6 112.4 19.3 42.2
238 238 H H < S+ 0 0 63 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.906 110.9 47.1 -62.2 -41.5 115.1 16.6 42.3
239 239 Q H >X S+ 0 0 111 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.877 106.8 58.1 -65.5 -38.1 112.7 14.1 40.8
240 240 Q H >< S+ 0 0 22 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.784 89.7 74.8 -62.8 -29.7 111.6 16.6 38.2
241 241 E T 3< S+ 0 0 44 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.714 92.2 53.4 -58.8 -30.3 115.2 16.9 37.0
242 242 L T <4 S+ 0 0 61 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.865 93.5 98.0 -70.9 -35.0 115.0 13.5 35.4
243 243 C S << S- 0 0 55 -3,-0.9 2,-0.6 -4,-0.5 -3,-0.0 0.213 80.8 -98.2 -58.5 168.6 111.8 14.5 33.3
244 244 Q S S+ 0 0 194 3,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.839 73.7 98.2-101.5 120.9 111.6 15.7 29.7
245 245 F S S- 0 0 87 -2,-0.6 2,-0.2 0, 0.0 3,-0.1 -0.833 90.3 -58.8-177.3 170.7 111.4 19.4 29.0
246 246 S > - 0 0 33 -2,-0.3 4,-1.7 1,-0.2 3,-0.1 -0.516 40.4-143.6 -69.8 139.7 114.3 21.5 28.1
247 247 K H > S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.858 103.8 63.0 -64.2 -32.1 116.8 21.4 30.8
248 248 W H 4 S+ 0 0 122 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.924 108.2 39.6 -57.5 -47.4 117.4 25.0 30.1
249 249 W H 4 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.790 104.3 69.3 -70.2 -29.9 113.8 25.6 31.1
250 250 K H < + 0 0 31 -4,-1.7 -1,-0.2 -9,-0.1 -2,-0.2 0.855 68.4 149.0 -58.1 -37.7 114.1 23.2 34.0
251 251 D >< - 0 0 79 -4,-1.4 3,-0.7 -3,-0.4 -3,-0.1 0.465 34.0-165.7 -12.1 105.3 116.5 25.6 35.8
252 252 L T 3 + 0 0 68 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.653 67.0 101.5 -68.1 -22.1 116.0 25.1 39.5
253 253 N T 3 + 0 0 70 1,-0.3 2,-2.6 2,-0.1 -1,-0.2 0.799 69.5 63.0 -45.6 -45.3 117.9 28.3 39.9
254 254 L < 0 0 75 -3,-0.7 -1,-0.3 1,-0.1 -44,-0.1 -0.567 360.0 360.0 -81.1 84.7 114.8 30.2 40.5
255 255 A 0 0 34 -2,-2.6 -1,-0.1 -46,-0.1 -48,-0.1 -0.652 360.0 360.0-136.7 360.0 114.2 28.1 43.6