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 .
668 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
33181.3 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
428 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
19 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
70 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
3 0.4 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 .
66 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
45 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
184 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
8 1.2 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 1 0 2 2 1 2 1 1 1 1 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX .
0 0 3 0 0 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 PARALLEL BRIDGES PER LADDER .
1 3 3 3 2 0 2 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 .
2 2 1 2 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 D 0 0 162 0, 0.0 182,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 168.6 -17.9 10.7 16.6
2 2 V - 0 0 45 1,-0.1 182,-0.4 181,-0.1 181,-0.2 0.902 360.0-179.2 -65.5 -42.2 -15.1 11.1 14.2
3 3 K - 0 0 102 180,-0.1 2,-0.6 179,-0.1 -1,-0.1 -0.206 52.5 -24.5 66.1-169.3 -12.6 11.0 16.9
4 4 R - 0 0 68 177,-0.2 180,-0.4 -3,-0.1 2,-0.3 -0.681 69.3-147.6 -86.0 127.3 -9.0 11.4 15.9
5 5 L - 0 0 4 -2,-0.6 23,-0.5 472,-0.2 2,-0.3 -0.708 9.9-152.9 -94.1 137.2 -8.5 10.4 12.3
6 6 I E -a 185 0A 0 178,-1.4 180,-2.8 -2,-0.3 2,-0.5 -0.760 8.4-137.4-111.0 152.6 -5.2 8.8 11.3
7 7 G E -aB 186 26A 0 19,-2.8 19,-2.3 -2,-0.3 2,-0.5 -0.949 23.2-168.4-109.0 126.7 -3.5 8.9 7.9
8 8 R E -aB 187 25A 8 178,-3.1 180,-1.9 -2,-0.5 2,-0.8 -0.952 16.8-154.3-123.5 126.0 -2.0 5.6 6.9
9 9 K E - B 0 24A 2 15,-2.8 15,-1.0 -2,-0.5 2,-0.9 -0.858 13.9-158.4 -92.9 109.0 0.4 4.9 4.0
10 10 F - 0 0 11 -2,-0.8 42,-0.1 178,-0.2 40,-0.1 -0.791 23.5-177.6 -91.3 103.6 -0.1 1.3 3.1
11 11 D - 0 0 3 -2,-0.9 41,-0.2 40,-0.3 84,-0.1 0.338 25.9-110.2 -90.1-149.3 3.1 0.5 1.4
12 12 D + 0 0 0 1,-0.2 81,-0.7 39,-0.2 40,-0.4 0.746 68.0 17.5-116.4 -67.0 4.4 -2.6 -0.4
13 13 K - 0 0 38 38,-0.1 37,-2.5 79,-0.1 2,-0.3 -0.654 64.1 -95.1-129.0 178.6 7.3 -4.6 1.0
14 14 E + 0 0 16 35,-0.3 2,-0.3 -2,-0.2 8,-0.1 -0.592 38.8 156.3 -89.5 141.5 9.5 -5.5 3.9
15 15 V - 0 0 0 6,-0.5 5,-0.2 -2,-0.3 2,-0.1 -0.960 45.0 -91.2-154.8 157.1 12.9 -4.0 4.8
16 16 Q - 0 0 15 -2,-0.3 350,-0.1 2,-0.2 32,-0.0 -0.425 47.0 -99.6 -74.4 157.4 14.9 -3.7 8.0
17 17 R S > S+ 0 0 109 2,-0.2 3,-2.2 348,-0.1 2,-0.6 0.792 106.7 84.1 -51.5 -44.5 14.5 -0.7 10.1
18 18 D T 3 S- 0 0 38 1,-0.3 341,-0.3 341,-0.1 -2,-0.2 -0.494 128.8 -17.9 -62.7 114.7 17.6 1.0 8.8
19 19 K T 3 S- 0 0 82 -2,-0.6 -1,-0.3 1,-0.2 2,-0.2 0.911 101.0-179.5 54.8 44.3 16.0 2.5 5.7
20 20 K < - 0 0 11 -3,-2.2 2,-0.2 -5,-0.2 -1,-0.2 -0.523 30.5-121.8 -79.5 144.0 13.1 0.1 6.1
21 21 L + 0 0 2 -2,-0.2 -6,-0.5 -3,-0.1 -1,-0.1 -0.556 49.6 170.2 -75.4 149.9 10.3 0.1 3.7
22 22 V - 0 0 7 27,-0.3 2,-0.4 -2,-0.2 28,-0.3 -0.982 49.0-128.4-160.2 158.5 7.2 0.8 5.6
23 23 P - 0 0 0 0, 0.0 25,-0.8 0, 0.0 24,-0.4 -0.917 46.3-166.0 -96.2 143.9 3.6 1.6 5.8
24 24 Y E -B 9 0A 7 -15,-1.0 -15,-2.8 -2,-0.4 2,-0.4 -0.976 14.9-147.3-138.3 159.6 3.6 4.5 8.2
25 25 E E +B 8 0A 0 13,-0.4 13,-2.2 20,-0.4 2,-0.3 -0.922 17.3 175.3-122.4 146.9 1.0 6.3 10.1
26 26 I E -BC 7 37A 1 -19,-2.3 -19,-2.8 -2,-0.4 2,-0.3 -0.938 12.9-154.1-143.6 161.2 0.7 9.9 11.1
27 27 V E - C 0 36A 0 9,-2.2 9,-3.3 -2,-0.3 2,-0.8 -0.964 23.0-123.7-135.7 153.2 -1.7 12.2 12.8
28 28 N E - C 0 35A 6 -23,-0.5 2,-0.3 446,-0.3 3,-0.2 -0.880 47.6-179.5 -97.1 113.6 -2.3 15.9 12.6
29 29 K > + 0 0 78 5,-1.0 3,-1.6 -2,-0.8 5,-0.3 -0.795 48.0 18.8-124.7 159.2 -1.8 17.0 16.1
30 30 D T 3 S- 0 0 122 1,-0.3 -1,-0.2 -2,-0.3 457,-0.1 0.620 107.4 -94.7 62.8 14.6 -2.0 20.1 18.3
31 31 G T 3 S+ 0 0 22 -3,-0.2 456,-1.7 1,-0.2 -1,-0.3 0.689 92.7 130.4 57.9 17.7 -4.0 21.5 15.5
32 32 K S < S- 0 0 118 -3,-1.6 -1,-0.2 2,-0.4 454,-0.0 -0.346 82.4-100.3 -95.7 178.8 -0.7 22.9 14.3
33 33 P S S+ 0 0 58 0, 0.0 2,-0.4 0, 0.0 200,-0.2 0.474 99.6 100.1 -71.1 -2.3 0.8 22.7 10.9
34 34 Y - 0 0 109 -5,-0.3 -5,-1.0 198,-0.1 -2,-0.4 -0.721 56.3-167.7 -97.1 136.8 2.8 20.0 12.5
35 35 I E -C 28 0A 2 -2,-0.4 2,-0.6 -7,-0.2 -7,-0.3 -0.919 17.1-132.3-120.6 141.1 1.8 16.4 11.8
36 36 Q E -C 27 0A 50 -9,-3.3 -9,-2.2 -2,-0.4 2,-0.6 -0.881 4.0-149.9-107.0 125.1 3.3 13.6 13.9
37 37 V E -C 26 0A 11 -2,-0.6 -11,-0.2 -11,-0.2 2,-0.2 -0.794 30.9-130.5 -86.6 120.0 4.6 10.5 12.3
38 38 K - 0 0 3 -13,-2.2 -13,-0.4 -2,-0.6 2,-0.4 -0.496 9.1-135.1 -82.5 142.1 4.0 7.8 15.0
39 39 I - 0 0 76 -2,-0.2 6,-0.3 133,-0.1 4,-0.1 -0.749 19.9-132.7 -93.7 137.1 6.7 5.5 16.1
40 40 K B >> -E 44 0B 30 4,-2.7 3,-2.2 -2,-0.4 4,-0.6 -0.265 42.7 -76.0 -78.9 165.8 5.8 1.8 16.5
41 41 D T 34 S+ 0 0 85 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 -0.554 130.7 54.7 -59.2 134.3 6.6 -0.3 19.5
42 42 G T 34 S- 0 0 37 -2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.247 123.7-103.3 110.7 -8.4 10.2 -0.8 18.7
43 43 E T <4 S+ 0 0 160 -3,-2.2 2,-0.6 1,-0.2 -2,-0.2 0.831 76.1 142.1 59.4 38.8 10.5 3.0 18.6
44 44 T B < -E 40 0B 13 -4,-0.6 -4,-2.7 1,-0.2 -1,-0.2 -0.943 42.8-161.8-115.1 122.9 10.6 3.1 14.8
45 45 K S S+ 0 0 96 -2,-0.6 2,-1.2 -6,-0.3 -20,-0.4 0.908 85.7 82.5 -63.3 -39.2 8.7 5.9 13.0
46 46 V S S- 0 0 20 1,-0.2 -6,-0.1 -3,-0.1 -22,-0.1 -0.585 89.1-146.8 -65.4 104.9 9.0 3.7 10.1
47 47 F - 0 0 1 -2,-1.2 23,-0.3 -24,-0.4 -1,-0.2 0.880 50.0 -67.5 -51.2 -52.4 6.0 1.8 11.3
48 48 S S S- 0 0 0 -25,-0.8 -1,-0.1 21,-0.1 3,-0.1 -0.966 82.6 -22.5 178.8-173.1 7.2 -1.4 10.0
49 49 P S S- 0 0 0 0, 0.0 -27,-0.3 0, 0.0 -35,-0.3 -0.304 86.0 -87.1 -57.7 142.5 7.8 -3.3 6.8
50 50 E S > S- 0 0 0 -37,-2.5 3,-2.1 -28,-0.3 43,-0.3 0.059 87.0 -10.0 -53.2 149.1 5.8 -1.7 3.9
51 51 E T 3 S- 0 0 2 1,-0.3 -40,-0.3 -42,-0.3 -39,-0.2 -0.426 143.8 -4.4 77.8-129.8 2.3 -2.6 3.1
52 52 I T 3 S- 0 0 0 1,-0.4 2,-0.6 -40,-0.4 -1,-0.3 0.784 96.3-155.7 -60.1 -34.6 1.1 -5.6 4.8
53 53 S < - 0 0 0 -3,-2.1 40,-0.6 -41,-0.4 -1,-0.4 -0.767 48.6 -50.5 87.1-126.1 4.6 -5.5 5.9
54 54 A E -F 92 0C 0 -2,-0.6 15,-2.1 -5,-0.2 2,-0.4 -0.935 54.9-159.6-134.6 153.2 4.9 -8.9 6.7
55 55 M E -FG 91 68C 13 36,-1.6 36,-1.8 -2,-0.3 2,-0.3 -0.967 15.3-179.4-127.4 148.5 2.7 -11.1 8.8
56 56 I E - G 0 67C 1 11,-2.4 11,-2.7 -2,-0.4 2,-0.4 -0.985 23.6-155.2-144.6 155.6 3.8 -14.3 10.3
57 57 L E - G 0 66C 1 -2,-0.3 32,-0.3 9,-0.2 2,-0.2 -0.965 25.1-143.8-128.7 117.5 2.5 -17.1 12.4
58 58 T - 0 0 26 7,-1.6 3,-0.4 -2,-0.4 7,-0.3 -0.542 9.4-146.4 -82.8 144.4 5.2 -18.8 14.3
59 59 K S S+ 0 0 68 1,-0.3 2,-2.9 -2,-0.2 5,-0.2 0.933 99.5 65.8 -66.8 -43.7 5.0 -22.5 14.8
60 60 M S S+ 0 0 177 1,-0.1 -1,-0.3 4,-0.1 2,-0.2 -0.277 88.4 76.0 -82.0 57.3 6.7 -22.0 18.1
61 61 K > - 0 0 81 -2,-2.9 3,-2.1 -3,-0.4 4,-0.4 -0.678 67.7-162.6-161.2 100.0 3.7 -20.1 19.3
62 62 E T 3 S+ 0 0 179 1,-0.3 -2,-0.1 2,-0.2 88,-0.0 0.866 90.9 62.0 -61.9 -34.7 1.0 -22.5 20.1
63 63 T T 3 S- 0 0 61 86,-0.2 -1,-0.3 1,-0.1 3,-0.2 0.248 121.4-110.4 -78.0 23.8 -1.6 -19.8 20.0
64 64 A < - 0 0 0 -3,-2.1 -2,-0.2 -5,-0.2 -1,-0.1 0.939 44.0-145.0 50.5 49.5 -0.5 -19.4 16.4
65 65 E - 0 0 19 -4,-0.4 -7,-1.6 -7,-0.3 2,-0.5 -0.199 8.0-144.3 -55.7 129.1 1.0 -16.2 17.5
66 66 A E -G 57 0C 3 -9,-0.2 2,-0.4 -3,-0.2 -9,-0.2 -0.824 15.6-169.2 -99.3 131.7 0.7 -13.7 14.8
67 67 Y E -G 56 0C 35 -11,-2.7 -11,-2.4 -2,-0.5 2,-0.4 -0.905 2.6-171.9-118.0 146.0 3.4 -11.2 14.3
68 68 L E > -G 55 0C 6 -2,-0.4 3,-0.6 -13,-0.2 2,-0.4 -0.998 49.0 -0.1-137.1 146.0 3.2 -8.2 12.1
69 69 G T 3> S+ 0 0 0 -15,-2.1 4,-2.2 -2,-0.4 5,-0.2 -0.669 123.2 4.8 89.9-136.8 5.8 -5.7 11.0
70 70 K H 3> S+ 0 0 62 -2,-0.4 4,-2.3 -23,-0.3 -1,-0.2 0.883 129.5 53.2 -58.0 -44.4 9.4 -5.9 12.2
71 71 K H <> S+ 0 0 102 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.933 109.9 47.2 -63.8 -44.2 9.1 -9.1 14.0
72 72 I H > S+ 0 0 0 -18,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.928 111.0 51.7 -63.4 -41.5 7.6 -11.0 11.1
73 73 K H >< S+ 0 0 20 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.901 106.8 53.0 -62.7 -38.0 10.2 -9.7 8.8
74 74 D H 3< S+ 0 0 64 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.900 109.7 50.0 -62.1 -39.9 13.1 -10.8 11.0
75 75 A H 3X S+ 0 0 23 -4,-1.6 4,-2.5 1,-0.2 3,-0.3 0.597 84.3 94.6 -68.2 -22.2 11.6 -14.3 11.1
76 76 V T << S+ 0 0 7 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.1 0.851 83.7 45.6 -52.2 -48.9 11.2 -14.7 7.4
77 77 V T 4 S+ 0 0 57 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.925 112.0 54.2 -61.5 -41.4 14.5 -16.5 6.6
78 78 T T 4 S+ 0 0 108 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.921 125.8 18.8 -61.1 -46.7 14.0 -18.8 9.5
79 79 V S < S- 0 0 18 -4,-2.5 11,-0.5 268,-0.0 -1,-0.3 -0.854 76.7-150.6-135.9 116.2 10.6 -19.8 8.3
80 80 P - 0 0 5 0, 0.0 10,-0.5 0, 0.0 48,-0.1 0.007 52.5 -72.5 -63.5 177.1 9.6 -19.3 4.7
81 81 A S S- 0 0 0 8,-0.2 2,-0.3 46,-0.1 48,-0.2 0.878 85.8 -88.1 -55.8 -54.0 5.9 -18.7 4.2
82 82 Y - 0 0 8 7,-0.1 46,-1.7 60,-0.1 -1,-0.1 -0.923 20.8-104.7-176.9-153.5 4.7 -22.2 4.8
83 83 F S S+ 0 0 40 60,-0.8 47,-0.2 1,-0.5 45,-0.1 0.159 76.1 21.8-129.4-114.7 3.8 -25.8 4.0
84 84 N S S- 0 0 85 59,-0.3 -1,-0.5 1,-0.2 59,-0.2 0.146 94.6 -64.6 -63.0 176.1 0.3 -27.2 3.6
85 85 D S S+ 0 0 96 57,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.284 87.8 84.3 -65.9 147.3 -2.9 -25.5 2.8
86 86 A S S- 0 0 1 68,-0.3 56,-0.4 67,-0.2 2,-0.3 -0.919 81.9 -84.7 149.5-163.8 -4.3 -23.0 5.3
87 87 Q S S+ 0 0 12 54,-0.4 2,-0.2 55,-0.3 68,-0.2 -0.827 73.6 80.2-136.6 112.6 -3.3 -19.3 5.7
88 88 R + 0 0 17 -2,-0.3 55,-0.2 2,-0.1 -33,-0.1 -0.766 40.1 61.6-166.2-149.4 -0.3 -18.3 7.7
89 89 Q S S+ 0 0 3 -32,-0.3 -34,-0.2 -2,-0.2 -8,-0.2 0.379 94.2 4.9 20.4-154.6 3.4 -17.8 8.4
90 90 A S S+ 0 0 0 -10,-0.5 2,-0.3 -11,-0.5 -34,-0.2 -0.211 70.6 163.2 -57.7 124.3 5.6 -15.4 6.5
91 91 T E +F 55 0C 4 -36,-1.8 -36,-1.6 -11,-0.1 2,-0.3 -0.996 2.6 151.9-139.5 139.6 3.6 -13.4 4.0
92 92 K E +F 54 0C 15 -2,-0.3 -38,-0.1 -38,-0.2 -79,-0.1 -0.962 49.0 45.4-157.2 168.7 4.7 -10.2 2.3
93 93 D > + 0 0 12 -81,-0.7 3,-1.4 -40,-0.6 4,-0.5 0.796 59.5 149.1 61.9 31.9 4.2 -8.2 -0.9
94 94 A G >> + 0 0 3 -41,-0.3 4,-2.4 1,-0.3 3,-1.0 0.757 58.8 74.8 -65.1 -26.6 0.4 -8.7 -0.6
95 95 G G 34 S+ 0 0 7 -83,-0.4 -1,-0.3 1,-0.3 -83,-0.1 0.777 89.9 57.4 -58.3 -30.4 -0.1 -5.3 -2.2
96 96 V G <4 S+ 0 0 6 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.813 114.2 38.2 -67.7 -36.1 0.9 -7.0 -5.5
97 97 I T X4 S+ 0 0 6 -3,-1.0 3,-1.9 -4,-0.5 -2,-0.2 0.765 87.7 112.9 -80.1 -35.1 -2.0 -9.5 -5.1
98 98 A T 3< S+ 0 0 6 -4,-2.4 3,-0.1 1,-0.3 105,-0.1 -0.111 87.6 3.8 -56.0 135.3 -4.7 -7.3 -3.6
99 99 G T 3 S+ 0 0 4 1,-0.3 -1,-0.3 97,-0.1 2,-0.2 0.589 104.0 122.0 74.7 11.6 -7.8 -6.7 -5.7
100 100 L < - 0 0 8 -3,-1.9 -1,-0.3 38,-0.1 2,-0.2 -0.675 57.8-127.7-108.2 160.2 -6.5 -9.0 -8.5
101 101 E - 0 0 38 -2,-0.2 3,-0.5 36,-0.2 36,-0.3 -0.590 25.8-114.4 -96.4 164.0 -8.0 -12.0 -10.1
102 102 K S S+ 0 0 66 34,-2.0 6,-0.2 1,-0.2 35,-0.1 0.879 114.6 60.3 -63.7 -37.9 -6.2 -15.4 -10.4
103 103 I S S+ 0 0 139 33,-0.4 -1,-0.2 4,-0.1 5,-0.1 0.769 76.7 116.1 -62.4 -31.8 -6.2 -15.0 -14.2
104 104 E > - 0 0 20 -3,-0.5 4,-2.1 1,-0.2 5,-0.1 -0.129 64.0-144.1 -46.8 128.5 -4.2 -11.8 -14.0
105 105 T H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 99.4 59.4 -64.7 -36.2 -0.9 -12.3 -15.7
106 106 A H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 106.6 46.9 -61.0 -42.7 0.8 -10.1 -13.1
107 107 T H > S+ 0 0 1 -6,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 111.9 49.7 -64.3 -44.5 -0.4 -12.4 -10.3
108 108 K H X S+ 0 0 107 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.910 114.4 45.4 -62.3 -40.7 0.8 -15.5 -12.1
109 109 E H X S+ 0 0 23 -4,-2.8 4,-0.8 1,-0.2 3,-0.4 0.918 114.5 47.7 -67.3 -44.2 4.2 -13.9 -12.8
110 110 A H >X S+ 0 0 3 -4,-2.7 4,-1.7 1,-0.2 3,-0.9 0.881 100.9 64.2 -65.6 -39.6 4.6 -12.6 -9.2
111 111 L H 3< S+ 0 0 30 -4,-2.6 5,-0.4 1,-0.3 -1,-0.2 0.850 95.9 59.1 -58.1 -35.5 3.6 -15.9 -7.5
112 112 E H 3< S+ 0 0 128 -4,-0.9 -1,-0.3 -3,-0.4 230,-0.2 0.913 106.2 49.0 -58.5 -42.5 6.6 -17.6 -9.0
113 113 W H << S+ 0 0 72 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.870 99.2 80.0 -66.5 -39.3 8.8 -15.1 -7.2
114 114 L S < S- 0 0 10 -4,-1.7 -21,-0.0 1,-0.1 17,-0.0 0.073 114.0 -80.5 -61.9-176.8 7.1 -15.5 -3.9
115 115 D S S+ 0 0 1 13,-0.1 4,-0.2 -25,-0.1 -1,-0.1 0.680 91.9 131.8 -60.0 -17.3 7.9 -18.3 -1.6
116 116 D + 0 0 10 13,-0.5 227,-0.2 -5,-0.4 226,-0.2 -0.179 42.9 77.9 -40.0 100.4 5.5 -20.1 -3.9
117 117 N S S- 0 0 24 -2,-0.1 2,-1.3 225,-0.1 12,-0.1 -0.503 90.1 -99.3 159.1 141.0 7.5 -23.2 -4.7
118 118 Q + 0 0 97 -2,-0.2 2,-0.4 8,-0.2 10,-0.2 -0.634 61.1 147.9 -84.9 103.7 8.1 -26.3 -2.7
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386 386 S E 3 S+ 0 0F 78 4,-0.3 -1,-0.3 -2,-0.3 6,-0.3 0.934 83.2 164.9 51.8 50.7 26.6 -21.7 4.4
387 387 L E < + 0 0F 15 4,-1.4 2,-0.4 -3,-0.8 5,-0.2 0.940 62.2 1.9 -66.3 -48.7 24.5 -20.4 1.6
388 388 F E > S-N 391 0F 26 3,-1.6 3,-3.0 1,-0.1 -1,-0.3 -0.975 133.2 -15.4-149.0 128.1 23.9 -23.7 -0.1
389 389 D T 3 S- 0 0 125 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.794 125.8 -55.9 49.7 35.0 24.9 -27.2 0.7
390 390 G T 3 S+ 0 0 56 1,-0.3 -4,-0.3 -4,-0.2 -1,-0.3 0.327 107.8 130.8 86.9 -8.8 27.5 -25.8 3.1
391 391 V E < -N 388 0F 54 -3,-3.0 -3,-1.6 -5,-0.2 -4,-1.4 -0.546 55.5-126.2 -83.4 147.0 29.1 -23.7 0.4
392 392 D E - 0 0F 86 -6,-0.3 2,-0.5 -2,-0.2 -7,-0.2 -0.491 15.2-143.0 -84.3 158.6 29.7 -20.0 1.1
393 393 F E +N 384 0F 11 -9,-2.6 -9,-2.5 -2,-0.2 2,-0.3 -0.991 29.0 157.3-124.1 126.6 28.5 -17.3 -1.2
394 394 S E +N 383 0F 60 -2,-0.5 -11,-0.2 -11,-0.2 -2,-0.0 -0.875 9.4 143.0-150.1 119.0 30.6 -14.2 -1.8
395 395 E E -N 382 0F 91 -13,-2.2 -13,-2.9 -2,-0.3 2,-0.3 -0.993 40.0-121.5-154.0 146.1 30.3 -12.0 -4.8
396 396 P E -N 381 0F 85 0, 0.0 2,-0.5 0, 0.0 -15,-0.2 -0.671 15.4-156.7 -87.8 149.0 30.5 -8.3 -5.5
397 397 L E -N 380 0F 17 -17,-3.1 -17,-2.0 -2,-0.3 2,-0.2 -0.984 11.1-154.1-125.5 119.7 27.7 -6.3 -7.0
398 398 T E > -N 379 0F 41 -2,-0.5 4,-2.1 -19,-0.2 -19,-0.2 -0.529 23.4-124.7 -88.4 158.1 28.8 -3.1 -8.8
399 399 R H > S+ 0 0 63 -21,-2.9 4,-2.5 1,-0.2 5,-0.2 0.885 114.4 56.5 -66.1 -36.2 26.4 -0.2 -9.2
400 400 A H > S+ 0 0 54 -22,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.912 107.3 47.3 -61.6 -42.8 27.1 -0.4 -12.9
401 401 R H > S+ 0 0 87 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.906 110.0 52.4 -66.0 -40.4 25.9 -4.0 -12.9
402 402 F H X S+ 0 0 11 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.918 111.7 47.1 -61.0 -42.7 22.8 -3.2 -10.9
403 403 E H < S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 111.1 51.0 -67.0 -39.0 22.0 -0.5 -13.4
404 404 E H >< S+ 0 0 111 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.928 107.7 54.0 -63.6 -42.7 22.6 -2.8 -16.3
405 405 L H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 121.9 28.4 -62.7 -34.9 20.4 -5.4 -14.9
406 406 N T 3X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.3 0.103 83.1 118.1-116.5 30.2 17.5 -3.0 -14.5
407 407 N H <> S+ 0 0 84 -3,-1.3 4,-2.1 1,-0.2 5,-0.1 0.911 78.2 46.9 -64.8 -42.3 18.2 -0.6 -17.3
408 408 D H > S+ 0 0 33 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.959 112.8 50.0 -63.4 -45.0 15.0 -1.2 -19.2
409 409 L H > S+ 0 0 5 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.915 110.6 48.5 -61.7 -43.7 12.9 -1.0 -16.1
410 410 F H >< S+ 0 0 14 -4,-2.6 3,-1.1 1,-0.2 4,-0.2 0.931 111.4 51.7 -62.3 -41.5 14.4 2.2 -15.0
411 411 R H >< S+ 0 0 171 -4,-2.1 3,-1.9 1,-0.3 4,-0.3 0.832 98.5 64.3 -63.0 -36.9 13.9 3.6 -18.5
412 412 K H >< S+ 0 0 92 -4,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.751 85.0 75.0 -61.6 -24.1 10.2 2.6 -18.6
413 413 T T S+ 0 0 22 -3,-1.9 4,-2.2 -4,-0.2 3,-0.4 0.811 86.6 70.7 -66.3 -32.0 9.8 7.9 -18.3
415 415 G H <> S+ 0 0 28 -3,-1.5 4,-1.5 -4,-0.3 -1,-0.2 0.894 96.2 48.8 -59.7 -44.1 6.8 6.8 -20.3
416 416 P H > S+ 0 0 12 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.847 109.2 53.4 -65.4 -30.8 4.2 7.8 -17.7
417 417 V H X S+ 0 0 2 -4,-0.7 4,-1.8 -3,-0.4 3,-0.2 0.935 109.3 48.7 -64.4 -44.6 5.8 11.2 -17.2
418 418 K H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.759 110.4 52.9 -64.0 -31.7 5.5 11.7 -20.9
419 419 R H X S+ 0 0 134 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.789 107.9 48.6 -70.5 -39.5 1.9 10.5 -20.7
420 420 G H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.2 -2,-0.2 0.830 104.5 67.6 -66.9 -34.6 1.0 13.0 -18.0
421 421 T H <>S+ 0 0 7 -4,-1.8 5,-0.7 1,-0.2 -2,-0.2 0.964 110.3 26.1 -50.9 -71.1 2.7 15.6 -20.2
422 422 P H >45S+ 0 0 59 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.833 111.8 69.6 -68.9 -30.4 0.3 15.7 -23.1
423 423 Q H 3<5S+ 0 0 50 -4,-1.5 2,-1.0 1,-0.4 -2,-0.2 0.927 108.8 38.1 -60.5 -42.2 -2.7 14.6 -21.0
424 424 I T 3<5S- 0 0 13 -4,-2.3 -1,-0.4 -3,-0.2 2,-0.3 -0.709 102.6-140.1-102.8 88.8 -2.5 17.9 -19.3
425 425 E T < 5 + 0 0 140 -2,-1.0 2,-0.3 -3,-0.7 -169,-0.2 -0.167 64.3 101.6 -51.7 99.8 -1.6 19.8 -22.5
426 426 V S > + 0 0 16 -170,-0.3 4,-2.4 -172,-0.3 5,-0.6 -0.872 40.8 165.1-118.6 98.1 4.7 22.0 -20.9
428 428 F T 45S+ 0 0 0 -2,-0.6 5,-0.2 3,-0.3 -1,-0.1 0.790 80.2 64.4 -72.6 -26.5 5.8 20.5 -17.7
429 429 E T 45S+ 0 0 27 -3,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.998 121.0 16.7 -57.3 -61.9 9.0 20.2 -19.5
430 430 V T 45S+ 0 0 87 2,-0.1 3,-0.2 1,-0.1 -2,-0.2 0.980 138.6 38.3 -72.8 -52.4 9.4 23.9 -19.7
431 431 D T <5S+ 0 0 15 -4,-2.4 -3,-0.3 -174,-0.2 -2,-0.1 0.984 79.0 120.6 -62.3 -63.2 6.9 24.9 -17.2
432 432 A < + 0 0 2 -5,-0.6 -1,-0.2 -175,-0.4 -3,-0.1 -0.148 32.3 171.5 42.8-106.6 7.6 22.1 -14.6
433 433 N + 0 0 62 -4,-0.2 2,-0.2 -3,-0.2 -1,-0.2 0.337 60.8 39.8 84.6 0.3 8.5 24.3 -11.7
434 434 G - 0 0 4 -174,-0.2 -172,-2.4 -192,-0.0 2,-0.5 -0.696 55.8-167.7-177.3 124.9 8.7 21.5 -9.2
435 435 I E -k 262 0E 4 25,-0.4 27,-3.2 -2,-0.2 2,-0.6 -0.971 13.4-167.5-116.4 119.7 9.8 17.9 -9.2
436 436 L E -k 263 0E 0 -174,-3.1 -172,-3.2 -2,-0.5 2,-0.6 -0.925 1.1-167.2-112.5 115.7 8.7 16.0 -6.2
437 437 N E +k 264 0E 9 -2,-0.6 2,-0.3 25,-0.3 -172,-0.2 -0.871 16.3 161.8-105.5 123.4 10.4 12.6 -5.7
438 438 V + 0 0 4 -174,-2.3 -170,-0.4 -2,-0.6 2,-0.1 -0.975 29.1 76.9-136.2 153.2 8.8 10.3 -3.3
439 439 K S >> S- 0 0 12 -2,-0.3 4,-0.6 27,-0.2 3,-0.5 -0.145 78.4-104.6 121.9 146.3 9.3 6.6 -2.9
440 440 A G >4 S+ 0 0 11 -174,-0.4 3,-1.9 1,-0.2 -171,-0.2 0.900 120.0 60.9 -64.6 -37.6 12.1 4.7 -1.3
441 441 E G 34 S+ 0 0 13 -173,-0.6 -1,-0.2 1,-0.3 7,-0.2 0.802 92.8 64.0 -62.3 -28.7 13.3 3.7 -4.8
442 442 D G X4 S+ 0 0 16 -3,-0.5 3,-1.3 -174,-0.3 4,-0.3 0.835 76.2 116.0 -62.4 -29.6 13.8 7.4 -5.6
443 443 K T << S- 0 0 76 -3,-1.9 5,-0.1 -4,-0.6 6,-0.0 -0.275 105.8 -51.2 -48.0 125.5 16.4 7.3 -2.8
444 444 A T 3 S+ 0 0 34 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.543 77.0 160.6 -10.3 71.6 19.6 8.1 -4.7
445 445 S < - 0 0 15 -3,-1.3 2,-3.2 1,-0.2 -1,-0.2 0.700 33.4-157.5 -73.0 -19.9 18.9 5.5 -7.2
446 446 G S > S+ 0 0 29 -4,-0.3 4,-2.2 1,-0.3 -1,-0.2 -0.317 86.2 51.7 81.3 -58.8 21.4 7.6 -8.9
447 447 K H > S+ 0 0 39 -2,-3.2 4,-2.8 2,-0.2 -1,-0.3 0.890 110.9 46.5 -72.2 -42.3 20.1 6.2 -12.2
448 448 S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 115.2 45.8 -67.5 -44.7 16.5 7.1 -11.3
449 449 E H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.930 114.8 48.9 -63.0 -42.2 17.4 10.5 -10.1
450 450 K H X S+ 0 0 97 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.903 109.2 51.5 -65.6 -40.1 19.5 11.0 -13.2
451 451 I H X S+ 0 0 20 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.939 113.3 44.8 -63.8 -43.3 16.9 9.8 -15.6
452 452 T H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.936 114.5 49.1 -65.0 -43.1 14.4 12.2 -14.1
453 453 I H <>S+ 0 0 40 -4,-2.7 5,-3.2 -5,-0.2 6,-0.6 0.926 111.5 48.5 -62.7 -44.7 16.8 15.0 -14.0
454 454 T H ><5S+ 0 0 93 -4,-3.0 3,-2.1 1,-0.2 -1,-0.2 0.900 106.9 56.4 -64.1 -39.4 17.9 14.5 -17.6
455 455 N H 3<5S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.922 110.2 45.0 -59.6 -41.8 14.3 14.3 -18.8
456 456 D T ><5S- 0 0 12 -4,-1.9 3,-1.4 3,-0.2 -1,-0.3 0.031 122.0-107.0 -93.3 30.8 13.7 17.7 -17.3
457 457 K T < 5S- 0 0 145 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.853 80.9 -41.1 54.4 40.3 16.9 19.1 -18.7
458 458 G T 3 S+ 0 0 84 1,-0.2 4,-1.3 2,-0.1 3,-0.1 -0.386 80.6 153.7 -74.8 64.8 7.9 10.0 4.3
468 468 M H > + 0 0 12 -2,-3.2 4,-2.9 1,-0.2 5,-0.3 0.799 51.6 66.1 -68.2 -38.2 5.7 12.5 2.6
469 469 V H > S+ 0 0 2 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.960 107.8 38.5 -60.8 -49.2 2.9 10.1 1.5
470 470 A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.900 113.3 59.8 -65.3 -34.1 1.8 9.3 5.0
471 471 Y H X S+ 0 0 34 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.936 107.7 43.6 -58.0 -48.2 2.4 13.0 5.9
472 472 G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.870 111.5 54.8 -65.5 -38.1 -0.1 14.1 3.3
473 473 A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.905 106.7 50.9 -61.8 -41.8 -2.5 11.5 4.4
474 474 A H X S+ 0 0 0 -4,-2.7 4,-2.3 -467,-0.2 -446,-0.3 0.859 107.6 53.0 -65.1 -36.7 -2.4 12.7 7.9
475 475 V H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.947 111.0 46.6 -62.1 -46.0 -3.0 16.3 6.8
476 476 Q H X S+ 0 0 28 -4,-2.3 4,-2.8 1,-0.3 -2,-0.2 0.897 111.2 52.0 -62.7 -40.7 -6.1 15.1 4.9
477 477 G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.896 108.0 53.3 -62.3 -38.6 -7.2 13.1 8.0
478 478 G H < S+ 0 0 5 -4,-2.3 8,-0.4 2,-0.2 -2,-0.2 0.912 110.0 45.6 -63.5 -42.9 -6.7 16.2 10.0
479 479 I H <>S+ 0 0 39 -4,-2.2 5,-2.8 1,-0.2 -2,-0.2 0.944 114.8 48.7 -65.7 -42.6 -9.0 18.2 7.8
480 480 L H ><5S+ 0 0 39 -4,-2.8 2,-1.5 3,-0.2 3,-1.2 0.855 90.3 90.3 -64.6 -34.5 -11.5 15.4 7.7
481 481 S T 3<5S- 0 0 15 -4,-2.5 5,-0.2 1,-0.3 -1,-0.1 -0.455 123.3 -26.0 -72.7 97.6 -11.4 15.1 11.4
482 482 G T 3 5S- 0 0 47 -2,-1.5 -1,-0.3 3,-0.1 -2,-0.1 0.904 111.8 -74.2 68.7 43.4 -14.1 17.5 12.5
483 483 E T < 5S- 0 0 177 -3,-1.2 2,-0.6 1,-0.2 -3,-0.2 0.887 111.0 -21.9 29.6 96.5 -13.7 19.6 9.3
484 484 G S - Q 0 540H 12 4,-1.0 3,-2.1 -2,-0.5 2,-0.4 -0.813 27.6-111.1 -99.9 137.2 -24.8 -3.5 -22.1
506 506 V T 3 S+ 0 0 92 33,-2.8 33,-0.3 -2,-0.4 3,-0.1 -0.526 105.7 0.2 -68.6 125.0 -26.0 -6.9 -23.1
507 507 G T 3 S+ 0 0 87 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.460 126.6 91.0 77.8 -1.2 -28.1 -6.4 -26.2
508 508 G S < S- 0 0 47 -3,-2.1 -1,-0.3 1,-0.1 2,-0.3 -0.249 86.8 -73.3-109.0-160.5 -27.3 -2.8 -25.8
509 509 V - 0 0 100 -3,-0.1 -4,-1.0 -2,-0.1 2,-0.5 -0.690 35.4-132.4 -98.4 152.1 -24.7 -0.4 -27.1
510 510 M E +P 504 0H 65 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.904 39.3 158.4-103.9 128.5 -21.1 -0.3 -25.8
511 511 T E -P 503 0H 54 -8,-2.1 -8,-2.8 -2,-0.5 2,-0.5 -0.969 45.2-104.2-147.2 160.9 -19.9 3.2 -25.0
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513 513 L E + 0 0H 39 -12,-1.6 -11,-0.2 -2,-0.5 -1,-0.2 0.927 65.7 12.2 -79.5 -55.1 -18.8 6.5 -19.9
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516 516 R T 3 S+ 0 0 60 1,-0.2 3,-0.1 -18,-0.1 -17,-0.1 -0.275 109.3 28.7 -65.8 155.1 -9.5 9.1 -17.9
517 517 N T 3 S+ 0 0 30 -20,-2.9 2,-0.4 1,-0.3 -1,-0.2 0.736 82.4 149.6 65.4 26.2 -8.3 12.0 -15.8
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521 521 P S S+ 0 0 132 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.500 77.9 165.9 -69.9 152.6 -16.6 12.5 -8.0
522 522 T - 0 0 52 -2,-0.2 2,-0.4 -4,-0.1 -2,-0.1 -0.878 22.6-147.0-130.4 162.8 -18.2 12.2 -11.4
523 523 K + 0 0 192 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.992 13.0 179.8-135.7 142.2 -21.6 10.9 -12.4
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525 525 S - 0 0 114 -2,-0.4 2,-0.4 -12,-0.1 -2,-0.0 -0.954 4.6-166.7-129.8 149.8 -26.3 8.0 -16.1
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529 529 T + 0 0 108 -2,-0.8 -1,-0.2 2,-0.0 2,-0.2 0.835 61.8 76.3 -70.7 -35.7 -35.3 2.0 -22.9
530 530 T - 0 0 93 -3,-0.1 2,-0.3 2,-0.0 8,-0.1 -0.488 66.1-158.5 -85.8 148.6 -35.8 -1.7 -23.1
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535 535 Q S S+ 0 0 201 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.920 105.9 86.7 -61.4 -39.7 -36.5 -12.9 -14.2
536 536 T - 0 0 72 -3,-0.1 -2,-0.6 1,-0.1 2,-0.2 -0.277 65.1-171.7 -62.0 147.5 -33.7 -12.0 -16.6
537 537 T - 0 0 104 -4,-0.1 2,-0.2 -6,-0.0 -4,-0.1 -0.693 33.7 -72.2-129.9 179.1 -32.7 -8.4 -16.2
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539 539 T - 0 0 43 -33,-0.3 -33,-2.8 -2,-0.2 2,-0.4 -0.970 11.0-174.0-122.1 133.0 -26.8 -6.8 -17.6
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550 550 T G >4 S+ 0 0 18 -2,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.939 95.9 52.3 -61.4 -44.9 -14.4 -0.8 -24.5
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572 572 A H > S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.886 105.4 53.6 -62.5 -41.5 -9.5 -10.2 12.7
573 573 E H X S+ 0 0 116 -4,-1.2 4,-3.0 1,-0.2 -1,-0.3 0.858 101.6 61.1 -64.9 -31.2 -11.0 -9.3 16.0
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575 575 F H X S+ 0 0 24 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.900 113.0 55.4 -65.6 -41.2 -6.4 -11.9 16.6
576 576 A H X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.899 105.0 52.8 -61.0 -39.4 -6.9 -8.4 17.9
577 577 E H X S+ 0 0 97 -4,-3.0 4,-2.8 1,-0.2 -1,-0.3 0.914 108.6 51.3 -62.6 -39.0 -8.2 -9.7 21.2
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579 579 D H X S+ 0 0 27 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.935 113.0 46.7 -61.1 -45.0 -2.9 -8.8 20.8
580 580 K H X S+ 0 0 127 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.945 114.1 46.0 -63.3 -47.9 -4.6 -6.8 23.5
581 581 K H X S+ 0 0 71 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.937 115.2 45.4 -63.6 -46.8 -4.6 -9.6 26.1
582 582 V H X S+ 0 0 41 -4,-2.8 4,-2.9 -5,-0.2 5,-0.4 0.947 113.1 49.3 -63.5 -46.8 -1.0 -10.5 25.6
583 583 K H X S+ 0 0 84 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.940 115.2 43.3 -60.2 -47.9 0.3 -7.0 25.6
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585 585 R H X S+ 0 0 59 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.941 117.1 42.8 -63.1 -49.7 -0.8 -9.1 30.6
586 586 I H X S+ 0 0 40 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.915 114.1 51.3 -63.2 -44.9 2.8 -9.3 29.8
587 587 D H X S+ 0 0 85 -4,-2.5 4,-2.5 -5,-0.4 -1,-0.2 0.913 111.1 47.7 -62.0 -44.3 3.4 -5.6 30.2
588 588 A H X S+ 0 0 18 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.895 111.9 49.2 -65.0 -41.5 1.8 -5.6 33.7
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592 592 L H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.927 113.2 49.2 -63.9 -42.9 5.5 -5.7 38.6
593 593 E H X S+ 0 0 46 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.958 113.2 46.3 -61.7 -47.8 8.7 -7.5 38.2
594 594 T H X S+ 0 0 82 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.919 113.5 48.7 -62.4 -43.8 10.6 -4.4 37.5
595 595 Y H X S+ 0 0 44 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.948 113.0 46.4 -63.9 -45.2 9.1 -2.5 40.3
596 596 V H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.943 115.5 46.1 -62.8 -45.4 9.7 -5.3 42.8
597 597 Y H X S+ 0 0 97 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.895 111.9 50.1 -65.3 -40.6 13.3 -5.7 41.7
598 598 N H X S+ 0 0 62 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.937 110.1 51.3 -64.5 -38.8 14.0 -2.1 41.6
599 599 M H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.916 108.1 52.9 -61.4 -40.3 12.6 -1.8 45.1
600 600 R H X S+ 0 0 168 -4,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.911 110.5 47.6 -60.2 -41.9 14.9 -4.6 46.1
601 601 N H X S+ 0 0 106 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.923 110.1 52.2 -65.4 -42.4 17.8 -2.7 44.7
602 602 Q H >< S+ 0 0 82 -4,-2.9 8,-0.9 1,-0.2 3,-0.8 0.912 108.1 49.5 -62.9 -43.5 16.8 0.5 46.4
603 603 I H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.871 110.1 53.4 -61.9 -37.4 16.6 -1.2 49.8
604 604 N H 3< S+ 0 0 125 -4,-1.5 2,-1.2 -5,-0.2 -1,-0.3 0.728 85.9 95.6 -66.5 -27.7 20.0 -2.7 49.2
605 605 D <<> - 0 0 49 -4,-1.1 5,-2.2 -3,-0.8 6,-0.9 -0.572 52.5-175.0 -78.3 98.6 21.5 0.7 48.4
606 606 K T 5S+ 0 0 162 -2,-1.2 -1,-0.2 4,-0.3 -2,-0.0 0.741 79.7 59.8 -62.7 -29.9 23.1 1.9 51.7
607 607 D T 5S+ 0 0 120 4,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.994 119.4 10.6 -65.7 -62.9 23.9 5.1 50.1
608 608 K T >5S+ 0 0 144 3,-0.1 4,-1.4 -6,-0.1 -2,-0.1 0.939 136.0 0.8 -79.9 -87.3 20.4 6.4 49.1
609 609 L H >5S+ 0 0 13 -7,-0.3 4,-3.0 2,-0.2 -6,-0.2 0.879 126.9 56.4 -76.4 -43.4 17.2 4.7 50.4
610 610 A H 4 - 0 0 136 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.164 67.8 -35.2-104.9-137.4 14.9 3.0 59.6
615 615 S T >> S+ 0 0 105 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.662 125.4 83.9 -64.3 -13.9 13.3 -0.2 60.9
616 616 D H 3> S+ 0 0 68 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.772 71.7 74.2 -60.8 -26.6 11.0 0.2 58.0
617 617 E H <> S+ 0 0 90 -3,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.877 89.5 59.1 -59.0 -33.3 13.6 -1.5 55.9
618 618 K H <> S+ 0 0 129 -3,-1.6 4,-1.9 -4,-0.2 -1,-0.2 0.955 108.2 43.1 -58.8 -49.1 12.6 -4.8 57.6
619 619 V H X S+ 0 0 31 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.904 111.9 55.1 -65.4 -38.4 9.1 -4.5 56.4
620 620 L H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.921 106.8 49.2 -62.4 -43.6 10.1 -3.5 53.0
621 621 A H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.936 112.2 48.2 -62.8 -43.0 12.4 -6.5 52.5
622 622 T H X S+ 0 0 63 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.945 112.5 49.0 -62.1 -44.9 9.6 -8.9 53.6
623 623 N H X S+ 0 0 12 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.934 113.8 45.1 -61.4 -47.4 7.1 -7.2 51.3
624 624 G H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.926 113.0 48.5 -65.6 -44.6 9.3 -7.2 48.3
625 625 D H X S+ 0 0 94 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.893 109.1 53.7 -65.9 -37.2 10.5 -10.8 48.6
626 626 T H X S+ 0 0 78 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.936 109.3 48.3 -63.3 -42.1 7.1 -12.1 49.2
627 627 H H X S+ 0 0 21 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.897 110.0 52.6 -64.5 -37.7 5.9 -10.5 46.0
628 628 L H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.925 107.6 51.4 -63.2 -41.8 8.9 -11.9 44.1
629 629 G H X S+ 0 0 41 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.932 110.1 48.8 -61.7 -43.1 8.1 -15.4 45.3
630 630 G H X S+ 0 0 39 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.903 109.3 54.1 -61.9 -39.0 4.5 -15.1 44.1
631 631 E H < S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 102.8 56.7 -62.4 -40.5 5.8 -13.8 40.8
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633 633 F H < S+ 0 0 153 -4,-1.8 2,-0.6 1,-0.2 -1,-0.2 0.955 119.5 31.2 -63.2 -49.8 5.1 -19.1 40.7
634 634 D S < S+ 0 0 43 -4,-2.0 -1,-0.2 4,-0.1 2,-0.1 -0.891 75.1 171.4-118.4 117.3 2.8 -17.5 38.2
635 635 Q > - 0 0 69 -2,-0.6 3,-0.6 2,-0.2 5,-0.4 -0.462 50.3 -99.5-112.8-179.7 4.2 -15.7 35.2
636 636 R T 3 S+ 0 0 0 1,-0.3 2,-1.7 -2,-0.1 -50,-0.1 0.889 127.1 59.9 -64.3 -36.3 2.9 -14.0 32.1
637 637 I T 3 S+ 0 0 126 -51,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.266 115.1 47.4 -85.0 54.5 4.0 -17.2 30.4
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639 639 E S S+ 0 0 155 -2,-0.3 -3,-0.1 2,-0.0 -5,-0.1 0.747 71.4 128.4 -73.6 -33.0 -2.0 -17.9 34.1
640 640 Y - 0 0 56 -5,-0.4 -2,-0.2 1,-0.1 -51,-0.1 0.105 54.3-137.8 -38.9 122.3 -1.8 -14.8 36.2
641 641 F > - 0 0 76 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.341 20.9-106.0 -84.0 169.6 -4.4 -12.6 34.9
642 642 I H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 120.7 55.8 -60.9 -39.9 -3.9 -8.9 34.4
643 643 K H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.895 105.4 51.3 -61.0 -40.4 -6.0 -8.2 37.4
644 644 L H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 111.2 46.5 -64.1 -44.5 -3.9 -10.4 39.7
645 645 I H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.922 113.3 49.6 -64.1 -41.5 -0.7 -8.7 38.7
646 646 K H X S+ 0 0 102 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.921 110.8 50.0 -62.0 -42.9 -2.2 -5.3 39.1
647 647 K H X S+ 0 0 138 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.904 110.4 49.0 -64.3 -41.9 -3.6 -6.2 42.5
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649 649 H H X S+ 0 0 63 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 111.1 47.4 -62.4 -44.2 1.4 -4.4 42.4
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651 651 K H X S+ 0 0 125 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.949 111.5 46.1 -61.7 -45.6 -0.6 -4.2 47.4
652 652 D H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 113.0 49.1 -63.9 -43.5 3.1 -3.7 47.3
653 653 I H X S+ 0 0 54 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.909 107.6 54.8 -64.7 -39.9 2.8 -0.0 46.5
654 654 S H X S+ 0 0 74 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.892 112.2 44.3 -60.2 -40.2 0.4 0.5 49.4
655 655 K H X S+ 0 0 70 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.938 117.7 44.0 -67.2 -46.6 2.9 -1.1 51.7
656 656 D H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.812 98.9 74.8 -68.2 -34.0 5.9 0.8 50.3
657 657 N H X S+ 0 0 76 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.892 96.5 41.5 -55.3 -54.6 4.2 4.2 50.1
658 658 R H < S+ 0 0 187 -4,-0.7 4,-0.4 1,-0.2 -1,-0.2 0.918 115.2 54.0 -64.4 -37.5 4.1 5.3 53.7
659 659 A H < S+ 0 0 10 -4,-0.7 3,-0.3 1,-0.2 -2,-0.2 0.942 115.7 33.5 -64.0 -51.8 7.6 4.0 54.3
660 660 L H < S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.985 93.9 118.3 -66.7 -47.4 9.5 5.8 51.5
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666 666 E - 0 0 146 -2,-1.3 2,-0.1 0, 0.0 -2,-0.0 -0.964 59.2-101.5-136.1 150.4 18.1 18.5 49.1
667 667 A 0 0 89 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.434 360.0 360.0 -68.0 145.7 19.8 20.1 46.2
668 668 E 0 0 262 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.449 360.0 360.0 -78.3 360.0 20.4 17.6 43.4