==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-JAN-02 1KTO . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR M.SENDA,T.SENDA,S.KIDOKORO . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 5 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 1 1 A I 0 0 84 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 165.0 8.2 52.0 65.4 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.776 360.0 103.9 -92.6 130.0 6.3 55.2 66.2 3 3 A G - 0 0 37 -2,-0.5 2,-0.5 23,-0.0 22,-0.2 -0.916 67.3 -49.8-172.5-160.6 6.5 56.4 69.8 4 4 A T E -A 24 0A 96 20,-2.5 20,-3.3 -2,-0.3 2,-0.2 -0.857 48.9-124.7-102.9 128.9 7.9 58.8 72.3 5 5 A S E +A 23 0A 70 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.491 45.0 151.8 -71.6 133.7 11.6 59.4 72.5 6 6 A T E -A 22 0A 53 16,-2.6 16,-2.4 -2,-0.2 2,-0.4 -0.857 40.5-106.3-149.1-177.3 13.1 58.7 76.0 7 7 A V E -A 21 0A 77 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.980 28.5-174.7-126.4 126.8 16.3 57.7 77.8 8 8 A G E -A 20 0A 2 12,-3.1 12,-2.3 -2,-0.4 2,-0.4 -0.531 16.5-131.3-108.1 177.4 16.9 54.4 79.4 9 9 A V E +Ab 19 61A 29 51,-1.7 53,-3.0 10,-0.2 2,-0.3 -0.981 32.5 148.4-132.8 143.7 19.8 53.1 81.5 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.3 -2,-0.4 2,-0.4 -0.903 40.0-103.2-156.4-173.7 21.8 49.9 81.2 11 11 A R E -A 17 0A 108 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.988 31.8-140.1-126.9 131.4 25.1 48.1 81.7 12 12 A G > - 0 0 3 4,-3.0 3,-2.2 -2,-0.4 56,-0.2 -0.134 37.6 -84.0 -81.7-179.0 27.4 47.2 78.9 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.835 128.8 50.2 -53.3 -39.0 29.5 44.1 78.2 14 14 A L T 3 S- 0 0 83 121,-0.1 -1,-0.3 54,-0.1 -2,-0.0 0.324 122.2-104.5 -86.0 9.2 32.3 45.3 80.4 15 15 A G S < S+ 0 0 43 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.566 74.0 141.4 82.4 8.4 30.0 46.1 83.2 16 16 A D - 0 0 58 1,-0.0 -4,-3.0 -5,-0.0 2,-0.3 -0.631 48.7-127.2 -86.4 141.8 29.9 49.9 82.8 17 17 A Q E +A 11 0A 126 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.682 36.8 162.3 -89.3 140.1 26.7 51.8 83.2 18 18 A K E -A 10 0A 17 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.3 -0.990 36.5-113.8-153.7 157.3 25.5 54.1 80.5 19 19 A N E -A 9 0A 107 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.730 32.1-166.7 -93.4 143.8 22.4 55.9 79.3 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-3.1 -2,-0.3 2,-0.5 -0.975 23.6-114.4-133.6 147.6 20.8 55.0 76.0 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.676 43.8 169.0 -82.3 123.3 18.2 56.5 73.7 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.4 -0.710 29.1-126.4-126.4 176.6 15.1 54.5 73.4 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.1 -18,-0.2 2,-0.5 -0.997 18.8-141.9-130.3 132.8 11.5 54.8 72.1 24 24 A Y E +AC 4 28A 101 -20,-3.3 -20,-2.5 -2,-0.4 4,-0.2 -0.832 40.7 135.1-103.6 127.9 8.4 54.2 74.1 25 25 A S S S- 0 0 47 2,-2.6 2,-2.3 -2,-0.5 -23,-0.0 -0.486 94.7 -48.6-166.9 82.3 5.2 52.6 72.7 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.396 139.7 37.0 79.2 -57.7 3.8 49.9 75.1 27 27 A Y S S- 0 0 116 -2,-2.3 -2,-2.6 -4,-0.1 2,-0.6 -0.688 93.9-111.4-112.2 167.8 7.4 48.6 75.3 28 28 A Y E -CD 24 57A 54 29,-3.4 29,-2.6 -2,-0.2 2,-0.3 -0.921 39.0-160.4-102.2 123.8 10.7 50.5 75.4 29 29 A Y E -CD 23 56A 46 -6,-3.1 2,-2.2 -2,-0.6 -6,-1.9 -0.777 28.9-115.1-108.2 151.5 12.6 49.8 72.2 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.2 11,-0.3 2,-0.4 -0.580 71.5 129.4 -81.6 78.8 16.2 50.2 71.3 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.956 44.4-159.1-138.4 113.2 15.5 52.9 68.8 32 32 A D E +E 39 0B 2 7,-2.6 7,-1.5 -2,-0.4 3,-0.5 -0.863 11.8 178.6 -98.5 110.6 17.4 56.1 69.0 33 33 A N + 0 0 58 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.439 67.6 78.8 -91.5 -0.2 15.5 58.9 67.2 34 34 A T S S+ 0 0 88 1,-0.2 2,-0.6 5,-0.1 -1,-0.2 0.611 84.7 65.1 -84.0 -11.4 18.0 61.6 68.0 35 35 A R S > S- 0 0 47 -3,-0.5 3,-2.3 4,-0.1 -1,-0.2 -0.907 111.4 -66.7-120.8 109.0 20.5 60.6 65.3 36 36 A G T 3 S- 0 0 27 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.229 112.2 -17.9 54.7-137.5 19.6 60.9 61.6 37 37 A N T 3 S- 0 0 109 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.269 119.7 -84.3 -83.8 12.4 16.8 58.6 60.5 38 38 A G < - 0 0 1 -3,-2.3 62,-2.5 60,-0.1 2,-0.5 -0.112 27.9-104.9 108.0 156.8 17.5 56.5 63.6 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.6 60,-0.2 2,-0.4 -0.995 35.6-168.9-122.7 122.1 19.6 53.8 65.2 40 40 A F E -Ef 31 101B 23 60,-3.3 62,-2.1 -2,-0.5 2,-0.5 -0.951 7.1-163.7-118.3 132.7 17.9 50.5 65.6 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.6 -2,-0.4 -11,-0.3 -0.965 12.1-165.3-120.4 128.6 19.2 47.5 67.6 42 42 A Y E -Gf 54 103B 29 60,-3.5 62,-2.4 -2,-0.5 2,-0.6 -0.767 20.5-127.4-113.7 157.5 17.8 44.0 67.0 43 43 A D E -Gf 53 104B 21 10,-2.9 10,-2.0 -2,-0.3 62,-0.2 -0.901 14.5-172.8-103.4 117.3 17.8 40.7 68.9 44 44 A A > - 0 0 3 60,-2.6 3,-2.3 -2,-0.6 5,-0.3 0.516 29.0-142.4 -85.8 -6.9 18.9 37.8 66.6 45 45 A K T 3 - 0 0 103 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.789 61.9 -60.3 50.5 38.2 18.1 35.3 69.4 46 46 A Y T 3 S+ 0 0 108 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.560 114.1 113.4 69.1 9.5 21.0 33.0 68.7 47 47 A R S < S- 0 0 167 -3,-2.3 60,-2.7 58,-0.3 -1,-0.3 -0.439 70.5-130.4-100.3 179.0 19.7 32.4 65.1 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.296 71.8 110.0-113.3 5.6 21.3 33.4 61.8 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.708 70.8 -98.6 -84.0 131.0 18.1 35.0 60.3 50 50 A L S S- 0 0 59 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.813 80.2 -5.0-114.2 154.5 18.5 38.8 60.1 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.985 79.3-168.3 -83.8 -13.8 17.8 41.3 61.4 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.802 47.0 -23.3 102.8-147.9 15.6 39.5 64.0 53 53 A S E -G 43 0B 50 -10,-2.0 -10,-2.9 -2,-0.3 -8,-0.1 -0.870 66.3-107.3-108.4 134.9 13.3 41.4 66.3 54 54 A L E -G 42 0B 32 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.343 54.4 -96.5 -55.6 129.5 13.6 45.1 67.2 55 55 A W - 0 0 10 -14,-2.6 -25,-1.9 -25,-0.3 2,-0.4 -0.324 48.1-171.0 -58.6 118.0 14.8 45.0 70.8 56 56 A A E -D 29 0A 48 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.919 7.0-178.4-115.0 136.1 11.9 45.4 73.2 57 57 A D E -D 28 0A 22 -29,-2.6 -29,-3.4 -2,-0.4 3,-0.1 -0.995 23.2-143.8-134.6 139.7 12.2 45.9 77.0 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.814 94.1 22.4 -73.9 -32.0 9.4 46.3 79.5 59 59 A D S S- 0 0 87 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.341 96.3-113.6-122.7 9.2 10.9 48.8 81.9 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.725 82.2 115.9 66.8 21.1 13.6 50.8 80.1 61 61 A Q E -b 9 0A 98 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.990 44.9-171.0-123.0 123.5 16.3 49.3 82.3 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-2.2 -2,-0.5 9,-0.1 -0.522 40.5 123.3-117.8 67.9 18.9 47.1 80.7 63 63 A F + 0 0 65 -2,-0.4 2,-0.2 -53,-0.2 -1,-0.1 0.364 40.3 110.8-104.9 2.5 20.9 45.4 83.5 64 64 A A S >> S- 0 0 51 -3,-0.2 3,-1.2 1,-0.1 4,-1.1 -0.502 76.0-122.9 -76.8 147.5 20.3 41.7 82.5 65 65 A S T 34 S+ 0 0 114 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.871 114.3 58.3 -58.8 -34.7 23.4 39.9 81.2 66 66 A Y T 34 S+ 0 0 68 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.786 103.8 54.4 -64.6 -26.5 21.4 39.1 78.0 67 67 A D T X> S+ 0 0 17 -3,-1.2 4,-2.3 1,-0.2 3,-0.9 0.780 84.7 85.4 -77.6 -30.8 21.0 42.9 77.5 68 68 A A H 3X S+ 0 0 14 -4,-1.1 4,-2.1 -3,-0.4 -55,-0.5 0.829 87.7 48.1 -41.4 -54.2 24.7 43.9 77.7 69 69 A P H 3> S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.858 113.9 49.1 -60.1 -34.5 25.6 43.2 74.0 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.5 -4,-0.4 5,-0.3 0.904 107.2 54.5 -70.6 -43.1 22.6 45.2 72.9 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -60,-0.2 -1,-0.2 0.935 114.2 40.7 -56.1 -48.9 23.3 48.2 75.2 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.875 113.1 52.0 -70.5 -39.2 26.8 48.5 73.7 73 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.930 115.6 43.6 -62.1 -42.8 25.9 48.0 70.1 74 74 A H H X S+ 0 0 3 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.941 118.3 43.2 -66.6 -49.7 23.3 50.6 70.4 75 75 A Y H X S+ 0 0 94 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.927 114.7 46.8 -65.5 -48.4 25.4 53.1 72.4 76 76 A Y H X S+ 0 0 11 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.784 106.6 58.3 -68.4 -26.5 28.6 52.8 70.3 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.896 107.5 49.9 -67.0 -37.5 26.8 53.1 67.1 78 78 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.930 109.8 48.9 -64.5 -45.9 25.6 56.4 68.4 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.901 111.6 49.9 -60.7 -41.7 29.1 57.5 69.3 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.901 109.2 51.4 -64.8 -41.1 30.4 56.5 65.9 81 81 A Y H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 11,-0.3 0.922 109.7 51.1 -60.8 -42.6 27.6 58.5 64.2 82 82 A D H X S+ 0 0 38 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.868 107.4 54.0 -62.5 -38.0 28.6 61.5 66.4 83 83 A Y H X>S+ 0 0 11 -4,-2.0 4,-2.8 2,-0.2 5,-0.8 0.970 110.9 43.2 -60.7 -56.1 32.2 61.1 65.3 84 84 A Y H X5S+ 0 0 5 -4,-2.2 6,-2.7 3,-0.2 4,-0.7 0.859 118.8 45.7 -60.4 -35.7 31.5 61.2 61.6 85 85 A K H X5S+ 0 0 86 -4,-2.1 4,-0.8 4,-0.3 -2,-0.2 0.953 120.7 35.0 -73.2 -50.3 29.0 64.0 62.0 86 86 A N H <5S+ 0 0 89 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.859 128.8 31.9 -74.5 -38.0 31.0 66.3 64.3 87 87 A V H <5S+ 0 0 57 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.880 135.7 20.4 -88.6 -42.4 34.5 65.6 62.9 88 88 A H H < - 0 0 64 -2,-0.5 6,-2.2 4,-0.3 4,-0.6 -0.771 65.5 -45.4 -92.0 102.4 25.5 62.3 58.1 92 92 A S T >4 S- 0 0 5 -2,-1.0 3,-0.7 -11,-0.3 7,-0.1 0.012 92.4 -56.1 63.7-176.3 25.5 58.6 58.7 93 93 A Y T 34 S+ 0 0 22 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.756 137.8 44.6 -70.1 -25.9 27.3 56.1 56.5 94 94 A D T 34 S- 0 0 46 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.460 109.7-116.9 -97.1 -1.6 25.6 57.2 53.2 95 95 A G S << S+ 0 0 32 -3,-0.7 -4,-0.3 -4,-0.6 -3,-0.2 0.507 101.8 80.5 80.1 3.9 26.0 60.9 53.9 96 96 A N S S- 0 0 120 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.066 112.9 -94.9-132.6 33.4 22.2 61.2 53.9 97 97 A N - 0 0 36 -6,-2.2 -60,-1.5 1,-0.2 -5,-0.2 0.809 54.7-173.9 59.1 37.0 21.3 60.1 57.4 98 98 A A - 0 0 17 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.303 34.9 -96.3 -60.3 143.9 20.5 56.5 56.5 99 99 A A - 0 0 17 -62,-0.2 2,-0.5 -63,-0.1 -60,-0.2 -0.357 35.7-136.5 -62.7 139.5 19.1 54.4 59.4 100 100 A I E -f 39 0B 2 -62,-2.5 -60,-3.3 -3,-0.1 2,-0.4 -0.885 23.1-171.7-103.7 124.5 21.8 52.4 61.3 101 101 A R E +f 40 0B 88 -2,-0.5 19,-2.6 17,-0.3 2,-0.3 -0.948 8.0 177.5-122.3 138.7 20.8 48.8 62.2 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.5 -2,-0.4 2,-0.4 -0.992 12.4-158.2-136.7 143.1 22.6 46.3 64.3 103 103 A S E -fh 42 121B 0 17,-1.8 19,-2.4 -2,-0.3 2,-0.2 -0.974 13.3-169.8-121.0 135.0 21.7 42.7 65.4 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.6 -2,-0.4 -59,-0.3 -0.724 63.2 44.4-118.1 171.5 23.3 41.1 68.4 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.7 -2,-0.2 2,-0.4 0.882 75.2 177.8 60.7 39.0 23.2 37.5 69.8 106 106 A Y - 0 0 34 16,-1.9 18,-0.5 -3,-0.2 4,-0.5 -0.641 50.4 -34.7 -77.6 124.4 23.9 36.3 66.2 107 107 A S S S- 0 0 33 -60,-2.7 2,-0.4 -2,-0.4 -60,-0.1 -0.091 94.4 -59.4 58.3-160.0 24.2 32.5 66.1 108 108 A Q S S- 0 0 152 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.982 108.8 -13.1-125.4 127.8 25.9 30.6 69.0 109 109 A G S S+ 0 0 41 -2,-0.4 2,-0.6 16,-0.3 17,-0.2 0.816 83.5 174.0 55.1 33.5 29.4 31.2 70.2 110 110 A Y - 0 0 73 -4,-0.5 15,-1.9 15,-0.3 2,-1.3 -0.622 23.3-156.9 -78.2 114.7 30.1 33.2 67.1 111 111 A N + 0 0 54 -2,-0.6 2,-0.3 14,-0.2 -1,-0.1 -0.383 61.9 58.4 -89.4 59.0 33.6 34.7 67.3 112 112 A N - 0 0 43 -2,-1.3 11,-2.1 2,-0.0 2,-0.3 -0.992 55.3-150.4-170.8 170.9 33.1 37.6 64.9 113 113 A A E +I 122 0B 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.960 24.9 167.7-147.8 153.9 31.2 40.7 63.8 114 114 A F E -I 121 0B 42 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.995 38.9-116.1-166.0 165.6 30.6 42.1 60.3 115 115 A W E -I 120 0B 25 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.957 24.0-165.0-107.2 121.5 28.8 44.5 58.0 116 116 A N - 0 0 70 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.209 54.8 -90.2 -96.7 16.9 26.7 42.5 55.6 117 117 A G S S+ 0 0 36 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.214 123.9 40.8 96.3 -14.2 26.0 45.3 53.1 118 118 A S S S- 0 0 84 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.534 120.7 -0.4-134.9 -26.5 22.9 46.4 54.9 119 119 A Q - 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0 0 26 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.656 61.0 -99.8 -88.9 145.5 51.2 40.6 60.4 214 214 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.304 29.3-175.7 -64.1 141.5 53.5 42.4 57.9 215 215 A D S S+ 0 0 14 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.119 71.9 46.8-121.2 16.4 54.8 45.9 58.7 216 216 A H S > S- 0 0 39 98,-0.1 3,-2.1 1,-0.1 98,-0.2 -0.970 82.5-120.1-157.1 143.5 56.6 46.4 55.3 217 217 A Y G > S+ 0 0 57 96,-3.2 3,-1.6 -2,-0.3 97,-0.1 0.773 109.9 65.6 -56.8 -30.3 55.5 45.8 51.7 218 218 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.691 101.9 50.5 -67.2 -16.8 58.4 43.3 51.2 219 219 A K G < S+ 0 0 122 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.185 81.9 139.3-105.9 16.4 56.6 41.0 53.7 220 220 A R < - 0 0 99 -3,-1.6 2,-0.4 1,-0.1 9,-0.1 -0.255 56.9-115.3 -62.9 147.2 53.2 41.2 52.1 221 221 A Y + 0 0 67 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.713 30.2 179.6 -85.4 128.6 51.2 38.0 51.8 222 222 A T + 0 0 118 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.368 45.9 105.7-111.0 2.9 50.6 36.9 48.3 223 223 A G S S- 0 0 28 1,-0.1 -2,-0.0 5,-0.0 0, 0.0 0.192 76.8-113.2 -68.3-165.4 48.5 33.7 48.9 224 224 A T S >> S+ 0 0 129 4,-0.1 4,-0.7 3,-0.1 3,-0.5 0.516 75.1 109.6-111.6 -10.1 44.8 33.2 48.5 225 225 A Q H >> S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 3,-0.9 -0.236 79.1 20.9 -66.0 157.3 43.6 32.8 52.1 226 226 A D H 3> S- 0 0 57 1,-0.3 4,-2.4 2,-0.2 5,-0.4 0.890 138.4 -59.0 51.3 44.8 41.6 35.5 53.8 227 227 A N H <4 S- 0 0 86 -3,-0.5 -68,-2.2 1,-0.2 -1,-0.3 0.857 113.8 -36.6 53.9 39.9 40.6 36.9 50.4 228 228 A G H << S- 0 0 4 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.747 114.5 -58.7 85.9 23.8 44.2 37.5 49.5 229 229 A G H >X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.1 3,-0.7 0.851 77.2 159.3 75.0 38.9 45.2 38.5 53.0 230 230 A V T 3< S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.3 -64,-0.1 0.838 81.7 40.6 -62.6 -32.7 42.9 41.5 53.6 231 231 A H T 34 S+ 0 0 32 -5,-0.4 -1,-0.3 2,-0.1 -5,-0.1 0.521 121.0 46.6 -91.0 -5.5 43.2 41.2 57.4 232 232 A I T X4 S+ 0 0 40 -3,-0.7 3,-1.8 -6,-0.2 4,-0.2 0.879 112.1 42.1 -97.6 -58.9 46.9 40.4 57.0 233 233 A N T >X S+ 0 0 7 -4,-3.0 3,-1.1 1,-0.3 4,-0.8 0.577 95.1 81.4 -68.9 -8.2 48.3 43.0 54.6 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-2.9 -4,-0.3 -1,-0.3 0.768 78.1 73.5 -66.7 -21.9 46.2 45.7 56.3 235 235 A G H <> S+ 0 0 2 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.836 89.2 57.4 -59.9 -32.4 49.1 45.7 58.8 236 236 A I H <> S+ 0 0 0 -3,-1.1 4,-1.4 -4,-0.2 -1,-0.2 0.912 112.6 39.1 -64.9 -43.2 51.3 47.5 56.2 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.2 -2,-0.2 0.864 112.6 56.1 -75.3 -37.9 48.8 50.4 55.9 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.905 107.8 49.3 -60.8 -41.1 48.0 50.4 59.6 239 239 A K H X S+ 0 0 23 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.916 109.8 51.5 -63.6 -42.7 51.7 50.9 60.4 240 240 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.916 111.3 47.5 -60.6 -43.1 51.9 53.7 57.8 241 241 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.903 110.6 51.7 -64.6 -42.5 48.9 55.4 59.5 242 242 A Y H X>S+ 0 0 54 -4,-2.5 4,-3.2 -37,-0.2 5,-0.6 0.910 111.2 48.1 -60.5 -43.3 50.4 55.0 62.9 243 243 A L H X5S+ 0 0 3 -4,-2.5 4,-1.8 3,-0.2 -2,-0.2 0.903 107.7 54.3 -65.3 -42.6 53.6 56.6 61.8 244 244 A I H <5S+ 0 0 1 -4,-2.3 14,-2.7 -5,-0.2 15,-0.4 0.927 119.4 34.6 -57.2 -44.7 51.9 59.5 60.1 245 245 A S H <5S+ 0 0 4 -4,-2.1 14,-2.1 12,-0.3 -2,-0.2 0.958 135.1 20.4 -75.5 -54.0 50.1 60.3 63.4 246 246 A Q H <5S- 0 0 93 -4,-3.2 11,-0.5 -5,-0.2 -3,-0.2 0.720 94.2-146.9 -92.2 -25.2 52.7 59.4 66.0 247 247 A G << + 0 0 11 -4,-1.8 2,-0.2 -5,-0.6 9,-0.2 -0.146 31.4 143.3 81.6 177.0 55.9 59.5 64.1 248 248 A G E -L 255 0E 34 7,-2.4 7,-2.8 -4,-0.1 2,-0.5 -0.778 51.8 -74.3 138.3 177.0 59.0 57.3 64.6 249 249 A T E +L 254 0E 94 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.961 42.7 179.4-115.4 120.9 61.7 55.5 62.8 250 250 A H E > S-L 253 0E 18 3,-2.5 3,-2.1 -2,-0.5 -2,-0.0 -0.985 71.0 -15.3-125.4 123.4 60.8 52.3 60.9 251 251 A Y T 3 S- 0 0 110 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.881 130.7 -50.6 51.2 42.5 63.3 50.3 59.0 252 252 A G T 3 S+ 0 0 69 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.401 114.0 116.3 81.1 -4.5 65.7 53.2 59.1 253 253 A V E < -L 250 0E 38 -3,-2.1 -3,-2.5 59,-0.1 2,-0.4 -0.882 54.8-146.0-103.7 124.6 63.2 55.8 57.8 254 254 A S E -L 249 0E 72 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.715 13.2-169.1 -92.4 134.7 62.3 58.6 60.2 255 255 A V E -L 248 0E 8 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.6 -0.980 16.8-140.7-125.2 129.9 58.8 60.1 60.2 256 256 A V - 0 0 82 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.792 28.8-127.5 -88.4 120.4 57.7 63.2 61.9 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.5 -11,-0.2 -0.392 21.6-170.8 -69.1 144.6 54.2 62.7 63.4 258 258 A I - 0 0 23 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.326 46.3-103.5-115.8 3.7 51.5 65.2 62.6 259 259 A G > - 0 0 27 -14,-2.1 4,-1.6 -15,-0.4 -1,-0.2 0.046 29.0 -80.9 94.6 158.7 48.8 64.0 65.0 260 260 A R H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 119.7 57.5 -65.9 -40.0 45.5 62.0 65.0 261 261 A D H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 110.5 42.5 -60.6 -45.9 43.3 64.8 63.8 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.861 111.0 57.0 -69.7 -35.0 45.3 65.5 60.6 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.947 109.3 46.4 -58.7 -48.0 45.6 61.8 60.0 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.893 112.3 49.3 -62.0 -42.0 41.8 61.5 60.1 265 265 A K H X S+ 0 0 114 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.914 112.6 47.7 -65.2 -42.4 41.3 64.5 57.8 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.941 116.3 41.9 -64.8 -48.5 43.9 63.2 55.3 267 267 A F H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.851 112.0 53.9 -69.9 -33.6 42.5 59.7 55.1 268 268 A Y H X S+ 0 0 31 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.924 111.1 46.8 -65.5 -42.4 38.8 60.7 55.1 269 269 A R H X>S+ 0 0 75 -4,-1.9 4,-2.2 -5,-0.2 5,-0.6 0.923 112.4 49.6 -64.6 -43.5 39.5 63.0 52.1 270 270 A A H X>S+ 0 0 1 -4,-2.1 5,-2.3 1,-0.2 4,-1.6 0.926 113.2 47.6 -59.9 -45.1 41.4 60.2 50.3 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.3 1,-0.2 -2,-0.2 0.899 120.1 35.7 -62.6 -45.3 38.6 57.8 51.0 272 272 A T H <5S+ 0 0 41 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.647 130.7 25.7 -88.1 -15.0 35.8 60.1 49.8 273 273 A Q H <5S+ 0 0 119 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.712 128.2 21.1-120.3 -28.5 37.5 61.9 47.0 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.6 -122,-0.1 -120,-0.1 -0.786 41.5 -87.6-128.8 172.5 38.1 53.8 43.7 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.806 125.7 37.6 -52.6 -33.3 36.9 50.2 43.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.226 80.4 142.8-107.3 15.6 40.2 48.8 42.5 279 279 A S < - 0 0 4 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.265 32.6-158.7 -57.5 136.1 42.8 51.1 44.2 280 280 A N > - 0 0 62 -119,-0.1 4,-2.0 -116,-0.1 5,-0.2 -0.488 36.6 -86.2-106.7-178.0 46.0 49.4 45.2 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.898 126.8 51.5 -55.9 -45.2 48.6 50.4 47.8 282 282 A S H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 111.2 48.0 -62.0 -37.2 50.6 52.6 45.4 283 283 A Q H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.824 107.1 56.6 -73.1 -29.6 47.4 54.4 44.4 284 284 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.903 105.4 51.9 -65.8 -40.0 46.5 54.9 48.1 285 285 A R H X S+ 0 0 37 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 110.9 46.7 -60.8 -46.2 49.9 56.6 48.6 286 286 A A H X S+ 0 0 60 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.903 112.9 50.0 -62.5 -41.4 49.1 59.0 45.7 287 287 A A H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 111.9 47.3 -64.4 -42.1 45.6 59.6 47.1 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.885 112.9 48.7 -67.3 -39.9 47.0 60.4 50.6 289 289 A V H X S+ 0 0 26 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.935 112.7 47.8 -65.1 -45.6 49.7 62.7 49.2 290 290 A Q H X S+ 0 0 83 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.875 111.8 50.7 -62.8 -39.0 47.2 64.5 47.1 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.928 111.0 46.9 -64.9 -47.0 44.8 64.9 50.0 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.871 112.6 52.2 -62.7 -36.1 47.4 66.2 52.3 293 293 A T H X S+ 0 0 36 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.924 107.9 50.5 -65.1 -45.7 48.4 68.6 49.5 294 294 A D H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 120.2 36.4 -57.1 -44.0 44.8 69.8 49.0 295 295 A L H < S+ 0 0 70 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.828 134.9 13.9 -81.7 -36.5 44.6 70.5 52.8 296 296 A Y H < S- 0 0 64 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.487 106.9 -95.4-123.8 -4.4 48.0 71.8 53.8 297 297 A G >< - 0 0 30 -4,-2.0 3,-1.7 -5,-0.5 6,-0.4 0.125 34.4 -89.1 100.2 144.5 50.0 72.7 50.6 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.687 125.7 45.4 -62.1 -20.4 52.5 70.8 48.5 299 299 A T T 3 S+ 0 0 138 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.171 89.2 122.0-109.7 18.3 55.5 72.0 50.6 300 300 A S S <> S- 0 0 18 -3,-1.7 4,-1.7 1,-0.1 -3,-0.1 -0.308 73.1-120.4 -79.3 162.7 53.9 71.4 54.0 301 301 A Q H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.827 113.2 62.1 -68.2 -32.5 55.2 69.2 56.8 302 302 A E H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 104.5 44.9 -59.3 -48.7 52.0 67.2 56.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.912 112.1 53.5 -62.4 -42.2 52.8 66.1 52.9 304 304 A A H X S+ 0 0 42 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.916 108.3 49.2 -59.2 -45.5 56.4 65.3 53.9 305 305 A S H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.838 107.9 53.8 -64.8 -35.0 55.3 63.0 56.7 306 306 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.926 110.9 46.7 -65.7 -42.8 52.8 61.2 54.5 307 307 A K H X S+ 0 0 89 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.921 113.1 48.9 -64.2 -44.2 55.6 60.5 52.0 308 308 A Q H X S+ 0 0 75 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.880 108.9 53.1 -62.6 -41.0 58.0 59.4 54.7 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.920 112.3 43.6 -61.9 -46.4 55.5 57.0 56.3 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 -1,-0.2 0.870 112.7 52.2 -69.2 -35.1 54.8 55.2 53.0 311 311 A D H ><5S+ 0 0 68 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.921 106.2 57.1 -63.5 -41.1 58.5 55.1 52.2 312 312 A A H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.832 109.9 41.8 -58.6 -37.3 59.0 53.6 55.6 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.2 2,-0.1 -1,-0.3 0.284 119.3-109.8 -94.7 10.4 56.6 50.7 54.9 314 314 A G T < 5 + 0 0 28 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.734 68.2 144.0 72.4 24.9 58.0 50.3 51.4 315 315 A V < 0 0 4 -5,-2.9 -1,-0.2 1,-0.2 -2,-0.1 -0.864 360.0 360.0-101.9 110.6 55.0 51.5 49.4 316 316 A K 0 0 193 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.789 360.0 360.0-100.4 360.0 56.1 53.5 46.3 317 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 318 1317 A X 0 0 43 0, 0.0 -204,-0.2 0, 0.0 -206,-0.0 0.000 360.0 360.0 360.0 360.0 35.3 41.0 60.0