==== 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 10-JAN-02 1KRO . 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) . 12798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.3 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 . 20 6.3 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 . 9 2.8 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 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 87 0, 0.0 2,-0.4 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 164.4 8.3 52.1 65.3 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.740 360.0 107.3 -88.9 130.0 6.3 55.3 66.2 3 3 A G - 0 0 36 -2,-0.4 2,-0.5 23,-0.0 22,-0.2 -0.941 66.5 -52.7-172.8-165.6 6.6 56.5 69.8 4 4 A T E -A 24 0A 96 20,-2.4 20,-3.2 -2,-0.3 2,-0.3 -0.816 48.9-125.5 -97.8 127.8 7.9 58.9 72.4 5 5 A S E +A 23 0A 70 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.521 45.0 151.7 -72.4 132.5 11.6 59.5 72.6 6 6 A T E -A 22 0A 52 16,-2.6 16,-2.2 -2,-0.3 2,-0.4 -0.816 40.3-106.3-146.6-174.3 13.1 58.8 76.0 7 7 A V E -A 21 0A 78 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.986 28.7-175.9-129.3 127.8 16.3 57.8 77.8 8 8 A G E -A 20 0A 3 12,-3.1 12,-2.0 -2,-0.4 2,-0.3 -0.508 15.8-132.1-109.4-179.6 17.0 54.5 79.5 9 9 A V E +Ab 19 61A 29 51,-1.7 53,-3.1 10,-0.2 2,-0.3 -0.987 31.9 143.3-137.2 145.8 19.9 53.1 81.5 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.5 -2,-0.3 2,-0.4 -0.942 41.5 -98.8-162.6-176.5 21.9 49.9 81.4 11 11 A R E -A 17 0A 116 51,-2.1 60,-0.2 -2,-0.3 6,-0.2 -0.960 32.0-140.3-120.6 137.9 25.2 48.2 81.7 12 12 A G > - 0 0 5 4,-2.7 3,-1.7 -2,-0.4 56,-0.2 -0.110 39.0 -81.7 -84.7-173.9 27.5 47.2 78.8 13 13 A V T 3 S+ 0 0 32 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.848 129.2 49.7 -57.7 -38.6 29.6 44.1 78.2 14 14 A L T 3 S- 0 0 87 121,-0.1 -1,-0.3 54,-0.1 178,-0.0 0.311 122.1-104.0 -86.8 9.4 32.4 45.4 80.4 15 15 A G S < S+ 0 0 45 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.519 73.9 140.7 84.1 6.0 30.1 46.2 83.3 16 16 A D - 0 0 60 1,-0.0 -4,-2.7 -5,-0.0 2,-0.3 -0.592 49.0-125.9 -85.1 143.8 30.0 50.0 82.8 17 17 A Q E +A 11 0A 122 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.700 36.6 163.5 -90.4 137.6 26.8 51.9 83.2 18 18 A K E -A 10 0A 15 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.4 -0.988 36.0-115.9-150.5 156.8 25.6 54.2 80.5 19 19 A N E -A 9 0A 107 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.760 31.9-166.2 -94.0 140.9 22.4 56.0 79.3 20 20 A I E -A 8 0A 3 -12,-2.0 -12,-3.1 -2,-0.4 2,-0.5 -0.966 23.2-114.7-130.4 146.9 20.9 55.0 76.0 21 21 A N E +A 7 0A 40 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.669 44.0 169.1 -81.4 124.6 18.3 56.6 73.7 22 22 A T E -A 6 0A 1 -16,-2.2 -16,-2.6 -2,-0.5 2,-0.4 -0.731 29.4-126.2-128.3 176.4 15.1 54.6 73.5 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.2 -18,-0.2 2,-0.5 -0.995 18.4-142.4-129.8 132.5 11.6 54.9 72.1 24 24 A Y E +AC 4 28A 103 -20,-3.2 -20,-2.4 -2,-0.4 4,-0.2 -0.844 40.0 136.8-103.2 126.0 8.4 54.3 74.1 25 25 A S S S- 0 0 47 2,-2.8 2,-2.7 -2,-0.5 -2,-0.0 -0.551 94.2 -49.5-163.6 85.0 5.3 52.6 72.7 26 26 A T S S+ 0 0 115 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.363 140.1 37.4 75.7 -57.6 3.9 50.0 75.1 27 27 A Y S S- 0 0 115 -2,-2.7 -2,-2.8 -4,-0.0 2,-0.6 -0.670 94.4-111.3-111.4 168.9 7.4 48.7 75.3 28 28 A Y E -CD 24 57A 55 29,-3.1 29,-2.5 -2,-0.2 2,-0.3 -0.929 39.4-160.4-102.7 122.5 10.7 50.6 75.4 29 29 A Y E -CD 23 56A 46 -6,-3.2 2,-2.2 -2,-0.6 -6,-1.8 -0.758 28.8-115.1-106.8 152.2 12.6 49.9 72.2 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.1 11,-0.3 2,-0.4 -0.572 71.4 129.5 -82.0 78.0 16.3 50.3 71.3 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.962 44.5-158.8-137.0 114.4 15.5 53.0 68.8 32 32 A D E +E 39 0B 2 7,-2.7 7,-1.4 -2,-0.4 3,-0.5 -0.864 12.5 177.8 -99.2 108.9 17.4 56.2 69.0 33 33 A N + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.2 -28,-0.1 0.418 67.2 79.1 -90.7 1.2 15.5 59.0 67.2 34 34 A T S S+ 0 0 90 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.611 85.5 63.4 -85.1 -11.3 18.1 61.7 68.0 35 35 A R S > S- 0 0 48 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.925 111.4 -64.7-122.0 111.6 20.5 60.8 65.3 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.199 112.4 -18.7 53.8-138.6 19.7 61.0 61.6 37 37 A N T 3 S- 0 0 108 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.266 119.6 -84.8 -83.8 12.9 16.9 58.6 60.5 38 38 A G < - 0 0 1 -3,-2.3 62,-2.3 60,-0.1 2,-0.5 -0.099 28.5-104.5 107.1 157.2 17.6 56.6 63.7 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.7 60,-0.2 2,-0.4 -0.994 36.0-169.2-121.7 123.7 19.7 53.9 65.2 40 40 A F E -Ef 31 101B 22 60,-3.2 62,-2.2 -2,-0.5 2,-0.5 -0.957 7.3-163.8-120.0 133.3 18.0 50.5 65.6 41 41 A T E - f 0 102B 0 -11,-2.1 14,-2.5 -2,-0.4 -11,-0.3 -0.968 11.8-164.2-121.0 129.2 19.3 47.5 67.6 42 42 A Y E -Gf 54 103B 29 60,-3.4 62,-2.4 -2,-0.5 2,-0.6 -0.763 20.4-127.6-113.7 157.1 17.8 44.1 67.1 43 43 A D E -Gf 53 104B 25 10,-3.0 10,-2.1 -2,-0.3 62,-0.2 -0.905 15.2-173.3-102.5 116.8 17.8 40.7 68.9 44 44 A A > - 0 0 4 60,-2.6 3,-2.4 -2,-0.6 5,-0.3 0.477 29.4-141.6 -87.2 -4.7 18.9 37.8 66.6 45 45 A K T 3 - 0 0 107 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.786 61.4 -59.9 48.3 41.4 18.1 35.4 69.4 46 46 A Y T 3 S+ 0 0 109 59,-2.5 -1,-0.3 1,-0.2 60,-0.2 0.551 114.4 112.3 67.6 9.3 21.1 33.1 68.7 47 47 A R S < S- 0 0 177 -3,-2.4 60,-2.3 58,-0.3 -1,-0.2 -0.472 71.4-129.6-101.9 177.8 19.8 32.4 65.2 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.343 71.1 112.1-110.8 4.5 21.3 33.5 61.8 49 49 A T S S- 0 0 100 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.637 70.1 -99.0 -78.8 132.8 18.1 35.1 60.4 50 50 A L S S- 0 0 54 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.856 81.1 -5.4-116.5 152.1 18.5 38.8 60.0 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 79.7-165.9 -84.5 -12.8 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 -0.792 46.6 -27.4 103.1-149.6 15.7 39.6 64.0 53 53 A S E -G 43 0B 52 -10,-2.1 -10,-3.0 -2,-0.3 -8,-0.1 -0.862 66.1-104.2-109.6 138.9 13.3 41.5 66.2 54 54 A L E -G 42 0B 34 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.368 54.0 -97.5 -57.1 130.4 13.6 45.2 67.3 55 55 A W - 0 0 10 -14,-2.5 -25,-1.9 -25,-0.2 2,-0.4 -0.329 47.7-172.0 -60.0 117.5 14.9 45.1 70.8 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.915 6.9-178.0-115.2 137.9 11.9 45.5 73.3 57 57 A D E -D 28 0A 22 -29,-2.5 -29,-3.1 -2,-0.4 3,-0.1 -0.996 23.5-143.2-136.2 139.8 12.2 46.0 77.0 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.806 94.7 22.5 -73.5 -31.3 9.4 46.3 79.6 59 59 A D S S- 0 0 87 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.381 95.4-114.6-122.9 7.9 11.0 48.9 82.0 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.704 82.0 115.6 67.3 19.6 13.7 50.9 80.1 61 61 A Q E -b 9 0A 98 -53,-0.2 2,-0.5 -51,-0.0 -2,-0.3 -0.990 45.7-170.2-121.6 122.6 16.3 49.4 82.4 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.1 -2,-0.5 9,-0.1 -0.560 40.3 123.9-116.8 69.8 18.9 47.2 80.7 63 63 A F + 0 0 68 -2,-0.5 2,-0.2 -53,-0.2 -1,-0.1 0.323 39.8 110.8-107.6 5.5 20.9 45.5 83.5 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.1 1,-0.1 4,-1.1 -0.525 76.2-122.0 -79.6 149.2 20.4 41.8 82.5 65 65 A S T 34 S+ 0 0 114 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.878 114.8 57.5 -58.2 -36.1 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 0.768 103.7 54.7 -65.2 -25.2 21.4 39.2 78.0 67 67 A D T X> S+ 0 0 17 -3,-1.1 4,-2.2 1,-0.2 3,-0.9 0.781 84.6 86.0 -78.3 -29.9 21.0 43.0 77.5 68 68 A A H 3X S+ 0 0 14 -4,-1.1 4,-2.1 -3,-0.5 -55,-0.5 0.826 87.7 47.1 -41.3 -54.6 24.7 43.9 77.7 69 69 A P H 3> S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.857 113.8 50.0 -60.8 -34.8 25.6 43.4 74.0 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.4 5,-0.3 0.902 107.3 53.7 -69.8 -42.4 22.6 45.3 72.9 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 -60,-0.2 5,-0.2 0.938 114.2 41.3 -57.8 -48.4 23.4 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 0.889 113.0 51.6 -70.0 -40.0 26.9 48.6 73.7 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.922 115.8 43.7 -61.9 -40.9 26.0 48.0 70.1 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.943 118.0 43.3 -68.0 -49.5 23.3 50.7 70.4 75 75 A Y H X S+ 0 0 93 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.916 114.8 46.8 -65.4 -46.6 25.5 53.2 72.4 76 76 A Y H X S+ 0 0 13 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.777 106.3 58.3 -71.2 -25.3 28.7 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 0.897 107.6 50.1 -67.6 -37.0 26.8 53.1 67.1 78 78 A G H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.915 109.3 49.1 -65.4 -43.8 25.7 56.5 68.4 79 79 A V H X S+ 0 0 16 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.899 111.7 49.7 -62.6 -40.7 29.2 57.6 69.3 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.903 108.8 51.9 -65.9 -40.7 30.4 56.6 65.9 81 81 A Y H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 11,-0.3 0.927 110.1 50.2 -60.2 -43.3 27.6 58.5 64.3 82 82 A D H X S+ 0 0 37 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.895 107.2 54.3 -62.0 -41.8 28.6 61.6 66.4 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 5,-0.7 0.963 111.3 43.4 -57.0 -55.0 32.3 61.2 65.3 84 84 A Y H X5S+ 0 0 6 -4,-2.2 6,-2.6 3,-0.2 4,-0.9 0.870 118.7 45.1 -61.6 -36.0 31.5 61.3 61.6 85 85 A K H X5S+ 0 0 89 -4,-2.2 4,-0.9 4,-0.3 -2,-0.2 0.953 120.5 36.2 -73.6 -49.3 29.0 64.1 62.0 86 86 A N H <5S+ 0 0 93 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.840 128.5 31.7 -74.5 -35.3 31.1 66.4 64.3 87 87 A V H <5S+ 0 0 55 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.851 135.2 20.8 -92.0 -39.5 34.5 65.7 62.9 88 88 A H H < - 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0 0 27 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.635 60.9 -99.8 -87.9 147.2 51.3 40.8 60.4 214 214 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.323 28.9-175.3 -65.5 142.2 53.6 42.5 57.9 215 215 A D S S+ 0 0 15 1,-0.1 2,-0.3 -7,-0.1 18,-0.0 0.106 71.8 46.6-122.1 17.8 55.0 46.0 58.7 216 216 A H S > S- 0 0 38 98,-0.1 3,-1.9 1,-0.1 98,-0.2 -0.966 82.4-120.0-157.7 143.7 56.7 46.5 55.3 217 217 A Y G > S+ 0 0 65 96,-3.2 3,-1.6 -2,-0.3 97,-0.1 0.780 110.2 65.9 -57.0 -29.8 55.7 45.9 51.7 218 218 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.722 102.2 49.1 -66.5 -19.6 58.5 43.5 51.2 219 219 A K G < S+ 0 0 122 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.189 82.4 139.1-104.8 15.9 56.8 41.1 53.7 220 220 A R < - 0 0 97 -3,-1.6 2,-0.4 1,-0.1 9,-0.1 -0.270 57.9-113.4 -63.8 145.1 53.4 41.3 52.1 221 221 A Y - 0 0 62 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.653 30.3-178.5 -79.9 130.7 51.3 38.1 51.9 222 222 A T + 0 0 106 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.258 45.6 104.9-114.9 10.6 50.8 37.0 48.3 223 223 A G S S- 0 0 27 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.032 76.9-112.8 -79.7-168.4 48.7 33.9 48.9 224 224 A T S >> S+ 0 0 132 4,-0.1 4,-0.6 3,-0.1 3,-0.5 0.541 76.4 109.0-105.3 -10.9 45.0 33.3 48.4 225 225 A Q H >> S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 3,-0.9 -0.257 79.3 20.6 -66.0 154.4 43.9 32.8 52.0 226 226 A D H 3> S- 0 0 55 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.891 137.2 -59.9 54.6 44.1 41.8 35.5 53.7 227 227 A N H <4 S- 0 0 88 -3,-0.5 -68,-2.3 1,-0.2 -1,-0.3 0.839 114.3 -36.2 54.2 35.9 40.7 37.0 50.3 228 228 A G H << S- 0 0 4 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.749 114.1 -58.9 89.5 24.9 44.3 37.6 49.4 229 229 A G H >X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.1 3,-0.6 0.866 76.9 160.0 73.1 41.0 45.3 38.6 53.0 230 230 A V T 3< S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.2 -64,-0.1 0.837 81.1 40.0 -63.7 -32.3 43.0 41.5 53.6 231 231 A H T 34 S+ 0 0 37 -5,-0.3 -1,-0.2 2,-0.1 -5,-0.1 0.522 121.0 46.8 -92.0 -6.9 43.4 41.2 57.4 232 232 A I T X4 S+ 0 0 45 -3,-0.6 3,-1.7 -6,-0.2 -2,-0.2 0.881 112.2 42.3 -96.6 -58.2 47.1 40.5 57.0 233 233 A N T >X S+ 0 0 4 -4,-2.9 3,-1.3 1,-0.3 4,-0.8 0.589 94.6 82.1 -68.7 -9.5 48.4 43.1 54.6 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-2.9 -4,-0.3 -1,-0.3 0.778 77.8 73.6 -64.7 -22.8 46.3 45.8 56.3 235 235 A G H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.822 88.6 57.7 -60.0 -31.7 49.2 45.9 58.7 236 236 A I H <> S+ 0 0 0 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.908 112.9 38.8 -66.1 -41.7 51.4 47.6 56.2 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 -2,-0.2 0.869 113.1 55.7 -76.8 -37.9 48.9 50.5 55.9 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.914 108.1 49.6 -60.7 -41.4 48.1 50.5 59.6 239 239 A K H X S+ 0 0 23 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.918 109.7 51.2 -63.6 -42.4 51.8 51.0 60.3 240 240 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.915 111.1 48.1 -60.6 -42.6 52.0 53.8 57.8 241 241 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.904 110.3 51.5 -64.5 -42.3 49.0 55.5 59.5 242 242 A Y H X>S+ 0 0 55 -4,-2.5 4,-3.1 -37,-0.2 5,-0.6 0.917 111.1 48.3 -60.4 -44.3 50.5 55.1 62.9 243 243 A L H X5S+ 0 0 3 -4,-2.5 4,-1.9 3,-0.2 -2,-0.2 0.909 107.5 54.7 -64.3 -42.7 53.7 56.7 61.7 244 244 A I H <5S+ 0 0 1 -4,-2.4 14,-2.8 -5,-0.2 15,-0.4 0.920 119.0 34.4 -57.6 -42.4 52.0 59.6 60.1 245 245 A S H <5S+ 0 0 4 -4,-2.0 14,-2.0 12,-0.3 -2,-0.2 0.958 135.0 20.6 -77.6 -53.4 50.2 60.4 63.4 246 246 A Q H <5S- 0 0 94 -4,-3.1 11,-0.4 -5,-0.2 -3,-0.2 0.702 94.2-146.6 -92.5 -24.1 52.8 59.5 66.0 247 247 A G << + 0 0 11 -4,-1.9 2,-0.2 -5,-0.6 9,-0.2 -0.128 31.2 144.2 80.8 177.3 56.0 59.6 64.1 248 248 A G E -L 255 0E 34 7,-2.4 7,-2.8 -4,-0.1 2,-0.5 -0.762 51.2 -75.8 138.4 175.5 59.1 57.4 64.6 249 249 A T E +L 254 0E 95 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.959 42.6 179.7-114.5 123.7 61.9 55.6 62.8 250 250 A H E > S-L 253 0E 18 3,-2.5 3,-2.0 -2,-0.5 -2,-0.0 -0.988 70.5 -14.6-128.7 122.3 60.9 52.4 60.9 251 251 A Y T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.873 130.6 -51.8 52.9 40.4 63.5 50.4 58.9 252 252 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.395 114.0 116.8 81.8 -4.0 65.9 53.3 59.1 253 253 A V E < -L 250 0E 38 -3,-2.0 -3,-2.5 59,-0.1 2,-0.4 -0.881 54.9-145.7-103.3 123.7 63.4 55.9 57.8 254 254 A S E -L 249 0E 71 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.718 13.3-169.5 -92.9 133.9 62.4 58.7 60.1 255 255 A V E -L 248 0E 9 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.7 -0.973 17.0-140.6-124.2 132.7 58.9 60.2 60.1 256 256 A V - 0 0 85 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.823 29.2-126.9 -91.8 117.8 57.8 63.4 61.9 257 257 A G - 0 0 31 -2,-0.7 -12,-0.3 -11,-0.4 -11,-0.2 -0.351 22.1-171.4 -66.5 142.7 54.3 62.8 63.4 258 258 A I - 0 0 25 -14,-2.8 4,-0.4 1,-0.2 -13,-0.2 0.361 46.0-105.9-114.0 1.7 51.6 65.3 62.6 259 259 A G > - 0 0 26 -14,-2.0 4,-1.6 -15,-0.4 -1,-0.2 0.032 28.1 -79.5 95.1 159.3 48.9 64.0 65.0 260 260 A R H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.843 119.7 57.9 -66.1 -39.5 45.6 62.1 64.9 261 261 A D H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 110.8 42.2 -60.1 -46.8 43.4 64.9 63.8 262 262 A K H > S+ 0 0 72 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.868 110.7 56.8 -69.1 -34.9 45.4 65.6 60.7 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.948 109.1 47.8 -59.0 -46.4 45.7 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 0.907 112.0 48.1 -61.0 -44.4 41.9 61.6 60.1 265 265 A K H X S+ 0 0 111 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 112.9 48.5 -64.3 -43.2 41.4 64.6 57.8 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.937 116.2 41.3 -63.8 -48.1 44.0 63.3 55.3 267 267 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.840 112.2 54.0 -71.9 -31.8 42.6 59.7 55.1 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.911 111.2 46.8 -67.6 -40.3 38.9 60.8 55.1 269 269 A R H X>S+ 0 0 77 -4,-1.9 4,-2.2 -5,-0.2 5,-0.6 0.911 112.2 50.0 -66.7 -41.3 39.6 63.1 52.1 270 270 A A H X>S+ 0 0 1 -4,-2.0 5,-2.4 1,-0.2 4,-1.5 0.934 113.0 47.4 -61.5 -44.8 41.5 60.3 50.3 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.3 1,-0.2 -2,-0.2 0.899 120.2 36.1 -63.0 -43.8 38.6 57.9 51.0 272 272 A T H <5S+ 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.655 130.2 25.1 -88.3 -16.7 35.9 60.2 49.8 273 273 A Q H <5S+ 0 0 119 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.710 128.5 21.6-119.9 -27.4 37.6 62.0 46.9 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.5 -122,-0.1 -120,-0.1 -0.766 40.6 -89.2-127.1 173.3 38.2 53.9 43.7 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.805 124.9 38.4 -55.7 -31.7 37.0 50.3 43.9 278 278 A T T 3 S+ 0 0 96 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.200 80.8 143.1-107.6 17.1 40.3 48.9 42.5 279 279 A S < - 0 0 4 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.276 32.4-158.7 -58.6 137.0 42.8 51.2 44.2 280 280 A N > - 0 0 62 -119,-0.1 4,-1.9 -120,-0.1 3,-0.2 -0.487 36.6 -86.7-106.8-178.2 46.1 49.5 45.2 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.894 126.4 52.4 -56.6 -44.9 48.7 50.5 47.8 282 282 A S H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 110.9 48.3 -61.1 -37.3 50.7 52.7 45.4 283 283 A Q H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.820 107.0 56.0 -73.5 -29.7 47.5 54.5 44.5 284 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.910 106.1 51.8 -66.6 -40.4 46.6 55.0 48.1 285 285 A R H X S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.943 111.2 46.6 -59.5 -47.7 50.0 56.7 48.6 286 286 A A H X S+ 0 0 59 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.902 112.8 50.3 -60.9 -42.0 49.2 59.0 45.7 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.892 111.7 47.4 -64.2 -40.9 45.7 59.7 47.1 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.899 112.4 49.1 -68.3 -41.3 47.1 60.5 50.6 289 289 A V H X S+ 0 0 25 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.926 112.9 47.4 -63.9 -44.0 49.8 62.8 49.2 290 290 A Q H X S+ 0 0 85 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.895 111.4 51.4 -64.3 -40.0 47.2 64.6 47.1 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.918 110.9 47.0 -63.2 -44.1 44.8 64.9 50.0 292 292 A A H X>S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.871 111.5 53.3 -65.2 -35.7 47.5 66.4 52.2 293 293 A T H X5S+ 0 0 38 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.922 107.7 49.6 -64.5 -44.7 48.5 68.7 49.4 294 294 A D H <5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 120.3 36.7 -60.2 -41.2 44.9 70.0 49.1 295 295 A L H <5S+ 0 0 71 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.819 135.0 13.3 -84.3 -34.4 44.6 70.6 52.8 296 296 A Y H <5S- 0 0 63 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.490 106.7 -95.8-125.5 -4.9 48.1 71.9 53.8 297 297 A G ><< - 0 0 30 -4,-1.8 3,-1.7 -5,-0.5 6,-0.4 0.113 33.2 -90.0 100.6 145.3 50.1 72.8 50.7 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.748 125.9 45.9 -61.9 -25.9 52.6 70.9 48.5 299 299 A T T 3 S+ 0 0 137 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.114 90.0 122.5-104.9 21.8 55.5 72.2 50.6 300 300 A S S <> S- 0 0 19 -3,-1.7 4,-1.7 1,-0.1 -3,-0.1 -0.360 72.8-121.8 -82.3 161.8 53.9 71.5 54.0 301 301 A Q H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 112.8 62.1 -67.9 -33.7 55.3 69.3 56.8 302 302 A E H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 104.3 44.9 -58.3 -47.3 52.1 67.3 56.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.906 112.2 53.6 -64.7 -40.5 52.8 66.3 52.9 304 304 A A H X S+ 0 0 42 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.918 108.5 48.9 -59.9 -45.0 56.4 65.5 53.9 305 305 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.852 108.1 53.4 -65.0 -37.0 55.3 63.2 56.7 306 306 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.929 111.2 46.5 -64.5 -43.7 52.9 61.3 54.5 307 307 A K H X S+ 0 0 91 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.919 112.9 49.4 -63.7 -44.1 55.7 60.6 51.9 308 308 A Q H X S+ 0 0 76 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.881 108.7 53.6 -62.4 -39.7 58.1 59.5 54.6 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.925 111.4 43.6 -62.9 -47.1 55.6 57.2 56.2 310 310 A F H <>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 -1,-0.2 0.857 112.1 54.0 -69.0 -32.1 54.9 55.3 53.0 311 311 A D H ><5S+ 0 0 71 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.917 104.7 56.8 -64.6 -40.7 58.6 55.2 52.2 312 312 A A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 110.3 42.2 -59.2 -36.6 59.1 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 0.280 118.5-109.7 -95.6 10.7 56.8 50.8 54.8 314 314 A G T < 5 + 0 0 28 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.702 68.5 142.7 73.3 22.4 58.1 50.3 51.3 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.863 360.0 360.0-101.1 112.3 55.1 51.6 49.4 316 316 A K 0 0 194 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.774 360.0 360.0-103.4 360.0 56.2 53.6 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 65 0, 0.0 -204,-0.2 0, 0.0 -175,-0.0 0.000 360.0 360.0 360.0 360.0 35.0 41.1 59.7