==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-DEC-08 3FOR . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR S.-F.WANG,J.-Y.JIN,G.-R.TIAN . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 71.5 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 10.8 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 0.3 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.5 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 83 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 168.6 -38.2 -28.7 -0.5 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.749 360.0 102.8 -89.3 129.9 -40.3 -25.6 0.2 3 3 A G - 0 0 44 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.947 68.2 -61.6-176.2-165.0 -40.0 -24.4 3.8 4 4 A T E -A 24 0A 85 20,-1.8 20,-3.0 -2,-0.3 2,-0.2 -0.887 49.1-112.7-109.3 137.2 -38.5 -21.8 6.2 5 5 A S E +A 23 0A 67 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.449 44.9 168.6 -68.2 131.5 -34.8 -21.4 6.7 6 6 A T E -A 22 0A 32 16,-2.7 16,-2.4 -2,-0.2 2,-0.5 -0.775 32.3-119.9-134.5 177.8 -33.6 -22.4 10.1 7 7 A V E -A 21 0A 91 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.958 27.4-175.5-129.7 113.9 -30.3 -23.1 12.0 8 8 A G E -A 20 0A 1 12,-2.8 12,-2.2 -2,-0.5 2,-0.3 -0.436 13.7-139.1 -97.7 176.7 -29.6 -26.4 13.5 9 9 A V E +Ab 19 61A 22 51,-1.7 53,-3.6 10,-0.2 2,-0.3 -0.994 31.4 139.4-138.6 143.6 -26.7 -27.5 15.6 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.1 -2,-0.3 2,-0.4 -0.858 43.6 -92.0-159.5-164.4 -24.7 -30.7 15.6 11 11 A R E -A 17 0A 105 51,-2.1 6,-0.2 -2,-0.3 60,-0.2 -0.995 32.1-140.0-131.5 132.2 -21.3 -32.5 15.9 12 12 A G > - 0 0 3 4,-3.1 3,-1.9 -2,-0.4 56,-0.2 -0.102 40.4 -82.7 -80.9-176.0 -19.1 -33.4 13.0 13 13 A V T 3 S+ 0 0 30 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.797 129.1 51.7 -57.8 -33.1 -17.0 -36.6 12.4 14 14 A L T 3 S- 0 0 82 54,-0.1 -1,-0.3 121,-0.1 3,-0.1 0.280 122.3-103.8 -89.8 11.2 -14.1 -35.3 14.6 15 15 A G S < S+ 0 0 44 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.593 74.9 141.7 80.1 10.4 -16.5 -34.5 17.5 16 16 A D - 0 0 52 1,-0.0 -4,-3.1 -5,-0.0 2,-0.3 -0.665 48.0-128.0 -88.4 140.2 -16.5 -30.7 16.9 17 17 A Q E +A 11 0A 127 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.656 36.3 160.5 -88.6 141.6 -19.8 -28.8 17.3 18 18 A K E -A 10 0A 17 -8,-2.1 -8,-2.3 -2,-0.3 2,-0.3 -0.992 37.1-113.9-156.5 155.5 -21.0 -26.5 14.6 19 19 A N E -A 9 0A 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.696 31.0-164.0 -92.0 146.3 -24.2 -24.8 13.4 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.5 -0.986 22.7-115.6-133.7 144.2 -25.7 -25.8 10.1 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.655 44.6 170.0 -79.5 123.3 -28.3 -24.2 7.8 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.7 -2,-0.5 2,-0.4 -0.658 29.7-126.0-125.2 179.7 -31.4 -26.2 7.6 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.0 -18,-0.2 2,-0.5 -0.996 18.8-144.2-133.1 127.5 -35.0 -26.0 6.2 24 24 A Y E +AC 4 28A 95 -20,-3.0 -20,-1.8 -2,-0.4 4,-0.2 -0.816 39.1 137.8 -99.6 129.4 -38.1 -26.6 8.3 25 25 A S S S- 0 0 46 2,-2.6 2,-2.5 -2,-0.5 -23,-0.0 -0.517 94.7 -49.0-165.5 82.8 -41.2 -28.3 6.9 26 26 A T S S+ 0 0 110 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.339 140.3 39.7 76.9 -54.6 -42.7 -30.8 9.3 27 27 A Y S S- 0 0 116 -2,-2.5 -2,-2.6 -4,-0.1 2,-0.6 -0.749 93.1-112.6-115.0 164.8 -39.1 -32.2 9.6 28 28 A Y E -CD 24 57A 59 29,-3.5 29,-2.3 -2,-0.3 2,-0.3 -0.900 39.5-161.4 -99.5 118.5 -35.8 -30.3 9.7 29 29 A Y E -CD 23 56A 47 -6,-3.0 2,-2.4 -2,-0.6 -6,-1.8 -0.768 29.4-114.7-105.2 149.4 -33.9 -31.0 6.4 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.3 11,-0.3 2,-0.4 -0.534 71.1 130.8 -78.6 77.3 -30.2 -30.6 5.6 31 31 A Q E -E 40 0B 9 -2,-2.4 2,-0.7 9,-0.2 9,-0.2 -0.958 44.2-158.2-135.8 112.2 -31.0 -27.9 3.0 32 32 A D E +E 39 0B 3 7,-2.7 7,-1.4 -2,-0.4 3,-0.5 -0.840 13.0 177.3 -95.7 108.9 -29.0 -24.7 3.2 33 33 A N + 0 0 58 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.471 67.1 79.9 -89.6 -2.8 -31.0 -21.9 1.4 34 34 A T S S+ 0 0 82 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.607 84.9 63.2 -80.7 -12.8 -28.4 -19.2 2.2 35 35 A R S > S- 0 0 48 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.933 111.6 -65.3-121.5 113.9 -26.0 -20.2 -0.5 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.198 113.2 -17.6 52.1-134.1 -26.9 -19.9 -4.2 37 37 A D T 3 S- 0 0 106 60,-1.3 -1,-0.3 1,-0.3 62,-0.2 0.073 119.2 -82.9 -91.1 24.1 -29.7 -22.2 -5.2 38 38 A G < - 0 0 2 -3,-2.3 62,-2.2 60,-0.1 2,-0.5 0.078 29.0-107.9 97.6 155.3 -29.1 -24.3 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.7 60,-0.2 2,-0.4 -0.996 35.2-167.3-122.3 122.3 -26.8 -27.0 -0.6 40 40 A F E -Ef 31 101B 19 60,-2.9 62,-2.5 -2,-0.5 2,-0.5 -0.956 6.9-164.4-119.5 129.6 -28.6 -30.4 -0.1 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.7 -2,-0.4 -11,-0.3 -0.941 11.4-168.1-116.5 130.9 -27.3 -33.3 1.9 42 42 A Y E -Gf 54 103B 27 60,-3.4 62,-2.3 -2,-0.5 2,-0.6 -0.740 21.9-122.9-116.0 163.0 -28.8 -36.8 1.5 43 43 A D E -Gf 53 104B 20 10,-2.6 10,-1.8 -2,-0.3 62,-0.2 -0.921 13.9-171.3-107.2 119.2 -28.6 -40.1 3.3 44 44 A A > - 0 0 2 60,-3.0 3,-2.0 -2,-0.6 5,-0.3 0.558 29.6-141.8 -84.8 -10.1 -27.5 -43.1 1.1 45 45 A K T 3 - 0 0 111 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.805 62.0 -59.8 53.2 38.1 -28.4 -45.5 4.0 46 46 A Y T 3 S+ 0 0 107 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.546 116.7 104.2 70.6 8.6 -25.4 -47.8 3.4 47 47 A R S < S- 0 0 178 -3,-2.0 60,-2.5 58,-0.3 -1,-0.3 -0.489 74.0-124.9-110.1-177.0 -26.5 -48.5 -0.2 48 48 A T + 0 0 81 58,-0.2 2,-0.5 -2,-0.2 -3,-0.1 0.327 69.3 112.5-114.4 7.4 -25.3 -47.3 -3.6 49 49 A T S S- 0 0 96 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.716 71.8-100.2 -82.0 125.9 -28.5 -45.9 -5.1 50 50 A L S S- 0 0 58 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.780 81.8 -2.9-109.3 152.0 -28.1 -42.2 -5.4 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 79.0-165.9 -85.0 -10.9 -28.7 -39.7 -4.1 52 52 A G - 0 0 33 -10,-0.1 2,-0.4 -8,-0.1 -8,-0.2 -0.776 48.2 -28.5 100.1-150.2 -30.9 -41.4 -1.5 53 53 A S E -G 43 0B 47 -10,-1.8 -10,-2.6 -2,-0.3 3,-0.1 -0.869 66.1-101.9-112.2 139.3 -33.2 -39.3 0.6 54 54 A L E -G 42 0B 27 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.287 55.9 -95.6 -52.0 128.3 -32.9 -35.6 1.6 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.305 48.0-168.8 -56.9 114.7 -31.6 -35.7 5.2 56 56 A A E -D 29 0A 47 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.891 7.2-178.7-110.3 135.3 -34.6 -35.4 7.5 57 57 A D E -D 28 0A 20 -29,-2.3 -29,-3.5 -2,-0.4 5,-0.1 -0.999 23.5-145.0-137.0 136.4 -34.4 -34.7 11.2 58 58 A A S S+ 0 0 73 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.825 94.1 19.2 -69.7 -36.2 -37.1 -34.4 13.9 59 59 A D S S- 0 0 96 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.362 95.8-113.8-122.6 8.3 -35.6 -31.7 16.2 60 60 A N S S+ 0 0 14 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.685 80.2 118.0 69.2 18.3 -32.9 -29.8 14.3 61 61 A Q E -b 9 0A 80 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.973 44.6-169.0-115.3 126.1 -30.2 -31.2 16.6 62 62 A F E +b 10 0A 0 -53,-3.6 -51,-2.1 -2,-0.5 9,-0.1 -0.448 41.9 121.9-119.3 66.6 -27.5 -33.4 14.9 63 63 A F + 0 0 65 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.384 38.6 110.6-103.8 1.1 -25.5 -35.1 17.7 64 64 A A S >> S- 0 0 51 -3,-0.2 4,-1.2 1,-0.1 3,-0.9 -0.466 75.9-122.4 -75.3 150.6 -26.0 -38.8 16.9 65 65 A S T 34 S+ 0 0 113 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.867 115.6 57.7 -60.5 -33.7 -23.0 -40.6 15.6 66 66 A Y T 34 S+ 0 0 70 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.795 104.0 53.9 -65.1 -28.3 -25.0 -41.5 12.5 67 67 A D T X> S+ 0 0 18 -3,-0.9 4,-2.4 1,-0.2 3,-0.8 0.773 85.6 85.2 -76.1 -30.5 -25.5 -37.7 11.9 68 68 A A H 3X S+ 0 0 13 -4,-1.2 4,-2.1 -3,-0.4 -55,-0.5 0.846 87.9 47.8 -42.2 -54.7 -21.8 -36.8 12.0 69 69 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.872 113.8 48.8 -59.7 -35.0 -20.9 -37.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.3 -4,-0.4 5,-0.3 0.899 107.3 55.4 -70.3 -41.6 -23.9 -35.5 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -60,-0.2 5,-0.2 0.947 113.8 40.1 -56.7 -49.9 -23.1 -32.6 9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.4 0.887 112.3 53.5 -69.2 -40.2 -19.6 -32.2 7.9 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.918 115.8 42.6 -59.6 -41.5 -20.6 -32.9 4.3 74 74 A H H X S+ 0 0 4 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.952 118.3 43.2 -68.2 -53.6 -23.2 -30.1 4.6 75 75 A Y H X S+ 0 0 97 -4,-2.7 4,-1.8 -5,-0.3 3,-0.3 0.923 115.2 47.3 -61.7 -48.8 -21.0 -27.7 6.6 76 76 A Y H X S+ 0 0 6 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.792 106.1 57.9 -68.0 -27.0 -17.9 -28.1 4.5 77 77 A A H X S+ 0 0 2 -4,-1.2 4,-2.0 -5,-0.4 -1,-0.2 0.864 107.8 50.2 -67.8 -32.5 -19.8 -27.8 1.2 78 78 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.906 109.1 49.2 -69.7 -42.3 -20.8 -24.4 2.6 79 79 A V H X S+ 0 0 14 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.906 112.0 48.9 -62.9 -41.9 -17.3 -23.4 3.4 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.888 109.5 52.1 -65.7 -39.5 -16.1 -24.5 -0.1 81 81 A Y H X S+ 0 0 12 -4,-2.0 4,-2.1 1,-0.2 11,-0.3 0.932 110.0 49.7 -61.2 -44.9 -19.0 -22.5 -1.6 82 82 A D H X S+ 0 0 37 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.880 107.3 55.6 -61.6 -39.4 -17.9 -19.4 0.4 83 83 A Y H X>S+ 0 0 12 -4,-2.1 4,-2.6 1,-0.2 5,-0.7 0.968 110.7 42.1 -58.2 -56.4 -14.3 -19.9 -0.7 84 84 A Y H X5S+ 0 0 3 -4,-2.1 6,-2.8 3,-0.2 4,-1.1 0.862 119.4 45.4 -61.0 -36.5 -15.0 -19.8 -4.4 85 85 A K H X5S+ 0 0 87 -4,-2.1 4,-1.1 4,-0.3 -2,-0.2 0.969 120.9 34.6 -72.2 -54.6 -17.5 -16.9 -4.0 86 86 A N H <5S+ 0 0 98 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.815 129.3 33.9 -72.0 -32.7 -15.5 -14.6 -1.8 87 87 A V H <5S+ 0 0 52 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.849 135.7 18.1 -93.0 -37.8 -12.0 -15.4 -3.2 88 88 A H H < - 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0 0 67 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.788 28.0-130.9 -88.2 118.4 11.0 -17.8 -4.6 257 257 A G - 0 0 33 -2,-0.7 -12,-0.3 -11,-0.4 -11,-0.2 -0.405 22.0-173.0 -70.9 144.8 7.6 -18.3 -2.9 258 258 A I - 0 0 24 -14,-2.6 4,-0.3 1,-0.2 -13,-0.2 0.396 46.1-102.3-116.5 -1.5 4.8 -15.9 -3.5 259 259 A G > - 0 0 27 -14,-1.9 4,-1.7 -15,-0.3 -1,-0.2 0.029 30.9 -81.3 97.1 155.1 2.2 -17.1 -1.1 260 260 A R H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.851 120.1 58.0 -61.4 -41.9 -1.0 -19.1 -1.1 261 261 A D H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 110.1 42.8 -59.8 -43.3 -3.3 -16.3 -2.3 262 262 A K H > S+ 0 0 76 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.859 111.3 55.8 -71.7 -34.4 -1.3 -15.6 -5.5 263 263 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.943 110.3 46.6 -59.9 -47.0 -1.0 -19.4 -6.1 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.899 111.9 49.8 -62.2 -42.7 -4.7 -19.6 -5.9 265 265 A K H X S+ 0 0 82 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 113.0 46.7 -63.1 -44.6 -5.2 -16.6 -8.2 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.934 116.9 41.8 -64.2 -48.4 -2.8 -18.0 -10.8 267 267 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.825 111.8 54.5 -71.8 -30.9 -4.2 -21.5 -10.9 268 268 A Y H X S+ 0 0 31 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.930 111.8 45.8 -66.9 -42.0 -7.8 -20.4 -10.8 269 269 A R H X>S+ 0 0 63 -4,-1.9 4,-2.0 -5,-0.2 5,-0.5 0.899 112.5 49.7 -65.6 -42.7 -7.2 -18.2 -13.9 270 270 A A H X>S+ 0 0 1 -4,-2.1 5,-3.0 1,-0.2 4,-1.7 0.922 112.7 48.8 -61.4 -44.1 -5.3 -21.0 -15.7 271 271 A L H <5S+ 0 0 1 -4,-2.4 -118,-0.3 1,-0.2 -2,-0.2 0.890 119.7 35.6 -63.0 -42.3 -8.1 -23.4 -14.9 272 272 A T H <5S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.602 131.5 22.5 -92.1 -12.7 -10.9 -21.1 -16.1 273 273 A Q H <5S+ 0 0 103 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.593 129.3 23.0-129.8 -14.2 -9.3 -19.3 -19.0 274 274 A Y T < - 0 0 60 -2,-0.1 3,-1.6 -122,-0.1 -120,-0.1 -0.744 40.5 -89.2-125.5 174.1 -8.5 -27.4 -22.1 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.9 0, 0.0 -123,-0.1 0.805 125.7 40.5 -55.5 -31.4 -9.6 -31.0 -21.9 278 278 A T T 3 S+ 0 0 94 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.196 80.1 143.3-105.5 16.6 -6.4 -32.3 -23.4 279 279 A S < - 0 0 6 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.312 31.7-160.5 -60.2 133.5 -3.9 -30.1 -21.6 280 280 A N > - 0 0 60 -119,-0.1 4,-1.9 -120,-0.1 3,-0.2 -0.528 37.2 -88.5-105.2 177.7 -0.6 -31.8 -20.7 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.885 127.2 50.5 -53.9 -46.3 2.0 -30.8 -18.1 282 282 A S H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 111.4 49.5 -61.4 -37.6 4.0 -28.6 -20.5 283 283 A Q H > S+ 0 0 87 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.813 106.8 55.5 -72.3 -28.5 0.7 -26.8 -21.5 284 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.907 104.9 53.3 -68.6 -40.7 -0.1 -26.3 -17.8 285 285 A R H X S+ 0 0 37 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.933 110.8 46.5 -58.1 -45.3 3.2 -24.6 -17.4 286 286 A A H X S+ 0 0 60 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.886 111.6 50.6 -64.4 -41.0 2.3 -22.2 -20.2 287 287 A A H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.900 112.7 46.7 -64.1 -41.6 -1.2 -21.6 -18.9 288 288 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.883 111.9 50.3 -68.2 -39.8 0.2 -20.7 -15.5 289 289 A V H X S+ 0 0 25 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.920 113.6 45.7 -64.6 -43.0 2.9 -18.5 -16.9 290 290 A Q H X S+ 0 0 80 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.878 112.0 51.9 -67.9 -37.6 0.3 -16.6 -19.0 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 111.3 46.0 -63.8 -46.4 -2.1 -16.4 -16.0 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.5 0.851 111.5 54.3 -64.3 -34.4 0.7 -14.9 -13.8 293 293 A T H X5S+ 0 0 34 -4,-1.9 4,-1.9 3,-0.2 -2,-0.2 0.926 109.3 46.0 -65.2 -45.9 1.5 -12.6 -16.7 294 294 A D H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.928 120.8 39.9 -61.3 -46.6 -2.0 -11.3 -17.0 295 295 A L H <5S+ 0 0 61 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.827 135.9 10.0 -74.3 -36.3 -2.3 -10.8 -13.3 296 296 A Y H <5S- 0 0 69 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.507 108.0 -93.1-127.0 -6.7 1.1 -9.4 -12.3 297 297 A G ><< - 0 0 28 -4,-1.9 3,-1.7 -5,-0.5 6,-0.4 0.111 33.7 -91.6 102.9 143.0 3.0 -8.6 -15.5 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.723 126.0 46.6 -60.8 -23.8 5.5 -10.4 -17.7 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.326 89.6 122.6-101.1 6.9 8.5 -9.1 -15.7 300 300 A S S <> S- 0 0 14 -3,-1.7 4,-1.7 1,-0.1 5,-0.1 -0.165 73.4-122.0 -68.7 161.0 6.9 -9.8 -12.3 301 301 A Q H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.852 113.2 63.3 -67.6 -34.4 8.4 -12.0 -9.5 302 302 A E H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 103.8 44.3 -56.4 -49.1 5.3 -14.0 -9.8 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-1.9 -11,-0.2 -1,-0.2 0.912 113.2 51.5 -63.7 -42.3 6.0 -15.0 -13.4 304 304 A A H X S+ 0 0 38 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.883 110.0 50.0 -62.0 -38.9 9.6 -15.8 -12.6 305 305 A S H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.887 106.6 53.8 -67.6 -40.8 8.6 -18.0 -9.6 306 306 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.917 111.1 47.7 -59.9 -41.9 6.1 -20.0 -11.7 307 307 A K H X S+ 0 0 91 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 111.9 48.3 -65.5 -44.1 8.9 -20.7 -14.2 308 308 A Q H X S+ 0 0 55 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.920 109.4 54.4 -61.7 -44.8 11.3 -21.7 -11.4 309 309 A A H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.934 112.2 41.5 -55.6 -52.1 8.7 -24.0 -9.9 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 -1,-0.2 0.862 112.5 55.2 -66.8 -34.4 8.1 -25.9 -13.1 311 311 A D H ><5S+ 0 0 55 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.934 104.6 55.6 -61.0 -44.2 11.8 -26.0 -13.8 312 312 A A H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 110.2 43.5 -58.6 -34.0 12.3 -27.6 -10.4 313 313 A V T 3<5S- 0 0 0 -4,-1.2 -96,-3.2 -3,-0.2 -1,-0.3 0.305 119.4-109.3 -96.1 10.0 9.9 -30.4 -11.2 314 314 A G T < 5S+ 0 0 14 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.715 70.4 140.5 73.6 23.8 11.3 -30.9 -14.7 315 315 A V < 0 0 4 -5,-2.9 -1,-0.2 1,-0.2 -2,-0.1 -0.888 360.0 360.0-104.6 117.3 8.4 -29.6 -16.6 316 316 A K 0 0 149 -2,-0.6 -1,-0.2 -5,-0.1 -5,-0.1 0.738 360.0 360.0-104.9 360.0 9.3 -27.4 -19.7