==== 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 18-DEC-08 3FLF . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,BIELA A.,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 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 1 1 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 96 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 148.7 -38.0 28.6 0.3 2 2 A T + 0 0 131 21,-0.1 2,-0.3 23,-0.0 21,-0.0 -0.729 360.0 100.6 -84.7 128.9 -40.3 25.7 -0.4 3 3 A G - 0 0 43 -2,-0.5 2,-0.4 22,-0.0 22,-0.2 -0.954 69.2 -62.9-177.1-163.1 -39.9 24.3 -3.9 4 4 A T E -A 24 0A 87 20,-2.1 20,-3.1 -2,-0.3 2,-0.2 -0.902 50.2-109.3-113.4 140.5 -38.4 21.8 -6.2 5 5 A S E +A 23 0A 68 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.424 46.1 168.5 -69.8 134.9 -34.7 21.3 -6.8 6 6 A T E -A 22 0A 32 16,-2.5 16,-1.9 -2,-0.2 2,-0.5 -0.772 32.2-119.4-134.2 176.0 -33.5 22.4 -10.2 7 7 A V E -A 21 0A 87 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.976 26.9-174.1-126.8 120.7 -30.3 23.0 -12.1 8 8 A G E -A 20 0A 1 12,-3.4 12,-2.3 -2,-0.5 2,-0.3 -0.514 10.9-144.7 -99.2 173.4 -29.5 26.4 -13.5 9 9 A V E +Ab 19 61A 22 51,-1.7 53,-3.1 10,-0.2 2,-0.3 -0.991 31.2 130.4-137.6 146.6 -26.6 27.5 -15.7 10 10 A G E -Ab 18 62A 0 8,-1.9 8,-2.1 -2,-0.3 2,-0.4 -0.865 47.7 -81.5-164.2-157.7 -24.6 30.7 -15.9 11 11 A R E -A 17 0A 98 51,-1.8 6,-0.3 6,-0.3 60,-0.2 -0.991 32.7-142.3-128.4 130.8 -21.2 32.5 -15.9 12 12 A G > - 0 0 3 4,-3.1 3,-1.6 -2,-0.4 56,-0.2 -0.067 42.0 -80.2 -83.4-168.9 -19.0 33.3 -13.0 13 13 A V T 3 S+ 0 0 29 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.814 128.9 48.7 -63.6 -33.2 -16.8 36.4 -12.4 14 14 A L T 3 S- 0 0 89 121,-0.1 -1,-0.3 54,-0.1 -2,-0.0 0.302 123.6 -99.4 -91.9 7.4 -14.0 35.1 -14.6 15 15 A G S < S+ 0 0 35 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.413 75.2 144.3 89.3 3.5 -16.3 34.3 -17.5 16 16 A D - 0 0 56 -5,-0.1 -4,-3.1 1,-0.1 2,-0.3 -0.554 45.7-132.6 -79.5 133.9 -16.5 30.5 -16.8 17 17 A Q E +A 11 0A 123 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.3 -0.638 35.1 164.8 -82.5 138.0 -19.8 28.7 -17.4 18 18 A K E -A 10 0A 16 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.3 -0.997 37.3-112.4-153.3 153.8 -21.0 26.4 -14.7 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.646 33.5-164.6 -78.6 142.9 -24.1 24.5 -13.5 20 20 A I E -A 8 0A 2 -12,-2.3 -12,-3.4 -2,-0.3 2,-0.6 -0.994 21.8-119.5-133.5 142.6 -25.7 25.7 -10.2 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.684 43.4 168.5 -80.7 117.4 -28.2 24.1 -7.9 22 22 A T E -A 6 0A 1 -16,-1.9 -16,-2.5 -2,-0.6 2,-0.4 -0.612 29.8-126.3-121.0 179.4 -31.4 26.2 -7.6 23 23 A T E -AC 5 29A 0 6,-1.9 6,-2.9 -18,-0.2 2,-0.6 -0.997 19.1-139.5-131.6 133.4 -34.9 25.9 -6.3 24 24 A Y E +AC 4 28A 91 -20,-3.1 -20,-2.1 -2,-0.4 4,-0.2 -0.855 41.4 136.7-108.4 128.7 -38.0 26.5 -8.2 25 25 A S S S- 0 0 45 2,-2.4 2,-2.3 -2,-0.6 -23,-0.0 -0.599 94.7 -50.4-163.6 82.2 -41.1 28.3 -6.8 26 26 A T S S+ 0 0 112 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.313 139.6 38.5 68.9 -51.2 -42.5 30.8 -9.3 27 27 A Y S S- 0 0 112 -2,-2.3 -2,-2.4 -4,-0.1 2,-0.6 -0.775 95.0-109.6-109.1 164.7 -38.9 32.1 -9.6 28 28 A Y E -CD 24 57A 56 29,-3.4 29,-2.1 -2,-0.3 2,-0.3 -0.879 39.9-158.9 -93.9 120.5 -35.6 30.1 -9.6 29 29 A Y E -CD 23 56A 45 -6,-2.9 2,-2.0 -2,-0.6 -6,-1.9 -0.735 27.1-115.1 -98.5 148.3 -33.8 30.9 -6.3 30 30 A L S S+ 0 0 0 25,-2.3 11,-2.4 11,-0.4 2,-0.4 -0.598 72.3 128.6 -78.9 80.9 -30.2 30.5 -5.5 31 31 A Q E -E 40 0B 8 -2,-2.0 2,-0.7 9,-0.2 9,-0.2 -0.943 45.9-157.3-140.4 110.7 -30.9 27.8 -3.0 32 32 A D E +E 39 0B 2 7,-2.9 7,-1.5 -2,-0.4 3,-0.4 -0.834 12.8 178.1 -93.0 115.2 -29.0 24.5 -3.3 33 33 A N + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.446 66.9 81.1 -94.5 -0.1 -30.9 21.7 -1.6 34 34 A T S S+ 0 0 84 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.565 86.3 59.9 -83.2 -8.2 -28.4 19.0 -2.5 35 35 A R S > S- 0 0 49 -3,-0.4 3,-2.3 4,-0.1 -1,-0.1 -0.968 112.0 -58.2-128.5 120.9 -26.0 19.9 0.4 36 36 A G T 3 S- 0 0 29 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.141 113.6 -23.1 51.0-135.0 -26.8 19.7 4.1 37 37 A N T 3 S- 0 0 112 60,-0.9 -1,-0.3 1,-0.3 62,-0.1 0.036 118.1 -75.5 -98.5 31.4 -29.7 22.0 5.0 38 38 A G < - 0 0 2 -3,-2.3 62,-2.2 61,-0.1 2,-0.4 0.021 31.7-111.2 106.5 154.1 -29.1 24.1 2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.9 60,-0.2 2,-0.4 -1.000 34.9-168.0-123.2 123.8 -26.8 26.8 0.5 40 40 A F E -Ef 31 101B 19 60,-3.0 62,-2.3 -2,-0.4 2,-0.4 -0.968 7.4-164.4-122.6 124.6 -28.5 30.2 0.1 41 41 A T E - f 0 102B 0 -11,-2.4 14,-3.0 -2,-0.4 -11,-0.4 -0.929 11.6-163.9-117.7 134.6 -27.2 33.2 -1.9 42 42 A Y E -Gf 54 103B 25 60,-3.0 62,-2.4 -2,-0.4 2,-0.6 -0.809 19.9-128.8-118.3 151.0 -28.6 36.7 -1.4 43 43 A D E -Gf 53 104B 20 10,-2.9 10,-1.7 -2,-0.3 62,-0.2 -0.891 15.6-176.5 -97.8 114.7 -28.5 40.0 -3.2 44 44 A A > - 0 0 5 60,-2.5 3,-1.9 -2,-0.6 5,-0.3 0.593 32.6-141.1 -88.6 -4.6 -27.5 42.9 -1.0 45 45 A K T 3 - 0 0 109 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.755 61.5 -56.9 54.9 40.2 -28.2 45.2 -4.0 46 46 A Y T 3 S+ 0 0 106 59,-2.5 -1,-0.3 1,-0.3 60,-0.2 0.408 117.1 103.2 69.3 8.8 -25.2 47.5 -3.3 47 47 A R S < S- 0 0 176 -3,-1.9 60,-2.4 58,-0.2 -1,-0.3 -0.400 74.1-123.5-104.6-173.5 -26.4 48.3 0.3 48 48 A T S S+ 0 0 79 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.278 70.1 111.1-120.5 8.1 -25.2 47.1 3.7 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.728 70.2-100.8 -83.6 132.9 -28.4 45.6 5.2 50 50 A L S S- 0 0 54 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.886 80.7 -2.3-124.0 151.2 -28.0 41.9 5.5 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.987 80.3-171.0 -82.3 -10.3 -28.7 39.4 4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.795 47.7 -21.3 95.9-146.1 -30.8 41.1 1.7 53 53 A S E -G 43 0B 52 -10,-1.7 -10,-2.9 -2,-0.3 -8,-0.1 -0.891 65.9-107.7-110.1 132.7 -33.1 39.2 -0.7 54 54 A L E -G 42 0B 28 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.361 55.3 -95.2 -51.5 127.6 -32.7 35.5 -1.6 55 55 A W - 0 0 10 -14,-3.0 -25,-2.3 -25,-0.3 2,-0.4 -0.371 49.5-170.4 -61.1 120.2 -31.5 35.6 -5.2 56 56 A A E +D 29 0A 47 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.914 8.2 178.2-115.9 130.4 -34.5 35.3 -7.5 57 57 A D E -D 28 0A 22 -29,-2.1 -29,-3.4 -2,-0.4 3,-0.1 -0.993 25.8-142.0-138.7 140.3 -34.3 34.7 -11.3 58 58 A A S S+ 0 0 73 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.839 94.8 20.9 -74.7 -32.5 -37.0 34.3 -13.8 59 59 A D S S- 0 0 93 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.331 95.9-113.2-124.7 8.8 -35.5 31.7 -16.2 60 60 A N S S+ 0 0 12 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.644 80.7 120.0 69.0 13.5 -32.8 29.8 -14.3 61 61 A Q E -b 9 0A 78 -53,-0.2 -2,-0.3 -33,-0.0 2,-0.3 -0.961 41.8-173.3-110.2 124.3 -30.1 31.3 -16.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-1.8 -2,-0.5 9,-0.1 -0.438 40.6 121.6-120.1 59.5 -27.5 33.4 -14.9 63 63 A F + 0 0 77 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.370 40.2 110.5-101.8 3.6 -25.4 35.0 -17.7 64 64 A A S >> S- 0 0 52 -3,-0.2 3,-1.4 1,-0.1 4,-1.0 -0.460 76.8-121.6 -76.5 152.3 -25.9 38.7 -16.9 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.889 115.7 57.4 -61.0 -32.6 -22.9 40.6 -15.6 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.742 104.2 54.1 -67.6 -20.8 -25.0 41.3 -12.5 67 67 A D G X> S+ 0 0 17 -3,-1.4 4,-2.3 1,-0.2 3,-0.5 0.703 84.7 85.9 -83.9 -23.1 -25.4 37.6 -11.9 68 68 A A H S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.880 112.8 49.5 -59.4 -36.9 -20.8 37.2 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.5 4,-2.7 -4,-0.3 5,-0.3 0.922 107.7 54.8 -66.5 -45.7 -23.8 35.3 -7.1 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -60,-0.2 5,-0.2 0.946 113.6 40.5 -51.8 -50.4 -23.0 32.4 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.4 0.917 113.7 52.2 -72.8 -37.6 -19.5 32.1 -8.0 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.932 115.7 42.6 -57.4 -43.3 -20.5 32.7 -4.3 74 74 A H H X S+ 0 0 3 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.918 119.1 42.8 -69.8 -47.5 -23.1 29.9 -4.6 75 75 A Y H X S+ 0 0 97 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.932 114.7 47.4 -69.6 -45.3 -21.0 27.5 -6.5 76 76 A Y H X S+ 0 0 24 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.831 107.0 58.3 -72.2 -26.6 -17.7 27.9 -4.5 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.4 -1,-0.2 0.923 107.5 48.8 -61.2 -39.9 -19.7 27.6 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.917 109.6 50.4 -66.2 -39.9 -20.8 24.2 -2.7 79 79 A V H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.917 112.0 48.2 -62.8 -39.1 -17.2 23.3 -3.5 80 80 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.927 109.2 52.7 -68.6 -42.9 -16.1 24.3 -0.0 81 81 A Y H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 11,-0.2 0.938 109.1 50.9 -49.6 -54.2 -19.0 22.2 1.5 82 82 A D H X>S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 5,-0.5 0.860 107.2 54.1 -55.9 -38.2 -17.8 19.2 -0.5 83 83 A Y H X>S+ 0 0 10 -4,-1.8 4,-2.5 1,-0.2 5,-0.8 0.970 110.6 44.1 -63.8 -49.8 -14.2 19.6 0.7 84 84 A Y H X5S+ 0 0 5 -4,-2.2 6,-2.8 3,-0.2 4,-1.3 0.915 120.4 41.0 -65.3 -37.8 -15.1 19.6 4.4 85 85 A K H X5S+ 0 0 90 -4,-2.4 4,-1.0 4,-0.3 -2,-0.2 0.983 122.2 37.1 -72.4 -54.9 -17.5 16.7 4.0 86 86 A N H <5S+ 0 0 99 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.847 129.2 32.6 -66.4 -37.3 -15.6 14.5 1.6 87 87 A V H < - 0 0 56 -2,-0.5 6,-2.4 4,-0.3 4,-0.7 -0.771 63.4 -45.7 -95.4 104.6 -21.0 18.5 7.7 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.9 -11,-0.2 7,-0.1 0.050 91.9 -56.2 58.5-175.4 -21.1 22.3 7.1 93 93 A Y T 34 S+ 0 0 20 5,-0.3 -1,-0.2 1,-0.3 58,-0.1 0.840 138.7 45.2 -70.6 -28.5 -19.4 24.8 9.3 94 94 A D T 34 S- 0 0 45 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.525 108.6-118.4 -94.2 -1.3 -21.1 23.7 12.5 95 95 A G S << S+ 0 0 31 -3,-0.9 -4,-0.3 -4,-0.7 -3,-0.2 0.444 102.9 77.4 84.6 -8.6 -20.7 20.0 11.9 96 96 A N S S- 0 0 128 -5,-0.1 -4,-0.2 -6,-0.1 -3,-0.1 -0.011 114.6 -96.0-129.0 31.2 -24.4 19.5 11.8 97 97 A N - 0 0 33 -6,-2.4 -60,-0.9 1,-0.1 -5,-0.2 0.858 52.9-173.1 61.7 39.4 -25.2 20.8 8.3 98 98 A A - 0 0 21 -7,-0.5 -5,-0.3 1,-0.1 -61,-0.2 -0.311 37.7 -93.2 -55.0 145.4 -26.2 24.4 9.3 99 99 A A - 0 0 16 -62,-0.1 2,-0.6 -63,-0.1 -60,-0.2 -0.385 39.0-137.0 -59.4 140.8 -27.6 26.3 6.3 100 100 A I E -f 39 0B 1 -62,-2.2 -60,-3.0 -3,-0.1 2,-0.4 -0.897 22.8-170.8-106.5 122.4 -24.8 28.2 4.6 101 101 A R E +f 40 0B 88 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.936 8.4 179.1-121.3 141.6 -25.7 31.8 3.5 102 102 A S E -fh 41 120B 0 -62,-2.3 -60,-3.0 -2,-0.4 2,-0.4 -0.993 11.4-157.8-133.4 138.3 -23.8 34.3 1.4 103 103 A S E -fh 42 121B 0 17,-2.0 19,-2.3 -2,-0.3 3,-0.2 -0.973 12.8-171.1-115.0 137.8 -24.6 37.8 0.3 104 104 A V E +f 43 0B 1 -62,-2.4 -60,-2.5 -2,-0.4 -59,-0.3 -0.657 62.9 44.7-118.1 178.0 -23.1 39.5 -2.8 105 105 A H E S+ 0 0 8 17,-0.3 -59,-2.5 -2,-0.2 2,-0.4 0.892 76.5 177.4 50.8 42.0 -23.1 43.0 -4.2 106 106 A Y E - h 0 123B 32 16,-2.0 18,-0.5 -3,-0.2 4,-0.4 -0.663 48.4 -33.7 -78.2 128.0 -22.5 44.2 -0.7 107 107 A S S S- 0 0 29 -60,-2.4 2,-0.4 -2,-0.4 17,-0.1 -0.063 93.9 -59.9 59.1-160.6 -22.1 48.0 -0.4 108 108 A Q S S- 0 0 158 1,-0.1 3,-0.2 15,-0.1 18,-0.1 -0.980 109.9 -12.4-123.3 129.4 -20.5 50.0 -3.3 109 109 A G S S+ 0 0 36 -2,-0.4 2,-0.6 16,-0.4 17,-0.3 0.801 84.7 177.9 57.6 29.9 -16.9 49.5 -4.5 110 110 A Y - 0 0 76 -4,-0.4 15,-1.7 15,-0.4 2,-1.5 -0.520 20.7-159.9 -80.2 113.3 -16.3 47.3 -1.4 111 111 A N + 0 0 53 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.1 -0.344 61.9 50.7 -88.7 56.7 -12.8 45.9 -1.5 112 112 A N - 0 0 90 -2,-1.5 11,-2.4 2,-0.0 2,-0.3 -0.989 57.7-144.9-170.4 176.5 -13.3 43.0 0.9 113 113 A A E +I 122 0B 4 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.950 25.6 166.1-148.0 155.9 -15.2 40.0 2.0 114 114 A F E -I 121 0B 55 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.988 40.1-110.1-164.0 170.2 -16.0 38.6 5.5 115 115 A W E -I 120 0B 27 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.970 25.5-162.5-106.1 120.7 -18.0 36.4 7.8 116 116 A N - 0 0 68 3,-2.4 4,-0.1 -2,-0.5 -1,-0.1 0.242 57.0 -86.3 -94.4 14.7 -20.3 38.5 10.0 117 117 A G S S+ 0 0 44 2,-0.3 3,-0.1 1,-0.0 -2,-0.0 0.148 124.6 34.7 104.0 -22.0 -20.9 35.9 12.6 118 118 A S S S+ 0 0 83 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.479 120.0 10.7-140.6 -15.3 -23.8 34.3 10.7 119 119 A Q S S- 0 0 12 -19,-0.1 -3,-2.4 24,-0.0 -1,-0.4 -0.977 73.1 -94.4-164.3 161.3 -23.1 34.5 7.0 120 120 A M E -hI 102 115B 0 -19,-2.7 -17,-2.0 -2,-0.3 2,-0.4 -0.559 33.8-160.8 -84.1 150.0 -20.5 35.3 4.3 121 121 A V E -hI 103 114B 0 -7,-2.5 -7,-2.2 -19,-0.2 2,-0.5 -0.995 6.1-171.9-138.4 128.6 -20.3 38.7 2.7 122 122 A Y E - I 0 113B 1 -19,-2.3 -16,-2.0 -2,-0.4 -17,-0.3 -0.957 8.9-154.2-128.2 124.0 -18.7 39.7 -0.6 123 123 A G E -h 106 0B 1 -11,-2.4 10,-1.6 -2,-0.5 11,-0.4 -0.374 24.0-125.3 -79.7 172.0 -18.1 43.2 -2.0 124 124 A D - 0 0 23 -18,-0.5 3,-0.3 8,-0.2 -13,-0.1 0.516 45.8-127.0 -88.0 -9.6 -17.8 43.8 -5.7 125 125 A G - 0 0 7 -15,-1.7 -15,-0.4 -13,-0.2 -16,-0.4 0.018 27.3 -87.5 75.1 163.4 -14.5 45.5 -5.4 126 126 A D - 0 0 73 -17,-0.3 -1,-0.2 5,-0.1 5,-0.1 0.336 57.3-111.2 -91.6 8.3 -13.9 49.0 -6.9 127 127 A G S S+ 0 0 34 3,-2.4 4,-0.1 -3,-0.3 -2,-0.1 0.234 109.3 58.4 84.8 -16.2 -12.9 47.4 -10.3 128 128 A Q S S+ 0 0 146 2,-0.2 68,-0.5 67,-0.1 -1,-0.1 0.773 115.2 24.9-110.4 -56.4 -9.3 48.5 -9.8 129 129 A T S S+ 0 0 54 1,-0.2 65,-3.0 65,-0.2 2,-0.3 0.863 136.9 7.9 -73.9 -33.4 -8.0 47.0 -6.6 130 130 A F B -J 193 0C 15 63,-0.3 -3,-2.4 64,-0.1 -1,-0.2 -0.988 53.7-149.2-146.5 152.0 -10.6 44.2 -6.9 131 131 A I S S- 0 0 39 61,-1.8 -5,-0.1 -2,-0.3 4,-0.1 -0.581 74.9 -46.0-101.9 169.6 -13.2 42.6 -9.1 132 132 A P > - 0 0 29 0, 0.0 3,-2.1 0, 0.0 -8,-0.2 -0.176 60.6-139.3 -49.4 123.0 -16.2 40.8 -7.2 133 133 A L G > S+ 0 0 4 -10,-1.6 3,-1.9 1,-0.3 7,-0.2 0.723 92.7 71.6 -69.3 -23.4 -14.4 38.9 -4.5 134 134 A S G 3 S+ 0 0 1 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.2 0.604 78.7 81.7 -67.7 -7.2 -16.5 35.7 -4.7 135 135 A G G < S+ 0 0 0 -3,-2.1 2,-0.7 -122,-0.1 -1,-0.3 0.656 78.9 80.6 -68.9 -11.0 -14.8 35.1 -8.0 136 136 A G <> - 0 0 0 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.819 65.2-162.2 -99.1 114.1 -11.9 33.7 -6.0 137 137 A I H > S+ 0 0 10 -2,-0.7 4,-2.7 1,-0.2 5,-0.3 0.925 95.0 53.0 -63.0 -35.4 -12.4 30.1 -4.7 138 138 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 108.8 50.7 -64.3 -37.9 -9.7 30.6 -2.1 139 139 A V H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.944 110.6 48.2 -63.8 -45.3 -11.5 33.7 -0.9 140 140 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.947 114.3 45.0 -63.3 -45.7 -14.8 31.9 -0.6 141 141 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.872 109.3 57.8 -66.7 -31.5 -13.2 29.0 1.3 142 142 A H H X S+ 0 0 8 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.948 110.2 43.9 -58.2 -46.7 -11.3 31.5 3.5 143 143 A E H >X S+ 0 0 13 -4,-2.2 4,-1.1 2,-0.2 3,-0.8 0.954 114.0 47.1 -65.7 -51.6 -14.6 33.0 4.5 144 144 A L H >X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.3 3,-0.8 0.906 108.4 58.3 -58.6 -38.3 -16.5 29.8 5.1 145 145 A T H 3X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.3 0.844 94.9 63.3 -61.1 -31.6 -13.5 28.6 7.1 146 146 A H H <>S+ 0 0 0 -4,-2.6 5,-3.3 1,-0.2 3,-1.2 0.932 109.1 52.6 -63.4 -46.0 -13.1 28.2 13.2 150 150 A D H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.4 45.6 -61.9 -36.2 -15.7 30.2 15.2 151 151 A Y H 3<5S+ 0 0 129 -4,-2.3 -1,-0.3 -58,-0.1 -2,-0.2 0.562 127.1 27.2 -80.3 -9.1 -17.7 27.0 15.8 152 152 A T T <<5S+ 0 0 41 -3,-1.2 -3,-0.2 -4,-0.6 120,-0.1 0.537 134.1 5.5-118.3 -95.4 -14.5 25.1 16.8 153 153 A A T 5S- 0 0 5 118,-0.3 -3,-0.2 -5,-0.2 3,-0.1 0.859 78.7-148.8 -64.6 -31.6 -11.4 26.5 18.3 154 154 A G < - 0 0 23 -5,-3.3 -4,-0.2 1,-0.2 -1,-0.1 0.788 15.9-161.3 70.8 23.9 -13.0 29.9 18.5 155 155 A L - 0 0 4 -6,-0.2 -1,-0.2 1,-0.1 123,-0.2 -0.113 21.3-118.0 -45.0 117.1 -9.7 31.7 18.0 156 156 A I - 0 0 75 121,-2.3 2,-1.9 -3,-0.1 9,-0.3 -0.381 25.2-115.7 -63.2 141.9 -10.2 35.3 19.2 157 157 A Y S S+ 0 0 85 5,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.274 81.5 73.2 -83.7 53.5 -9.7 37.7 16.3 158 158 A Q S > S- 0 0 98 -2,-1.9 4,-1.8 70,-0.1 3,-0.4 -0.986 87.8 -12.9-159.3 154.7 -6.6 39.6 17.6 159 159 A N H > S- 0 0 84 68,-2.5 4,-2.0 -2,-0.3 5,-0.2 -0.181 120.3 -16.1 52.7-143.7 -2.8 39.3 18.1 160 160 A E H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 140.8 49.1 -66.6 -43.8 -1.4 35.8 17.8 161 161 A S H > S+ 0 0 13 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.878 112.7 51.7 -62.2 -31.3 -4.7 33.8 18.1 162 162 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.860 106.9 50.9 -70.5 -36.3 -6.0 36.2 15.5 163 163 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.867 111.3 50.0 -66.7 -32.9 -3.1 35.5 13.1 164 164 A I H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.938 107.6 52.9 -67.5 -45.2 -3.7 31.8 13.6 165 165 A N H X S+ 0 0 2 -4,-2.4 4,-1.8 -9,-0.3 -2,-0.2 0.933 113.6 44.5 -51.3 -49.1 -7.4 32.3 12.8 166 166 A E H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 112.1 50.5 -63.5 -46.4 -6.3 34.1 9.6 167 167 A A H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.928 107.4 55.2 -62.3 -41.7 -3.7 31.5 8.7 168 168 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.930 109.0 47.4 -53.7 -47.0 -6.2 28.7 9.2 169 169 A S H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.838 113.9 47.2 -66.2 -32.3 -8.6 30.4 6.7 170 170 A D H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.912 111.7 51.1 -74.3 -39.0 -5.7 30.9 4.2 171 171 A I H X S+ 0 0 0 -4,-3.4 4,-2.9 -5,-0.2 -2,-0.2 0.956 117.0 37.3 -63.6 -48.6 -4.5 27.3 4.6 172 172 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.855 112.5 58.3 -77.6 -26.4 -7.9 25.8 4.0 173 173 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.949 112.4 42.8 -60.9 -40.5 -8.8 28.4 1.4 174 174 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.932 111.3 52.9 -70.3 -44.5 -5.7 27.1 -0.4 175 175 A L H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.888 110.2 49.5 -60.2 -35.1 -6.4 23.5 0.2 176 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.915 106.9 54.8 -70.3 -40.6 -9.9 24.0 -1.3 177 177 A E H X>S+ 0 0 1 -4,-2.0 4,-1.6 -5,-0.2 5,-0.9 0.907 111.1 44.9 -55.9 -42.6 -8.4 25.7 -4.3 178 178 A F H <5S+ 0 0 29 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.909 109.2 57.6 -67.8 -40.7 -6.2 22.7 -4.9 179 179 A Y H <5S+ 0 0 91 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.903 110.0 42.2 -55.2 -44.0 -9.2 20.4 -4.3 180 180 A A H <5S- 0 0 44 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.826 101.3-154.6 -74.5 -25.8 -11.1 22.1 -7.1 181 181 A N T <5 + 0 0 116 -4,-1.6 2,-0.5 -5,-0.3 -3,-0.2 0.893 42.4 138.1 57.8 46.8 -7.8 22.0 -9.0 182 182 A K S > S+ 0 0 0 -2,-0.5 3,-1.6 12,-0.2 4,-1.6 0.575 77.4 140.8 79.2 8.4 -6.9 36.1 -3.9 190 190 A E T 34 + 0 0 34 1,-0.3 10,-0.1 2,-0.2 9,-0.1 0.801 66.0 61.1 -58.3 -27.1 -4.9 36.2 -7.1 191 191 A D T 34 S+ 0 0 48 1,-0.2 -1,-0.3 -58,-0.1 10,-0.0 0.782 118.2 24.9 -74.4 -20.0 -8.0 35.5 -9.2 192 192 A V T <4 S+ 0 0 2 -3,-1.6 -61,-1.8 -59,-0.1 2,-0.4 0.486 97.2 103.2-122.0 -2.2 -9.8 38.7 -8.1 193 193 A Y B < S-J 130 0C 67 -4,-1.6 -63,-0.3 1,-0.2 4,-0.2 -0.694 91.8 -16.0 -90.4 135.4 -7.0 41.1 -7.1 194 194 A T > - 0 0 14 -65,-3.0 3,-2.5 -2,-0.4 -1,-0.2 0.905 60.1-157.2 37.9 82.4 -5.9 43.9 -9.3 195 195 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -66,-0.1 0.777 91.1 54.9 -53.6 -27.9 -7.4 43.1 -12.7 196 196 A G T 3 S+ 0 0 69 -68,-0.5 2,-0.5 1,-0.1 -2,-0.1 0.522 99.9 67.4 -89.5 -0.6 -4.8 45.3 -14.3 197 197 A I X - 0 0 89 -3,-2.5 3,-0.7 -4,-0.2 2,-0.1 -0.929 68.9-152.4-127.1 115.8 -1.8 43.6 -12.8 198 198 A S T 3 S+ 0 0 128 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.478 73.7 20.3 -79.2 151.9 -0.7 40.0 -13.6 199 199 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.486 94.6 106.4 74.3 5.6 1.1 37.8 -11.2 200 200 A D < + 0 0 31 -3,-0.7 2,-0.3 -6,-0.2 -1,-0.2 -0.601 40.2 177.8-108.2 176.4 0.4 39.6 -7.9 201 201 A S - 0 0 1 -2,-0.2 -12,-0.2 1,-0.1 3,-0.1 -0.949 43.7 -98.0-161.5 176.1 -1.9 38.6 -5.0 202 202 A L S S- 0 0 46 -14,-2.2 2,-0.3 -2,-0.3 -13,-0.1 0.898 102.2 -8.5 -65.1 -50.1 -3.2 39.6 -1.5 203 203 A R E -K 188 0D 25 -15,-0.8 -15,-2.6 -3,-0.1 2,-0.5 -0.973 58.7-140.2-146.5 158.1 -0.8 37.3 0.2 204 204 A S E -K 187 0D 1 -2,-0.3 -17,-0.2 -17,-0.2 7,-0.1 -0.985 4.7-168.8-124.1 127.9 1.7 34.5 -0.5 205 205 A M S S+ 0 0 0 -19,-3.1 37,-0.3 -2,-0.5 -18,-0.1 0.816 91.7 51.1 -78.8 -29.0 2.0 31.5 1.7 206 206 A S S S+ 0 0 32 -20,-0.7 -1,-0.2 1,-0.2 -19,-0.1 0.804 133.0 9.3 -83.1 -27.5 5.2 30.3 0.1 207 207 A D > + 0 0 68 -21,-0.2 3,-2.3 1,-0.1 4,-0.4 -0.479 65.7 175.3-150.2 75.1 6.9 33.7 0.4 208 208 A P G > >S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 3,-1.3 0.753 76.5 70.6 -50.6 -28.6 4.9 36.1 2.6 209 209 A A G > 5S+ 0 0 51 1,-0.3 3,-2.3 3,-0.2 6,-0.0 0.776 79.6 77.4 -62.5 -27.7 7.7 38.7 2.4 210 210 A K G < 5S+ 0 0 120 -3,-2.3 -1,-0.3 1,-0.3 -7,-0.0 0.853 106.9 30.9 -51.2 -38.1 6.8 39.2 -1.3 211 211 A Y G < 5S- 0 0 59 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 -0.083 128.6 -91.0-114.8 37.4 3.9 41.3 -0.1 212 212 A G T < 5S+ 0 0 64 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.630 82.3 132.5 71.9 19.5 5.4 42.7 3.1 213 213 A D < - 0 0 21 -5,-2.2 -1,-0.2 -6,-0.1 20,-0.1 -0.764 60.4-102.4-101.9 148.0 4.4 40.0 5.6 214 214 A P - 0 0 10 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.333 25.9-174.7 -69.2 148.1 6.7 38.3 8.1 215 215 A D S S+ 0 0 14 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.093 73.0 49.7-124.4 13.9 8.0 34.8 7.4 216 216 A H S > S- 0 0 42 98,-0.1 3,-1.8 1,-0.1 98,-0.2 -0.985 81.6-122.8-152.2 147.4 9.8 34.5 10.8 217 217 A Y G > S+ 0 0 60 96,-2.4 3,-1.8 -2,-0.3 97,-0.1 0.818 109.5 64.3 -63.8 -30.5 8.7 35.1 14.4 218 218 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.562 101.8 52.8 -70.3 -7.9 11.5 37.6 15.0 219 219 A K G < S+ 0 0 114 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.124 81.0 138.7-109.7 14.0 9.8 39.8 12.3 220 220 A R < - 0 0 98 -3,-1.8 2,-0.3 1,-0.1 9,-0.1 -0.304 53.5-123.4 -65.5 142.2 6.3 39.7 13.9 221 221 A Y + 0 0 61 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.675 29.9 173.9 -82.7 134.3 4.2 42.9 14.0 222 222 A T + 0 0 118 -2,-0.3 -1,-0.1 -63,-0.0 7,-0.1 0.208 42.2 108.5-131.0 17.6 3.1 44.0 17.5 223 223 A G S S- 0 0 28 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.054 80.8-105.2 -74.9-168.3 1.5 47.3 16.8 224 224 A T S >> S+ 0 0 131 4,-0.1 4,-0.7 3,-0.1 3,-0.6 0.585 78.7 114.3-104.4 -10.5 -2.2 47.9 16.9 225 225 A Q H >> S+ 0 0 137 1,-0.2 4,-2.8 2,-0.2 3,-1.2 -0.225 80.9 11.9 -53.8 149.9 -3.1 48.0 13.2 226 226 A D H 3> S- 0 0 56 1,-0.3 4,-3.2 2,-0.2 5,-0.4 0.858 136.9 -56.5 50.5 44.7 -5.2 45.2 11.7 227 227 A N H <4 S- 0 0 87 -3,-0.6 -68,-2.5 1,-0.2 -1,-0.3 0.833 116.3 -35.7 56.4 37.8 -6.2 43.9 15.1 228 228 A G H << S- 0 0 2 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.829 115.4 -59.0 84.7 29.9 -2.6 43.4 16.1 229 229 A G H >X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.1 3,-1.3 0.873 77.0 160.8 72.1 41.2 -1.6 42.4 12.5 230 230 A V T 3< S+ 0 0 0 -4,-3.2 4,-0.4 1,-0.3 -64,-0.1 0.862 81.1 42.6 -69.7 -26.8 -3.8 39.4 12.1 231 231 A H T 34 S+ 0 0 53 -5,-0.4 -1,-0.3 2,-0.1 -4,-0.1 0.445 121.1 44.8 -90.3 -0.0 -3.4 39.6 8.3 232 232 A I T X4 S+ 0 0 36 -3,-1.3 3,-1.7 -6,-0.2 -2,-0.2 0.841 112.7 43.6-103.9 -58.6 0.3 40.3 8.7 233 233 A N T >X S+ 0 0 6 -4,-3.0 3,-1.4 1,-0.3 4,-0.9 0.617 95.3 80.6 -65.7 -15.7 1.5 37.8 11.3 234 234 A S H 3> S+ 0 0 0 -5,-0.5 4,-2.9 -4,-0.4 -1,-0.3 0.783 78.6 72.5 -60.3 -23.1 -0.6 35.1 9.6 235 235 A G H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.834 89.3 58.4 -61.0 -28.7 2.4 34.9 7.2 236 236 A I H <> S+ 0 0 0 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.951 113.2 36.9 -69.4 -43.5 4.5 33.3 9.9 237 237 A I H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.866 113.8 56.9 -74.0 -36.8 2.0 30.4 10.2 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.919 108.4 48.1 -55.4 -46.6 1.2 30.3 6.4 239 239 A K H X S+ 0 0 20 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.927 110.3 50.9 -59.4 -48.1 4.9 29.8 5.7 240 240 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.925 112.6 47.8 -57.4 -42.0 5.2 27.1 8.3 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.926 110.8 49.4 -66.9 -45.6 2.2 25.4 6.6 242 242 A Y H X S+ 0 0 57 -4,-3.3 4,-3.3 -37,-0.3 5,-0.4 0.891 111.9 50.6 -58.1 -40.5 3.6 25.8 3.1 243 243 A L H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.957 105.9 53.6 -65.6 -48.7 6.9 24.2 4.4 244 244 A I H < S+ 0 0 0 -4,-2.5 14,-2.9 -5,-0.2 15,-0.4 0.909 119.9 35.3 -49.8 -43.5 5.2 21.2 6.1 245 245 A S H < S+ 0 0 4 -4,-1.9 14,-2.1 12,-0.3 -2,-0.2 0.957 133.6 21.6 -77.7 -51.3 3.5 20.4 2.8 246 246 A Q H < S- 0 0 87 -4,-3.3 11,-0.3 -5,-0.2 -3,-0.2 0.586 94.1-141.6-101.6 -11.1 6.0 21.4 0.2 247 247 A G < + 0 0 10 -4,-3.2 2,-0.2 -5,-0.4 9,-0.2 -0.047 31.6 151.7 72.6 178.8 9.3 21.3 2.1 248 248 A G E -L 255 0E 35 7,-2.2 7,-3.3 -4,-0.1 2,-0.5 -0.798 47.6 -87.2 147.2 173.1 12.2 23.7 1.6 249 249 A T E -L 254 0E 92 5,-0.3 2,-0.5 -2,-0.2 5,-0.2 -0.970 41.4-179.0-118.0 116.7 15.2 25.4 3.3 250 250 A H E > S-L 253 0E 16 3,-2.7 3,-2.3 -2,-0.5 -2,-0.0 -0.976 71.9 -16.6-123.3 120.7 14.2 28.6 5.1 251 251 A Y T 3 S- 0 0 115 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.910 131.2 -52.6 47.5 47.2 16.8 30.7 6.9 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.444 112.8 121.4 75.6 -2.2 19.0 27.6 6.7 253 253 A V E < -L 250 0E 49 -3,-2.3 -3,-2.7 59,-0.2 2,-0.4 -0.869 53.4-145.3-100.8 126.0 16.5 25.3 8.2 254 254 A S E -L 249 0E 75 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.3 -0.716 12.1-165.4 -95.9 136.6 15.5 22.3 6.0 255 255 A V E -L 248 0E 10 -7,-3.3 -7,-2.2 -2,-0.4 2,-0.7 -0.987 15.8-141.1-124.1 126.8 12.0 20.9 5.9 256 256 A V - 0 0 70 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.743 29.9-130.7 -79.8 112.0 10.9 17.5 4.4 257 257 A G - 0 0 31 -2,-0.7 -12,-0.3 -11,-0.3 -11,-0.2 -0.295 23.0-173.3 -65.0 146.1 7.6 18.1 2.7 258 258 A I - 0 0 24 -14,-2.9 4,-0.4 -15,-0.1 -13,-0.2 0.424 44.7-103.1-119.6 0.6 4.7 15.7 3.5 259 259 A G > - 0 0 27 -14,-2.1 4,-2.3 -15,-0.4 -1,-0.1 0.075 29.2 -83.2 97.6 152.0 2.0 16.9 1.1 260 260 A R H > S+ 0 0 95 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.873 120.3 58.7 -60.4 -41.3 -1.2 18.9 1.2 261 261 A D H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.948 110.6 41.2 -60.3 -48.6 -3.4 16.0 2.3 262 262 A K H > S+ 0 0 76 -4,-0.4 4,-2.9 2,-0.2 5,-0.3 0.902 113.0 55.8 -66.6 -39.6 -1.4 15.4 5.4 263 263 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.945 109.9 45.8 -55.2 -48.2 -1.1 19.1 6.0 264 264 A G H X S+ 0 0 1 -4,-3.3 4,-2.5 2,-0.2 -1,-0.2 0.883 112.6 50.4 -62.6 -38.0 -4.9 19.4 5.9 265 265 A K H X S+ 0 0 89 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.933 113.0 45.5 -66.9 -42.4 -5.4 16.4 8.2 266 266 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.942 117.6 42.2 -68.7 -40.5 -2.9 17.7 10.8 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.868 111.9 54.8 -77.6 -28.9 -4.3 21.2 10.8 268 268 A Y H X S+ 0 0 32 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.935 111.4 45.9 -62.5 -46.5 -7.9 20.1 10.7 269 269 A R H X>S+ 0 0 85 -4,-2.2 4,-1.9 2,-0.2 5,-0.5 0.871 112.1 50.2 -62.7 -42.2 -7.2 18.0 13.8 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-3.2 -5,-0.2 4,-1.7 0.934 111.8 49.9 -61.3 -42.3 -5.4 20.8 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.4 -118,-0.3 1,-0.2 -2,-0.2 0.869 119.9 32.9 -64.8 -40.3 -8.3 23.2 14.8 272 272 A T H <5S+ 0 0 36 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.625 131.0 26.4 -98.4 -11.7 -11.0 20.9 16.1 273 273 A Q H <5S+ 0 0 125 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.642 128.9 20.1-124.4 -18.9 -9.3 19.1 18.9 274 274 A Y T < - 0 0 59 -122,-0.1 3,-1.5 -120,-0.0 -120,-0.1 -0.797 40.1 -92.5-125.6 168.8 -8.6 27.1 22.0 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.3 0, 0.0 -123,-0.1 0.818 125.1 39.9 -54.0 -29.6 -9.8 30.8 21.7 278 278 A T T 3 S+ 0 0 95 -123,-0.2 -117,-0.2 -125,-0.1 -118,-0.1 0.395 80.7 140.4-106.1 9.6 -6.6 32.0 23.2 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.190 34.5-155.9 -54.9 141.8 -3.9 29.8 21.7 280 280 A N > - 0 0 61 -120,-0.1 4,-2.4 -119,-0.1 5,-0.2 -0.470 35.9 -89.2-107.1-178.1 -0.7 31.5 20.7 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.899 128.2 50.2 -60.9 -44.2 1.9 30.4 18.1 282 282 A S H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 111.7 48.8 -61.6 -40.4 3.8 28.3 20.5 283 283 A Q H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.882 108.3 54.7 -69.4 -30.3 0.6 26.6 21.5 284 284 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.917 104.5 54.2 -66.8 -37.6 -0.2 26.1 17.8 285 285 A R H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.952 110.3 46.3 -60.0 -44.4 3.1 24.3 17.4 286 286 A A H X S+ 0 0 60 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.906 111.1 52.1 -64.3 -42.1 2.3 21.9 20.2 287 287 A A H X S+ 0 0 8 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.904 112.1 46.4 -57.8 -41.2 -1.2 21.3 18.9 288 288 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.897 112.5 49.3 -72.1 -38.4 0.2 20.5 15.5 289 289 A V H X S+ 0 0 28 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.939 112.9 47.4 -63.9 -45.2 2.8 18.2 16.9 290 290 A Q H X S+ 0 0 79 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.864 112.5 50.8 -65.1 -30.3 0.2 16.4 19.0 291 291 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.939 110.9 45.7 -73.6 -47.4 -2.1 16.1 16.0 292 292 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.878 113.1 53.0 -58.6 -41.1 0.6 14.6 13.6 293 293 A T H X S+ 0 0 34 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.933 108.6 49.2 -59.9 -49.2 1.6 12.3 16.5 294 294 A D H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.896 120.4 36.6 -53.2 -46.1 -2.1 11.2 16.9 295 295 A L H < S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.824 135.4 15.0 -84.9 -30.4 -2.4 10.5 13.1 296 296 A Y H < S- 0 0 69 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.432 107.5 -97.0-130.5 0.2 1.0 9.2 12.2 297 297 A G >< - 0 0 31 -4,-2.5 3,-2.3 -5,-0.4 6,-0.4 0.330 35.4 -89.1 89.6 140.9 2.9 8.2 15.4 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.658 125.8 48.7 -58.9 -21.1 5.5 10.0 17.5 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.351 87.8 119.2-101.8 6.5 8.4 8.7 15.4 300 300 A S S <> S- 0 0 17 -3,-2.3 4,-1.6 1,-0.1 5,-0.1 -0.214 75.1-120.5 -67.8 160.2 6.9 9.5 12.0 301 301 A Q H > S+ 0 0 84 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.821 112.1 65.6 -59.4 -35.2 8.4 11.8 9.4 302 302 A E H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 103.1 41.8 -57.9 -52.2 5.2 13.8 9.8 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.5 -11,-0.2 -1,-0.2 0.946 115.4 52.7 -62.7 -40.0 5.9 14.8 13.3 304 304 A A H X S+ 0 0 37 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.894 110.0 47.0 -62.7 -41.0 9.5 15.4 12.4 305 305 A S H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.900 108.7 54.4 -70.2 -38.1 8.5 17.7 9.5 306 306 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.949 110.5 47.5 -60.4 -42.4 6.0 19.6 11.6 307 307 A K H X S+ 0 0 89 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.935 110.8 50.7 -62.2 -45.3 8.8 20.3 14.1 308 308 A Q H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.910 109.3 52.9 -56.8 -42.7 11.2 21.3 11.3 309 309 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.925 110.1 44.1 -64.6 -47.1 8.7 23.7 10.0 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-3.0 1,-0.2 3,-0.4 0.912 112.9 53.1 -68.9 -36.0 8.0 25.6 13.2 311 311 A D H ><5S+ 0 0 62 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.2 0.931 104.8 57.1 -55.0 -43.5 11.7 25.7 13.9 312 312 A A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 109.5 42.9 -63.7 -29.1 12.2 27.2 10.5 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-2.4 -3,-0.4 -1,-0.3 0.226 119.3-109.6 -99.6 12.7 9.8 30.1 11.2 314 314 A G T < 5S+ 0 0 25 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.788 70.2 142.7 71.0 27.4 11.3 30.6 14.7 315 315 A V < 0 0 4 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.905 360.0 360.0-107.5 113.2 8.3 29.3 16.6 316 316 A K 0 0 159 -2,-0.7 -31,-0.2 -3,-0.1 -30,-0.1 -0.586 360.0 360.0 -96.9 360.0 9.2 27.3 19.7