==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUL-11 3T73 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.5 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.5 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 . 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 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 83 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 160.7 38.1 -28.5 0.4 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.730 360.0 107.3 -83.3 129.1 40.3 -25.5 -0.4 3 3 A G - 0 0 41 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.949 67.5 -67.2-175.5-169.1 39.9 -24.4 -4.0 4 4 A T E -A 24 0A 89 20,-1.9 20,-2.9 -2,-0.3 2,-0.2 -0.885 48.8-110.4-109.9 138.3 38.4 -21.8 -6.3 5 5 A S E +A 23 0A 69 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.455 45.6 169.5 -68.0 133.3 34.7 -21.3 -6.8 6 6 A T E -A 22 0A 31 16,-2.8 16,-2.3 -2,-0.2 2,-0.5 -0.746 32.0-120.7-135.3 175.3 33.5 -22.4 -10.2 7 7 A V E -A 21 0A 90 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.950 28.0-175.4-129.6 112.8 30.2 -23.0 -12.1 8 8 A G E -A 20 0A 2 12,-2.8 12,-2.3 -2,-0.5 2,-0.3 -0.421 12.8-140.6 -95.9 176.2 29.5 -26.4 -13.6 9 9 A V E +Ab 19 61A 35 51,-1.8 53,-3.2 10,-0.2 2,-0.3 -0.991 31.4 135.4-139.4 145.6 26.6 -27.5 -15.8 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.3 -2,-0.3 2,-0.4 -0.926 44.9 -89.2-165.2-169.2 24.6 -30.7 -15.8 11 11 A R E -A 17 0A 108 51,-2.1 60,-0.3 -2,-0.3 6,-0.2 -0.972 32.1-139.2-125.7 138.3 21.2 -32.4 -16.0 12 12 A G > - 0 0 4 4,-2.5 3,-2.0 -2,-0.4 56,-0.2 -0.165 40.7 -81.8 -83.7-177.7 18.9 -33.4 -13.1 13 13 A V T 3 S+ 0 0 31 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.828 129.3 49.1 -54.6 -37.7 16.8 -36.5 -12.5 14 14 A L T 3 S- 0 0 94 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.347 122.7-102.5 -88.6 7.3 14.0 -35.2 -14.7 15 15 A G S < S+ 0 0 48 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.576 73.8 142.2 86.1 11.2 16.4 -34.3 -17.6 16 16 A D - 0 0 60 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.661 48.5-125.8 -87.8 139.5 16.5 -30.6 -17.0 17 17 A Q E +A 11 0A 128 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.649 37.2 164.1 -84.9 136.6 19.7 -28.6 -17.5 18 18 A K E -A 10 0A 15 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.3 -0.994 35.5-117.8-147.9 155.1 20.9 -26.4 -14.7 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.684 31.2-164.7 -85.7 143.9 24.1 -24.6 -13.5 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-2.8 -2,-0.3 2,-0.5 -0.988 22.8-115.7-133.3 145.1 25.6 -25.7 -10.2 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.656 44.4 169.3 -78.3 122.2 28.2 -24.1 -7.9 22 22 A T E -A 6 0A 1 -16,-2.3 -16,-2.8 -2,-0.5 2,-0.4 -0.680 29.4-127.6-125.5 176.8 31.3 -26.2 -7.7 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.1 -18,-0.2 2,-0.5 -0.998 18.3-143.7-131.9 130.0 34.9 -25.9 -6.4 24 24 A Y E +AC 4 28A 97 -20,-2.9 -20,-1.9 -2,-0.4 4,-0.2 -0.830 39.6 137.0-101.1 124.4 38.0 -26.6 -8.4 25 25 A S S S- 0 0 49 2,-2.9 2,-2.7 -2,-0.5 -2,-0.0 -0.597 95.3 -47.5-158.9 94.4 41.1 -28.2 -6.9 26 26 A T S S+ 0 0 110 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.364 140.6 36.9 67.4 -58.2 42.5 -30.8 -9.3 27 27 A Y S S- 0 0 114 -2,-2.7 -2,-2.9 -4,-0.1 2,-0.6 -0.686 93.3-110.9-106.7 167.5 38.9 -32.1 -9.6 28 28 A Y E -CD 24 57A 57 29,-3.0 29,-1.9 -2,-0.2 2,-0.3 -0.918 40.1-161.4 -98.1 119.8 35.7 -30.2 -9.7 29 29 A Y E -CD 23 56A 48 -6,-3.1 2,-2.1 -2,-0.6 -6,-1.8 -0.739 29.4-113.2-104.8 150.7 33.8 -30.9 -6.5 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.3 11,-0.3 2,-0.4 -0.578 72.1 129.7 -78.7 79.2 30.1 -30.5 -5.6 31 31 A Q E -E 40 0B 10 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.945 44.2-159.5-139.5 111.4 31.0 -27.8 -3.1 32 32 A D E > +E 39 0B 2 7,-2.8 7,-1.3 -2,-0.4 3,-0.5 -0.850 11.7 178.6 -97.7 109.9 29.0 -24.5 -3.3 33 33 A N T 3 + 0 0 56 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.446 66.7 80.9 -90.5 -0.9 30.9 -21.7 -1.6 34 34 A T T 3 S+ 0 0 84 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.545 85.6 62.6 -83.9 -8.4 28.3 -19.0 -2.4 35 35 A R S X S- 0 0 47 -3,-0.5 3,-2.4 4,-0.1 -1,-0.1 -0.958 111.7 -63.5-127.5 114.5 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 -0.161 111.8 -20.7 51.9-134.1 26.9 -19.7 4.1 37 37 A N T 3 S- 0 0 110 60,-1.3 -1,-0.3 1,-0.3 62,-0.2 0.063 119.2 -75.8 -97.3 24.6 29.7 -22.0 5.0 38 38 A G < - 0 0 1 -3,-2.4 62,-2.4 60,-0.1 2,-0.4 0.036 29.3-113.1 109.6 153.5 29.1 -24.2 2.0 39 39 A I E -Ef 32 100B 0 -7,-1.3 -7,-2.8 60,-0.2 2,-0.4 -0.999 35.5-169.7-119.8 125.5 26.8 -26.8 0.5 40 40 A F E -Ef 31 101B 20 60,-3.1 62,-2.1 -2,-0.4 2,-0.4 -0.969 7.6-163.1-124.0 128.8 28.5 -30.1 0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.6 -2,-0.4 -11,-0.3 -0.949 11.8-165.1-119.5 134.3 27.2 -33.1 -1.9 42 42 A Y E -Gf 54 103B 25 60,-3.1 62,-2.4 -2,-0.4 2,-0.6 -0.794 20.3-126.0-120.2 156.4 28.6 -36.6 -1.5 43 43 A D E -Gf 53 104B 21 10,-2.9 10,-1.9 -2,-0.3 62,-0.2 -0.908 14.6-174.1-103.3 115.7 28.5 -40.0 -3.3 44 44 A A > - 0 0 3 60,-2.8 3,-2.2 -2,-0.6 5,-0.3 0.541 30.8-141.4 -85.6 -6.5 27.4 -42.9 -1.1 45 45 A K T 3 - 0 0 110 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.786 61.8 -59.0 56.7 37.0 28.2 -45.3 -4.0 46 46 A Y T 3 S+ 0 0 109 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.503 116.9 106.3 69.7 6.9 25.2 -47.6 -3.3 47 47 A R S < S- 0 0 173 -3,-2.2 60,-2.3 58,-0.3 -1,-0.3 -0.456 73.8-125.3-106.6-177.0 26.4 -48.3 0.2 48 48 A T + 0 0 80 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.288 69.5 112.3-117.3 8.8 25.2 -47.2 3.6 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.692 70.1-100.6 -82.3 133.6 28.3 -45.7 5.1 50 50 A L S S- 0 0 55 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.897 81.7 -4.1-121.8 148.1 27.9 -41.9 5.4 51 51 A P S S- 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.995 80.9-167.9 -81.7 -12.3 28.6 -39.4 4.1 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.738 47.8 -24.4 94.2-150.7 30.7 -41.2 1.6 53 53 A S E -G 43 0B 43 -10,-1.9 -10,-2.9 -2,-0.3 -8,-0.1 -0.816 66.9-104.5-108.0 140.1 33.1 -39.2 -0.7 54 54 A L E -G 42 0B 32 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.367 54.9 -97.5 -57.8 131.6 32.8 -35.6 -1.6 55 55 A W - 0 0 9 -14,-2.6 -25,-1.9 -25,-0.3 2,-0.4 -0.349 48.3-171.4 -65.9 121.2 31.5 -35.7 -5.2 56 56 A A E -D 29 0A 46 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.914 7.9-178.9-117.6 138.8 34.4 -35.2 -7.6 57 57 A D E -D 28 0A 24 -29,-1.9 -29,-3.0 -2,-0.4 3,-0.1 -0.999 24.2-142.8-139.8 137.5 34.2 -34.7 -11.4 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.824 95.1 22.2 -69.4 -33.7 37.0 -34.4 -13.9 59 59 A D S S- 0 0 88 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.390 95.6-114.2-124.2 3.2 35.5 -31.8 -16.2 60 60 A N S S+ 0 0 20 1,-0.2 -51,-1.8 -32,-0.2 2,-0.4 0.676 80.9 117.4 70.1 15.6 32.8 -29.8 -14.4 61 61 A Q E -b 9 0A 101 -53,-0.2 -2,-0.3 -51,-0.0 2,-0.3 -0.975 44.2-171.2-114.8 130.5 30.1 -31.2 -16.7 62 62 A F E +b 10 0A 0 -53,-3.2 -51,-2.1 -2,-0.4 9,-0.1 -0.477 40.5 122.8-124.7 61.6 27.4 -33.4 -15.0 63 63 A F + 0 0 56 -2,-0.3 -1,-0.1 -53,-0.3 2,-0.1 0.350 39.0 110.7-106.1 2.4 25.4 -35.0 -17.8 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.1 1,-0.1 4,-0.9 -0.475 76.5-120.5 -75.6 151.0 25.8 -38.7 -16.9 65 65 A S G >4 S+ 0 0 117 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.901 116.0 55.8 -56.1 -39.7 22.8 -40.6 -15.6 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.749 104.2 55.3 -64.7 -24.3 24.8 -41.4 -12.4 67 67 A D G X> S+ 0 0 17 -3,-1.1 4,-2.4 1,-0.2 3,-0.7 0.733 85.2 84.4 -78.5 -25.4 25.3 -37.6 -11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.868 113.5 49.6 -65.4 -30.8 20.7 -37.3 -8.4 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 -4,-0.4 5,-0.3 0.916 107.6 53.8 -70.3 -43.5 23.8 -35.3 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 -60,-0.3 5,-0.2 0.939 114.0 42.1 -53.8 -48.4 23.0 -32.4 -9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.894 112.2 51.9 -72.6 -40.2 19.5 -32.1 -8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.933 116.1 42.9 -58.4 -43.5 20.5 -32.7 -4.4 74 74 A H H X S+ 0 0 4 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.943 118.0 43.2 -69.1 -48.0 23.1 -29.9 -4.7 75 75 A Y H X S+ 0 0 95 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.924 114.9 47.7 -68.3 -45.3 21.0 -27.5 -6.6 76 76 A Y H X S+ 0 0 28 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.819 106.4 57.9 -72.2 -28.2 17.8 -27.9 -4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.2 0.906 107.2 50.4 -59.9 -40.0 19.7 -27.5 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.923 109.5 49.1 -62.4 -45.2 20.8 -24.2 -2.8 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.925 112.2 48.7 -60.4 -42.8 17.2 -23.2 -3.5 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 109.4 51.9 -67.9 -40.0 16.1 -24.2 -0.0 81 81 A Y H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.927 110.5 49.8 -55.9 -46.8 19.0 -22.2 1.5 82 82 A D H X S+ 0 0 40 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.889 108.4 53.3 -61.9 -40.9 17.8 -19.2 -0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 5,-0.7 0.963 111.7 43.3 -58.4 -54.3 14.2 -19.6 0.6 84 84 A Y H X5S+ 0 0 5 -4,-2.4 6,-2.5 3,-0.2 4,-1.2 0.902 119.9 42.9 -62.8 -37.9 15.1 -19.6 4.3 85 85 A K H X5S+ 0 0 90 -4,-2.4 4,-1.1 4,-0.3 -2,-0.2 0.958 121.8 36.3 -71.9 -49.5 17.6 -16.7 4.0 86 86 A N H <5S+ 0 0 98 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.844 128.3 33.0 -75.2 -35.2 15.5 -14.4 1.7 87 87 A V H <5S+ 0 0 54 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.850 135.8 18.4 -92.9 -36.9 12.1 -15.2 3.1 88 88 A H H < - 0 0 55 -2,-0.5 6,-2.5 4,-0.3 4,-0.5 -0.796 63.1 -44.8 -96.4 102.6 21.0 -18.5 7.7 92 92 A S T >4 S- 0 0 6 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.009 92.5 -54.9 59.6-172.7 21.1 -22.3 7.0 93 93 A Y T 34 S+ 0 0 19 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.807 138.8 43.4 -72.0 -28.8 19.4 -24.9 9.3 94 94 A D T 34 S- 0 0 49 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.465 108.7-117.5 -92.8 -3.1 21.1 -23.7 12.5 95 95 A G S << S+ 0 0 34 -3,-0.7 -4,-0.3 -4,-0.5 -3,-0.2 0.490 102.3 80.3 78.8 2.1 20.7 -20.0 11.9 96 96 A N S S- 0 0 123 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.036 113.6 -95.3-131.8 30.1 24.5 -19.6 11.8 97 97 A N - 0 0 34 -6,-2.5 -60,-1.3 1,-0.2 -5,-0.2 0.783 53.9-172.9 64.6 32.0 25.3 -20.8 8.3 98 98 A A - 0 0 19 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.236 36.3 -95.6 -50.8 140.7 26.1 -24.4 9.2 99 99 A A - 0 0 18 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.372 37.1-135.2 -57.8 136.8 27.5 -26.3 6.2 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-3.1 -3,-0.1 2,-0.4 -0.870 24.2-170.9-102.0 118.9 24.8 -28.3 4.4 101 101 A R E +f 40 0B 90 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.919 7.6 177.0-116.1 136.7 25.7 -31.9 3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.1 -2,-0.4 2,-0.4 -0.995 12.8-157.4-133.5 142.4 23.8 -34.4 1.4 103 103 A S E -fh 42 121B 0 17,-2.2 19,-2.5 -2,-0.3 3,-0.2 -0.972 12.3-170.3-117.6 136.2 24.6 -37.9 0.2 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.8 -2,-0.4 -59,-0.3 -0.669 63.4 44.1-116.6 175.0 23.1 -39.5 -2.8 105 105 A H E S+ 0 0 7 17,-0.3 -59,-2.4 -2,-0.2 2,-0.4 0.878 75.2 176.8 53.5 41.2 23.1 -43.0 -4.2 106 106 A Y E - h 0 123B 34 16,-2.0 18,-0.5 -3,-0.2 4,-0.4 -0.636 48.9 -34.8 -76.9 125.0 22.4 -44.3 -0.7 107 107 A S S S- 0 0 31 -60,-2.3 2,-0.4 -2,-0.4 -60,-0.1 -0.085 90.9 -62.0 61.6-161.6 22.0 -48.1 -0.5 108 108 A Q S S- 0 0 158 1,-0.1 3,-0.2 15,-0.1 18,-0.1 -0.992 109.2 -8.7-126.8 129.6 20.3 -50.1 -3.3 109 109 A G S S+ 0 0 41 16,-0.4 2,-0.7 -2,-0.4 17,-0.3 0.812 84.7 175.4 59.4 33.1 16.7 -49.6 -4.5 110 110 A Y - 0 0 71 15,-0.4 15,-1.8 -4,-0.4 2,-1.1 -0.621 21.4-163.6 -87.0 111.4 16.1 -47.3 -1.5 111 111 A N + 0 0 51 -2,-0.7 2,-0.3 -3,-0.2 -1,-0.1 -0.286 61.4 52.4 -90.6 49.1 12.6 -45.8 -1.5 112 112 A N - 0 0 86 -2,-1.1 11,-2.3 18,-0.0 2,-0.3 -0.972 57.5-147.1-164.4 174.7 13.2 -43.0 1.0 113 113 A A E +I 122 0B 5 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.953 24.4 171.6-148.3 157.4 15.2 -40.0 2.0 114 114 A F E -I 121 0B 57 7,-2.3 7,-2.5 -2,-0.3 2,-0.5 -0.987 38.6-114.6-160.9 164.8 16.0 -38.7 5.5 115 115 A W E -I 120 0B 25 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.973 26.4-162.1-103.3 124.0 17.9 -36.4 7.8 116 116 A N - 0 0 67 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.247 55.0 -87.1 -96.2 14.9 20.2 -38.5 9.9 117 117 A G S S+ 0 0 42 2,-0.3 3,-0.1 0, 0.0 -1,-0.0 0.088 124.9 35.6 102.3 -19.6 20.8 -35.9 12.6 118 118 A S S S+ 0 0 86 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.508 120.6 7.7-138.1 -19.0 23.8 -34.4 10.7 119 119 A Q S S- 0 0 12 -19,-0.1 -3,-2.5 -16,-0.0 -1,-0.4 -0.982 71.9 -94.5-161.6 164.2 23.1 -34.5 7.0 120 120 A M E -hI 102 115B 0 -19,-2.7 -17,-2.2 -2,-0.3 2,-0.4 -0.657 34.6-164.6 -88.4 147.0 20.5 -35.3 4.3 121 121 A V E -hI 103 114B 0 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.5 -0.999 2.2-166.1-137.1 131.4 20.5 -38.7 2.6 122 122 A Y E - I 0 113B 1 -19,-2.5 -16,-2.0 -2,-0.4 -17,-0.3 -0.970 8.0-150.7-127.0 124.6 18.7 -39.8 -0.6 123 123 A G E -h 106 0B 1 -11,-2.3 10,-1.7 -2,-0.5 11,-0.4 -0.319 20.6-129.8 -74.1 166.4 18.0 -43.2 -2.0 124 124 A D - 0 0 26 -18,-0.5 3,-0.2 8,-0.2 -13,-0.1 0.516 44.8-129.8 -90.0 -9.4 17.7 -43.8 -5.7 125 125 A G - 0 0 8 -15,-1.8 -16,-0.4 -13,-0.2 -15,-0.4 -0.029 24.0 -89.6 75.3 168.6 14.4 -45.6 -5.4 126 126 A D - 0 0 74 -17,-0.3 -1,-0.2 5,-0.1 5,-0.1 0.330 56.6-109.9 -96.6 7.3 13.7 -49.0 -7.0 127 127 A G S S+ 0 0 35 3,-2.4 4,-0.1 -3,-0.2 -2,-0.1 0.315 109.8 61.3 82.0 -8.7 12.5 -47.4 -10.2 128 128 A Q S S+ 0 0 150 2,-0.3 68,-0.4 67,-0.1 3,-0.1 0.756 113.9 23.1-111.4 -56.2 8.9 -48.5 -9.5 129 129 A T S S+ 0 0 56 1,-0.3 65,-3.2 65,-0.2 2,-0.3 0.890 136.6 4.5 -79.0 -41.4 7.8 -46.8 -6.3 130 130 A F B -J 193 0C 12 63,-0.3 -3,-2.4 64,-0.1 -1,-0.3 -0.986 54.7-148.9-139.3 151.3 10.4 -44.0 -6.6 131 131 A I S S- 0 0 37 61,-2.3 -5,-0.1 -2,-0.3 -6,-0.1 -0.563 75.3 -41.9 -98.2 177.3 13.1 -42.6 -9.0 132 132 A P > - 0 0 28 0, 0.0 3,-2.0 0, 0.0 -8,-0.2 -0.147 62.3-139.9 -52.2 127.5 16.0 -40.9 -7.3 133 133 A L G > S+ 0 0 5 -10,-1.7 3,-1.7 1,-0.3 7,-0.2 0.694 92.1 71.7 -73.5 -20.8 14.4 -38.8 -4.5 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.2 0.593 78.8 81.9 -67.7 -8.8 16.5 -35.7 -4.8 135 135 A G G < S+ 0 0 0 -3,-2.0 2,-0.6 -4,-0.1 -1,-0.3 0.595 78.6 79.7 -67.6 -11.3 14.6 -35.0 -8.1 136 136 A G <> - 0 0 0 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 -0.884 64.5-162.1-101.8 117.0 11.8 -33.6 -6.0 137 137 A I H > S+ 0 0 9 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.902 96.3 53.2 -62.9 -37.5 12.3 -30.0 -4.8 138 138 A D H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 108.9 50.7 -64.1 -33.6 9.6 -30.6 -2.2 139 139 A V H > S+ 0 0 12 2,-0.2 4,-2.6 -6,-0.2 -2,-0.2 0.946 110.5 47.4 -67.7 -49.3 11.5 -33.7 -1.0 140 140 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.940 115.8 44.6 -57.9 -46.2 14.8 -31.9 -0.7 141 141 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.864 109.5 57.3 -69.5 -32.4 13.2 -29.0 1.2 142 142 A H H X S+ 0 0 8 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.944 110.5 44.6 -58.1 -47.7 11.2 -31.5 3.4 143 143 A E H >X S+ 0 0 13 -4,-2.6 4,-1.0 1,-0.2 3,-0.5 0.928 113.3 47.3 -66.9 -45.9 14.5 -33.1 4.4 144 144 A L H >X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 3,-0.5 0.867 106.7 60.3 -65.9 -30.7 16.4 -29.8 5.1 145 145 A T H 3X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.836 94.4 62.4 -66.5 -29.2 13.4 -28.6 7.1 146 146 A H H <>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 3,-1.2 0.936 109.2 52.6 -59.8 -46.9 13.0 -28.3 13.2 150 150 A D H 3<5S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 111.7 46.5 -61.1 -31.6 15.6 -30.2 15.1 151 151 A Y H 3<5S+ 0 0 128 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.562 127.0 24.1 -86.0 -8.6 17.6 -26.9 15.7 152 152 A T T <<5S+ 0 0 42 -3,-1.2 -3,-0.2 -4,-0.8 120,-0.1 0.476 134.3 8.7-120.3 -98.3 14.5 -25.0 16.8 153 153 A A T 5S- 0 0 5 118,-0.4 -3,-0.2 -5,-0.1 3,-0.1 0.872 78.3-151.1 -59.1 -39.1 11.3 -26.5 18.2 154 154 A G < - 0 0 23 -5,-2.8 -4,-0.2 1,-0.2 -1,-0.1 0.780 15.1-162.0 74.4 26.3 12.9 -29.9 18.5 155 155 A L - 0 0 4 -6,-0.2 -1,-0.2 1,-0.1 123,-0.2 -0.169 21.3-117.1 -48.2 119.5 9.6 -31.7 18.0 156 156 A I - 0 0 72 121,-2.7 2,-1.9 -3,-0.1 9,-0.3 -0.351 25.4-117.8 -61.8 136.8 10.1 -35.3 19.2 157 157 A Y S S+ 0 0 81 5,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.278 81.4 73.6 -83.7 57.1 9.6 -37.8 16.3 158 158 A Q S > S- 0 0 100 -2,-1.9 4,-2.0 70,-0.1 3,-0.5 -0.983 89.1 -13.7-159.2 154.8 6.6 -39.7 17.6 159 159 A N H > S- 0 0 84 68,-2.3 4,-2.1 -2,-0.3 5,-0.2 -0.139 120.7 -15.3 53.1-140.9 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 0.914 140.1 49.8 -67.9 -41.6 1.4 -35.8 17.9 161 161 A S H > S+ 0 0 14 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.896 113.1 49.6 -60.3 -35.9 4.7 -33.9 18.1 162 162 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.854 107.7 52.2 -71.1 -37.1 6.1 -36.2 15.4 163 163 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.864 110.9 48.6 -65.2 -36.5 3.1 -35.6 13.2 164 164 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.927 108.8 53.6 -65.9 -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 0.954 112.0 45.4 -50.1 -52.4 7.3 -32.4 12.8 166 166 A E H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 112.1 50.2 -59.2 -45.4 6.3 -34.1 9.6 167 167 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.894 106.3 55.7 -64.7 -40.4 3.7 -31.5 8.6 168 168 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.920 109.2 47.8 -56.9 -42.5 6.2 -28.7 9.1 169 169 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.878 114.0 46.2 -66.8 -38.6 8.5 -30.5 6.6 170 170 A D H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 113.0 51.1 -67.9 -41.7 5.6 -30.9 4.1 171 171 A I H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.970 117.2 36.7 -60.1 -55.7 4.5 -27.3 4.6 172 172 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.848 112.6 59.3 -72.4 -29.8 7.9 -25.8 4.0 173 173 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.944 111.3 42.8 -55.1 -46.7 8.7 -28.4 1.3 174 174 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.906 111.3 53.0 -68.6 -41.5 5.7 -27.1 -0.5 175 175 A L H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.886 109.6 49.8 -63.3 -35.3 6.4 -23.4 0.1 176 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.913 107.9 54.1 -66.6 -40.2 9.9 -23.9 -1.3 177 177 A E H X>S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 5,-0.8 0.920 111.1 45.3 -58.8 -43.9 8.4 -25.6 -4.3 178 178 A F H <5S+ 0 0 33 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.886 108.7 57.6 -65.4 -38.1 6.2 -22.6 -4.8 179 179 A Y H <5S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 108.8 44.4 -57.6 -44.8 9.2 -20.3 -4.3 180 180 A A H <5S- 0 0 44 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.751 100.7-149.3 -72.0 -25.2 11.1 -22.0 -7.2 181 181 A N T <5 + 0 0 120 -4,-1.3 2,-0.6 -5,-0.2 -3,-0.2 0.787 46.7 135.2 63.2 35.4 7.9 -21.8 -9.2 182 182 A K S > S+ 0 0 1 -2,-0.5 3,-1.7 12,-0.2 4,-1.5 0.522 77.0 141.0 85.3 9.2 6.8 -36.1 -3.9 190 190 A E T 34 + 0 0 33 1,-0.3 10,-0.1 2,-0.2 9,-0.1 0.773 66.2 60.6 -57.7 -29.8 4.9 -36.1 -7.2 191 191 A D T 34 S+ 0 0 43 1,-0.2 -1,-0.3 -58,-0.1 10,-0.1 0.730 119.3 24.2 -72.9 -21.2 8.0 -35.5 -9.3 192 192 A V T <4 S+ 0 0 2 -3,-1.7 -61,-2.3 -59,-0.1 2,-0.4 0.430 98.3 104.0-122.1 -2.9 9.8 -38.7 -8.1 193 193 A Y B < S-J 130 0C 56 -4,-1.5 -63,-0.3 1,-0.2 4,-0.2 -0.680 91.5 -18.5 -90.3 133.0 6.9 -41.0 -7.1 194 194 A T > - 0 0 13 -65,-3.2 3,-2.1 -2,-0.4 -1,-0.2 0.893 58.5-161.5 41.6 77.7 5.7 -43.9 -9.3 195 195 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.743 89.1 58.6 -60.3 -20.8 7.1 -43.1 -12.7 196 196 A G T 3 S+ 0 0 77 -68,-0.4 2,-0.5 1,-0.1 -2,-0.1 0.548 100.9 61.7 -83.8 -8.1 4.6 -45.5 -14.2 197 197 A I S X S- 0 0 99 -3,-2.1 3,-0.5 -4,-0.2 2,-0.2 -0.968 73.4-149.9-125.5 119.2 1.6 -43.7 -12.8 198 198 A S T 3 S+ 0 0 119 -2,-0.5 3,-0.1 1,-0.2 -4,-0.0 -0.591 72.9 20.2 -86.9 146.2 0.7 -40.1 -13.8 199 199 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.416 94.7 106.2 88.0 -1.1 -1.0 -37.7 -11.5 200 200 A D < - 0 0 28 -3,-0.5 2,-0.3 -6,-0.2 -1,-0.3 -0.363 41.8-173.9-103.7-175.3 -0.4 -39.3 -8.1 201 201 A S - 0 0 0 -2,-0.1 -12,-0.2 -3,-0.1 3,-0.1 -0.948 39.9-102.9-167.3 170.7 1.9 -38.4 -5.2 202 202 A L S S- 0 0 65 -14,-2.2 2,-0.3 -2,-0.3 -13,-0.2 0.883 102.4 -1.5 -76.8 -41.6 3.0 -39.8 -1.8 203 203 A R E -K 188 0D 19 -15,-1.1 -15,-2.8 -3,-0.1 2,-0.4 -0.961 63.3-142.9-141.1 161.1 0.8 -37.4 0.2 204 204 A S E -K 187 0D 1 -2,-0.3 -17,-0.2 -17,-0.2 7,-0.1 -0.997 7.2-170.6-125.4 131.6 -1.6 -34.7 -0.5 205 205 A M S S+ 0 0 0 -19,-2.9 37,-0.3 -2,-0.4 -18,-0.2 0.790 91.1 52.5 -84.3 -32.0 -2.0 -31.6 1.6 206 206 A S S S+ 0 0 27 -20,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.863 133.5 7.9 -72.9 -36.5 -5.1 -30.4 -0.1 207 207 A D > + 0 0 65 1,-0.1 3,-2.1 2,-0.0 4,-0.3 -0.620 67.1 175.5-143.7 79.8 -6.9 -33.7 0.3 208 208 A P G > >S+ 0 0 0 0, 0.0 5,-1.8 0, 0.0 3,-1.7 0.818 75.9 69.8 -55.6 -29.4 -4.9 -36.0 2.6 209 209 A A G > 5S+ 0 0 45 1,-0.3 3,-1.8 3,-0.2 6,-0.1 0.647 74.8 81.3 -67.0 -15.6 -7.7 -38.6 2.4 210 210 A K G < 5S+ 0 0 95 -3,-2.1 -1,-0.3 1,-0.3 -7,-0.0 0.796 105.3 33.8 -62.9 -22.8 -7.0 -39.4 -1.2 211 211 A Y G < 5S- 0 0 82 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.116 127.7 -96.7-114.9 19.0 -4.3 -41.6 0.1 212 212 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.623 79.3 138.3 78.5 14.1 -6.1 -42.6 3.3 213 213 A D < - 0 0 22 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.694 59.4-100.5 -88.3 147.1 -4.4 -40.1 5.5 214 214 A P - 0 0 9 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.329 30.8-177.8 -70.8 147.9 -6.7 -38.3 8.1 215 215 A D S S+ 0 0 13 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.098 72.8 53.1-125.2 16.6 -8.1 -34.8 7.4 216 216 A H S > S- 0 0 36 98,-0.1 3,-2.1 1,-0.1 98,-0.2 -0.981 80.7-126.2-152.8 138.4 -9.9 -34.6 10.8 217 217 A Y G > S+ 0 0 60 96,-2.7 3,-1.7 -2,-0.3 97,-0.1 0.805 109.3 66.8 -59.9 -28.1 -8.7 -35.1 14.4 218 218 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.703 100.7 50.5 -64.2 -17.3 -11.5 -37.6 14.9 219 219 A K G < S+ 0 0 114 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.221 81.0 140.2-106.7 12.4 -9.7 -39.8 12.3 220 220 A R < - 0 0 100 -3,-1.7 2,-0.4 1,-0.1 9,-0.1 -0.228 53.9-121.5 -58.0 141.0 -6.3 -39.7 13.9 221 221 A Y + 0 0 63 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.715 29.2 177.9 -81.5 133.9 -4.3 -42.9 14.0 222 222 A T + 0 0 116 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.163 43.4 105.3-126.5 19.7 -3.3 -44.0 17.5 223 223 A G S S- 0 0 28 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 -0.089 79.0-106.6 -83.1-167.4 -1.5 -47.3 16.8 224 224 A T S >> S+ 0 0 129 4,-0.1 4,-0.7 3,-0.1 3,-0.6 0.572 77.4 111.0-104.2 -12.5 2.3 -47.9 17.0 225 225 A Q H >> S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 3,-0.9 -0.233 82.2 14.9 -60.3 150.6 3.2 -48.1 13.3 226 226 A D H 3> S- 0 0 55 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.877 137.2 -56.3 54.8 45.6 5.3 -45.3 11.8 227 227 A N H <4 S- 0 0 85 -3,-0.6 -68,-2.3 1,-0.2 -1,-0.3 0.861 114.5 -39.8 54.4 38.7 6.3 -43.9 15.1 228 228 A G H << S- 0 0 3 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.823 114.3 -55.6 76.9 32.4 2.6 -43.5 16.1 229 229 A G H >X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.1 3,-1.6 0.803 77.9 158.9 78.5 34.2 1.6 -42.4 12.6 230 230 A V T 3< S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.3 -63,-0.1 0.843 81.5 40.7 -62.0 -32.7 3.9 -39.4 12.1 231 231 A H T 34 S+ 0 0 48 -5,-0.4 -1,-0.3 2,-0.1 -4,-0.1 0.412 121.7 45.7 -90.0 -0.9 3.5 -39.6 8.3 232 232 A I T X4 S+ 0 0 41 -3,-1.6 3,-1.9 -6,-0.2 -2,-0.2 0.806 112.2 43.0-105.2 -59.6 -0.2 -40.3 8.6 233 233 A N T >X S+ 0 0 8 -4,-3.0 3,-1.4 1,-0.3 4,-0.8 0.626 94.2 82.5 -67.7 -11.8 -1.5 -37.9 11.2 234 234 A S H 3> S+ 0 0 0 -5,-0.5 4,-3.2 -4,-0.4 -1,-0.3 0.786 77.3 74.3 -59.0 -25.2 0.5 -35.1 9.5 235 235 A G H <> S+ 0 0 2 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.827 88.5 57.0 -56.3 -33.5 -2.5 -35.0 7.2 236 236 A I H <> S+ 0 0 0 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.916 114.2 36.8 -67.1 -42.6 -4.5 -33.3 9.8 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.2 -2,-0.2 0.881 114.0 55.9 -78.0 -40.3 -2.0 -30.4 10.1 238 238 A N H X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.906 108.0 50.6 -56.3 -42.0 -1.3 -30.4 6.4 239 239 A K H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.909 109.3 50.1 -62.3 -42.5 -5.0 -29.9 5.8 240 240 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.920 111.5 48.5 -62.3 -43.0 -5.1 -27.0 8.2 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.908 110.6 50.9 -62.8 -44.6 -2.1 -25.3 6.6 242 242 A Y H X>S+ 0 0 55 -4,-2.5 4,-3.2 -37,-0.3 5,-0.5 0.913 111.6 47.8 -58.6 -43.6 -3.7 -25.8 3.1 243 243 A L H X5S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 108.3 54.4 -66.8 -41.0 -6.9 -24.2 4.4 244 244 A I H <5S+ 0 0 0 -4,-2.5 14,-2.6 -5,-0.2 15,-0.4 0.931 119.1 34.5 -58.2 -43.5 -5.2 -21.3 6.0 245 245 A S H <5S+ 0 0 4 -4,-2.2 14,-2.1 12,-0.2 -2,-0.2 0.948 135.3 19.4 -75.6 -51.5 -3.4 -20.5 2.7 246 246 A Q H <5S- 0 0 85 -4,-3.2 11,-0.3 -5,-0.2 -3,-0.2 0.586 95.0-142.1-101.6 -14.2 -6.0 -21.4 0.1 247 247 A G << + 0 0 10 -4,-2.1 2,-0.2 -5,-0.5 9,-0.2 -0.060 30.8 152.8 73.1 178.0 -9.3 -21.4 2.0 248 248 A G E -L 255 0E 32 7,-2.0 7,-3.1 -5,-0.1 2,-0.5 -0.790 46.6 -87.2 146.7 174.2 -12.2 -23.7 1.6 249 249 A T E -L 254 0E 94 5,-0.3 2,-0.5 -2,-0.2 5,-0.3 -0.981 41.1-179.1-119.1 119.8 -15.1 -25.4 3.4 250 250 A H E > S-L 253 0E 17 3,-2.4 3,-1.9 -2,-0.5 -2,-0.0 -0.982 71.1 -14.5-128.9 121.1 -14.3 -28.6 5.1 251 251 A Y T 3 S- 0 0 121 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.876 131.4 -52.8 46.2 42.7 -16.9 -30.6 7.0 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.399 113.2 119.4 83.8 -3.3 -19.1 -27.5 6.8 253 253 A V E < -L 250 0E 48 -3,-1.9 -3,-2.4 59,-0.1 2,-0.4 -0.865 53.5-147.0-101.2 118.7 -16.5 -25.1 8.3 254 254 A S E -L 249 0E 73 -2,-0.6 2,-0.4 -5,-0.3 -5,-0.3 -0.681 11.2-166.1 -90.3 135.9 -15.5 -22.3 6.0 255 255 A V E -L 248 0E 8 -7,-3.1 -7,-2.0 -2,-0.4 2,-0.6 -0.971 16.3-138.2-121.6 129.9 -12.0 -20.9 6.0 256 256 A V - 0 0 71 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.790 28.5-129.0 -85.8 118.0 -11.0 -17.6 4.4 257 257 A G - 0 0 34 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.384 23.5-174.2 -70.8 144.0 -7.6 -18.1 2.7 258 258 A I - 0 0 24 -14,-2.6 4,-0.4 1,-0.2 -13,-0.2 0.394 45.4-107.0-117.8 -0.8 -4.8 -15.6 3.5 259 259 A G > - 0 0 25 -14,-2.1 4,-2.0 -15,-0.4 -1,-0.2 0.005 29.7 -77.6 95.0 163.4 -2.2 -16.9 1.0 260 260 A R H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 120.4 57.2 -70.3 -39.0 1.1 -18.8 1.1 261 261 A D H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 111.4 42.9 -61.5 -45.2 3.4 -16.0 2.2 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.886 111.5 54.5 -69.4 -38.2 1.3 -15.4 5.4 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.950 110.8 47.7 -52.9 -50.1 1.0 -19.1 6.0 264 264 A G H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.893 111.8 48.2 -61.1 -42.9 4.8 -19.3 5.9 265 265 A K H X S+ 0 0 86 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.925 113.9 47.3 -63.7 -44.7 5.3 -16.3 8.2 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.941 116.7 41.5 -64.0 -47.2 2.8 -17.7 10.7 267 267 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.845 112.6 53.6 -74.3 -30.3 4.2 -21.2 10.8 268 268 A Y H X S+ 0 0 32 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.936 111.4 46.6 -66.6 -43.2 7.9 -20.1 10.7 269 269 A R H X>S+ 0 0 83 -4,-2.2 4,-2.1 -5,-0.2 5,-0.5 0.915 112.7 49.7 -63.3 -42.5 7.2 -17.9 13.8 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 4,-1.8 0.945 112.4 48.1 -59.9 -47.0 5.3 -20.8 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.4 1,-0.2 -1,-0.2 0.864 121.3 34.2 -60.2 -39.9 8.2 -23.2 14.8 272 272 A T H <5S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.633 130.2 25.8 -97.4 -14.8 10.9 -20.9 16.0 273 273 A Q H <5S+ 0 0 121 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.591 129.1 19.9-122.9 -20.1 9.3 -19.0 18.9 274 274 A Y T < - 0 0 62 -2,-0.1 3,-1.4 -122,-0.1 -120,-0.1 -0.734 40.5 -88.6-129.1 175.8 8.6 -27.2 22.0 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.803 125.9 39.8 -61.4 -26.4 9.8 -30.8 21.7 278 278 A T T 3 S+ 0 0 96 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.270 80.1 143.6-106.8 10.9 6.5 -32.1 23.2 279 279 A S < - 0 0 4 -3,-1.4 -115,-0.2 -126,-0.1 2,-0.2 -0.219 32.3-158.4 -53.0 134.2 3.9 -29.8 21.6 280 280 A N > - 0 0 61 -120,-0.1 4,-2.1 -119,-0.1 5,-0.2 -0.471 36.8 -88.9-102.0-179.0 0.7 -31.6 20.7 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.896 127.1 52.0 -59.6 -43.0 -1.9 -30.5 18.1 282 282 A S H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 111.1 49.2 -60.5 -38.7 -3.9 -28.3 20.5 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 107.0 54.5 -71.0 -33.5 -0.6 -26.6 21.4 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.914 106.3 52.9 -62.6 -42.2 0.2 -26.0 17.8 285 285 A R H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.952 111.0 46.5 -57.3 -47.2 -3.1 -24.3 17.3 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.897 112.3 50.5 -62.9 -41.0 -2.3 -22.0 20.2 287 287 A A H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 112.3 46.7 -63.1 -43.1 1.2 -21.3 18.8 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.890 111.9 50.1 -68.8 -40.0 -0.2 -20.5 15.4 289 289 A V H X S+ 0 0 25 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.927 113.4 46.5 -62.1 -43.2 -2.9 -18.2 16.8 290 290 A Q H X S+ 0 0 83 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.922 112.0 50.8 -66.1 -40.6 -0.3 -16.4 18.9 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 111.3 47.0 -62.8 -46.0 2.1 -16.1 15.9 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.7 0.863 111.2 53.4 -62.9 -35.9 -0.6 -14.7 13.7 293 293 A T H X5S+ 0 0 37 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.917 108.8 48.6 -64.0 -44.2 -1.5 -12.3 16.6 294 294 A D H <5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.899 119.9 37.7 -59.0 -43.3 2.1 -11.1 16.9 295 295 A L H <5S+ 0 0 63 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.836 135.4 12.3 -83.6 -34.6 2.3 -10.5 13.1 296 296 A Y H <5S- 0 0 71 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.525 107.3 -98.0-127.7 -13.5 -1.1 -9.2 12.1 297 297 A G ><< - 0 0 27 -4,-1.4 3,-1.9 -5,-0.7 6,-0.4 0.084 32.8 -86.0 104.0 148.5 -3.0 -8.3 15.3 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.782 125.9 45.5 -59.0 -31.0 -5.6 -9.9 17.5 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.300 90.1 124.3 -96.2 9.8 -8.5 -8.6 15.4 300 300 A S S <> S- 0 0 15 -3,-1.9 4,-1.9 1,-0.1 5,-0.1 -0.242 71.3-124.9 -72.7 156.7 -7.0 -9.5 12.1 301 301 A Q H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.839 112.1 62.5 -60.5 -34.9 -8.4 -11.7 9.4 302 302 A E H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 104.7 44.2 -61.3 -45.9 -5.2 -13.8 9.6 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.0 -11,-0.2 -1,-0.2 0.930 113.3 51.6 -63.9 -44.2 -5.9 -14.7 13.3 304 304 A A H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.896 110.1 49.9 -59.5 -40.2 -9.6 -15.5 12.4 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.865 106.1 54.2 -68.8 -38.6 -8.5 -17.7 9.6 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.939 111.4 46.9 -58.9 -45.6 -6.0 -19.7 11.6 307 307 A K H X S+ 0 0 90 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.917 111.3 50.8 -61.6 -44.6 -8.8 -20.4 14.1 308 308 A Q H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.910 109.8 51.0 -58.1 -44.7 -11.2 -21.4 11.3 309 309 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.923 111.8 44.6 -64.2 -46.1 -8.7 -23.8 9.8 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.2 0.889 112.5 53.0 -68.1 -35.4 -8.0 -25.6 13.1 311 311 A D H ><5S+ 0 0 55 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.930 105.6 56.1 -57.0 -45.3 -11.8 -25.7 13.8 312 312 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.7 43.5 -61.5 -34.6 -12.2 -27.3 10.4 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.7 -3,-0.1 -1,-0.3 0.284 119.0-109.0 -94.9 10.3 -9.8 -30.1 11.2 314 314 A G T < 5S+ 0 0 31 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.703 71.3 138.7 77.8 21.2 -11.2 -30.7 14.7 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.890 360.0 360.0-104.7 115.9 -8.3 -29.3 16.7 316 316 A K 0 0 161 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.612 360.0 360.0-104.7 360.0 -9.3 -27.2 19.6