==== 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 LIGASE 02-MAR-01 1I6L . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.RETAILLEAU,C.W.CARTER . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 45.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 1 1 3 0 0 3 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 151 0, 0.0 32,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 150.5 75.3 22.1 50.2 2 2 A K - 0 0 123 30,-0.3 32,-2.8 1,-0.1 2,-0.4 -0.127 360.0-120.3 -70.7 168.4 71.7 23.4 50.3 3 3 A T E -a 34 0A 15 134,-0.2 137,-2.4 30,-0.2 136,-1.9 -0.932 18.8-164.7-120.7 140.5 68.6 21.3 49.9 4 4 A I E -ab 35 140A 0 30,-3.3 32,-2.2 -2,-0.4 2,-0.4 -0.916 6.1-179.3-119.9 141.0 65.8 21.5 47.4 5 5 A F E +a 36 0A 4 135,-1.7 2,-0.3 -2,-0.4 32,-0.2 -0.998 10.1 158.1-133.6 139.7 62.4 19.9 47.5 6 6 A S E -a 37 0A 4 30,-1.9 32,-2.4 -2,-0.4 2,-0.3 -0.993 15.4-161.7-156.3 150.9 59.6 20.1 44.9 7 7 A G E -a 38 0A 32 -2,-0.3 2,-0.3 30,-0.2 32,-0.2 -0.951 6.6-164.5-135.3 158.2 56.5 18.1 44.0 8 8 A I E -a 39 0A 16 30,-2.1 32,-1.8 -2,-0.3 -2,-0.0 -0.997 26.9-120.6-138.5 136.2 54.1 17.6 41.2 9 9 A Q - 0 0 20 -2,-0.3 2,-0.2 30,-0.2 32,-0.1 -0.616 29.1-117.4 -78.3 136.4 50.7 15.8 41.3 10 10 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.487 53.6 154.1 -69.5 127.6 50.3 12.8 39.0 11 11 A S - 0 0 18 46,-0.4 3,-0.1 -2,-0.2 50,-0.0 -0.972 60.7-100.2-152.3 173.0 47.5 13.6 36.5 12 12 A G S S+ 0 0 64 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.699 110.3 43.4 -67.3 -22.9 46.1 13.0 33.1 13 13 A V - 0 0 25 192,-0.0 2,-0.5 193,-0.0 -1,-0.2 -0.980 56.1-179.8-131.5 123.2 47.6 16.3 31.9 14 14 A I - 0 0 13 -2,-0.4 192,-2.4 -3,-0.1 193,-0.3 -0.993 28.8-156.8-115.8 120.4 51.2 17.6 32.5 15 15 A T B > -E 205 0B 2 -2,-0.5 4,-1.8 190,-0.3 190,-0.3 -0.472 33.4-110.8 -97.8 171.0 51.5 21.1 30.7 16 16 A I H > S+ 0 0 2 188,-2.2 4,-2.7 1,-0.2 5,-0.2 0.678 120.3 64.5 -71.6 -14.4 54.2 23.3 29.3 17 17 A G H > S+ 0 0 15 187,-0.3 4,-2.5 2,-0.2 5,-0.4 0.907 103.0 47.1 -72.3 -39.8 53.3 25.6 32.2 18 18 A N H >>S+ 0 0 46 -3,-0.2 5,-2.1 1,-0.2 4,-1.5 0.880 115.4 47.2 -63.4 -41.2 54.5 22.8 34.6 19 19 A Y H <>S+ 0 0 38 -4,-1.8 5,-2.8 3,-0.2 6,-0.3 0.964 115.9 41.0 -66.9 -51.8 57.6 22.5 32.5 20 20 A I H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.908 122.3 39.2 -64.8 -39.5 58.4 26.2 32.3 21 21 A G H <5S- 0 0 4 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.790 136.9 -0.2 -82.4 -30.4 57.6 27.1 35.9 22 22 A A T X5S+ 0 0 13 -4,-1.5 4,-2.1 -5,-0.4 3,-0.4 0.714 121.0 51.7-124.8 -70.1 59.0 24.0 37.6 23 23 A L H > S+ 0 0 2 -3,-0.4 4,-2.5 -6,-0.3 5,-0.2 0.914 107.1 56.3 -64.0 -45.5 64.2 24.8 37.3 26 26 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.921 110.6 43.7 -53.1 -49.1 64.7 21.2 38.7 27 27 A V H < S+ 0 0 49 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.893 113.8 51.9 -65.7 -39.0 67.0 20.3 35.8 28 28 A E H < S+ 0 0 105 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.893 119.0 34.2 -61.0 -44.6 68.9 23.6 36.1 29 29 A L H >X S+ 0 0 11 -4,-2.5 3,-1.2 1,-0.2 4,-0.9 0.568 88.2 96.8 -91.2 -15.4 69.5 23.2 39.9 30 30 A Q T 3< S+ 0 0 19 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.774 84.3 48.5 -53.5 -33.2 70.0 19.5 40.3 31 31 A H T 34 S+ 0 0 122 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.770 112.9 48.2 -78.6 -22.6 73.8 19.5 40.2 32 32 A E T <4 S+ 0 0 110 -3,-1.2 -30,-0.3 -4,-0.2 2,-0.3 0.487 112.8 41.6 -94.2 -10.1 74.2 22.4 42.7 33 33 A Y S < S- 0 0 57 -4,-0.9 2,-0.5 -3,-0.2 -30,-0.2 -0.926 84.3-105.3-134.0 161.4 71.8 21.1 45.5 34 34 A N E -a 3 0A 69 -32,-2.8 -30,-3.3 -2,-0.3 2,-0.4 -0.785 55.3-157.4 -79.5 130.3 70.7 18.0 47.3 35 35 A C E -a 4 0A 4 -2,-0.5 41,-2.9 39,-0.5 2,-0.5 -0.956 28.9-174.6-127.3 137.8 67.4 17.5 45.6 36 36 A Y E -ac 5 76A 13 -32,-2.2 -30,-1.9 -2,-0.4 2,-0.5 -0.995 11.8-176.3-126.5 116.3 64.2 15.6 46.4 37 37 A F E -ac 6 77A 0 39,-2.8 41,-2.0 -2,-0.5 2,-0.3 -0.987 13.1-161.1-119.6 123.3 61.6 15.6 43.6 38 38 A C E -ac 7 78A 0 -32,-2.4 -30,-2.1 -2,-0.5 2,-0.8 -0.820 28.0-144.4-118.1 147.7 58.3 14.0 44.4 39 39 A I E -ac 8 79A 0 39,-2.4 41,-2.7 -2,-0.3 2,-1.9 -0.925 30.3-148.3-102.0 103.8 55.3 12.5 42.7 40 40 A V > + 0 0 6 -32,-1.8 4,-1.7 -2,-0.8 3,-0.2 -0.476 36.1 155.9 -82.5 69.1 52.6 13.6 45.1 41 41 A D H > S+ 0 0 19 -2,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.824 71.8 57.3 -64.0 -35.3 50.0 10.8 44.9 42 42 A Q H 4 S+ 0 0 52 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.856 107.4 48.6 -67.1 -29.2 48.6 11.5 48.3 43 43 A H H >4 S+ 0 0 2 1,-0.2 3,-1.9 -3,-0.2 -1,-0.2 0.877 104.0 62.2 -74.2 -34.7 47.8 15.0 47.2 44 44 A A H >< S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.3 -2,-0.2 0.849 95.6 59.6 -56.6 -36.9 46.2 13.6 44.1 45 45 A I T 3< S+ 0 0 105 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.426 72.8 95.1 -77.4 6.7 43.6 11.8 46.0 46 46 A T T < S+ 0 0 15 -3,-1.9 76,-0.3 75,-0.2 2,-0.3 0.714 97.5 37.2 -67.1 -13.8 42.3 15.0 47.6 47 47 A V S < S- 0 0 49 -3,-1.3 0, 0.0 -4,-0.2 0, 0.0 -0.915 116.3 -77.7-128.6 157.8 39.9 14.7 44.7 48 48 A W - 0 0 209 -2,-0.3 2,-0.4 1,-0.0 -2,-0.1 -0.296 50.1-171.8 -57.2 137.6 38.4 11.5 43.3 49 49 A Q - 0 0 40 -4,-0.1 -1,-0.0 -3,-0.0 3,-0.0 -0.996 29.5-120.6-132.7 130.6 40.8 9.5 41.1 50 50 A D > - 0 0 63 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.517 30.5-135.1 -64.5 125.8 40.1 6.5 39.0 51 51 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.914 100.0 46.8 -55.4 -44.7 42.5 3.9 40.6 52 52 A H H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.927 114.7 47.8 -64.6 -43.7 43.8 2.5 37.3 53 53 A E H > S+ 0 0 87 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.886 110.4 52.7 -62.8 -42.0 44.4 6.0 35.8 54 54 A L H X S+ 0 0 25 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.960 107.8 49.6 -59.6 -50.8 46.1 7.1 39.0 55 55 A R H X S+ 0 0 185 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.924 115.7 44.4 -52.7 -47.7 48.5 4.2 38.9 56 56 A Q H X S+ 0 0 51 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.934 110.9 52.8 -62.6 -47.8 49.3 5.0 35.2 57 57 A N H X S+ 0 0 10 -4,-3.2 4,-2.3 1,-0.2 -46,-0.4 0.836 106.7 54.8 -59.1 -35.3 49.6 8.8 35.9 58 58 A I H X S+ 0 0 17 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.950 111.4 42.7 -63.8 -45.4 52.1 8.1 38.6 59 59 A R H X S+ 0 0 63 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.919 114.0 53.3 -65.5 -42.6 54.3 6.0 36.2 60 60 A R H X S+ 0 0 82 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.916 108.6 48.0 -59.6 -41.9 53.8 8.7 33.5 61 61 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.899 109.9 51.9 -68.1 -36.5 54.9 11.5 35.7 62 62 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.930 111.3 48.9 -63.2 -43.5 58.0 9.5 36.8 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.877 111.6 49.1 -61.8 -41.4 58.8 8.9 33.1 64 64 A L H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.895 108.2 52.8 -66.9 -41.9 58.4 12.6 32.3 65 65 A Y H <>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-0.3 0.950 116.0 40.4 -57.4 -47.7 60.6 13.7 35.2 66 66 A L H ><5S+ 0 0 7 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.911 113.2 55.8 -68.1 -42.1 63.3 11.4 33.9 67 67 A A H 3<5S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 102.5 55.0 -58.1 -38.5 62.6 12.4 30.2 68 68 A V T 3<5S- 0 0 9 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.589 131.5 -91.8 -74.0 -9.4 63.1 16.1 30.9 69 69 A G T < 5 + 0 0 30 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.429 67.3 156.1 116.4 -1.2 66.5 15.3 32.3 70 70 A I < - 0 0 5 -5,-2.1 -1,-0.3 -6,-0.2 -43,-0.1 -0.399 36.1-144.7 -57.2 129.1 66.2 14.7 36.1 71 71 A D >> - 0 0 61 -2,-0.1 3,-2.3 1,-0.1 4,-1.5 -0.877 11.4-148.3-107.6 117.0 69.2 12.6 36.9 72 72 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.586 99.6 57.9 -59.4 -13.2 69.0 9.9 39.6 73 73 A T T 34 S+ 0 0 110 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.602 116.0 35.0 -89.4 -12.5 72.6 10.3 40.5 74 74 A Q T <4 S+ 0 0 59 -3,-2.3 -39,-0.5 1,-0.2 2,-0.3 0.529 124.6 28.3-109.0 -22.4 72.0 13.9 41.2 75 75 A A S < S- 0 0 6 -4,-1.5 2,-0.7 -41,-0.1 -39,-0.2 -0.973 70.3-120.5-144.4 158.6 68.5 13.9 42.7 76 76 A T E -c 36 0A 20 -41,-2.9 -39,-2.8 -2,-0.3 2,-0.5 -0.898 27.8-169.9-106.8 114.3 66.2 11.6 44.6 77 77 A L E +c 37 0A 2 -2,-0.7 226,-0.3 222,-0.3 2,-0.3 -0.885 21.2 150.8-105.4 128.1 63.0 11.0 42.7 78 78 A F E -c 38 0A 0 -41,-2.0 -39,-2.4 -2,-0.5 2,-0.5 -0.978 46.9-103.9-155.3 166.9 60.2 9.2 44.6 79 79 A I E > -c 39 0A 10 -2,-0.3 3,-1.7 221,-0.3 -39,-0.2 -0.829 28.7-136.7 -98.7 126.1 56.5 8.6 45.1 80 80 A Q G > S+ 0 0 0 -41,-2.7 3,-2.1 -2,-0.5 6,-0.3 0.878 101.3 54.8 -48.1 -53.6 55.0 10.4 48.2 81 81 A S G 3 S+ 0 0 56 -42,-0.4 -1,-0.3 1,-0.3 -41,-0.1 0.679 96.8 67.6 -58.4 -18.8 52.9 7.5 49.4 82 82 A E G < S+ 0 0 83 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.437 93.7 61.9 -81.8 -1.8 56.0 5.3 49.5 83 83 A V X - 0 0 0 -3,-2.1 3,-2.0 -4,-0.1 4,-0.5 -0.922 69.6-164.4-128.4 94.0 57.5 7.3 52.4 84 84 A P T >> S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.762 78.7 80.0 -53.6 -25.5 55.1 7.0 55.4 85 85 A A H 3> S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.801 82.7 61.2 -54.6 -35.5 56.8 10.0 57.0 86 86 A H H <> S+ 0 0 0 -3,-2.0 4,-2.3 -6,-0.3 -1,-0.3 0.941 107.4 43.2 -61.5 -43.1 54.8 12.4 54.9 87 87 A A H <> S+ 0 0 46 -3,-0.8 4,-1.8 -4,-0.5 -2,-0.2 0.873 116.2 49.1 -65.0 -42.8 51.5 11.2 56.3 88 88 A Q H X S+ 0 0 83 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.967 114.7 43.8 -61.2 -53.0 53.0 11.1 59.9 89 89 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.873 109.4 57.4 -57.8 -41.0 54.4 14.6 59.6 90 90 A A H X S+ 0 0 6 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.888 105.6 51.6 -57.8 -42.1 51.2 15.9 58.0 91 91 A W H X S+ 0 0 158 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.955 109.5 48.6 -60.3 -50.6 49.2 14.8 61.0 92 92 A X H < S+ 0 0 6 -4,-1.8 4,-0.5 1,-0.2 3,-0.3 0.920 114.8 45.3 -57.2 -42.5 51.5 16.6 63.5 93 93 A L H >X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-1.2 0.860 105.2 59.4 -72.2 -31.1 51.3 19.8 61.4 94 94 A Q H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 102.3 59.0 -62.5 -28.8 47.5 19.5 61.0 95 95 A C T 3< S+ 0 0 71 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.685 111.4 37.7 -76.8 -16.3 47.5 19.7 64.8 96 96 A I T <4 S+ 0 0 3 -3,-1.2 2,-0.2 -4,-0.5 -2,-0.2 0.583 98.2 88.5-109.4 -10.1 49.3 23.0 64.9 97 97 A V S < S- 0 0 14 -4,-1.5 2,-0.3 1,-0.0 3,-0.0 -0.593 75.9-124.5 -85.9 149.2 47.6 24.7 61.9 98 98 A Y >> - 0 0 118 -2,-0.2 4,-1.6 1,-0.1 3,-0.6 -0.710 11.9-126.6 -94.0 145.3 44.4 26.7 62.5 99 99 A I H 3> S+ 0 0 114 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.872 111.7 57.2 -54.7 -40.1 41.2 25.9 60.6 100 100 A G H 3> S+ 0 0 39 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.876 103.3 54.3 -59.1 -38.9 41.0 29.6 59.6 101 101 A E H <4 S+ 0 0 11 -3,-0.6 3,-0.3 1,-0.2 4,-0.3 0.896 110.0 45.1 -63.6 -43.3 44.4 29.4 58.0 102 102 A L H >< S+ 0 0 7 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.874 108.6 57.9 -67.5 -39.4 43.4 26.4 55.8 103 103 A E H 3< S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 101.2 56.9 -63.4 -25.9 40.1 28.1 54.8 104 104 A R T 3< S+ 0 0 128 -4,-1.2 -1,-0.2 -3,-0.3 2,-0.2 0.494 75.2 117.8 -86.0 -4.6 42.0 31.2 53.4 105 105 A X <> - 0 0 3 -3,-1.3 4,-2.0 -4,-0.3 5,-0.1 -0.440 59.0-148.3 -64.9 128.4 44.1 29.2 51.0 106 106 A T H > S+ 0 0 61 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.935 98.5 58.0 -64.3 -44.1 43.2 30.4 47.5 107 107 A Q H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 109.5 46.6 -51.5 -39.9 43.9 26.9 46.1 108 108 A F H > S+ 0 0 33 2,-0.2 4,-1.3 -6,-0.2 -1,-0.2 0.883 111.6 48.6 -71.1 -41.7 41.3 25.6 48.5 109 109 A K H X S+ 0 0 117 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.924 115.8 44.6 -65.5 -40.7 38.7 28.3 47.7 110 110 A E H < S+ 0 0 130 -4,-3.1 3,-0.4 1,-0.2 -2,-0.2 0.912 115.5 45.3 -69.0 -45.9 39.2 27.7 43.9 111 111 A K H < S+ 0 0 72 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.699 120.4 41.6 -71.5 -19.7 39.2 23.9 44.0 112 112 A S H >< S+ 0 0 22 -4,-1.3 3,-1.8 -5,-0.2 -1,-0.2 0.443 84.7 130.8-104.7 -6.0 36.1 23.9 46.4 113 113 A A T 3< S+ 0 0 69 -4,-0.6 3,-0.1 -3,-0.4 -3,-0.1 -0.197 80.5 1.9 -52.6 139.6 34.3 26.7 44.6 114 114 A G T 3 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.708 100.4 148.2 54.8 23.7 30.6 25.9 43.9 115 115 A K < - 0 0 84 -3,-1.8 3,-0.2 1,-0.1 -1,-0.2 -0.433 41.8-157.2 -91.0 158.7 31.1 22.6 45.6 116 116 A E S S+ 0 0 166 1,-0.5 2,-0.4 -2,-0.1 -1,-0.1 0.690 81.8 8.7-111.2 -23.5 28.5 20.8 47.5 117 117 A A S S- 0 0 71 -5,-0.0 -1,-0.5 2,-0.0 2,-0.5 -0.864 77.8-152.8-159.4 107.7 30.2 18.5 49.9 118 118 A V - 0 0 63 -2,-0.4 2,-0.2 -3,-0.2 -6,-0.1 -0.848 17.2-123.0 -92.4 134.5 33.8 19.2 49.9 119 119 A S >> - 0 0 75 -2,-0.5 3,-1.1 -73,-0.2 4,-0.7 -0.544 21.6-122.5 -77.4 140.4 36.0 16.3 50.8 120 120 A A H 3> S+ 0 0 73 1,-0.2 4,-2.1 -2,-0.2 3,-0.2 0.738 104.3 68.5 -57.5 -28.1 38.2 17.1 53.8 121 121 A G H 34 S+ 0 0 25 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.824 93.3 61.8 -64.4 -27.8 41.6 16.4 52.1 122 122 A L H X4 S+ 0 0 4 -3,-1.1 3,-0.8 -76,-0.3 -1,-0.2 0.960 108.9 41.0 -61.1 -46.1 40.9 19.4 50.0 123 123 A L H 3< S+ 0 0 40 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 117.7 46.9 -68.2 -39.6 41.0 21.5 53.1 124 124 A T T 3X S+ 0 0 38 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.209 78.5 108.0 -91.8 14.9 44.0 19.7 54.7 125 125 A Y H <> S+ 0 0 25 -3,-0.8 4,-2.1 -4,-0.4 3,-0.4 0.914 71.1 59.3 -56.2 -48.4 46.1 19.8 51.6 126 126 A P H > S+ 0 0 3 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.881 99.5 51.6 -56.8 -45.2 48.5 22.4 53.0 127 127 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.876 110.3 51.0 -62.1 -34.3 49.8 20.6 56.1 128 128 A L H X S+ 0 0 20 -4,-1.1 4,-2.5 -3,-0.4 -3,-0.1 0.927 112.3 47.0 -67.3 -42.5 50.6 17.6 53.9 129 129 A X H X S+ 0 0 19 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.903 111.2 51.5 -64.0 -36.7 52.5 20.0 51.5 130 130 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.925 109.7 49.7 -65.4 -40.4 54.3 21.6 54.5 131 131 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.930 105.7 57.3 -60.5 -46.3 55.3 18.1 55.7 132 132 A D H < S+ 0 0 4 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.917 116.1 35.9 -49.7 -47.3 56.6 17.3 52.2 133 133 A I H ><>S+ 0 0 3 -4,-1.9 3,-1.1 1,-0.2 5,-1.1 0.944 118.1 47.2 -74.6 -51.9 59.0 20.3 52.4 134 134 A L H ><5S+ 0 0 4 -4,-2.8 3,-1.8 1,-0.2 36,-0.2 0.787 95.8 72.8 -66.5 -30.1 60.0 20.4 56.0 135 135 A L T 3<5S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 179,-0.2 0.819 99.4 47.6 -53.5 -32.2 60.8 16.7 56.3 136 136 A Y T < 5S- 0 0 5 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.221 111.6-112.1 -99.7 13.9 64.0 17.2 54.3 137 137 A N T < 5 - 0 0 74 -3,-1.8 -134,-0.2 1,-0.2 -3,-0.2 0.887 53.0-162.9 56.9 38.9 65.4 20.2 56.0 138 138 A T < + 0 0 1 -5,-1.1 -1,-0.2 1,-0.1 -134,-0.2 -0.289 30.5 179.9 -62.1 133.2 64.7 22.1 52.8 139 139 A D S S+ 0 0 40 -136,-1.9 34,-1.8 1,-0.2 2,-0.4 0.837 71.9 27.9 -93.9 -43.1 66.2 25.4 52.0 140 140 A I E -bd 4 173A 17 -137,-2.4 -135,-1.7 32,-0.2 -1,-0.2 -0.967 55.4-166.8-129.9 137.9 64.7 26.1 48.6 141 141 A V E - d 0 174A 2 32,-2.2 34,-1.9 -2,-0.4 2,-0.6 -0.901 16.1-153.3-127.2 96.5 61.4 25.1 47.0 142 142 A P E + d 0 175A 0 0, 0.0 2,-0.3 0, 0.0 34,-0.2 -0.639 36.7 134.8 -76.8 121.3 61.3 25.8 43.2 143 143 A V - 0 0 8 32,-1.9 2,-0.1 -2,-0.6 -121,-0.1 -0.922 55.0 -90.1-150.0 173.2 57.8 26.3 42.0 144 144 A G > - 0 0 8 -2,-0.3 3,-1.9 32,-0.2 4,-0.2 -0.382 54.9 -92.1 -81.5 166.5 55.6 28.5 39.8 145 145 A E G > S+ 0 0 69 36,-1.9 3,-1.8 1,-0.3 4,-0.3 0.760 117.8 72.3 -50.5 -32.2 53.9 31.5 41.3 146 146 A D G 3 S+ 0 0 45 35,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.625 94.6 54.3 -64.9 -15.9 50.6 29.6 42.2 147 147 A Q G <> S+ 0 0 30 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 0.421 79.2 97.3 -95.9 -1.0 52.5 27.7 45.0 148 148 A K H <> S+ 0 0 97 -3,-1.8 4,-2.0 1,-0.2 -1,-0.1 0.919 82.6 48.5 -55.9 -47.7 53.7 30.9 46.8 149 149 A Q H > S+ 0 0 58 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.862 109.8 51.4 -62.6 -41.9 50.8 31.0 49.3 150 150 A H H > S+ 0 0 4 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 110.2 49.2 -61.6 -39.3 51.3 27.3 50.3 151 151 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.868 107.6 55.0 -70.4 -31.4 55.0 27.9 50.9 152 152 A E H X S+ 0 0 93 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.945 110.1 46.8 -65.0 -44.6 54.1 31.1 53.0 153 153 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.908 110.2 53.5 -62.5 -42.2 51.8 28.7 55.2 154 154 A T H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.888 108.6 48.4 -59.0 -41.3 54.6 26.2 55.3 155 155 A R H X S+ 0 0 62 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.950 111.8 50.3 -63.9 -44.9 57.0 28.9 56.6 156 156 A D H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.886 112.2 47.7 -58.9 -46.7 54.4 30.0 59.2 157 157 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 -1,-0.2 0.897 110.9 49.9 -63.1 -41.4 54.0 26.3 60.4 158 158 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 11,-0.3 0.905 113.2 46.4 -64.4 -42.5 57.7 25.7 60.6 159 159 A E H X S+ 0 0 88 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.900 113.0 50.1 -65.2 -45.1 58.1 28.9 62.7 160 160 A R H X S+ 0 0 33 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.941 113.1 45.9 -58.9 -50.5 55.1 27.9 64.9 161 161 A F H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.4 0.930 112.9 50.2 -58.3 -46.6 56.5 24.4 65.5 162 162 A N H X S+ 0 0 23 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.866 111.4 48.3 -62.2 -37.0 60.0 25.8 66.2 163 163 A K H < S+ 0 0 171 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.877 118.2 40.2 -70.1 -43.8 58.7 28.4 68.7 164 164 A R H < S+ 0 0 105 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.845 131.3 18.5 -74.4 -38.0 56.6 25.8 70.6 165 165 A Y H < S- 0 0 81 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.458 115.7 -76.8-118.5 -4.1 58.9 22.8 70.6 166 166 A G < - 0 0 40 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.3 -0.114 63.7 -59.9 115.3 144.7 62.4 23.8 70.0 167 167 A E S S+ 0 0 176 1,-0.2 3,-0.1 -4,-0.1 -5,-0.1 -0.427 73.5 133.6 -62.1 116.1 64.3 24.9 66.8 168 168 A L + 0 0 37 -2,-0.4 2,-0.3 -10,-0.2 -1,-0.2 0.608 47.8 68.3-128.6 -44.5 64.1 21.9 64.4 169 169 A F - 0 0 2 -11,-0.3 2,-0.2 -33,-0.0 -1,-0.2 -0.682 69.0-130.8 -91.0 143.9 63.0 23.1 61.0 170 170 A T - 0 0 39 -2,-0.3 -32,-0.1 -36,-0.2 -33,-0.1 -0.599 34.0-118.3 -78.9 142.6 64.9 25.2 58.4 171 171 A I - 0 0 53 -2,-0.2 -16,-0.1 -34,-0.1 -1,-0.1 -0.797 36.5-142.3 -86.1 107.7 62.5 28.0 57.3 172 172 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.312 9.5-149.6 -72.3 157.2 62.2 27.1 53.5 173 173 A E E -d 140 0A 116 -34,-1.8 -32,-2.2 -2,-0.0 2,-0.1 -0.987 15.7-121.1-130.8 136.6 62.0 29.8 50.8 174 174 A A E -d 141 0A 27 -2,-0.4 2,-0.4 -34,-0.2 -29,-0.0 -0.381 16.0-153.8 -69.6 155.5 60.2 29.6 47.4 175 175 A R E -d 142 0A 84 -34,-1.9 -32,-1.9 -31,-0.1 -150,-0.1 -0.963 18.6-177.8-131.4 109.5 62.3 30.1 44.2 176 176 A I - 0 0 44 -2,-0.4 -32,-0.2 -34,-0.2 5,-0.1 -0.942 30.3-108.8-115.8 131.7 60.0 31.3 41.4 177 177 A P - 0 0 17 0, 0.0 4,-0.2 0, 0.0 -32,-0.1 -0.274 16.0-136.9 -57.9 147.8 61.2 31.9 37.8 178 178 A K S S+ 0 0 212 1,-0.2 2,-0.4 2,-0.1 3,-0.3 0.917 95.0 32.8 -71.2 -42.0 61.5 35.6 36.8 179 179 A V S S+ 0 0 49 1,-0.2 -1,-0.2 -159,-0.1 4,-0.1 -0.939 127.0 17.9-115.3 134.6 60.0 34.8 33.4 180 180 A G S S+ 0 0 3 -2,-0.4 3,-0.5 2,-0.1 -1,-0.2 0.743 72.8 135.0 81.8 20.6 57.4 32.1 33.0 181 181 A A S S+ 0 0 18 1,-0.3 -36,-1.9 -3,-0.3 -35,-0.5 0.738 85.7 23.5 -72.1 -18.7 56.4 31.8 36.8 182 182 A R S S- 0 0 106 -38,-0.2 -1,-0.3 -37,-0.1 2,-0.3 -0.625 77.9-165.5-150.7 84.7 52.8 31.8 35.6 183 183 A I - 0 0 6 -3,-0.5 10,-2.9 -2,-0.2 2,-0.2 -0.552 22.2-137.1 -72.7 132.8 52.2 30.6 32.0 184 184 A X B -F 192 0C 7 8,-0.3 8,-0.3 -2,-0.3 -1,-0.1 -0.520 22.1 -86.4 -96.8 161.4 48.6 31.6 30.9 185 185 A S - 0 0 1 6,-3.1 6,-0.2 3,-0.6 18,-0.2 -0.313 27.6-140.2 -59.4 143.0 45.9 29.8 29.0 186 186 A L S S+ 0 0 4 16,-1.8 35,-2.5 15,-0.2 16,-0.2 0.685 104.7 50.2 -78.0 -20.3 46.3 30.1 25.2 187 187 A V S S+ 0 0 56 1,-0.3 -1,-0.2 33,-0.2 15,-0.1 0.830 130.3 12.6 -86.7 -38.4 42.5 30.4 25.0 188 188 A D > - 0 0 55 3,-0.2 3,-2.0 14,-0.1 -3,-0.6 -0.812 67.1-167.7-142.8 96.0 42.1 33.2 27.7 189 189 A P T 3 S+ 0 0 11 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.349 82.8 70.0 -70.0 5.0 45.5 34.7 28.6 190 190 A T T 3 S+ 0 0 88 2,-0.1 2,-0.3 -6,-0.1 43,-0.0 0.492 96.4 68.2 -94.8 -4.9 44.0 36.4 31.7 191 191 A K S < S- 0 0 117 -3,-2.0 -6,-3.1 -6,-0.2 -3,-0.2 -0.881 93.8-104.0-114.1 147.0 43.7 33.0 33.2 192 192 A K B -F 184 0C 66 -2,-0.3 2,-0.6 -8,-0.3 -8,-0.3 -0.306 38.7-104.8 -64.2 147.6 46.4 30.6 34.3 193 193 A X - 0 0 3 -10,-2.9 2,-0.4 -8,-0.1 -10,-0.1 -0.622 50.0-165.8 -74.9 119.4 47.3 27.6 32.1 194 194 A S > - 0 0 32 -2,-0.6 3,-1.9 1,-0.1 8,-0.1 -0.932 33.9-138.9-120.2 138.5 45.7 24.7 33.9 195 195 A K T 3 S+ 0 0 68 -2,-0.4 -1,-0.1 1,-0.3 8,-0.1 0.606 108.2 47.4 -59.4 -21.1 46.0 20.9 33.8 196 196 A S T 3 S+ 0 0 90 -184,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.283 73.0 136.8-111.9 16.9 42.3 20.7 34.3 197 197 A D < - 0 0 42 -3,-1.9 6,-0.1 1,-0.2 5,-0.1 -0.374 53.2-140.1 -60.4 134.4 41.0 23.3 31.8 198 198 A P S S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.738 89.8 75.6 -69.8 -18.8 38.0 21.7 30.0 199 199 A N > - 0 0 65 1,-0.1 3,-2.3 2,-0.0 4,-0.4 -0.819 69.7-160.8 -97.9 106.4 39.3 23.3 26.8 200 200 A P G > S+ 0 0 66 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.699 88.6 66.8 -62.6 -15.3 42.3 21.2 25.5 201 201 A K G 3 S+ 0 0 76 1,-0.2 -15,-0.2 3,-0.1 -2,-0.0 0.601 85.9 72.8 -80.2 -9.6 43.3 24.2 23.4 202 202 A A G < S+ 0 0 0 -3,-2.3 -16,-1.8 -16,-0.2 2,-0.3 0.801 104.4 32.2 -69.9 -33.5 44.1 26.1 26.6 203 203 A Y < - 0 0 27 -3,-0.6 2,-0.5 -4,-0.4 -1,-0.1 -0.899 66.7-137.0-123.7 160.6 47.2 24.1 27.3 204 204 A I - 0 0 0 -2,-0.3 -188,-2.2 12,-0.0 -187,-0.3 -0.970 26.1-147.6-111.4 121.4 49.9 22.2 25.6 205 205 A T B > -E 15 0B 23 -2,-0.5 3,-1.8 -190,-0.3 -190,-0.3 -0.562 24.4-116.2 -80.3 158.0 50.7 18.9 27.2 206 206 A L T 3 S+ 0 0 1 -192,-2.4 78,-0.1 1,-0.3 -191,-0.1 0.651 117.5 52.8 -67.6 -12.4 54.3 17.5 27.2 207 207 A L T 3 S+ 0 0 67 -193,-0.3 -1,-0.3 76,-0.0 2,-0.2 0.310 78.0 127.0-104.8 9.7 52.9 14.6 25.0 208 208 A D < - 0 0 17 -3,-1.8 76,-0.1 1,-0.1 72,-0.0 -0.454 57.0-127.7 -68.5 137.1 51.2 16.8 22.3 209 209 A D > - 0 0 82 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.183 27.4 -97.8 -80.0 171.1 52.3 15.9 18.7 210 210 A A H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 123.0 48.9 -57.1 -46.9 53.6 18.4 16.2 211 211 A K H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 113.2 49.2 -61.8 -40.3 50.4 18.9 14.4 212 212 A T H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.936 110.3 49.5 -64.3 -45.2 48.6 19.4 17.7 213 213 A I H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.897 110.9 51.3 -58.6 -43.1 51.2 22.0 19.0 214 214 A E H X S+ 0 0 71 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.940 109.4 48.9 -61.4 -48.3 50.9 23.9 15.8 215 215 A K H X S+ 0 0 113 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 113.8 47.4 -55.2 -47.5 47.1 24.0 16.0 216 216 A K H X S+ 0 0 14 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.911 114.6 43.7 -66.2 -42.6 47.3 25.2 19.7 217 217 A I H >< S+ 0 0 0 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.2 0.931 113.9 51.1 -68.7 -42.5 49.9 27.9 19.1 218 218 A K H 3< S+ 0 0 97 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.932 111.2 47.1 -60.7 -45.2 48.2 29.2 16.0 219 219 A S H 3< S+ 0 0 65 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.568 82.9 130.5 -70.6 -12.7 44.8 29.5 17.6 220 220 A A << - 0 0 3 -3,-0.8 -33,-0.2 -4,-0.7 -34,-0.1 -0.196 67.3-111.3 -49.0 123.0 46.3 31.3 20.6 221 221 A V + 0 0 72 -35,-2.5 -1,-0.1 1,-0.1 -2,-0.1 -0.274 51.0 156.4 -58.9 132.8 44.3 34.4 21.3 222 222 A T - 0 0 41 15,-0.1 15,-0.3 -3,-0.1 2,-0.3 0.128 34.5-100.9-123.4-120.3 46.2 37.6 20.6 223 223 A D - 0 0 47 12,-0.1 3,-0.2 14,-0.1 -1,-0.1 -0.901 30.0 -97.1-159.7-175.8 45.1 41.2 19.8 224 224 A S S S+ 0 0 133 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.229 95.0 90.3-110.1 43.7 44.7 43.5 16.8 225 225 A E S S- 0 0 90 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.738 70.5-150.8-104.4 -34.5 48.0 45.3 17.1 226 226 A G + 0 0 39 -3,-0.2 2,-0.5 1,-0.2 36,-0.1 0.757 57.6 124.0 65.5 22.5 50.2 43.2 15.0 227 227 A T - 0 0 68 2,-0.1 2,-1.5 37,-0.1 -1,-0.2 -0.969 58.0-146.5-120.6 121.1 53.1 44.3 17.2 228 228 A I + 0 0 8 -2,-0.5 2,-0.3 35,-0.3 32,-0.2 -0.665 50.8 128.4 -87.1 88.0 55.2 41.7 19.0 229 229 A R - 0 0 92 -2,-1.5 2,-0.3 2,-0.1 -2,-0.1 -0.994 60.7-106.9-142.6 143.7 56.0 43.6 22.2 230 230 A Y + 0 0 78 -2,-0.3 2,-0.1 23,-0.1 -2,-0.0 -0.565 51.2 141.4 -75.5 132.0 55.7 42.6 25.9 231 231 A D > - 0 0 46 4,-0.5 4,-2.9 -2,-0.3 8,-0.3 -0.533 28.5-166.3-169.4 89.0 52.9 44.2 27.8 232 232 A K T 4 S+ 0 0 105 1,-0.2 8,-0.1 2,-0.2 7,-0.1 0.886 88.5 41.5 -47.7 -49.4 51.1 42.0 30.3 233 233 A E T 4 S+ 0 0 176 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.962 126.3 28.4 -67.0 -55.3 48.2 44.3 30.9 234 234 A A T 4 S+ 0 0 66 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.854 134.8 27.7 -76.9 -40.0 47.5 45.5 27.3 235 235 A K X + 0 0 2 -4,-2.9 4,-2.2 1,-0.1 -4,-0.5 -0.564 66.3 157.0-123.9 67.3 48.7 42.5 25.4 236 236 A P H > S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.895 74.6 51.2 -59.8 -42.2 48.2 39.5 27.7 237 237 A G H > S+ 0 0 5 -15,-0.3 4,-2.0 2,-0.2 5,-0.1 0.946 115.2 39.2 -61.7 -52.9 48.1 36.9 24.8 238 238 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 115.2 54.8 -66.2 -34.9 51.3 38.1 23.0 239 239 A S H X S+ 0 0 2 -4,-2.2 4,-2.0 -8,-0.3 -1,-0.2 0.912 108.3 47.7 -64.5 -44.5 53.1 38.6 26.3 240 240 A N H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.896 111.6 50.6 -64.6 -40.8 52.3 35.1 27.4 241 241 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.920 108.4 53.1 -64.4 -37.2 53.6 33.7 24.0 242 242 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.885 107.8 51.2 -64.2 -39.6 56.7 35.8 24.4 243 243 A N H X S+ 0 0 15 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.919 111.8 46.2 -64.1 -41.8 57.3 34.2 27.8 244 244 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.957 116.0 46.2 -63.6 -49.1 56.9 30.7 26.4 245 245 A Y H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.2 6,-0.4 0.961 114.3 47.6 -58.5 -50.0 59.2 31.6 23.5 246 246 A S H X S+ 0 0 13 -4,-3.2 4,-2.1 1,-0.2 5,-0.3 0.930 114.2 45.4 -58.3 -53.0 61.8 33.2 25.7 247 247 A T H < S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.917 117.9 41.5 -60.9 -44.6 61.9 30.4 28.3 248 248 A L H < S+ 0 0 27 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.853 122.5 38.5 -73.7 -34.6 62.1 27.6 25.8 249 249 A S H < S- 0 0 43 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.692 98.8-127.2 -87.3 -25.0 64.5 29.2 23.4 250 250 A G < + 0 0 65 -4,-2.1 2,-0.3 1,-0.3 -3,-0.1 0.468 66.9 130.6 88.2 1.0 66.8 30.9 25.9 251 251 A Q - 0 0 55 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.690 60.5-116.0 -88.7 142.1 66.4 34.2 24.1 252 252 A S > - 0 0 46 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.285 23.2-112.5 -70.4 161.4 65.5 37.3 26.2 253 253 A I H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 121.4 53.2 -59.9 -40.2 62.2 39.0 25.7 254 254 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.935 106.3 51.2 -60.4 -48.4 64.2 42.0 24.4 255 255 A E H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.947 112.4 47.2 -54.2 -50.6 66.1 39.8 21.8 256 256 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.851 109.0 53.1 -60.7 -39.6 62.7 38.4 20.6 257 257 A E H < S+ 0 0 49 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.896 113.0 44.6 -63.4 -40.6 61.1 41.8 20.3 258 258 A R H >< S+ 0 0 143 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.952 111.6 52.9 -67.0 -47.8 64.0 43.0 18.2 259 259 A Q H 3< S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 115.4 40.4 -55.8 -36.1 64.0 39.9 16.1 260 260 A Y T >< S+ 0 0 2 -4,-1.8 3,-2.9 -5,-0.2 -32,-0.3 0.298 79.1 140.1-100.7 10.7 60.3 40.3 15.3 261 261 A E T < S+ 0 0 154 -3,-1.6 3,-0.1 1,-0.3 -3,-0.1 -0.294 81.9 6.7 -54.7 124.5 60.4 44.1 14.8 262 262 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -36,-0.1 2,-0.2 0.441 107.1 116.3 79.6 -2.0 58.1 44.8 11.9 263 263 A K < - 0 0 81 -3,-2.9 -35,-0.3 -35,-0.1 -1,-0.2 -0.564 59.2-122.3 -99.2 163.6 56.8 41.2 11.6 264 264 A G > - 0 0 35 -2,-0.2 4,-1.5 -3,-0.1 3,-0.2 -0.464 27.2-102.1 -97.6 176.2 53.3 39.9 12.1 265 265 A Y H > S+ 0 0 26 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.743 111.5 67.9 -67.8 -26.8 51.8 37.3 14.5 266 266 A G H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.959 106.1 36.5 -60.6 -55.4 51.7 34.6 11.8 267 267 A V H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 116.7 55.3 -64.9 -40.1 55.4 34.1 11.4 268 268 A F H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.937 111.6 43.6 -56.8 -48.2 55.9 34.6 15.1 269 269 A K H X S+ 0 0 24 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.912 112.2 52.3 -65.0 -44.4 53.4 31.8 15.9 270 270 A A H X S+ 0 0 40 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.929 113.8 44.0 -58.4 -42.3 54.8 29.5 13.2 271 271 A D H X S+ 0 0 54 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.880 112.8 51.3 -70.4 -42.3 58.3 29.9 14.6 272 272 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.907 106.9 54.2 -61.7 -41.8 57.2 29.5 18.3 273 273 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.893 108.0 50.3 -59.2 -40.7 55.3 26.3 17.4 274 274 A Q H X S+ 0 0 82 -4,-1.4 4,-2.8 -5,-0.2 -1,-0.2 0.889 107.9 52.6 -64.7 -39.5 58.6 25.0 16.0 275 275 A V H X S+ 0 0 16 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.952 111.4 47.5 -63.0 -42.3 60.5 26.0 19.2 276 276 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.938 112.7 48.2 -65.1 -39.9 57.8 24.0 21.2 277 277 A I H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.914 109.8 51.9 -63.1 -44.7 58.1 21.0 18.9 278 278 A E H < S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.831 113.8 46.2 -62.5 -33.4 62.0 21.1 19.1 279 279 A T H X S+ 0 0 25 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.926 118.2 38.6 -71.9 -52.3 61.6 21.1 22.9 280 280 A L H X S+ 0 0 3 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.801 100.0 71.7 -76.5 -30.3 59.0 18.3 23.3 281 281 A R H X S+ 0 0 129 -4,-2.8 4,-2.1 -5,-0.3 5,-0.2 0.948 102.1 41.5 -54.1 -51.2 60.1 15.9 20.6 282 282 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.906 115.2 53.9 -66.0 -35.5 63.3 14.6 22.5 283 283 A I H X S+ 0 0 3 -4,-0.9 4,-3.0 1,-0.2 -2,-0.2 0.961 108.5 48.5 -61.6 -48.9 61.4 14.6 25.8 284 284 A Q H X S+ 0 0 23 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.903 109.6 51.9 -59.7 -38.1 58.7 12.4 24.2 285 285 A E H X S+ 0 0 99 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.945 112.8 43.7 -65.8 -40.9 61.2 10.0 22.8 286 286 A R H X S+ 0 0 110 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.915 109.9 59.4 -69.9 -37.8 62.9 9.5 26.2 287 287 A Y H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.926 105.0 47.5 -55.5 -48.2 59.5 9.3 27.8 288 288 A H H X S+ 0 0 83 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.901 109.6 54.0 -62.7 -38.3 58.5 6.3 25.8 289 289 A H H >< S+ 0 0 127 -4,-1.5 3,-0.6 -5,-0.2 4,-0.3 0.954 110.8 45.7 -60.0 -49.2 61.8 4.6 26.5 290 290 A W H >< S+ 0 0 52 -4,-2.6 3,-1.5 1,-0.2 6,-0.4 0.905 108.0 57.4 -60.7 -39.6 61.3 5.0 30.3 291 291 A X H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.9 43.9 -62.1 -27.0 57.7 3.8 30.0 292 292 A E T << S+ 0 0 160 -4,-1.3 2,-0.3 -3,-0.6 -1,-0.3 0.362 100.9 92.8 -98.9 5.2 58.9 0.6 28.4 293 293 A S X - 0 0 22 -3,-1.5 3,-0.7 -4,-0.3 4,-0.4 -0.788 64.2-149.3-107.8 147.0 61.8 0.0 30.8 294 294 A E T >> S+ 0 0 136 -2,-0.3 4,-1.3 1,-0.2 3,-0.5 0.693 96.2 75.9 -77.0 -18.1 62.1 -1.9 34.1 295 295 A E H 3> S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.785 80.3 69.0 -64.4 -26.9 64.7 0.8 35.1 296 296 A L H <> S+ 0 0 0 -3,-0.7 4,-1.8 -6,-0.4 -1,-0.2 0.951 103.0 43.9 -55.6 -48.6 61.9 3.3 35.8 297 297 A D H <> S+ 0 0 66 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.847 111.0 55.4 -64.5 -37.5 60.8 1.2 38.8 298 298 A R H X S+ 0 0 124 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.927 106.6 49.7 -62.7 -41.8 64.5 0.8 39.9 299 299 A V H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -222,-0.3 0.906 113.3 46.0 -61.3 -45.7 65.0 4.5 40.0 300 300 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.2 -221,-0.3 0.839 109.9 54.7 -68.7 -34.7 61.8 5.0 42.1 301 301 A D H X S+ 0 0 100 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 111.1 45.1 -61.6 -50.5 62.8 2.2 44.4 302 302 A E H X S+ 0 0 147 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.869 112.0 51.9 -61.3 -36.6 66.2 3.9 45.0 303 303 A G H X S+ 0 0 4 -4,-2.1 4,-2.8 -226,-0.3 5,-0.2 0.909 109.3 48.4 -68.8 -44.6 64.6 7.3 45.5 304 304 A A H X S+ 0 0 8 -4,-2.3 4,-3.0 -227,-0.2 -1,-0.2 0.867 108.9 56.2 -64.9 -35.2 62.0 6.0 48.1 305 305 A E H X S+ 0 0 98 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.947 113.3 39.1 -58.9 -48.5 64.9 4.3 50.0 306 306 A K H X S+ 0 0 62 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.910 116.5 49.5 -67.8 -47.8 66.8 7.5 50.3 307 307 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.885 109.8 52.7 -58.3 -44.0 63.8 9.7 51.0 308 308 A N H X S+ 0 0 47 -4,-3.0 4,-2.2 -5,-0.2 5,-0.3 0.885 106.9 53.0 -61.4 -39.5 62.6 7.2 53.7 309 309 A R H X S+ 0 0 135 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.955 118.1 35.8 -60.6 -48.7 66.1 7.3 55.5 310 310 A V H X S+ 0 0 44 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.925 120.5 45.1 -72.2 -48.7 66.0 11.1 55.7 311 311 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -3,-0.2 0.886 109.3 54.6 -67.5 -38.3 62.3 11.6 56.3 312 312 A S H X S+ 0 0 61 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.838 107.9 51.4 -64.0 -35.0 61.9 8.9 58.9 313 313 A E H X S+ 0 0 65 -4,-1.0 4,-2.1 -5,-0.3 -1,-0.2 0.908 109.5 49.1 -69.3 -40.1 64.7 10.5 61.0 314 314 A X H X S+ 0 0 16 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.854 108.6 54.0 -67.2 -35.1 63.1 13.9 60.9 315 315 A V H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.911 106.2 52.4 -65.4 -40.9 59.8 12.3 62.0 316 316 A R H X S+ 0 0 111 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.937 111.4 47.1 -57.3 -48.1 61.6 10.8 65.0 317 317 A K H X S+ 0 0 78 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.889 110.7 51.6 -62.1 -41.7 62.9 14.3 65.9 318 318 A X H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.935 111.8 46.1 -61.9 -45.8 59.5 15.8 65.5 319 319 A E H X>S+ 0 0 60 -4,-2.7 5,-2.0 1,-0.2 4,-1.2 0.870 111.3 52.5 -63.6 -40.1 57.9 13.2 67.8 320 320 A Q H <5S+ 0 0 133 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.925 109.6 50.5 -61.6 -43.0 60.7 13.7 70.3 321 321 A A H <5S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 116.5 38.5 -63.6 -39.6 60.0 17.4 70.3 322 322 A X H <5S- 0 0 56 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.522 112.6-117.4 -86.8 -12.4 56.2 17.0 70.8 323 323 A G T <5 + 0 0 61 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.1 0.669 58.9 154.6 81.5 19.8 56.7 14.1 73.3 324 324 A L < - 0 0 89 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.443 56.0 -8.2 -70.5 155.1 54.8 11.5 71.2 325 325 A G 0 0 70 -2,-0.1 -5,-0.0 -5,-0.0 0, 0.0 -0.335 360.0 360.0 68.5-137.5 55.8 7.9 71.7 326 326 A R 0 0 304 -2,-0.1 -3,-0.1 0, 0.0 -2,-0.0 -0.815 360.0 360.0-135.5 360.0 58.7 7.0 73.9