==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-JUN-99 1QQT . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.MECHULAM,E.SCHMITT,L.MAVEYRAUD,C.ZELWER,O.NUREKI, . 546 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.2 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 . 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 . 31 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.5 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 1 1 1 1 2 2 1 3 1 1 0 1 1 0 1 2 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 3 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 . 6 3 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 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 3 A V 0 0 145 0, 0.0 2,-0.8 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0-143.8 -18.9 8.2 33.1 2 4 A A - 0 0 78 39,-0.1 39,-0.1 38,-0.0 38,-0.1 -0.859 360.0-154.3 -99.8 108.9 -16.1 5.7 32.2 3 5 A K - 0 0 67 -2,-0.8 39,-3.0 282,-0.0 2,-0.6 -0.279 14.3-129.0 -81.2 164.4 -13.8 7.3 29.6 4 6 A K E -a 42 0A 70 280,-0.3 282,-3.4 37,-0.2 2,-0.4 -0.973 35.6-175.2-112.5 117.3 -11.6 5.7 27.0 5 7 A I E -ab 43 286A 0 37,-3.6 39,-2.7 -2,-0.6 2,-0.5 -0.958 20.8-169.0-126.5 135.7 -8.1 7.1 27.3 6 8 A L E -ab 44 287A 2 280,-3.1 282,-2.9 -2,-0.4 2,-0.4 -0.981 15.6-176.7-119.0 121.8 -4.9 6.6 25.3 7 9 A V E -ab 45 288A 0 37,-3.1 39,-3.2 -2,-0.5 2,-0.3 -0.951 1.8-179.7-122.2 139.6 -1.7 8.0 26.9 8 10 A T E -ab 46 289A 0 280,-1.9 282,-2.1 -2,-0.4 2,-0.3 -0.867 18.2-147.5-131.9 167.2 1.7 8.0 25.5 9 11 A C E - b 0 290A 0 37,-0.9 39,-0.2 -2,-0.3 282,-0.2 -0.923 47.0 -83.8-127.6 150.5 5.2 9.2 26.5 10 12 A A - 0 0 16 280,-1.0 38,-0.1 -2,-0.3 281,-0.0 -0.239 54.8-100.5 -54.5 146.7 7.7 10.5 23.9 11 13 A L - 0 0 25 36,-0.1 38,-0.2 38,-0.1 -1,-0.1 -0.579 34.4-126.6 -75.7 121.5 9.6 7.7 22.1 12 14 A P - 0 0 14 0, 0.0 38,-3.2 0, 0.0 2,-0.3 -0.423 28.5-107.7 -68.0 141.8 13.1 7.1 23.5 13 15 A Y B -e 50 0B 85 36,-0.2 3,-0.4 1,-0.1 38,-0.2 -0.546 20.1-137.4 -70.6 129.7 15.8 7.2 20.9 14 16 A A S S+ 0 0 0 36,-2.5 2,-0.4 -2,-0.3 -1,-0.1 0.633 95.1 72.1 -63.3 -14.6 17.1 3.7 20.3 15 17 A N S S+ 0 0 42 35,-0.3 2,-0.3 2,-0.0 -1,-0.3 -0.282 96.8 46.0 -98.9 49.1 20.7 5.0 20.2 16 18 A G S S- 0 0 32 -2,-0.4 2,-0.1 -3,-0.4 62,-0.1 -0.899 78.5-104.3 179.3 150.6 21.0 5.8 23.9 17 19 A S - 0 0 40 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.476 43.4-103.8 -81.9 154.4 20.4 4.5 27.5 18 20 A I - 0 0 1 -2,-0.1 323,-2.6 -6,-0.1 324,-0.5 -0.619 42.7-172.7 -78.5 132.6 17.6 5.8 29.6 19 21 A H B >> -F 340 0C 38 -2,-0.3 4,-1.9 321,-0.3 3,-0.5 -0.657 42.9 -89.6-117.8 177.9 18.7 8.2 32.3 20 22 A L H 3> S+ 0 0 0 319,-2.6 4,-1.0 1,-0.2 320,-0.1 0.698 123.4 63.1 -60.8 -21.5 17.0 9.9 35.2 21 23 A G H >> S+ 0 0 16 318,-0.2 4,-0.7 2,-0.2 3,-0.5 0.936 106.0 43.9 -68.1 -45.7 16.0 12.8 33.0 22 24 A H H X> S+ 0 0 68 -3,-0.5 4,-1.5 1,-0.2 3,-0.8 0.889 105.6 63.3 -64.6 -40.3 13.9 10.4 30.9 23 25 A M H 3X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.795 89.9 67.3 -56.8 -31.5 12.4 8.7 33.9 24 26 A L H S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 3,-0.3 0.866 109.9 50.6 -61.5 -37.8 -7.1 6.9 36.0 37 39 A R H ><5S+ 0 0 78 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.894 106.1 56.0 -66.3 -39.3 -7.2 3.1 36.1 38 40 A M H 3<5S+ 0 0 40 -4,-1.7 472,-0.4 1,-0.3 473,-0.3 0.752 102.5 56.6 -63.6 -25.3 -8.1 3.3 39.8 39 41 A R T 3<5S- 0 0 99 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.377 121.8-107.2 -88.2 3.0 -11.1 5.5 38.8 40 42 A G T < 5 + 0 0 56 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.504 69.3 142.6 88.7 5.3 -12.4 2.8 36.5 41 43 A H < - 0 0 30 -5,-1.7 2,-0.9 -39,-0.1 -1,-0.2 -0.352 59.7-108.7 -78.1 159.7 -11.6 4.3 33.1 42 44 A E E -a 4 0A 77 -39,-3.0 -37,-3.6 -2,-0.1 2,-0.4 -0.804 48.1-176.0 -88.6 109.0 -10.4 2.3 30.1 43 45 A V E -a 5 0A 12 -2,-0.9 2,-0.5 -39,-0.2 -37,-0.2 -0.906 21.5-169.5-115.9 136.8 -6.8 3.3 29.8 44 46 A N E -a 6 0A 3 -39,-2.7 -37,-3.1 -2,-0.4 2,-0.7 -0.977 8.7-163.8-123.7 113.9 -4.2 2.3 27.2 45 47 A F E -a 7 0A 0 -2,-0.5 45,-3.0 43,-0.2 46,-1.2 -0.895 20.2-179.7-101.8 113.2 -0.6 3.4 28.2 46 48 A I E +ac 8 91A 0 -39,-3.2 -37,-0.9 -2,-0.7 2,-0.3 -0.864 15.2 145.4-123.3 147.9 1.6 3.2 25.1 47 49 A C E - c 0 92A 0 44,-1.6 46,-2.1 -2,-0.3 2,-0.3 -0.924 12.3-177.7-158.8-178.7 5.2 3.9 24.0 48 50 A A E - c 0 93A 0 44,-0.3 2,-0.3 -2,-0.3 46,-0.3 -0.948 34.5 -88.2-178.0 163.3 7.9 2.6 21.7 49 51 A D E - c 0 94A 1 44,-1.9 46,-2.0 -2,-0.3 2,-1.1 -0.681 29.6-131.7 -88.3 140.1 11.6 3.1 20.7 50 52 A D B +e 13 0B 29 -38,-3.2 -36,-2.5 -2,-0.3 -35,-0.3 -0.793 40.6 166.7 -88.4 97.5 12.4 5.7 18.0 51 53 A A + 0 0 0 -2,-1.1 2,-0.2 -38,-0.2 -1,-0.1 0.259 33.6 85.6-105.7 14.0 14.7 3.3 15.9 52 54 A H + 0 0 2 4,-0.1 185,-0.2 19,-0.0 4,-0.1 -0.622 47.8 85.7-110.6 170.8 15.3 4.9 12.5 53 55 A G S > S- 0 0 4 183,-2.4 4,-2.2 -2,-0.2 5,-0.1 -0.322 76.7 -84.5 123.7 155.8 17.9 7.4 11.2 54 56 A T H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.913 122.0 57.5 -60.8 -44.8 21.3 7.9 9.8 55 57 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.918 109.1 46.4 -53.4 -43.8 22.9 8.0 13.3 56 58 A I H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.935 112.2 50.3 -62.8 -47.4 21.5 4.6 14.0 57 59 A M H X S+ 0 0 11 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.853 113.8 44.8 -59.8 -38.7 22.6 3.2 10.6 58 60 A L H X S+ 0 0 19 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.904 110.4 51.5 -75.2 -44.0 26.2 4.4 11.1 59 61 A K H X S+ 0 0 63 -4,-2.4 4,-1.6 -5,-0.3 6,-0.2 0.892 111.8 49.9 -60.1 -38.8 26.6 3.3 14.7 60 62 A A H X>S+ 0 0 0 -4,-2.0 5,-1.4 -5,-0.2 4,-1.0 0.940 113.2 44.6 -64.3 -48.7 25.5 -0.1 13.6 61 63 A Q H ><5S+ 0 0 125 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.926 111.6 53.1 -60.7 -47.7 27.9 -0.3 10.7 62 64 A Q H 3<5S+ 0 0 154 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 111.4 47.5 -57.1 -34.8 30.7 1.1 12.8 63 65 A L H 3<5S- 0 0 106 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.645 111.2-121.5 -82.8 -17.3 30.0 -1.7 15.3 64 66 A G T <<5S+ 0 0 68 -4,-1.0 2,-0.2 -3,-0.8 -3,-0.2 0.461 77.0 103.6 91.4 -0.5 29.9 -4.4 12.7 65 67 A I S > - 0 0 70 -2,-0.2 4,-2.4 1,-0.1 3,-0.7 -0.431 27.7-122.8 -76.4 151.4 23.1 -4.9 11.6 67 69 A P H 3> S+ 0 0 24 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.910 114.9 60.1 -58.4 -38.6 20.9 -2.0 12.7 68 70 A E H 3> S+ 0 0 107 1,-0.2 4,-0.7 2,-0.2 28,-0.0 0.836 109.1 43.1 -57.0 -34.1 18.1 -4.5 13.2 69 71 A Q H <> S+ 0 0 112 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.875 113.5 50.5 -80.4 -39.4 20.3 -6.2 15.8 70 72 A M H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.948 113.4 43.2 -63.2 -51.2 21.5 -3.0 17.4 71 73 A I H X S+ 0 0 13 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.774 109.8 60.0 -67.1 -25.8 18.0 -1.5 17.9 72 74 A G H X S+ 0 0 39 -4,-0.7 4,-1.5 -5,-0.4 -1,-0.2 0.899 108.1 43.0 -68.6 -39.6 16.8 -4.9 19.0 73 75 A E H X S+ 0 0 132 -4,-1.7 4,-2.0 -3,-0.2 -2,-0.2 0.886 113.6 50.8 -72.3 -41.0 19.2 -4.9 21.9 74 76 A M H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.861 107.1 56.0 -65.2 -34.3 18.6 -1.3 22.8 75 77 A S H X S+ 0 0 22 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.912 108.5 46.0 -64.3 -42.9 14.9 -2.0 22.9 76 78 A Q H X S+ 0 0 110 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.873 111.5 52.6 -68.3 -36.3 15.3 -4.8 25.4 77 79 A E H X S+ 0 0 71 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.939 111.1 46.7 -63.5 -46.9 17.6 -2.6 27.5 78 80 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 112.2 49.8 -61.3 -45.3 15.0 0.2 27.6 79 81 A Q H X S+ 0 0 63 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.832 107.7 54.7 -65.2 -31.6 12.2 -2.1 28.4 80 82 A T H X S+ 0 0 83 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.913 109.7 47.1 -67.7 -41.0 14.2 -3.7 31.2 81 83 A D H X S+ 0 0 7 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.914 113.1 47.5 -66.8 -43.5 14.7 -0.2 32.8 82 84 A F H <>S+ 0 0 4 -4,-2.4 5,-2.7 2,-0.2 3,-0.2 0.891 112.1 49.2 -66.5 -38.7 11.0 0.8 32.5 83 85 A A H ><5S+ 0 0 63 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.906 107.2 57.3 -65.6 -38.9 9.9 -2.5 33.9 84 86 A G H 3<5S+ 0 0 26 -4,-2.0 266,-0.3 1,-0.3 -1,-0.2 0.815 109.1 44.6 -60.6 -31.1 12.4 -1.9 36.8 85 87 A F T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.321 116.5-116.4 -95.5 8.0 10.7 1.4 37.5 86 88 A N T < 5 + 0 0 31 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.859 48.3 171.2 61.6 38.6 7.2 -0.2 37.3 87 89 A I < - 0 0 11 -5,-2.7 2,-1.9 -6,-0.1 -1,-0.2 -0.749 29.5-142.6 -80.7 111.1 6.1 1.9 34.3 88 90 A S + 0 0 24 -2,-0.9 -43,-0.2 -3,-0.1 -1,-0.1 -0.254 29.8 173.7 -76.5 52.4 2.9 0.0 33.5 89 91 A Y - 0 0 36 -2,-1.9 -43,-0.2 1,-0.2 3,-0.2 -0.300 28.6-155.2 -60.8 137.2 2.9 0.1 29.7 90 92 A D S S+ 0 0 51 -45,-3.0 2,-0.3 1,-0.3 -44,-0.2 0.749 84.4 4.1 -82.5 -24.6 0.2 -1.8 28.0 91 93 A N E -c 46 0A 14 -46,-1.2 -44,-1.6 2,-0.0 2,-0.5 -0.940 56.2-168.2-162.0 137.4 2.5 -2.0 25.0 92 94 A Y E +c 47 0A 22 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.1 -0.960 29.5 157.0-128.5 109.6 6.0 -1.0 24.1 93 95 A H E -c 48 0A 32 -46,-2.1 -44,-1.9 -2,-0.5 2,-0.3 -0.030 32.4-110.9-111.1-147.6 6.7 -1.3 20.4 94 96 A S E -c 49 0A 21 -46,-0.3 6,-0.3 163,-0.1 -44,-0.2 -0.990 16.5-127.1-153.3 151.1 9.1 0.2 17.8 95 97 A T S S+ 0 0 0 -46,-2.0 2,-1.5 -2,-0.3 -45,-0.1 0.725 103.6 76.3 -71.5 -20.0 9.0 2.6 14.8 96 98 A H S S+ 0 0 51 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.645 78.2 104.9 -91.8 78.2 10.7 -0.2 12.9 97 99 A S S > S- 0 0 15 -2,-1.5 4,-2.0 1,-0.1 5,-0.1 -0.966 82.9-109.9-151.0 163.1 7.7 -2.4 12.5 98 100 A E H > S+ 0 0 109 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.849 117.6 57.8 -65.4 -34.3 5.2 -3.4 9.9 99 101 A E H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 107.9 46.1 -62.1 -46.3 2.5 -1.4 11.7 100 102 A N H > S+ 0 0 0 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.887 111.8 51.2 -63.7 -40.7 4.6 1.8 11.4 101 103 A R H X S+ 0 0 88 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.960 111.5 47.0 -61.5 -50.9 5.4 1.2 7.7 102 104 A Q H X S+ 0 0 79 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 116.1 44.4 -56.2 -47.2 1.7 0.6 6.8 103 105 A L H X S+ 0 0 11 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.831 110.9 53.3 -69.3 -34.2 0.6 3.7 8.8 104 106 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.912 112.9 44.8 -67.5 -40.4 3.4 5.9 7.4 105 107 A E H X S+ 0 0 68 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.917 113.8 49.7 -68.8 -42.9 2.5 5.0 3.9 106 108 A L H X S+ 0 0 62 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.950 115.1 42.8 -61.1 -50.5 -1.3 5.4 4.5 107 109 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.925 114.6 49.8 -63.2 -45.8 -0.8 8.8 6.1 108 110 A Y H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.940 110.2 52.3 -57.8 -47.0 1.7 10.0 3.4 109 111 A S H X S+ 0 0 54 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.917 110.8 46.1 -54.2 -49.4 -0.7 8.8 0.7 110 112 A R H X S+ 0 0 88 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.909 112.3 49.9 -62.3 -44.8 -3.6 10.8 2.1 111 113 A L H <>S+ 0 0 0 -4,-2.5 5,-3.2 2,-0.2 6,-0.4 0.906 113.1 47.3 -61.0 -42.8 -1.5 13.9 2.6 112 114 A K H ><5S+ 0 0 90 -4,-2.7 3,-1.9 3,-0.2 5,-0.3 0.952 111.8 49.7 -63.5 -50.1 -0.2 13.7 -0.9 113 115 A E H 3<5S+ 0 0 165 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.905 110.1 50.7 -53.9 -46.6 -3.7 13.1 -2.3 114 116 A N T 3<5S- 0 0 86 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.414 120.2-112.9 -75.7 3.4 -5.0 16.1 -0.4 115 117 A G T < 5S+ 0 0 35 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.760 80.1 125.3 73.3 28.7 -2.2 18.2 -1.8 116 118 A F < + 0 0 46 -5,-3.2 75,-2.9 -6,-0.2 2,-0.5 0.349 51.3 85.6 -99.3 5.5 -0.2 18.8 1.4 117 119 A I E -G 190 0D 14 -6,-0.4 2,-0.4 -5,-0.3 73,-0.2 -0.928 59.1-169.1-111.0 128.7 3.1 17.4 0.0 118 120 A K E -G 189 0D 77 71,-2.9 71,-3.4 -2,-0.5 2,-0.4 -0.917 15.5-134.7-120.3 143.5 5.4 19.6 -1.9 119 121 A N E +G 188 0D 88 -2,-0.4 2,-0.3 69,-0.2 69,-0.2 -0.765 28.7 168.2 -95.6 139.5 8.5 18.8 -3.9 120 122 A R E -G 187 0D 120 67,-2.4 67,-2.8 -2,-0.4 2,-0.4 -0.943 29.0-136.4-155.0 127.5 11.6 20.9 -3.6 121 123 A T E -G 186 0D 77 -2,-0.3 2,-0.3 65,-0.3 65,-0.2 -0.702 30.5-176.6 -85.5 134.3 15.2 20.4 -4.7 122 124 A I E -G 185 0D 45 63,-2.7 63,-1.5 -2,-0.4 2,-0.4 -0.808 21.4-126.3-126.7 168.1 17.8 21.3 -2.1 123 125 A S E +G 184 0D 78 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.957 33.1 162.7-119.1 135.0 21.6 21.4 -1.9 124 126 A Q E -G 183 0D 44 59,-2.3 59,-1.0 -2,-0.4 57,-0.1 -0.996 45.5 -88.0-151.0 153.4 23.6 19.6 0.7 125 127 A L E -G 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237 A Y - 0 0 18 -2,-0.1 2,-0.9 2,-0.1 -181,-0.1 -0.992 57.6-126.8-156.0 150.1 19.2 5.3 5.1 236 238 A F S S+ 0 0 18 -2,-0.3 -183,-2.4 2,-0.0 2,-0.3 -0.854 76.8 60.8-104.2 100.2 17.8 3.1 7.8 237 239 A G S S- 0 0 14 -2,-0.9 2,-0.4 -185,-0.2 -2,-0.1 -0.937 90.8 -43.2 177.0-157.9 14.0 3.5 7.7 238 240 A F - 0 0 18 10,-0.3 10,-2.7 -2,-0.3 2,-0.1 -0.817 51.9-120.6-103.3 137.9 11.0 3.0 5.4 239 241 A E B -N 247 0G 92 -2,-0.4 8,-0.3 8,-0.2 3,-0.0 -0.452 27.7-114.4 -74.6 144.5 11.0 4.0 1.7 240 242 A I > - 0 0 4 6,-2.6 3,-1.7 3,-0.5 6,-0.2 -0.620 37.5-105.4 -79.7 133.1 8.5 6.5 0.4 241 243 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.323 101.3 6.7 -59.8 137.2 6.0 5.0 -2.0 242 244 A N T 3 S+ 0 0 157 1,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.664 111.5 93.5 65.8 17.8 6.6 6.0 -5.7 243 245 A A X - 0 0 9 -3,-1.7 3,-2.2 3,-0.2 -3,-0.5 -0.574 64.7-159.0-140.2 72.2 9.9 7.7 -4.7 244 246 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -11,-0.0 -0.258 80.0 19.7 -54.2 133.7 12.7 5.2 -5.2 245 247 A G T 3 S+ 0 0 26 1,-0.3 -12,-1.6 -13,-0.1 2,-0.4 0.234 102.8 108.3 90.5 -13.9 15.8 6.2 -3.1 246 248 A K E < -M 232 0G 30 -3,-2.2 -6,-2.6 -6,-0.2 2,-0.3 -0.803 48.5-168.1-101.4 139.8 13.7 8.4 -0.8 247 249 A Y E -MN 231 239G 43 -16,-3.5 -16,-1.9 -2,-0.4 2,-0.4 -0.862 31.0 -97.4-124.4 158.1 13.0 7.5 2.8 248 250 A F E -M 230 0G 0 -10,-2.7 -10,-0.3 -2,-0.3 -18,-0.3 -0.603 39.3-137.4 -75.4 125.9 10.6 8.9 5.4 249 251 A Y >> - 0 0 52 -20,-2.7 4,-1.6 -2,-0.4 3,-1.2 -0.381 28.5-101.5 -76.1 163.8 12.5 11.2 7.7 250 252 A V H 3> S+ 0 0 26 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.824 113.9 74.8 -58.8 -34.5 11.8 10.9 11.5 251 253 A W H 34 S+ 0 0 87 -23,-0.2 -1,-0.3 1,-0.2 -22,-0.1 0.886 110.7 31.3 -44.1 -42.3 9.5 14.0 11.6 252 254 A L H <> S+ 0 0 1 -3,-1.2 4,-0.9 -23,-0.1 -2,-0.2 0.958 124.6 38.5 -83.8 -56.2 7.0 11.7 9.9 253 255 A D H X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 -3,-0.2 0.742 105.8 64.0 -73.6 -24.0 7.6 8.1 11.1 254 256 A A H >< S+ 0 0 15 -4,-2.6 3,-1.6 -5,-0.2 4,-0.3 0.976 106.3 40.8 -65.9 -54.9 8.5 8.8 14.8 255 257 A P H >> S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.794 105.4 66.5 -65.0 -24.2 5.1 10.2 15.9 256 258 A I H >X S+ 0 0 0 -4,-0.9 4,-3.3 1,-0.3 3,-0.5 0.787 85.3 75.7 -63.7 -23.4 3.4 7.5 13.8 257 259 A G H S+ 0 0 5 -3,-1.7 4,-1.2 -4,-0.3 -1,-0.3 0.938 112.8 36.8 -62.3 -44.5 2.2 6.3 18.7 259 261 A M H S+ 0 0 2 -4,-2.3 5,-3.3 2,-0.2 4,-0.4 0.903 111.6 50.1 -64.1 -42.0 -5.0 -4.1 19.2 267 269 A D H ><5S+ 0 0 83 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.919 109.1 51.9 -62.6 -43.9 -3.7 -6.8 16.8 268 270 A K H 3<5S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.872 112.3 45.7 -60.1 -39.0 -2.2 -8.7 19.8 269 271 A R T 3<5S- 0 0 125 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.477 112.1-121.6 -82.9 -2.9 -5.6 -8.6 21.6 270 272 A G T < 5 + 0 0 67 -3,-1.2 2,-0.7 -4,-0.4 -3,-0.2 0.843 61.5 152.7 64.3 30.2 -7.4 -9.6 18.4 271 273 A D < + 0 0 41 -5,-3.3 4,-0.3 -6,-0.2 -1,-0.3 -0.856 22.4 175.3 -98.5 114.9 -9.3 -6.4 18.8 272 274 A S S S+ 0 0 116 -2,-0.7 4,-0.2 -3,-0.1 -1,-0.1 0.403 72.7 48.7 -99.9 2.0 -10.5 -5.1 15.4 273 275 A V S > S+ 0 0 78 -7,-0.1 4,-1.7 2,-0.1 5,-0.1 0.745 90.3 70.7-112.3 -29.6 -12.6 -2.1 16.6 274 276 A S H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.854 88.3 61.3 -60.2 -43.9 -10.5 -0.1 19.0 275 277 A F H > S+ 0 0 29 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.952 112.1 38.5 -51.3 -54.7 -7.9 1.4 16.7 276 278 A D H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 112.5 58.3 -63.5 -38.0 -10.6 3.3 14.6 277 279 A E H < S+ 0 0 70 -4,-1.7 8,-0.6 1,-0.2 7,-0.4 0.877 116.0 35.7 -58.1 -38.6 -12.5 4.1 17.8 278 280 A Y H < S+ 0 0 2 -4,-2.6 -2,-0.2 -3,-0.2 -1,-0.2 0.791 127.8 32.5 -86.6 -31.8 -9.5 5.8 19.2 279 281 A W H < S+ 0 0 1 -4,-2.5 34,-2.2 -5,-0.3 -3,-0.2 0.594 85.4 110.4-106.4 -11.8 -8.0 7.4 16.0 280 282 A K B >< S-O 312 0H 86 -4,-2.6 3,-2.1 -5,-0.2 32,-0.2 -0.287 80.1-107.2 -64.5 151.3 -11.0 8.2 13.7 281 283 A K T 3 S+ 0 0 134 30,-0.8 33,-0.2 1,-0.3 -1,-0.1 0.817 118.0 43.8 -46.5 -43.5 -11.8 11.9 13.2 282 284 A D T 3 S+ 0 0 112 31,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.044 83.2 150.4 -96.2 28.6 -15.0 11.8 15.3 283 285 A S < - 0 0 20 -3,-2.1 -5,-0.1 1,-0.1 -6,-0.1 -0.272 36.4-163.8 -62.2 143.4 -13.5 9.8 18.2 284 286 A T + 0 0 135 -7,-0.4 -280,-0.3 2,-0.1 -1,-0.1 0.365 62.2 104.1-105.0 0.3 -14.9 10.4 21.6 285 287 A A S S- 0 0 3 -8,-0.6 2,-0.4 -282,-0.1 -280,-0.2 -0.433 75.3-116.5 -77.3 156.9 -11.9 8.7 23.2 286 288 A E E -b 5 0A 35 -282,-3.4 -280,-3.1 -2,-0.1 2,-0.5 -0.829 22.5-162.3-103.2 135.5 -9.2 10.9 24.8 287 289 A L E +b 6 0A 2 -2,-0.4 29,-2.7 27,-0.2 30,-1.5 -0.962 11.3 179.5-118.1 121.7 -5.6 11.1 23.5 288 290 A Y E -bd 7 317A 29 -282,-2.9 -280,-1.9 -2,-0.5 2,-0.5 -0.974 12.4-162.0-126.7 136.6 -2.9 12.5 25.7 289 291 A H E -bd 8 318A 0 28,-1.5 30,-2.9 -2,-0.4 2,-0.6 -0.970 6.8-155.8-117.5 124.1 0.8 13.0 25.0 290 292 A F E +bd 9 319A 0 -282,-2.1 -280,-1.0 -2,-0.5 2,-0.3 -0.889 34.4 158.5 -95.7 123.3 3.2 13.4 27.9 291 293 A I E - d 0 320A 0 28,-2.4 30,-1.8 -2,-0.6 2,-0.1 -0.940 40.5-104.6-144.1 165.9 6.2 15.3 26.4 292 294 A G E > - d 0 321A 3 -2,-0.3 3,-1.5 28,-0.2 30,-0.2 -0.481 37.6-109.4 -87.5 163.0 9.2 17.4 27.3 293 295 A K G > S+ 0 0 71 28,-1.2 3,-1.0 1,-0.3 4,-0.3 0.745 112.8 66.9 -64.2 -23.2 9.3 21.2 26.6 294 296 A D G 3 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.614 104.5 41.6 -74.3 -13.3 11.9 20.7 23.9 295 297 A I G <> S+ 0 0 51 -3,-1.5 4,-1.5 1,-0.1 -1,-0.2 0.050 81.1 104.6-122.9 27.9 9.5 18.8 21.6 296 298 A V H <> S+ 0 0 6 -3,-1.0 4,-2.2 2,-0.2 5,-0.3 0.881 75.9 56.5 -74.7 -41.1 6.3 21.0 22.1 297 299 A Y H >>S+ 0 0 57 -4,-0.3 4,-1.9 1,-0.2 5,-0.9 0.951 110.4 46.3 -55.5 -49.4 6.6 22.7 18.7 298 300 A F H 4>S+ 0 0 28 1,-0.2 5,-2.8 2,-0.2 -1,-0.2 0.892 117.2 42.0 -60.8 -42.9 6.5 19.4 17.0 299 301 A H H <5S+ 0 0 9 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.666 119.0 43.2 -80.5 -19.1 3.6 17.9 19.0 300 302 A S H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.675 130.9 13.7-100.9 -20.3 1.5 21.0 19.0 301 303 A L T X5S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 5,-0.2 0.730 129.0 36.3-118.1 -63.4 1.8 22.2 15.4 302 304 A F H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.854 113.8 52.7 -62.8 -35.1 -1.9 17.7 14.8 305 307 A A H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.942 109.5 48.7 -64.1 -47.0 -1.7 19.2 11.3 306 308 A M H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.915 113.5 47.3 -58.1 -44.9 -0.4 15.9 9.9 307 309 A L H ><>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 3,-0.6 0.945 113.4 47.7 -62.2 -49.4 -3.3 14.1 11.7 308 310 A E H ><5S+ 0 0 62 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.925 110.8 52.1 -57.7 -46.2 -5.8 16.6 10.4 309 311 A G H 3<5S+ 0 0 3 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 112.2 44.6 -64.6 -24.3 -4.5 16.3 6.9 310 312 A S T <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.174 120.5-105.7-105.5 14.7 -4.7 12.5 6.9 311 313 A N T < 5S+ 0 0 93 -3,-1.6 -30,-0.8 1,-0.2 2,-0.3 0.795 76.0 128.7 68.1 35.0 -8.2 12.5 8.4 312 314 A F B < -O 280 0H 12 -5,-3.1 -1,-0.2 -32,-0.2 -32,-0.2 -0.786 63.3 -94.8-114.8 160.5 -7.3 11.4 11.9 313 315 A R - 0 0 22 -34,-2.2 -32,-0.1 -2,-0.3 -31,-0.1 -0.343 38.0-126.0 -71.5 155.1 -8.3 12.9 15.3 314 316 A K - 0 0 43 -33,-0.2 -27,-0.2 1,-0.2 -1,-0.1 -0.544 39.6 -75.8 -96.0 166.0 -5.9 15.4 17.0 315 317 A P - 0 0 3 0, 0.0 -1,-0.2 0, 0.0 -27,-0.2 -0.212 29.1-140.5 -58.9 153.0 -4.6 15.0 20.6 316 318 A S S S- 0 0 40 -29,-2.7 2,-0.3 1,-0.4 -28,-0.2 0.837 80.1 -20.5 -80.3 -36.1 -7.1 16.0 23.3 317 319 A N E -d 288 0A 28 -30,-1.5 -28,-1.5 -110,-0.1 2,-0.5 -0.985 54.6-129.8-166.7 160.8 -4.2 17.6 25.2 318 320 A L E -d 289 0A 0 -2,-0.3 2,-0.7 -30,-0.2 -109,-0.5 -0.984 16.8-155.6-119.5 127.8 -0.4 17.8 25.6 319 321 A F E -d 290 0A 8 -30,-2.9 -28,-2.4 -2,-0.5 2,-0.4 -0.923 17.7-165.3-107.9 109.8 1.0 17.5 29.1 320 322 A V E -d 291 0A 0 -2,-0.7 2,-0.3 43,-0.2 -28,-0.2 -0.799 8.8-175.5-103.0 137.4 4.4 19.2 29.2 321 323 A H E -d 292 0A 14 -30,-1.8 -28,-1.2 -2,-0.4 44,-0.2 -0.803 19.8-123.3-122.0 165.0 7.1 18.9 31.8 322 324 A G - 0 0 1 44,-1.1 45,-0.2 42,-0.3 44,-0.1 -0.109 39.1 -75.3 -93.6-163.6 10.4 20.6 32.3 323 325 A Y - 0 0 110 42,-0.2 45,-3.5 -31,-0.1 2,-0.5 -0.324 38.2-114.9 -90.1 174.5 13.9 19.1 32.6 324 326 A V E -p 368 0I 13 43,-0.2 7,-0.4 -2,-0.1 2,-0.3 -0.946 27.0-172.6-114.5 127.4 15.6 17.4 35.6 325 327 A T E -p 369 0I 26 43,-2.4 45,-3.5 -2,-0.5 2,-0.5 -0.813 15.8-140.9-111.9 156.8 18.6 19.0 37.3 326 328 A V E > S-pQ 370 329I 3 3,-2.9 3,-1.3 -2,-0.3 45,-0.2 -0.981 84.5 -7.4-122.4 120.5 20.6 17.2 40.0 327 329 A N T 3 S- 0 0 79 43,-1.5 -1,-0.2 -2,-0.5 44,-0.1 0.881 131.3 -57.0 63.0 38.5 21.8 19.4 42.9 328 330 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.310 120.6 87.2 79.4 -8.7 20.5 22.4 41.1 329 331 A A B < S-Q 326 0I 56 -3,-1.3 -3,-2.9 1,-0.1 -1,-0.2 -0.817 87.3 -82.4-124.9 164.2 22.6 22.0 37.9 330 332 A K - 0 0 178 -2,-0.3 -5,-0.1 -5,-0.2 -1,-0.1 -0.218 68.8 -80.0 -55.4 148.8 22.4 20.2 34.6 331 333 A M - 0 0 28 -7,-0.4 2,-0.5 1,-0.1 7,-0.2 -0.273 52.3-153.9 -54.6 137.4 23.4 16.5 34.9 332 334 A S >> - 0 0 15 1,-0.1 5,-2.7 -3,-0.1 6,-1.1 -0.963 21.1-164.3-126.6 121.5 27.2 16.2 34.9 333 335 A K T >45S+ 0 0 148 -2,-0.5 3,-0.5 1,-0.2 -1,-0.1 0.890 97.0 48.6 -65.1 -41.2 29.3 13.2 33.8 334 336 A S T 345S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 211,-0.0 0.838 115.0 45.0 -69.2 -32.5 32.4 14.4 35.5 335 337 A R T 345S- 0 0 177 209,-0.0 -1,-0.2 210,-0.0 -2,-0.2 0.482 111.7-120.6 -88.9 -4.3 30.5 15.1 38.8 336 338 A G T <<5S+ 0 0 0 -4,-0.6 208,-0.2 -3,-0.5 209,-0.2 0.778 81.6 118.3 71.3 25.9 28.7 11.8 38.5 337 339 A T < + 0 0 9 -5,-2.7 2,-1.4 207,-0.1 -4,-0.2 0.390 45.1 95.1-101.1 -0.9 25.2 13.4 38.4 338 340 A F - 0 0 57 -6,-1.1 2,-0.5 -7,-0.2 -1,-0.1 -0.778 66.0-176.6 -89.3 93.7 24.5 12.0 35.0 339 341 A I - 0 0 0 -2,-1.4 -319,-2.6 4,-0.0 -318,-0.2 -0.866 18.2-146.1-105.5 124.9 22.7 9.0 36.4 340 342 A K B > -F 19 0C 69 -2,-0.5 4,-2.3 -321,-0.3 -321,-0.3 -0.515 22.9-120.4 -82.9 150.5 21.3 6.1 34.2 341 343 A A H > S+ 0 0 0 -323,-2.6 4,-1.9 1,-0.2 -322,-0.1 0.902 113.5 51.6 -56.6 -44.7 18.1 4.3 35.1 342 344 A S H > S+ 0 0 39 -324,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.883 109.4 50.3 -61.9 -38.4 19.9 1.0 35.4 343 345 A T H >> S+ 0 0 22 1,-0.2 3,-1.4 2,-0.2 4,-0.8 0.924 106.5 55.4 -65.7 -44.6 22.5 2.4 37.7 344 346 A W H >X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 3,-1.4 0.913 104.2 53.8 -54.5 -45.2 19.9 3.9 39.9 345 347 A L H 3< S+ 0 0 52 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.641 98.9 63.0 -67.8 -13.9 18.2 0.5 40.4 346 348 A N H << S+ 0 0 132 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.717 118.7 26.4 -80.1 -21.2 21.5 -1.0 41.5 347 349 A H H << S+ 0 0 52 -3,-1.4 2,-0.3 -4,-0.8 -2,-0.2 0.758 127.9 18.6-109.9 -36.5 21.5 1.3 44.5 348 350 A F S < S- 0 0 15 -4,-3.0 -1,-0.2 -5,-0.2 2,-0.1 -0.842 75.0-104.8-132.9 170.2 17.9 2.2 45.3 349 351 A D > - 0 0 55 -2,-0.3 4,-0.8 1,-0.1 3,-0.2 -0.419 32.0-114.8 -89.1 169.9 14.4 1.0 44.6 350 352 A A H > S+ 0 0 7 -266,-0.3 4,-2.6 1,-0.2 5,-0.2 0.847 107.5 67.0 -74.8 -33.3 12.0 2.7 42.1 351 353 A D H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.844 95.7 56.2 -56.9 -37.6 9.5 3.8 44.7 352 354 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 112.4 40.0 -61.1 -50.8 11.9 6.2 46.3 353 355 A L H X S+ 0 0 0 -4,-0.8 4,-2.7 2,-0.2 5,-0.3 0.898 113.8 54.5 -65.5 -41.3 12.5 8.1 43.0 354 356 A R H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.935 110.7 47.0 -58.5 -44.9 8.9 7.9 42.0 355 357 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.945 112.7 47.8 -62.6 -48.8 7.9 9.5 45.4 356 358 A Y H X S+ 0 0 3 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.937 113.7 45.8 -59.2 -49.4 10.5 12.3 45.2 357 359 A Y H >X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-0.9 0.940 113.7 50.6 -59.7 -46.5 9.7 13.3 41.6 358 360 A T H 3< S+ 0 0 0 -4,-2.3 3,-0.5 -5,-0.3 81,-0.2 0.889 105.1 56.0 -58.1 -42.8 5.9 13.2 42.4 359 361 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.753 115.2 39.7 -62.4 -23.9 6.3 15.4 45.4 360 362 A K H << S+ 0 0 76 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.567 95.8 101.5-102.2 -11.7 8.0 18.0 43.2 361 363 A L < + 0 0 5 -4,-1.2 75,-2.8 -3,-0.5 2,-0.3 -0.373 40.6 164.2 -78.8 154.9 5.8 17.7 40.1 362 364 A S - 0 0 18 2,-0.4 72,-0.2 73,-0.2 71,-0.0 -0.873 54.0 -90.7-151.8-179.5 3.0 20.1 39.1 363 365 A S S S+ 0 0 26 -2,-0.3 -43,-0.2 -42,-0.0 71,-0.1 0.518 98.4 92.1 -79.1 -5.3 0.8 21.0 36.1 364 366 A R S S- 0 0 118 69,-0.1 -2,-0.4 1,-0.1 -42,-0.3 -0.387 84.9-119.3 -86.2 167.0 3.4 23.7 35.2 365 367 A I + 0 0 15 -44,-0.2 -42,-0.2 -2,-0.1 -72,-0.1 0.296 63.8 138.0 -89.6 11.0 6.4 23.3 32.8 366 368 A D - 0 0 94 -44,-0.1 -44,-1.1 1,-0.1 -4,-0.1 -0.088 59.7-101.3 -56.7 154.5 9.0 24.1 35.5 367 369 A D - 0 0 76 -45,-0.2 2,-0.5 -46,-0.1 -43,-0.2 -0.428 31.4-131.8 -74.9 152.0 12.3 22.1 35.9 368 370 A I E -p 324 0I 10 -45,-3.5 -43,-2.4 -2,-0.1 2,-0.5 -0.934 14.7-150.1-111.1 123.8 12.5 19.5 38.6 369 371 A D E -p 325 0I 37 -2,-0.5 2,-1.0 -45,-0.2 -43,-0.2 -0.816 3.7-157.6 -99.3 126.1 15.5 19.4 40.8 370 372 A L E -p 326 0I 0 -45,-3.5 -43,-1.5 -2,-0.5 2,-0.9 -0.822 12.5-171.7 -98.5 94.3 16.8 16.2 42.2 371 373 A N > - 0 0 49 -2,-1.0 4,-2.6 -45,-0.2 5,-0.2 -0.814 11.5-155.6 -89.8 109.2 18.8 17.2 45.3 372 374 A L H > S+ 0 0 6 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.878 91.7 48.4 -52.7 -45.0 20.4 14.1 46.5 373 375 A E H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.964 115.3 44.3 -60.6 -52.3 20.8 15.3 50.1 374 376 A D H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.808 107.0 62.5 -61.8 -30.9 17.2 16.4 50.2 375 377 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.926 103.7 46.8 -61.4 -47.5 16.1 13.1 48.5 376 378 A V H X S+ 0 0 7 -4,-1.8 4,-1.9 -3,-0.3 156,-0.3 0.904 115.3 46.5 -62.8 -41.0 17.4 11.0 51.4 377 379 A Q H X S+ 0 0 111 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.864 111.6 50.1 -70.6 -36.9 15.8 13.2 54.0 378 380 A R H X>S+ 0 0 71 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.917 112.6 46.5 -67.8 -45.5 12.4 13.4 52.2 379 381 A V H X>S+ 0 0 0 -4,-2.1 5,-1.7 -5,-0.2 4,-1.1 0.950 116.7 42.8 -62.6 -50.9 12.1 9.6 51.7 380 382 A N H <>S+ 0 0 9 -4,-1.9 5,-2.2 -5,-0.2 -2,-0.2 0.916 119.4 44.8 -61.8 -44.5 13.1 8.8 55.3 381 383 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.925 125.7 26.3 -67.8 -47.3 10.9 11.6 56.7 382 384 A D H X>S+ 0 0 5 -4,-2.9 5,-2.1 -5,-0.2 4,-0.9 0.958 129.7 30.0 -83.9 -59.5 7.8 11.0 54.7 383 385 A I T >>S+ 0 0 55 -4,-0.3 4,-2.5 1,-0.2 5,-0.6 0.892 115.6 47.7 -56.6 -43.7 -0.2 -4.9 69.3 398 400 A I H X5S+ 0 0 1 -4,-1.6 6,-2.9 1,-0.2 4,-1.1 0.910 116.6 43.1 -65.6 -42.8 -2.9 -6.1 67.0 399 401 A N H <5S+ 0 0 39 -4,-2.6 4,-0.3 4,-0.2 -2,-0.2 0.852 122.8 36.1 -72.8 -36.4 -0.9 -9.2 65.9 400 402 A K H <5S+ 0 0 189 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.852 128.6 28.1 -88.6 -35.8 0.3 -10.2 69.3 401 403 A R H <5S+ 0 0 95 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.689 130.4 31.1-100.9 -18.7 -2.6 -9.4 71.6 402 404 A F S >< + 0 0 56 61,-0.2 4,-1.7 1,-0.1 -1,-0.3 -0.766 66.2 176.2-136.1 87.7 -13.0 8.0 66.0 413 415 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.844 82.7 56.4 -59.9 -34.7 -15.5 8.1 63.2 414 416 A A H > S+ 0 0 70 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.892 106.2 48.4 -66.4 -40.8 -15.1 11.9 62.8 415 417 A L H > S+ 0 0 22 -3,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.874 111.3 51.9 -66.8 -36.3 -11.3 11.6 62.3 416 418 A Y H X S+ 0 0 11 -4,-1.7 4,-2.1 1,-0.2 3,-0.3 0.903 105.9 52.9 -66.7 -41.3 -11.9 8.9 59.7 417 419 A K H X S+ 0 0 113 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.846 102.5 60.8 -62.8 -31.8 -14.4 11.0 57.8 418 420 A T H X S+ 0 0 66 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.902 107.3 45.3 -60.5 -40.2 -11.7 13.7 57.7 419 421 A F H < S+ 0 0 0 -4,-1.2 4,-0.3 -3,-0.3 -2,-0.2 0.889 115.7 43.7 -72.5 -40.4 -9.5 11.3 55.8 420 422 A T H >< S+ 0 0 13 -4,-2.1 3,-1.1 1,-0.2 4,-0.4 0.797 106.2 61.5 -75.9 -28.0 -12.2 10.1 53.3 421 423 A D H >< S+ 0 0 88 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.849 96.5 62.9 -63.9 -31.7 -13.5 13.6 52.7 422 424 A A T 3X S+ 0 0 14 -4,-0.9 4,-2.8 1,-0.2 5,-0.3 0.680 78.2 85.2 -67.3 -18.9 -10.0 14.5 51.4 423 425 A A H <> S+ 0 0 10 -3,-1.1 4,-3.2 -4,-0.3 5,-0.3 0.889 85.8 56.9 -49.5 -43.1 -10.4 12.0 48.6 424 426 A E H <> S+ 0 0 144 -3,-1.0 4,-1.8 -4,-0.4 -1,-0.2 0.926 112.1 39.0 -54.5 -51.6 -12.1 14.7 46.6 425 427 A V H > S+ 0 0 54 -4,-0.5 4,-1.6 -3,-0.3 -2,-0.2 0.924 119.2 46.0 -67.7 -46.5 -9.2 17.1 46.8 426 428 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.874 111.7 52.2 -66.0 -38.1 -6.5 14.5 46.4 427 429 A G H X S+ 0 0 2 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.2 0.902 110.5 47.4 -65.2 -41.6 -8.3 12.9 43.5 428 430 A E H X S+ 0 0 127 -4,-1.8 4,-2.4 -5,-0.3 6,-0.3 0.813 109.9 54.6 -69.3 -29.4 -8.6 16.2 41.6 429 431 A A H <>S+ 0 0 2 -4,-1.6 5,-2.5 2,-0.2 4,-0.3 0.938 110.6 44.4 -68.9 -46.5 -5.0 16.9 42.3 430 432 A W H ><5S+ 0 0 0 -4,-2.3 3,-1.5 3,-0.2 -2,-0.2 0.959 115.3 49.5 -60.2 -50.5 -3.9 13.6 40.7 431 433 A E H 3<5S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.881 112.6 45.2 -55.8 -45.3 -6.2 14.2 37.8 432 434 A S T 3<5S- 0 0 52 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.357 114.8-114.5 -83.5 5.1 -5.1 17.8 37.2 433 435 A R T < 5S+ 0 0 22 -3,-1.5 2,-1.4 -4,-0.3 3,-0.3 0.722 71.9 139.3 68.5 23.4 -1.4 16.7 37.5 434 436 A E >< + 0 0 36 -5,-2.5 4,-1.8 -6,-0.3 -1,-0.2 -0.595 18.4 159.0 -95.4 69.3 -0.9 18.8 40.6 435 437 A F H > + 0 0 0 -2,-1.4 4,-2.5 1,-0.2 -73,-0.2 0.864 66.2 55.7 -62.0 -42.2 1.2 16.0 42.1 436 438 A G H > S+ 0 0 2 -75,-2.8 4,-2.2 -3,-0.3 -1,-0.2 0.889 109.1 49.3 -59.9 -38.3 3.0 18.2 44.6 437 439 A K H > S+ 0 0 78 -76,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.894 108.8 51.4 -66.7 -42.9 -0.4 19.3 45.9 438 440 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.926 112.3 47.0 -60.1 -45.5 -1.7 15.7 46.2 439 441 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 -81,-0.2 5,-0.2 0.880 109.8 52.6 -65.2 -40.1 1.4 14.8 48.2 440 442 A R H X S+ 0 0 154 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.943 111.8 46.7 -60.4 -47.6 1.2 17.8 50.5 441 443 A E H X S+ 0 0 69 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.897 113.3 48.7 -59.8 -44.5 -2.4 16.9 51.3 442 444 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 112.6 46.6 -64.7 -44.0 -1.5 13.3 51.9 443 445 A M H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.827 107.9 57.1 -68.7 -31.0 1.4 14.1 54.2 444 446 A A H X S+ 0 0 53 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.938 109.5 46.0 -63.2 -43.9 -0.8 16.6 56.0 445 447 A L H X S+ 0 0 15 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.884 109.7 54.6 -64.6 -39.0 -3.2 13.7 56.7 446 448 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 106.5 51.0 -61.7 -41.8 -0.3 11.5 57.7 447 449 A D H X S+ 0 0 64 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.912 110.8 50.1 -60.9 -42.1 0.9 14.0 60.3 448 450 A L H X S+ 0 0 62 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.904 109.3 49.9 -62.2 -44.7 -2.7 14.1 61.6 449 451 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.889 111.7 48.6 -63.3 -40.2 -2.8 10.3 61.9 450 452 A N H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.802 108.5 53.8 -71.4 -27.7 0.5 10.2 63.7 451 453 A R H X S+ 0 0 155 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.912 107.1 51.8 -69.8 -43.4 -0.7 12.9 66.1 452 454 A Y H X S+ 0 0 21 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.893 111.8 46.3 -59.4 -42.2 -3.8 10.9 66.9 453 455 A V H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.892 111.2 52.2 -68.9 -38.0 -1.6 7.9 67.7 454 456 A D H < S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 110.2 48.4 -62.7 -42.8 0.7 10.0 69.8 455 457 A E H < S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.763 112.6 47.6 -70.4 -26.9 -2.2 11.4 71.8 456 458 A Q H < S- 0 0 70 -4,-1.4 5,-0.4 -5,-0.2 -1,-0.2 0.672 89.3-159.3 -87.3 -18.5 -3.6 7.9 72.4 457 459 A A >X - 0 0 18 -4,-1.3 4,-2.3 -3,-0.1 3,-2.0 0.889 8.3-170.7 38.3 67.5 -0.2 6.5 73.4 458 460 A P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.800 82.3 61.7 -55.6 -31.5 -0.9 2.8 72.8 459 461 A W H 34 S+ 0 0 122 2,-0.2 -2,-0.1 1,-0.2 4,-0.1 0.715 110.3 42.8 -67.8 -19.4 2.4 1.8 74.4 460 462 A V H X> S+ 0 0 62 -3,-2.0 3,-2.0 2,-0.2 4,-0.6 0.886 113.6 47.9 -88.9 -50.5 1.0 3.4 77.6 461 463 A V H >< S+ 0 0 6 -4,-2.3 3,-1.0 -5,-0.4 -2,-0.2 0.832 102.8 66.5 -58.9 -30.8 -2.6 2.0 77.2 462 464 A A T 3< S+ 0 0 15 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.705 100.0 51.1 -64.0 -19.7 -1.0 -1.4 76.6 463 465 A K T <4 S+ 0 0 186 -3,-2.0 2,-0.4 -5,-0.1 -1,-0.3 0.626 89.9 93.6 -93.0 -16.0 0.3 -1.3 80.2 464 466 A Q S X< S- 0 0 76 -3,-1.0 3,-0.9 -4,-0.6 2,-0.1 -0.653 78.0-119.6 -85.7 132.6 -3.0 -0.5 81.9 465 467 A A T 3 S+ 0 0 104 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.392 93.1 17.7 -68.9 141.4 -5.1 -3.4 83.2 466 468 A G T 3 S+ 0 0 78 -2,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.795 95.5 103.7 69.2 30.0 -8.6 -3.8 81.7 467 469 A R <> + 0 0 87 -3,-0.9 4,-2.4 -6,-0.2 5,-0.2 0.153 34.5 115.3-125.7 16.4 -7.9 -1.7 78.7 468 470 A D H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 78.5 51.2 -53.0 -46.0 -7.5 -4.4 76.1 469 471 A A H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 109.7 50.0 -59.5 -43.8 -10.5 -3.2 74.2 470 472 A D H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 109.5 51.2 -61.7 -43.7 -9.2 0.4 74.1 471 473 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.921 111.0 48.1 -60.4 -45.6 -5.9 -0.8 72.8 472 474 A Q H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -65,-0.5 0.909 112.2 48.8 -61.9 -43.7 -7.5 -2.7 70.0 473 475 A A H X S+ 0 0 27 -4,-2.4 4,-1.3 2,-0.2 -62,-0.5 0.864 114.1 46.3 -64.4 -39.0 -9.7 0.2 69.0 474 476 A I H X S+ 0 0 10 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.941 115.7 42.9 -68.8 -52.0 -6.8 2.6 69.0 475 477 A C H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.824 114.1 51.9 -66.0 -33.0 -4.4 0.4 67.0 476 478 A S H X S+ 0 0 3 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.830 106.6 54.6 -71.9 -33.1 -7.2 -0.6 64.6 477 479 A M H X S+ 0 0 2 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.895 108.2 49.4 -66.1 -39.3 -7.9 3.1 64.1 478 480 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.863 110.1 50.1 -67.7 -36.3 -4.3 3.7 63.2 479 481 A I H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.853 109.7 51.0 -70.7 -35.2 -4.3 0.8 60.7 480 482 A N H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.812 108.7 51.0 -71.9 -30.2 -7.5 2.0 59.0 481 483 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.866 110.3 50.2 -72.7 -35.5 -5.9 5.5 58.6 482 484 A F H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.859 105.3 57.7 -67.7 -36.9 -2.9 3.8 57.1 483 485 A R H X S+ 0 0 11 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.941 109.2 44.8 -58.5 -47.5 -5.2 1.9 54.7 484 486 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.911 112.8 50.1 -63.4 -45.6 -6.6 5.3 53.5 485 487 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.905 109.0 51.0 -61.3 -44.3 -3.2 6.9 53.1 486 488 A M H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.804 106.7 56.7 -65.0 -28.0 -1.8 3.9 51.1 487 489 A T H >< S+ 0 0 0 -4,-1.3 3,-0.6 -5,-0.2 -1,-0.2 0.921 107.1 47.0 -68.4 -43.5 -4.8 4.2 48.8 488 490 A Y H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.795 117.8 44.2 -67.6 -27.6 -4.1 7.8 48.0 489 491 A L H >X S+ 0 0 1 -4,-1.5 4,-2.2 -5,-0.2 3,-1.2 0.512 83.4 99.7 -94.4 -6.6 -0.4 6.8 47.4 490 492 A K T << S+ 0 0 40 -4,-0.8 -1,-0.2 -3,-0.6 7,-0.2 0.845 80.9 52.9 -49.2 -42.7 -1.1 3.7 45.4 491 493 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -457,-0.2 0.839 115.3 42.5 -63.7 -30.1 -0.5 5.4 42.1 492 494 A V T <4 S+ 0 0 0 -3,-1.2 -2,-0.2 1,-0.2 -134,-0.1 0.872 119.2 35.4 -83.0 -43.6 2.9 6.6 43.3 493 495 A L X + 0 0 1 -4,-2.2 4,-2.4 -7,-0.2 -1,-0.2 -0.708 61.0 168.9-119.8 79.7 4.4 3.6 45.1 494 496 A P H > S+ 0 0 11 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.874 79.3 42.1 -57.3 -45.0 3.4 0.4 43.4 495 497 A K H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 115.0 48.2 -72.6 -44.9 5.8 -2.0 45.2 496 498 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 111.0 54.2 -59.9 -39.9 5.2 -0.5 48.7 497 499 A T H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.864 105.4 52.1 -63.0 -36.9 1.5 -0.7 48.0 498 500 A E H X S+ 0 0 119 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.943 111.2 46.6 -64.5 -46.5 1.7 -4.4 47.2 499 501 A R H X S+ 0 0 92 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.877 112.3 51.8 -62.8 -36.3 3.5 -5.1 50.4 500 502 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.925 109.8 48.7 -65.5 -44.6 0.9 -2.9 52.2 501 503 A E H X>S+ 0 0 33 -4,-2.7 4,-1.6 1,-0.2 5,-1.4 0.874 107.7 54.3 -64.0 -38.0 -1.9 -4.9 50.6 502 504 A A H <5S+ 0 0 64 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.897 113.6 43.9 -63.1 -37.4 -0.3 -8.2 51.6 503 505 A F H <5S+ 0 0 9 -4,-1.7 20,-3.1 1,-0.2 -2,-0.2 0.961 117.1 42.6 -71.5 -52.3 -0.2 -7.0 55.2 504 506 A L H <5S- 0 0 0 -4,-3.1 -1,-0.2 18,-0.2 -2,-0.2 0.666 102.3-133.7 -68.9 -16.2 -3.7 -5.5 55.3 505 507 A N T <5S+ 0 0 78 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.919 71.2 98.1 62.1 43.5 -5.0 -8.6 53.4 506 508 A T S - 0 0 62 -2,-0.6 4,-0.6 1,-0.1 3,-0.1 -0.925 40.3-119.2-125.1 152.7 -9.4 0.6 45.7 510 512 A W T >4 S+ 0 0 13 -472,-0.4 3,-0.8 -2,-0.3 4,-0.1 0.911 114.5 40.1 -55.5 -48.7 -10.4 4.2 45.5 511 513 A D G >4 S+ 0 0 116 -473,-0.3 3,-1.7 1,-0.2 4,-0.2 0.730 99.4 78.3 -75.2 -21.2 -14.0 3.6 46.6 512 514 A G G >4 S+ 0 0 13 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.721 75.3 74.5 -60.6 -23.3 -13.0 1.0 49.1 513 515 A I G << S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 0.697 82.2 69.4 -64.5 -19.1 -11.9 3.6 51.7 514 516 A Q G < S+ 0 0 106 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.706 97.4 58.2 -70.3 -19.4 -15.6 4.4 52.4 515 517 A Q S < S- 0 0 143 -3,-1.7 -1,-0.2 -4,-0.2 3,-0.1 -0.859 84.5-151.3-114.6 95.9 -15.8 1.0 54.0 516 518 A P - 0 0 28 0, 0.0 2,-0.7 0, 0.0 -2,-0.0 -0.163 29.1 -97.8 -62.3 160.0 -13.2 0.7 56.9 517 519 A L + 0 0 15 -41,-0.1 2,-0.4 -4,-0.1 3,-0.2 -0.728 52.7 171.7 -82.8 113.5 -11.8 -2.7 57.8 518 520 A L + 0 0 76 -2,-0.7 -110,-0.3 1,-0.2 -111,-0.2 -0.981 64.6 1.9-127.1 136.7 -13.8 -4.0 60.7 519 521 A G S S+ 0 0 55 -112,-1.9 2,-0.4 -113,-0.6 -1,-0.2 0.879 99.8 146.5 56.2 36.3 -13.6 -7.4 62.3 520 522 A H - 0 0 47 -113,-0.3 -114,-3.0 -3,-0.2 2,-0.6 -0.855 49.0-130.9-110.6 140.0 -10.9 -7.9 59.7 521 523 A K B -R 405 0J 121 -2,-0.4 -116,-0.2 -116,-0.2 2,-0.2 -0.808 20.8-164.5 -95.8 117.7 -7.7 -10.1 60.1 522 524 A V - 0 0 2 -118,-3.0 -18,-0.2 -2,-0.6 -19,-0.1 -0.595 22.8-111.2 -94.2 159.7 -4.4 -8.5 59.1 523 525 A N - 0 0 59 -20,-3.1 -124,-0.1 -2,-0.2 3,-0.1 -0.476 45.5 -74.0 -90.1 161.4 -1.3 -10.5 58.5 524 526 A P - 0 0 105 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.268 60.8-109.3 -53.4 133.8 1.9 -10.5 60.6 525 527 A F - 0 0 58 -130,-0.1 2,-0.3 -3,-0.1 -133,-0.0 -0.390 37.1-177.9 -71.8 142.3 3.8 -7.3 60.0 526 528 A K - 0 0 162 -2,-0.1 -23,-0.1 -27,-0.1 -134,-0.0 -0.994 47.3 -75.4-138.5 141.0 7.0 -7.2 58.1 527 529 A A - 0 0 56 -2,-0.3 3,-0.1 1,-0.2 -139,-0.0 -0.068 43.5-171.1 -36.7 119.0 9.3 -4.2 57.4 528 530 A L - 0 0 6 1,-0.3 2,-0.3 -140,-0.1 -1,-0.2 0.774 68.3 -1.1 -88.2 -30.0 7.5 -2.3 54.7 529 531 A Y - 0 0 20 -145,-0.1 -1,-0.3 -141,-0.0 2,-0.3 -0.970 65.6-142.2-161.0 143.9 10.3 0.1 54.0 530 532 A N - 0 0 121 -2,-0.3 -146,-0.1 -3,-0.1 2,-0.0 -0.801 28.5-102.1-112.4 153.7 13.8 0.8 55.3 531 533 A R - 0 0 149 -2,-0.3 2,-0.3 -147,-0.1 -1,-0.1 -0.338 33.6-138.2 -67.4 150.3 15.7 4.0 55.9 532 534 A I - 0 0 13 -156,-0.3 2,-0.3 -2,-0.0 -152,-0.1 -0.833 12.9-137.2-110.9 151.2 18.3 5.0 53.3 533 535 A D >> - 0 0 85 -2,-0.3 4,-0.9 1,-0.1 3,-0.7 -0.716 19.6-123.4-106.6 159.3 21.7 6.5 54.2 534 536 A M H 3> S+ 0 0 66 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.769 112.3 66.7 -68.6 -24.3 23.7 9.3 52.6 535 537 A R H 3> S+ 0 0 193 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.837 94.8 56.3 -64.8 -31.9 26.4 6.8 52.1 536 538 A Q H <> S+ 0 0 60 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.884 107.6 48.7 -65.3 -39.1 24.2 5.0 49.6 537 539 A V H X S+ 0 0 3 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.905 108.9 52.4 -66.7 -44.0 23.9 8.2 47.6 538 540 A E H X S+ 0 0 118 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.871 108.4 51.4 -61.0 -37.8 27.7 8.8 47.7 539 541 A A H X S+ 0 0 46 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.879 108.4 52.3 -67.5 -37.0 28.2 5.3 46.3 540 542 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.937 111.0 45.7 -64.2 -47.4 25.7 6.0 43.5 541 543 A V H X S+ 0 0 27 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.888 113.6 49.7 -63.0 -40.4 27.5 9.2 42.4 542 544 A E H X S+ 0 0 84 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.919 112.0 48.5 -63.8 -43.6 30.9 7.4 42.6 543 545 A A H < S+ 0 0 39 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 112.7 48.4 -63.9 -37.2 29.5 4.6 40.5 544 546 A S H < S+ 0 0 23 -4,-2.3 -2,-0.2 -208,-0.2 -208,-0.2 0.867 108.1 54.0 -71.7 -37.2 28.1 7.1 38.0 545 547 A K H < 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.962 360.0 360.0 -59.1 -51.3 31.3 9.0 37.8 546 548 A E < 0 0 186 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.655 360.0 360.0 -68.1 360.0 33.1 5.7 37.0