==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOPRENOID SYNTHASE 11-DEC-97 5EAU . COMPND 2 MOLECULE: 5-EPI-ARISTOLOCHENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR C.M.STARKS,K.BACK,J.CHAPPELL,J.P.NOEL . 523 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 2 1 3 2 2 5 0 0 0 1 0 0 0 0 4 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 21 A S 0 0 117 0, 0.0 244,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.6 11.5 73.0 3.9 2 22 A P - 0 0 91 0, 0.0 2,-0.1 0, 0.0 242,-0.1 -0.312 360.0 -79.2 -81.4 164.7 9.8 70.4 6.3 3 23 A S - 0 0 26 1,-0.1 3,-0.2 -2,-0.1 243,-0.1 -0.399 31.9-157.7 -63.3 131.1 11.3 67.6 8.4 4 24 A L S S+ 0 0 139 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 0.269 82.8 69.5 -95.9 12.8 12.2 64.6 6.3 5 25 A W S > S- 0 0 26 1,-0.2 3,-1.1 2,-0.0 2,-0.4 0.750 76.0-167.5 -97.9 -30.7 12.1 62.2 9.3 6 26 A G T 3 - 0 0 61 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 -0.633 66.4 -36.5 78.2-130.7 8.4 62.3 10.0 7 27 A D T >> S+ 0 0 121 -2,-0.4 3,-0.9 1,-0.1 4,-0.6 -0.033 97.7 128.4-117.2 27.7 7.6 60.7 13.4 8 28 A Q T <4 S+ 0 0 104 -3,-1.1 3,-0.1 1,-0.3 -1,-0.1 0.791 83.9 29.7 -51.9 -36.2 10.3 58.1 12.9 9 29 A F T 34 S+ 0 0 20 -3,-0.2 -1,-0.3 1,-0.1 219,-0.2 0.385 92.6 97.5-108.6 -0.1 11.8 59.0 16.3 10 30 A L T <4 S+ 0 0 30 -3,-0.9 2,-0.4 1,-0.2 -2,-0.1 0.789 89.9 36.6 -59.7 -29.9 8.6 60.1 18.1 11 31 A S < + 0 0 91 -4,-0.6 2,-0.4 -3,-0.1 -1,-0.2 -0.978 63.0 164.7-133.2 121.9 8.2 56.7 19.7 12 32 A F - 0 0 51 -2,-0.4 2,-0.6 210,-0.1 214,-0.1 -0.915 13.3-168.1-140.5 116.9 10.9 54.4 21.0 13 33 A S - 0 0 93 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.888 22.9-133.4-103.8 118.2 10.4 51.4 23.3 14 34 A I - 0 0 57 -2,-0.6 2,-1.9 1,-0.1 3,-0.1 -0.506 14.7-124.0 -76.4 133.8 13.6 50.0 24.8 15 35 A D >> - 0 0 101 -2,-0.2 4,-2.3 1,-0.2 3,-1.2 -0.597 28.6-163.6 -77.3 83.9 14.0 46.2 24.8 16 36 A N H 3> S+ 0 0 93 -2,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.726 83.5 46.0 -39.1 -41.9 14.5 45.9 28.5 17 37 A Q H 3> S+ 0 0 144 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.815 110.6 52.5 -77.5 -32.0 16.0 42.4 28.4 18 38 A V H <> S+ 0 0 46 -3,-1.2 4,-2.9 2,-0.2 5,-0.2 0.934 108.6 51.7 -67.1 -45.3 18.4 43.2 25.5 19 39 A A H X S+ 0 0 20 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.885 112.0 45.3 -57.9 -43.4 19.7 46.2 27.5 20 40 A E H X S+ 0 0 101 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.839 111.9 53.1 -69.9 -34.0 20.3 44.1 30.6 21 41 A K H X S+ 0 0 138 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.940 114.7 40.7 -65.0 -49.0 22.0 41.4 28.4 22 42 A Y H X S+ 0 0 40 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.914 114.6 51.9 -64.9 -47.9 24.3 44.0 26.8 23 43 A A H X S+ 0 0 40 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.869 110.0 50.1 -58.7 -39.0 25.0 45.8 30.1 24 44 A K H X S+ 0 0 170 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.887 112.8 44.0 -70.2 -40.0 25.9 42.5 31.8 25 45 A E H X S+ 0 0 60 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.847 108.2 60.0 -73.2 -32.1 28.3 41.4 29.2 26 46 A I H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.864 98.6 57.2 -62.3 -38.6 29.9 44.9 29.0 27 47 A E H X S+ 0 0 98 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.892 110.4 44.8 -59.7 -39.8 30.9 44.8 32.6 28 48 A A H X S+ 0 0 50 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.903 115.8 45.3 -70.4 -43.9 32.8 41.6 31.9 29 49 A L H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.775 109.8 57.8 -69.9 -26.5 34.4 43.0 28.8 30 50 A K H X S+ 0 0 34 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.902 107.3 46.4 -69.4 -41.5 35.1 46.2 30.7 31 51 A E H X S+ 0 0 83 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.894 110.5 51.9 -68.1 -40.8 37.1 44.3 33.3 32 52 A Q H X S+ 0 0 92 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.925 112.1 47.2 -60.6 -44.7 39.1 42.4 30.6 33 53 A T H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.4 0.881 108.2 55.1 -64.4 -41.7 40.0 45.7 28.9 34 54 A R H >X S+ 0 0 54 -4,-2.1 4,-3.2 1,-0.3 3,-0.6 0.942 107.4 49.5 -58.0 -47.6 41.0 47.3 32.2 35 55 A N H 3< S+ 0 0 100 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.721 104.5 59.5 -64.6 -21.9 43.4 44.5 32.9 36 56 A M H 3< S+ 0 0 49 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.868 113.1 38.7 -71.3 -37.0 44.8 45.0 29.4 37 57 A L H << S+ 0 0 8 -4,-1.6 -2,-0.2 -3,-0.6 -3,-0.1 0.913 115.8 49.4 -76.7 -47.3 45.6 48.6 30.4 38 58 A L S < S+ 0 0 98 -4,-3.2 -1,-0.2 -5,-0.1 -3,-0.2 0.382 89.2 125.5 -72.9 3.4 46.8 47.7 33.9 39 59 A A - 0 0 47 -5,-0.3 2,-0.3 -3,-0.2 3,-0.2 -0.362 54.6-137.5 -66.0 145.7 48.9 45.1 32.3 40 60 A T S S+ 0 0 136 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.807 71.0 38.1-109.0 147.5 52.6 45.2 33.0 41 61 A G S S+ 0 0 90 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.940 72.9 147.4 82.0 56.5 55.6 44.7 30.7 42 62 A M - 0 0 65 -3,-0.2 -1,-0.2 1,-0.0 5,-0.0 -0.961 46.3-118.0-126.5 137.2 54.5 46.5 27.5 43 63 A K > - 0 0 156 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.121 30.2-112.5 -61.9 168.3 56.6 48.4 24.9 44 64 A L H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.980 117.1 51.2 -68.0 -52.5 55.9 52.1 24.4 45 65 A A H > S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.842 111.4 48.8 -51.9 -39.7 54.5 51.6 20.9 46 66 A D H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 110.8 48.7 -69.4 -41.7 52.2 48.9 22.2 47 67 A T H X S+ 0 0 21 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.903 112.6 47.7 -65.6 -42.5 50.8 50.9 25.1 48 68 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.831 111.5 51.9 -68.1 -31.8 50.1 53.9 22.9 49 69 A N H X S+ 0 0 86 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.834 108.3 51.1 -73.2 -33.1 48.4 51.7 20.3 50 70 A L H X S+ 0 0 23 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.969 112.6 45.0 -67.1 -52.3 46.2 50.2 23.0 51 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.923 113.2 51.4 -56.4 -49.4 45.1 53.6 24.2 52 72 A D H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.906 111.7 46.2 -55.4 -48.2 44.6 54.9 20.7 53 73 A T H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.920 111.0 50.8 -64.9 -44.5 42.4 52.0 19.7 54 74 A I H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 6,-0.8 0.882 114.3 46.9 -60.4 -37.8 40.3 52.1 22.8 55 75 A E H ><5S+ 0 0 39 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.913 111.0 49.1 -70.0 -45.6 39.7 55.8 22.2 56 76 A R H 3<5S+ 0 0 30 -4,-2.7 135,-0.3 1,-0.3 134,-0.3 0.745 106.9 57.8 -65.6 -24.7 38.9 55.4 18.5 57 77 A L T 3<5S- 0 0 1 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.496 113.3-121.7 -83.0 -4.6 36.4 52.6 19.4 58 78 A G T < 5S+ 0 0 6 -3,-1.4 -3,-0.2 -5,-0.1 3,-0.2 0.673 86.8 103.6 73.4 20.6 34.6 55.2 21.7 59 79 A I > < + 0 0 0 -5,-1.9 3,-1.7 1,-0.1 4,-0.3 0.430 42.6 99.7-111.6 -0.6 35.0 53.2 24.9 60 80 A S G > + 0 0 25 -6,-0.8 3,-1.4 1,-0.3 7,-0.2 0.652 63.5 81.2 -60.5 -17.0 37.8 55.2 26.5 61 81 A Y G 3 S+ 0 0 35 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.561 86.5 58.3 -68.1 -7.4 35.3 57.0 28.7 62 82 A H G < S+ 0 0 34 -3,-1.7 -1,-0.3 1,-0.2 3,-0.2 0.646 109.0 44.3 -91.8 -20.6 35.3 54.0 31.0 63 83 A F <> + 0 0 0 -3,-1.4 4,-2.4 -4,-0.3 5,-0.3 -0.289 65.1 131.8-120.0 45.7 39.0 54.2 31.7 64 84 A E H > S+ 0 0 106 -3,-0.4 4,-1.6 2,-0.2 5,-0.1 0.935 82.0 44.9 -60.5 -43.9 39.5 57.9 32.2 65 85 A K H > S+ 0 0 129 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.972 115.1 44.7 -62.1 -60.1 41.6 57.1 35.3 66 86 A E H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.907 114.6 47.4 -52.9 -53.1 43.7 54.3 33.8 67 87 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 -7,-0.2 -1,-0.2 0.852 111.3 52.1 -60.3 -38.5 44.5 56.1 30.6 68 88 A D H X S+ 0 0 47 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.977 108.6 48.7 -63.2 -56.0 45.5 59.3 32.4 69 89 A D H X S+ 0 0 64 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.865 113.1 49.2 -51.4 -42.2 47.9 57.5 34.8 70 90 A I H X S+ 0 0 26 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.918 112.6 45.0 -66.6 -46.2 49.5 55.8 31.9 71 91 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.817 108.4 59.8 -68.6 -28.6 50.0 58.9 29.7 72 92 A D H X S+ 0 0 65 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.947 105.8 46.7 -64.1 -48.8 51.2 60.8 32.8 73 93 A Q H X S+ 0 0 126 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.942 111.0 51.7 -57.6 -50.5 54.1 58.4 33.2 74 94 A I H < S+ 0 0 5 -4,-1.8 5,-0.3 1,-0.2 -1,-0.2 0.856 108.9 52.1 -54.9 -38.3 55.0 58.5 29.5 75 95 A Y H >< S+ 0 0 89 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.964 115.8 39.3 -62.1 -54.7 55.1 62.3 29.7 76 96 A N H 3< S+ 0 0 118 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 111.8 57.1 -65.3 -35.5 57.4 62.3 32.7 77 97 A Q T 3< S- 0 0 104 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.268 90.9-152.3 -85.5 15.9 59.6 59.4 31.4 78 98 A N < - 0 0 119 -3,-1.0 -3,-0.1 -5,-0.2 2,-0.1 0.655 15.2-146.0 8.0 108.4 60.4 61.2 28.1 79 99 A S - 0 0 30 -5,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.346 16.9-143.3 -92.2 171.1 61.1 58.5 25.4 80 100 A N + 0 0 116 -2,-0.1 2,-1.0 2,-0.0 7,-0.0 -0.587 30.4 161.2-133.8 68.2 63.4 58.1 22.4 81 101 A C - 0 0 31 -2,-0.1 6,-0.2 1,-0.1 -2,-0.0 -0.821 24.4-163.0 -93.7 102.6 61.4 56.2 19.8 82 102 A N + 0 0 123 -2,-1.0 2,-0.6 4,-0.1 -1,-0.1 0.375 63.0 107.1 -66.1 7.0 63.3 57.0 16.5 83 103 A D > - 0 0 76 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.801 64.5-153.1 -91.1 119.4 60.1 55.7 14.9 84 104 A L H > S+ 0 0 2 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.921 94.4 58.0 -55.6 -44.0 58.1 58.6 13.4 85 105 A C H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 110.6 37.9 -51.8 -56.2 55.0 56.6 13.8 86 106 A T H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.821 116.5 54.2 -69.3 -33.4 55.2 56.1 17.6 87 107 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.951 109.9 44.7 -65.7 -51.9 56.6 59.6 18.1 88 108 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.880 116.5 47.1 -60.7 -40.5 53.7 61.4 16.3 89 109 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.3 5,-0.3 0.897 111.5 50.6 -69.1 -41.3 51.2 59.2 18.1 90 110 A Q H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 5,-0.3 0.925 111.9 49.6 -61.1 -42.9 52.9 59.8 21.5 91 111 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 10,-0.2 0.961 112.6 45.3 -60.0 -55.3 52.8 63.5 20.7 92 112 A R H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.923 111.9 49.2 -56.5 -53.6 49.1 63.6 19.8 93 113 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.916 115.2 43.9 -54.9 -49.0 47.7 61.5 22.7 94 114 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.6 -5,-0.3 3,-0.9 0.957 115.1 48.2 -62.3 -51.1 49.6 63.5 25.3 95 115 A R H ><5S+ 0 0 5 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.919 109.0 53.1 -56.0 -46.3 48.8 66.9 23.8 96 116 A Q H 3<5S+ 0 0 45 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.736 110.4 50.3 -61.9 -22.3 45.1 65.9 23.5 97 117 A H T <<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.322 125.3-101.2 -98.1 6.3 45.2 65.1 27.2 98 118 A G T < 5S+ 0 0 2 -3,-2.1 379,-2.4 1,-0.3 2,-0.8 0.487 75.4 140.1 89.8 2.2 46.8 68.4 28.2 99 119 A F < - 0 0 5 -5,-2.6 2,-2.6 -6,-0.2 -1,-0.3 -0.733 49.9-141.7 -83.8 111.8 50.3 67.1 28.6 100 120 A N + 0 0 84 -2,-0.8 2,-0.2 377,-0.2 -1,-0.1 -0.408 30.1 178.9 -73.4 68.8 52.6 69.8 27.1 101 121 A I - 0 0 9 -2,-2.6 -26,-0.0 -10,-0.2 -3,-0.0 -0.551 34.8-103.6 -74.3 138.3 55.1 67.4 25.5 102 122 A S > - 0 0 61 -2,-0.2 3,-1.0 1,-0.1 -1,-0.1 -0.353 13.9-141.2 -65.1 137.6 57.9 69.2 23.6 103 123 A P G > S+ 0 0 21 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.378 86.8 93.3 -78.8 3.3 57.7 69.3 19.8 104 124 A E G > + 0 0 124 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.682 63.2 82.6 -68.3 -17.7 61.4 68.8 19.7 105 125 A I G < S+ 0 0 17 -3,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.684 89.5 53.0 -60.2 -17.4 60.7 65.1 19.5 106 126 A F G X S+ 0 0 0 -3,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.549 83.7 83.4 -95.5 -12.7 60.2 65.7 15.7 107 127 A S G X S+ 0 0 48 -3,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.816 83.1 62.9 -63.2 -27.3 63.5 67.4 15.1 108 128 A K G 3 S+ 0 0 57 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.676 101.6 53.9 -69.9 -14.7 65.2 64.0 14.7 109 129 A F G < S+ 0 0 9 -3,-1.6 8,-2.6 2,-0.1 2,-0.3 0.340 104.8 64.3-100.3 3.1 62.9 63.5 11.7 110 130 A Q B < S-A 116 0A 18 -3,-1.5 6,-0.3 6,-0.3 0, 0.0 -0.936 81.3-110.0-130.5 152.5 63.9 66.7 9.9 111 131 A D > - 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0 0 35 -3,-1.9 2,-0.1 -4,-0.3 -3,-0.0 -0.421 68.9-109.3 -80.2 155.9 47.4 50.4 0.1 163 183 A K > - 0 0 157 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.390 54.3 -61.5 -78.4 162.4 45.7 47.3 1.5 164 184 A S T 4 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.2 30,-0.1 -0.658 112.7 13.1 -93.4 150.4 42.3 47.4 3.2 165 185 A P T > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.979 121.2 63.9 -86.0 5.9 41.1 48.7 5.5 166 186 A L H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.903 100.3 56.0 -52.9 -44.0 44.2 50.9 5.8 167 187 A R H X S+ 0 0 96 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.882 109.5 45.4 -56.2 -42.1 43.4 52.5 2.5 168 188 A E H > S+ 0 0 68 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.794 110.9 53.1 -73.0 -29.9 40.0 53.6 3.8 169 189 A Q H X S+ 0 0 34 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.899 114.1 42.9 -70.4 -40.1 41.4 54.8 7.0 170 190 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.958 113.5 49.4 -69.1 -52.5 43.9 57.0 5.1 171 191 A T H X S+ 0 0 54 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.870 113.6 48.5 -54.8 -39.5 41.4 58.3 2.5 172 192 A H H X S+ 0 0 39 -4,-1.7 4,-2.5 2,-0.2 3,-0.5 0.858 106.8 55.7 -69.0 -39.7 39.0 59.1 5.3 173 193 A A H < S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 104.2 53.6 -60.7 -40.8 41.8 60.9 7.3 174 194 A L H < S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.751 115.5 40.6 -66.2 -24.1 42.5 63.2 4.3 175 195 A E H < S+ 0 0 116 -4,-0.7 2,-0.3 -3,-0.5 -2,-0.2 0.748 135.1 10.7 -93.3 -28.4 38.8 64.1 4.2 176 196 A Q S < S- 0 0 24 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.846 72.2-144.9-155.6 111.4 38.3 64.4 8.0 177 197 A C - 0 0 7 -2,-0.3 -45,-0.1 -3,-0.2 -3,-0.0 -0.298 22.8-121.5 -71.3 162.1 41.1 64.4 10.6 178 198 A L S > S+ 0 0 38 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.922 104.6 55.0 -71.2 -46.4 40.5 62.7 14.0 179 199 A H T 3 S+ 0 0 2 1,-0.3 -1,-0.2 -47,-0.2 315,-0.1 0.777 113.2 40.7 -59.9 -33.1 41.1 65.7 16.3 180 200 A K T 3 S+ 0 0 35 2,-0.1 -1,-0.3 314,-0.1 2,-0.2 0.165 98.6 96.8-103.6 15.7 38.5 68.0 14.6 181 201 A G S < S- 0 0 2 -3,-1.4 314,-0.1 -5,-0.1 313,-0.1 -0.696 85.2 -93.4-104.5 159.4 35.8 65.4 14.0 182 202 A V > - 0 0 2 -2,-0.2 4,-2.6 312,-0.2 5,-0.3 -0.571 34.5-131.1 -72.3 125.1 32.7 64.6 16.1 183 203 A P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.858 103.5 40.7 -40.7 -59.0 33.5 61.7 18.6 184 204 A R H > S+ 0 0 6 71,-0.2 4,-2.4 1,-0.2 5,-0.1 0.873 114.8 53.0 -62.8 -39.8 30.4 59.5 17.9 185 205 A V H > S+ 0 0 13 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 114.5 40.8 -63.6 -41.6 30.7 60.1 14.2 186 206 A E H X S+ 0 0 22 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.857 113.5 53.7 -75.1 -36.1 34.3 59.1 14.1 187 207 A T H X S+ 0 0 9 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.910 107.3 52.7 -62.9 -42.1 33.8 56.2 16.5 188 208 A R H X S+ 0 0 25 -4,-2.4 4,-2.0 1,-0.2 5,-0.4 0.932 111.4 45.6 -58.9 -49.3 31.0 54.9 14.2 189 209 A F H X>S+ 0 0 52 -4,-1.6 4,-1.9 3,-0.2 5,-0.7 0.866 113.5 49.4 -63.3 -40.6 33.3 54.9 11.2 190 210 A F H X>S+ 0 0 14 -4,-2.3 5,-2.2 -134,-0.3 4,-1.6 0.971 114.8 41.8 -65.5 -54.1 36.2 53.3 13.0 191 211 A I H <>S+ 0 0 0 -4,-2.5 5,-1.6 -135,-0.3 -2,-0.2 0.970 126.2 32.6 -55.8 -59.6 34.3 50.4 14.5 192 212 A S H <5S+ 0 0 38 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.922 130.6 28.2 -67.4 -50.6 32.2 49.6 11.5 193 213 A S H <5S+ 0 0 40 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.738 131.3 18.3 -89.1 -25.2 34.6 50.5 8.6 194 214 A I T >< - 0 0 56 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.915 17.5-154.7-100.9 112.6 41.3 42.3 19.0 203 223 A N H > S+ 0 0 113 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.791 90.8 55.6 -57.9 -34.6 38.0 40.5 19.4 204 224 A V H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 113.4 41.4 -65.6 -45.0 37.5 41.4 23.0 205 225 A L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.855 113.7 52.3 -70.4 -39.3 37.8 45.2 22.2 206 226 A L H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.920 112.8 44.0 -63.9 -45.0 35.7 45.0 19.0 207 227 A R H X S+ 0 0 86 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.918 113.6 51.3 -66.0 -42.4 32.8 43.2 20.7 208 228 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.913 111.7 48.9 -58.3 -43.9 33.1 45.6 23.7 209 229 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.893 112.1 45.8 -63.5 -47.5 33.0 48.6 21.2 210 230 A K H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 312,-0.3 0.891 113.9 48.1 -65.8 -42.9 30.0 47.4 19.2 211 231 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 113.5 47.2 -64.5 -45.1 27.9 46.5 22.3 212 232 A D H X S+ 0 0 6 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.951 111.5 49.6 -62.2 -51.5 28.6 49.8 24.0 213 233 A F H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.921 114.8 45.5 -54.0 -47.4 27.9 51.9 21.0 214 234 A N H X S+ 0 0 7 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.825 112.3 50.8 -67.1 -34.3 24.6 50.1 20.5 215 235 A L H X S+ 0 0 40 -4,-2.2 4,-1.2 2,-0.2 3,-0.3 0.911 111.8 46.5 -70.3 -42.8 23.6 50.3 24.1 216 236 A L H X S+ 0 0 10 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.864 106.3 60.2 -66.0 -35.9 24.3 54.1 24.3 217 237 A Q H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.845 99.9 55.9 -60.3 -33.9 22.3 54.4 21.0 218 238 A M H X S+ 0 0 28 -4,-1.0 4,-1.4 -3,-0.3 -1,-0.2 0.897 109.1 47.2 -64.4 -38.7 19.3 53.0 22.9 219 239 A L H X S+ 0 0 38 -4,-1.2 4,-2.2 2,-0.2 3,-0.3 0.931 112.1 49.1 -66.7 -46.3 19.7 55.7 25.4 220 240 A H H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.928 109.3 52.7 -60.3 -43.8 20.0 58.4 22.7 221 241 A K H X S+ 0 0 51 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.808 108.2 51.1 -62.9 -31.0 17.0 57.1 21.0 222 242 A Q H X S+ 0 0 61 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.918 111.6 48.0 -69.7 -45.6 15.0 57.3 24.2 223 243 A E H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 109.7 50.2 -60.5 -50.4 16.1 60.9 24.7 224 244 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.797 110.2 53.6 -60.9 -27.7 15.3 62.0 21.1 225 245 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 -5,-0.2 -2,-0.2 0.966 108.3 46.9 -70.5 -52.2 11.8 60.4 21.6 226 246 A Q H X S+ 0 0 106 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.853 116.9 46.0 -56.2 -37.9 11.1 62.4 24.8 227 247 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.899 108.7 53.2 -73.0 -43.6 12.3 65.5 23.0 228 248 A S H X S+ 0 0 15 -4,-2.5 4,-1.3 -219,-0.2 -2,-0.2 0.800 112.4 47.8 -62.1 -27.8 10.3 64.8 19.9 229 249 A R H X S+ 0 0 110 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.911 110.9 49.3 -75.7 -49.2 7.3 64.5 22.1 230 250 A W H < S+ 0 0 40 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.897 113.7 47.0 -56.2 -43.5 8.1 67.7 24.0 231 251 A W H >X>S+ 0 0 17 -4,-3.0 4,-1.1 1,-0.2 3,-0.8 0.847 112.4 49.7 -66.8 -38.7 8.5 69.5 20.6 232 252 A K H 3<5S+ 0 0 123 -4,-1.3 3,-0.3 1,-0.2 -2,-0.2 0.876 103.3 60.0 -68.3 -39.6 5.3 68.0 19.3 233 253 A D T 3<5S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.505 107.5 47.3 -67.7 -6.5 3.4 69.1 22.5 234 254 A L T <45S- 0 0 57 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.679 92.8-157.0-102.2 -31.4 4.3 72.7 21.6 235 255 A D T X5 + 0 0 66 -4,-1.1 4,-1.3 -3,-0.3 3,-0.5 0.937 27.4 163.8 51.1 64.6 3.3 72.4 17.9 236 256 A F T 4< + 0 0 7 -5,-0.5 7,-0.3 1,-0.2 4,-0.2 0.338 64.0 75.4 -88.5 6.3 5.4 75.2 16.4 237 257 A V T 4 S+ 0 0 76 -5,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.731 110.2 22.3 -88.9 -25.4 4.7 73.7 12.9 238 258 A T T 4 S+ 0 0 97 -3,-0.5 -2,-0.2 2,-0.1 -3,-0.1 0.765 128.5 45.2-106.4 -40.8 1.2 74.9 12.6 239 259 A T S < S+ 0 0 60 -4,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.852 130.1 24.6 -72.2 -36.4 1.1 77.8 15.1 240 260 A L S > S+ 0 0 1 -5,-0.2 3,-1.5 -4,-0.2 -1,-0.3 -0.583 72.0 167.6-130.5 70.1 4.4 79.2 13.8 241 261 A P T 3 + 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.522 69.4 67.3 -60.8 -12.2 4.8 78.0 10.2 242 262 A Y T 3 S+ 0 0 45 2,-0.1 2,-0.2 37,-0.0 -5,-0.1 0.736 85.7 89.1 -81.8 -23.3 7.7 80.3 9.3 243 263 A A S < S- 0 0 15 -3,-1.5 36,-0.1 -7,-0.3 -3,-0.1 -0.505 84.0-107.5 -79.5 144.0 10.0 78.5 11.7 244 264 A R - 0 0 132 34,-0.3 2,-0.8 -2,-0.2 -1,-0.1 -0.298 15.7-137.2 -68.3 149.6 12.1 75.5 10.7 245 265 A D + 0 0 36 -244,-0.6 -1,-0.1 1,-0.1 3,-0.1 -0.878 55.0 128.9-110.2 94.3 11.3 71.9 11.8 246 266 A R > + 0 0 24 -2,-0.8 4,-2.3 -243,-0.1 5,-0.2 -0.049 10.8 133.5-139.5 35.4 14.8 70.5 12.7 247 267 A V H > S+ 0 0 10 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.843 77.1 55.2 -56.6 -35.7 14.5 69.0 16.2 248 268 A V H >> S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.950 109.4 45.5 -63.3 -48.3 16.4 65.9 15.0 249 269 A E H 3> S+ 0 0 6 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.861 109.1 56.3 -62.5 -38.2 19.3 68.0 13.8 250 270 A C H 3X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.786 106.7 51.2 -64.7 -27.6 19.3 70.0 17.0 251 271 A Y H - 0 0 25 1,-0.1 3,-1.4 2,-0.1 -2,-0.0 -0.178 67.8-128.2 -55.2 143.7 28.0 59.9 27.7 261 281 A P G > S+ 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.773 107.5 65.6 -63.2 -29.0 25.0 58.6 29.7 262 282 A Q G 3 S+ 0 0 110 1,-0.3 134,-0.3 2,-0.1 3,-0.2 0.703 99.3 53.7 -67.0 -21.0 26.1 60.6 32.7 263 283 A Y G <> S+ 0 0 25 -3,-1.4 4,-2.4 1,-0.2 -1,-0.3 0.021 75.3 117.3-100.9 25.5 25.4 63.7 30.6 264 284 A S H <> S+ 0 0 35 -3,-1.5 4,-1.7 1,-0.2 5,-0.2 0.949 76.1 42.3 -57.7 -55.4 21.9 62.6 29.8 265 285 A Q H > S+ 0 0 59 -3,-0.2 4,-2.6 -4,-0.2 5,-0.2 0.900 114.3 51.8 -61.0 -43.7 20.0 65.4 31.5 266 286 A A H > S+ 0 0 0 128,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.929 107.9 51.8 -58.5 -48.4 22.4 68.1 30.1 267 287 A R H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.851 112.0 46.2 -58.7 -38.0 22.0 66.8 26.6 268 288 A V H X S+ 0 0 17 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.909 113.1 48.5 -72.9 -43.0 18.2 67.0 26.8 269 289 A M H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.905 113.8 50.1 -62.0 -38.6 18.3 70.5 28.4 270 290 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.936 106.0 51.3 -66.5 -50.9 20.7 71.5 25.6 271 291 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.874 108.6 54.6 -56.7 -35.8 18.7 70.2 22.7 272 292 A K H X S+ 0 0 30 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.910 109.6 46.2 -64.0 -42.8 15.7 72.1 24.0 273 293 A T H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.907 111.3 51.8 -66.6 -42.6 17.6 75.4 24.1 274 294 A I H X S+ 0 0 14 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.903 112.7 45.6 -61.4 -41.4 19.0 74.8 20.6 275 295 A S H X S+ 0 0 3 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.889 113.3 50.3 -68.0 -41.2 15.5 74.2 19.2 276 296 A M H >X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 3,-1.0 0.933 111.9 44.6 -63.9 -50.7 14.1 77.2 21.1 277 297 A I H 3X S+ 0 0 7 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.670 103.8 67.3 -69.6 -15.3 16.8 79.7 19.9 278 298 A S H 3X S+ 0 0 25 -4,-0.8 4,-1.7 -5,-0.3 -34,-0.3 0.833 102.3 46.7 -71.1 -31.5 16.3 78.2 16.4 279 299 A I H X S+ 0 0 32 -4,-1.9 4,-2.4 1,-0.2 3,-1.4 0.976 108.9 45.8 -60.2 -58.5 16.6 83.1 14.8 282 302 A D H 3X>S+ 0 0 9 -4,-1.7 4,-2.2 1,-0.3 5,-1.8 0.767 105.5 64.4 -56.5 -27.0 14.0 82.5 12.1 283 303 A T H 3<5S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.848 112.6 33.0 -65.6 -35.8 11.9 85.2 13.8 284 304 A F H <<5S+ 0 0 14 -3,-1.4 -2,-0.2 -4,-1.1 -1,-0.2 0.783 124.5 45.2 -89.0 -31.7 14.5 87.8 13.0 285 305 A D H <5S+ 0 0 82 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.888 128.7 9.7 -80.5 -50.1 15.7 86.2 9.7 286 306 A A T <5S+ 0 0 77 -4,-2.2 -3,-0.2 -5,-0.2 -4,-0.1 0.811 127.0 25.8-101.8 -45.2 12.6 85.3 7.7 287 307 A Y S - 0 0 80 1,-0.1 4,-3.1 0, 0.0 5,-0.2 -0.537 30.6-102.5 -94.8 163.0 9.1 93.4 10.9 290 310 A V H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.906 124.4 46.0 -47.1 -54.5 11.6 96.0 12.3 291 311 A K H > S+ 0 0 184 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.900 114.4 49.5 -58.2 -42.7 9.0 97.5 14.7 292 312 A E H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.884 108.1 52.2 -64.7 -43.7 8.0 93.9 15.8 293 313 A L H X S+ 0 0 4 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.825 103.9 56.5 -65.2 -33.1 11.6 92.8 16.4 294 314 A E H X S+ 0 0 97 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.887 107.5 48.7 -66.6 -38.1 12.4 95.7 18.7 295 315 A A H X S+ 0 0 35 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.845 112.5 49.0 -68.7 -35.0 9.4 94.9 21.0 296 316 A Y H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.958 112.5 47.1 -68.4 -49.8 10.6 91.2 21.1 297 317 A T H X S+ 0 0 9 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.932 113.9 49.0 -55.1 -50.1 14.2 92.3 21.9 298 318 A D H X S+ 0 0 64 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.910 109.4 50.8 -57.2 -48.1 12.9 94.6 24.5 299 319 A A H X S+ 0 0 6 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.880 107.2 54.1 -60.1 -41.4 10.6 92.0 26.1 300 320 A I H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 106.6 52.0 -60.5 -42.8 13.5 89.5 26.3 301 321 A Q H < S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.882 114.4 42.2 -62.2 -39.6 15.6 92.0 28.2 302 322 A R H < S- 0 0 143 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.913 91.3-163.1 -73.3 -43.7 12.9 92.6 30.8 303 323 A W < + 0 0 48 -4,-3.1 2,-0.3 1,-0.2 -3,-0.1 0.986 37.4 123.8 56.9 73.5 12.0 88.9 31.0 304 324 A D > - 0 0 68 -5,-0.4 3,-2.3 1,-0.1 -1,-0.2 -0.920 66.4-127.1-159.9 134.2 8.5 88.9 32.6 305 325 A I G > S+ 0 0 94 -2,-0.3 3,-2.3 1,-0.3 4,-0.3 0.783 103.4 76.3 -54.4 -27.0 5.2 87.5 31.5 306 326 A N G 3 S+ 0 0 110 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.677 86.7 63.6 -59.0 -16.1 3.6 90.9 32.0 307 327 A E G X S+ 0 0 21 -3,-2.3 3,-0.6 1,-0.2 4,-0.4 0.524 76.1 88.4 -87.6 -7.1 5.3 91.9 28.7 308 328 A I G X S+ 0 0 48 -3,-2.3 3,-2.7 1,-0.2 -1,-0.2 0.912 78.6 61.5 -57.1 -46.3 3.4 89.5 26.5 309 329 A D G 3 S+ 0 0 114 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.814 97.7 59.1 -50.1 -37.7 0.5 91.9 25.9 310 330 A R G < S+ 0 0 175 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.628 97.1 81.1 -68.7 -14.9 2.9 94.3 24.2 311 331 A L S < S- 0 0 5 -3,-2.7 5,-0.1 -4,-0.4 -19,-0.0 -0.669 89.7-103.5 -98.2 149.7 3.8 91.6 21.7 312 332 A P >> - 0 0 38 0, 0.0 4,-1.2 0, 0.0 3,-0.6 -0.292 44.4-101.2 -63.6 154.8 1.9 90.4 18.5 313 333 A D H 3> S+ 0 0 128 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.819 120.2 49.9 -49.4 -40.3 0.1 87.2 19.0 314 334 A Y H 3> S+ 0 0 38 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.872 110.0 49.4 -70.9 -35.5 2.6 85.0 17.2 315 335 A M H <> S+ 0 0 0 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.661 101.2 66.5 -75.5 -15.5 5.5 86.4 19.2 316 336 A K H X S+ 0 0 55 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.862 99.0 52.3 -69.4 -37.2 3.5 85.7 22.3 317 337 A I H X S+ 0 0 63 -4,-0.9 4,-2.0 -3,-0.4 -2,-0.2 0.975 113.0 41.3 -62.2 -57.3 3.7 82.0 21.6 318 338 A S H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 3,-0.4 0.968 115.3 51.4 -54.6 -57.9 7.5 82.0 21.3 319 339 A Y H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.848 110.3 47.3 -49.5 -46.7 8.0 84.3 24.3 320 340 A K H X S+ 0 0 118 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.881 110.5 52.8 -66.6 -37.1 5.9 82.3 26.6 321 341 A A H X S+ 0 0 10 -4,-2.0 4,-2.2 -3,-0.4 -1,-0.2 0.864 105.1 57.0 -64.6 -36.2 7.6 79.0 25.6 322 342 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.879 109.1 42.8 -64.0 -42.8 11.0 80.6 26.4 323 343 A L H X S+ 0 0 25 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.865 112.4 53.4 -73.0 -37.1 10.2 81.4 30.0 324 344 A D H X S+ 0 0 65 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.913 106.4 54.2 -61.2 -44.1 8.5 78.1 30.6 325 345 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.945 111.7 42.6 -55.5 -52.3 11.6 76.3 29.4 326 346 A Y H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.759 113.0 54.7 -66.9 -22.5 13.8 78.2 31.8 327 347 A K H X S+ 0 0 131 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.854 108.0 49.2 -76.1 -35.7 11.1 77.6 34.4 328 348 A D H X S+ 0 0 57 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.898 108.8 53.6 -67.6 -41.9 11.3 73.8 33.6 329 349 A Y H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 105.9 51.7 -59.3 -45.3 15.1 74.0 34.0 330 350 A E H X S+ 0 0 56 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.846 109.7 50.9 -62.1 -35.3 14.9 75.6 37.4 331 351 A K H >X S+ 0 0 137 -4,-1.3 3,-0.9 2,-0.2 4,-0.7 0.927 109.2 48.8 -69.3 -46.4 12.6 72.8 38.5 332 352 A E H >< S+ 0 0 54 -4,-2.2 3,-0.5 1,-0.3 4,-0.5 0.903 114.5 46.7 -59.1 -42.5 14.9 70.0 37.3 333 353 A L H 3X>S+ 0 0 3 -4,-2.1 5,-2.3 1,-0.2 4,-1.7 0.551 92.8 81.6 -77.9 -9.5 17.8 71.6 39.0 334 354 A S H <<5S+ 0 0 65 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.900 86.3 56.6 -62.2 -43.8 15.8 72.1 42.3 335 355 A S T <<5S+ 0 0 122 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.911 112.6 40.2 -54.3 -48.1 16.5 68.6 43.4 336 356 A A T 45S- 0 0 70 -4,-0.5 -1,-0.2 1,-0.0 -2,-0.2 0.776 112.0-121.3 -74.0 -25.6 20.2 69.0 43.2 337 357 A G T <5S+ 0 0 48 -4,-1.7 -3,-0.2 0, 0.0 3,-0.2 0.694 84.7 112.9 89.0 22.5 20.0 72.5 44.6 338 358 A R > < + 0 0 28 -5,-2.3 3,-1.1 1,-0.1 4,-0.2 0.017 30.1 122.1-112.1 23.8 21.6 74.1 41.6 339 359 A S G > + 0 0 32 -6,-0.6 3,-1.2 1,-0.2 4,-0.2 0.810 63.4 65.3 -56.7 -34.5 18.5 75.9 40.5 340 360 A H G > S+ 0 0 109 1,-0.2 3,-1.3 -3,-0.2 4,-0.3 0.753 81.0 75.7 -62.8 -30.6 20.2 79.3 40.6 341 361 A I G X> S+ 0 0 3 -3,-1.1 3,-1.2 1,-0.2 4,-0.7 0.657 73.2 85.7 -60.2 -14.5 22.7 78.6 37.8 342 362 A V H X> S+ 0 0 2 -3,-1.2 4,-1.9 1,-0.2 3,-1.0 0.867 75.2 68.5 -54.8 -40.1 19.9 79.1 35.2 343 363 A C H <> S+ 0 0 58 -3,-1.3 4,-2.9 1,-0.3 -1,-0.2 0.808 90.3 62.6 -50.8 -36.2 20.4 82.9 35.1 344 364 A H H <> S+ 0 0 39 -3,-1.2 4,-1.1 -4,-0.3 -1,-0.3 0.903 106.6 43.0 -58.2 -44.7 23.8 82.5 33.4 345 365 A A H S+ 0 0 24 -4,-2.2 5,-2.2 1,-0.2 4,-1.0 0.761 108.4 56.4 -64.8 -30.1 22.2 96.7 9.7 363 383 A F H <5S+ 0 0 97 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.925 108.1 45.4 -69.0 -45.5 20.3 94.8 7.0 364 384 A I H <5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 113.8 48.3 -64.2 -45.4 17.7 97.5 6.5 365 385 A E H <5S- 0 0 130 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.748 107.7-124.0 -68.4 -24.7 20.2 100.4 6.4 366 386 A G T <5 + 0 0 32 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.834 48.5 176.6 78.9 35.1 22.4 98.5 4.0 367 387 A Y < - 0 0 79 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.0 -0.567 24.2-172.7 -79.7 134.7 25.3 98.9 6.4 368 388 A T - 0 0 18 -2,-0.3 71,-0.1 71,-0.1 -1,-0.0 -0.761 18.8-167.5-127.6 82.0 28.6 97.3 5.6 369 389 A P - 0 0 2 0, 0.0 79,-0.2 0, 0.0 2,-0.2 -0.002 28.9 -91.7 -66.4 167.0 30.8 97.7 8.8 370 390 A P >> - 0 0 54 0, 0.0 4,-2.9 0, 0.0 3,-0.5 -0.530 43.5-105.4 -76.5 155.1 34.6 97.2 9.2 371 391 A V H 3> S+ 0 0 11 73,-0.4 4,-3.0 1,-0.2 5,-0.3 0.877 119.2 58.6 -47.6 -45.6 35.6 93.7 10.3 372 392 A S H 3> S+ 0 0 102 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.918 114.1 36.4 -51.8 -50.3 36.4 94.9 13.8 373 393 A E H <> S+ 0 0 71 -3,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.883 114.2 57.4 -71.7 -41.1 32.8 96.1 14.3 374 394 A Y H >X S+ 0 0 14 -4,-2.9 4,-3.1 1,-0.2 3,-1.5 0.943 108.6 45.0 -53.7 -54.0 31.3 93.3 12.4 375 395 A L H 3X S+ 0 0 31 -4,-3.0 4,-1.5 1,-0.3 5,-0.2 0.756 99.5 72.6 -62.8 -26.4 32.8 90.6 14.6 376 396 A S H 3< S+ 0 0 98 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.738 117.8 18.0 -62.5 -21.2 31.8 92.7 17.7 377 397 A N H < S+ 0 0 22 -4,-1.5 3,-1.4 -5,-0.2 5,-0.4 0.947 103.0 44.0 -66.7 -46.8 30.3 86.5 17.3 380 400 A A G >4 S+ 0 0 5 -3,-0.4 3,-2.2 1,-0.3 6,-0.3 0.842 102.8 67.9 -67.5 -30.0 27.4 86.3 19.7 381 401 A T G 3< S+ 0 0 15 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.522 84.7 70.6 -68.9 -3.2 25.0 85.6 16.9 382 402 A T G < S- 0 0 12 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.686 100.7-139.0 -80.9 -19.0 26.7 82.3 16.4 383 403 A T <> + 0 0 19 -3,-2.2 4,-3.3 -4,-0.2 5,-0.2 0.326 67.3 123.7 74.5 -0.5 25.0 81.4 19.7 384 404 A Y H > + 0 0 17 -5,-0.4 4,-2.2 1,-0.2 5,-0.2 0.787 69.4 51.4 -60.6 -32.1 28.1 79.6 20.8 385 405 A Y H > S+ 0 0 11 -6,-0.2 4,-1.6 -5,-0.2 -1,-0.2 0.907 116.3 44.2 -68.6 -39.5 28.6 81.7 24.0 386 406 A Y H > S+ 0 0 0 -6,-0.3 4,-2.2 -38,-0.2 -2,-0.2 0.910 115.0 46.2 -68.7 -46.8 25.0 80.8 24.8 387 407 A L H X S+ 0 0 14 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.891 111.6 51.6 -65.7 -41.9 25.2 77.1 23.9 388 408 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.902 111.6 47.7 -62.0 -41.1 28.5 76.6 25.8 389 409 A T H >X S+ 0 0 5 -4,-1.6 3,-0.7 1,-0.2 4,-0.5 0.908 109.8 52.5 -65.6 -41.8 26.9 78.2 28.9 390 410 A T H >X S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.6 0.852 98.0 68.7 -61.8 -34.2 23.8 76.0 28.4 391 411 A S H 3< S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.3 3,-0.4 0.840 96.7 51.7 -51.9 -42.4 26.2 73.0 28.3 392 412 A Y H << S+ 0 0 0 -4,-0.8 3,-0.3 -3,-0.7 6,-0.3 0.661 88.9 83.1 -73.2 -18.1 27.0 73.4 32.0 393 413 A L H << S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.913 99.9 32.7 -53.4 -50.3 23.4 73.4 33.1 394 414 A G S < S+ 0 0 2 -4,-0.6 2,-1.3 -3,-0.4 -128,-0.4 0.582 90.0 106.5 -85.4 -11.4 22.9 69.7 33.2 395 415 A M > - 0 0 0 -4,-0.4 3,-2.7 -3,-0.3 -132,-0.1 -0.579 63.2-152.4 -74.0 96.6 26.5 68.9 34.2 396 416 A K T 3 S+ 0 0 153 -2,-1.3 -1,-0.2 -134,-0.3 -133,-0.0 0.579 90.1 49.9 -45.0 -19.2 25.9 67.9 37.9 397 417 A S T 3 S+ 0 0 57 2,-0.1 2,-0.3 -5,-0.0 -1,-0.3 0.524 77.3 117.6-102.9 -6.5 29.4 68.9 38.8 398 418 A A < - 0 0 6 -3,-2.7 2,-0.1 -6,-0.3 0, 0.0 -0.465 49.7-159.7 -66.2 122.3 29.6 72.4 37.3 399 419 A T > - 0 0 66 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.380 32.6-102.6 -97.7 176.2 30.0 75.1 40.0 400 420 A E H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.860 122.6 56.6 -64.8 -36.1 29.4 78.8 40.2 401 421 A Q H > S+ 0 0 131 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.827 103.5 53.4 -65.3 -34.3 33.1 79.4 39.8 402 422 A D H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 111.5 44.5 -67.5 -42.2 33.0 77.5 36.5 403 423 A F H X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.802 111.4 56.4 -69.2 -30.2 30.2 79.7 35.2 404 424 A E H X S+ 0 0 92 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.948 107.8 46.0 -64.5 -51.2 32.2 82.6 36.6 405 425 A W H >< S+ 0 0 47 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.899 112.5 51.3 -58.3 -45.3 35.2 81.7 34.5 406 426 A L H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.808 100.0 63.3 -63.9 -34.2 33.1 81.1 31.4 407 427 A S H 3< S+ 0 0 58 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.720 90.5 67.6 -65.2 -23.5 31.4 84.5 31.7 408 428 A K T << S- 0 0 168 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.353 113.0-115.5 -79.0 7.3 34.7 86.3 31.2 409 429 A N < - 0 0 56 -3,-1.5 -2,-0.1 1,-0.1 -3,-0.1 0.985 38.3-149.0 54.5 63.0 34.8 85.0 27.6 410 430 A P > - 0 0 17 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.163 20.6-108.5 -58.1 158.1 37.9 82.8 28.0 411 431 A K H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 117.1 53.8 -60.7 -36.6 40.2 82.3 25.0 412 432 A I H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 114.4 42.4 -65.1 -41.5 39.2 78.7 24.4 413 433 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 113.1 52.8 -67.2 -47.5 35.6 79.7 24.2 414 434 A E H X S+ 0 0 43 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.876 109.5 50.2 -55.3 -41.1 36.4 82.8 22.2 415 435 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.860 107.9 51.8 -67.5 -38.7 38.2 80.6 19.7 416 436 A S H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.928 110.9 48.8 -63.4 -44.0 35.3 78.2 19.4 417 437 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.862 109.9 51.9 -62.9 -39.7 33.0 81.1 18.6 418 438 A I H X S+ 0 0 40 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.908 107.4 51.5 -65.3 -43.6 35.4 82.5 16.0 419 439 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.933 111.5 48.3 -59.8 -45.6 35.7 79.2 14.2 420 440 A C H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.955 115.2 43.9 -59.7 -52.4 31.9 78.9 14.0 421 441 A R H X S+ 0 0 18 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.958 116.3 45.9 -56.9 -57.5 31.5 82.5 12.7 422 442 A V H X S+ 0 0 2 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.853 115.6 44.5 -56.2 -44.4 34.3 82.3 10.2 423 443 A I H X S+ 0 0 10 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.911 113.5 50.9 -69.3 -42.3 33.3 78.9 8.7 424 444 A D H X S+ 0 0 30 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.935 109.6 51.5 -59.2 -46.6 29.7 79.9 8.6 425 445 A D H < S+ 0 0 2 -4,-2.8 4,-0.4 1,-0.2 17,-0.2 0.817 109.6 48.2 -61.5 -36.9 30.5 83.1 6.8 426 446 A T H < S+ 0 0 16 -4,-1.5 4,-0.4 -5,-0.2 -1,-0.2 0.889 118.6 40.6 -71.8 -39.4 32.7 81.4 4.1 427 447 A A H < S+ 0 0 30 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.987 121.0 38.4 -72.2 -60.7 30.0 78.8 3.5 428 448 A T S X S+ 0 0 28 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.349 91.8 97.6 -75.7 7.1 26.8 80.9 3.6 429 449 A Y H > S+ 0 0 1 -4,-0.4 4,-2.3 -5,-0.2 5,-0.2 0.987 81.2 44.0 -59.1 -70.1 28.4 83.9 1.8 430 450 A E H > S+ 0 0 111 -4,-0.4 4,-1.0 -3,-0.3 -1,-0.2 0.764 117.9 49.6 -46.2 -31.9 27.3 83.4 -1.8 431 451 A V H >4 S+ 0 0 79 -4,-0.3 3,-0.5 2,-0.2 4,-0.4 0.973 111.2 43.2 -73.8 -58.9 23.8 82.7 -0.5 432 452 A E H ><>S+ 0 0 32 -4,-2.3 5,-2.2 1,-0.2 3,-0.8 0.759 106.4 65.5 -59.7 -28.0 23.2 85.6 1.9 433 453 A K H ><5S+ 0 0 99 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.938 100.1 49.4 -59.6 -48.5 24.7 87.9 -0.7 434 454 A S T <<5S+ 0 0 110 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.533 105.2 60.6 -69.2 -8.5 21.8 87.3 -3.1 435 455 A R T < 5S- 0 0 177 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.346 120.9-105.5 -99.9 4.3 19.4 87.9 -0.3 436 456 A G T < 5S+ 0 0 36 -3,-1.8 2,-1.9 1,-0.2 -3,-0.2 0.569 71.7 145.1 84.1 8.7 20.7 91.5 0.2 437 457 A Q > < + 0 0 41 -5,-2.2 3,-1.3 1,-0.2 -1,-0.2 -0.562 9.4 161.7 -80.4 78.7 22.7 90.8 3.4 438 458 A I T 3 + 0 0 64 -2,-1.9 -1,-0.2 1,-0.3 -5,-0.1 0.402 65.3 78.4 -78.6 7.8 25.6 93.1 2.8 439 459 A A T 3 + 0 0 8 -71,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.363 67.8 121.6 -93.3 1.2 26.2 92.7 6.5 440 460 A T S X> S- 0 0 3 -3,-1.3 4,-1.8 1,-0.1 3,-0.5 -0.334 72.6-116.3 -67.2 151.0 27.8 89.3 6.0 441 461 A G H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 111.3 51.0 -54.5 -50.7 31.4 88.8 7.2 442 462 A I H 3> S+ 0 0 0 -17,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.818 110.3 53.0 -61.0 -29.3 33.1 88.1 3.8 443 463 A E H <> S+ 0 0 41 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.919 110.1 46.1 -71.3 -43.7 31.5 91.3 2.5 444 464 A C H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -73,-0.4 0.845 111.4 53.3 -65.8 -36.5 32.8 93.4 5.4 445 465 A C H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 6,-0.3 0.819 109.5 48.2 -69.0 -33.1 36.3 91.8 5.0 446 466 A M H X>S+ 0 0 35 -4,-1.4 5,-1.2 -5,-0.2 4,-1.0 0.909 115.7 42.4 -73.5 -44.1 36.3 92.7 1.3 447 467 A R H <5S+ 0 0 169 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.2 0.862 116.8 48.7 -70.6 -38.0 35.3 96.4 1.9 448 468 A D H <5S+ 0 0 74 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.980 123.6 27.1 -67.7 -58.6 37.6 96.8 4.9 449 469 A Y H <5S- 0 0 121 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.517 102.8-124.2 -83.3 -7.4 40.8 95.4 3.5 450 470 A G T <5 + 0 0 66 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.943 65.5 133.7 62.4 48.7 40.0 96.3 -0.1 451 471 A I < - 0 0 35 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.807 55.4 -99.6-126.6 165.9 40.5 92.7 -1.3 452 472 A S > - 0 0 55 -2,-0.3 4,-1.8 -3,-0.1 5,-0.1 -0.052 42.1 -95.0 -75.9-177.9 38.6 90.1 -3.4 453 473 A T H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 122.5 50.4 -66.2 -45.6 36.4 87.3 -2.3 454 474 A K H > S+ 0 0 174 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.939 111.2 47.5 -57.8 -51.6 39.2 84.7 -2.4 455 475 A E H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 112.5 50.4 -57.4 -42.4 41.5 86.8 -0.3 456 476 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.930 112.2 45.7 -63.4 -46.8 38.8 87.5 2.2 457 477 A M H X S+ 0 0 49 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.832 113.0 51.8 -66.2 -31.2 37.9 83.8 2.6 458 478 A A H X S+ 0 0 42 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.907 107.9 50.9 -70.6 -41.5 41.6 83.0 2.8 459 479 A K H X S+ 0 0 80 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.857 111.7 48.7 -63.9 -34.8 42.0 85.6 5.6 460 480 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.5 0.882 106.1 56.1 -71.8 -38.3 39.1 84.0 7.4 461 481 A Q H X S+ 0 0 123 -4,-2.0 4,-1.6 1,-0.3 3,-0.2 0.904 105.9 51.6 -60.3 -40.4 40.5 80.5 7.0 462 482 A N H X S+ 0 0 82 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.744 104.7 57.4 -67.1 -26.7 43.7 81.8 8.7 463 483 A M H X S+ 0 0 51 -4,-0.8 4,-1.9 -3,-0.5 -1,-0.2 0.850 106.8 47.9 -71.9 -35.2 41.5 83.1 11.5 464 484 A A H X S+ 0 0 11 -4,-1.6 4,-2.1 -3,-0.2 -2,-0.2 0.822 110.9 51.0 -73.6 -32.7 40.1 79.6 12.0 465 485 A E H X S+ 0 0 80 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.912 112.1 46.7 -68.4 -44.6 43.6 78.1 12.0 466 486 A T H X S+ 0 0 58 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.896 111.5 53.4 -62.7 -40.3 44.7 80.6 14.6 467 487 A A H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.876 107.8 49.3 -63.4 -40.7 41.6 79.8 16.5 468 488 A W H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.886 107.7 53.3 -67.7 -38.6 42.3 76.0 16.5 469 489 A K H X S+ 0 0 38 -4,-2.0 4,-1.7 1,-0.2 -330,-0.3 0.831 109.8 51.0 -64.1 -31.0 45.9 76.5 17.8 470 490 A D H X S+ 0 0 20 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.828 108.8 49.0 -74.1 -35.7 44.3 78.5 20.6 471 491 A I H X S+ 0 0 0 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.953 111.4 50.2 -67.6 -46.8 41.9 75.8 21.5 472 492 A N H >< S+ 0 0 7 -4,-2.8 3,-0.9 -335,-0.3 4,-0.3 0.890 112.7 46.7 -57.0 -41.8 44.7 73.2 21.5 473 493 A E H >< S+ 0 0 93 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.854 105.0 61.3 -69.8 -34.6 46.7 75.5 23.8 474 494 A G H 3< S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.612 98.2 58.6 -68.8 -12.6 43.7 76.1 26.0 475 495 A L T << S+ 0 0 13 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.560 82.4 107.2 -91.6 -12.5 43.6 72.3 26.8 476 496 A L S < S- 0 0 25 -3,-1.4 -377,-0.2 -4,-0.3 -378,-0.1 -0.457 76.5 -72.5 -73.2 137.5 47.1 72.3 28.2 477 497 A R S S+ 0 0 103 -379,-2.4 -377,-0.2 -2,-0.2 -1,-0.1 -0.427 115.0 52.6 -71.5 146.7 47.6 71.9 32.0 478 498 A P S S- 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.329 85.2-163.5 -78.0 125.4 47.1 73.6 34.2 479 499 A T - 0 0 36 -4,-0.2 -2,-0.1 1,-0.1 -4,-0.1 -0.489 25.8-124.4 -75.3 146.1 43.7 74.1 32.7 480 500 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.831 94.2 2.3 -56.0 -37.7 41.6 77.0 34.0 481 501 A V S S- 0 0 15 1,-0.1 5,-0.1 -76,-0.0 -2,-0.0 -0.853 109.1 -56.3-140.9 172.5 38.8 74.7 35.0 482 502 A S > - 0 0 69 -2,-0.3 3,-2.8 1,-0.1 4,-0.4 -0.249 48.1-119.8 -57.1 141.0 38.3 70.9 34.8 483 503 A T G >> S+ 0 0 67 1,-0.3 4,-2.3 2,-0.2 3,-2.3 0.822 110.6 76.5 -49.8 -31.5 38.8 69.4 31.4 484 504 A E G 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.774 98.4 42.8 -51.8 -28.7 35.2 68.2 31.8 485 505 A F G <4 S+ 0 0 4 -3,-2.8 4,-0.3 2,-0.1 -1,-0.3 0.450 110.9 54.8-101.5 0.4 34.2 71.8 31.1 486 506 A L T <> S+ 0 0 0 -3,-2.3 4,-2.2 -4,-0.4 3,-0.4 0.784 94.3 67.0 -98.3 -36.9 36.6 72.4 28.2 487 507 A T H X S+ 0 0 50 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.860 95.5 55.9 -52.7 -44.1 35.5 69.4 26.1 488 508 A P H > S+ 0 0 4 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.919 109.8 46.9 -56.9 -41.1 32.0 70.8 25.4 489 509 A I H > S+ 0 0 0 -3,-0.4 4,-1.3 -4,-0.3 -2,-0.2 0.902 113.0 48.9 -65.4 -42.2 33.7 73.9 24.0 490 510 A L H X S+ 0 0 12 -4,-2.2 4,-1.4 1,-0.2 3,-0.4 0.926 111.1 50.7 -62.7 -44.3 36.1 71.8 22.0 491 511 A N H X S+ 0 0 8 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.816 102.3 59.9 -64.8 -32.7 33.1 69.7 20.7 492 512 A L H X S+ 0 0 5 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.886 107.2 47.0 -63.0 -38.0 31.2 72.8 19.6 493 513 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.2 0.812 109.9 53.4 -71.7 -33.1 34.1 73.7 17.3 494 514 A R H X S+ 0 0 29 -4,-1.4 4,-2.4 2,-0.2 -312,-0.2 0.899 104.4 55.0 -68.5 -40.9 34.2 70.1 16.0 495 515 A I H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.859 106.3 52.1 -59.4 -39.5 30.5 70.2 15.1 496 516 A V H X S+ 0 0 5 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.951 110.1 48.0 -61.6 -50.8 31.1 73.4 13.0 497 517 A E H < S+ 0 0 47 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.4 45.6 -56.2 -42.1 33.9 71.6 11.1 498 518 A V H >< S+ 0 0 4 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.842 114.0 47.1 -72.4 -37.4 31.6 68.6 10.6 499 519 A T H 3< S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.892 117.5 39.6 -74.0 -43.3 28.5 70.5 9.5 500 520 A Y T 3< S+ 0 0 70 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.198 79.0 165.8-101.5 42.3 30.1 72.9 7.0 501 521 A I < + 0 0 59 -3,-0.7 -3,-0.1 1,-0.2 -4,-0.0 -0.388 67.6 12.9 -62.2 126.6 32.5 70.4 5.5 502 522 A H 0 0 156 -2,-0.1 -1,-0.2 -5,-0.1 -5,-0.0 0.995 360.0 360.0 65.0 78.5 33.9 71.8 2.3 503 523 A N 0 0 100 -3,-0.1 -2,-0.1 -75,-0.0 -80,-0.0 0.852 360.0 360.0 -97.7 360.0 32.9 75.5 2.5 504 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 505 529 A H 0 0 174 0, 0.0 4,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 148.8 25.0 72.4 1.7 506 530 A P >> - 0 0 78 0, 0.0 3,-3.2 0, 0.0 4,-0.5 0.786 360.0 -13.6 -56.4-139.1 22.5 71.8 4.7 507 531 A E H 3> S+ 0 0 56 1,-0.3 4,-1.7 2,-0.2 -8,-0.0 0.441 116.7 82.8 -54.0 -3.7 20.9 68.8 6.4 508 532 A K H 34 S+ 0 0 158 2,-0.2 -1,-0.3 1,-0.2 0, 0.0 0.747 92.9 47.1 -73.0 -24.9 22.2 66.8 3.4 509 533 A V H <> S+ 0 0 30 -3,-3.2 4,-0.5 -4,-0.2 -2,-0.2 0.820 115.3 44.5 -83.4 -34.9 25.5 66.8 5.3 510 534 A L H X S+ 0 0 4 -4,-0.5 4,-2.3 1,-0.2 5,-0.2 0.699 93.6 80.1 -82.9 -24.5 23.9 65.7 8.6 511 535 A K H X S+ 0 0 115 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.928 92.4 47.2 -49.8 -57.1 21.6 63.0 7.3 512 536 A P H > S+ 0 0 61 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.897 113.4 49.6 -54.6 -42.4 24.2 60.3 7.0 513 537 A H H X S+ 0 0 41 -4,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.876 110.2 49.8 -63.8 -42.0 25.5 61.0 10.5 514 538 A I H X>S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.8 0.881 112.6 47.4 -64.7 -41.3 22.0 60.9 12.0 515 539 A I H X>S+ 0 0 47 -4,-2.3 5,-2.2 3,-0.2 4,-1.3 0.956 114.8 45.1 -65.4 -49.4 21.3 57.6 10.3 516 540 A N H <5S+ 0 0 63 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.776 124.0 35.5 -67.0 -26.0 24.5 56.0 11.4 517 541 A L H <5S+ 0 0 4 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.807 134.1 15.1 -98.6 -34.0 24.2 57.4 14.9 518 542 A L H <5S+ 0 0 1 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.594 128.7 36.8-119.4 -16.8 20.5 57.2 15.7 519 543 A V T <