==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-JUL-11 3T3V . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.T.LARSON,E.A.MERRITT . 453 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.4 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 . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 4 2 2 0 0 0 4 1 0 2 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 45 A A 0 0 121 0, 0.0 2,-0.4 0, 0.0 74,-0.3 0.000 360.0 360.0 360.0 143.3 5.4 10.6 82.8 2 46 A I >> - 0 0 93 1,-0.1 4,-0.8 72,-0.1 3,-0.5 -0.893 360.0-140.6-111.4 136.1 8.5 12.9 82.7 3 47 A F H >> S+ 0 0 5 -2,-0.4 4,-2.3 1,-0.2 3,-1.1 0.912 99.9 47.6 -61.6 -50.4 10.8 13.1 79.6 4 48 A S H 34 S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.2 343,-0.1 0.656 101.3 66.2 -71.5 -18.2 14.2 13.3 81.4 5 49 A D H <4 S+ 0 0 117 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.832 116.2 28.2 -63.6 -33.1 13.2 10.4 83.8 6 50 A R H << S+ 0 0 95 -3,-1.1 21,-3.1 -4,-0.8 22,-0.4 0.782 121.8 44.7 -98.5 -38.1 13.2 8.1 80.7 7 51 A Y E < -A 26 0A 3 -4,-2.3 2,-0.4 19,-0.2 19,-0.2 -0.882 55.9-159.4-121.1 145.1 15.7 9.7 78.2 8 52 A K E -A 25 0A 92 17,-2.5 17,-2.7 -2,-0.4 2,-0.3 -0.959 28.3-114.5-118.5 142.3 19.2 11.2 78.4 9 53 A G E +A 24 0A 39 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.564 29.1 176.0 -75.5 130.8 20.7 13.6 75.8 10 54 A Q E - 0 0 77 13,-3.6 2,-0.3 1,-0.4 14,-0.2 0.808 63.3 -43.8 -96.9 -49.4 23.7 12.3 73.8 11 55 A R E -A 23 0A 153 12,-1.5 12,-3.2 0, 0.0 2,-0.5 -0.965 61.5 -82.0-173.1 167.4 24.1 15.3 71.5 12 56 A V E -A 22 0A 59 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.725 26.5-169.9 -86.3 123.2 22.4 17.8 69.2 13 57 A L E - 0 0 68 8,-2.4 2,-0.3 -2,-0.5 9,-0.2 0.784 57.0 -88.2 -78.2 -31.0 21.5 16.4 65.8 14 58 A G E -A 21 0A 31 7,-1.6 7,-3.3 2,-0.0 2,-0.5 -0.905 45.4 -58.4 150.7-176.7 20.6 19.9 64.6 15 59 A K E +A 20 0A 64 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.868 51.4 166.0-100.0 132.0 17.9 22.5 64.2 16 60 A G E > -A 19 0A 23 3,-2.3 3,-0.9 -2,-0.5 2,-0.1 -0.631 48.6 -47.6-123.4-170.7 14.7 21.7 62.3 17 61 A S T 3 S+ 0 0 24 1,-0.2 -1,-0.1 -2,-0.2 143,-0.0 -0.398 122.8 2.6 -60.2 134.6 11.3 23.2 61.9 18 62 A F T 3 S- 0 0 25 -2,-0.1 21,-0.5 24,-0.1 2,-0.3 0.238 130.0 -8.9 75.4 -11.2 9.7 24.2 65.2 19 63 A G E < S-A 16 0A 17 -3,-0.9 -3,-2.3 19,-0.2 19,-0.2 -0.973 80.4 -62.8 171.2 175.9 12.6 23.2 67.4 20 64 A E E -AB 15 37A 93 17,-0.8 17,-2.8 -2,-0.3 2,-0.5 -0.497 41.0-137.8 -79.8 151.0 16.0 21.6 68.1 21 65 A V E -AB 14 36A 26 -7,-3.3 -8,-2.4 15,-0.2 -7,-1.6 -0.962 18.7-167.2-117.5 125.2 16.5 17.9 67.6 22 66 A I E -AB 12 35A 3 13,-2.3 13,-2.9 -2,-0.5 2,-0.7 -0.915 23.4-128.7-116.5 131.0 18.5 16.0 70.1 23 67 A L E -AB 11 34A 9 -12,-3.2 -13,-3.6 -2,-0.4 -12,-1.5 -0.731 42.8-178.9 -73.9 114.6 20.0 12.5 69.8 24 68 A C E -AB 9 33A 0 9,-3.2 9,-3.0 -2,-0.7 2,-0.4 -0.786 20.1-145.3-118.2 162.6 18.7 10.9 73.0 25 69 A K E -AB 8 32A 65 -17,-2.7 -17,-2.5 -2,-0.3 2,-0.3 -0.990 23.6-115.4-131.8 135.5 19.1 7.5 74.7 26 70 A D E > -A 7 0A 7 5,-2.9 4,-1.6 -2,-0.4 -19,-0.2 -0.546 24.7-140.0 -67.6 127.5 16.6 5.5 76.8 27 71 A K T 4 S+ 0 0 104 -21,-3.1 -1,-0.1 -2,-0.3 -20,-0.1 0.637 95.4 29.8 -67.7 -18.1 18.1 5.2 80.3 28 72 A I T 4 S+ 0 0 158 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.821 128.3 31.9-104.7 -53.1 17.0 1.6 80.7 29 73 A T T 4 S- 0 0 98 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.579 93.0-128.6 -88.0 -15.9 16.9 -0.1 77.3 30 74 A G < + 0 0 32 -4,-1.6 2,-0.2 1,-0.2 -3,-0.1 0.500 50.2 160.1 75.7 7.1 19.7 1.8 75.7 31 75 A Q - 0 0 77 -6,-0.1 -5,-2.9 1,-0.1 2,-0.3 -0.405 34.1-137.5 -66.8 129.2 17.5 2.7 72.7 32 76 A E E +B 25 0A 91 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.667 28.6 174.4 -85.7 141.8 18.7 5.7 70.7 33 77 A C E -B 24 0A 0 -9,-3.0 -9,-3.2 -2,-0.3 2,-0.6 -0.978 34.0-125.2-144.8 156.3 16.1 8.2 69.5 34 78 A A E -BC 23 84A 15 50,-2.7 50,-3.1 -2,-0.3 2,-0.7 -0.926 31.2-162.4-103.4 115.9 15.8 11.6 67.7 35 79 A V E -BC 22 83A 0 -13,-2.9 -13,-2.3 -2,-0.6 2,-0.6 -0.881 9.8-153.8-110.4 111.0 13.8 14.0 69.9 36 80 A K E -BC 21 82A 19 46,-2.8 46,-2.9 -2,-0.7 2,-0.6 -0.740 15.2-157.8 -80.7 121.0 12.3 17.1 68.5 37 81 A V E -BC 20 81A 17 -17,-2.8 -17,-0.8 -2,-0.6 2,-0.6 -0.897 4.8-163.6-108.3 115.2 12.0 19.6 71.3 38 82 A I E - C 0 80A 0 42,-2.6 42,-2.2 -2,-0.6 2,-0.5 -0.895 11.9-142.1-107.7 116.9 9.4 22.3 70.8 39 83 A S E > - C 0 79A 18 -2,-0.6 4,-2.2 -21,-0.5 3,-0.4 -0.656 3.1-153.6 -78.7 119.0 9.5 25.4 73.0 40 84 A K T 4 S+ 0 0 54 38,-2.7 -1,-0.1 -2,-0.5 39,-0.1 0.831 94.7 53.4 -61.6 -35.5 6.0 26.6 73.9 41 85 A R T 4 S+ 0 0 159 37,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.855 116.3 37.6 -66.3 -37.8 7.2 30.2 74.4 42 86 A Q T 4 S+ 0 0 118 -3,-0.4 2,-0.5 1,-0.2 -2,-0.2 0.716 118.4 49.4 -89.9 -25.4 8.8 30.3 70.9 43 87 A V S < S- 0 0 15 -4,-2.2 2,-0.2 -25,-0.1 -1,-0.2 -0.965 73.4-147.6-126.0 118.5 6.2 28.3 69.0 44 88 A K - 0 0 136 -2,-0.5 115,-2.9 115,-0.3 2,-0.4 -0.535 16.2-125.2 -82.3 146.8 2.5 29.0 69.2 45 89 A Q B -E 158 0B 58 113,-0.2 113,-0.3 -2,-0.2 112,-0.1 -0.761 16.2-169.8 -89.9 136.3 -0.1 26.2 68.9 46 90 A K S S+ 0 0 84 111,-2.1 112,-0.2 -2,-0.4 2,-0.1 0.760 73.4 50.3 -90.5 -34.4 -2.9 26.6 66.2 47 91 A T S S- 0 0 37 110,-0.9 2,-0.1 1,-0.1 -2,-0.1 -0.448 90.5-100.8 -96.6 172.8 -5.0 23.7 67.5 48 92 A D > - 0 0 80 -2,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.371 37.0-100.1 -87.3 172.9 -6.3 22.8 70.9 49 93 A K H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 119.3 54.3 -59.2 -48.2 -4.8 20.3 73.4 50 94 A E H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 109.1 48.7 -56.5 -39.4 -7.4 17.5 72.5 51 95 A S H > S+ 0 0 42 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.885 111.9 47.7 -71.3 -41.9 -6.6 17.7 68.8 52 96 A L H X S+ 0 0 7 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.945 112.0 49.8 -63.3 -49.5 -2.8 17.5 69.3 53 97 A L H X S+ 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.906 112.8 46.9 -55.1 -45.9 -3.1 14.6 71.7 54 98 A R H X S+ 0 0 195 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.855 111.7 50.4 -68.6 -37.5 -5.3 12.7 69.3 55 99 A E H X S+ 0 0 37 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.931 110.8 49.3 -63.2 -48.7 -3.1 13.4 66.3 56 100 A V H X S+ 0 0 9 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.893 109.1 52.9 -56.2 -44.1 -0.0 12.2 68.2 57 101 A Q H X S+ 0 0 98 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.873 110.6 47.2 -62.9 -39.2 -1.9 9.0 69.2 58 102 A L H >X S+ 0 0 53 -4,-1.8 3,-1.5 2,-0.2 4,-0.8 0.959 109.9 53.0 -62.8 -51.2 -2.8 8.3 65.5 59 103 A L H >< S+ 0 0 30 -4,-2.8 3,-0.9 1,-0.3 11,-0.4 0.846 102.1 59.3 -56.2 -37.8 0.9 9.0 64.4 60 104 A K H 3< S+ 0 0 68 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.792 108.0 46.6 -60.5 -29.7 2.2 6.5 67.0 61 105 A Q H << S+ 0 0 139 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.545 94.0 96.7 -90.9 -11.2 0.1 3.8 65.3 62 106 A L << - 0 0 18 -3,-0.9 2,-0.3 -4,-0.8 8,-0.3 -0.556 49.4-177.6 -84.8 148.6 1.1 4.7 61.7 63 107 A D + 0 0 116 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.941 14.9 145.8-151.5 120.5 3.9 2.8 59.9 64 108 A H > - 0 0 26 3,-0.4 3,-1.9 -2,-0.3 53,-0.0 -0.961 47.2-126.1-155.9 138.1 5.4 3.3 56.5 65 109 A P T 3 S+ 0 0 65 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.655 110.3 46.9 -63.6 -16.9 9.0 2.9 55.2 66 110 A N T 3 S+ 0 0 12 82,-0.1 83,-2.7 47,-0.1 2,-0.4 0.235 100.6 79.4-108.5 13.5 9.2 6.4 53.8 67 111 A I B < S-f 149 0C 17 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.970 88.7-106.3-121.4 133.3 7.8 8.2 56.9 68 112 A M - 0 0 56 81,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.347 39.0-122.2 -54.0 128.7 9.7 9.0 60.1 69 113 A K - 0 0 40 -4,-0.1 16,-2.7 -2,-0.1 2,-0.5 -0.660 20.8-153.0 -78.4 125.1 8.5 6.7 62.8 70 114 A L E +D 84 0A 15 -2,-0.4 14,-0.2 -11,-0.4 3,-0.1 -0.879 20.2 169.4 -98.9 130.5 7.1 8.4 65.9 71 115 A Y E + 0 0 63 12,-2.8 2,-0.3 -2,-0.5 13,-0.2 0.839 55.6 6.1-104.4 -50.9 7.4 6.4 69.2 72 116 A E E -D 83 0A 51 11,-1.7 11,-2.2 2,-0.0 2,-0.4 -0.920 48.3-151.7-142.6 161.6 6.5 8.7 72.1 73 117 A F E +D 82 0A 31 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 15.2 177.7-140.3 130.6 5.1 12.1 73.2 74 118 A F E -D 81 0A 19 7,-2.3 7,-3.5 -2,-0.4 2,-0.4 -0.959 6.0-168.6-130.4 152.8 5.8 14.1 76.4 75 119 A E E +D 80 0A 58 -74,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.992 10.8 164.4-143.1 130.8 4.7 17.5 77.6 76 120 A D - 0 0 58 3,-2.3 -74,-0.0 -2,-0.4 5,-0.0 -0.426 57.2 -73.8-121.0-156.9 5.8 19.6 80.5 77 121 A K S S+ 0 0 189 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.905 126.4 21.1 -71.3 -40.8 5.3 23.3 81.4 78 122 A G S S+ 0 0 18 1,-0.1 -38,-2.7 -38,-0.1 -37,-0.5 0.592 120.3 39.8-104.9 -15.0 7.7 24.8 78.8 79 123 A Y E -C 39 0A 68 -40,-0.2 -3,-2.3 -39,-0.1 2,-0.4 -0.947 53.5-140.5-143.3 153.0 8.1 22.1 76.1 80 124 A F E -CD 38 75A 2 -42,-2.2 -42,-2.6 -2,-0.3 2,-0.6 -0.951 25.1-152.3-104.0 137.7 6.7 19.4 73.9 81 125 A Y E -CD 37 74A 16 -7,-3.5 -7,-2.3 -2,-0.4 2,-0.6 -0.943 9.6-171.3-116.6 113.6 8.9 16.4 73.4 82 126 A L E -CD 36 73A 20 -46,-2.9 -46,-2.8 -2,-0.6 2,-0.7 -0.911 7.7-161.7-108.1 110.5 8.5 14.4 70.2 83 127 A V E +CD 35 72A 0 -11,-2.2 -12,-2.8 -2,-0.6 -11,-1.7 -0.823 21.6 161.2-101.2 106.7 10.5 11.1 70.3 84 128 A G E -CD 34 70A 1 -50,-3.1 -50,-2.7 -2,-0.7 -14,-0.2 -0.635 45.5 -75.4-119.1 175.7 11.1 9.6 66.9 85 129 A E - 0 0 54 -16,-2.7 2,-0.4 -52,-0.2 -52,-0.1 -0.509 49.3-126.6 -70.2 134.6 13.3 7.1 65.1 86 130 A V - 0 0 30 -54,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.732 20.9-160.2 -86.9 131.4 16.8 8.4 64.4 87 131 A Y - 0 0 24 -2,-0.4 53,-0.2 1,-0.1 3,-0.2 -0.918 8.9-168.8-113.3 143.2 18.2 8.3 60.9 88 132 A T + 0 0 84 51,-1.8 52,-0.2 -2,-0.4 51,-0.2 0.456 65.7 84.6-112.6 -6.9 21.9 8.6 60.1 89 133 A G S S- 0 0 16 49,-1.9 50,-0.2 1,-0.2 51,-0.1 0.471 82.3-141.0 -82.9 -4.3 22.1 9.1 56.3 90 134 A G - 0 0 37 48,-0.4 48,-2.9 -3,-0.2 2,-0.2 -0.168 44.7 -21.8 75.2-170.0 21.6 12.8 56.4 91 135 A E B >> -G 137 0C 45 46,-0.2 4,-1.4 1,-0.1 3,-0.7 -0.542 57.9-124.9 -78.8 138.9 19.7 15.0 54.0 92 136 A L H 3> S+ 0 0 1 44,-2.7 4,-2.3 41,-0.5 3,-0.5 0.869 108.2 50.6 -45.0 -51.5 18.9 13.7 50.5 93 137 A F H 3> S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.807 105.8 56.3 -66.7 -30.2 20.4 16.7 48.6 94 138 A D H <> S+ 0 0 61 -3,-0.7 4,-0.5 2,-0.2 -1,-0.3 0.838 110.9 44.9 -68.6 -34.5 23.7 16.4 50.6 95 139 A E H >< S+ 0 0 43 -4,-1.4 3,-0.6 -3,-0.5 4,-0.4 0.890 111.3 53.7 -70.9 -43.3 24.0 12.8 49.4 96 140 A I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.864 102.3 55.7 -63.0 -41.3 23.1 13.7 45.8 97 141 A I H 3< S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.772 101.4 61.0 -64.4 -24.8 25.8 16.4 45.5 98 142 A S T << S+ 0 0 82 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.594 87.1 97.4 -76.6 -13.1 28.4 13.7 46.5 99 143 A R < - 0 0 30 -3,-1.4 3,-0.1 -4,-0.4 -3,-0.0 -0.469 65.4-148.4 -81.1 151.4 27.6 11.5 43.5 100 144 A K S S+ 0 0 88 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.825 85.1 25.4 -83.5 -37.5 29.5 11.5 40.2 101 145 A R - 0 0 190 178,-0.0 2,-0.3 173,-0.0 -1,-0.2 -0.909 60.3-179.7-127.6 159.7 26.4 10.7 38.1 102 146 A F + 0 0 0 -2,-0.3 173,-4.0 -3,-0.1 2,-0.2 -0.912 10.5 179.3-159.9 127.0 22.7 11.2 38.4 103 147 A S > - 0 0 13 -2,-0.3 4,-2.5 171,-0.2 3,-0.3 -0.705 46.9 -96.3-127.3 174.1 19.9 10.1 36.1 104 148 A E H > S+ 0 0 10 169,-0.4 4,-2.5 1,-0.2 5,-0.1 0.738 123.2 59.3 -61.4 -25.3 16.1 10.1 35.6 105 149 A V H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 108.0 43.5 -68.9 -43.5 16.1 6.6 37.0 106 150 A D H > S+ 0 0 33 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.901 115.8 48.7 -66.5 -43.3 17.7 7.8 40.2 107 151 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.920 111.4 49.7 -62.0 -45.5 15.3 10.8 40.3 108 152 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.881 109.4 51.1 -62.8 -40.4 12.3 8.5 39.6 109 153 A R H X S+ 0 0 115 -4,-2.0 4,-1.4 158,-0.2 -1,-0.2 0.877 112.4 47.5 -65.2 -39.2 13.3 6.1 42.4 110 154 A I H X S+ 0 0 9 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.936 114.1 45.5 -63.9 -50.4 13.6 9.1 44.8 111 155 A I H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.841 107.0 58.1 -68.4 -34.5 10.2 10.6 43.8 112 156 A R H X S+ 0 0 101 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.930 107.9 48.3 -58.1 -45.1 8.4 7.2 44.0 113 157 A Q H X S+ 0 0 36 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.927 113.3 46.3 -60.6 -46.8 9.5 6.9 47.6 114 158 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.945 114.3 47.5 -62.3 -49.0 8.3 10.4 48.4 115 159 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.833 110.0 54.5 -60.9 -34.8 5.0 9.9 46.6 116 160 A S H X S+ 0 0 35 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.934 111.6 42.9 -66.6 -46.3 4.6 6.5 48.4 117 161 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 115.6 49.0 -63.3 -45.8 5.0 8.2 51.9 118 162 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.929 109.1 53.0 -59.8 -48.3 2.8 11.1 50.9 119 163 A T H X S+ 0 0 11 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.906 110.2 48.6 -52.5 -46.2 0.1 8.8 49.5 120 164 A Y H X S+ 0 0 49 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.922 112.3 47.0 -62.9 -45.4 0.1 6.8 52.8 121 165 A M H ><>S+ 0 0 2 -4,-2.3 5,-2.3 1,-0.2 3,-0.7 0.909 109.8 53.8 -66.8 -39.3 -0.2 10.0 55.0 122 166 A H H ><5S+ 0 0 26 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.870 101.8 58.3 -63.4 -38.1 -3.0 11.4 52.8 123 167 A K H 3<5S+ 0 0 148 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.788 108.9 47.2 -57.2 -31.3 -5.0 8.2 53.2 124 168 A N T <<5S- 0 0 48 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.188 120.1-112.8 -97.2 13.7 -4.8 9.0 57.0 125 169 A K T < 5S+ 0 0 180 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.826 71.5 137.3 59.6 35.7 -5.8 12.6 56.4 126 170 A I < - 0 0 2 -5,-2.3 2,-0.3 -8,-0.2 -1,-0.2 -0.970 33.8-166.0-113.8 128.8 -2.4 14.0 57.5 127 171 A V - 0 0 26 -2,-0.5 26,-1.4 1,-0.2 29,-0.3 -0.815 16.4-161.9-113.1 146.1 -0.9 16.8 55.4 128 172 A H + 0 0 2 -2,-0.3 27,-0.4 24,-0.2 2,-0.4 0.903 14.4 176.3 -87.7 -60.1 2.7 18.1 55.4 129 173 A R S S+ 0 0 31 56,-0.2 46,-0.4 1,-0.1 -1,-0.1 -0.102 72.2 61.6 80.8 -34.1 2.3 21.5 53.8 130 174 A D + 0 0 29 -2,-0.4 2,-0.1 21,-0.2 -1,-0.1 -0.121 69.8 157.3-115.5 33.6 6.0 22.4 54.3 131 175 A L + 0 0 1 42,-0.1 64,-0.1 3,-0.1 20,-0.1 -0.409 11.7 143.3 -65.3 130.3 7.5 19.7 52.2 132 176 A K > - 0 0 9 -2,-0.1 3,-2.0 62,-0.0 4,-0.2 -0.955 63.8 -84.9-159.6 168.7 11.1 20.5 51.0 133 177 A P G > S+ 0 0 10 0, 0.0 3,-1.9 0, 0.0 -41,-0.5 0.828 122.0 58.1 -53.2 -38.5 14.4 18.7 50.4 134 178 A E G 3 S+ 0 0 42 1,-0.3 -3,-0.1 -43,-0.1 -44,-0.0 0.637 97.4 62.8 -71.3 -12.7 15.6 19.1 54.0 135 179 A N G < S+ 0 0 1 -3,-2.0 15,-2.9 1,-0.1 2,-0.7 0.394 88.2 83.7 -85.0 -0.2 12.5 17.1 55.1 136 180 A L E < + H 0 149C 0 -3,-1.9 -44,-2.7 13,-0.2 2,-0.2 -0.867 62.9 177.5-106.6 96.1 13.8 14.2 53.1 137 181 A L E -GH 91 148C 34 11,-2.5 11,-3.2 -2,-0.7 2,-0.4 -0.619 28.2-122.7 -93.1 155.3 16.3 12.2 55.3 138 182 A L E - H 0 147C 13 -48,-2.9 -49,-1.9 9,-0.2 -48,-0.4 -0.866 16.5-134.9 -98.3 136.6 18.1 9.0 54.3 139 183 A E S S- 0 0 66 7,-3.1 -51,-1.8 -2,-0.4 2,-0.2 0.877 79.8 -6.5 -57.2 -46.0 17.6 6.1 56.6 140 184 A S S S- 0 0 36 2,-0.3 5,-0.1 -52,-0.2 -53,-0.0 -0.816 76.7 -95.3-140.0 178.9 21.3 5.1 56.8 141 185 A K S S+ 0 0 179 -2,-0.2 2,-0.2 3,-0.1 -2,-0.0 0.380 84.1 118.9 -81.9 3.3 24.6 5.9 55.2 142 186 A S S > S- 0 0 66 1,-0.1 3,-2.2 4,-0.1 -2,-0.3 -0.545 73.2-126.7 -70.9 136.8 24.1 3.0 52.7 143 187 A K T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.739 109.0 45.5 -60.6 -26.9 24.0 4.3 49.1 144 188 A D T 3 S+ 0 0 134 2,-0.0 -1,-0.3 0, 0.0 -3,-0.1 0.368 86.3 147.9 -92.9 3.4 20.7 2.6 48.4 145 189 A A < - 0 0 9 -3,-2.2 2,-0.1 -5,-0.1 -4,-0.0 0.087 50.3-106.4 -53.2 147.2 19.0 3.8 51.7 146 190 A N - 0 0 64 -8,-0.1 -7,-3.1 1,-0.1 2,-0.4 -0.354 30.5-115.7 -68.9 150.0 15.3 4.6 51.9 147 191 A I E - H 0 138C 2 -9,-0.2 2,-0.5 -8,-0.1 -9,-0.2 -0.721 24.9-160.1 -84.7 135.7 14.1 8.1 52.2 148 192 A R E - H 0 137C 23 -11,-3.2 -11,-2.5 -2,-0.4 2,-0.4 -0.980 10.6-142.4-119.3 118.2 12.3 9.1 55.4 149 193 A I E -fH 67 136C 2 -83,-2.7 -81,-2.5 -2,-0.5 2,-0.3 -0.643 19.2-156.8 -80.5 128.9 10.1 12.1 55.3 150 194 A I + 0 0 29 -15,-2.9 -81,-0.0 -2,-0.4 -15,-0.0 -0.758 60.1 27.9-104.9 154.4 10.2 14.3 58.4 151 195 A D >> + 0 0 21 -2,-0.3 3,-1.2 1,-0.2 4,-0.5 0.553 66.0 165.0 80.4 15.8 7.7 16.8 60.0 152 196 A F T 34 S+ 0 0 15 -3,-0.2 -1,-0.2 1,-0.2 -24,-0.2 -0.391 70.2 8.3 -58.7 133.9 4.4 15.4 58.6 153 197 A G T >> S+ 0 0 2 -26,-1.4 4,-0.6 1,-0.1 3,-0.5 0.183 97.5 105.0 86.7 -15.5 1.4 16.8 60.5 154 198 A L H X> S+ 0 0 20 -3,-1.2 4,-2.1 1,-0.2 3,-1.4 0.905 72.1 57.5 -69.3 -42.6 3.3 19.5 62.5 155 199 A S H 3< S+ 0 0 2 -4,-0.5 -1,-0.2 -27,-0.4 5,-0.1 0.693 99.4 62.1 -65.6 -19.9 2.2 22.6 60.5 156 200 A T H <4 S+ 0 0 49 -3,-0.5 -1,-0.3 -29,-0.3 -2,-0.2 0.835 116.9 29.1 -67.5 -32.8 -1.4 21.7 61.2 157 201 A H H << S+ 0 0 4 -3,-1.4 -111,-2.1 -4,-0.6 -110,-0.9 0.643 119.2 50.4-107.1 -18.7 -0.8 22.1 65.0 158 202 A F B < S-E 45 0B 2 -4,-2.1 2,-0.4 -113,-0.3 -113,-0.2 -0.959 75.9-121.9-128.1 142.4 2.0 24.7 65.3 159 203 A E - 0 0 71 -115,-2.9 -115,-0.3 -2,-0.4 -3,-0.1 -0.663 34.9-118.9 -80.8 132.7 2.6 28.1 63.8 160 204 A A - 0 0 45 -2,-0.4 -116,-0.1 -5,-0.1 2,-0.1 -0.314 32.7 -98.4 -69.9 150.2 5.7 28.4 61.7 161 205 A S - 0 0 36 1,-0.1 -1,-0.1 5,-0.1 -118,-0.1 -0.389 17.5-153.0 -68.3 146.4 8.4 30.9 62.7 162 206 A K + 0 0 162 -2,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.368 64.4 111.2 -98.7 -0.4 8.5 34.3 61.0 163 207 A K S >> S- 0 0 97 1,-0.1 3,-1.4 2,-0.0 4,-1.2 -0.616 71.6-134.9 -75.5 131.4 12.3 34.5 61.7 164 208 A M H 3> S+ 0 0 35 -2,-0.3 4,-0.6 1,-0.3 -1,-0.1 0.784 102.8 64.2 -60.7 -29.4 14.3 34.2 58.4 165 209 A K H 34 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.833 110.5 39.4 -63.2 -31.2 16.8 31.8 60.0 166 210 A D H <4 S+ 0 0 62 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.691 113.2 57.1 -85.3 -23.0 13.9 29.4 60.3 167 211 A K H >< S+ 0 0 49 -4,-1.2 3,-2.0 2,-0.1 4,-0.4 0.393 70.3 139.4 -93.2 1.7 12.4 30.3 56.9 168 212 A I T 3< S- 0 0 7 -4,-0.6 250,-0.1 1,-0.3 249,-0.0 -0.263 79.2 -1.8 -61.8 122.0 15.3 29.5 54.6 169 213 A G T 3> S+ 0 0 14 248,-0.3 4,-0.5 -2,-0.1 3,-0.5 0.336 96.9 115.4 86.4 -4.9 14.3 27.8 51.4 170 214 A T H X> + 0 0 40 -3,-2.0 3,-1.1 1,-0.2 4,-1.1 0.882 64.7 63.7 -62.9 -38.6 10.6 27.6 52.3 171 215 A A H 34 S+ 0 0 6 -4,-0.4 3,-0.2 1,-0.3 -1,-0.2 0.798 94.1 58.7 -61.6 -36.2 9.5 30.0 49.5 172 216 A Y H 34 S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.2 34,-0.2 0.818 113.8 35.8 -61.6 -32.2 10.5 27.8 46.6 173 217 A Y H << S+ 0 0 9 -3,-1.1 -1,-0.2 -4,-0.5 21,-0.2 0.572 84.4 111.0-105.4 -16.4 8.3 24.8 47.6 174 218 A I < - 0 0 32 -4,-1.1 -44,-0.1 -3,-0.2 14,-0.1 -0.403 68.2-118.2 -72.0 137.5 5.1 26.2 49.1 175 219 A A >> - 0 0 0 -46,-0.4 4,-1.2 -2,-0.1 3,-1.0 -0.491 18.7-122.7 -74.1 143.3 1.9 25.7 47.1 176 220 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.825 111.0 56.7 -54.6 -36.7 0.1 28.9 45.9 177 221 A E H 3> S+ 0 0 15 1,-0.2 4,-1.0 2,-0.2 5,-0.4 0.752 99.1 59.4 -71.2 -26.5 -3.1 27.9 47.7 178 222 A V H <4 S+ 0 0 15 -3,-1.0 3,-0.4 1,-0.2 -1,-0.2 0.900 103.3 53.3 -64.8 -39.9 -1.2 27.7 51.0 179 223 A L H < S+ 0 0 64 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 111.9 44.3 -60.7 -37.4 -0.3 31.4 50.6 180 224 A H H < S- 0 0 110 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.556 114.2-114.0 -92.4 -10.2 -4.0 32.3 50.1 181 225 A G S < S+ 0 0 51 -4,-1.0 2,-0.8 -3,-0.4 -3,-0.1 0.028 85.4 97.1 109.8 -26.1 -5.4 30.2 52.9 182 226 A T + 0 0 126 -5,-0.4 2,-0.3 2,-0.0 -2,-0.2 -0.867 52.4 143.2-101.2 106.1 -7.6 27.5 51.3 183 227 A Y + 0 0 76 -2,-0.8 2,-0.2 -5,-0.1 -5,-0.0 -0.964 23.5 176.8-144.1 159.1 -5.5 24.4 51.0 184 228 A D > - 0 0 70 -2,-0.3 3,-2.2 -55,-0.0 4,-0.2 -0.705 59.3 -59.2-142.7-168.7 -5.8 20.6 51.3 185 229 A E T >> S+ 0 0 79 1,-0.3 3,-1.7 -2,-0.2 4,-0.5 0.726 117.5 78.0 -57.1 -24.3 -3.5 17.5 50.8 186 230 A K H >> S+ 0 0 27 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.701 76.2 75.8 -58.8 -20.9 -2.9 18.5 47.2 187 231 A C H <> S+ 0 0 0 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.824 89.5 58.1 -61.0 -31.0 -0.4 21.1 48.4 188 232 A D H <> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.2 -1,-0.2 0.793 101.9 53.2 -68.0 -32.1 2.1 18.3 49.1 189 233 A V H S- 0 0 53 1,-0.1 4,-2.1 207,-0.1 5,-0.2 -0.961 89.1 -79.7-162.9 175.5 14.6 37.3 47.7 211 255 A E H > S+ 0 0 41 205,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.909 123.6 47.3 -52.7 -51.1 11.6 35.7 49.6 212 256 A Y H > S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 110.8 50.8 -64.8 -38.4 9.0 38.1 48.3 213 257 A D H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.859 112.2 48.7 -63.4 -38.0 10.1 37.8 44.6 214 258 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.963 111.7 48.1 -65.9 -51.1 10.0 34.0 44.9 215 259 A L H X S+ 0 0 30 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.854 107.8 56.1 -58.0 -39.1 6.5 34.1 46.5 216 260 A K H X S+ 0 0 82 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.912 109.5 46.5 -58.9 -44.0 5.3 36.5 43.7 217 261 A K H X>S+ 0 0 98 -4,-1.7 4,-1.8 -3,-0.2 5,-0.6 0.904 112.7 49.5 -63.9 -44.2 6.5 33.9 41.1 218 262 A V H <5S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.926 109.1 52.0 -60.7 -46.6 4.8 31.0 43.0 219 263 A E H <5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.850 109.9 47.6 -65.8 -35.9 1.6 32.9 43.3 220 264 A K H <5S- 0 0 130 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.831 98.8-152.9 -66.5 -35.4 1.5 33.6 39.6 221 265 A G T <5 + 0 0 11 -4,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.559 41.3 139.3 77.2 11.8 2.3 29.9 39.2 222 266 A K < + 0 0 178 -5,-0.6 2,-0.3 25,-0.0 -1,-0.2 -0.739 17.6 155.5 -97.2 136.1 4.0 30.2 35.9 223 267 A Y - 0 0 52 -2,-0.4 2,-0.3 -17,-0.1 -17,-0.1 -0.921 21.4-146.7-146.9 167.3 7.2 28.3 35.0 224 268 A T - 0 0 83 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.916 21.5-143.0-140.1 164.7 9.0 27.0 31.9 225 269 A F + 0 0 44 -2,-0.3 5,-0.0 1,-0.1 13,-0.0 -0.218 67.0 115.6-114.1 37.7 11.2 24.2 30.6 226 270 A E + 0 0 161 3,-0.0 -1,-0.1 4,-0.0 5,-0.0 0.410 41.4 109.8 -95.2 1.8 13.3 26.4 28.4 227 271 A L S > S- 0 0 60 -3,-0.2 3,-1.0 1,-0.1 4,-0.2 -0.365 80.5-114.3 -70.7 157.1 16.6 26.0 30.1 228 272 A P G > S+ 0 0 90 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.819 112.9 64.2 -60.3 -31.9 19.4 24.0 28.3 229 273 A Q G > S+ 0 0 17 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.759 89.3 67.5 -64.9 -26.6 19.2 21.2 30.9 230 274 A W G X S+ 0 0 2 -3,-1.0 3,-0.6 1,-0.2 -1,-0.3 0.571 83.5 72.4 -76.2 -10.1 15.6 20.3 30.0 231 275 A K G < S+ 0 0 187 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.827 94.2 55.0 -69.3 -33.2 16.7 19.0 26.5 232 276 A K G < S+ 0 0 81 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.2 0.592 95.7 93.4 -71.2 -13.7 18.2 16.0 28.3 233 277 A V S < S- 0 0 9 -3,-0.6 -3,-0.0 -4,-0.2 -32,-0.0 -0.641 76.7-115.4 -97.3 141.3 14.8 15.2 29.9 234 278 A S > - 0 0 22 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.232 20.2-122.9 -66.5 156.5 12.1 12.9 28.8 235 279 A E H > S+ 0 0 150 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.816 110.4 58.8 -68.1 -33.5 8.6 14.2 27.8 236 280 A S H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.882 103.4 51.0 -66.2 -39.9 7.0 12.0 30.4 237 281 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 112.3 46.6 -63.6 -42.0 8.9 13.6 33.3 238 282 A K H X S+ 0 0 39 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.823 110.7 53.8 -70.3 -32.5 7.9 17.0 32.2 239 283 A D H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.893 109.5 47.3 -67.2 -42.0 4.3 15.8 31.8 240 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.958 111.6 50.0 -63.2 -49.4 4.3 14.6 35.4 241 285 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.894 109.1 53.3 -56.8 -41.5 5.8 17.8 36.6 242 286 A R H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 110.0 47.3 -57.7 -45.2 3.1 19.7 34.7 243 287 A K H >< S+ 0 0 60 -4,-2.0 10,-1.6 1,-0.2 3,-0.7 0.846 114.6 45.8 -68.5 -34.0 0.4 17.7 36.4 244 288 A M H 3< S+ 0 0 0 -4,-2.3 -51,-0.2 1,-0.2 -1,-0.2 0.813 113.7 49.5 -77.8 -32.7 1.9 18.2 39.9 245 289 A L T 3< S+ 0 0 3 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 -0.043 78.8 136.8 -97.1 28.9 2.5 21.9 39.3 246 290 A T < - 0 0 35 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.645 52.8-138.7 -76.4 133.3 -1.1 22.4 38.1 247 291 A Y S S+ 0 0 90 -2,-0.4 -70,-0.2 -26,-0.1 -1,-0.1 0.934 84.7 62.7 -65.5 -56.9 -2.4 25.6 39.7 248 292 A V S >> S- 0 0 78 1,-0.2 3,-1.8 2,-0.0 4,-0.9 -0.633 78.6-145.0 -74.3 118.1 -6.0 24.7 40.7 249 293 A P T 34 S+ 0 0 27 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.816 96.3 59.5 -60.3 -34.3 -5.6 21.9 43.2 250 294 A S T 34 S+ 0 0 97 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.732 110.3 44.2 -64.3 -22.9 -8.8 20.0 42.1 251 295 A M T <4 S+ 0 0 142 -3,-1.8 -1,-0.2 2,-0.1 2,-0.2 0.568 95.9 101.7 -93.0 -16.1 -7.2 19.7 38.7 252 296 A R S < S- 0 0 5 -4,-0.9 -8,-0.2 -3,-0.5 -9,-0.1 -0.467 83.3-102.6 -71.5 142.2 -3.8 18.8 40.2 253 297 A I - 0 0 28 -10,-1.6 -1,-0.1 -13,-0.2 2,-0.1 -0.304 35.4-122.2 -62.1 140.5 -2.7 15.1 40.1 254 298 A S > - 0 0 33 1,-0.1 4,-1.9 -4,-0.1 5,-0.1 -0.392 21.1-112.7 -75.5 164.8 -3.1 13.2 43.4 255 299 A A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -136,-0.2 0.914 117.9 49.0 -63.3 -43.5 -0.1 11.5 45.1 256 300 A R H > S+ 0 0 123 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.907 111.4 47.8 -66.1 -44.3 -1.6 8.1 44.4 257 301 A D H >4 S+ 0 0 98 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.855 106.3 59.6 -64.8 -34.2 -2.3 8.8 40.8 258 302 A A H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 6,-0.3 0.854 96.6 60.4 -62.1 -36.4 1.2 10.2 40.4 259 303 A L H 3< S+ 0 0 28 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.7 50.6 -61.7 -26.9 2.6 6.8 41.4 260 304 A D T << S+ 0 0 94 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.353 85.3 126.7 -90.9 5.0 0.8 5.3 38.4 261 305 A H S X> S- 0 0 16 -3,-1.7 4,-2.8 1,-0.1 3,-0.5 -0.364 71.5-119.5 -68.9 142.1 2.3 7.9 36.0 262 306 A E H 3> S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.829 113.1 53.5 -45.4 -44.9 4.1 6.7 32.9 263 307 A W H 3> S+ 0 0 0 -27,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.909 112.4 42.6 -60.0 -47.1 7.4 8.4 34.1 264 308 A I H <> S+ 0 0 1 -3,-0.5 4,-1.4 -6,-0.3 -2,-0.2 0.943 116.9 47.5 -65.2 -48.0 7.3 6.6 37.5 265 309 A Q H < S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.867 117.4 43.0 -62.0 -39.9 6.3 3.3 36.0 266 310 A T H >< S+ 0 0 62 -4,-2.6 3,-0.6 -5,-0.3 -2,-0.2 0.925 118.5 38.8 -73.4 -48.0 8.9 3.5 33.3 267 311 A Y H 3< S+ 0 0 45 -4,-2.4 -158,-0.2 1,-0.2 -2,-0.2 0.516 108.1 59.9 -92.6 -5.3 12.0 4.7 35.2 268 312 A T T 3< 0 0 16 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 0.356 360.0 360.0-101.8 5.1 11.6 2.8 38.5 269 313 A K < 0 0 186 -3,-0.6 -160,-0.0 -4,-0.2 -4,-0.0 -0.690 360.0 360.0 -77.9 360.0 11.8 -0.7 36.9 270 ! 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 0.0 271 319 A D 0 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.5 19.2 3.3 28.8 272 320 A V - 0 0 46 -169,-0.0 2,-0.1 0, 0.0 -169,-0.0 -0.930 360.0-130.7-127.5 138.6 19.6 6.7 30.3 273 321 A P - 0 0 84 0, 0.0 -169,-0.4 0, 0.0 2,-0.4 -0.353 34.3 -97.1 -79.9 165.7 22.3 9.4 30.4 274 322 A S - 0 0 34 -171,-0.1 2,-1.6 -2,-0.1 -171,-0.2 -0.674 25.0-132.2 -82.5 134.6 23.7 11.2 33.4 275 323 A L > + 0 0 3 -173,-4.0 4,-1.9 -2,-0.4 5,-0.1 -0.610 40.6 162.7 -85.2 78.8 22.2 14.6 34.1 276 324 A D H > S+ 0 0 84 -2,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.854 70.7 52.1 -71.0 -38.9 25.6 16.3 34.7 277 325 A N H > S+ 0 0 60 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 110.3 50.8 -63.6 -39.1 24.4 19.9 34.3 278 326 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.926 107.9 51.3 -63.6 -47.9 21.7 19.2 36.9 279 327 A I H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.878 111.6 48.2 -57.6 -41.7 24.2 17.7 39.4 280 328 A L H X S+ 0 0 109 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.895 112.5 47.8 -66.5 -42.5 26.4 20.8 39.0 281 329 A N H X S+ 0 0 34 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.874 111.2 51.1 -66.5 -39.1 23.4 23.2 39.4 282 330 A I H X S+ 0 0 0 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.906 107.1 53.9 -64.1 -45.8 22.2 21.2 42.5 283 331 A R H X S+ 0 0 108 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.935 113.3 42.9 -50.5 -51.8 25.7 21.5 44.1 284 332 A Q H X S+ 0 0 115 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.886 114.6 50.0 -64.2 -43.5 25.5 25.2 43.6 285 333 A F H X S+ 0 0 21 -4,-2.7 4,-2.5 -83,-0.2 -2,-0.2 0.972 114.4 44.1 -57.7 -54.8 21.9 25.4 44.8 286 334 A Q H X S+ 0 0 13 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.901 113.0 50.5 -59.2 -48.4 22.7 23.4 48.0 287 335 A G H X S+ 0 0 13 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.900 112.5 47.5 -57.0 -45.8 25.9 25.2 48.8 288 336 A T H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 113.2 47.5 -60.6 -47.7 24.2 28.6 48.5 289 337 A Q H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.924 114.1 47.1 -61.6 -45.4 21.3 27.5 50.6 290 338 A K H X S+ 0 0 53 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.833 111.8 49.8 -69.4 -35.5 23.5 26.0 53.3 291 339 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.924 110.8 49.5 -68.7 -45.1 25.8 29.1 53.4 292 340 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 113.4 47.6 -56.0 -47.5 22.8 31.5 53.8 293 341 A Q H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.929 112.3 48.4 -57.0 -51.9 21.5 29.3 56.6 294 342 A A H X S+ 0 0 14 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.854 108.7 55.4 -60.3 -37.3 24.9 29.1 58.3 295 343 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.928 110.9 43.2 -60.6 -47.9 25.2 32.9 58.0 296 344 A L H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.909 114.1 50.5 -66.8 -41.4 21.9 33.5 59.8 297 345 A L H X S+ 0 0 75 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.873 109.1 52.3 -64.7 -38.7 22.6 30.9 62.5 298 346 A Y H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.928 111.5 45.4 -60.8 -48.1 26.0 32.5 63.1 299 347 A M H X S+ 0 0 17 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 115.2 48.5 -62.9 -42.1 24.5 35.9 63.5 300 348 A G H X S+ 0 0 12 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.912 110.6 49.6 -64.0 -45.6 21.8 34.4 65.8 301 349 A S H X S+ 0 0 37 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.872 110.0 52.4 -61.9 -37.8 24.3 32.5 67.9 302 350 A K H X S+ 0 0 50 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.916 111.1 45.8 -64.9 -43.5 26.3 35.7 68.3 303 351 A L H X S+ 0 0 88 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 112.6 50.9 -63.8 -45.4 23.2 37.6 69.5 304 352 A T H X S+ 0 0 64 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.887 108.6 53.0 -56.7 -43.2 22.3 34.7 71.8 305 353 A S H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.883 107.5 50.4 -59.2 -42.5 25.9 34.8 73.2 306 354 A Q H X S+ 0 0 49 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.931 114.4 45.2 -62.1 -46.9 25.6 38.5 73.9 307 355 A D H X S+ 0 0 112 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.969 117.6 42.3 -56.9 -57.3 22.3 37.9 75.8 308 356 A E H X S+ 0 0 40 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.803 108.8 57.8 -68.3 -34.1 23.5 34.9 77.7 309 357 A T H X S+ 0 0 42 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.925 112.5 40.4 -60.9 -47.1 27.0 36.3 78.6 310 358 A K H X S+ 0 0 144 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.829 116.0 51.1 -73.7 -32.8 25.4 39.3 80.4 311 359 A E H X S+ 0 0 89 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.938 111.5 46.7 -69.0 -46.2 22.6 37.2 82.0 312 360 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.908 111.5 51.6 -62.1 -46.3 25.1 34.6 83.4 313 361 A T H X S+ 0 0 58 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.885 111.6 47.6 -55.3 -43.5 27.4 37.4 84.7 314 362 A A H X S+ 0 0 56 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.865 110.0 52.7 -69.4 -36.6 24.4 39.0 86.4 315 363 A I H X S+ 0 0 17 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.925 112.3 44.4 -64.5 -44.5 23.2 35.7 87.9 316 364 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.821 109.2 56.4 -71.2 -34.6 26.6 35.0 89.4 317 365 A H H < S+ 0 0 126 -4,-1.8 6,-0.2 2,-0.2 -1,-0.2 0.917 109.3 46.4 -60.2 -46.4 27.1 38.5 90.8 318 366 A K H < S+ 0 0 172 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 113.9 49.0 -60.1 -44.5 23.8 38.2 92.7 319 367 A M H < S+ 0 0 37 -4,-1.8 2,-2.0 -5,-0.2 -2,-0.2 0.845 91.0 83.9 -62.9 -38.4 24.9 34.8 94.0 320 368 A D >< + 0 0 12 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 -0.482 62.4 179.3 -72.9 82.6 28.3 36.2 95.0 321 369 A K T 3 S+ 0 0 184 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.0 0.889 78.0 36.5 -57.9 -50.4 27.1 37.4 98.4 322 370 A N T 3 S- 0 0 134 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.332 105.8-129.8 -91.9 8.8 30.4 38.9 99.7 323 371 A G < + 0 0 55 -3,-1.2 -2,-0.1 -6,-0.2 -3,-0.1 0.700 67.1 127.7 60.7 30.7 31.3 40.0 96.2 324 372 A D S S- 0 0 91 2,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.361 76.4-115.3 -97.4 5.2 34.9 38.6 95.8 325 373 A G S S+ 0 0 8 1,-0.2 47,-1.4 -9,-0.1 2,-0.5 0.622 74.0 126.5 74.0 18.1 34.1 36.9 92.5 326 374 A Q E +I 371 0D 60 45,-0.2 2,-0.3 46,-0.1 45,-0.2 -0.917 28.1 166.4-111.7 124.0 34.6 33.3 93.8 327 375 A L E -I 370 0D 3 43,-3.8 43,-4.2 -2,-0.5 2,-0.1 -0.972 28.8-124.7-132.9 151.9 32.0 30.6 93.4 328 376 A D > - 0 0 40 -2,-0.3 4,-2.3 41,-0.3 3,-0.2 -0.400 34.0-101.9 -87.3 171.1 32.1 26.8 93.8 329 377 A R H > S+ 0 0 67 39,-0.5 4,-2.2 37,-0.4 5,-0.2 0.865 121.3 54.3 -61.7 -40.9 31.0 24.3 91.2 330 378 A A H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 111.4 46.6 -61.1 -37.1 27.6 23.6 92.8 331 379 A E H > S+ 0 0 64 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.881 109.5 53.0 -71.7 -40.8 26.9 27.3 92.7 332 380 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.868 111.4 48.1 -61.2 -37.4 28.1 27.5 89.1 333 381 A I H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.908 110.2 50.3 -68.0 -45.6 25.7 24.7 88.3 334 382 A E H X S+ 0 0 89 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.847 114.2 45.6 -61.9 -37.3 22.8 26.4 90.1 335 383 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.840 111.5 50.2 -75.3 -37.9 23.5 29.6 88.2 336 384 A Y H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.875 112.7 48.7 -65.1 -38.5 23.8 27.8 84.9 337 385 A K H X S+ 0 0 48 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.898 107.7 55.1 -62.4 -43.4 20.5 26.2 85.8 338 386 A E H X S+ 0 0 69 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.872 108.1 48.5 -56.8 -41.7 19.2 29.6 86.6 339 387 A L H < S+ 0 0 14 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.895 113.3 46.4 -65.4 -43.2 20.1 30.8 83.1 340 388 A M H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.807 111.6 53.0 -67.7 -31.3 18.4 27.7 81.6 341 389 A R H < 0 0 132 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.848 360.0 360.0 -68.5 -38.3 15.4 28.4 83.9 342 390 A M < 0 0 136 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.544 360.0 360.0 69.1 360.0 15.3 31.9 82.6 343 ! 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 0.0 344 396 A S 0 0 86 0, 0.0 2,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -59.1 20.1 20.5 75.0 345 397 A M + 0 0 47 1,-0.2 6,-0.1 6,-0.0 4,-0.0 -0.602 360.0 162.6 -93.7 72.4 20.4 21.0 78.8 346 398 A L - 0 0 34 -2,-1.3 2,-0.2 -343,-0.0 -1,-0.2 0.726 59.1 -4.6 -70.6 -26.1 17.3 18.8 79.4 347 399 A D S > S- 0 0 49 -3,-0.2 4,-1.1 -343,-0.1 3,-0.2 -0.848 85.2 -76.5-153.3-172.1 18.0 18.3 83.1 348 400 A A H > S+ 0 0 36 -2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.861 121.0 54.7 -64.7 -40.8 20.4 18.8 86.1 349 401 A S H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.811 105.0 54.6 -66.4 -32.8 22.9 16.1 85.0 350 402 A A H > S+ 0 0 26 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.832 110.0 46.9 -66.1 -35.6 23.3 17.7 81.6 351 403 A V H X S+ 0 0 4 -4,-1.1 4,-2.6 -3,-0.2 -2,-0.2 0.872 108.9 54.4 -76.2 -38.9 24.2 21.0 83.3 352 404 A E H X S+ 0 0 71 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 111.5 45.3 -56.5 -48.0 26.7 19.3 85.6 353 405 A H H X S+ 0 0 113 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.920 112.2 50.0 -64.0 -47.7 28.5 17.8 82.7 354 406 A E H X S+ 0 0 31 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.916 112.0 48.6 -58.5 -45.9 28.5 21.0 80.7 355 407 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.917 111.2 50.7 -57.5 -45.8 29.9 22.9 83.7 356 408 A D H X S+ 0 0 23 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.842 107.7 53.2 -63.5 -35.8 32.6 20.2 84.2 357 409 A Q H X S+ 0 0 79 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.860 110.5 47.1 -66.8 -38.3 33.6 20.4 80.5 358 410 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.5 0.922 112.4 49.0 -68.4 -45.9 34.1 24.2 80.8 359 411 A L H X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.5 0.901 110.2 51.8 -59.9 -41.2 36.1 23.8 84.0 360 412 A D H <5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.701 108.7 51.8 -72.5 -20.9 38.3 21.1 82.4 361 413 A A H <5S+ 0 0 67 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.910 112.3 43.5 -75.5 -46.8 38.9 23.5 79.5 362 414 A V H <5S- 0 0 40 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.422 107.2-125.8 -81.2 -0.5 40.0 26.4 81.7 363 415 A D T <5 + 0 0 90 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.798 57.5 152.8 57.4 31.8 42.1 24.0 83.8 364 416 A F < - 0 0 50 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.688 54.1-104.1 -87.3 141.5 40.3 25.3 86.9 365 417 A D - 0 0 104 -2,-0.3 3,-0.5 4,-0.2 -1,-0.1 -0.554 22.4-150.1 -71.7 129.0 40.0 22.9 89.8 366 418 A K S S+ 0 0 66 -2,-0.3 -37,-0.4 1,-0.2 -1,-0.2 0.732 91.0 52.5 -62.8 -28.6 36.6 21.4 90.0 367 419 A N S S+ 0 0 152 -39,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.582 102.0 58.7 -98.0 -12.5 36.7 20.9 93.8 368 420 A G S S- 0 0 30 -3,-0.5 -39,-0.5 1,-0.1 2,-0.3 -0.321 98.6 -72.2 -98.8-172.8 37.7 24.4 95.0 369 421 A Y - 0 0 144 -41,-0.2 2,-0.3 -2,-0.1 -41,-0.3 -0.624 53.5-146.4 -83.4 147.5 36.1 27.8 94.6 370 422 A I E -I 327 0D 0 -43,-4.2 -43,-3.8 -2,-0.3 2,-1.0 -0.865 20.3-114.1-125.4 147.1 36.3 29.3 91.2 371 423 A E E >> -I 326 0D 57 -2,-0.3 4,-1.4 -45,-0.2 3,-1.0 -0.683 31.6-162.0 -75.4 103.1 36.6 32.8 89.5 372 424 A Y H 3> S+ 0 0 23 -47,-1.4 4,-2.6 -2,-1.0 5,-0.2 0.803 81.0 65.3 -65.3 -31.7 33.2 32.9 87.9 373 425 A S H 3> S+ 0 0 59 -48,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.830 105.1 46.2 -59.9 -32.6 34.0 35.7 85.4 374 426 A E H <> S+ 0 0 87 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.897 110.4 52.1 -76.2 -42.7 36.5 33.4 83.7 375 427 A F H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.887 107.7 53.0 -57.5 -44.2 34.1 30.4 83.6 376 428 A V H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 5,-0.4 0.943 108.2 50.4 -57.2 -50.3 31.5 32.7 82.0 377 429 A T H X S+ 0 0 74 -4,-1.4 4,-3.2 1,-0.2 5,-0.2 0.942 115.5 41.1 -55.8 -53.1 33.9 33.7 79.2 378 430 A V H X S+ 0 0 33 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.902 111.8 55.9 -63.0 -44.2 34.9 30.1 78.4 379 431 A A H X S+ 0 0 0 -4,-2.8 4,-0.6 -5,-0.2 -1,-0.2 0.848 120.0 31.2 -57.8 -41.0 31.3 28.7 78.7 380 432 A M H >X S+ 0 0 4 -4,-2.1 4,-1.5 -5,-0.2 3,-0.8 0.878 113.5 60.9 -79.8 -46.1 30.1 31.2 76.1 381 433 A D H 3X S+ 0 0 88 -4,-3.2 4,-2.5 -5,-0.4 5,-0.3 0.779 97.9 63.4 -53.6 -31.4 33.3 31.4 74.1 382 434 A R H 3X S+ 0 0 76 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.937 104.4 42.2 -62.4 -48.4 32.8 27.7 73.5 383 435 A K H < + 0 0 12 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 -0.529 64.0 165.6 -81.4 72.2 33.9 28.0 47.6 400 452 A S T 3 S+ 0 0 98 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.731 71.1 54.0 -68.2 -27.3 34.2 24.9 45.3 401 453 A D T 3 S- 0 0 139 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.382 106.2-126.8 -81.7 -0.9 37.2 26.3 43.3 402 454 A N < + 0 0 135 -3,-1.7 -2,-0.1 -6,-0.3 -6,-0.0 0.858 62.4 144.3 52.8 36.9 39.1 26.9 46.6 403 455 A S - 0 0 72 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.753 58.6-133.0 -70.5 -25.3 39.7 30.5 45.5 404 456 A G S S+ 0 0 22 1,-0.3 38,-0.5 -5,-0.2 2,-0.3 0.460 74.4 88.1 83.0 2.9 39.4 31.5 49.1 405 457 A K - 0 0 74 36,-0.2 2,-0.4 37,-0.1 -1,-0.3 -0.891 63.6-146.3-131.9 156.7 37.0 34.3 48.1 406 458 A I E -J 440 0E 0 34,-2.3 34,-2.3 -2,-0.3 -7,-0.0 -0.998 29.0-128.0-120.7 131.1 33.3 35.0 47.4 407 459 A S E > -J 439 0E 37 -2,-0.4 4,-2.7 32,-0.2 32,-0.3 -0.308 19.9-114.3 -76.8 159.1 32.4 37.5 44.7 408 460 A S H > S+ 0 0 43 30,-2.3 4,-2.1 1,-0.2 31,-0.1 0.865 120.3 54.1 -58.3 -37.4 30.1 40.5 45.1 409 461 A T H > S+ 0 0 102 29,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.896 109.5 47.4 -61.7 -42.2 27.7 38.7 42.7 410 462 A E H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.895 108.6 54.2 -66.1 -42.4 27.8 35.6 44.9 411 463 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.904 104.8 55.1 -57.5 -42.5 27.2 37.7 48.0 412 464 A A H X S+ 0 0 41 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.911 110.2 45.9 -56.1 -44.5 24.1 39.2 46.3 413 465 A T H X S+ 0 0 73 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.905 115.8 45.8 -64.9 -44.5 22.8 35.6 45.8 414 466 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.949 115.4 44.1 -65.9 -51.2 23.6 34.6 49.4 415 467 A F H <>S+ 0 0 1 -4,-3.3 5,-2.9 1,-0.2 -1,-0.2 0.777 110.6 58.0 -68.0 -26.6 22.2 37.7 51.1 416 468 A G H ><5S+ 0 0 8 -4,-1.6 3,-1.1 -5,-0.3 -205,-0.5 0.942 108.9 42.8 -64.4 -50.0 19.1 37.5 48.8 417 469 A V H 3<5S+ 0 0 23 -4,-1.9 -248,-0.3 1,-0.3 -2,-0.2 0.847 114.8 50.9 -64.5 -35.9 18.3 33.9 50.1 418 470 A S T 3<5S- 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.423 111.1-129.4 -79.8 -3.4 19.1 35.1 53.6 419 471 A D T < 5 + 0 0 67 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.792 50.7 157.5 55.7 34.1 16.7 38.0 52.9 420 472 A V < - 0 0 27 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.808 54.3 -96.5 -85.6 128.1 19.2 40.6 54.1 421 473 A D > - 0 0 89 -2,-0.5 4,-2.3 1,-0.1 3,-0.4 -0.134 26.0-134.1 -53.7 132.0 18.4 44.0 52.6 422 474 A S H > S+ 0 0 64 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.859 105.3 47.7 -57.1 -44.7 20.4 44.7 49.4 423 475 A E H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.844 111.5 53.5 -61.8 -37.3 21.3 48.3 50.4 424 476 A T H > S+ 0 0 65 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.932 110.7 41.3 -70.3 -48.8 22.3 47.1 53.9 425 477 A W H X S+ 0 0 3 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.897 114.1 53.6 -70.2 -37.0 24.8 44.4 52.9 426 478 A K H X S+ 0 0 103 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.921 109.1 50.8 -58.1 -43.4 26.2 46.6 50.2 427 479 A S H X S+ 0 0 73 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.926 113.9 42.3 -59.6 -48.4 26.7 49.2 52.9 428 480 A V H X S+ 0 0 11 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.875 111.8 56.0 -67.2 -37.6 28.5 46.8 55.2 429 481 A L H X S+ 0 0 18 -4,-3.2 4,-3.3 1,-0.2 -2,-0.2 0.876 105.6 52.4 -58.3 -41.2 30.4 45.4 52.2 430 482 A S H < S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.810 107.0 52.3 -65.6 -32.7 31.7 49.0 51.5 431 483 A E H < S+ 0 0 99 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.771 121.9 30.9 -74.0 -27.9 32.9 49.3 55.1 432 484 A V H < S+ 0 0 23 -4,-1.3 2,-1.1 1,-0.2 -2,-0.2 0.879 114.3 58.1 -95.9 -53.5 34.9 46.1 54.9 433 485 A D < + 0 0 13 -4,-3.3 3,-0.3 -5,-0.2 -1,-0.2 -0.714 61.5 160.3 -80.8 99.2 35.9 46.0 51.2 434 486 A K + 0 0 152 -2,-1.1 -1,-0.2 1,-0.2 -4,-0.1 0.293 63.3 59.0-111.4 8.5 37.8 49.3 50.8 435 487 A N S S- 0 0 130 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.181 107.8-112.9-117.1 16.3 39.8 48.6 47.7 436 488 A N + 0 0 152 -3,-0.3 -2,-0.1 -6,-0.1 -6,-0.0 0.897 65.7 150.5 52.6 42.2 36.9 48.0 45.4 437 489 A D - 0 0 95 2,-0.2 3,-0.1 1,-0.0 -29,-0.1 0.833 46.6-143.0 -71.2 -33.2 38.0 44.4 45.1 438 490 A G S S+ 0 0 25 1,-0.2 -30,-2.3 -9,-0.1 -29,-0.3 0.776 70.5 72.7 72.6 29.2 34.4 43.2 44.6 439 491 A E E -J 407 0E 74 -32,-0.3 2,-0.4 -31,-0.1 -32,-0.2 -0.974 63.4-147.1-165.9 156.7 35.1 40.1 46.7 440 492 A V E -J 406 0E 0 -34,-2.3 -34,-2.3 -2,-0.3 2,-0.1 -0.989 8.3-141.2-135.8 141.4 35.7 38.9 50.2 441 493 A D > - 0 0 51 -2,-0.4 4,-2.4 -36,-0.2 -36,-0.2 -0.227 46.1 -88.4 -82.6-175.7 37.7 36.2 52.0 442 494 A F H > S+ 0 0 18 -38,-0.5 4,-2.9 2,-0.2 5,-0.2 0.922 126.5 50.6 -65.0 -47.8 36.3 34.3 55.0 443 495 A D H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 113.4 47.4 -53.7 -47.1 37.5 36.7 57.7 444 496 A E H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 110.8 50.6 -62.7 -45.5 35.9 39.6 55.7 445 497 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.926 111.1 49.2 -58.3 -48.3 32.7 37.7 55.2 446 498 A Q H X S+ 0 0 28 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.918 108.5 53.5 -56.8 -47.1 32.6 37.0 59.0 447 499 A Q H X S+ 0 0 73 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.875 106.8 52.8 -55.4 -41.0 33.2 40.7 59.7 448 500 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.945 108.8 49.2 -60.2 -47.6 30.2 41.6 57.5 449 501 A L H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.892 109.1 52.0 -61.7 -40.8 27.9 39.2 59.4 450 502 A L H ><>S+ 0 0 44 -4,-2.3 5,-2.6 1,-0.2 3,-0.9 0.910 111.5 47.0 -61.4 -41.5 29.1 40.6 62.8 451 503 A K H ><5S+ 0 0 66 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.743 107.1 58.4 -71.6 -23.7 28.3 44.1 61.5 452 504 A L T 3<5S+ 0 0 37 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.507 106.3 49.3 -84.0 -6.3 24.9 42.8 60.2 453 505 A C T < 5S- 0 0 13 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 -0.150 131.6 -84.8-124.2 40.6 24.0 41.7 63.8 454 506 A G T < 5 0 0 67 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.643 360.0 360.0 75.3 18.3 24.9 45.0 65.5 455 507 A N < 0 0 90 -5,-2.6 -3,-0.2 -6,-0.2 -1,-0.1 -0.667 360.0 360.0-120.4 360.0 28.6 44.4 66.0