==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-NOV-11 3UPZ . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.A.MERRITT,E.T.LARSON . 458 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 71.4 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 . 50 10.9 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 . 23 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 43.0 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 2 3 1 0 0 0 4 1 0 1 1 2 0 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 . 1 1 3 0 1 1 1 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 44 A T 0 0 195 0, 0.0 2,-0.4 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 35.7 2.2 12.7 84.8 2 45 A A - 0 0 72 74,-0.0 74,-0.4 2,-0.0 2,-0.3 -0.810 360.0-137.3 -95.7 134.7 5.3 11.0 83.3 3 46 A I > - 0 0 83 -2,-0.4 4,-0.5 1,-0.1 3,-0.4 -0.728 4.7-141.2 -98.6 140.5 8.5 13.1 83.1 4 47 A F H >> S+ 0 0 5 -2,-0.3 4,-2.6 1,-0.2 3,-1.2 0.906 101.3 48.9 -64.4 -45.0 10.8 13.1 80.1 5 48 A S H 34 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.2 346,-0.1 0.636 99.4 66.8 -77.6 -14.7 14.1 13.3 82.1 6 49 A D H 34 S+ 0 0 121 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.733 117.7 25.9 -66.8 -24.1 13.0 10.4 84.3 7 50 A R H << S+ 0 0 96 -3,-1.2 21,-3.1 -4,-0.5 2,-0.4 0.788 120.6 44.2-109.0 -42.3 13.2 8.2 81.2 8 51 A Y E < -A 27 0A 6 -4,-2.6 2,-0.4 19,-0.2 19,-0.2 -0.884 54.7-161.1-118.5 141.3 15.7 9.7 78.7 9 52 A K E -A 26 0A 80 17,-2.3 17,-2.3 -2,-0.4 2,-0.4 -0.930 28.6-115.0-113.4 144.5 19.2 11.3 79.0 10 53 A G E +A 25 0A 36 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.636 29.1 177.5 -78.5 131.1 20.7 13.6 76.3 11 54 A Q E - 0 0 84 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.846 62.7 -35.8 -94.7 -51.9 23.8 12.2 74.6 12 55 A R E -A 24 0A 145 12,-1.3 12,-2.6 0, 0.0 -1,-0.4 -0.971 66.1 -81.6-165.0 169.3 24.4 15.0 72.1 13 56 A V E -A 23 0A 65 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.668 26.8-171.6 -84.5 134.4 22.8 17.6 69.8 14 57 A L E - 0 0 61 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.663 51.2 -96.8 -97.7 -22.8 21.6 16.3 66.4 15 58 A G E -A 22 0A 28 7,-1.4 7,-3.3 2,-0.0 2,-0.5 -0.828 46.0 -46.8 137.2-171.5 20.8 19.8 65.0 16 59 A K E +A 21 0A 77 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.830 49.5 169.2-104.2 129.5 18.1 22.3 64.4 17 60 A G E > -A 20 0A 24 3,-2.5 3,-0.6 -2,-0.5 2,-0.2 -0.602 48.4 -61.2-118.9-175.0 14.7 21.5 62.9 18 61 A S T 3 S+ 0 0 31 1,-0.2 -1,-0.1 -2,-0.2 150,-0.0 -0.551 121.4 8.7 -68.0 134.8 11.4 23.3 62.5 19 62 A F T 3 S- 0 0 28 -2,-0.2 21,-0.6 148,-0.1 2,-0.3 0.148 130.3 -15.6 81.1 -16.1 9.9 24.3 65.9 20 63 A G E < S-AB 17 39A 18 -3,-0.6 -3,-2.5 19,-0.2 2,-0.2 -0.995 80.9 -55.2 174.8-175.8 13.0 23.3 68.0 21 64 A E E -AB 16 38A 66 17,-0.9 17,-2.7 -2,-0.3 2,-0.5 -0.597 41.4-137.7 -84.4 147.3 16.3 21.6 68.6 22 65 A V E -AB 15 37A 28 -7,-3.3 -8,-2.8 -2,-0.2 -7,-1.4 -0.947 20.1-169.6-110.2 123.1 16.7 17.9 68.0 23 66 A I E -AB 13 36A 2 13,-2.9 13,-3.4 -2,-0.5 2,-0.6 -0.910 24.2-127.4-110.8 136.4 18.7 16.0 70.7 24 67 A L E -AB 12 35A 7 -12,-2.6 -13,-3.0 -2,-0.4 -12,-1.3 -0.767 42.0-177.9 -76.8 118.9 19.9 12.4 70.4 25 68 A C E -AB 10 34A 0 9,-3.4 9,-2.9 -2,-0.6 2,-0.4 -0.785 19.2-146.6-122.0 164.8 18.7 10.8 73.6 26 69 A K E -AB 9 33A 67 -17,-2.3 -17,-2.3 -2,-0.3 2,-0.3 -0.995 23.3-115.2-135.9 134.5 18.9 7.4 75.3 27 70 A D E > -A 8 0A 12 5,-2.5 4,-1.5 -2,-0.4 -19,-0.2 -0.535 23.7-139.4 -68.1 129.8 16.4 5.5 77.5 28 71 A K T 4 S+ 0 0 102 -21,-3.1 -1,-0.1 -2,-0.3 -20,-0.1 0.617 96.3 29.0 -70.3 -14.9 18.0 5.1 80.9 29 72 A I T 4 S+ 0 0 158 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.796 128.9 31.9-107.1 -52.7 16.8 1.5 81.3 30 73 A T T 4 S- 0 0 102 2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.689 91.3-131.4 -85.4 -21.7 16.5 -0.1 77.9 31 74 A G < + 0 0 32 -4,-1.5 2,-0.1 1,-0.3 -3,-0.1 0.454 48.6 158.9 82.5 1.9 19.4 1.8 76.2 32 75 A Q - 0 0 97 -6,-0.1 -5,-2.5 1,-0.1 2,-0.3 -0.372 35.4-136.7 -62.2 128.2 17.2 2.6 73.2 33 76 A E E +B 26 0A 95 -7,-0.2 54,-0.4 -2,-0.1 2,-0.3 -0.711 28.0 177.0 -86.1 139.2 18.5 5.6 71.2 34 77 A C E -B 25 0A 0 -9,-2.9 -9,-3.4 -2,-0.3 2,-0.7 -0.981 33.8-124.5-141.0 150.9 15.9 8.2 70.1 35 78 A A E -BC 24 85A 9 50,-2.9 50,-2.0 -2,-0.3 2,-0.6 -0.882 33.3-162.6 -93.1 112.6 15.8 11.6 68.2 36 79 A V E -BC 23 84A 0 -13,-3.4 -13,-2.9 -2,-0.7 2,-0.6 -0.881 8.5-156.6-104.7 115.9 14.0 14.0 70.6 37 80 A K E -BC 22 83A 13 46,-2.4 46,-3.1 -2,-0.6 2,-0.6 -0.808 11.1-156.7 -87.5 124.1 12.6 17.2 69.2 38 81 A V E -BC 21 82A 8 -17,-2.7 -17,-0.9 -2,-0.6 2,-0.5 -0.899 5.7-164.5-108.4 110.7 12.2 19.8 72.0 39 82 A I E -BC 20 81A 1 42,-2.5 42,-2.2 -2,-0.6 2,-0.5 -0.859 12.9-139.9-102.1 121.7 9.7 22.5 71.3 40 83 A S E > - C 0 80A 16 -21,-0.6 4,-2.5 -2,-0.5 3,-0.2 -0.678 0.6-151.6 -84.4 123.5 9.8 25.6 73.5 41 84 A K T 4 S+ 0 0 55 38,-2.8 -1,-0.1 -2,-0.5 39,-0.1 0.825 97.6 52.9 -62.6 -33.5 6.4 27.0 74.6 42 85 A R T 4 S+ 0 0 139 37,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.845 116.5 37.7 -69.1 -35.8 7.8 30.5 74.8 43 86 A Q T 4 S+ 0 0 103 -3,-0.2 2,-0.5 1,-0.2 -2,-0.2 0.781 120.3 45.0 -85.8 -31.5 9.3 30.4 71.3 44 87 A V S < S- 0 0 16 -4,-2.5 2,-0.2 -25,-0.1 -1,-0.2 -0.969 71.0-150.2-126.0 124.0 6.5 28.5 69.6 45 88 A K - 0 0 115 -2,-0.5 115,-2.8 115,-0.3 2,-0.3 -0.562 20.1-119.0 -88.1 152.5 2.7 29.1 69.9 46 89 A Q B -E 159 0B 71 113,-0.2 113,-0.3 -2,-0.2 112,-0.1 -0.681 13.9-163.7 -88.2 145.7 0.1 26.4 69.6 47 90 A K S S+ 0 0 88 111,-3.0 2,-0.2 -2,-0.3 112,-0.2 0.648 74.5 41.4 -98.5 -23.3 -2.6 26.7 66.9 48 91 A T S S- 0 0 41 110,-0.8 2,-0.1 1,-0.1 -2,-0.0 -0.693 89.3 -95.0-119.5 171.9 -5.0 24.1 68.4 49 92 A D > - 0 0 101 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.278 42.2 -96.3 -81.9 172.0 -6.3 23.2 71.9 50 93 A K H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.878 121.5 52.6 -53.2 -45.2 -4.9 20.6 74.3 51 94 A E H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 108.2 49.1 -64.2 -43.9 -7.4 17.9 73.3 52 95 A S H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.862 111.3 50.3 -65.1 -38.7 -6.7 18.2 69.5 53 96 A L H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.906 110.6 48.4 -64.2 -45.4 -3.0 17.9 70.0 54 97 A L H X S+ 0 0 86 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.898 111.6 49.2 -65.4 -42.5 -3.2 14.8 72.2 55 98 A R H X S+ 0 0 209 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.866 112.1 48.5 -65.0 -38.4 -5.5 13.0 69.8 56 99 A E H X S+ 0 0 46 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.921 112.3 48.3 -67.2 -45.8 -3.3 13.8 66.8 57 100 A V H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.939 109.7 53.5 -56.2 -48.6 -0.2 12.6 68.7 58 101 A Q H X S+ 0 0 103 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.861 112.1 44.6 -55.6 -40.4 -2.1 9.4 69.7 59 102 A L H >X S+ 0 0 54 -4,-1.8 3,-1.3 2,-0.2 4,-1.0 0.948 111.1 53.1 -67.9 -49.0 -2.9 8.8 66.0 60 103 A L H 3< S+ 0 0 23 -4,-2.9 11,-0.5 1,-0.3 3,-0.3 0.813 102.1 58.7 -59.3 -35.5 0.7 9.5 64.8 61 104 A K H 3< S+ 0 0 67 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.775 108.2 47.2 -63.8 -26.7 2.2 7.0 67.3 62 105 A Q H << S+ 0 0 130 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.677 90.7 98.0 -88.2 -21.4 0.1 4.2 65.7 63 106 A L < - 0 0 17 -4,-1.0 2,-0.3 -3,-0.3 8,-0.3 -0.403 51.7-174.6 -71.8 144.7 0.9 5.1 62.1 64 107 A D + 0 0 104 -2,-0.1 5,-0.1 6,-0.1 6,-0.1 -0.953 17.0 144.0-146.9 122.9 3.6 3.1 60.4 65 108 A H > - 0 0 27 3,-0.4 3,-1.6 -2,-0.3 53,-0.0 -0.966 48.6-125.0-154.8 143.0 5.2 3.5 56.9 66 109 A P T 3 S+ 0 0 61 0, 0.0 4,-0.1 0, 0.0 81,-0.1 0.731 111.2 47.6 -65.3 -21.0 8.8 3.0 55.7 67 110 A N T 3 S+ 0 0 10 82,-0.1 83,-2.0 47,-0.1 2,-0.4 0.150 101.4 78.6-103.0 17.2 9.1 6.5 54.2 68 111 A I B < S-f 150 0C 13 -3,-1.6 -3,-0.4 81,-0.2 83,-0.2 -0.991 88.3-106.5-129.4 131.3 7.6 8.3 57.3 69 112 A M - 0 0 51 81,-2.6 2,-0.5 -2,-0.4 -2,-0.1 -0.286 36.6-124.4 -55.9 134.9 9.5 9.1 60.6 70 113 A K - 0 0 36 -4,-0.1 16,-2.4 -6,-0.1 2,-0.4 -0.745 20.7-154.6 -87.2 125.9 8.4 6.8 63.4 71 114 A L E +D 85 0A 24 -2,-0.5 14,-0.3 -11,-0.5 3,-0.1 -0.869 17.7 172.3-100.7 134.2 7.1 8.6 66.5 72 115 A Y E + 0 0 62 12,-3.3 2,-0.3 -2,-0.4 13,-0.2 0.827 56.4 5.5-106.7 -49.9 7.3 6.7 69.9 73 116 A E E -D 84 0A 56 11,-1.7 11,-2.7 2,-0.0 2,-0.4 -0.959 48.9-152.6-143.7 156.7 6.4 9.0 72.8 74 117 A F E +D 83 0A 31 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 17.0 178.0-133.4 133.2 5.1 12.5 73.6 75 118 A F E -D 82 0A 18 7,-1.6 7,-1.9 -2,-0.4 2,-0.3 -0.865 6.0-169.4-129.0 165.1 5.8 14.5 76.8 76 119 A E E +D 81 0A 65 -74,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.965 9.5 165.3-156.2 136.3 4.8 17.9 78.1 77 120 A D - 0 0 62 3,-2.2 3,-0.1 -2,-0.3 -74,-0.0 -0.695 58.4 -68.1-136.0-167.2 5.9 20.1 81.0 78 121 A K S S+ 0 0 201 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 0.783 128.6 15.4 -58.8 -29.8 5.5 23.8 82.0 79 122 A G S S+ 0 0 21 1,-0.1 -38,-2.8 -38,-0.1 -37,-0.5 0.501 118.9 44.4-124.2 -7.3 7.8 25.0 79.2 80 123 A Y E -C 40 0A 50 -40,-0.2 -3,-2.2 -39,-0.1 2,-0.4 -0.955 50.3-145.2-144.2 155.5 8.3 22.3 76.6 81 124 A F E -CD 39 76A 1 -42,-2.2 -42,-2.5 -2,-0.3 2,-0.5 -0.941 21.7-154.4-110.1 144.4 6.9 19.6 74.3 82 125 A Y E -CD 38 75A 16 -7,-1.9 -7,-1.6 -2,-0.4 2,-0.8 -0.952 4.8-165.4-123.7 110.8 9.1 16.6 73.7 83 126 A L E -CD 37 74A 15 -46,-3.1 -46,-2.4 -2,-0.5 2,-0.6 -0.846 12.8-162.2 -96.9 105.9 8.5 14.6 70.5 84 127 A V E +CD 36 73A 0 -11,-2.7 -12,-3.3 -2,-0.8 -11,-1.7 -0.792 25.3 142.4 -97.2 118.4 10.3 11.3 70.9 85 128 A G E -CD 35 71A 0 -50,-2.0 -50,-2.9 -2,-0.6 -14,-0.2 -0.828 49.2 -57.3-144.6-176.9 11.0 9.3 67.7 86 129 A E - 0 0 50 -16,-2.4 2,-0.3 -2,-0.2 -52,-0.2 -0.353 49.3-121.5 -70.2 140.1 13.4 7.1 65.7 87 130 A V - 0 0 26 -54,-0.4 2,-0.4 -2,-0.1 -1,-0.1 -0.644 23.5-165.3 -80.0 136.2 17.0 8.2 65.0 88 131 A Y - 0 0 22 -2,-0.3 53,-0.2 1,-0.1 52,-0.2 -0.975 9.3-176.4-122.3 140.5 18.1 8.5 61.3 89 132 A T + 0 0 71 51,-1.6 52,-0.2 -2,-0.4 51,-0.2 0.358 60.6 88.2-120.7 0.7 21.8 8.8 60.5 90 133 A G S S- 0 0 17 49,-1.9 50,-0.2 1,-0.2 -1,-0.1 0.686 81.4-141.8 -76.8 -19.1 22.0 9.1 56.6 91 134 A G E -G 139 0C 35 48,-0.5 48,-2.7 49,-0.1 -1,-0.2 -0.223 45.3 -20.1 82.3-176.5 21.6 12.9 56.7 92 135 A E E >> -G 138 0C 42 46,-0.2 4,-1.4 1,-0.1 3,-0.6 -0.350 58.7-126.1 -68.3 141.3 19.7 15.2 54.3 93 136 A L H >> S+ 0 0 2 44,-2.5 4,-1.9 41,-0.5 3,-0.8 0.924 108.1 52.0 -49.5 -53.5 18.8 13.8 50.9 94 137 A F H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.759 105.0 55.6 -62.5 -30.2 20.4 16.7 48.9 95 138 A D H <4 S+ 0 0 47 -3,-0.6 4,-0.4 2,-0.2 -1,-0.3 0.822 109.2 47.9 -69.8 -32.4 23.7 16.4 50.8 96 139 A E H X< S+ 0 0 57 -4,-1.4 3,-0.7 -3,-0.8 -2,-0.2 0.872 110.2 52.8 -70.5 -38.4 23.9 12.7 49.7 97 140 A I H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.843 103.2 55.2 -70.4 -36.2 23.0 13.6 46.1 98 141 A I T 3< S+ 0 0 37 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.634 100.3 63.3 -71.8 -13.4 25.8 16.2 45.8 99 142 A S T < S+ 0 0 80 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.197 87.9 95.5 -93.2 14.1 28.3 13.6 46.8 100 143 A R < - 0 0 66 -3,-1.3 3,-0.1 1,-0.1 -3,-0.0 -0.785 66.4-146.5-107.3 150.0 27.6 11.4 43.7 101 144 A K S S+ 0 0 88 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.876 87.9 25.1 -75.2 -40.5 29.5 11.3 40.4 102 145 A R + 0 0 180 172,-0.1 2,-0.3 177,-0.0 -1,-0.2 -0.907 57.0 177.2-129.7 154.7 26.2 10.5 38.5 103 146 A F + 0 0 0 -2,-0.3 172,-3.3 -3,-0.1 2,-0.2 -0.879 13.4 177.2-156.9 118.9 22.5 11.1 38.9 104 147 A S > - 0 0 12 -2,-0.3 4,-2.2 170,-0.2 3,-0.4 -0.633 48.9 -93.2-117.9 176.0 19.8 10.2 36.4 105 148 A E H > S+ 0 0 9 168,-0.5 4,-2.4 1,-0.2 5,-0.1 0.741 123.7 61.4 -58.8 -26.9 16.0 10.3 36.1 106 149 A V H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 106.4 44.3 -66.0 -43.3 16.0 6.7 37.4 107 150 A D H > S+ 0 0 44 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.933 115.6 47.5 -65.5 -46.5 17.6 7.9 40.7 108 151 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.878 110.8 52.3 -61.9 -41.2 15.2 10.9 40.9 109 152 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.875 108.0 50.8 -63.7 -40.1 12.2 8.7 40.1 110 153 A R H X S+ 0 0 113 -4,-1.8 4,-1.2 158,-0.2 -1,-0.2 0.831 112.0 48.2 -67.2 -34.4 13.1 6.3 43.0 111 154 A I H X S+ 0 0 10 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.937 114.2 44.5 -67.8 -49.8 13.4 9.2 45.4 112 155 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.809 108.0 58.1 -69.9 -31.7 10.1 10.7 44.4 113 156 A R H X S+ 0 0 99 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.906 108.4 47.8 -60.3 -41.1 8.4 7.4 44.4 114 157 A Q H X S+ 0 0 34 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.944 114.0 44.9 -65.1 -48.3 9.4 7.1 48.1 115 158 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 115.6 47.5 -61.9 -45.4 8.2 10.6 49.0 116 159 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.882 109.9 54.2 -63.9 -37.8 5.0 10.0 47.1 117 160 A S H X S+ 0 0 38 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.942 111.6 44.1 -60.7 -47.7 4.5 6.7 48.8 118 161 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 114.4 49.0 -63.2 -44.2 4.9 8.2 52.2 119 162 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.926 108.6 53.4 -62.7 -46.1 2.6 11.2 51.4 120 163 A T H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.919 109.2 50.0 -53.2 -47.0 -0.1 8.9 49.9 121 164 A Y H X S+ 0 0 50 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.935 112.4 44.9 -60.4 -48.8 -0.1 6.9 53.2 122 165 A M H <>S+ 0 0 3 -4,-2.1 5,-2.5 1,-0.2 3,-0.3 0.855 110.3 55.6 -67.3 -33.6 -0.4 9.9 55.5 123 166 A H H ><5S+ 0 0 27 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.904 101.2 57.5 -65.3 -40.4 -3.1 11.4 53.2 124 167 A K H 3<5S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.3 47.1 -55.0 -31.2 -5.2 8.2 53.6 125 168 A N T 3<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.269 119.0-112.2 -95.0 10.2 -5.0 9.0 57.3 126 169 A K T < 5S+ 0 0 179 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.765 71.3 138.0 66.0 29.4 -6.0 12.7 56.9 127 170 A I < - 0 0 2 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.2 -0.934 33.5-166.4-106.0 124.9 -2.6 14.0 58.0 128 171 A V - 0 0 30 -2,-0.5 26,-0.6 1,-0.2 29,-0.3 -0.852 13.1-163.9-108.2 144.8 -1.2 17.0 55.9 129 172 A H + 0 0 4 -2,-0.3 2,-0.9 24,-0.2 27,-0.4 0.914 11.8 176.4 -87.5 -59.9 2.4 18.2 56.0 130 173 A R S S+ 0 0 32 56,-0.2 46,-0.3 1,-0.1 -1,-0.1 -0.190 72.5 62.6 80.5 -42.4 2.3 21.7 54.4 131 174 A D + 0 0 31 -2,-0.9 2,-0.2 21,-0.2 -1,-0.1 -0.096 68.1 155.7-106.5 33.4 6.0 22.4 55.0 132 175 A L + 0 0 1 42,-0.1 20,-0.1 3,-0.1 5,-0.0 -0.436 15.2 144.0 -66.0 125.8 7.5 19.6 52.9 133 176 A K > - 0 0 9 -2,-0.2 3,-2.4 62,-0.0 4,-0.2 -0.970 64.1 -88.9-157.2 164.5 11.0 20.5 51.8 134 177 A P G > S+ 0 0 9 0, 0.0 3,-1.7 0, 0.0 -41,-0.5 0.811 121.6 59.6 -50.1 -37.0 14.4 18.9 51.2 135 178 A E G 3 S+ 0 0 54 1,-0.3 -3,-0.1 -43,-0.1 35,-0.0 0.647 99.9 57.9 -67.3 -17.4 15.5 19.4 54.8 136 179 A N G < S+ 0 0 6 -3,-2.4 15,-2.3 1,-0.1 2,-0.6 0.266 90.0 84.2 -92.3 7.4 12.5 17.2 55.9 137 180 A L E < + H 0 150C 0 -3,-1.7 -44,-2.5 13,-0.2 2,-0.4 -0.906 60.3 174.7-113.5 100.1 13.8 14.3 53.8 138 181 A L E -GH 92 149C 36 11,-2.4 11,-3.3 -2,-0.6 2,-0.3 -0.862 31.4-123.6-106.2 139.5 16.4 12.3 55.8 139 182 A L E -GH 91 148C 14 -48,-2.7 -49,-1.9 -2,-0.4 -48,-0.5 -0.668 21.6-130.2 -79.8 135.8 18.0 9.1 54.6 140 183 A E S S- 0 0 64 7,-3.2 -51,-1.6 -2,-0.3 2,-0.3 0.833 79.6 -12.3 -58.7 -38.5 17.4 6.3 57.2 141 184 A S S S- 0 0 31 2,-0.3 5,-0.1 -52,-0.2 -51,-0.1 -0.861 75.3 -92.1-149.4-175.5 21.1 5.3 57.3 142 185 A K S S+ 0 0 140 -2,-0.3 -2,-0.0 3,-0.1 4,-0.0 0.607 83.8 116.4 -80.8 -14.3 24.4 5.8 55.5 143 186 A S S > S- 0 0 70 1,-0.1 3,-1.9 2,-0.1 -2,-0.3 -0.261 74.6-126.9 -57.0 140.7 23.9 2.7 53.3 144 187 A K T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.711 111.9 56.3 -61.6 -20.3 23.6 3.4 49.6 145 188 A D T 3 S+ 0 0 145 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.209 82.2 143.9 -92.9 14.0 20.2 1.5 49.7 146 189 A A < - 0 0 15 -3,-1.9 2,-0.2 -5,-0.1 -4,-0.0 -0.244 46.5-128.3 -68.0 138.3 18.8 3.8 52.4 147 190 A N - 0 0 63 1,-0.1 -7,-3.2 -8,-0.1 2,-0.3 -0.500 23.5-113.0 -77.8 150.9 15.1 4.7 52.4 148 191 A I E - H 0 139C 1 -9,-0.2 2,-0.5 -2,-0.2 -9,-0.2 -0.673 26.4-158.3 -81.9 137.4 14.0 8.3 52.7 149 192 A R E - H 0 138C 25 -11,-3.3 -11,-2.4 -2,-0.3 2,-0.4 -0.988 8.6-144.5-118.8 118.3 12.2 9.2 56.0 150 193 A I E -fH 68 137C 1 -83,-2.0 -81,-2.6 -2,-0.5 3,-0.3 -0.701 21.5-155.9 -81.2 132.0 9.9 12.3 55.9 151 194 A I + 0 0 22 -15,-2.3 -15,-0.0 -2,-0.4 -81,-0.0 -0.722 61.3 25.2-111.7 158.1 10.0 14.2 59.1 152 195 A D S >> S+ 0 0 21 -2,-0.3 3,-1.6 1,-0.2 4,-0.5 0.606 70.4 169.6 69.9 19.1 7.6 16.6 60.9 153 196 A F T 34 S+ 0 0 14 -3,-0.3 -1,-0.2 1,-0.2 -24,-0.2 -0.430 70.0 7.1 -65.4 123.4 4.5 15.2 59.1 154 197 A G T 34 S+ 0 0 0 -26,-0.6 3,-0.5 -2,-0.2 4,-0.3 0.230 99.2 106.2 93.0 -12.6 1.4 16.7 60.8 155 198 A L T X> + 0 0 18 -3,-1.6 3,-2.1 1,-0.2 4,-1.5 0.890 66.8 62.7 -68.6 -42.2 3.2 19.2 63.1 156 199 A S T 3< S+ 0 0 2 -4,-0.5 -1,-0.2 -27,-0.4 5,-0.1 0.731 92.6 66.7 -62.5 -22.1 2.4 22.5 61.3 157 200 A T T 34 S+ 0 0 52 -3,-0.5 -1,-0.3 -29,-0.3 -2,-0.2 0.762 113.1 31.4 -63.4 -26.2 -1.3 22.0 62.0 158 201 A H T <4 S+ 0 0 5 -3,-2.1 -111,-3.0 -4,-0.3 -110,-0.8 0.646 116.5 52.6-110.3 -21.0 -0.7 22.4 65.7 159 202 A F B < S-E 46 0B 2 -4,-1.5 2,-0.4 -113,-0.3 -113,-0.2 -0.944 77.4-121.7-123.0 142.0 2.3 24.8 66.0 160 203 A E - 0 0 96 -115,-2.8 -115,-0.3 -2,-0.4 -3,-0.1 -0.685 32.7-119.3 -83.7 130.6 2.8 28.2 64.5 161 204 A A - 0 0 44 -2,-0.4 -116,-0.1 -5,-0.1 -1,-0.1 -0.227 32.5 -97.0 -65.8 150.8 5.8 28.6 62.3 162 205 A S - 0 0 45 5,-0.2 -1,-0.1 1,-0.1 -118,-0.1 -0.369 18.1-156.5 -65.7 144.7 8.6 31.1 63.2 163 206 A K + 0 0 153 -2,-0.1 2,-0.2 3,-0.0 -1,-0.1 0.562 66.1 105.9 -92.2 -15.0 8.6 34.5 61.5 164 207 A K S > S- 0 0 102 1,-0.1 3,-1.5 3,-0.1 4,-0.3 -0.450 73.8-134.7 -69.1 136.0 12.4 34.8 62.1 165 208 A M G >> S+ 0 0 33 1,-0.3 3,-1.7 2,-0.2 4,-0.8 0.821 101.2 66.1 -64.6 -34.6 14.5 34.3 59.0 166 209 A K G 34 S+ 0 0 55 1,-0.3 -1,-0.3 2,-0.2 131,-0.1 0.718 108.5 41.8 -58.9 -22.1 17.0 31.9 60.7 167 210 A D G <4 S+ 0 0 55 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.438 113.2 55.3 -99.8 -3.5 14.1 29.5 61.0 168 211 A K T X> + 0 0 48 -3,-1.7 3,-1.4 -4,-0.3 4,-0.5 0.349 65.0 133.9-116.6 2.9 12.7 30.1 57.4 169 212 A I T 3< S+ 0 0 5 -4,-0.8 253,-0.1 1,-0.2 252,-0.0 -0.356 82.8 8.5 -58.9 130.1 15.6 29.5 55.1 170 213 A G T >> S+ 0 0 11 251,-0.2 3,-0.9 -2,-0.1 4,-0.6 -0.012 99.6 104.5 93.0 -27.9 14.4 27.4 52.2 171 214 A T H X> + 0 0 39 -3,-1.4 4,-0.9 1,-0.2 3,-0.9 0.830 69.1 60.4 -64.8 -38.8 10.7 27.5 53.0 172 215 A A H 3< S+ 0 0 7 -4,-0.5 -1,-0.2 1,-0.2 3,-0.2 0.793 97.6 59.9 -59.0 -33.3 9.5 30.0 50.4 173 216 A Y H <4 S+ 0 0 10 -3,-0.9 -1,-0.2 1,-0.2 34,-0.2 0.846 112.4 36.4 -63.4 -33.3 10.5 27.8 47.4 174 217 A Y H << S+ 0 0 9 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.519 85.2 110.6-106.0 -11.0 8.3 24.9 48.4 175 218 A I < - 0 0 33 -4,-0.9 -44,-0.1 -3,-0.2 14,-0.1 -0.464 67.8-120.0 -75.7 136.9 5.1 26.3 49.8 176 219 A A >> - 0 0 0 -46,-0.3 3,-1.3 -2,-0.2 4,-1.0 -0.493 19.9-120.6 -75.8 145.6 1.9 25.9 47.7 177 220 A P H 3> S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.831 111.6 58.6 -57.5 -34.1 0.2 29.2 46.6 178 221 A E H 3> S+ 0 0 15 1,-0.2 4,-1.2 2,-0.2 5,-0.4 0.750 97.7 60.0 -68.8 -25.3 -3.1 28.2 48.4 179 222 A V H <4 S+ 0 0 18 -3,-1.3 -1,-0.2 1,-0.2 3,-0.1 0.858 102.0 54.6 -67.6 -34.0 -1.2 28.0 51.7 180 223 A L H < S+ 0 0 66 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.862 112.8 42.3 -63.7 -35.3 -0.3 31.7 51.3 181 224 A H H < S- 0 0 115 -4,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.571 113.4-113.6 -95.2 -13.9 -4.0 32.6 50.8 182 225 A G S < S+ 0 0 52 -4,-1.2 2,-0.8 -3,-0.1 -3,-0.1 -0.001 85.3 95.7 114.2 -29.7 -5.5 30.5 53.6 183 226 A T + 0 0 130 -5,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.851 52.5 142.5 -99.6 104.5 -7.6 27.8 51.9 184 227 A Y + 0 0 77 -2,-0.8 2,-0.2 -5,-0.1 -5,-0.0 -0.960 22.6 177.0-141.1 159.0 -5.5 24.6 51.6 185 228 A D > - 0 0 69 -2,-0.3 3,-2.4 -55,-0.0 4,-0.2 -0.733 59.3 -57.5-143.9-171.0 -5.8 20.9 51.9 186 229 A E T > S+ 0 0 78 1,-0.3 3,-1.7 -2,-0.2 4,-0.5 0.719 118.2 78.1 -51.4 -24.8 -3.7 17.7 51.4 187 230 A K T >> S+ 0 0 27 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.699 75.8 75.9 -59.2 -19.6 -3.0 18.8 47.7 188 231 A C H <> S+ 0 0 0 -3,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.808 89.4 57.9 -63.2 -28.3 -0.4 21.3 49.0 189 232 A D H <> S+ 0 0 0 -3,-1.7 4,-1.7 -4,-0.2 -1,-0.2 0.800 101.0 54.5 -70.5 -30.4 2.0 18.4 49.6 190 233 A V H <> S+ 0 0 1 -3,-0.6 4,-2.0 -4,-0.5 -1,-0.2 0.854 107.7 51.3 -71.2 -35.4 1.9 17.4 45.9 191 234 A W H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.940 109.5 48.4 -62.4 -51.1 2.9 20.9 44.9 192 235 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.866 111.0 51.4 -59.5 -38.4 5.9 20.9 47.3 193 236 A T H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.893 106.9 54.6 -65.5 -39.5 6.9 17.5 45.9 194 237 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.881 107.5 49.6 -58.0 -41.7 6.6 19.0 42.4 195 238 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.929 111.1 49.5 -63.9 -43.8 9.0 21.7 43.4 196 239 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 111.5 48.8 -61.2 -43.4 11.4 19.2 44.8 197 240 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.875 107.9 54.7 -63.9 -39.2 11.2 17.1 41.6 198 241 A Y H X S+ 0 0 7 -4,-2.3 4,-1.3 1,-0.2 6,-0.4 0.893 111.9 44.7 -58.3 -42.0 11.8 20.2 39.5 199 242 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.817 107.7 57.4 -74.8 -33.0 15.0 20.9 41.4 200 243 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.1 37.3 -64.0 -37.8 16.1 17.2 41.3 201 244 A L H < S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.670 135.4 18.7 -91.0 -21.0 16.1 17.2 37.5 202 245 A S H < S- 0 0 0 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.585 88.3-130.7-120.9 -23.1 17.3 20.8 36.8 203 246 A G S < S+ 0 0 3 -4,-2.0 82,-0.2 -5,-0.3 -4,-0.2 0.496 76.1 94.5 79.7 4.9 19.1 21.9 40.0 204 247 A C S S- 0 0 33 -6,-0.4 -1,-0.2 81,-0.0 -2,-0.2 -0.966 80.9-108.5-126.9 143.7 17.2 25.3 40.2 205 248 A P - 0 0 11 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.470 19.9-138.5 -64.9 140.3 14.0 26.3 42.0 206 249 A P S S+ 0 0 18 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.875 98.5 43.5 -64.3 -36.1 11.1 26.8 39.6 207 250 A F S S+ 0 0 1 -34,-0.2 2,-0.2 17,-0.1 8,-0.1 -0.945 82.5 152.5-114.1 113.7 10.1 29.9 41.6 208 251 A N + 0 0 64 -2,-0.6 2,-0.3 -3,-0.1 10,-0.1 -0.790 11.2 158.6-137.1 172.4 13.1 32.0 42.6 209 252 A G - 0 0 29 -2,-0.2 6,-0.1 8,-0.0 -2,-0.0 -0.957 53.2 -85.5 173.9 171.0 13.9 35.6 43.3 210 253 A A S S+ 0 0 74 -2,-0.3 2,-0.3 4,-0.0 213,-0.1 0.529 106.3 3.9 -76.8 -10.0 16.4 38.0 45.0 211 254 A N S > S- 0 0 50 1,-0.1 4,-1.8 210,-0.1 3,-0.2 -0.956 89.4 -83.0-163.3 174.6 14.7 37.7 48.4 212 255 A E H > S+ 0 0 35 208,-0.5 4,-2.3 -2,-0.3 5,-0.2 0.890 123.8 47.8 -56.6 -46.2 12.0 35.9 50.3 213 256 A Y H > S+ 0 0 156 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.842 109.0 54.0 -69.5 -32.9 9.2 38.1 49.2 214 257 A D H > S+ 0 0 52 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.852 109.3 49.5 -65.3 -35.1 10.2 38.0 45.6 215 258 A I H X S+ 0 0 9 -4,-1.8 4,-2.4 2,-0.2 3,-0.2 0.949 110.5 49.5 -65.4 -48.8 10.1 34.2 45.8 216 259 A L H X S+ 0 0 33 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.834 107.3 54.9 -61.0 -36.1 6.6 34.3 47.3 217 260 A K H X S+ 0 0 85 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.876 109.9 47.4 -63.3 -39.5 5.4 36.7 44.6 218 261 A K H X>S+ 0 0 102 -4,-1.5 4,-1.5 -3,-0.2 5,-0.5 0.899 112.0 48.5 -67.0 -44.1 6.6 34.1 42.0 219 262 A V H <5S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.921 110.1 52.9 -60.2 -44.4 4.9 31.2 43.8 220 263 A E H <5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.4 47.1 -63.7 -38.3 1.7 33.2 44.1 221 264 A K H <5S- 0 0 131 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.743 97.3-152.5 -72.7 -26.5 1.7 33.9 40.3 222 265 A G T <5 + 0 0 10 -4,-1.5 2,-0.4 1,-0.2 -3,-0.1 0.526 41.7 140.0 73.1 8.6 2.4 30.2 39.8 223 266 A K < + 0 0 170 -5,-0.5 2,-0.3 25,-0.0 -1,-0.2 -0.720 17.9 157.5 -93.6 133.2 4.2 30.6 36.4 224 267 A Y - 0 0 53 -2,-0.4 2,-0.3 -17,-0.1 -17,-0.1 -0.912 22.2-144.2-144.4 166.4 7.3 28.5 35.7 225 268 A T - 0 0 84 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.946 19.6-148.9-137.9 158.1 9.1 27.4 32.5 226 269 A F + 0 0 47 -2,-0.3 13,-0.0 1,-0.1 -2,-0.0 -0.324 67.5 112.8-112.2 43.6 11.1 24.4 31.1 227 270 A E + 0 0 153 4,-0.0 -1,-0.1 3,-0.0 5,-0.0 0.478 40.6 109.7-101.2 -4.3 13.2 26.6 28.9 228 271 A L S > S- 0 0 64 -3,-0.2 3,-0.8 1,-0.1 4,-0.3 -0.275 79.3-112.7 -66.4 157.8 16.7 26.2 30.6 229 272 A P G > S+ 0 0 85 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.887 112.7 59.2 -58.3 -42.1 19.4 24.2 28.7 230 273 A Q G > S+ 0 0 15 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.669 91.4 69.7 -68.3 -17.0 19.4 21.3 31.2 231 274 A W G X S+ 0 0 1 -3,-0.8 3,-1.1 1,-0.2 -1,-0.3 0.686 84.5 70.0 -70.9 -19.1 15.7 20.5 30.6 232 275 A K G < S+ 0 0 165 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.713 92.5 59.0 -70.5 -19.9 16.5 19.3 27.1 233 276 A K G < S+ 0 0 88 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.2 0.647 94.3 90.2 -72.8 -16.9 18.2 16.3 28.8 234 277 A V S < S- 0 0 10 -3,-1.1 -3,-0.0 -4,-0.2 -32,-0.0 -0.618 80.0-112.8 -98.9 141.3 14.8 15.4 30.4 235 278 A S > - 0 0 23 -2,-0.3 4,-1.5 1,-0.1 3,-0.2 -0.234 23.6-121.9 -62.8 153.5 12.0 13.2 29.2 236 279 A E H > S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.815 111.2 59.1 -67.5 -30.3 8.6 14.7 28.3 237 280 A S H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.835 102.0 52.4 -70.4 -35.6 6.9 12.4 30.9 238 281 A A H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 112.5 45.8 -60.3 -47.5 9.0 13.8 33.7 239 282 A K H X S+ 0 0 29 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.796 110.6 55.2 -66.7 -28.1 7.9 17.4 32.6 240 283 A D H X S+ 0 0 48 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.911 108.6 46.1 -70.2 -44.8 4.3 16.1 32.3 241 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 3,-0.3 0.969 111.2 52.6 -60.1 -52.4 4.2 14.9 35.9 242 285 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.873 108.0 51.9 -51.0 -42.9 5.8 18.1 37.1 243 286 A R H < S+ 0 0 117 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.890 110.2 48.3 -60.9 -42.4 3.1 20.1 35.3 244 287 A K H >< S+ 0 0 67 -4,-1.9 10,-1.3 -3,-0.3 3,-0.8 0.879 114.5 45.6 -65.9 -37.2 0.3 18.0 36.9 245 288 A M H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -51,-0.2 0.830 113.4 49.2 -77.3 -34.0 1.9 18.5 40.4 246 289 A L T 3< S+ 0 0 3 -4,-2.5 2,-0.3 -5,-0.3 -1,-0.2 -0.111 79.1 138.0 -95.6 34.7 2.5 22.2 39.9 247 290 A T < - 0 0 32 -3,-0.8 6,-0.1 1,-0.1 -3,-0.1 -0.669 51.8-139.4 -77.6 137.2 -1.1 22.8 38.7 248 291 A Y S S+ 0 0 89 -2,-0.3 -70,-0.2 4,-0.1 -1,-0.1 0.948 84.4 63.7 -71.4 -54.4 -2.4 26.0 40.3 249 292 A V S >> S- 0 0 79 1,-0.1 3,-1.4 3,-0.1 4,-0.7 -0.620 77.4-146.5 -75.0 117.4 -6.0 25.1 41.2 250 293 A P G >4 S+ 0 0 28 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.827 95.5 59.7 -59.3 -35.2 -5.7 22.3 43.8 251 294 A S G 34 S+ 0 0 98 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.796 110.8 43.5 -59.8 -27.9 -8.9 20.5 42.7 252 295 A M G <4 S+ 0 0 146 -3,-1.4 -1,-0.2 2,-0.1 2,-0.2 0.517 94.6 102.0 -94.5 -8.5 -7.2 20.1 39.3 253 296 A R S << S- 0 0 4 -4,-0.7 -8,-0.2 -3,-0.7 -9,-0.1 -0.533 83.2-102.5 -77.2 142.7 -3.9 19.1 40.7 254 297 A I - 0 0 27 -10,-1.3 2,-0.1 -2,-0.2 -1,-0.1 -0.295 35.9-120.6 -62.3 145.0 -2.9 15.4 40.6 255 298 A S > - 0 0 35 1,-0.1 4,-1.6 -65,-0.0 5,-0.1 -0.406 22.6-110.8 -80.7 165.1 -3.3 13.5 43.9 256 299 A A H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -136,-0.2 0.906 117.8 51.0 -60.6 -42.1 -0.3 11.8 45.5 257 300 A R H > S+ 0 0 125 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.869 110.6 47.2 -69.2 -39.8 -1.8 8.3 44.8 258 301 A D H 4 S+ 0 0 91 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.785 105.0 61.1 -70.6 -29.2 -2.3 9.1 41.1 259 302 A A H >< S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.2 6,-0.3 0.863 98.1 58.3 -64.5 -34.9 1.2 10.5 40.9 260 303 A L H 3< S+ 0 0 30 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.818 106.5 48.9 -60.6 -32.1 2.5 7.0 41.9 261 304 A D T 3< S+ 0 0 94 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.427 85.5 125.2 -87.0 -0.1 0.7 5.6 38.8 262 305 A H S X> S- 0 0 15 -3,-1.2 4,-2.4 -4,-0.2 3,-0.6 -0.288 73.5-115.9 -66.5 146.3 2.1 8.2 36.4 263 306 A E H 3> S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.808 113.9 54.0 -48.6 -40.7 4.0 7.0 33.3 264 307 A W H 3> S+ 0 0 0 -27,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.889 110.1 44.9 -65.3 -43.0 7.2 8.6 34.5 265 308 A I H <> S+ 0 0 2 -3,-0.6 4,-1.2 -6,-0.3 -2,-0.2 0.912 115.5 49.4 -66.3 -41.3 7.2 6.8 37.9 266 309 A Q H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.840 116.4 40.4 -66.7 -36.2 6.2 3.5 36.2 267 310 A T H >< S+ 0 0 78 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.926 118.6 41.0 -79.6 -47.1 9.0 3.7 33.6 268 311 A Y H 3< S+ 0 0 44 -4,-2.0 -158,-0.2 1,-0.2 -2,-0.2 0.525 114.0 50.1 -89.3 -7.5 12.0 5.0 35.5 269 312 A T T 3< 0 0 13 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 0.169 360.0 360.0-109.0 16.3 11.5 2.9 38.7 270 313 A K < 0 0 171 -3,-0.8 -3,-0.1 -4,-0.0 -4,-0.0 -0.463 360.0 360.0 -75.5 360.0 11.1 -0.4 36.9 271 ! 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 0.0 272 320 A V 0 0 119 0, 0.0 2,-0.0 0, 0.0 -168,-0.0 0.000 360.0 360.0 360.0 146.3 19.7 6.6 30.8 273 321 A P - 0 0 87 0, 0.0 -168,-0.5 0, 0.0 2,-0.2 -0.329 360.0-111.9 -77.0 154.8 22.1 9.6 30.8 274 322 A S - 0 0 35 -170,-0.1 2,-1.0 -169,-0.1 -170,-0.2 -0.566 21.1-130.6 -78.6 147.9 23.5 11.2 33.9 275 323 A L > + 0 0 3 -172,-3.3 4,-1.9 -2,-0.2 3,-0.2 -0.660 37.6 165.1-101.8 76.1 22.4 14.8 34.7 276 324 A D H > S+ 0 0 103 -2,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.862 73.8 51.4 -61.1 -40.8 25.8 16.4 35.2 277 325 A N H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.827 108.1 51.9 -70.0 -33.1 24.4 20.0 35.0 278 326 A A H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.916 109.0 50.0 -67.9 -43.9 21.7 19.3 37.6 279 327 A I H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.887 109.6 52.7 -59.0 -41.7 24.2 17.9 40.1 280 328 A L H X S+ 0 0 104 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.918 112.7 43.5 -59.5 -45.8 26.4 21.0 39.6 281 329 A N H X S+ 0 0 34 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.872 111.5 52.7 -72.2 -37.6 23.5 23.4 40.3 282 330 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.873 108.2 52.0 -64.9 -37.4 22.2 21.4 43.3 283 331 A R H X S+ 0 0 98 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.906 114.1 42.7 -64.6 -42.1 25.7 21.5 44.9 284 332 A Q H X S+ 0 0 137 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.887 114.6 50.5 -68.8 -43.3 25.8 25.3 44.4 285 333 A F H X S+ 0 0 22 -4,-2.8 4,-2.4 -82,-0.2 -2,-0.2 0.950 113.1 46.8 -56.5 -50.2 22.2 25.7 45.6 286 334 A Q H X S+ 0 0 13 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.897 112.0 48.8 -61.2 -47.2 23.0 23.6 48.7 287 335 A G H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.884 112.9 48.9 -61.5 -40.6 26.2 25.4 49.5 288 336 A T H X S+ 0 0 12 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.901 112.3 47.1 -65.4 -44.9 24.4 28.8 49.1 289 337 A Q H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.912 113.4 48.6 -64.3 -43.6 21.5 27.8 51.3 290 338 A K H X S+ 0 0 51 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.828 109.3 51.2 -70.0 -34.3 23.7 26.4 54.1 291 339 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.890 110.1 49.7 -71.3 -38.6 26.1 29.4 54.2 292 340 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.931 112.6 48.3 -62.1 -45.2 23.1 31.8 54.6 293 341 A Q H X S+ 0 0 32 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.947 112.9 47.4 -55.1 -51.4 21.7 29.5 57.4 294 342 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.848 111.2 52.2 -63.2 -35.4 25.2 29.5 59.1 295 343 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.945 112.0 44.6 -64.8 -49.7 25.4 33.3 58.7 296 344 A L H X S+ 0 0 19 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.872 114.1 50.2 -62.2 -38.7 22.0 33.8 60.4 297 345 A L H X S+ 0 0 40 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.856 110.0 50.6 -69.2 -35.7 22.8 31.3 63.1 298 346 A Y H X S+ 0 0 13 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.912 110.6 48.5 -65.4 -45.7 26.2 32.9 63.8 299 347 A M H X S+ 0 0 26 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.899 113.0 49.6 -60.4 -42.8 24.5 36.4 64.1 300 348 A G H X S+ 0 0 15 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.922 109.1 50.1 -60.9 -47.3 21.9 34.8 66.5 301 349 A S H X S+ 0 0 31 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.772 107.5 54.5 -69.0 -27.0 24.5 33.1 68.7 302 350 A K H X S+ 0 0 55 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.910 111.8 44.5 -67.9 -43.0 26.4 36.4 69.0 303 351 A L H X S+ 0 0 87 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.945 111.7 52.4 -65.4 -46.8 23.2 38.1 70.2 304 352 A T H X S+ 0 0 36 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.870 109.8 51.2 -53.2 -40.2 22.4 35.2 72.6 305 353 A S H X S+ 0 0 20 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.902 106.4 51.3 -66.3 -44.8 25.9 35.5 74.0 306 354 A Q H X S+ 0 0 55 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.917 115.9 44.8 -56.1 -44.5 25.6 39.3 74.7 307 355 A D H X S+ 0 0 79 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.972 117.6 41.3 -61.0 -58.8 22.4 38.5 76.5 308 356 A E H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.804 107.9 59.4 -67.5 -34.6 23.6 35.5 78.5 309 357 A T H X S+ 0 0 43 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.954 111.5 39.6 -60.1 -51.4 27.0 36.8 79.5 310 358 A K H X S+ 0 0 142 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.2 0.873 115.6 52.7 -68.2 -37.5 25.6 39.8 81.3 311 359 A E H X S+ 0 0 51 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.919 110.1 47.2 -62.6 -45.6 22.8 37.8 82.8 312 360 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.862 110.3 52.8 -66.8 -37.9 25.1 35.1 84.2 313 361 A T H X S+ 0 0 52 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.874 111.0 47.2 -62.8 -39.9 27.4 37.8 85.7 314 362 A A H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.843 109.4 53.6 -73.1 -35.1 24.4 39.4 87.5 315 363 A I H X S+ 0 0 12 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.920 115.2 40.5 -62.1 -44.4 23.2 36.0 88.8 316 364 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.876 111.0 55.9 -73.2 -41.0 26.6 35.3 90.3 317 365 A H H < S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.935 111.7 44.9 -54.0 -47.6 27.2 38.9 91.6 318 366 A K H < S+ 0 0 174 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.864 113.1 51.1 -61.4 -39.4 23.9 38.5 93.5 319 367 A M H < S+ 0 0 54 -4,-1.5 2,-2.3 1,-0.2 -2,-0.2 0.830 91.9 79.9 -66.5 -35.0 24.9 35.0 94.6 320 368 A D >< + 0 0 14 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 -0.450 57.3 167.1 -76.5 71.3 28.3 36.4 95.9 321 369 A K T 3 S+ 0 0 102 -2,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.808 74.4 52.3 -59.6 -33.0 26.8 37.8 99.1 322 370 A N T 3 S- 0 0 141 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.820 101.4-138.9 -73.8 -34.2 30.3 38.3 100.6 323 371 A G < + 0 0 57 -3,-0.5 -2,-0.1 -6,-0.1 -3,-0.1 0.663 67.1 116.9 87.5 20.9 31.4 40.2 97.5 324 372 A D S S- 0 0 92 2,-0.2 3,-0.1 0, 0.0 -3,-0.1 0.341 84.1-113.0-100.5 4.8 35.0 38.9 97.0 325 373 A G S S+ 0 0 11 1,-0.2 51,-1.8 -5,-0.2 2,-0.5 0.524 76.1 126.8 78.6 8.7 34.3 37.3 93.6 326 374 A Q E +I 375 0D 76 49,-0.2 2,-0.3 50,-0.1 49,-0.2 -0.878 26.4 162.0-109.6 122.7 34.7 33.7 94.9 327 375 A L E -I 374 0D 2 47,-2.7 47,-4.1 -2,-0.5 2,-0.1 -0.936 29.1-125.6-130.2 156.5 32.1 31.0 94.4 328 376 A D E > -I 373 0D 40 -2,-0.3 4,-2.5 45,-0.3 3,-0.2 -0.428 35.2 -95.7 -95.0 174.3 32.3 27.1 94.6 329 377 A R H > S+ 0 0 67 43,-0.5 4,-2.3 41,-0.4 5,-0.2 0.877 124.4 50.8 -56.9 -43.0 31.3 24.5 92.1 330 378 A A H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.845 111.5 48.4 -65.2 -35.0 27.9 23.9 93.6 331 379 A E H > S+ 0 0 65 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 110.7 50.5 -71.7 -40.1 27.2 27.7 93.5 332 380 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.889 112.0 48.2 -61.9 -41.1 28.4 27.9 89.9 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343 391 A K < - 0 0 44 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.959 70.0-168.1 -86.2 -69.0 16.2 31.9 79.4 344 392 A G + 0 0 8 -5,-0.4 -302,-0.1 -4,-0.3 -4,-0.1 0.904 46.2 126.0 71.2 44.5 15.3 28.3 78.5 345 393 A Q + 0 0 86 1,-0.1 2,-0.8 -41,-0.0 -5,-0.1 0.777 45.3 80.8 -97.6 -37.6 17.3 28.5 75.3 346 394 A D > - 0 0 35 1,-0.2 3,-0.8 3,-0.1 -1,-0.1 -0.651 50.2-176.7 -86.2 108.1 19.6 25.4 75.7 347 395 A A T 3 S+ 0 0 12 -2,-0.8 -1,-0.2 1,-0.2 3,-0.2 0.802 81.7 62.6 -69.0 -30.9 17.8 22.2 74.7 348 396 A S T 3 S+ 0 0 39 1,-0.2 2,-0.7 2,-0.1 3,-0.2 0.561 85.7 74.3 -76.1 -10.1 20.8 20.1 75.7 349 397 A M < + 0 0 22 -3,-0.8 -1,-0.2 1,-0.2 6,-0.1 -0.433 60.7 153.7 -95.2 57.7 20.6 21.1 79.4 350 398 A L - 0 0 33 -2,-0.7 2,-0.2 -3,-0.2 -1,-0.2 0.839 61.3 -0.5 -59.3 -41.4 17.5 18.9 79.9 351 399 A D S >> S- 0 0 40 -3,-0.2 4,-1.2 -346,-0.1 3,-0.8 -0.729 86.6 -82.2-138.7-176.4 18.0 18.3 83.6 352 400 A A H 3> S+ 0 0 42 1,-0.2 4,-1.6 -2,-0.2 -2,-0.0 0.824 121.9 59.7 -61.0 -34.3 20.2 19.1 86.6 353 401 A S H 3> S+ 0 0 79 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.708 101.3 54.1 -71.7 -21.5 22.7 16.4 85.7 354 402 A A H <> S+ 0 0 26 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.908 107.7 48.7 -75.8 -45.3 23.4 18.0 82.3 355 403 A V H X S+ 0 0 2 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.826 106.6 57.3 -64.9 -33.9 24.3 21.3 83.7 356 404 A E H X S+ 0 0 73 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.899 108.0 47.6 -62.3 -41.6 26.6 19.7 86.3 357 405 A H H X S+ 0 0 117 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.878 111.5 50.3 -66.4 -39.0 28.6 18.1 83.4 358 406 A E H X S+ 0 0 30 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 108.7 50.7 -67.3 -43.4 28.7 21.4 81.6 359 407 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.952 111.4 49.7 -55.6 -48.9 30.1 23.3 84.6 360 408 A D H X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.811 107.9 53.5 -60.4 -35.3 32.7 20.6 85.0 361 409 A Q H X S+ 0 0 76 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.885 111.5 45.1 -66.9 -40.1 33.7 20.9 81.3 362 410 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.902 113.9 49.4 -68.6 -42.4 34.2 24.6 81.7 363 411 A L H X>S+ 0 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393 441 A E H X S+ 0 0 91 -4,-1.9 4,-2.3 -3,-0.2 -2,-0.2 0.821 107.3 56.9 -76.3 -33.8 33.7 27.2 63.5 394 442 A R H X S+ 0 0 83 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.897 108.1 48.6 -59.6 -43.7 30.3 26.2 62.0 395 443 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.929 110.8 50.2 -61.6 -47.9 30.3 29.4 60.0 396 444 A E H X S+ 0 0 55 -4,-1.6 4,-2.7 2,-0.2 3,-0.3 0.924 108.3 51.4 -59.6 -48.8 33.9 28.9 58.8 397 445 A R H X S+ 0 0 143 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.901 111.0 49.3 -54.8 -42.4 33.2 25.3 57.6 398 446 A A H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.801 109.7 52.0 -68.4 -30.7 30.2 26.6 55.7 399 447 A F H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.921 110.8 47.1 -67.0 -48.4 32.4 29.4 54.2 400 448 A R H < S+ 0 0 111 -4,-2.7 6,-0.3 2,-0.2 -2,-0.2 0.884 111.6 51.2 -59.2 -42.6 35.0 26.8 53.0 401 449 A M H < S+ 0 0 118 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.901 110.8 47.5 -65.2 -41.7 32.3 24.5 51.6 402 450 A F H < S+ 0 0 26 -4,-1.7 2,-2.1 1,-0.2 -1,-0.2 0.861 99.9 70.4 -66.2 -36.8 30.8 27.4 49.6 403 451 A D >< + 0 0 11 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 -0.483 62.9 163.4 -80.9 70.5 34.2 28.4 48.4 404 452 A S T 3 + 0 0 93 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.722 69.4 57.8 -66.1 -24.8 34.5 25.3 46.1 405 453 A D T 3 S- 0 0 141 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.416 104.2-128.6 -81.6 -0.7 37.4 26.8 44.1 406 454 A N < + 0 0 139 -3,-1.7 -2,-0.1 -6,-0.3 -6,-0.0 0.815 63.7 140.5 52.4 34.8 39.5 27.2 47.3 407 455 A S - 0 0 72 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.740 61.6-131.1 -74.3 -26.3 40.1 30.8 46.2 408 456 A G S S+ 0 0 22 1,-0.2 38,-0.5 -5,-0.2 2,-0.3 0.358 74.8 89.4 88.5 -1.6 39.8 32.0 49.8 409 457 A K E -J 445 0E 69 36,-0.2 2,-0.5 37,-0.1 -1,-0.2 -0.897 62.6-147.2-132.3 150.3 37.3 34.7 48.7 410 458 A I E -J 444 0E 0 34,-2.8 34,-2.3 -2,-0.3 -7,-0.0 -0.988 30.1-132.2-113.3 127.3 33.6 35.4 48.2 411 459 A S E > -J 443 0E 38 -2,-0.5 4,-2.1 32,-0.2 32,-0.3 -0.229 21.0-110.8 -72.3 165.7 32.8 37.8 45.4 412 460 A S H > S+ 0 0 36 30,-2.0 4,-1.7 2,-0.2 31,-0.1 0.813 120.0 54.6 -67.6 -32.0 30.3 40.7 45.7 413 461 A T H > S+ 0 0 109 29,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.920 109.3 48.0 -63.8 -45.3 27.9 39.0 43.3 414 462 A E H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.878 107.5 55.4 -63.5 -38.2 28.0 35.9 45.6 415 463 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.890 105.5 53.0 -62.0 -39.1 27.5 38.1 48.7 416 464 A A H X S+ 0 0 44 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.915 110.9 46.6 -60.5 -44.8 24.3 39.5 47.1 417 465 A T H X S+ 0 0 73 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.935 115.8 45.4 -60.6 -49.0 23.0 35.9 46.5 418 466 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 116.3 43.8 -61.9 -51.4 23.9 34.9 50.1 419 467 A F H <>S+ 0 0 1 -4,-3.2 5,-2.3 2,-0.2 4,-0.3 0.755 110.1 58.3 -70.1 -24.5 22.4 38.0 51.7 420 468 A G H ><5S+ 0 0 12 -4,-1.8 3,-0.7 -5,-0.3 -208,-0.5 0.927 109.6 42.5 -64.5 -47.0 19.4 37.7 49.5 421 469 A V H 3<5S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.5 50.3 -64.9 -37.8 18.7 34.2 50.8 422 470 A S T 3<5S- 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.519 109.3-130.4 -75.7 -9.8 19.4 35.5 54.3 423 471 A D T < 5 + 0 0 70 -3,-0.7 2,-0.6 -4,-0.3 -3,-0.2 0.788 49.8 157.1 60.6 32.7 17.0 38.4 53.7 424 472 A V < - 0 0 23 -5,-2.3 -1,-0.2 -6,-0.1 5,-0.1 -0.814 55.1 -98.5 -85.3 121.4 19.5 41.1 54.8 425 473 A D > - 0 0 93 -2,-0.6 4,-1.9 -3,-0.1 3,-0.4 -0.040 27.1-130.4 -42.2 132.7 18.5 44.4 53.2 426 474 A S H > S+ 0 0 62 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.899 107.0 45.8 -57.7 -47.9 20.6 45.1 50.0 427 475 A E H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.784 110.0 58.4 -65.0 -28.7 21.5 48.6 51.0 428 476 A T H > S+ 0 0 66 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.909 108.7 39.6 -72.8 -45.1 22.4 47.5 54.6 429 477 A W H X S+ 0 0 8 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.880 111.9 56.7 -75.8 -36.6 25.1 44.9 53.7 430 478 A K H X S+ 0 0 98 -4,-1.7 4,-3.1 -5,-0.3 5,-0.2 0.911 107.2 51.0 -56.6 -43.2 26.6 47.0 51.0 431 479 A S H X S+ 0 0 72 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.920 111.9 45.8 -56.8 -47.6 27.1 49.7 53.7 432 480 A V H X S+ 0 0 11 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.882 113.3 50.6 -65.5 -38.2 28.7 47.1 56.0 433 481 A L H >X S+ 0 0 15 -4,-3.1 4,-4.5 1,-0.2 3,-0.7 0.937 108.4 51.2 -61.5 -50.1 30.9 45.9 53.0 434 482 A S H 3< S+ 0 0 83 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.826 106.7 56.0 -57.6 -33.8 31.9 49.5 52.2 435 483 A E H 3< S+ 0 0 98 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.819 122.7 25.1 -67.3 -32.0 32.9 50.0 55.9 436 484 A V H << S+ 0 0 29 -4,-1.1 2,-1.3 -3,-0.7 -2,-0.2 0.771 114.4 64.1-103.8 -35.4 35.3 46.9 55.7 437 485 A D >< + 0 0 18 -4,-4.5 3,-0.6 -5,-0.2 -1,-0.2 -0.653 55.5 151.6 -91.2 78.3 36.2 46.7 52.0 438 486 A K T 3 + 0 0 155 -2,-1.3 -1,-0.2 1,-0.2 -4,-0.1 0.250 64.7 63.5 -93.7 11.8 38.0 50.1 51.6 439 487 A N T 3 S- 0 0 118 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.322 103.7-123.1-112.7 4.4 40.3 48.8 48.8 440 488 A N < + 0 0 150 -3,-0.6 -2,-0.1 -6,-0.1 -6,-0.0 0.849 59.6 148.2 57.4 38.4 37.4 48.2 46.3 441 489 A D - 0 0 77 2,-0.2 -29,-0.1 1,-0.1 -1,-0.1 0.783 50.4-140.0 -71.4 -26.5 38.3 44.5 45.9 442 490 A G S S+ 0 0 31 1,-0.2 -30,-2.0 -5,-0.1 2,-0.3 0.768 74.2 71.4 68.6 27.0 34.7 43.6 45.3 443 491 A E E -J 411 0E 72 -32,-0.3 2,-0.3 -31,-0.1 -32,-0.2 -0.977 64.8-145.9-165.7 158.2 35.3 40.5 47.4 444 492 A V E -J 410 0E 0 -34,-2.3 -34,-2.8 -2,-0.3 2,-0.1 -0.974 8.7-140.9-134.1 145.4 35.9 39.4 51.0 445 493 A D E > -J 409 0E 53 -2,-0.3 4,-2.1 -36,-0.2 -36,-0.2 -0.343 47.7 -85.0 -88.1-177.4 37.9 36.6 52.7 446 494 A F H > S+ 0 0 11 -38,-0.5 4,-2.7 1,-0.2 5,-0.2 0.905 126.5 48.5 -59.9 -48.5 36.6 34.7 55.7 447 495 A D H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 111.8 50.3 -61.3 -40.5 37.6 37.1 58.4 448 496 A E H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 111.1 50.1 -63.1 -38.6 36.2 40.1 56.5 449 497 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 109.5 50.0 -65.1 -45.6 32.9 38.1 56.1 450 498 A Q H X S+ 0 0 21 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 109.5 52.8 -57.3 -45.8 32.9 37.4 59.9 451 499 A Q H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.883 106.5 52.5 -58.7 -41.5 33.4 41.1 60.5 452 500 A M H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.944 109.1 49.4 -58.1 -49.6 30.4 42.0 58.3 453 501 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 108.6 52.0 -60.7 -39.2 28.1 39.7 60.2 454 502 A L H ><>S+ 0 0 39 -4,-2.1 5,-2.5 1,-0.2 3,-1.2 0.913 111.2 48.5 -62.7 -40.8 29.3 41.1 63.5 455 503 A K H ><5S+ 0 0 71 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.756 106.6 57.3 -68.5 -26.0 28.4 44.6 62.1 456 504 A L T 3<5S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.362 107.2 48.7 -87.8 3.1 25.0 43.2 60.9 457 505 A C T < 5S- 0 0 12 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.1 -0.167 129.5 -87.8-130.1 41.9 24.1 42.2 64.5 458 506 A G T < 5 0 0 70 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.688 360.0 360.0 69.5 24.7 25.1 45.5 66.3 459 507 A N < 0 0 87 -5,-2.5 -2,-0.2 -6,-0.1 -1,-0.1 -0.903 360.0 360.0-126.7 360.0 28.8 44.8 66.9