==== 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 3UPX . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.A.MERRITT,E.T.LARSON . 445 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 71.7 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 . 44 9.9 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 . 27 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 0 1 0 0 4 2 1 1 0 0 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 1 1 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 . 1 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 0 203 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.1 10.5 11.3 51.9 2 45 A A - 0 0 70 74,-0.1 74,-0.4 4,-0.0 2,-0.3 -0.989 360.0-129.7-134.5 136.3 14.1 10.2 51.0 3 46 A I > - 0 0 92 -2,-0.4 4,-0.7 1,-0.1 3,-0.5 -0.611 8.0-138.9 -95.8 143.7 17.3 12.2 50.7 4 47 A F H >> S+ 0 0 6 -2,-0.3 4,-2.7 1,-0.2 3,-0.6 0.858 98.9 48.4 -66.8 -43.9 19.7 12.2 47.8 5 48 A S H 34 S+ 0 0 29 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.518 98.0 69.5 -87.1 -4.7 23.1 12.2 49.5 6 49 A D H 34 S+ 0 0 122 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.846 116.7 26.6 -64.8 -36.5 22.0 9.4 51.8 7 50 A R H << S+ 0 0 102 -4,-0.7 21,-2.6 -3,-0.6 2,-0.3 0.831 124.3 41.4 -97.7 -40.2 22.2 7.3 48.6 8 51 A Y E < -A 27 0A 11 -4,-2.7 2,-0.3 19,-0.2 19,-0.2 -0.877 53.7-165.1-119.4 148.5 24.7 9.0 46.3 9 52 A K E -A 26 0A 100 17,-1.9 17,-2.6 -2,-0.3 2,-0.3 -0.949 32.6-106.0-122.5 148.7 28.1 10.6 46.6 10 53 A G E +A 25 0A 37 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.529 29.7 178.2 -75.9 133.8 29.8 12.9 44.1 11 54 A Q E - 0 0 86 13,-3.6 2,-0.3 1,-0.3 14,-0.2 0.852 64.6 -42.8 -92.5 -55.2 32.7 11.4 42.1 12 55 A R E -A 24 0A 152 12,-1.4 12,-2.5 0, 0.0 -1,-0.3 -0.947 61.2 -87.2-175.0 151.8 33.5 14.4 39.8 13 56 A V E -A 23 0A 64 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.438 29.9-173.8 -72.6 143.4 31.8 17.1 37.7 14 57 A L E - 0 0 72 8,-2.4 2,-0.3 1,-0.4 9,-0.2 0.749 51.0 -70.1-106.3 -39.1 31.0 16.2 34.1 15 58 A G E -A 22 0A 34 7,-1.3 7,-2.9 2,-0.0 2,-0.6 -0.966 46.6 -77.0 165.5-176.3 29.8 19.4 32.5 16 59 A K E +A 21 0A 89 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.928 46.7 174.4-117.0 103.3 27.0 22.0 32.4 17 60 A G E > -A 20 0A 20 3,-1.2 3,-0.9 -2,-0.6 2,-0.0 -0.270 48.9 -55.5 -88.3-174.7 24.0 20.9 30.4 18 61 A S T 3 S+ 0 0 23 1,-0.2 -1,-0.2 -2,-0.1 143,-0.1 -0.382 123.1 10.5 -59.9 141.4 20.7 22.8 30.0 19 62 A F T 3 S- 0 0 15 -3,-0.1 21,-0.5 24,-0.1 2,-0.3 0.131 130.4 -16.4 75.6 -15.8 19.0 23.6 33.3 20 63 A G E < S-AB 17 39A 2 -3,-0.9 -3,-1.2 19,-0.2 19,-0.2 -0.962 81.7 -58.6 166.3 175.7 21.9 22.7 35.5 21 64 A E E -AB 16 38A 21 17,-0.7 17,-2.7 -2,-0.3 2,-0.5 -0.482 40.7-135.6 -81.8 148.9 25.3 20.9 36.1 22 65 A V E -AB 15 37A 29 -7,-2.9 -8,-2.4 15,-0.2 -7,-1.3 -0.936 21.1-166.4-107.0 129.2 25.7 17.2 35.6 23 66 A I E -AB 13 36A 2 13,-3.1 13,-2.7 -2,-0.5 2,-0.5 -0.961 21.2-129.6-121.1 126.6 27.7 15.4 38.3 24 67 A L E +AB 12 35A 10 -12,-2.5 -13,-3.6 -2,-0.4 -12,-1.4 -0.646 41.4 178.4 -72.5 120.7 29.1 11.9 38.1 25 68 A C E -AB 10 34A 0 9,-2.7 9,-2.3 -2,-0.5 2,-0.4 -0.834 22.4-141.6-126.5 162.9 27.9 10.1 41.3 26 69 A K E -AB 9 33A 68 -17,-2.6 -17,-1.9 -2,-0.3 2,-0.3 -0.988 22.5-119.2-130.8 131.8 28.2 6.7 42.9 27 70 A D E > -A 8 0A 11 5,-2.3 4,-1.6 -2,-0.4 -19,-0.2 -0.528 24.9-138.7 -64.0 128.3 25.6 4.8 44.8 28 71 A K T 4 S+ 0 0 101 -21,-2.6 -1,-0.1 -2,-0.3 -20,-0.1 0.418 95.8 32.3 -74.8 -0.7 27.2 4.3 48.3 29 72 A I T 4 S+ 0 0 156 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.687 128.6 28.8-118.4 -52.3 26.0 0.6 48.5 30 73 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 1,-0.0 -3,-0.0 0.571 91.7-131.9 -92.1 -11.9 25.9 -0.9 45.0 31 74 A G < + 0 0 30 -4,-1.6 2,-0.2 1,-0.2 -3,-0.1 0.558 47.5 159.4 71.0 9.4 28.7 1.2 43.6 32 75 A Q - 0 0 118 -6,-0.1 -5,-2.3 1,-0.1 2,-0.3 -0.480 35.9-134.6 -70.5 130.8 26.7 2.0 40.4 33 76 A E E +B 26 0A 66 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.624 29.5 177.3 -77.9 142.1 27.9 5.1 38.6 34 77 A C E -B 25 0A 3 -9,-2.3 -9,-2.7 -2,-0.3 2,-0.7 -0.990 33.4-123.8-146.4 152.4 25.2 7.6 37.4 35 78 A A E -BC 24 85A 17 50,-3.0 50,-2.5 -2,-0.3 2,-0.7 -0.874 32.2-163.9 -94.4 110.2 25.0 11.0 35.7 36 79 A V E -BC 23 84A 0 -13,-2.7 -13,-3.1 -2,-0.7 2,-0.5 -0.871 8.3-157.4-103.5 114.6 23.1 13.3 38.0 37 80 A K E -BC 22 83A 13 46,-2.5 46,-2.8 -2,-0.7 2,-0.6 -0.809 12.6-157.0 -84.5 127.0 21.7 16.6 36.6 38 81 A V E -BC 21 82A 12 -17,-2.7 -17,-0.7 -2,-0.5 2,-0.7 -0.931 1.6-157.7-111.6 117.4 21.1 19.0 39.4 39 82 A I E -BC 20 81A 0 42,-2.6 42,-1.7 -2,-0.6 2,-0.9 -0.848 11.3-141.3-100.6 113.8 18.6 21.7 38.8 40 83 A S E >> - C 0 80A 20 -2,-0.7 3,-1.9 -21,-0.5 4,-0.9 -0.653 7.0-159.8 -74.7 105.6 19.0 24.8 41.0 41 84 A K T 34 S+ 0 0 59 38,-1.3 3,-0.4 -2,-0.9 -1,-0.2 0.806 88.5 64.3 -49.2 -38.0 15.4 26.0 41.9 42 85 A R T 34 S+ 0 0 102 37,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.510 116.4 26.5 -71.8 -7.3 16.7 29.5 42.7 43 86 A Q T <4 S+ 0 0 117 -3,-1.9 2,-0.4 1,-0.2 -1,-0.2 0.342 116.1 62.3-131.7 2.1 17.8 30.0 39.1 44 87 A V S < S- 0 0 14 -4,-0.9 -1,-0.2 -3,-0.4 117,-0.1 -0.889 70.8-151.1-135.6 101.7 15.3 27.7 37.1 45 88 A K - 0 0 61 -2,-0.4 115,-2.8 115,-0.2 2,-0.2 -0.357 18.8-120.5 -66.9 148.0 11.6 28.5 37.3 46 89 A Q B -E 159 0B 70 113,-0.2 113,-0.3 1,-0.1 112,-0.1 -0.624 13.3-162.0 -82.5 149.2 9.1 25.6 37.0 47 90 A K S S+ 0 0 82 111,-2.2 2,-0.2 -2,-0.2 112,-0.2 0.610 76.2 42.7 -95.5 -22.2 6.5 25.7 34.2 48 91 A T S S- 0 0 33 110,-0.8 -2,-0.0 1,-0.1 110,-0.0 -0.742 86.7 -98.9-123.2 165.4 4.3 23.1 35.9 49 92 A D > - 0 0 89 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.220 40.1-105.6 -73.2 170.7 3.0 22.1 39.4 50 93 A K H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.881 120.0 58.8 -66.1 -39.5 4.6 19.4 41.6 51 94 A E H > S+ 0 0 131 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.895 108.7 44.5 -52.4 -45.5 1.7 17.0 40.7 52 95 A S H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.790 112.9 49.9 -76.1 -31.7 2.5 17.2 37.0 53 96 A L H X S+ 0 0 8 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.861 108.4 52.5 -74.4 -39.0 6.3 16.9 37.4 54 97 A L H X S+ 0 0 92 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.744 108.9 52.1 -68.7 -24.4 6.0 13.8 39.6 55 98 A R H X S+ 0 0 161 -4,-0.8 4,-2.1 -5,-0.2 -1,-0.2 0.888 110.2 45.2 -78.4 -43.1 3.7 12.2 37.0 56 99 A E H X S+ 0 0 42 -4,-1.4 4,-3.4 2,-0.2 -2,-0.2 0.909 113.7 51.7 -66.8 -41.9 6.1 12.7 34.1 57 100 A V H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.924 108.2 51.0 -56.2 -48.5 9.0 11.5 36.3 58 101 A Q H X S+ 0 0 98 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.913 114.7 44.0 -58.8 -43.4 7.0 8.4 37.1 59 102 A L H >X S+ 0 0 52 -4,-2.1 4,-1.3 2,-0.2 3,-0.9 0.924 109.3 55.1 -65.4 -48.6 6.4 7.8 33.4 60 103 A L H 3< S+ 0 0 28 -4,-3.4 11,-0.4 1,-0.3 3,-0.3 0.864 103.4 56.4 -57.6 -37.5 10.0 8.5 32.3 61 104 A K H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.832 108.8 48.1 -60.5 -32.3 11.4 5.9 34.8 62 105 A Q H << S+ 0 0 129 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.714 92.9 93.2 -83.5 -23.5 9.2 3.3 33.1 63 106 A L < - 0 0 16 -4,-1.3 2,-0.3 -3,-0.3 8,-0.3 -0.341 52.3-177.6 -73.2 154.6 10.1 4.1 29.5 64 107 A D + 0 0 106 6,-0.1 5,-0.1 -2,-0.0 6,-0.1 -0.861 14.9 146.8-160.7 116.1 12.9 2.2 27.8 65 108 A H > - 0 0 26 3,-0.4 3,-1.9 -2,-0.3 53,-0.0 -0.983 49.3-121.3-152.9 140.8 14.5 2.6 24.4 66 109 A P T 3 S+ 0 0 67 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.694 111.7 47.4 -64.5 -14.7 18.1 2.1 23.3 67 110 A N T 3 S+ 0 0 10 82,-0.1 83,-2.5 47,-0.1 2,-0.4 0.179 99.6 80.2-107.5 16.3 18.4 5.7 22.0 68 111 A I B < S-f 150 0C 13 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.978 88.5-103.7-126.1 133.3 16.9 7.4 25.0 69 112 A M - 0 0 52 81,-2.5 2,-0.5 -2,-0.4 -2,-0.1 -0.273 36.8-124.0 -52.1 132.6 18.7 8.2 28.3 70 113 A K - 0 0 37 -4,-0.1 16,-2.2 -6,-0.1 2,-0.6 -0.736 21.7-153.3 -82.2 122.4 17.6 5.8 31.0 71 114 A L E +D 85 0A 14 -2,-0.5 14,-0.3 -11,-0.4 3,-0.1 -0.896 19.1 172.7-101.1 122.7 16.3 7.7 34.0 72 115 A Y E + 0 0 77 12,-2.5 2,-0.3 -2,-0.6 13,-0.2 0.825 56.2 3.1 -95.5 -41.8 16.6 5.8 37.3 73 116 A E E -D 84 0A 43 11,-1.7 11,-2.7 2,-0.0 2,-0.4 -0.991 47.6-150.7-153.7 155.1 15.6 8.2 40.1 74 117 A F E +D 83 0A 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 18.0 178.8-132.3 128.3 14.2 11.6 41.0 75 118 A F E -D 82 0A 20 7,-2.3 7,-3.0 -2,-0.4 2,-0.3 -0.917 4.5-173.3-125.6 158.1 15.0 13.6 44.2 76 119 A E E +D 81 0A 81 -74,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.987 8.3 165.3-147.2 137.0 13.9 16.9 45.5 77 120 A D - 0 0 54 3,-2.2 3,-0.4 -2,-0.3 -2,-0.0 -0.744 58.6 -69.9-132.1-172.4 14.9 19.0 48.5 78 121 A K S S+ 0 0 100 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.901 128.5 23.0 -41.3 -52.9 14.4 22.7 49.6 79 122 A G S S+ 0 0 28 -38,-0.1 -38,-1.3 1,-0.1 -37,-0.6 0.460 119.6 25.2-105.2 -5.1 16.8 24.0 47.0 80 123 A Y E -C 40 0A 56 -3,-0.4 -3,-2.2 -40,-0.2 2,-0.4 -0.991 52.9-131.3-156.5 159.2 17.2 21.5 44.0 81 124 A F E -CD 39 76A 1 -42,-1.7 -42,-2.6 -2,-0.3 2,-0.5 -0.927 23.6-152.8-108.1 143.0 15.9 18.7 41.9 82 125 A Y E -CD 38 75A 18 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.6 -0.962 7.4-169.3-120.7 114.5 18.1 15.7 41.2 83 126 A L E -CD 37 74A 19 -46,-2.8 -46,-2.5 -2,-0.5 2,-0.7 -0.915 10.2-161.9-100.9 114.8 17.7 13.7 38.0 84 127 A V E +CD 36 73A 0 -11,-2.7 -12,-2.5 -2,-0.6 -11,-1.7 -0.880 21.8 157.9-104.7 113.6 19.7 10.5 38.2 85 128 A G E -CD 35 71A 1 -50,-2.5 -50,-3.0 -2,-0.7 -14,-0.2 -0.779 46.4 -73.4-128.7 175.4 20.3 8.8 34.9 86 129 A E - 0 0 52 -16,-2.2 2,-0.4 -2,-0.2 -52,-0.2 -0.326 48.3-124.4 -68.0 148.4 22.7 6.4 33.2 87 130 A V - 0 0 38 -54,-0.4 2,-0.3 -18,-0.0 -1,-0.1 -0.830 21.4-157.4 -98.8 135.1 26.2 7.8 32.5 88 131 A Y - 0 0 27 -2,-0.4 53,-0.2 1,-0.1 52,-0.2 -0.864 11.1-168.2-114.5 147.6 27.6 7.6 28.9 89 132 A T + 0 0 81 51,-1.9 52,-0.2 -2,-0.3 51,-0.2 0.411 67.6 83.6-115.0 -4.0 31.3 7.7 28.0 90 133 A G S S- 0 0 18 49,-1.9 50,-0.2 1,-0.2 51,-0.1 0.597 84.1-139.2 -84.6 -12.1 31.3 8.2 24.2 91 134 A G - 0 0 39 48,-0.5 48,-3.0 49,-0.1 -1,-0.2 -0.233 44.3 -25.2 85.2-174.5 31.0 12.0 24.3 92 135 A E B >> -G 138 0C 48 46,-0.2 4,-1.3 1,-0.1 3,-0.5 -0.441 61.5-120.6 -73.9 145.4 28.9 14.3 22.1 93 136 A L H >> S+ 0 0 2 44,-2.8 4,-2.0 41,-0.6 3,-0.8 0.930 108.7 51.2 -52.1 -50.5 28.1 13.0 18.6 94 137 A F H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.752 104.2 56.0 -65.8 -30.5 29.8 15.9 16.7 95 138 A D H <4 S+ 0 0 65 -3,-0.5 4,-0.4 2,-0.2 -1,-0.3 0.823 110.2 47.1 -69.2 -31.5 33.1 15.6 18.6 96 139 A E H X< S+ 0 0 52 -4,-1.3 3,-0.7 -3,-0.8 -2,-0.2 0.880 111.1 51.9 -74.1 -39.4 33.3 12.0 17.5 97 140 A I H 3< S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.909 102.4 57.0 -63.5 -43.8 32.4 12.9 13.9 98 141 A I T 3< S+ 0 0 36 -4,-2.2 2,-0.4 1,-0.3 -1,-0.2 0.649 97.5 66.5 -66.6 -13.4 35.1 15.6 13.6 99 142 A S S < S+ 0 0 89 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 -0.421 85.9 101.4-100.8 54.0 37.8 12.9 14.5 100 143 A R - 0 0 72 -3,-0.4 3,-0.1 -2,-0.4 -3,-0.0 -0.992 62.2-151.2-138.5 145.1 37.2 10.9 11.3 101 144 A K S S+ 0 0 85 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.890 89.3 24.8 -75.9 -42.7 39.0 10.5 8.0 102 145 A R + 0 0 183 172,-0.0 2,-0.3 177,-0.0 -1,-0.2 -0.912 55.1 174.0-129.8 153.2 35.7 9.7 6.2 103 146 A F + 0 0 1 -2,-0.3 172,-3.3 -3,-0.1 2,-0.2 -0.819 14.2 176.0-158.8 109.6 32.0 10.3 6.6 104 147 A S >> - 0 0 11 -2,-0.3 4,-2.0 170,-0.3 3,-0.6 -0.525 49.9 -92.9-110.6 176.4 29.3 9.3 4.1 105 148 A E H 3> S+ 0 0 14 168,-0.4 4,-3.4 1,-0.2 5,-0.2 0.771 123.9 64.3 -60.7 -26.2 25.5 9.5 3.8 106 149 A V H 3> S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 104.3 44.8 -64.3 -40.1 25.6 5.9 5.2 107 150 A D H <> S+ 0 0 38 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.938 115.5 47.6 -68.0 -45.2 27.1 7.3 8.4 108 151 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.914 111.2 50.4 -61.1 -44.4 24.6 10.2 8.5 109 152 A A H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.895 110.7 49.2 -63.6 -39.5 21.6 7.9 7.8 110 153 A R H X S+ 0 0 130 -4,-1.9 4,-1.4 158,-0.3 -1,-0.2 0.903 112.5 48.3 -65.2 -42.8 22.6 5.5 10.6 111 154 A I H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.934 115.7 43.6 -58.6 -49.4 23.0 8.4 13.0 112 155 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.822 106.5 59.1 -75.0 -30.0 19.6 9.9 12.0 113 156 A R H X S+ 0 0 85 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.898 108.3 48.7 -62.9 -38.3 17.7 6.6 12.0 114 157 A Q H X S+ 0 0 44 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.931 112.5 46.8 -62.6 -46.6 18.8 6.3 15.7 115 158 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.949 114.6 45.6 -64.0 -50.3 17.6 9.8 16.4 116 159 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.825 111.2 55.1 -58.5 -33.9 14.3 9.4 14.7 117 160 A S H X S+ 0 0 35 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.918 109.3 45.7 -70.3 -43.2 13.8 6.0 16.4 118 161 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.935 115.6 47.7 -59.9 -45.6 14.3 7.6 19.8 119 162 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.941 108.1 53.4 -63.6 -49.8 12.0 10.4 18.9 120 163 A T H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.919 109.9 49.4 -51.4 -48.7 9.2 8.2 17.5 121 164 A Y H X S+ 0 0 49 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.909 112.1 47.2 -57.8 -47.6 9.2 6.1 20.7 122 165 A M H ><>S+ 0 0 3 -4,-2.0 5,-2.1 1,-0.2 3,-0.7 0.894 109.8 51.9 -64.5 -43.0 9.0 9.2 22.9 123 166 A H H ><5S+ 0 0 32 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.839 101.8 61.1 -63.8 -36.5 6.2 10.8 20.8 124 167 A K H 3<5S+ 0 0 152 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.796 108.4 44.8 -56.5 -29.8 4.2 7.5 21.1 125 168 A N T <<5S- 0 0 53 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.249 122.5-111.2 -98.8 11.6 4.3 8.2 24.8 126 169 A K T < 5S+ 0 0 188 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.750 70.8 137.4 70.5 31.0 3.4 11.9 24.3 127 170 A I < - 0 0 1 -5,-2.1 2,-0.3 -8,-0.2 -1,-0.2 -0.933 33.6-165.0-112.8 127.8 6.8 13.4 25.4 128 171 A V - 0 0 28 -2,-0.5 26,-1.1 1,-0.1 29,-0.3 -0.811 13.3-163.7-106.6 147.1 8.3 16.2 23.4 129 172 A H + 0 0 2 -2,-0.3 2,-0.8 24,-0.2 27,-0.4 0.874 13.0 177.5 -90.9 -54.1 11.9 17.4 23.6 130 173 A R S S+ 0 0 26 56,-0.1 46,-0.3 1,-0.1 49,-0.1 -0.087 71.7 62.6 75.8 -35.6 11.6 20.8 21.9 131 174 A D + 0 0 33 -2,-0.8 -1,-0.1 21,-0.1 5,-0.1 -0.084 67.4 156.0-113.0 32.4 15.3 21.6 22.5 132 175 A L + 0 0 1 42,-0.1 64,-0.1 3,-0.1 20,-0.1 -0.390 14.5 143.2 -64.8 130.8 16.9 18.8 20.4 133 176 A K > - 0 0 7 -2,-0.1 3,-1.8 1,-0.0 4,-0.1 -0.955 65.3 -88.4-159.6 168.9 20.5 19.8 19.3 134 177 A P G > S+ 0 0 10 0, 0.0 3,-2.0 0, 0.0 -41,-0.6 0.847 121.1 63.5 -57.0 -36.0 23.9 18.1 18.8 135 178 A E G 3 S+ 0 0 50 1,-0.3 -3,-0.1 35,-0.2 35,-0.0 0.732 99.9 56.2 -55.8 -26.6 24.9 18.7 22.5 136 179 A N G < S+ 0 0 4 -3,-1.8 15,-2.2 -5,-0.1 2,-0.6 0.278 88.3 86.0 -92.9 8.8 22.0 16.4 23.4 137 180 A L E < + H 0 150C 0 -3,-2.0 -44,-2.8 13,-0.2 2,-0.4 -0.915 59.1 179.8-115.1 104.9 23.2 13.5 21.4 138 181 A L E -GH 92 149C 35 11,-2.4 11,-3.6 -2,-0.6 2,-0.4 -0.830 27.8-126.8-106.4 139.4 25.7 11.4 23.3 139 182 A L E - H 0 148C 18 -48,-3.0 -49,-1.9 -2,-0.4 -48,-0.5 -0.730 20.3-134.7 -82.6 132.4 27.4 8.2 22.1 140 183 A E S S+ 0 0 59 7,-3.3 -51,-1.9 -2,-0.4 2,-0.3 0.861 78.0 0.4 -59.1 -41.9 26.9 5.4 24.6 141 184 A S S S- 0 0 37 -52,-0.2 5,-0.1 6,-0.2 -51,-0.1 -0.868 72.7-104.7-139.7 173.7 30.5 4.2 24.7 142 185 A K S S+ 0 0 182 -2,-0.3 4,-0.1 -53,-0.0 -2,-0.0 0.635 85.6 107.5 -72.7 -13.9 33.9 5.0 23.2 143 186 A S S S- 0 0 75 2,-0.1 3,-0.3 1,-0.0 -2,-0.2 0.034 78.7-106.2 -69.3 175.7 33.6 1.9 20.9 144 187 A K S S+ 0 0 106 1,-0.2 2,-1.5 2,-0.0 -3,-0.1 0.993 106.0 34.6 -71.1 -72.2 33.0 1.9 17.1 145 188 A D S S+ 0 0 101 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.635 88.9 153.1 -89.1 81.4 29.4 0.9 16.3 146 189 A A - 0 0 15 -2,-1.5 2,-0.1 -3,-0.3 -4,-0.0 -0.807 43.7-103.1-118.9 153.0 27.8 2.5 19.4 147 190 A N - 0 0 63 -2,-0.3 -7,-3.3 -8,-0.1 2,-0.4 -0.415 23.8-128.5 -77.5 143.0 24.3 3.8 20.1 148 191 A I E - H 0 139C 1 -9,-0.2 2,-0.5 -2,-0.1 -9,-0.2 -0.752 22.2-158.1 -83.7 136.1 23.3 7.4 20.3 149 192 A R E - H 0 138C 27 -11,-3.6 -11,-2.4 -2,-0.4 2,-0.4 -0.982 7.8-142.9-121.6 119.0 21.5 8.3 23.5 150 193 A I E -fH 68 137C 1 -83,-2.5 -81,-2.5 -2,-0.5 2,-0.3 -0.676 19.7-158.5 -84.1 129.0 19.3 11.4 23.5 151 194 A I + 0 0 29 -15,-2.2 -15,-0.0 -2,-0.4 -81,-0.0 -0.742 61.0 28.2-105.0 158.5 19.4 13.4 26.7 152 195 A D >> + 0 0 18 -2,-0.3 3,-1.5 1,-0.2 4,-0.5 0.493 67.7 161.4 76.7 13.3 16.9 15.9 28.3 153 196 A F T 34 + 0 0 13 1,-0.2 -1,-0.2 -3,-0.2 -24,-0.2 -0.357 69.9 13.6 -60.9 134.5 13.7 14.6 26.7 154 197 A G T 34 S+ 0 0 2 -26,-1.1 3,-0.3 1,-0.1 4,-0.2 0.197 99.2 98.3 90.8 -16.3 10.7 15.8 28.7 155 198 A L T X> S+ 0 0 17 -3,-1.5 3,-2.1 1,-0.2 4,-1.8 0.867 70.7 63.4 -76.2 -37.4 12.5 18.5 30.7 156 199 A S T 3< S+ 0 0 2 -4,-0.5 -1,-0.2 -27,-0.4 5,-0.2 0.755 97.6 60.6 -61.4 -26.8 11.6 21.6 28.6 157 200 A T T 34 S+ 0 0 48 -29,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.689 114.9 32.2 -69.2 -21.4 8.0 21.0 29.4 158 201 A H T <4 S+ 0 0 5 -3,-2.1 -111,-2.2 -4,-0.2 -110,-0.8 0.610 115.6 50.7-117.8 -13.6 8.6 21.4 33.2 159 202 A F B < S-E 46 0B 0 -4,-1.8 2,-0.5 -113,-0.3 -113,-0.2 -0.957 76.3-118.3-130.9 146.6 11.4 23.9 33.5 160 203 A E - 0 0 82 -115,-2.8 -115,-0.2 -2,-0.3 3,-0.1 -0.705 34.6-121.3 -82.8 122.2 12.1 27.4 32.1 161 204 A A - 0 0 44 -2,-0.5 -116,-0.1 -5,-0.2 -1,-0.1 -0.206 33.1 -97.7 -56.2 146.8 15.2 27.7 29.9 162 205 A S - 0 0 41 5,-0.1 -1,-0.1 1,-0.1 -118,-0.1 -0.365 19.8-156.0 -63.3 145.5 17.9 30.2 30.8 163 206 A K + 0 0 171 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.231 63.8 108.9-105.1 9.5 17.9 33.5 29.1 164 207 A K S > S- 0 0 122 1,-0.1 3,-1.9 2,-0.0 4,-0.4 -0.714 73.9-131.4 -86.6 139.0 21.6 33.9 29.8 165 208 A M G >> S+ 0 0 38 -2,-0.3 4,-1.6 1,-0.3 3,-0.8 0.764 103.4 66.2 -69.5 -27.8 23.8 33.6 26.7 166 209 A K G 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 131,-0.1 0.584 109.7 41.3 -65.8 -10.3 26.3 31.1 28.2 167 210 A D G <4 S+ 0 0 48 -3,-1.9 -1,-0.2 -148,-0.0 -2,-0.2 0.458 113.8 53.3-109.0 -7.1 23.2 28.8 28.3 168 211 A K T X> + 0 0 56 -3,-0.8 3,-1.3 -4,-0.4 4,-0.6 0.663 68.3 123.4-104.8 -21.7 21.9 29.7 24.8 169 212 A I T 3< S+ 0 0 9 -4,-1.6 242,-0.1 1,-0.3 241,-0.0 -0.197 86.8 10.2 -46.9 122.1 24.9 29.2 22.4 170 213 A G T 34 S+ 0 0 13 240,-0.1 -1,-0.3 -36,-0.0 -35,-0.2 0.826 102.3 97.3 74.9 32.8 23.9 26.8 19.7 171 214 A T T X> S+ 0 0 42 -3,-1.3 3,-1.6 2,-0.1 4,-1.2 0.684 71.5 63.1-108.6 -43.5 20.1 26.7 20.5 172 215 A A T 3< S+ 0 0 8 -4,-0.6 3,-0.1 1,-0.3 47,-0.1 0.791 95.7 60.3 -48.7 -37.7 18.9 29.2 17.9 173 216 A Y T 34 S+ 0 0 9 1,-0.2 34,-0.3 33,-0.0 -1,-0.3 0.796 112.7 36.6 -63.3 -27.7 20.0 27.1 14.9 174 217 A Y T <4 S+ 0 0 8 -3,-1.6 -1,-0.2 2,-0.1 21,-0.2 0.602 85.3 110.9-106.9 -18.7 17.8 24.1 15.9 175 218 A I < - 0 0 35 -4,-1.2 -44,-0.1 -3,-0.1 14,-0.0 -0.310 68.1-119.3 -66.5 140.2 14.5 25.6 17.3 176 219 A A >> - 0 0 0 -46,-0.3 3,-1.6 1,-0.1 4,-1.2 -0.610 18.8-123.6 -82.3 139.8 11.4 25.2 15.3 177 220 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.841 109.8 59.1 -53.0 -36.7 9.7 28.4 14.1 178 221 A E H 3> S+ 0 0 16 1,-0.2 4,-0.9 2,-0.2 5,-0.5 0.751 99.8 57.1 -67.8 -25.0 6.4 27.4 15.8 179 222 A V H <4 S+ 0 0 18 -3,-1.6 3,-0.4 2,-0.2 -1,-0.2 0.894 101.9 56.4 -68.1 -40.4 8.1 27.2 19.2 180 223 A L H < S+ 0 0 65 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.856 111.8 43.4 -53.9 -38.2 9.2 30.8 18.8 181 224 A H H < S- 0 0 113 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.547 114.7-110.3 -94.4 -12.8 5.5 31.8 18.3 182 225 A G S < S+ 0 0 51 -4,-0.9 2,-0.7 -3,-0.4 -3,-0.1 0.021 87.2 91.9 117.4 -29.8 3.9 29.8 21.1 183 226 A T + 0 0 130 -5,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.882 53.8 141.7-104.9 105.4 1.8 27.0 19.5 184 227 A Y + 0 0 74 -2,-0.7 2,-0.2 -5,-0.1 -5,-0.0 -0.948 22.8 177.1-143.9 159.5 3.8 23.9 19.1 185 228 A D > - 0 0 71 -2,-0.3 3,-2.3 -55,-0.0 4,-0.3 -0.719 59.5 -56.6-142.5-167.1 3.7 20.1 19.4 186 229 A E T >> S+ 0 0 80 1,-0.3 3,-1.6 -2,-0.2 4,-0.6 0.706 118.1 77.8 -53.8 -23.6 5.8 17.0 18.9 187 230 A K H >> S+ 0 0 30 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.745 76.8 75.0 -62.2 -20.3 6.4 18.0 15.2 188 231 A C H <> S+ 0 0 0 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.831 90.4 57.0 -61.2 -29.7 9.0 20.6 16.6 189 232 A D H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.840 102.3 53.8 -68.9 -33.5 11.4 17.6 17.2 190 233 A V H S- 0 0 46 199,-0.1 4,-1.6 200,-0.1 199,-0.1 -0.896 89.6 -80.3-159.5 177.2 24.2 36.8 16.1 212 255 A E H > S+ 0 0 36 197,-0.4 4,-2.3 -2,-0.3 3,-0.2 0.918 123.4 49.2 -61.5 -46.5 21.4 35.1 17.9 213 256 A Y H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 109.3 52.8 -63.8 -39.1 18.6 37.4 16.7 214 257 A D H > S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.833 108.8 51.0 -61.7 -34.0 19.7 37.1 13.1 215 258 A I H X S+ 0 0 9 -4,-1.6 4,-2.0 -3,-0.2 3,-0.3 0.968 111.0 46.8 -67.5 -50.6 19.6 33.4 13.4 216 259 A L H X S+ 0 0 31 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.805 108.3 57.3 -61.2 -33.0 16.0 33.4 14.8 217 260 A K H X S+ 0 0 97 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.918 108.2 46.3 -63.9 -43.1 15.0 35.9 12.1 218 261 A K H X>S+ 0 0 99 -4,-1.7 4,-1.4 -3,-0.3 5,-0.6 0.890 113.6 48.8 -64.2 -41.7 16.1 33.4 9.4 219 262 A V H <5S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.919 108.5 52.8 -63.7 -47.5 14.3 30.5 11.2 220 263 A E H <5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.886 110.0 47.7 -58.7 -43.5 11.1 32.4 11.6 221 264 A K H <5S- 0 0 142 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.801 99.6-151.5 -63.9 -32.2 11.1 33.2 7.8 222 265 A G T <5 + 0 0 11 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.513 42.9 137.3 78.6 6.8 11.8 29.5 7.3 223 266 A K < + 0 0 124 -5,-0.6 2,-0.3 25,-0.0 -1,-0.2 -0.758 17.0 149.5 -98.5 130.4 13.7 29.8 4.0 224 267 A Y - 0 0 48 -2,-0.4 2,-0.3 -17,-0.1 -17,-0.1 -0.882 23.5-147.1-143.9 173.3 16.9 27.8 3.2 225 268 A T - 0 0 84 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.911 24.5-136.4-142.2 168.8 18.6 26.4 0.2 226 269 A F + 0 0 34 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.119 69.5 117.9-110.9 31.0 20.8 23.6 -1.0 227 270 A E + 0 0 80 4,-0.1 5,-0.1 3,-0.1 -1,-0.1 0.871 36.1 109.5 -69.6 -40.6 22.9 26.0 -3.1 228 271 A L S > S- 0 0 58 -3,-0.2 3,-2.5 1,-0.1 4,-0.4 -0.036 80.7-117.6 -43.9 135.2 26.3 25.4 -1.3 229 272 A P G > S+ 0 0 111 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.736 109.2 65.4 -53.6 -29.1 28.7 23.6 -3.6 230 273 A Q G > S+ 0 0 21 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.614 85.9 71.2 -73.5 -13.2 28.9 20.5 -1.3 231 274 A W G X S+ 0 0 1 -3,-2.5 3,-1.5 1,-0.2 -1,-0.3 0.760 79.6 76.9 -68.0 -26.0 25.2 19.7 -1.9 232 275 A K G < S+ 0 0 89 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.673 95.7 49.5 -54.6 -19.4 26.2 18.7 -5.4 233 276 A K G < S+ 0 0 149 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.3 0.537 92.6 91.0 -97.6 -12.2 27.5 15.5 -3.7 234 277 A V S < S- 0 0 9 -3,-1.5 5,-0.0 -4,-0.2 -33,-0.0 -0.712 82.2-108.5 -89.0 138.4 24.4 14.6 -1.6 235 278 A S > - 0 0 22 -2,-0.4 4,-1.4 1,-0.1 5,-0.1 -0.094 21.5-121.1 -53.9 156.8 21.7 12.4 -3.0 236 279 A E H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.836 111.4 59.1 -69.7 -34.9 18.3 13.8 -4.0 237 280 A S H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.814 103.5 52.6 -67.5 -31.3 16.4 11.6 -1.6 238 281 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 111.3 45.3 -65.1 -48.0 18.4 13.1 1.3 239 282 A K H X S+ 0 0 35 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.882 111.0 55.6 -61.2 -37.8 17.4 16.6 0.1 240 283 A D H X S+ 0 0 51 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.909 108.5 45.9 -63.2 -43.4 13.9 15.3 -0.2 241 284 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 3,-0.4 0.940 110.6 53.1 -64.8 -47.1 13.8 14.1 3.4 242 285 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.926 106.9 53.9 -52.1 -47.2 15.3 17.4 4.6 243 286 A R H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 109.0 47.8 -56.2 -38.6 12.6 19.2 2.8 244 287 A K H >< S+ 0 0 79 -4,-1.4 10,-1.6 -3,-0.4 3,-0.6 0.818 114.3 45.5 -74.6 -31.7 9.8 17.2 4.5 245 288 A M H 3< S+ 0 0 0 -4,-1.9 -51,-0.2 -3,-0.3 -2,-0.2 0.789 113.7 48.9 -82.0 -32.3 11.3 17.7 8.0 246 289 A L T 3< S+ 0 0 6 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 -0.050 79.2 138.5 -95.7 29.7 11.9 21.4 7.5 247 290 A T < - 0 0 41 -3,-0.6 6,-0.2 1,-0.1 -56,-0.1 -0.650 52.9-137.8 -76.2 131.6 8.4 22.0 6.2 248 291 A Y S S+ 0 0 88 -2,-0.4 -70,-0.2 -26,-0.1 -1,-0.1 0.920 84.9 62.5 -63.3 -53.9 7.1 25.2 7.7 249 292 A V S >> S- 0 0 79 1,-0.1 3,-1.6 2,-0.0 4,-0.8 -0.648 79.3-143.1 -80.1 119.4 3.5 24.4 8.7 250 293 A P T 34 S+ 0 0 29 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.782 97.0 56.7 -58.8 -32.6 3.8 21.5 11.3 251 294 A S T 34 S+ 0 0 86 1,-0.2 4,-0.1 -3,-0.0 -2,-0.0 0.752 110.6 46.3 -68.6 -21.9 0.6 19.6 10.2 252 295 A M T <4 S+ 0 0 131 -3,-1.6 -1,-0.2 2,-0.1 2,-0.2 0.563 94.6 100.6 -93.9 -9.1 2.3 19.4 6.7 253 296 A R S < S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.5 -9,-0.1 -0.543 83.7-104.1 -79.3 139.1 5.6 18.3 8.2 254 297 A I - 0 0 26 -10,-1.6 2,-0.1 -2,-0.2 -1,-0.1 -0.234 37.0-118.2 -59.3 146.1 6.5 14.7 8.1 255 298 A S > - 0 0 33 1,-0.1 4,-2.0 -4,-0.1 5,-0.1 -0.426 20.0-111.9 -79.0 162.6 6.2 12.7 11.3 256 299 A A H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -136,-0.1 0.929 119.3 48.0 -54.1 -53.0 9.1 11.0 13.1 257 300 A R H > S+ 0 0 125 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.903 112.0 48.8 -61.7 -43.8 7.6 7.6 12.4 258 301 A D H 4 S+ 0 0 88 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.825 104.8 58.9 -67.9 -30.6 7.0 8.4 8.7 259 302 A A H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 6,-0.4 0.863 99.3 58.5 -66.8 -36.2 10.6 9.8 8.3 260 303 A L H 3< S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 107.0 48.5 -57.4 -32.5 11.9 6.3 9.4 261 304 A D T 3< S+ 0 0 86 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.462 86.7 123.3 -86.2 -3.0 10.0 4.9 6.4 262 305 A H S X> S- 0 0 16 -3,-1.2 4,-2.4 -4,-0.3 3,-0.5 -0.325 74.8-116.2 -64.9 144.4 11.4 7.5 4.1 263 306 A E H 3> S+ 0 0 125 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.749 111.6 55.5 -44.7 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2,-0.2 -2,-0.2 0.868 115.3 44.5 -63.8 -40.8 32.1 26.5 58.5 335 383 A G H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.803 115.0 48.2 -73.0 -34.1 32.8 29.8 56.6 336 384 A Y H X S+ 0 0 10 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.882 113.9 46.7 -69.7 -41.9 33.2 27.8 53.4 337 385 A K H < S+ 0 0 68 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.895 111.2 52.9 -61.3 -42.6 29.9 25.9 54.2 338 386 A E H >< S+ 0 0 105 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.820 100.0 61.3 -62.0 -34.5 28.4 29.4 54.9 339 387 A L H 3< S+ 0 0 11 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.928 104.5 48.4 -57.9 -43.8 29.6 30.5 51.5 340 388 A M T 3< 0 0 40 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.571 360.0 360.0 -71.4 -9.9 27.3 27.9 50.1 341 389 A R < 0 0 228 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 -0.471 360.0 360.0 69.2 360.0 24.6 29.2 52.4 342 ! 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 0.0 343 394 A D 0 0 86 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.9 28.1 24.2 44.5 344 395 A A + 0 0 24 1,-0.2 3,-0.1 -306,-0.0 -321,-0.1 0.924 360.0 42.8 -59.2 -46.0 27.4 21.3 42.2 345 396 A S S S+ 0 0 66 1,-0.2 2,-1.8 2,-0.1 3,-0.2 0.818 101.1 73.0 -65.5 -33.6 30.4 19.4 43.5 346 397 A M + 0 0 30 1,-0.2 -1,-0.2 5,-0.1 6,-0.1 -0.445 55.5 152.5 -91.0 65.5 29.8 20.3 47.1 347 398 A L + 0 0 32 -2,-1.8 2,-0.3 -3,-0.1 -1,-0.2 0.701 65.5 2.8 -72.5 -23.1 26.8 18.0 47.6 348 399 A D S > S- 0 0 41 -3,-0.2 4,-1.3 -338,-0.0 3,-0.4 -0.878 85.6 -86.4-150.1 179.3 27.3 17.5 51.3 349 400 A A H > S+ 0 0 42 -2,-0.3 4,-1.5 1,-0.2 -12,-0.0 0.800 124.7 57.0 -62.2 -31.3 29.4 18.6 54.3 350 401 A S H > S+ 0 0 79 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.799 100.7 56.9 -69.8 -32.1 31.9 15.8 53.4 351 402 A A H > S+ 0 0 25 -3,-0.4 4,-1.7 1,-0.2 3,-0.3 0.927 107.5 47.9 -64.1 -45.7 32.4 17.2 49.9 352 403 A V H X S+ 0 0 5 -4,-1.3 4,-3.2 1,-0.2 5,-0.2 0.869 104.0 59.4 -65.0 -41.6 33.5 20.6 51.3 353 404 A E H X S+ 0 0 69 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.845 106.2 49.4 -57.0 -37.7 35.9 19.1 53.8 354 405 A H H X S+ 0 0 116 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.945 112.0 47.1 -65.4 -49.6 37.8 17.5 50.9 355 406 A E H X S+ 0 0 46 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.896 113.5 48.5 -59.1 -44.4 37.9 20.8 49.0 356 407 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.917 113.3 48.0 -58.9 -44.7 39.1 22.6 52.1 357 408 A D H X S+ 0 0 49 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.821 108.2 54.5 -69.9 -32.5 41.7 19.9 52.7 358 409 A Q H < S+ 0 0 81 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.916 108.9 48.5 -62.5 -44.7 42.9 20.1 49.1 359 410 A V H < S+ 0 0 15 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.929 113.2 46.7 -63.3 -46.4 43.4 23.9 49.4 360 411 A L H < 0 0 85 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.924 360.0 360.0 -58.8 -44.3 45.4 23.4 52.6 361 412 A D < 0 0 165 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.957 360.0 360.0 -80.7 360.0 47.4 20.6 51.0 362 ! 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 0.0 363 422 A I 0 0 92 0, 0.0 -36,-2.3 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0-145.2 46.7 29.6 59.4 364 423 A E >> - 0 0 17 -38,-0.2 3,-2.5 1,-0.2 4,-1.4 -0.503 360.0-158.6 -83.6 108.0 46.1 32.9 57.5 365 424 A Y H 3> S+ 0 0 28 -2,-0.7 4,-2.2 -40,-0.4 -1,-0.2 0.775 89.8 62.8 -56.8 -34.0 42.6 33.0 56.0 366 425 A S H 3> S+ 0 0 67 -41,-0.5 4,-1.3 2,-0.2 -1,-0.3 0.769 105.2 47.4 -59.0 -29.4 43.6 35.6 53.4 367 426 A E H <> S+ 0 0 128 -3,-2.5 4,-2.2 2,-0.2 5,-0.2 0.921 109.3 51.9 -78.8 -47.0 46.0 33.1 51.9 368 427 A F H X S+ 0 0 13 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.861 107.9 54.6 -51.2 -41.8 43.5 30.3 51.8 369 428 A V H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 5,-0.3 0.949 107.9 47.6 -62.0 -51.1 41.0 32.6 50.0 370 429 A T H >X S+ 0 0 68 -4,-1.3 4,-4.1 1,-0.2 3,-0.6 0.970 117.1 41.8 -51.6 -60.5 43.5 33.4 47.2 371 430 A V H 3X S+ 0 0 65 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.878 110.7 55.8 -58.4 -44.9 44.5 29.8 46.6 372 431 A A H 3X S+ 0 0 0 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.819 123.2 27.8 -60.1 -33.3 40.9 28.4 46.9 373 432 A M H < + 0 0 9 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.2 -0.471 66.9 167.4 -74.5 73.8 43.6 27.8 15.9 393 452 A S T 3 + 0 0 105 -2,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.716 68.6 52.0 -71.7 -24.2 43.8 24.7 13.6 394 453 A D T 3 S- 0 0 123 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.278 107.9-123.0 -91.7 10.6 46.8 25.8 11.5 395 454 A N < + 0 0 138 -3,-1.4 -2,-0.1 -6,-0.3 -3,-0.1 0.807 65.5 141.3 54.6 36.9 48.8 26.4 14.7 396 455 A S - 0 0 67 2,-0.2 -1,-0.1 1,-0.0 3,-0.1 0.694 60.7-130.9 -77.1 -20.5 49.5 30.1 13.8 397 456 A G S S+ 0 0 22 1,-0.3 38,-0.5 -5,-0.2 2,-0.3 0.408 74.8 92.3 82.7 -1.1 49.0 31.2 17.4 398 457 A K - 0 0 69 36,-0.2 2,-0.4 37,-0.1 -1,-0.3 -0.790 60.9-150.3-121.1 160.3 46.6 33.9 16.3 399 458 A I E -I 433 0D 0 34,-2.2 34,-2.4 -2,-0.3 2,-0.1 -0.996 29.3-135.1-124.5 130.3 42.9 34.5 15.7 400 459 A S E > -I 432 0D 40 -2,-0.4 4,-2.6 32,-0.2 32,-0.2 -0.292 23.1-103.6 -81.1 169.1 42.1 37.1 13.0 401 460 A S H > S+ 0 0 42 30,-1.8 4,-2.2 2,-0.2 5,-0.2 0.899 121.5 52.2 -55.3 -47.3 39.6 40.0 13.1 402 461 A T H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.925 111.4 47.8 -56.4 -46.3 37.1 38.1 10.9 403 462 A E H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.912 108.4 53.3 -64.5 -43.5 37.3 35.1 13.2 404 463 A L H X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.905 107.9 52.3 -55.4 -43.0 36.9 37.3 16.3 405 464 A A H X S+ 0 0 41 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.858 111.3 45.5 -62.2 -41.7 33.7 38.7 14.7 406 465 A T H X S+ 0 0 76 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.938 116.8 46.9 -64.0 -46.7 32.3 35.2 14.1 407 466 A I H X S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.907 116.3 41.7 -62.8 -47.1 33.3 34.2 17.6 408 467 A F H <>S+ 0 0 0 -4,-3.6 5,-2.5 2,-0.2 4,-0.3 0.838 110.9 57.6 -74.0 -34.0 31.9 37.2 19.3 409 468 A G H ><5S+ 0 0 10 -4,-2.0 3,-0.9 -5,-0.3 -197,-0.4 0.909 108.3 45.8 -55.8 -47.7 28.8 37.1 17.2 410 469 A V H 3<5S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 114.5 50.2 -62.2 -32.3 28.1 33.6 18.4 411 470 A S T 3<5S- 0 0 3 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.440 111.7-124.5 -84.8 -4.5 28.8 34.9 21.9 412 471 A D T < 5 + 0 0 82 -3,-0.9 2,-0.7 -4,-0.3 -3,-0.2 0.858 56.6 150.6 60.8 39.5 26.4 37.9 21.5 413 472 A V < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.1 5,-0.1 -0.925 54.2-110.5-101.0 112.1 29.0 40.5 22.2 414 473 A D > - 0 0 89 -2,-0.7 4,-1.9 1,-0.1 5,-0.2 -0.035 20.8-126.5 -39.6 136.3 28.1 43.7 20.3 415 474 A S H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.869 109.0 49.1 -63.1 -41.7 30.6 44.5 17.5 416 475 A E H > S+ 0 0 160 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 109.7 55.5 -62.4 -36.6 31.3 48.1 18.6 417 476 A T H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.920 112.7 37.0 -67.7 -44.9 31.9 46.8 22.1 418 477 A W H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.910 114.6 53.7 -79.1 -39.4 34.6 44.2 21.3 419 478 A K H X S+ 0 0 99 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.895 110.3 50.3 -53.6 -43.0 36.3 46.2 18.6 420 479 A S H X S+ 0 0 77 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.894 110.1 49.4 -60.9 -43.2 36.5 49.0 21.3 421 480 A V H X S+ 0 0 14 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.894 107.4 55.3 -63.4 -39.9 38.0 46.4 23.7 422 481 A L H X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.910 105.0 52.5 -57.8 -45.5 40.6 45.3 21.1 423 482 A S H < S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 108.1 50.5 -61.4 -39.0 41.9 48.9 20.6 424 483 A E H < S+ 0 0 136 -4,-1.4 -1,-0.2 -5,-0.1 3,-0.2 0.830 112.5 47.6 -69.7 -33.8 42.4 49.4 24.3 425 484 A V H < S+ 0 0 28 -4,-1.6 2,-0.5 1,-0.3 -2,-0.2 0.992 128.5 11.0 -70.6 -66.2 44.4 46.1 24.6 426 485 A D < - 0 0 54 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 -0.958 61.7-169.9-121.0 117.2 46.8 46.5 21.7 427 486 A K S S+ 0 0 81 -2,-0.5 3,-0.2 -3,-0.2 -1,-0.2 0.994 90.1 34.5 -63.7 -64.9 47.1 49.8 19.8 428 487 A N S S+ 0 0 143 1,-0.2 2,-2.8 2,-0.1 3,-0.2 0.899 82.6 154.7 -65.4 -45.8 49.2 48.8 16.7 429 488 A N > - 0 0 22 1,-0.2 3,-0.9 -7,-0.1 -1,-0.2 -0.173 43.3-140.7 71.1 -61.8 47.5 45.4 16.7 430 489 A D T 3 - 0 0 135 -2,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.722 58.0 -76.6 68.7 23.2 47.8 44.4 13.0 431 490 A G T 3 S+ 0 0 32 -3,-0.2 -30,-1.8 1,-0.1 2,-0.3 0.504 110.0 85.1 71.5 6.8 44.3 42.8 12.9 432 491 A E E < -I 400 0D 81 -3,-0.9 2,-0.4 -32,-0.2 -32,-0.2 -0.976 58.4-152.4-138.2 153.9 45.1 39.6 14.8 433 492 A V E -I 399 0D 0 -34,-2.4 -34,-2.2 -2,-0.3 2,-0.1 -0.954 7.5-144.7-126.0 141.5 45.3 38.6 18.4 434 493 A D > - 0 0 57 -2,-0.4 4,-2.4 -36,-0.2 -36,-0.2 -0.292 44.2 -87.0 -90.2-175.8 47.4 36.0 20.2 435 494 A F H > S+ 0 0 12 -38,-0.5 4,-2.8 1,-0.2 5,-0.2 0.916 126.5 50.0 -66.3 -44.5 46.1 34.0 23.1 436 495 A D H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 112.7 49.8 -62.3 -32.9 47.1 36.5 25.9 437 496 A E H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.943 109.4 50.3 -69.1 -46.6 45.5 39.3 23.9 438 497 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.952 112.1 47.8 -53.3 -53.1 42.3 37.3 23.5 439 498 A Q H X S+ 0 0 14 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.900 110.4 51.8 -55.6 -46.9 42.2 36.6 27.2 440 499 A Q H X S+ 0 0 65 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.887 107.3 53.7 -56.4 -41.7 42.9 40.3 28.0 441 500 A M H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.926 109.0 48.6 -59.5 -44.9 39.9 41.2 25.7 442 501 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 107.4 54.7 -65.4 -33.8 37.6 38.9 27.6 443 502 A L H ><>S+ 0 0 42 -4,-1.9 5,-1.6 1,-0.2 3,-1.4 0.922 109.0 48.4 -64.6 -41.0 38.8 40.4 31.0 444 503 A K H ><5S+ 0 0 70 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.676 104.2 61.5 -73.9 -17.1 37.8 43.8 29.7 445 504 A L T 3<5S+ 0 0 36 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.405 106.6 45.5 -85.7 -0.7 34.5 42.4 28.6 446 505 A C T < 5S- 0 0 13 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.192 128.7 -89.9-131.1 43.9 33.7 41.5 32.2 447 506 A G T < 5 0 0 65 -3,-0.7 -3,-0.2 1,-0.1 -2,-0.1 0.813 360.0 360.0 57.6 42.9 34.7 44.8 33.8 448 507 A N < 0 0 82 -5,-1.6 -4,-0.2 -8,-0.1 -3,-0.1 -0.219 360.0 360.0-137.7 360.0 38.4 44.0 34.5