==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-JUN-10 3NCG . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR E.T.LARSON,E.A.MERRITT,MEDICAL STRUCTURAL GENOMICS OF PATHOG . 426 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 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 0.5 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 38.0 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 3 0 2 1 2 0 2 1 2 0 2 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 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 . 3 0 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 . 0 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 -3 A L > 0 0 101 0, 0.0 3,-0.9 0, 0.0 408,-0.0 0.000 360.0 360.0 360.0 28.0 50.4 26.8 9.6 2 -2 A Y T 3 + 0 0 200 1,-0.3 2,-0.7 3,-0.0 0, 0.0 0.927 360.0 49.2 -64.3 -53.7 49.9 28.4 6.2 3 -1 A F T 3 S+ 0 0 185 2,-0.0 2,-0.4 1,-0.0 -1,-0.3 -0.109 93.9 99.2 -82.6 39.3 50.1 25.4 3.8 4 0 A Q < - 0 0 114 -3,-0.9 2,-0.1 -2,-0.7 3,-0.0 -0.967 56.7-154.2-133.0 121.2 47.6 23.4 5.9 5 70 A G > - 0 0 37 -2,-0.4 4,-0.5 1,-0.1 74,-0.1 -0.418 21.8-131.7 -73.1 160.6 43.9 22.8 5.3 6 71 A T T 4 S+ 0 0 87 72,-0.4 4,-0.5 2,-0.1 -1,-0.1 0.885 108.0 27.8 -81.1 -43.0 41.8 22.0 8.4 7 72 A F T >> S+ 0 0 10 71,-0.2 4,-3.0 2,-0.2 3,-1.7 0.959 123.1 50.7 -79.0 -58.3 40.1 19.0 6.7 8 73 A A T 34 S+ 0 0 54 1,-0.3 -2,-0.1 2,-0.2 -1,-0.1 0.793 108.0 54.5 -47.2 -35.9 42.9 18.2 4.3 9 74 A E T 3< S+ 0 0 60 -4,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.790 120.1 30.7 -73.4 -25.1 45.5 18.2 7.2 10 75 A R T <4 S+ 0 0 18 -3,-1.7 21,-3.0 -4,-0.5 2,-0.4 0.788 117.5 43.2-105.2 -38.0 43.5 15.7 9.2 11 76 A Y E < -A 30 0A 2 -4,-3.0 2,-0.4 19,-0.3 19,-0.2 -0.942 56.7-152.0-122.4 139.5 41.6 13.4 6.8 12 77 A N E -A 29 0A 65 17,-2.6 17,-2.5 -2,-0.4 2,-0.5 -0.845 27.0-123.6 -96.3 139.0 42.3 11.6 3.6 13 78 A I E +A 28 0A 76 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.713 28.4 178.8 -81.5 125.0 39.5 10.9 1.2 14 79 A V E - 0 0 54 13,-2.9 2,-0.3 -2,-0.5 14,-0.2 0.877 56.7 -46.6 -88.7 -51.1 39.2 7.2 0.4 15 80 A C E -A 27 0A 53 12,-1.5 12,-3.5 0, 0.0 -1,-0.3 -0.987 57.8 -79.2-172.5 166.1 36.2 7.1 -1.9 16 81 A M E +A 26 0A 89 -2,-0.3 10,-0.2 10,-0.3 3,-0.1 -0.534 31.4 177.5 -77.2 145.5 32.7 8.3 -2.7 17 82 A L E - 0 0 93 8,-2.3 2,-0.3 1,-0.4 9,-0.2 0.678 58.8 -36.9-112.6 -48.5 29.8 6.5 -0.9 18 83 A G E -A 25 0A 29 7,-1.9 7,-3.9 0, 0.0 2,-0.8 -0.990 53.2 -92.7-168.7 169.7 26.8 8.4 -2.2 19 84 A K E -A 24 0A 138 -2,-0.3 5,-0.2 5,-0.3 3,-0.1 -0.867 52.2-173.6 -93.4 103.8 25.1 11.6 -3.2 20 85 A G E > -A 23 0A 23 3,-1.3 3,-0.7 -2,-0.8 2,-0.4 -0.115 37.7 -62.5 -86.5-173.0 23.5 12.9 -0.0 21 86 A S T 3 S+ 0 0 24 1,-0.2 -1,-0.2 142,-0.1 133,-0.1 -0.630 122.2 3.2 -70.5 128.0 21.1 15.8 0.7 22 87 A F T 3 S- 0 0 31 -2,-0.4 21,-0.3 -3,-0.1 2,-0.3 0.329 135.9 -13.0 80.4 -3.1 22.8 19.1 -0.2 23 88 A G E < S-A 20 0A 5 -3,-0.7 -3,-1.3 19,-0.2 19,-0.2 -0.965 90.1 -45.8 160.1-178.2 26.0 17.4 -1.4 24 89 A E E -AB 19 41A 76 17,-1.0 17,-2.8 -2,-0.3 2,-0.4 -0.420 38.2-143.8 -82.9 151.6 28.1 14.3 -1.8 25 90 A V E -AB 18 40A 34 -7,-3.9 -8,-2.3 15,-0.3 -7,-1.9 -0.965 24.4-178.0-113.6 134.8 28.9 11.9 1.0 26 91 A L E -AB 16 39A 19 13,-3.5 13,-2.8 -2,-0.4 2,-0.5 -0.878 30.4-115.5-129.9 159.3 32.4 10.3 1.1 27 92 A K E +AB 15 38A 55 -12,-3.5 -13,-2.9 -2,-0.3 -12,-1.5 -0.844 41.7 173.0 -90.4 126.7 34.4 7.8 3.0 28 93 A C E -AB 13 37A 0 9,-3.0 9,-3.3 -2,-0.5 2,-0.4 -0.908 18.9-148.2-132.2 162.4 37.4 9.5 4.7 29 94 A K E -AB 12 36A 63 -17,-2.5 -17,-2.6 -2,-0.3 2,-0.4 -0.983 25.4-111.2-133.6 140.8 40.0 8.3 7.1 30 95 A D E > -A 11 0A 0 5,-2.3 4,-2.3 -2,-0.4 -19,-0.3 -0.602 24.5-139.3 -73.2 127.9 41.9 10.2 9.8 31 96 A R T 4 S+ 0 0 115 -21,-3.0 -1,-0.1 -2,-0.4 -20,-0.1 0.605 98.1 32.8 -69.6 -14.7 45.6 10.4 8.8 32 97 A I T 4 S+ 0 0 38 -22,-0.4 -1,-0.2 3,-0.1 364,-0.1 0.793 126.7 34.3-102.8 -47.9 46.8 9.7 12.3 33 98 A T T 4 S- 0 0 14 2,-0.1 -2,-0.2 362,-0.1 3,-0.1 0.693 86.9-141.4 -86.2 -18.7 44.3 7.3 13.9 34 99 A Q < + 0 0 125 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.364 52.8 143.4 69.4 -1.9 43.4 5.4 10.7 35 100 A Q - 0 0 27 -6,-0.1 -5,-2.3 1,-0.1 -1,-0.3 -0.476 47.2-129.3 -70.3 133.4 39.8 5.4 11.9 36 101 A E E +B 29 0A 80 -7,-0.2 53,-0.4 -2,-0.2 2,-0.3 -0.590 29.3 175.6 -94.0 150.6 37.3 5.8 9.1 37 102 A Y E -B 28 0A 6 -9,-3.3 -9,-3.0 -2,-0.2 2,-0.4 -0.932 30.3-113.5-145.2 158.7 34.4 8.3 8.9 38 103 A A E -BC 27 87A 11 49,-2.6 49,-3.7 -2,-0.3 2,-0.4 -0.824 31.1-167.6 -96.3 143.2 31.7 9.5 6.6 39 104 A V E -BC 26 86A 1 -13,-2.8 -13,-3.5 -2,-0.4 2,-0.6 -0.997 13.3-152.6-135.2 129.0 31.9 13.1 5.3 40 105 A K E -BC 25 85A 29 45,-2.3 45,-2.7 -2,-0.4 2,-0.5 -0.921 14.7-154.7-101.4 123.9 29.3 15.2 3.5 41 106 A V E -BC 24 84A 29 -17,-2.8 -17,-1.0 -2,-0.6 2,-0.5 -0.891 11.5-172.1-104.1 124.8 30.8 17.8 1.2 42 107 A I E - C 0 83A 0 41,-2.2 41,-2.0 -2,-0.5 2,-0.3 -0.961 23.9-125.1-126.4 116.8 28.6 20.9 0.5 43 108 A N E > - C 0 82A 71 -2,-0.5 4,-2.7 -21,-0.3 5,-0.5 -0.414 15.6-154.8 -67.0 121.3 29.5 23.6 -2.0 44 109 A K H > S+ 0 0 33 37,-2.8 4,-1.7 -2,-0.3 -1,-0.1 0.943 89.6 48.6 -58.9 -53.3 29.5 27.0 -0.3 45 110 A A H 4 S+ 0 0 96 36,-0.5 -1,-0.2 1,-0.2 37,-0.1 0.934 123.8 29.9 -57.3 -47.9 28.8 29.1 -3.4 46 111 A S H 4 S+ 0 0 91 1,-0.1 -1,-0.2 115,-0.0 -2,-0.2 0.869 126.7 36.2 -81.7 -42.4 25.9 27.0 -4.6 47 112 A A H < S+ 0 0 6 -4,-2.7 115,-1.8 114,-0.1 -3,-0.2 0.718 81.6 114.4 -92.7 -24.3 24.3 25.5 -1.4 48 113 A K B < +E 161 0B 68 -4,-1.7 113,-0.2 -5,-0.5 3,-0.1 -0.268 23.4 161.0 -53.7 124.6 24.6 28.3 1.2 49 114 A N + 0 0 84 111,-3.0 2,-0.3 2,-0.1 112,-0.2 0.477 67.5 32.5-114.8 -15.9 21.3 29.7 2.2 50 115 A K S S- 0 0 80 110,-1.1 2,-0.1 1,-0.0 -1,-0.1 -0.813 96.5 -81.7-127.3 171.9 22.5 31.3 5.5 51 116 A D >> - 0 0 110 -2,-0.3 4,-2.2 1,-0.1 3,-0.8 -0.428 42.5-112.6 -68.4 152.0 25.6 33.0 6.7 52 117 A T H 3> S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.802 117.1 61.5 -54.5 -34.7 28.4 30.8 7.9 53 118 A S H 3> S+ 0 0 86 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.887 108.5 42.2 -61.8 -38.5 27.9 32.1 11.5 54 119 A T H <> S+ 0 0 31 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.906 114.2 51.7 -72.7 -43.7 24.3 30.7 11.4 55 120 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.906 110.9 46.3 -60.7 -46.6 25.4 27.4 9.7 56 121 A L H X S+ 0 0 59 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.771 113.6 51.2 -66.0 -28.8 28.2 26.7 12.3 57 122 A R H X S+ 0 0 139 -4,-1.0 4,-1.4 -5,-0.2 -2,-0.2 0.921 111.8 45.7 -71.5 -47.1 25.7 27.6 15.1 58 123 A E H X S+ 0 0 43 -4,-2.8 4,-1.8 1,-0.2 3,-0.4 0.946 113.8 48.3 -61.4 -49.6 23.1 25.2 13.8 59 124 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.809 102.8 62.9 -65.0 -30.3 25.5 22.4 13.2 60 125 A E H X S+ 0 0 68 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.918 104.7 46.6 -62.5 -42.9 27.0 22.8 16.7 61 126 A L H < S+ 0 0 106 -4,-1.4 4,-0.4 -3,-0.4 -1,-0.2 0.916 110.7 52.8 -62.1 -44.1 23.6 21.9 18.2 62 127 A L H >< S+ 0 0 12 -4,-1.8 3,-1.2 1,-0.2 11,-0.4 0.906 107.0 53.2 -58.7 -39.9 23.4 18.9 15.8 63 128 A K H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 104.3 55.9 -60.6 -37.7 26.9 17.8 17.0 64 129 A K T 3< S+ 0 0 133 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.485 78.5 112.2 -77.9 -2.2 25.7 17.9 20.7 65 130 A L < - 0 0 12 -3,-1.2 2,-0.5 -4,-0.4 8,-0.2 -0.640 48.9-172.9 -72.1 121.0 22.8 15.5 19.9 66 131 A D + 0 0 16 -2,-0.5 312,-0.3 6,-0.1 5,-0.1 -0.882 26.7 126.9-123.7 96.3 23.8 12.3 21.8 67 132 A H > - 0 0 10 -2,-0.5 3,-1.8 3,-0.3 263,-0.1 -0.977 58.5-129.8-152.8 134.9 21.5 9.3 21.0 68 133 A P T 3 S+ 0 0 15 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.743 109.3 46.2 -58.2 -26.5 22.1 5.8 19.9 69 134 A N T 3 S+ 0 0 9 82,-0.1 83,-2.7 47,-0.1 2,-0.4 0.201 99.8 79.4-102.0 12.4 19.5 6.0 17.1 70 135 A I B < S-f 152 0C 3 -3,-1.8 -3,-0.3 81,-0.3 83,-0.2 -0.958 90.8-102.1-121.9 138.8 20.6 9.4 15.7 71 136 A M - 0 0 41 81,-2.8 2,-0.6 -2,-0.4 -6,-0.1 -0.295 36.1-131.8 -58.5 142.1 23.5 9.9 13.4 72 137 A K - 0 0 29 -4,-0.1 16,-2.1 -6,-0.1 2,-0.4 -0.892 15.5-157.9-102.2 119.5 26.5 11.3 15.3 73 138 A L E -D 87 0A 30 -2,-0.6 14,-0.3 -11,-0.4 3,-0.1 -0.833 8.5-173.5 -93.9 132.9 28.2 14.3 13.7 74 139 A F E - 0 0 7 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.848 59.4 -24.2 -93.1 -43.5 31.9 14.9 14.8 75 140 A E E -D 86 0A 22 11,-1.6 11,-3.0 2,-0.0 2,-0.5 -0.999 40.6-130.4-164.8 164.5 32.6 18.2 13.2 76 141 A I E +D 85 0A 18 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 32.9 175.0-119.4 123.9 32.1 20.8 10.5 77 142 A L E -D 84 0A 31 7,-2.1 7,-3.2 -2,-0.5 2,-0.3 -0.916 8.4-161.0-127.7 153.0 35.2 22.0 8.8 78 143 A E E -D 83 0A 67 -2,-0.3 -72,-0.4 5,-0.2 2,-0.2 -0.950 15.0-178.1-136.0 154.2 35.6 24.4 5.8 79 144 A D - 0 0 61 3,-1.9 -74,-0.0 -2,-0.3 5,-0.0 -0.655 59.2 -74.1-124.7-167.0 37.9 25.6 3.1 80 145 A S S S+ 0 0 124 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.736 129.1 27.5 -62.5 -23.8 37.4 28.3 0.4 81 146 A S S S+ 0 0 52 1,-0.1 -37,-2.8 -37,-0.1 -36,-0.5 0.735 118.7 25.6-107.3 -32.0 34.9 26.2 -1.6 82 147 A S E -C 43 0A 9 -39,-0.3 -3,-1.9 -38,-0.1 2,-0.3 -0.865 54.9-128.0-139.8 160.9 33.1 23.7 0.7 83 148 A F E -CD 42 78A 0 -41,-2.0 -41,-2.2 -2,-0.3 2,-0.5 -0.878 24.1-154.8-101.2 148.4 31.9 22.7 4.1 84 149 A Y E -CD 41 77A 27 -7,-3.2 -7,-2.1 -2,-0.3 2,-0.7 -0.940 5.4-167.4-128.8 105.4 32.9 19.2 5.3 85 150 A I E -CD 40 76A 9 -45,-2.7 -45,-2.3 -2,-0.5 2,-0.5 -0.841 13.1-160.0 -95.1 109.9 30.5 17.6 7.9 86 151 A V E +CD 39 75A 0 -11,-3.0 -12,-3.2 -2,-0.7 -11,-1.6 -0.805 21.2 154.7 -99.8 131.0 32.3 14.6 9.3 87 152 A G E -CD 38 73A 0 -49,-3.7 -49,-2.6 -2,-0.5 -14,-0.2 -0.858 45.9 -56.7-143.4 176.2 30.3 11.8 11.0 88 153 A E - 0 0 46 -16,-2.1 2,-0.5 -2,-0.3 -51,-0.1 -0.241 51.1-128.7 -51.9 140.1 30.1 8.2 12.1 89 154 A L - 0 0 44 -53,-0.4 2,-0.3 -52,-0.1 -1,-0.1 -0.870 22.3-162.2 -95.6 124.8 30.5 5.7 9.2 90 155 A Y - 0 0 26 -2,-0.5 53,-0.2 1,-0.1 52,-0.2 -0.838 11.7-171.1-106.2 146.8 27.7 3.0 9.0 91 156 A T + 0 0 89 51,-1.6 52,-0.2 -2,-0.3 51,-0.2 0.490 67.9 78.1-114.0 -7.4 28.1 -0.2 6.9 92 157 A G S S- 0 0 13 49,-2.1 50,-0.2 1,-0.2 51,-0.1 0.468 81.3-145.2 -89.8 -4.2 24.6 -1.7 7.0 93 158 A G - 0 0 35 48,-0.5 48,-3.6 49,-0.1 -1,-0.2 -0.199 43.0 -19.0 73.1-163.7 22.9 0.4 4.3 94 159 A E B >> -G 140 0C 68 46,-0.2 3,-1.3 1,-0.1 4,-0.9 -0.536 44.3-131.9 -88.0 143.8 19.3 1.5 4.3 95 160 A L H >> S+ 0 0 1 44,-2.9 4,-2.0 41,-0.9 3,-0.7 0.863 106.6 72.1 -50.8 -39.2 16.3 0.1 6.2 96 161 A F H 3> S+ 0 0 69 40,-0.9 4,-1.7 43,-0.3 -1,-0.3 0.829 94.7 49.5 -43.4 -43.0 14.6 0.2 2.8 97 162 A D H <> S+ 0 0 70 -3,-1.3 4,-2.4 2,-0.2 -1,-0.3 0.796 105.2 57.8 -73.8 -29.0 16.8 -2.7 1.6 98 163 A E H - 0 0 58 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.211 42.5-107.0 -63.1 166.5 7.1 -10.3 12.6 107 172 A E H > S+ 0 0 29 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.863 123.7 53.8 -65.2 -35.5 5.5 -8.1 15.3 108 173 A H H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.979 113.6 39.2 -57.5 -58.7 8.6 -8.9 17.4 109 174 A D H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.819 117.0 49.3 -66.6 -36.7 11.1 -7.7 14.7 110 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.839 110.8 52.9 -66.7 -35.5 9.0 -4.8 13.5 111 176 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.922 107.5 48.7 -66.3 -46.9 8.7 -3.8 17.2 112 177 A R H X S+ 0 0 28 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.903 117.1 44.1 -60.7 -41.1 12.4 -3.8 17.9 113 178 A I H >X S+ 0 0 20 -4,-1.5 4,-1.0 2,-0.2 3,-1.0 0.967 115.7 42.0 -67.9 -57.4 13.0 -1.7 14.8 114 179 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 3,-0.3 0.842 104.8 67.0 -67.3 -31.3 10.3 0.9 15.0 115 180 A K H 3X S+ 0 0 12 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.3 0.858 101.0 50.9 -50.3 -38.2 11.0 1.3 18.8 116 181 A Q H <>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.2 3,-0.6 0.973 111.9 44.9 -58.1 -53.0 14.7 14.9 18.2 125 190 A H H ><5S+ 0 0 19 -4,-3.2 3,-1.7 1,-0.3 -2,-0.2 0.835 106.4 58.5 -65.7 -32.9 11.4 16.5 19.2 126 191 A K H 3<5S+ 0 0 122 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.855 110.0 46.0 -61.3 -31.1 12.5 17.1 22.8 127 192 A H T <<5S- 0 0 94 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.192 123.1-110.6 -96.2 17.0 15.3 19.2 21.2 128 193 A N T < 5S+ 0 0 146 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.892 73.1 133.6 59.0 46.7 12.8 20.9 18.9 129 194 A I < - 0 0 26 -5,-1.6 2,-0.4 -8,-0.2 -1,-0.2 -0.996 37.8-162.4-127.1 124.4 14.0 19.3 15.7 130 195 A V - 0 0 42 -2,-0.4 26,-0.3 1,-0.2 54,-0.1 -0.815 14.9-145.2 -98.8 145.8 11.6 17.9 13.2 131 196 A H - 0 0 5 -2,-0.4 25,-0.3 53,-0.1 -1,-0.2 0.979 17.6-164.6 -70.1 -56.2 13.0 15.5 10.6 132 197 A R S S+ 0 0 99 51,-0.1 -1,-0.1 52,-0.1 23,-0.1 0.064 78.6 42.6 92.8 -19.1 10.6 16.7 7.8 133 198 A D S S+ 0 0 52 21,-0.2 2,-0.2 2,-0.1 5,-0.1 -0.205 70.1 169.6-154.6 47.6 11.3 13.6 5.6 134 199 A L + 0 0 0 38,-0.1 60,-0.1 3,-0.1 5,-0.1 -0.491 21.9 134.0 -67.5 132.5 11.4 10.5 7.7 135 200 A K > - 0 0 32 -2,-0.2 3,-1.2 58,-0.0 -40,-0.1 -0.958 69.2 -89.8-168.4 169.5 11.5 7.4 5.5 136 201 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -40,-0.9 0.812 121.0 59.7 -64.5 -26.7 13.3 4.1 5.2 137 202 A E G 3 S+ 0 0 43 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.0 0.646 103.6 52.3 -74.3 -17.4 16.0 5.6 3.0 138 203 A N G < S+ 0 0 10 -3,-1.2 15,-2.2 -5,-0.1 2,-0.5 0.066 95.4 80.6-105.0 19.1 16.9 8.0 5.8 139 204 A I E < - H 0 152C 0 -3,-1.3 -44,-2.9 13,-0.2 -43,-0.3 -0.962 68.2-165.0-123.8 113.7 17.3 5.3 8.3 140 205 A L E -GH 94 151C 37 11,-2.9 11,-2.7 -2,-0.5 2,-0.5 -0.689 20.3-122.9 -99.2 147.2 20.7 3.5 8.1 141 206 A L E - H 0 150C 22 -48,-3.6 -49,-2.1 -2,-0.3 -48,-0.5 -0.790 17.5-140.4 -85.9 127.3 21.8 0.2 9.6 142 207 A E S S- 0 0 24 7,-2.2 -51,-1.6 -2,-0.5 2,-0.2 0.832 73.3 -28.8 -55.3 -39.9 24.9 0.6 11.8 143 208 A S S S- 0 0 10 6,-0.3 5,-0.1 -52,-0.2 -53,-0.0 -0.765 70.0 -86.2-154.8-162.4 26.5 -2.6 10.6 144 209 A K S S+ 0 0 148 -2,-0.2 -2,-0.0 3,-0.0 4,-0.0 0.439 83.1 115.3-100.8 -4.7 25.7 -6.0 9.3 145 210 A E S > S- 0 0 104 2,-0.1 3,-1.0 1,-0.0 -2,-0.2 -0.227 76.6-102.1 -66.9 161.0 25.3 -7.7 12.7 146 211 A K T 3 S+ 0 0 197 1,-0.3 2,-0.8 2,-0.0 -3,-0.1 0.929 106.9 18.7 -56.3 -75.9 21.8 -9.1 13.6 147 212 A D T 3 S+ 0 0 88 -35,-0.0 -1,-0.3 -34,-0.0 -2,-0.1 -0.252 88.6 163.8 -96.4 49.3 20.0 -6.7 16.0 148 213 A C < - 0 0 15 -3,-1.0 -2,-0.0 -2,-0.8 0, 0.0 -0.276 43.9 -98.1 -71.6 148.1 22.2 -3.7 15.2 149 214 A D - 0 0 13 -8,-0.1 -7,-2.2 1,-0.0 2,-0.3 -0.338 34.6-134.5 -57.2 142.4 21.1 -0.1 16.1 150 215 A I E - H 0 141C 5 -9,-0.2 2,-0.4 -37,-0.1 -9,-0.2 -0.731 15.8-145.3 -96.6 157.5 19.5 1.9 13.3 151 216 A K E - H 0 140C 9 -11,-2.7 -11,-2.9 -2,-0.3 2,-0.4 -0.986 4.6-140.7-133.7 117.1 20.6 5.5 12.8 152 217 A I E +fH 70 139C 0 -83,-2.7 -81,-2.8 -2,-0.4 2,-0.2 -0.667 31.6 179.4 -78.0 126.2 18.4 8.3 11.6 153 218 A I + 0 0 30 -15,-2.2 -15,-0.0 -2,-0.4 -16,-0.0 -0.686 38.6 44.2-114.3 169.4 20.3 10.6 9.2 154 219 A D S S+ 0 0 39 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.943 71.7 106.1 69.0 71.4 19.6 13.7 7.1 155 220 A F + 0 0 27 -3,-0.1 -1,-0.2 -23,-0.1 -24,-0.1 -0.945 48.5 52.9-167.6 151.4 17.8 16.5 9.1 156 221 A G S S+ 0 0 25 -25,-0.3 3,-0.2 -26,-0.3 4,-0.1 0.131 88.4 78.1 107.9 -17.7 18.6 19.9 10.7 157 222 A L > + 0 0 13 1,-0.1 4,-1.9 2,-0.1 3,-0.3 0.223 56.5 112.9-105.6 12.7 20.2 21.7 7.7 158 223 A S T 4 S+ 0 0 45 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.787 84.7 34.5 -66.7 -33.9 17.0 22.5 5.9 159 224 A T T 4 S+ 0 0 73 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.631 114.6 61.2 -90.2 -17.2 17.1 26.3 6.3 160 225 A C T 4 S+ 0 0 0 -3,-0.3 -111,-3.0 -111,-0.1 -110,-1.1 0.840 111.1 24.9 -75.2 -38.1 21.0 26.4 6.1 161 226 A F B < -E 48 0B 4 -4,-1.9 2,-0.4 -113,-0.2 -113,-0.2 -0.880 67.5-131.9-133.3 162.4 21.3 25.0 2.6 162 227 A Q - 0 0 98 -115,-1.8 2,-0.1 -2,-0.3 -3,-0.1 -0.958 17.5-147.5-122.8 128.9 19.4 24.7 -0.7 163 228 A Q - 0 0 99 -2,-0.4 -142,-0.1 1,-0.2 -5,-0.0 -0.281 9.2-168.2 -81.4 166.8 19.0 21.5 -2.8 164 229 A N 0 0 144 -2,-0.1 -1,-0.2 0, 0.0 -117,-0.0 0.547 360.0 360.0-112.2 -68.9 18.7 21.2 -6.6 165 230 A T 0 0 162 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.521 360.0 360.0-142.4 360.0 17.6 17.6 -7.4 166 ! 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 0.0 167 236 A I 0 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 11.4 8.7 -6.1 168 237 A G + 0 0 21 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.528 360.0 117.9 111.9 13.2 9.0 7.2 -3.6 169 238 A T > + 0 0 36 1,-0.2 3,-2.0 2,-0.1 4,-0.4 0.815 60.3 78.2 -75.2 -30.6 8.9 9.9 -0.9 170 239 A A G > S+ 0 0 2 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.767 81.4 67.0 -50.6 -35.2 5.1 10.4 -1.5 171 240 A Y G 3 S+ 0 0 48 -3,-0.4 -1,-0.3 1,-0.2 34,-0.3 0.788 104.9 42.3 -52.5 -33.8 4.2 7.3 0.5 172 241 A Y G < S+ 0 0 14 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.2 0.417 84.0 110.3-102.8 -4.0 5.5 8.8 3.8 173 242 A I < - 0 0 39 -3,-0.9 14,-0.1 -4,-0.4 5,-0.1 -0.622 64.4-128.7 -83.8 125.8 4.2 12.4 3.7 174 243 A A > - 0 0 0 -2,-0.4 4,-0.6 12,-0.2 3,-0.4 -0.240 27.1-112.9 -57.4 159.2 1.4 13.4 6.2 175 244 A P H >> S+ 0 0 7 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.885 114.1 62.1 -66.9 -37.7 -1.6 15.2 4.5 176 245 A E H >4>S+ 0 0 18 1,-0.3 5,-1.7 70,-0.3 3,-1.4 0.827 94.4 63.7 -57.0 -31.2 -0.9 18.5 6.2 177 246 A V H >45S+ 0 0 19 -3,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.800 94.2 59.4 -66.1 -27.2 2.5 18.6 4.4 178 247 A L H <<5S+ 0 0 49 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.692 101.0 58.1 -67.2 -18.9 0.6 18.8 1.1 179 248 A R T <<5S- 0 0 157 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.215 126.3-103.6 -92.4 12.1 -0.8 22.0 2.7 180 249 A G T < 5S+ 0 0 67 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.629 83.2 126.9 78.1 15.2 2.7 23.5 3.0 181 250 A T < - 0 0 71 -5,-1.7 2,-0.3 2,-0.0 -1,-0.3 -0.853 34.6-179.7-112.2 137.7 2.7 22.8 6.8 182 251 A Y + 0 0 96 -2,-0.4 2,-0.3 -3,-0.1 3,-0.0 -0.944 13.8 144.4-124.9 153.4 5.2 20.9 8.9 183 252 A D >> - 0 0 58 -2,-0.3 3,-2.0 65,-0.0 4,-0.6 -0.917 65.2 -77.8-165.6 178.8 5.3 20.2 12.6 184 253 A E H >> S+ 0 0 71 1,-0.3 3,-0.8 -2,-0.3 4,-0.8 0.795 121.6 66.2 -55.8 -30.6 6.5 17.3 14.9 185 254 A K H 3> S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.632 86.9 68.8 -69.9 -15.5 3.3 15.3 14.1 186 255 A C H <> S+ 0 0 3 -3,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.897 98.2 51.6 -67.3 -36.3 4.4 14.9 10.4 187 256 A D H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-0.8 0.977 111.3 49.8 -53.3 -57.9 2.7 10.1 10.5 190 259 A S H 3X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.852 111.7 49.5 -50.9 -39.4 5.8 9.2 8.4 191 260 A A H 3X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.790 107.2 55.4 -71.3 -30.1 6.8 6.7 11.1 192 261 A G H S- 0 0 83 -3,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.709 84.6 -94.6-127.7-179.7 2.4 6.7 -9.9 210 279 A E H > S+ 0 0 110 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.747 118.0 57.7 -71.1 -26.6 3.0 9.8 -7.7 211 280 A Y H > S+ 0 0 162 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.949 112.1 40.3 -65.5 -47.7 -0.3 11.5 -8.7 212 281 A D H > S+ 0 0 74 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.811 113.2 53.7 -77.4 -31.8 -2.4 8.6 -7.5 213 282 A I H >X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 3,-0.7 0.967 111.5 45.6 -62.3 -52.9 -0.3 7.9 -4.3 214 283 A L H 3X S+ 0 0 47 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.704 106.1 63.3 -63.6 -20.2 -0.7 11.6 -3.2 215 284 A K H 3X S+ 0 0 105 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.853 106.3 41.4 -73.5 -37.1 -4.4 11.3 -4.1 216 285 A R H S+ 0 0 121 -4,-1.3 4,-1.6 -3,-0.7 5,-0.6 0.914 112.3 54.5 -73.3 -46.2 -5.0 8.7 -1.4 217 286 A V H <5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.806 104.2 59.6 -51.8 -34.8 -2.8 10.5 1.1 218 287 A E H <5S+ 0 0 69 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.951 108.2 41.5 -53.6 -53.7 -5.1 13.5 0.3 219 288 A T H <5S- 0 0 82 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.725 98.7-134.6 -73.0 -25.8 -8.2 11.6 1.5 220 289 A G T <5 + 0 0 14 -4,-1.6 2,-0.4 1,-0.2 -3,-0.1 0.341 55.1 145.9 81.4 -4.7 -6.5 10.1 4.6 221 290 A K < + 0 0 150 -5,-0.6 2,-0.3 -16,-0.0 -1,-0.2 -0.543 8.5 139.6 -76.5 119.5 -8.2 6.7 3.7 222 291 A Y - 0 0 51 -2,-0.4 2,-0.3 -3,-0.1 -17,-0.1 -0.907 24.0-167.4-138.9 171.2 -6.3 3.5 4.4 223 292 A A - 0 0 38 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.934 36.5-118.1-149.6 172.9 -7.4 0.1 5.8 224 293 A F S S+ 0 0 35 -2,-0.3 5,-0.0 1,-0.1 13,-0.0 -0.409 74.4 121.2-106.5 51.7 -6.3 -3.2 7.2 225 294 A D + 0 0 136 4,-0.1 -1,-0.1 3,-0.1 5,-0.1 0.854 33.4 102.3 -85.6 -42.8 -8.0 -4.9 4.2 226 295 A L S > S- 0 0 59 -3,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.167 85.0-115.0 -45.7 137.1 -5.0 -6.8 2.7 227 296 A P G > S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.728 110.3 66.7 -50.5 -28.9 -5.3 -10.5 3.7 228 297 A Q G > S+ 0 0 43 1,-0.2 3,-0.6 2,-0.1 -2,-0.1 0.656 84.7 72.9 -71.4 -15.1 -2.1 -10.4 5.8 229 298 A W G X S+ 0 0 1 -3,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.692 80.6 73.1 -72.9 -17.9 -3.6 -8.0 8.4 230 299 A R G < S+ 0 0 190 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.827 95.2 49.3 -68.2 -33.4 -5.8 -10.7 9.9 231 300 A T G < S+ 0 0 129 -3,-0.6 2,-0.4 -4,-0.3 -1,-0.3 -0.122 94.5 94.0 -99.0 36.9 -2.9 -12.5 11.6 232 301 A I S < S- 0 0 13 -3,-1.1 5,-0.0 -126,-0.0 -126,-0.0 -0.996 82.3-106.3-128.4 133.7 -1.7 -9.3 13.1 233 302 A S > - 0 0 38 -2,-0.4 4,-1.3 1,-0.1 -2,-0.0 0.084 16.4-121.6 -57.5 164.8 -2.7 -8.2 16.6 234 303 A D H > S+ 0 0 123 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.743 110.2 65.7 -75.9 -24.5 -5.2 -5.4 17.5 235 304 A D H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.869 102.1 44.7 -66.7 -40.5 -2.5 -3.8 19.5 236 305 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 114.4 51.7 -66.7 -43.2 -0.3 -3.1 16.4 237 306 A K H X S+ 0 0 34 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.896 106.9 52.5 -56.0 -43.8 -3.5 -1.9 14.7 238 307 A D H X S+ 0 0 56 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.907 110.5 48.0 -63.7 -40.9 -4.3 0.4 17.6 239 308 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.943 112.7 47.5 -60.6 -50.0 -0.8 2.0 17.3 240 309 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 3,-0.3 0.947 111.0 52.0 -58.4 -50.3 -1.0 2.5 13.5 241 310 A R H < S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.4 48.1 -50.5 -48.6 -4.5 4.0 13.8 242 311 A K H < S+ 0 0 81 -4,-2.0 10,-1.3 -5,-0.2 3,-0.4 0.827 115.5 45.5 -62.3 -32.9 -3.2 6.5 16.5 243 312 A M H < S+ 0 0 0 -4,-1.8 -2,-0.2 -3,-0.3 -51,-0.2 0.838 113.4 48.0 -79.6 -34.9 -0.2 7.4 14.2 244 313 A L S < S+ 0 0 5 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.118 78.0 138.3 -97.5 20.4 -2.2 7.7 11.0 245 314 A T - 0 0 35 -3,-0.4 6,-0.1 -5,-0.2 -3,-0.1 -0.458 53.3-136.0 -59.5 141.4 -4.9 9.9 12.6 246 315 A F S S+ 0 0 86 -2,-0.1 -70,-0.3 4,-0.1 -1,-0.1 0.923 83.9 65.2 -77.6 -50.7 -5.7 12.6 10.1 247 316 A H S >> S- 0 0 109 1,-0.1 3,-0.8 -72,-0.1 4,-0.8 -0.646 75.4-144.5 -75.4 123.8 -5.8 15.8 12.3 248 317 A P G >4 S+ 0 0 37 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.859 97.4 58.3 -55.2 -40.0 -2.3 16.5 13.7 249 318 A S G 34 S+ 0 0 107 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.796 110.3 43.6 -64.1 -29.1 -3.7 17.8 17.0 250 319 A L G <4 S+ 0 0 123 -3,-0.8 -1,-0.3 2,-0.1 2,-0.2 0.547 94.8 101.4 -89.4 -12.3 -5.5 14.4 17.6 251 320 A R S << S- 0 0 5 -3,-0.8 -8,-0.2 -4,-0.8 -9,-0.1 -0.470 80.8-105.6 -75.6 144.3 -2.4 12.4 16.5 252 321 A I - 0 0 19 -10,-1.3 -1,-0.1 -2,-0.2 -64,-0.1 -0.304 33.5-112.7 -71.2 155.8 -0.2 10.8 19.2 253 322 A T > - 0 0 40 1,-0.1 4,-1.5 -65,-0.1 -1,-0.1 -0.151 28.4-103.7 -74.6 174.2 3.2 12.3 20.1 254 323 A A H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -132,-0.2 0.876 122.5 54.4 -64.1 -39.3 6.6 10.6 19.6 255 324 A T H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 106.1 50.0 -64.4 -41.9 6.7 9.7 23.3 256 325 A Q H > S+ 0 0 93 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.842 107.1 55.4 -68.0 -36.0 3.3 8.0 23.2 257 326 A C H >< S+ 0 0 2 -4,-1.5 3,-0.8 2,-0.2 -1,-0.2 0.948 111.1 45.4 -53.5 -49.4 4.5 6.0 20.2 258 327 A L H 3< S+ 0 0 8 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 115.7 46.1 -62.7 -39.2 7.4 4.9 22.4 259 328 A E H 3< S+ 0 0 111 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.462 82.0 130.1 -84.6 -2.7 5.2 4.1 25.5 260 329 A H XX - 0 0 9 -3,-0.8 4,-2.0 -4,-0.7 3,-0.9 -0.224 66.8-122.7 -59.3 138.4 2.6 2.2 23.5 261 330 A P H 3> S+ 0 0 79 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.865 111.4 56.3 -46.9 -45.5 1.7 -1.2 25.1 262 331 A W H 3> S+ 0 0 3 -27,-0.3 4,-1.2 1,-0.2 5,-0.1 0.841 108.7 47.9 -58.1 -38.3 2.6 -3.1 21.9 263 332 A I H <> S+ 0 0 0 -3,-0.9 4,-1.9 -6,-0.2 -1,-0.2 0.912 111.6 49.7 -64.2 -46.7 6.1 -1.6 22.0 264 333 A Q H < S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.938 107.8 54.6 -59.5 -48.6 6.5 -2.5 25.7 265 334 A K H < S+ 0 0 153 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.853 115.7 34.3 -56.4 -43.9 5.4 -6.1 25.2 266 335 A Y H < S+ 0 0 63 -4,-1.2 2,-0.7 1,-0.2 -1,-0.2 0.767 113.9 53.3 -90.2 -28.7 7.9 -7.0 22.4 267 336 A S < + 0 0 3 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.626 65.3 122.4-111.8 71.9 11.0 -5.0 23.3 268 337 A S + 0 0 76 -2,-0.7 2,-0.2 -3,-0.3 -1,-0.1 -0.196 29.1 163.4-122.0 38.0 11.7 -6.0 26.9 269 338 A E - 0 0 54 52,-0.0 -2,-0.0 -3,-0.0 -3,-0.0 -0.430 19.5-173.7 -64.7 131.2 15.2 -7.3 26.7 270 339 A T - 0 0 84 -2,-0.2 53,-0.1 1,-0.0 2,-0.1 -0.789 27.3 -79.9-132.0 160.2 16.5 -7.5 30.2 271 340 A P + 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.393 49.0 177.5 -71.0 144.9 19.8 -8.2 32.0 272 341 A T > - 0 0 60 -2,-0.1 3,-0.6 1,-0.0 4,-0.3 -0.638 47.1 -85.1-132.6-177.0 20.9 -11.8 32.5 273 342 A I T > S+ 0 0 127 1,-0.2 3,-1.7 -2,-0.2 -1,-0.0 0.865 121.6 63.0 -61.0 -40.3 23.8 -14.0 33.9 274 343 A S T 3> S+ 0 0 93 1,-0.3 4,-0.5 2,-0.1 -1,-0.2 0.799 100.8 53.0 -53.3 -34.6 25.6 -13.8 30.6 275 344 A D H <> S+ 0 0 18 -3,-0.6 4,-3.1 1,-0.2 -1,-0.3 0.575 85.4 89.7 -81.2 -10.3 25.9 -10.0 31.1 276 345 A L H <> S+ 0 0 31 -3,-1.7 4,-3.1 -4,-0.3 5,-0.2 0.938 89.1 41.5 -58.7 -53.2 27.5 -10.3 34.5 277 346 A P H > S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.936 119.2 46.9 -61.8 -43.6 31.2 -10.4 33.5 278 347 A S H X S+ 0 0 21 -4,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.872 114.8 47.6 -55.1 -41.1 30.5 -7.7 30.9 279 348 A L H X S+ 0 0 17 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.828 106.3 57.8 -72.9 -33.3 28.6 -5.8 33.7 280 349 A E H X S+ 0 0 59 -4,-3.1 4,-1.6 -5,-0.2 -1,-0.2 0.830 104.6 51.7 -64.5 -35.7 31.5 -6.4 36.1 281 350 A S H X S+ 0 0 46 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.884 106.1 54.1 -67.2 -39.8 33.9 -4.7 33.7 282 351 A A H X S+ 0 0 5 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.855 107.3 53.2 -60.7 -36.2 31.5 -1.6 33.5 283 352 A M H X S+ 0 0 36 -4,-1.5 4,-3.3 2,-0.2 3,-0.3 0.952 104.4 51.0 -65.4 -56.4 31.6 -1.4 37.3 284 353 A T H X S+ 0 0 73 -4,-1.6 4,-0.9 1,-0.2 5,-0.2 0.893 113.1 46.8 -46.1 -47.8 35.4 -1.2 37.8 285 354 A N H X S+ 0 0 10 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.787 117.7 40.1 -75.1 -31.4 35.8 1.6 35.2 286 355 A I H X S+ 0 0 14 -4,-1.4 4,-2.0 -3,-0.3 5,-0.2 0.853 104.4 69.1 -78.6 -38.3 32.9 3.7 36.5 287 356 A R H < S+ 0 0 123 -4,-3.3 4,-0.2 1,-0.3 -2,-0.2 0.748 108.9 35.4 -56.1 -30.4 33.9 3.0 40.2 288 357 A Q H >X S+ 0 0 80 -4,-0.9 3,-1.0 -5,-0.2 4,-0.6 0.744 109.3 63.9 -90.4 -29.6 37.1 5.0 39.8 289 358 A F H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.775 97.4 59.4 -61.0 -26.8 35.4 7.5 37.5 290 359 A Q T 3< S+ 0 0 51 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.763 122.3 23.0 -68.5 -29.2 33.2 8.3 40.6 291 360 A A T <4 S+ 0 0 93 -3,-1.0 2,-0.2 -5,-0.2 -2,-0.2 0.114 98.0 115.4-124.8 18.7 36.4 9.3 42.4 292 361 A E S < S- 0 0 31 -4,-0.6 5,-0.2 1,-0.1 -3,-0.0 -0.645 79.7 -78.3 -86.9 150.5 38.7 10.1 39.5 293 362 A K > - 0 0 163 -2,-0.2 4,-3.2 1,-0.1 -1,-0.1 -0.016 32.2-124.7 -54.3 148.8 39.9 13.8 39.1 294 363 A K H > S+ 0 0 167 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.876 114.4 48.2 -60.9 -43.5 37.5 16.4 37.7 295 364 A L H > S+ 0 0 129 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.762 115.0 48.8 -68.5 -26.6 40.0 17.4 34.9 296 365 A A H > S+ 0 0 26 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.916 108.7 52.4 -72.5 -47.8 40.4 13.7 34.3 297 366 A Q H X S+ 0 0 14 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.869 115.7 38.5 -59.2 -44.5 36.6 13.2 34.1 298 367 A A H X S+ 0 0 60 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.830 115.2 53.7 -75.2 -34.8 35.9 15.9 31.6 299 368 A A H X S+ 0 0 28 -4,-1.0 4,-1.0 -5,-0.3 -2,-0.2 0.816 109.6 48.6 -69.4 -33.2 39.1 15.1 29.6 300 369 A L H X S+ 0 0 14 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.822 106.0 58.1 -72.7 -35.5 38.0 11.5 29.3 301 370 A L H X S+ 0 0 33 -4,-1.1 4,-1.1 -5,-0.2 -2,-0.2 0.840 106.2 48.8 -63.5 -36.6 34.5 12.5 28.2 302 371 A Y H X S+ 0 0 78 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.809 113.7 46.3 -74.6 -33.2 35.9 14.4 25.2 303 372 A M H X S+ 0 0 4 -4,-1.0 4,-2.4 2,-0.2 3,-0.4 0.983 115.1 41.6 -73.8 -59.2 38.2 11.5 24.1 304 373 A A H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.792 115.1 54.1 -60.2 -29.6 35.8 8.6 24.2 305 374 A S H < S+ 0 0 17 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.893 118.1 31.5 -71.2 -38.8 33.0 10.7 22.7 306 375 A K H < S+ 0 0 34 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.1 0.815 124.8 36.1 -89.2 -31.0 34.9 11.8 19.6 307 376 A L H < S+ 0 0 1 -4,-2.4 -1,-0.1 -5,-0.1 -3,-0.1 0.103 82.5 112.0-123.2 21.8 37.3 8.9 18.8 308 377 A T < - 0 0 16 -4,-0.5 2,-0.3 -3,-0.1 3,-0.1 -0.309 46.0-149.0 -87.7 175.2 35.6 5.5 19.6 309 378 A T >> - 0 0 52 1,-0.1 4,-1.9 -2,-0.1 3,-1.2 -0.960 26.9-104.7-144.4 161.2 34.4 2.8 17.1 310 379 A L H 3> S+ 0 0 45 -2,-0.3 4,-0.7 1,-0.3 7,-0.2 0.905 115.5 50.7 -48.2 -56.2 31.7 0.2 16.8 311 380 A D H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.621 112.2 49.9 -65.3 -14.8 33.8 -2.9 17.6 312 381 A E H <4 S+ 0 0 49 -3,-1.2 3,-0.5 1,-0.1 4,-0.2 0.920 120.1 28.8 -87.5 -53.5 35.2 -1.2 20.7 313 382 A T H X S+ 0 0 9 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.152 87.4 106.4 -98.3 16.9 32.1 -0.0 22.5 314 383 A K H X S+ 0 0 69 -4,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.717 81.5 50.8 -70.7 -21.7 29.8 -2.8 21.1 315 384 A Q H >> S+ 0 0 107 -3,-0.5 4,-1.8 2,-0.2 3,-0.7 0.913 109.7 46.6 -79.3 -48.9 29.7 -4.4 24.5 316 385 A L H 3> S+ 0 0 15 -4,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.831 107.0 63.1 -58.0 -34.4 28.9 -1.3 26.5 317 386 A T H 3X S+ 0 0 12 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.818 103.9 45.1 -60.0 -37.1 26.2 -0.8 23.8 318 387 A E H < + 0 0 9 -4,-1.6 3,-1.9 -5,-0.2 -1,-0.2 -0.376 55.7 163.9 -79.6 64.2 17.5 1.5 29.3 325 394 A T T 3 S+ 0 0 71 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.788 72.3 49.2 -58.2 -32.9 14.1 -0.0 30.5 326 395 A N T 3 S- 0 0 62 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.471 102.9-135.2 -87.3 -1.7 12.0 2.9 29.1 327 396 A N < + 0 0 20 -3,-1.9 -2,-0.1 -6,-0.2 -208,-0.1 0.595 64.3 128.3 65.1 22.0 13.8 2.7 25.7 328 397 A D S S- 0 0 16 2,-0.3 -1,-0.1 -206,-0.1 -205,-0.1 0.425 80.0-109.0 -88.4 2.3 14.4 6.4 25.2 329 398 A G S S+ 0 0 3 1,-0.2 49,-0.4 -5,-0.2 2,-0.3 0.561 89.3 82.2 84.5 9.7 18.1 6.0 24.5 330 399 A M S S- 0 0 15 47,-0.1 2,-0.7 -263,-0.1 -2,-0.3 -0.979 75.5-118.3-143.6 157.5 19.4 7.6 27.8 331 400 A L B -I 376 0D 0 45,-1.8 45,-2.0 -2,-0.3 -7,-0.1 -0.844 27.0-163.8-105.4 110.9 19.8 6.4 31.3 332 401 A D > - 0 0 50 -2,-0.7 4,-1.3 43,-0.2 43,-0.1 -0.277 37.2 -95.4 -82.7 174.6 17.8 8.1 34.1 333 402 A R H > S+ 0 0 84 41,-0.4 4,-1.3 1,-0.2 3,-0.1 0.871 120.4 48.0 -58.3 -44.2 18.5 8.0 37.8 334 403 A D H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.900 104.6 58.0 -69.1 -42.4 16.1 5.2 38.6 335 404 A E H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 106.0 51.2 -56.5 -36.8 17.2 2.8 35.8 336 405 A L H X S+ 0 0 21 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.921 110.3 48.9 -66.1 -42.3 20.8 2.9 37.2 337 406 A V H X S+ 0 0 7 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.904 112.8 45.5 -66.7 -45.0 19.5 2.0 40.7 338 407 A R H X S+ 0 0 123 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.916 113.3 52.4 -63.4 -42.4 17.3 -0.9 39.5 339 408 A G H X S+ 0 0 12 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.875 108.5 49.3 -58.8 -41.8 20.3 -2.1 37.3 340 409 A Y H X S+ 0 0 34 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.864 113.7 46.9 -65.7 -35.1 22.6 -2.0 40.3 341 410 A H H X S+ 0 0 56 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.912 114.6 46.2 -70.8 -43.2 20.0 -4.1 42.3 342 411 A E H X S+ 0 0 56 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.891 109.0 56.1 -64.9 -43.4 19.5 -6.5 39.4 343 412 A F H X S+ 0 0 11 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.942 112.4 41.7 -52.1 -53.0 23.3 -6.8 39.0 344 413 A M H X>S+ 0 0 40 -4,-1.7 5,-2.4 2,-0.2 4,-1.4 0.902 112.8 53.7 -63.8 -44.0 23.7 -7.8 42.6 345 414 A R H ><5S+ 0 0 152 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.946 108.7 48.4 -57.7 -50.0 20.7 -10.1 42.5 346 415 A L H 3<5S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.730 112.4 50.6 -61.4 -25.3 22.0 -12.1 39.5 347 416 A K H 3<5S- 0 0 95 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.647 118.0-112.5 -86.3 -20.9 25.4 -12.4 41.2 348 417 A G T <<5S+ 0 0 68 -4,-1.4 2,-0.4 -3,-0.8 -3,-0.2 0.637 70.8 133.4 99.1 19.9 23.8 -13.7 44.5 349 418 A V < - 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0 0 55 -2,-0.3 4,-1.1 1,-0.1 3,-0.3 -0.499 12.6-156.1 -66.0 137.7 38.9 0.6 29.7 388 462 A R H > S+ 0 0 50 2,-0.2 4,-1.1 -2,-0.2 -1,-0.1 0.473 91.2 80.2 -86.3 -7.1 41.5 3.2 29.5 389 463 A T H 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.779 112.5 17.6 -62.2 -31.5 43.7 0.2 28.7 390 464 A I H 4 S+ 0 0 88 -3,-0.3 -2,-0.2 3,-0.1 3,-0.2 0.578 117.8 67.7-114.6 -22.8 42.3 0.5 25.1 391 465 A L H < S+ 0 0 3 -4,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.743 96.7 62.4 -65.2 -25.5 40.9 4.0 25.1 392 466 A L < + 0 0 27 -4,-1.1 2,-0.3 4,-0.1 -1,-0.2 -0.751 61.9 148.6-115.0 84.3 44.5 5.4 25.3 393 467 A S > - 0 0 44 -2,-0.7 4,-2.0 -3,-0.2 3,-0.4 -0.816 57.5-112.1-103.6 154.5 46.6 4.5 22.3 394 468 A R H > S+ 0 0 147 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.880 116.1 57.8 -53.2 -42.9 49.4 6.8 21.1 395 469 A E H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 107.4 46.5 -55.5 -47.1 47.5 7.6 17.9 396 470 A R H > S+ 0 0 17 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.894 110.9 51.0 -64.1 -42.6 44.4 8.9 19.9 397 471 A M H X S+ 0 0 4 -4,-2.0 4,-3.6 1,-0.2 -1,-0.2 0.901 108.4 54.3 -59.2 -40.6 46.5 11.0 22.2 398 472 A E H X S+ 0 0 49 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.911 112.4 42.2 -60.5 -44.2 48.2 12.5 19.1 399 473 A R H >X S+ 0 0 7 -4,-1.9 4,-1.6 2,-0.2 3,-0.7 0.972 114.8 50.2 -66.6 -55.7 44.8 13.5 17.7 400 474 A A H >X S+ 0 0 0 -4,-3.1 3,-1.3 1,-0.2 4,-0.6 0.941 106.2 56.6 -40.3 -59.1 43.5 14.7 21.1 401 475 A F H >X S+ 0 0 22 -4,-3.6 4,-1.2 1,-0.3 3,-0.6 0.855 112.8 41.1 -44.2 -42.9 46.7 16.8 21.4 402 476 A K H << S+ 0 0 104 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.626 101.8 69.6 -85.0 -15.7 45.9 18.5 18.1 403 477 A M H << S+ 0 0 34 -4,-1.6 -1,-0.2 -3,-1.3 -2,-0.2 0.488 110.5 33.7 -77.8 -6.4 42.1 18.9 18.8 404 478 A F H << S+ 0 0 68 -3,-0.6 2,-1.8 -4,-0.6 3,-0.2 0.652 93.8 86.1-117.3 -35.7 42.9 21.5 21.5 405 479 A D < + 0 0 18 -4,-1.2 -1,-0.1 -5,-0.3 7,-0.1 -0.548 57.3 172.6 -67.2 87.8 45.9 23.3 20.1 406 480 A K + 0 0 90 -2,-1.8 -1,-0.2 1,-0.2 6,-0.1 0.925 69.7 44.8 -71.3 -48.0 43.8 25.7 18.1 407 481 A D S S- 0 0 102 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.784 108.8-118.0 -69.3 -28.5 46.4 28.1 16.8 408 482 A G + 0 0 48 3,-0.1 -2,-0.1 -6,-0.0 4,-0.1 0.924 63.6 141.8 86.6 57.8 48.9 25.3 15.8 409 483 A S - 0 0 65 2,-0.3 3,-0.1 -408,-0.0 -3,-0.0 0.820 65.7-116.4 -95.3 -39.5 51.8 26.1 18.1 410 484 A G S S+ 0 0 46 1,-0.2 2,-0.3 9,-0.0 10,-0.2 0.260 96.3 65.3 102.1 -4.5 53.2 22.8 19.3 411 485 A K S S- 0 0 50 8,-0.1 -2,-0.3 9,-0.0 2,-0.3 -0.990 82.2-118.5-148.3 150.2 52.2 23.9 22.8 412 486 A I - 0 0 66 -2,-0.3 2,-0.2 -3,-0.1 -7,-0.1 -0.684 20.1-150.4 -94.3 141.8 48.9 24.6 24.6 413 487 A S > - 0 0 51 -2,-0.3 4,-1.2 1,-0.1 3,-0.3 -0.644 27.0-113.5-101.7 164.2 47.9 27.9 26.1 414 488 A T T 4 S+ 0 0 137 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.861 113.6 59.0 -65.4 -38.7 45.6 28.5 29.1 415 489 A K T 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.836 102.7 55.3 -59.6 -34.1 42.8 30.1 27.0 416 490 A E T 4 0 0 49 -3,-0.3 -1,-0.2 1,-0.0 -2,-0.2 0.910 360.0 360.0 -69.4 -45.3 42.5 27.0 24.9 417 491 A L < 0 0 111 -4,-1.2 -2,-0.1 -3,-0.1 -3,-0.1 0.953 360.0 360.0 -79.3 360.0 41.9 24.5 27.7 418 ! 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 0.0 419 523 A D > 0 0 91 0, 0.0 4,-1.2 0, 0.0 -8,-0.1 0.000 360.0 360.0 360.0 145.2 54.3 19.6 24.9 420 524 A F H > + 0 0 33 2,-0.2 4,-2.6 -10,-0.2 5,-0.1 0.873 360.0 51.7 -72.1 -40.8 53.1 16.1 23.7 421 525 A N H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 110.9 48.7 -66.4 -37.5 55.2 14.0 26.2 422 526 A E H > S+ 0 0 145 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.827 111.0 53.2 -67.2 -33.1 53.9 16.1 29.1 423 527 A F H X S+ 0 0 26 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.941 106.2 52.2 -60.0 -49.7 50.4 15.5 27.5 424 528 A V H X S+ 0 0 18 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.846 109.2 48.0 -62.7 -38.5 50.9 11.7 27.4 425 529 A E H < S+ 0 0 119 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.888 107.9 55.7 -69.4 -41.5 51.9 11.4 31.1 426 530 A M H >< S+ 0 0 100 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.922 111.9 42.0 -55.5 -50.0 48.9 13.5 32.2 427 531 A L H 3< S+ 0 0 33 -4,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.732 104.9 68.0 -71.7 -23.8 46.4 11.2 30.5 428 532 A Q T 3< 0 0 99 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.188 360.0 360.0 -92.3 42.5 48.3 8.1 31.7 429 533 A N < 0 0 155 -3,-0.6 -3,-0.0 -2,-0.3 -4,-0.0 -0.831 360.0 360.0-102.9 360.0 47.4 8.6 35.4