==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-MAY-10 3MWU . 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 . 447 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 64.2 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 . 42 9.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 1 0 2 0 2 2 1 1 2 1 1 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 . 4 0 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 0 130 0, 0.0 3,-1.3 0, 0.0 413,-0.0 0.000 360.0 360.0 360.0 -3.3 50.3 27.0 9.3 2 -2 A Y T 3 + 0 0 207 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.933 360.0 43.8 -60.1 -51.0 49.9 28.7 5.8 3 -1 A F T 3 S+ 0 0 178 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.061 99.3 88.4 -85.7 27.7 50.2 25.4 3.7 4 0 A Q < - 0 0 84 -3,-1.3 2,-0.3 5,-0.0 3,-0.1 -0.984 58.8-159.7-128.5 124.1 47.9 23.4 6.0 5 70 A G > - 0 0 39 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.692 24.2-123.7 -95.9 154.1 44.1 23.2 5.6 6 71 A T H > S+ 0 0 84 72,-0.4 4,-1.3 -2,-0.3 5,-0.2 0.990 108.5 29.1 -60.7 -62.8 41.7 22.1 8.4 7 72 A F H >> S+ 0 0 10 71,-0.3 4,-2.7 1,-0.2 3,-0.7 0.973 123.2 49.1 -60.7 -56.3 40.0 19.2 6.6 8 73 A A H 34 S+ 0 0 57 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.769 108.8 53.0 -60.8 -29.0 42.9 18.3 4.4 9 74 A E H 3< S+ 0 0 98 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.861 119.3 34.1 -70.7 -36.6 45.5 18.2 7.2 10 75 A R H << S+ 0 0 18 -4,-1.3 21,-2.8 -3,-0.7 22,-0.4 0.801 119.2 42.5 -91.2 -31.0 43.4 15.8 9.3 11 76 A Y E < -A 30 0A 2 -4,-2.7 2,-0.4 19,-0.3 19,-0.2 -0.933 54.1-154.9-132.9 142.7 41.7 13.6 6.7 12 77 A N E -A 29 0A 64 17,-2.5 17,-2.7 -2,-0.4 2,-0.4 -0.911 28.5-124.9-107.1 137.4 42.4 11.8 3.5 13 78 A I E +A 28 0A 83 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.705 28.0 177.6 -84.5 133.6 39.5 11.1 1.1 14 79 A V E - 0 0 63 13,-2.8 2,-0.3 -2,-0.4 14,-0.2 0.873 55.5 -31.2-100.8 -56.4 39.1 7.4 0.3 15 80 A C E -A 27 0A 52 12,-1.0 12,-3.1 0, 0.0 -1,-0.4 -0.988 61.2 -88.1-160.0 162.7 36.0 7.1 -2.0 16 81 A M E +A 26 0A 101 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.501 32.9 176.4 -70.7 143.5 32.6 8.5 -2.9 17 82 A L E - 0 0 90 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.589 59.1 -21.7-117.4 -30.0 29.6 7.0 -0.9 18 83 A G E -A 25 0A 30 7,-1.8 7,-3.3 3,-0.0 -1,-0.4 -0.969 49.1-141.3-177.4 160.4 26.5 9.0 -2.2 19 84 A K + 0 0 140 -2,-0.3 5,-0.2 5,-0.3 -3,-0.0 -0.982 62.0 52.8-135.0 142.8 25.3 12.2 -3.8 20 85 A G + 0 0 23 -2,-0.3 2,-2.0 3,-0.3 144,-0.4 -0.099 59.4 101.4 139.0 -39.9 22.2 14.4 -3.2 21 86 A S S S- 0 0 23 2,-0.6 133,-0.1 1,-0.2 142,-0.0 -0.381 119.9 -54.0 -86.0 65.9 21.5 15.7 0.3 22 87 A F S S- 0 0 35 -2,-2.0 21,-0.5 20,-0.0 2,-0.3 0.266 125.7 -8.9 79.5 -5.6 22.9 19.3 -0.2 23 88 A G S S- 0 0 17 19,-0.2 -2,-0.6 24,-0.0 -3,-0.3 -0.967 92.9 -52.5 164.9 178.7 26.1 17.7 -1.4 24 89 A E E - B 0 41A 63 17,-0.8 17,-2.9 -2,-0.3 2,-0.5 -0.435 36.9-139.9 -83.2 152.1 28.2 14.5 -1.8 25 90 A V E +AB 18 40A 37 -7,-3.3 -8,-3.3 15,-0.2 -7,-1.8 -0.956 26.1 178.8-111.8 126.2 29.0 12.0 0.9 26 91 A L E -AB 16 39A 16 13,-2.7 13,-2.6 -2,-0.5 2,-0.5 -0.867 30.2-119.8-119.9 155.9 32.6 10.6 0.9 27 92 A K E -AB 15 38A 50 -12,-3.1 -13,-2.8 -2,-0.3 -12,-1.0 -0.850 38.6-178.2 -89.2 136.8 34.4 8.1 3.1 28 93 A C E -AB 13 37A 0 9,-2.7 9,-2.9 -2,-0.5 2,-0.4 -0.888 17.4-140.5-133.5 165.1 37.5 9.7 4.7 29 94 A K E -AB 12 36A 63 -17,-2.7 -17,-2.5 -2,-0.3 2,-0.4 -0.991 21.4-119.3-130.2 130.6 40.3 8.5 6.9 30 95 A D E > -A 11 0A 0 5,-2.9 4,-2.5 -2,-0.4 -19,-0.3 -0.562 23.7-142.4 -65.3 124.0 41.9 10.3 9.8 31 96 A R T 4 S+ 0 0 118 -21,-2.8 -1,-0.1 -2,-0.4 -20,-0.1 0.766 95.2 35.8 -65.7 -26.2 45.6 10.6 8.8 32 97 A I T 4 S+ 0 0 40 -22,-0.4 -1,-0.2 3,-0.1 370,-0.1 0.906 128.5 29.8 -90.5 -51.1 46.9 9.9 12.4 33 98 A T T 4 S- 0 0 17 368,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.691 89.7-138.7 -86.2 -19.2 44.4 7.4 13.8 34 99 A Q < + 0 0 108 -4,-2.5 2,-0.1 1,-0.3 -3,-0.1 0.498 51.7 148.7 69.0 6.3 43.5 5.7 10.5 35 100 A Q - 0 0 23 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.3 -0.453 43.5-127.2 -71.7 144.0 39.9 5.7 11.7 36 101 A E E +B 29 0A 79 -7,-0.2 53,-0.5 -2,-0.1 2,-0.3 -0.716 30.8 171.8-100.2 142.6 37.3 5.9 9.0 37 102 A Y E -B 28 0A 7 -9,-2.9 -9,-2.7 -2,-0.3 2,-0.4 -0.885 32.4-116.1-137.1 165.4 34.4 8.4 8.8 38 103 A A E -BC 27 87A 17 49,-2.5 49,-3.6 -2,-0.3 2,-0.4 -0.872 31.2-166.5-100.0 141.8 31.7 9.7 6.5 39 104 A V E -BC 26 86A 0 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.5 -0.997 12.4-150.4-132.8 128.5 32.0 13.3 5.4 40 105 A K E -BC 25 85A 23 45,-2.7 45,-3.1 -2,-0.4 2,-0.6 -0.877 14.2-156.0 -96.6 127.2 29.3 15.4 3.7 41 106 A V E -BC 24 84A 10 -17,-2.9 -17,-0.8 -2,-0.5 2,-0.5 -0.916 11.2-173.9-110.5 120.6 30.8 18.0 1.5 42 107 A I E - C 0 83A 0 41,-2.5 41,-2.6 -2,-0.6 2,-0.2 -0.963 24.7-124.3-121.4 126.0 28.6 21.1 0.8 43 108 A N E > - C 0 82A 62 -21,-0.5 4,-1.3 -2,-0.5 5,-0.3 -0.492 14.3-153.0 -71.3 132.5 29.5 23.8 -1.6 44 109 A K H > S+ 0 0 33 37,-3.5 4,-2.2 -2,-0.2 -1,-0.1 0.964 89.9 40.8 -68.2 -52.6 29.5 27.2 0.1 45 110 A A H 4 S+ 0 0 98 36,-0.5 -1,-0.1 1,-0.2 37,-0.1 0.838 122.9 37.8 -72.8 -38.1 28.7 29.4 -3.0 46 111 A S H 4 S+ 0 0 91 1,-0.1 -1,-0.2 115,-0.0 -2,-0.2 0.849 128.4 30.0 -73.0 -38.6 26.1 27.2 -4.6 47 112 A A H < S+ 0 0 6 -4,-1.3 115,-2.9 114,-0.1 -3,-0.2 0.724 81.4 112.5-107.2 -28.3 24.4 26.0 -1.5 48 113 A K B < +E 161 0B 70 -4,-2.2 113,-0.2 -5,-0.3 3,-0.1 -0.264 23.2 167.0 -57.1 131.8 24.5 28.6 1.3 49 114 A N + 0 0 83 111,-3.1 2,-0.3 1,-0.1 112,-0.2 0.407 69.3 37.3-116.4 -9.0 21.2 30.1 2.3 50 115 A K S S- 0 0 88 110,-0.9 -1,-0.1 1,-0.1 5,-0.0 -0.929 96.6 -83.4-137.2 160.7 22.5 31.7 5.5 51 116 A D > - 0 0 119 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.180 45.6-109.7 -56.9 159.1 25.7 33.4 6.8 52 117 A T H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.897 117.2 58.9 -62.3 -39.8 28.4 31.1 7.9 53 118 A S H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 107.1 46.9 -59.3 -40.8 27.9 32.1 11.6 54 119 A T H > S+ 0 0 28 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 113.2 49.4 -61.6 -44.2 24.3 30.9 11.5 55 120 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.938 110.5 48.4 -64.5 -47.5 25.3 27.7 9.8 56 121 A L H X S+ 0 0 54 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.892 111.0 52.7 -61.4 -38.4 28.1 26.9 12.3 57 122 A R H X S+ 0 0 145 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.933 113.1 42.2 -61.9 -48.4 25.6 27.7 15.2 58 123 A E H X S+ 0 0 61 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.839 113.7 51.2 -70.0 -35.0 23.0 25.2 13.9 59 124 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.894 104.8 58.5 -69.7 -34.9 25.5 22.5 13.0 60 125 A E H X S+ 0 0 75 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.903 104.0 51.4 -56.9 -41.5 26.9 22.9 16.6 61 126 A L H X S+ 0 0 108 -4,-1.5 4,-0.6 1,-0.2 3,-0.3 0.899 109.2 50.6 -60.4 -39.4 23.4 22.0 17.9 62 127 A L H >< S+ 0 0 14 -4,-1.5 3,-0.9 1,-0.2 11,-0.3 0.896 105.7 55.9 -67.1 -37.9 23.4 18.9 15.6 63 128 A K H 3< S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.798 103.7 55.8 -60.0 -32.6 26.9 17.9 17.0 64 129 A K H 3< S+ 0 0 136 -4,-1.3 -1,-0.2 -3,-0.3 2,-0.2 0.613 76.0 111.1 -79.9 -15.0 25.5 17.9 20.5 65 130 A L << - 0 0 8 -3,-0.9 2,-0.4 -4,-0.6 8,-0.3 -0.494 47.2-177.4 -60.6 123.3 22.7 15.5 19.8 66 131 A D + 0 0 22 -2,-0.2 318,-0.4 6,-0.1 -1,-0.1 -0.828 26.1 125.5-133.1 88.7 23.8 12.3 21.7 67 132 A H > - 0 0 8 -2,-0.4 3,-1.9 3,-0.3 264,-0.1 -0.990 61.6-125.0-149.7 139.1 21.4 9.4 21.2 68 133 A P T 3 S+ 0 0 15 0, 0.0 4,-0.1 0, 0.0 262,-0.1 0.652 109.4 47.0 -69.7 -11.0 22.1 5.9 20.0 69 134 A N T 3 S+ 0 0 10 82,-0.1 83,-2.5 47,-0.1 2,-0.4 0.186 97.9 82.4-111.5 17.5 19.6 6.1 17.1 70 135 A I B < S-f 152 0C 4 -3,-1.9 -3,-0.3 81,-0.2 83,-0.2 -0.972 92.1 -93.9-123.7 137.5 20.6 9.5 15.7 71 136 A M - 0 0 36 81,-2.5 2,-0.5 -2,-0.4 -2,-0.1 -0.165 39.8-132.5 -42.8 126.9 23.5 10.2 13.3 72 137 A K - 0 0 37 -4,-0.1 16,-2.2 16,-0.1 2,-0.5 -0.815 20.3-164.4 -88.8 123.7 26.6 11.1 15.3 73 138 A L E -D 87 0A 26 -2,-0.5 14,-0.3 -11,-0.3 3,-0.1 -0.937 11.2-178.2-110.0 133.5 28.4 14.2 13.9 74 139 A F E - 0 0 4 12,-2.7 2,-0.3 -2,-0.5 13,-0.2 0.802 58.4 -17.9 -97.0 -44.5 31.9 14.9 15.1 75 140 A E E -D 86 0A 14 11,-1.5 11,-3.0 2,-0.0 2,-0.5 -0.998 39.8-136.9-160.8 163.6 32.8 18.2 13.3 76 141 A I E +D 85 0A 21 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.991 31.3 173.5-125.6 121.1 32.3 20.8 10.7 77 142 A L E -D 84 0A 30 7,-2.3 7,-3.0 -2,-0.5 2,-0.3 -0.732 10.0-157.4-119.5 169.2 35.4 22.2 8.9 78 143 A E E -D 83 0A 63 -2,-0.2 -72,-0.4 5,-0.2 -71,-0.3 -0.996 17.1-177.2-150.8 152.1 35.7 24.5 6.0 79 144 A D - 0 0 64 3,-2.1 -74,-0.0 -2,-0.3 5,-0.0 -0.661 58.7 -75.2-127.7-169.2 37.9 25.7 3.2 80 145 A S S S+ 0 0 123 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.737 129.0 28.2 -64.4 -21.1 37.3 28.5 0.6 81 146 A S S S+ 0 0 52 1,-0.1 -37,-3.5 -37,-0.1 -36,-0.5 0.714 118.6 32.1-108.9 -26.6 34.8 26.3 -1.4 82 147 A S E -C 43 0A 10 -39,-0.3 -3,-2.1 -38,-0.1 2,-0.4 -0.901 53.7-132.8-141.7 156.2 33.1 23.9 1.0 83 148 A F E -CD 42 78A 0 -41,-2.6 -41,-2.5 -2,-0.3 2,-0.5 -0.882 25.6-155.6 -96.2 139.3 31.8 22.9 4.4 84 149 A Y E -CD 41 77A 29 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.7 -0.949 5.7-167.8-117.9 109.8 32.9 19.4 5.5 85 150 A I E -CD 40 76A 9 -45,-3.1 -45,-2.7 -2,-0.5 2,-0.4 -0.856 12.1-158.8-101.4 112.3 30.6 17.8 8.0 86 151 A V E +CD 39 75A 0 -11,-3.0 -12,-2.7 -2,-0.7 -11,-1.5 -0.785 21.1 157.7-101.4 131.7 32.3 14.7 9.4 87 152 A G E -CD 38 73A 3 -49,-3.6 -49,-2.5 -2,-0.4 -14,-0.2 -0.846 45.0 -64.4-142.1 176.4 30.3 11.9 11.0 88 153 A E - 0 0 49 -16,-2.2 2,-0.5 -2,-0.3 -51,-0.1 -0.406 49.6-125.8 -66.9 138.2 30.2 8.3 12.0 89 154 A L - 0 0 41 -53,-0.5 2,-0.4 -2,-0.1 -1,-0.1 -0.776 22.3-164.0 -89.1 123.9 30.4 5.9 9.1 90 155 A Y - 0 0 22 -2,-0.5 53,-0.2 1,-0.1 52,-0.2 -0.902 8.1-174.9-109.3 138.8 27.6 3.3 9.0 91 156 A T + 0 0 85 51,-1.9 52,-0.2 -2,-0.4 51,-0.2 0.358 62.6 83.2-118.0 3.5 28.0 0.2 6.8 92 157 A G S S- 0 0 10 49,-1.9 50,-0.2 1,-0.2 51,-0.1 0.450 84.8-137.1 -91.4 -2.9 24.7 -1.7 7.0 93 158 A G - 0 0 33 48,-0.4 48,-3.0 -3,-0.1 -1,-0.2 -0.110 42.5 -25.3 77.5-174.6 22.9 0.4 4.3 94 159 A E B >> -G 140 0C 69 46,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.447 47.7-128.2 -75.5 142.6 19.4 1.7 4.2 95 160 A L H 3> S+ 0 0 1 44,-2.8 4,-2.2 41,-0.9 3,-0.3 0.834 107.9 73.8 -50.5 -33.0 16.5 0.2 6.2 96 161 A F H 3> S+ 0 0 70 40,-1.3 4,-2.0 43,-0.4 -1,-0.3 0.893 93.5 48.4 -48.2 -48.4 14.8 0.3 2.8 97 162 A D H <> S+ 0 0 71 -3,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.830 106.2 56.6 -67.6 -31.2 16.9 -2.6 1.6 98 163 A E H X S+ 0 0 49 -4,-1.0 4,-2.4 -3,-0.3 5,-0.3 0.884 105.9 52.2 -65.3 -37.9 16.2 -4.7 4.7 99 164 A I H X S+ 0 0 19 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.951 110.9 47.8 -58.2 -45.7 12.5 -4.3 3.8 100 165 A I H < S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.947 114.1 45.3 -63.0 -47.4 13.2 -5.5 0.3 101 166 A K H < S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.912 124.3 32.4 -60.7 -44.7 15.2 -8.6 1.5 102 167 A R H < S- 0 0 154 -4,-2.4 2,-2.3 -5,-0.2 -1,-0.2 0.683 85.8-152.7 -93.5 -18.6 12.8 -9.6 4.2 103 168 A K S < S- 0 0 154 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.1 -0.334 73.5 -3.0 74.4 -57.6 9.5 -8.5 2.5 104 169 A R S S- 0 0 128 -2,-2.3 2,-0.3 -6,-0.1 96,-0.2 -0.979 73.3-121.2-157.5 170.6 7.9 -8.0 5.9 105 170 A F - 0 0 16 94,-2.9 97,-0.0 -2,-0.3 -2,-0.0 -0.826 22.1-112.9-118.4 146.2 8.7 -8.5 9.6 106 171 A S > - 0 0 62 -2,-0.3 4,-2.5 1,-0.1 5,-0.3 -0.235 43.1-103.7 -63.1 162.9 7.2 -10.4 12.5 107 172 A E H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 123.1 53.8 -57.0 -43.4 5.7 -8.2 15.2 108 173 A H H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 112.4 41.6 -54.3 -47.6 8.7 -8.9 17.4 109 174 A D H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 114.8 50.8 -74.1 -40.2 11.3 -7.7 14.7 110 175 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.898 109.0 52.5 -58.2 -45.6 9.1 -4.7 13.6 111 176 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.900 107.8 50.5 -60.2 -46.1 8.8 -3.6 17.3 112 177 A R H X S+ 0 0 20 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.2 0.914 116.3 42.0 -58.8 -44.9 12.6 -3.7 17.8 113 178 A I H >X S+ 0 0 21 -4,-1.9 4,-1.7 2,-0.2 3,-0.5 0.956 117.7 43.7 -65.4 -53.9 13.2 -1.6 14.7 114 179 A I H 3X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.3 5,-0.2 0.835 105.5 63.1 -71.8 -28.2 10.3 0.9 15.1 115 180 A K H 3X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.3 0.886 104.5 48.0 -55.9 -43.1 11.1 1.4 18.8 116 181 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.9 0.949 110.5 47.8 -58.8 -50.5 14.8 15.0 18.2 125 190 A H H ><5S+ 0 0 21 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.862 106.4 56.8 -61.6 -38.6 11.5 16.6 19.1 126 191 A K H 3<5S+ 0 0 168 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.771 108.9 48.7 -62.3 -25.9 12.6 17.2 22.7 127 192 A H T <<5S- 0 0 90 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.034 122.5-108.4-100.5 22.8 15.5 19.2 21.1 128 193 A N T < 5S+ 0 0 154 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.805 76.0 133.2 55.7 37.4 13.2 21.1 18.8 129 194 A I < - 0 0 24 -5,-2.3 2,-0.4 -8,-0.1 -1,-0.2 -0.976 37.9-164.0-118.9 127.7 14.3 19.3 15.6 130 195 A V - 0 0 21 -2,-0.5 26,-0.4 1,-0.1 55,-0.1 -0.897 13.3-147.2-105.6 139.1 11.7 18.0 13.1 131 196 A H - 0 0 5 -2,-0.4 25,-0.3 54,-0.1 -1,-0.1 0.960 16.7-171.4 -70.2 -53.6 13.0 15.5 10.6 132 197 A R S S+ 0 0 96 52,-0.2 -1,-0.1 23,-0.1 23,-0.1 -0.057 75.2 45.9 86.7 -27.3 10.7 16.5 7.7 133 198 A D + 0 0 60 21,-0.2 2,-0.4 2,-0.1 5,-0.1 -0.331 69.9 165.8-142.1 46.4 11.6 13.5 5.4 134 199 A L + 0 0 1 39,-0.1 61,-0.1 3,-0.1 5,-0.1 -0.607 19.6 131.7 -74.4 125.1 11.6 10.4 7.5 135 200 A K S > S- 0 0 11 -2,-0.4 3,-1.8 59,-0.0 -40,-0.2 -0.954 71.2 -91.4-164.1 164.8 11.6 7.3 5.4 136 201 A P G > S+ 0 0 0 0, 0.0 -40,-1.3 0, 0.0 3,-1.0 0.746 121.0 63.0 -62.3 -22.4 13.5 4.0 5.2 137 202 A E G 3 S+ 0 0 34 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.747 103.0 49.9 -70.4 -20.3 16.1 5.5 2.9 138 203 A N G < S+ 0 0 7 -3,-1.8 15,-2.8 -5,-0.1 2,-0.4 0.068 96.8 79.8-108.0 21.8 17.1 8.0 5.6 139 204 A I E < - H 0 152C 0 -3,-1.0 -44,-2.8 13,-0.2 -43,-0.4 -0.996 67.4-163.1-125.9 123.5 17.5 5.4 8.3 140 205 A L E -GH 94 151C 33 11,-3.1 11,-2.4 -2,-0.4 2,-0.4 -0.816 20.1-124.8-110.5 146.9 20.8 3.4 8.2 141 206 A L E - H 0 150C 21 -48,-3.0 -49,-1.9 -2,-0.3 -48,-0.4 -0.739 22.9-135.2 -82.8 134.1 21.8 0.2 9.7 142 207 A E S S- 0 0 16 7,-2.4 -51,-1.9 -2,-0.4 2,-0.2 0.851 74.5 -23.7 -60.0 -38.0 25.0 0.7 11.8 143 208 A S S S- 0 0 10 6,-0.2 5,-0.2 2,-0.2 -51,-0.1 -0.815 72.8 -87.9-154.7-170.6 26.8 -2.4 10.5 144 209 A K S S+ 0 0 145 -2,-0.2 2,-0.1 3,-0.1 3,-0.1 0.369 84.6 117.2 -93.1 5.5 26.1 -5.8 9.0 145 210 A E S > S- 0 0 106 1,-0.1 3,-1.3 2,-0.0 -2,-0.2 -0.392 78.8 -89.6 -74.2 150.0 25.7 -7.5 12.4 146 211 A K T 3 S- 0 0 186 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.312 105.4 -3.0 -61.4 136.4 22.4 -9.0 13.4 147 212 A D T 3 S+ 0 0 73 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.824 88.6 166.9 46.8 43.4 20.0 -6.5 15.2 148 213 A C < - 0 0 8 -3,-1.3 -1,-0.1 -5,-0.2 2,-0.0 -0.363 45.8 -80.9 -69.9 166.4 22.6 -3.7 15.2 149 214 A D - 0 0 6 -8,-0.1 -7,-2.4 -2,-0.1 2,-0.3 -0.338 41.4-130.3 -66.2 147.8 21.3 -0.2 16.1 150 215 A I E - H 0 141C 5 -9,-0.2 2,-0.4 -37,-0.1 -9,-0.2 -0.681 17.5-148.6 -95.7 158.2 19.5 1.9 13.4 151 216 A K E - H 0 140C 14 -11,-2.4 -11,-3.1 -2,-0.3 2,-0.4 -0.976 6.6-140.0-136.7 116.7 20.6 5.5 12.8 152 217 A I E +fH 70 139C 0 -83,-2.5 -81,-2.5 -2,-0.4 -13,-0.2 -0.645 34.3 175.2 -74.5 129.0 18.4 8.3 11.6 153 218 A I + 0 0 16 -15,-2.8 -15,-0.0 -2,-0.4 -16,-0.0 -0.725 37.2 46.1-125.0 174.3 20.2 10.5 9.1 154 219 A D S S+ 0 0 50 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.943 75.6 109.2 60.4 62.4 19.7 13.5 6.7 155 220 A F + 0 0 28 -3,-0.1 -1,-0.2 -23,-0.1 -24,-0.1 -0.955 47.8 48.8-148.9 167.3 17.9 16.1 8.7 156 221 A G S S+ 0 0 16 -26,-0.4 3,-0.2 -25,-0.3 4,-0.2 0.279 85.8 84.5 90.9 -9.4 18.6 19.5 10.3 157 222 A L >> + 0 0 16 1,-0.1 4,-1.9 2,-0.1 3,-0.5 0.481 56.7 100.3-103.5 0.8 20.3 21.3 7.3 158 223 A S T 34 S+ 0 0 53 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.687 83.7 43.6 -72.2 -25.4 17.2 22.6 5.4 159 224 A T T 34 S+ 0 0 59 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.766 116.4 49.2 -81.7 -29.9 17.1 26.2 6.6 160 225 A C T <4 S+ 0 0 0 -3,-0.5 -111,-3.1 -4,-0.2 -110,-0.9 0.837 113.7 36.0 -78.7 -38.2 20.9 26.6 6.1 161 226 A F B < -E 48 0B 2 -4,-1.9 2,-0.4 -113,-0.2 -113,-0.2 -0.919 69.1-132.3-126.2 142.7 21.4 25.2 2.6 162 227 A Q - 0 0 93 -115,-2.9 2,-0.1 -2,-0.3 -3,-0.1 -0.801 28.7-136.2 -90.6 136.3 19.4 25.2 -0.7 163 228 A Q 0 0 98 -2,-0.4 -142,-0.1 -5,-0.1 -1,-0.0 -0.427 360.0 360.0 -86.2 162.9 19.1 21.8 -2.4 164 229 A N 0 0 191 -144,-0.4 -1,-0.1 -2,-0.1 -143,-0.1 0.830 360.0 360.0 -49.9 360.0 19.5 21.0 -6.2 165 ! 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 0.0 166 234 A D 0 0 211 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.9 13.3 13.4 -8.2 167 235 A R > - 0 0 163 1,-0.1 3,-0.9 2,-0.0 2,-0.3 -0.577 360.0-111.7 -86.5 138.8 13.7 10.4 -5.9 168 236 A I T 3 S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.475 88.7 10.0 -77.3 123.1 11.3 7.4 -6.2 169 237 A G T > S+ 0 0 15 -2,-0.3 3,-1.2 3,-0.0 4,-0.3 0.370 76.1 121.5 101.7 -1.0 8.8 6.7 -3.4 170 238 A T G X> + 0 0 37 -3,-0.9 3,-1.7 1,-0.2 4,-0.6 0.855 69.2 69.5 -61.0 -32.4 9.0 9.8 -1.1 171 239 A A G >4 S+ 0 0 3 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.788 85.5 68.5 -53.8 -33.5 5.3 10.3 -1.7 172 240 A Y G <4 S+ 0 0 51 -3,-1.2 34,-0.3 1,-0.2 -1,-0.3 0.763 103.5 41.2 -57.2 -27.8 4.4 7.2 0.3 173 241 A Y G <4 S+ 0 0 14 -3,-1.7 -1,-0.2 -4,-0.3 21,-0.2 0.560 83.3 109.3-107.7 -9.8 5.5 8.7 3.6 174 242 A I << - 0 0 34 -3,-0.6 -41,-0.1 -4,-0.6 14,-0.1 -0.455 65.1-122.6 -82.5 142.3 4.3 12.3 3.7 175 243 A A >> - 0 0 0 -2,-0.2 3,-1.1 1,-0.1 4,-0.7 -0.380 25.7-112.4 -78.0 155.0 1.5 13.4 6.0 176 244 A P G >4 S+ 0 0 7 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.886 115.5 59.8 -61.9 -36.0 -1.6 15.0 4.5 177 245 A E G >4 S+ 0 0 21 1,-0.3 3,-1.2 70,-0.2 5,-0.5 0.766 92.5 67.6 -64.3 -22.7 -0.9 18.4 6.0 178 246 A V G X4 S+ 0 0 17 -3,-1.1 3,-1.8 1,-0.3 -1,-0.3 0.849 91.3 61.7 -62.7 -33.9 2.5 18.5 4.2 179 247 A L G << S+ 0 0 49 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.707 102.0 54.2 -63.8 -17.8 0.4 18.8 1.0 180 248 A R G < S- 0 0 153 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.157 128.5 -97.5 -97.8 17.8 -0.8 22.1 2.6 181 249 A G S < S+ 0 0 65 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.977 83.5 125.5 62.8 54.6 2.7 23.4 3.1 182 250 A T + 0 0 61 -5,-0.5 2,-0.4 -4,-0.1 -1,-0.2 -0.946 31.6 177.2-141.3 128.0 3.1 22.4 6.8 183 251 A Y + 0 0 125 -2,-0.3 2,-0.2 -5,-0.1 -53,-0.1 -0.982 22.6 150.6-122.3 114.9 5.9 20.4 8.4 184 252 A D >> - 0 0 63 -2,-0.4 3,-1.6 -52,-0.0 4,-0.7 -0.768 63.2 -84.2-134.1 179.1 5.5 20.0 12.2 185 253 A E H >> S+ 0 0 71 1,-0.3 4,-1.0 -2,-0.2 3,-1.0 0.869 124.5 61.3 -57.9 -35.6 6.6 17.3 14.8 186 254 A K H 3> S+ 0 0 27 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.746 91.7 64.9 -64.4 -24.1 3.3 15.4 14.1 187 255 A C H <> S+ 0 0 2 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.864 98.9 54.4 -68.1 -30.7 4.3 14.9 10.4 188 256 A D H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.6 0.969 110.8 49.3 -55.7 -54.3 2.8 10.0 10.5 191 259 A S H 3X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.887 110.2 51.8 -54.6 -41.0 5.8 9.1 8.4 192 260 A A H 3X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.836 108.0 51.8 -63.5 -33.9 6.9 6.6 11.2 193 261 A G H S- 0 0 77 1,-0.0 4,-1.5 -41,-0.0 3,-0.1 -0.941 88.0 -95.0-152.9 169.9 2.7 6.4 -9.8 211 279 A E H > S+ 0 0 109 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.781 115.1 61.7 -65.3 -27.6 3.1 9.5 -7.8 212 280 A Y H > S+ 0 0 148 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.975 108.0 39.3 -63.3 -55.3 -0.3 11.0 -8.9 213 281 A D H > S+ 0 0 58 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.808 112.7 56.8 -67.5 -33.2 -2.5 8.2 -7.5 214 282 A I H X S+ 0 0 6 -4,-1.5 4,-2.2 1,-0.2 3,-0.3 0.947 107.1 48.2 -61.9 -49.1 -0.4 7.8 -4.3 215 283 A L H X S+ 0 0 52 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.807 104.4 61.0 -64.7 -31.1 -0.9 11.5 -3.4 216 284 A K H X S+ 0 0 91 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.920 109.9 41.3 -59.7 -44.0 -4.7 11.3 -4.1 217 285 A R H >X>S+ 0 0 113 -4,-1.4 4,-1.2 -3,-0.3 3,-0.7 0.887 110.9 54.6 -73.5 -42.5 -5.0 8.7 -1.3 218 286 A V H ><5S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.910 103.7 58.7 -55.1 -42.5 -2.7 10.3 1.1 219 287 A E H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 107.0 45.1 -56.6 -36.1 -4.8 13.5 0.8 220 288 A T H <<5S- 0 0 82 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.670 99.1-137.8 -81.8 -21.2 -7.9 11.6 2.0 221 289 A G T <<5 + 0 0 11 -4,-1.2 2,-0.5 -3,-0.6 -3,-0.2 0.484 52.9 148.0 72.1 6.2 -6.1 10.0 4.8 222 290 A K < + 0 0 139 -5,-0.7 2,-0.3 25,-0.0 -1,-0.2 -0.604 9.2 142.1 -83.4 120.0 -8.0 6.8 3.9 223 291 A Y - 0 0 47 -2,-0.5 2,-0.3 -3,-0.1 -17,-0.1 -0.904 25.6-158.4-142.5 170.0 -6.2 3.5 4.5 224 292 A A - 0 0 39 -19,-0.3 3,-0.2 -2,-0.3 2,-0.2 -0.946 30.3-127.3-147.7 164.8 -7.3 0.1 5.7 225 293 A F S S+ 0 0 32 -2,-0.3 13,-0.0 1,-0.1 -2,-0.0 -0.527 70.7 123.4-105.1 56.4 -6.0 -3.2 7.2 226 294 A D + 0 0 136 -2,-0.2 -1,-0.1 4,-0.1 5,-0.1 0.763 31.8 104.8 -93.9 -32.3 -7.7 -5.1 4.4 227 295 A L S > S- 0 0 54 -3,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.197 83.5-113.7 -48.4 143.5 -4.8 -7.0 2.9 228 296 A P G > S+ 0 0 81 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.806 111.4 65.1 -55.9 -32.8 -4.9 -10.7 3.9 229 297 A Q G > S+ 0 0 41 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.694 87.9 69.8 -67.0 -19.4 -1.8 -10.5 6.0 230 298 A W G X S+ 0 0 1 -3,-1.9 3,-1.3 1,-0.2 -1,-0.3 0.656 81.1 74.3 -73.4 -15.9 -3.4 -8.1 8.5 231 299 A R G < S+ 0 0 187 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.789 99.1 44.9 -70.3 -26.7 -5.8 -10.8 9.9 232 300 A T G < S+ 0 0 121 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.3 0.159 93.1 98.9-100.7 17.1 -2.9 -12.4 11.8 233 301 A I S < S- 0 0 17 -3,-1.3 5,-0.0 1,-0.1 -127,-0.0 -0.868 82.9-100.8-103.4 142.8 -1.5 -9.1 13.2 234 302 A S > - 0 0 29 -2,-0.4 4,-1.6 1,-0.1 3,-0.4 -0.150 16.1-125.9 -65.2 149.3 -2.4 -8.1 16.8 235 303 A D H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.818 111.2 62.9 -58.0 -32.5 -5.1 -5.6 17.6 236 304 A D H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.877 102.6 46.6 -58.7 -44.6 -2.4 -3.8 19.6 237 305 A A H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.877 112.7 50.4 -65.3 -40.3 -0.2 -3.1 16.6 238 306 A K H X S+ 0 0 28 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.856 107.5 54.8 -65.4 -36.2 -3.3 -1.9 14.6 239 307 A D H X S+ 0 0 57 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.932 108.7 47.0 -64.1 -46.0 -4.2 0.4 17.6 240 308 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.957 112.7 49.7 -57.4 -52.3 -0.7 2.0 17.5 241 309 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.919 109.6 50.8 -54.5 -47.9 -0.9 2.5 13.7 242 310 A R H < S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 109.8 51.1 -58.1 -40.0 -4.4 4.0 13.9 243 311 A K H >< S+ 0 0 82 -4,-2.1 10,-1.5 1,-0.2 3,-0.5 0.839 114.2 43.7 -66.1 -33.4 -3.1 6.5 16.5 244 312 A M H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.817 113.8 48.7 -80.5 -35.9 -0.1 7.4 14.3 245 313 A L T 3< S+ 0 0 4 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 -0.087 76.3 141.7 -99.4 34.3 -2.1 7.7 11.0 246 314 A T < - 0 0 35 -3,-0.5 6,-0.1 1,-0.1 -3,-0.1 -0.633 52.6-135.4 -72.0 133.0 -4.8 9.9 12.6 247 315 A F S S+ 0 0 87 -2,-0.3 -70,-0.2 -27,-0.1 -1,-0.1 0.929 87.3 63.3 -62.1 -51.7 -5.8 12.5 10.0 248 316 A H S >> S- 0 0 110 1,-0.2 3,-1.4 -72,-0.1 4,-0.8 -0.638 75.3-147.7 -78.4 122.4 -5.9 15.6 12.2 249 317 A P T 34 S+ 0 0 41 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.806 95.8 62.5 -62.8 -26.8 -2.4 16.3 13.7 250 318 A S T 34 S+ 0 0 104 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.734 110.3 39.8 -69.4 -21.7 -3.9 17.7 16.9 251 319 A L T <4 S+ 0 0 120 -3,-1.4 -1,-0.2 2,-0.1 2,-0.1 0.521 95.4 103.0 -98.6 -10.3 -5.4 14.3 17.6 252 320 A R S < S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.4 -9,-0.1 -0.445 80.3-106.1 -76.0 146.3 -2.4 12.3 16.4 253 321 A I - 0 0 17 -10,-1.5 -1,-0.1 -2,-0.1 -64,-0.1 -0.304 30.7-114.6 -74.8 161.7 -0.2 10.9 19.2 254 322 A T > - 0 0 43 1,-0.1 4,-1.6 -65,-0.1 -1,-0.1 -0.319 29.6-104.9 -86.3 172.0 3.2 12.4 20.1 255 323 A A H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -133,-0.2 0.903 121.9 55.6 -66.3 -40.8 6.5 10.5 19.5 256 324 A T H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 105.9 52.0 -57.3 -36.8 6.8 9.8 23.3 257 325 A Q H > S+ 0 0 90 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.865 108.4 51.4 -71.2 -35.8 3.3 8.2 23.2 258 326 A C H >< S+ 0 0 1 -4,-1.6 3,-1.6 2,-0.2 6,-0.2 0.973 111.2 46.8 -57.3 -57.1 4.6 6.0 20.3 259 327 A L H 3< S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.842 115.6 46.5 -54.6 -38.7 7.6 5.0 22.4 260 328 A E H 3< S+ 0 0 111 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.462 82.4 129.2 -84.0 -2.7 5.4 4.3 25.4 261 329 A H XX - 0 0 9 -3,-1.6 4,-1.9 -4,-0.5 3,-1.3 -0.229 67.8-121.5 -63.6 141.0 2.7 2.3 23.6 262 330 A P H 3> S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.817 111.2 57.5 -50.3 -38.6 1.8 -1.1 25.1 263 331 A W H 3> S+ 0 0 0 -27,-0.3 4,-0.6 2,-0.2 -26,-0.1 0.822 108.6 47.3 -61.4 -33.9 2.7 -3.0 21.9 264 332 A I H X4 S+ 0 0 1 -3,-1.3 3,-1.1 -6,-0.2 -1,-0.2 0.936 110.7 50.3 -70.8 -47.5 6.2 -1.5 22.0 265 333 A Q H >< S+ 0 0 112 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.867 102.3 61.8 -61.9 -38.1 6.7 -2.3 25.7 266 334 A K H 3< S+ 0 0 98 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.778 109.6 41.9 -55.0 -33.0 5.6 -5.9 25.1 267 335 A Y T << S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 -0.127 101.6 71.4-110.1 34.8 8.6 -6.4 22.8 268 336 A S < + 0 0 20 -3,-1.5 -1,-0.2 1,-0.1 60,-0.0 -0.503 46.8 134.2-146.3 69.5 11.3 -4.6 24.8 269 337 A S + 0 0 86 -3,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.215 26.4 146.9-101.9 9.1 12.0 -6.8 27.7 270 338 A E + 0 0 53 55,-0.1 -3,-0.0 -3,-0.1 -2,-0.0 -0.273 20.6 150.9 -55.6 123.5 15.8 -6.5 27.3 271 339 A T - 0 0 67 -2,-0.0 53,-0.1 53,-0.0 52,-0.1 -0.988 51.0 -71.2-157.2 152.7 17.3 -6.6 30.8 272 340 A P - 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0 0 38 -2,-0.6 4,-1.4 -19,-0.3 -19,-0.2 -0.095 45.3 -89.0 -70.1-175.3 54.5 19.6 24.7 437 524 A F H > S+ 0 0 32 -21,-0.5 4,-2.7 1,-0.2 5,-0.2 0.908 123.6 55.9 -70.7 -40.7 53.2 16.2 23.6 438 525 A N H > S+ 0 0 109 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.831 111.1 44.6 -63.2 -34.7 55.3 14.0 25.9 439 526 A E H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.767 111.0 54.6 -78.6 -29.8 54.1 15.8 29.0 440 527 A F H X S+ 0 0 6 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.900 106.4 52.2 -63.0 -43.8 50.5 15.7 27.6 441 528 A V H X S+ 0 0 16 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.848 113.3 43.5 -64.5 -35.6 50.9 11.9 27.3 442 529 A E H X S+ 0 0 108 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.914 110.9 55.7 -71.3 -44.7 52.0 11.8 31.0 443 530 A M H >X S+ 0 0 42 -4,-2.7 4,-1.4 1,-0.2 3,-0.6 0.919 113.0 41.0 -52.1 -49.7 49.2 14.2 32.0 444 531 A L H 3X S+ 0 0 12 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.803 114.0 52.7 -69.6 -31.8 46.6 11.9 30.4 445 532 A Q H 3< S+ 0 0 59 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.469 107.4 54.0 -81.8 -3.6 48.4 8.8 31.9 446 533 A N H << S+ 0 0 102 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.711 103.1 54.8 -93.0 -32.6 48.2 10.5 35.3 447 534 A F H < S+ 0 0 29 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.949 104.0 55.5 -57.2 -49.6 44.4 11.0 34.9 448 535 A V < 0 0 30 -4,-1.6 -1,-0.2 -54,-0.1 -2,-0.2 0.761 360.0 360.0 -56.5 -28.0 44.3 7.2 34.4 449 536 A R 0 0 191 -4,-0.1 -3,-0.1 -5,-0.1 -2,-0.0 0.405 360.0 360.0 -85.1 360.0 46.1 6.9 37.7