==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-06 2E1U . COMPND 2 MOLECULE: ACYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHRYSANTHEMUM X MORIFOLIUM; . AUTHOR H.UNNO,F.ICHIMAIDA,M.KUSUNOKI,T.NAKAYAMA . 880 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 65 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 5 2 4 0 0 0 2 0 0 1 4 1 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 2 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 . 0 4 2 8 0 0 2 6 2 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 0 2 2 2 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 6 A I 0 0 143 0, 0.0 105,-3.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -46.3 7.6 24.7 62.9 2 7 A L E -A 105 0A 45 103,-0.3 2,-0.5 104,-0.1 103,-0.2 -0.905 360.0-170.2 20.8 78.5 11.0 25.2 63.8 3 8 A T E -A 104 0A 63 101,-2.9 101,-2.2 -2,-0.3 2,-0.8 -0.934 16.7-141.8-111.0 123.0 11.8 28.7 64.9 4 9 A V E +A 103 0A 74 -2,-0.5 99,-0.3 99,-0.2 3,-0.1 -0.760 22.2 176.8 -83.7 112.5 15.4 29.6 65.4 5 10 A L E + 0 0 76 97,-1.6 2,-0.3 -2,-0.8 98,-0.2 0.852 65.6 0.1 -83.0 -41.9 15.6 31.9 68.5 6 11 A E E -A 102 0A 73 96,-2.1 96,-3.1 2,-0.0 2,-0.7 -0.965 49.4-156.6-152.7 134.3 19.4 32.3 68.6 7 12 A Q E +A 101 0A 123 -2,-0.3 94,-0.2 94,-0.2 2,-0.2 -0.917 36.9 173.2-105.7 102.5 22.4 31.2 66.7 8 13 A S E -A 100 0A 7 92,-2.7 92,-2.2 -2,-0.7 2,-0.4 -0.619 31.0-143.1-110.4 166.7 25.3 31.5 69.2 9 14 A Q E -A 99 0A 120 90,-0.2 2,-0.5 -2,-0.2 90,-0.2 -1.000 18.1-158.4-127.3 126.2 28.9 30.6 69.4 10 15 A V E +A 98 0A 9 88,-2.8 88,-2.6 -2,-0.4 52,-0.0 -0.931 12.5 177.6-115.8 124.1 30.3 29.3 72.7 11 16 A S - 0 0 44 -2,-0.5 86,-0.1 86,-0.2 58,-0.1 -0.762 39.5 -88.7-114.1 162.8 34.0 29.4 73.7 12 17 A P - 0 0 9 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.278 69.1 -73.6 -60.8 159.3 35.9 28.5 76.8 13 18 A P > - 0 0 32 0, 0.0 3,-0.6 0, 0.0 4,-0.5 -0.172 62.4 -85.8 -59.4 150.0 36.2 31.4 79.3 14 19 A P T 3 S+ 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.271 111.0 12.7 -51.4 140.1 38.6 34.3 78.4 15 20 A D T 3 S+ 0 0 163 2,-0.2 3,-0.1 -3,-0.1 0, 0.0 0.886 102.0 96.4 57.0 49.3 42.2 33.7 79.5 16 21 A T S < S+ 0 0 64 -3,-0.6 2,-0.4 1,-0.4 -1,-0.1 0.604 77.7 37.8-129.2 -38.6 41.9 29.9 80.3 17 22 A L - 0 0 24 -4,-0.5 -1,-0.4 -5,-0.1 -2,-0.2 -0.976 59.0-163.8-124.8 132.2 43.0 28.0 77.3 18 23 A G - 0 0 36 -2,-0.4 74,-0.1 1,-0.2 2,-0.0 -0.362 53.1 -55.7 -91.3-177.9 45.9 28.6 74.9 19 24 A D - 0 0 101 -2,-0.1 2,-0.3 74,-0.1 74,-0.2 -0.361 67.7-178.9 -54.9 135.5 46.3 27.0 71.5 20 25 A K E -F 92 0B 99 72,-2.5 72,-3.4 -3,-0.1 2,-0.3 -1.000 18.2-159.1-147.9 143.4 46.3 23.2 71.8 21 26 A S E -F 91 0B 58 -2,-0.3 2,-0.4 70,-0.2 70,-0.2 -0.820 3.9-157.6-114.0 156.9 46.7 20.1 69.7 22 27 A L E -F 90 0B 5 68,-2.3 68,-2.4 -2,-0.3 2,-0.2 -0.952 16.3-141.1-135.0 119.9 45.7 16.5 70.2 23 28 A Q E -F 89 0B 84 -2,-0.4 2,-0.3 66,-0.2 66,-0.1 -0.475 19.8-140.3 -77.4 146.9 47.5 13.8 68.3 24 29 A L - 0 0 10 64,-0.6 2,-0.2 -2,-0.2 -1,-0.1 -0.720 7.2-147.9-113.0 157.5 45.4 10.9 67.0 25 30 A T >> - 0 0 4 -2,-0.3 4,-2.8 289,-0.1 3,-0.8 -0.582 42.3 -89.2-111.3 178.4 45.9 7.1 66.7 26 31 A F H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.820 126.3 64.1 -56.2 -32.2 44.7 4.4 64.2 27 32 A F H 34 S+ 0 0 8 287,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.895 111.0 36.8 -56.4 -42.3 41.6 4.1 66.5 28 33 A D H X4 S+ 0 0 1 -3,-0.8 3,-1.9 286,-0.2 -2,-0.2 0.913 112.2 57.5 -75.9 -46.1 40.8 7.7 65.6 29 34 A F H >< S+ 0 0 1 -4,-2.8 3,-1.9 1,-0.3 4,-0.2 0.788 91.6 71.6 -59.2 -29.4 42.0 7.5 61.9 30 35 A F T 3< S+ 0 0 29 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.789 98.5 50.4 -54.7 -28.6 39.6 4.6 61.2 31 36 A W T X S+ 0 0 29 -3,-1.9 3,-2.5 -4,-0.2 135,-0.3 0.353 72.7 114.8 -95.0 5.7 36.7 7.2 61.5 32 37 A L T < S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.790 86.3 33.3 -46.6 -42.2 38.1 9.8 59.1 33 38 A R T 3 S+ 0 0 36 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.112 90.8 127.6-107.1 19.7 35.3 9.4 56.5 34 39 A S < - 0 0 8 -3,-2.5 774,-0.2 1,-0.1 132,-0.1 -0.393 61.4-113.5 -74.2 151.3 32.4 8.6 58.9 35 40 A P - 0 0 17 0, 0.0 130,-0.3 0, 0.0 -1,-0.1 -0.359 48.1 -83.5 -75.1 167.5 29.1 10.5 58.8 36 41 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 128,-0.2 -0.309 37.2-122.8 -73.2 158.2 28.3 12.6 61.8 37 42 A I E -B 163 0A 24 126,-3.1 126,-2.1 -3,-0.1 2,-0.5 -0.859 25.4-165.2 -96.4 132.6 26.7 11.1 65.0 38 43 A N E +B 162 0A 13 -2,-0.4 362,-1.3 124,-0.2 361,-0.9 -0.989 9.1 177.7-123.9 122.5 23.4 12.7 66.1 39 44 A N E -BC 161 398A 19 122,-2.7 122,-3.3 -2,-0.5 2,-0.4 -0.972 11.7-157.0-127.0 139.4 22.0 12.2 69.5 40 45 A L E -BC 160 397A 1 357,-2.9 357,-1.7 -2,-0.4 2,-0.5 -0.946 5.1-168.7-116.4 138.0 18.8 13.6 71.2 41 46 A F E -BC 159 396A 7 118,-1.8 118,-3.2 -2,-0.4 2,-0.4 -0.992 13.6-160.8-121.5 114.4 18.0 14.0 74.8 42 47 A F E -BC 158 395A 0 353,-2.7 352,-2.5 -2,-0.5 353,-1.2 -0.847 7.0-170.2-100.1 133.1 14.4 14.9 75.5 43 48 A Y E -B 157 0A 1 114,-3.1 114,-1.5 -2,-0.4 2,-0.5 -0.965 15.6-140.6-122.8 138.7 13.4 16.4 78.9 44 49 A E E +B 156 0A 93 348,-0.4 112,-0.3 -2,-0.4 111,-0.0 -0.864 41.9 134.2 -96.3 128.6 9.9 17.0 80.3 45 50 A L - 0 0 30 110,-2.4 2,-2.7 -2,-0.5 -2,-0.1 -0.815 60.7-113.9-172.0 136.9 9.4 20.2 82.2 46 51 A P + 0 0 119 0, 0.0 2,-0.3 0, 0.0 109,-0.1 -0.242 55.7 165.4 -77.0 61.1 6.6 22.9 82.1 47 52 A I - 0 0 13 -2,-2.7 107,-3.3 105,-0.2 108,-0.4 -0.578 25.9-149.1 -92.4 131.3 8.9 25.6 80.7 48 53 A T > - 0 0 61 -2,-0.3 4,-2.4 105,-0.2 5,-0.1 -0.481 28.8-111.0 -86.5 163.9 7.7 28.9 79.1 49 54 A R H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 117.9 51.1 -56.4 -47.9 9.5 30.9 76.4 50 55 A S H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 111.4 46.8 -60.6 -44.9 10.4 33.7 78.7 51 56 A Q H >>S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 5,-1.1 0.937 110.3 54.2 -63.2 -41.7 11.9 31.3 81.3 52 57 A F H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.2 0.945 114.7 40.1 -55.2 -54.9 13.8 29.5 78.5 53 58 A T H <5S+ 0 0 73 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.861 116.6 51.2 -57.4 -42.5 15.3 32.8 77.3 54 59 A E H <5S- 0 0 117 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.899 132.7 -3.5 -72.6 -44.5 16.0 34.1 80.9 55 60 A T T X5S+ 0 0 57 -4,-2.7 4,-2.4 -5,-0.2 -3,-0.2 0.776 125.8 55.9-119.7 -40.6 17.7 31.2 82.5 56 61 A V H > S+ 0 0 58 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.896 114.8 54.6 -63.5 -34.5 22.5 31.7 79.6 59 64 A N H X S+ 0 0 74 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.916 109.5 46.6 -59.1 -46.5 22.8 28.5 81.7 60 65 A I H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.969 116.2 44.7 -57.9 -55.0 23.6 26.3 78.6 61 66 A K H X S+ 0 0 61 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.923 117.4 44.7 -55.3 -49.7 26.1 28.9 77.3 62 67 A H H X S+ 0 0 97 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.910 116.5 43.3 -65.4 -48.6 27.8 29.4 80.7 63 68 A S H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.897 115.4 48.9 -67.8 -39.5 28.0 25.7 81.7 64 69 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.947 109.4 53.5 -63.8 -48.3 29.2 24.6 78.2 65 70 A S H X S+ 0 0 19 -4,-2.6 4,-1.0 -5,-0.3 -2,-0.2 0.920 111.3 45.2 -47.4 -53.0 31.8 27.3 78.2 66 71 A I H >X S+ 0 0 15 -4,-2.0 3,-0.8 1,-0.2 4,-0.5 0.929 112.1 51.1 -60.8 -49.1 33.2 26.2 81.6 67 72 A T H >X S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 4,-0.9 0.881 102.9 62.0 -52.0 -41.9 33.1 22.5 80.5 68 73 A L H 3< S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.791 91.8 63.9 -60.2 -31.0 35.1 23.4 77.3 69 74 A K H << S+ 0 0 69 -4,-1.0 -1,-0.3 -3,-0.8 3,-0.3 0.758 110.6 38.9 -67.5 -21.3 38.1 24.6 79.3 70 75 A H H << S+ 0 0 35 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.561 121.3 45.8 -97.4 -12.7 38.5 21.0 80.5 71 76 A F >X + 0 0 0 -4,-0.9 3,-1.3 -3,-0.3 4,-0.5 -0.519 65.4 165.4-130.8 62.3 37.6 19.5 77.2 72 77 A Y H >> S+ 0 0 12 -3,-0.3 3,-1.4 1,-0.3 4,-0.5 0.818 70.0 61.6 -54.4 -40.6 39.5 21.4 74.6 73 78 A P H >4 S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.835 93.7 66.1 -59.0 -30.2 39.1 19.0 71.6 74 79 A F H <4 S+ 0 0 4 -3,-1.3 70,-0.2 1,-0.3 71,-0.2 0.801 109.8 37.0 -57.7 -31.1 35.3 19.5 71.8 75 80 A V H << S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.5 18,-0.3 0.348 109.2 87.0 -99.4 3.2 35.9 23.1 70.7 76 81 A G S << S- 0 0 3 -3,-1.1 68,-0.9 -4,-0.5 2,-0.3 -0.165 72.4-120.6 -87.2-174.2 38.7 22.1 68.3 77 82 A K E -GH 91 143B 30 14,-2.3 14,-2.3 66,-0.2 2,-0.6 -0.938 18.3-112.7-128.0 154.2 38.6 21.0 64.7 78 83 A L E -GH 90 142B 0 64,-3.2 64,-2.4 -2,-0.3 2,-0.6 -0.771 35.5-160.8 -80.6 122.4 39.8 17.9 62.8 79 84 A V E -GH 89 141B 3 10,-3.3 10,-1.7 -2,-0.6 2,-0.5 -0.938 9.2-174.5-112.3 120.8 42.6 19.0 60.6 80 85 A V E - H 0 140B 0 60,-2.2 60,-2.0 -2,-0.6 7,-0.1 -0.962 9.0-154.4-116.7 127.5 43.5 16.8 57.6 81 86 A Y - 0 0 16 5,-0.5 58,-0.2 -2,-0.5 143,-0.1 -0.751 18.2-138.7-103.0 143.7 46.6 17.6 55.4 82 87 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 57,-0.1 0.783 79.3 100.5 -71.7 -24.8 47.1 16.6 51.8 83 88 A A S S- 0 0 39 55,-0.3 3,-0.3 1,-0.2 -2,-0.2 -0.431 75.3-141.0 -56.7 123.8 50.7 15.7 52.5 84 89 A P S S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 137,-0.1 0.670 99.6 50.7 -63.4 -13.5 50.6 11.9 52.8 85 90 A T S S+ 0 0 114 2,-0.1 2,-0.8 1,-0.0 -2,-0.0 0.744 87.6 79.8-100.3 -36.9 53.2 12.4 55.6 86 91 A K S S- 0 0 107 -3,-0.3 -5,-0.5 1,-0.0 -1,-0.0 -0.722 79.4-137.5 -80.3 113.7 51.6 15.0 57.9 87 92 A K - 0 0 53 -2,-0.8 -2,-0.1 1,-0.1 -8,-0.1 -0.412 19.4-100.8 -73.3 143.5 49.0 13.1 60.0 88 93 A P + 0 0 1 0, 0.0 -64,-0.6 0, 0.0 2,-0.3 -0.254 49.1 172.4 -56.8 152.0 45.6 14.5 60.8 89 94 A E E -FG 23 79B 22 -10,-1.7 -10,-3.3 -66,-0.1 2,-0.6 -0.952 37.1-102.8-153.1 164.6 45.1 16.0 64.3 90 95 A I E -FG 22 78B 0 -68,-2.4 -68,-2.3 -2,-0.3 2,-0.5 -0.905 38.4-169.9 -97.4 124.5 42.7 17.9 66.4 91 96 A C E -FG 21 77B 17 -14,-2.3 -14,-2.3 -2,-0.6 2,-0.5 -0.963 12.5-169.9-116.6 124.3 43.6 21.6 66.7 92 97 A Y E -F 20 0B 14 -72,-3.4 -72,-2.5 -2,-0.5 2,-0.4 -0.964 11.6-174.6-102.9 130.5 42.1 24.1 69.1 93 98 A V > - 0 0 54 -2,-0.5 3,-2.6 -18,-0.3 -74,-0.1 -0.960 38.8 -95.9-119.8 138.6 43.1 27.7 68.4 94 99 A E T 3 S+ 0 0 118 -2,-0.4 3,-0.1 1,-0.3 -76,-0.1 -0.324 116.8 40.1 -51.6 133.3 42.1 30.7 70.6 95 100 A G T 3 S+ 0 0 69 1,-0.4 -1,-0.3 -3,-0.0 2,-0.1 0.068 84.4 127.9 105.9 -24.4 38.9 32.1 69.0 96 101 A D < - 0 0 22 -3,-2.6 -1,-0.4 -19,-0.0 2,-0.3 -0.386 36.6-179.7 -62.2 144.3 37.5 28.7 68.1 97 102 A S - 0 0 32 -86,-0.1 2,-0.5 -3,-0.1 -86,-0.2 -0.902 29.5-112.9-142.7 166.1 33.9 28.2 69.3 98 103 A V E -A 10 0A 2 -88,-2.6 -88,-2.8 -2,-0.3 2,-0.6 -0.914 32.6-122.8-102.7 129.0 31.1 25.6 69.4 99 104 A A E -A 9 0A 36 -2,-0.5 48,-2.3 46,-0.5 2,-0.5 -0.633 32.2-176.1 -71.4 117.3 28.0 26.4 67.4 100 105 A V E -Ad 8 147A 0 -92,-2.2 -92,-2.7 -2,-0.6 2,-0.4 -0.963 5.7-164.3-119.3 113.1 25.0 26.4 69.8 101 106 A T E -Ad 7 148A 13 46,-2.5 48,-2.9 -2,-0.5 2,-0.5 -0.812 3.1-160.3 -95.7 132.2 21.6 26.8 68.2 102 107 A F E +Ad 6 149A 0 -96,-3.1 -96,-2.1 -2,-0.4 -97,-1.6 -0.960 25.8 161.0-112.5 130.9 18.6 27.7 70.4 103 108 A A E -Ad 4 150A 0 46,-2.4 48,-2.8 -2,-0.5 2,-0.4 -0.835 33.9-130.6-143.9 174.9 15.2 27.0 68.8 104 109 A E E -Ad 3 151A 18 -101,-2.2 -101,-2.9 -2,-0.3 2,-0.4 -0.999 15.9-159.1-137.0 134.1 11.6 26.4 69.5 105 110 A C E -A 2 0A 4 46,-2.8 -103,-0.3 -2,-0.4 4,-0.1 -0.966 10.3-159.8-120.3 134.2 9.5 23.6 68.1 106 111 A N + 0 0 89 -105,-3.9 2,-0.2 -2,-0.4 -104,-0.1 0.326 58.8 109.4 -98.1 6.7 5.7 23.6 67.8 107 112 A L S S- 0 0 45 -106,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.517 83.6 -97.9 -73.7 148.5 5.2 19.9 67.7 108 113 A D > - 0 0 57 -2,-0.2 3,-1.3 1,-0.2 4,-0.2 -0.575 27.0-145.4 -67.9 123.2 3.6 18.1 70.7 109 114 A L G >> S+ 0 0 1 -2,-0.4 4,-1.8 1,-0.3 3,-1.8 0.817 97.7 63.0 -61.3 -34.5 6.5 16.7 72.7 110 115 A N G 34 S+ 0 0 93 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.700 97.1 58.7 -63.8 -22.7 4.4 13.7 73.7 111 116 A E G <4 S+ 0 0 105 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.458 112.6 39.4 -81.4 -4.6 4.3 12.8 70.0 112 117 A L T <4 S+ 0 0 2 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.1 0.684 109.7 53.8-114.0 -29.7 8.1 12.6 69.9 113 118 A T S < S+ 0 0 6 -4,-1.8 -3,-0.1 282,-0.0 -2,-0.1 0.353 86.2 102.5 -92.5 0.8 9.0 10.9 73.2 114 119 A G S S- 0 0 29 -4,-0.3 4,-0.1 -5,-0.2 -3,-0.0 -0.239 72.3-129.4 -74.2 172.8 6.8 7.8 72.8 115 120 A N S S+ 0 0 49 127,-0.1 128,-3.0 2,-0.1 3,-0.1 0.496 75.9 94.1-100.6 -10.7 8.1 4.4 71.8 116 121 A H S S- 0 0 151 126,-0.2 125,-0.1 1,-0.2 -2,-0.1 -0.319 94.8 -60.8 -82.4 164.9 5.6 3.7 69.0 117 122 A P + 0 0 54 0, 0.0 2,-0.3 0, 0.0 125,-0.2 -0.247 61.5 167.8 -51.1 125.7 6.3 4.4 65.3 118 123 A R E -J 241 0C 20 123,-2.2 123,-4.0 -3,-0.1 -6,-0.0 -0.978 47.3 -84.4-136.5 143.9 6.9 8.1 64.6 119 124 A N E > -J 240 0C 51 -2,-0.3 3,-1.4 121,-0.3 121,-0.3 -0.278 30.6-144.0 -51.8 121.5 8.3 9.6 61.4 120 125 A a G > S+ 0 0 0 119,-1.9 3,-1.5 1,-0.3 4,-0.3 0.836 97.9 61.2 -54.7 -35.8 12.1 9.6 61.4 121 126 A D G > S+ 0 0 39 118,-0.5 3,-0.7 1,-0.3 4,-0.4 0.629 84.4 75.1 -76.4 -10.8 12.1 12.9 59.7 122 127 A K G < S+ 0 0 79 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.648 96.3 53.5 -68.0 -12.5 10.3 14.7 62.5 123 128 A F G X S+ 0 0 0 -3,-1.5 3,-1.7 -4,-0.2 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17.1-128.2 -74.4 155.0 34.5 22.9 56.9 134 139 A T E -I 141 0B 61 7,-2.9 7,-3.0 -2,-0.1 2,-0.6 -0.943 20.9-156.9-104.5 121.4 37.2 25.6 56.6 135 140 A R E +I 140 0B 132 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.910 18.2 171.2-103.8 118.7 39.4 25.1 53.5 136 141 A L - 0 0 92 3,-2.8 3,-0.2 -2,-0.6 -2,-0.0 -0.598 47.1 -98.7-113.6 176.2 42.9 26.6 53.7 137 142 A S S S+ 0 0 127 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.951 121.1 30.0 -60.3 -48.3 45.9 26.3 51.4 138 143 A D S S- 0 0 81 1,-0.1 -55,-0.3 -57,-0.1 2,-0.3 0.443 127.7 -4.3 -93.1 -2.0 47.7 23.7 53.4 139 144 A C - 0 0 10 -3,-0.2 -3,-2.8 -58,-0.2 2,-0.4 -0.992 58.6-108.4-175.9 164.3 44.7 21.8 55.0 140 145 A I E -HI 80 135B 1 -60,-2.0 -60,-2.2 -2,-0.3 2,-0.5 -0.960 25.5-155.0-115.0 137.3 41.0 21.3 55.7 141 146 A K E -HI 79 134B 35 -7,-3.0 -7,-2.9 -2,-0.4 -62,-0.2 -0.961 8.9-169.1-114.7 128.5 39.4 21.9 59.1 142 147 A I E -H 78 0B 0 -64,-2.4 -64,-3.2 -2,-0.5 -9,-0.1 -0.962 25.2-117.8-121.2 127.6 36.2 20.1 60.2 143 148 A P E -H 77 0B 22 0, 0.0 -66,-0.2 0, 0.0 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S- 0 0 19 0, 0.0 -105,-0.2 0, 0.0 4,-0.0 0.011 87.9 -7.0 -46.1 124.6 6.6 25.5 75.0 154 159 A N T 34 S+ 0 0 97 -107,-3.3 -106,-0.1 1,-0.1 -3,-0.0 0.506 132.9 67.0 68.6 10.5 5.1 24.4 78.2 155 160 A Q T <4 S- 0 0 52 -3,-3.1 -110,-2.4 -108,-0.4 2,-0.3 0.696 98.6 -90.0-126.8 -46.2 6.3 20.9 77.6 156 161 A G E < -BE 44 152A 0 -4,-2.1 -4,-3.5 -112,-0.3 2,-0.3 -0.998 35.6 -68.2 161.5-159.3 10.1 20.6 77.8 157 162 A I E -BE 43 151A 0 -114,-1.5 -114,-3.1 -2,-0.3 2,-0.5 -0.986 20.2-155.7-138.1 136.7 13.5 20.7 76.1 158 163 A A E -BE 42 150A 0 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.6 -0.978 10.6-155.6-111.3 125.8 15.4 18.6 73.6 159 164 A I E -BE 41 149A 0 -118,-3.2 -118,-1.8 -2,-0.5 2,-0.5 -0.906 10.5-162.6 -98.5 117.5 19.1 18.7 73.6 160 165 A G E -BE 40 148A 0 -12,-3.6 -12,-2.2 -2,-0.6 2,-0.5 -0.868 6.0-171.5-103.4 124.1 20.6 17.8 70.2 161 166 A I E -BE 39 147A 8 -122,-3.3 -122,-2.7 -2,-0.5 2,-0.5 -0.966 4.9-176.0-124.8 121.8 24.2 16.8 70.0 162 167 A T E +BE 38 146A 0 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.3 -0.955 12.6 167.6-116.3 130.1 26.2 16.2 66.8 163 168 A N E -BE 37 145A 1 -126,-2.1 -126,-3.1 -2,-0.5 2,-0.4 -0.972 36.3-116.5-139.9 157.0 29.8 15.1 66.8 164 169 A H >> - 0 0 2 -20,-2.4 3,-1.5 -2,-0.3 4,-0.5 -0.737 27.8-130.6 -86.0 138.4 32.4 13.7 64.5 165 170 A H G >4 S+ 0 0 26 -2,-0.4 3,-0.8 -130,-0.3 -1,-0.1 0.805 104.2 67.4 -64.3 -28.1 33.5 10.2 65.4 166 171 A C G 34 S+ 0 0 1 -135,-0.3 -1,-0.3 1,-0.2 148,-0.2 0.741 87.7 69.6 -60.7 -25.0 37.2 11.2 65.3 167 172 A L G <4 S- 0 0 1 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.914 120.2 -66.9 -57.5 -43.1 36.6 13.4 68.3 168 173 A G << - 0 0 2 -3,-0.8 146,-0.3 -4,-0.5 -1,-0.3 -0.951 50.8 -85.2 167.2 173.5 36.1 10.2 70.5 169 174 A D > - 0 0 8 144,-1.4 4,-2.3 -2,-0.3 3,-0.2 -0.180 57.9 -77.5 -92.6-172.8 34.0 7.2 71.1 170 175 A A H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.879 131.2 55.3 -52.4 -40.5 30.9 6.6 73.3 171 176 A S H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 107.7 47.9 -63.2 -41.2 33.1 6.6 76.4 172 177 A T H > S+ 0 0 3 141,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.905 112.2 50.1 -65.1 -40.7 34.6 10.0 75.5 173 178 A R H X S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.917 110.3 50.5 -63.2 -42.8 31.1 11.4 74.9 174 179 A F H X S+ 0 0 17 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.898 109.2 50.4 -60.6 -46.1 29.9 10.0 78.2 175 180 A C H X S+ 0 0 12 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.900 112.0 47.8 -60.3 -46.7 32.9 11.6 80.1 176 181 A F H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.931 112.4 48.5 -57.6 -50.6 32.2 15.0 78.5 177 182 A L H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.843 107.7 54.9 -66.6 -35.8 28.4 14.8 79.3 178 183 A K H X S+ 0 0 60 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.936 113.4 42.9 -55.6 -48.6 29.0 13.8 82.9 179 184 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.925 114.2 49.3 -66.4 -47.0 31.2 16.9 83.4 180 185 A W H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.942 114.2 44.7 -60.9 -50.0 29.0 19.3 81.5 181 186 A T H X S+ 0 0 4 -4,-2.5 4,-3.7 2,-0.2 5,-0.2 0.874 112.9 51.2 -63.4 -41.7 25.8 18.2 83.4 182 187 A S H X S+ 0 0 15 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.939 112.3 47.1 -57.4 -47.4 27.7 18.3 86.8 183 188 A I H <>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 6,-1.6 0.879 117.6 43.4 -63.4 -38.2 28.9 21.8 85.9 184 189 A A H ><5S+ 0 0 17 -4,-2.4 3,-1.5 4,-0.2 4,-0.4 0.936 112.4 50.6 -69.3 -52.1 25.3 22.7 84.9 185 190 A R H 3<5S+ 0 0 128 -4,-3.7 -2,-0.2 202,-0.3 -1,-0.2 0.801 107.7 55.2 -56.9 -35.5 23.5 21.0 87.9 186 191 A S T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -5,-0.2 5,-0.1 -0.036 129.3 -90.5 -95.4 30.4 25.8 22.8 90.3 187 192 A G T < 5S- 0 0 58 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.2 0.855 81.2 -50.9 69.5 40.8 25.0 26.3 89.0 188 193 A N S + 0 0 22 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.251 68.7 101.6 -96.7 12.2 33.3 23.1 88.0 191 196 A E H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.939 85.1 42.4 -56.8 -55.1 34.2 22.8 91.7 192 197 A S H >>S+ 0 0 53 -3,-0.3 4,-2.5 1,-0.2 5,-0.8 0.837 115.8 50.9 -64.4 -35.0 32.3 19.6 92.2 193 198 A F H >5S+ 0 0 6 -4,-0.3 4,-1.3 3,-0.2 -2,-0.2 0.925 110.7 47.3 -68.9 -45.5 33.7 18.2 88.9 194 199 A L H <5S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.780 120.5 39.5 -66.2 -26.4 37.3 19.1 89.8 195 200 A A H <5S+ 0 0 73 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.866 137.3 9.0 -89.2 -43.8 36.9 17.5 93.2 196 201 A N H <5S+ 0 0 134 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.645 104.6 96.4-115.6 -23.1 34.8 14.4 92.5 197 202 A G S < + 0 0 82 -2,-0.6 4,-2.3 1,-0.1 3,-0.5 -0.583 19.5 168.8-134.4 69.9 51.4 2.1 67.2 209 214 A P H > S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.734 75.9 58.0 -60.3 -26.8 52.6 4.3 64.4 210 215 A M H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.923 110.3 44.4 -70.0 -40.7 52.8 1.5 61.8 211 216 A L H > S+ 0 0 41 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.910 110.3 56.5 -62.4 -44.2 49.1 0.8 62.4 212 217 A D H X S+ 0 0 13 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.931 108.8 46.1 -49.7 -51.1 48.5 4.6 62.3 213 218 A E H X S+ 0 0 49 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.864 112.8 49.3 -64.7 -37.9 50.1 4.7 58.8 214 219 A A H X S+ 0 0 57 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.845 110.0 50.4 -70.3 -36.6 48.1 1.7 57.6 215 220 A Y H X S+ 0 0 22 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.860 109.9 50.5 -70.8 -36.5 44.8 3.0 58.8 216 221 A L H <>S+ 0 0 1 -4,-1.8 5,-1.0 -5,-0.2 -2,-0.2 0.888 108.2 52.3 -66.9 -42.6 45.3 6.4 57.1 217 222 A K H ><5S+ 0 0 126 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.936 109.3 50.5 -58.4 -47.4 46.2 4.7 53.8 218 223 A R H 3<5S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.879 109.1 50.9 -55.9 -41.9 42.9 2.7 54.1 219 224 A A T 3<5S- 0 0 6 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.285 109.8-127.4 -84.7 11.8 41.0 5.9 54.7 220 225 A K T X 5 + 0 0 70 -3,-1.6 3,-0.6 1,-0.1 4,-0.2 0.899 36.7 177.1 43.3 68.9 42.6 7.6 51.6 221 226 A V G >> S+ 0 0 27 -3,-0.6 4,-2.2 1,-0.1 -1,-0.2 0.295 92.5 102.7-106.8 6.7 42.2 12.6 48.3 224 229 A F H <> S+ 0 0 2 -3,-0.5 4,-2.7 -4,-0.2 -2,-0.1 0.907 78.3 52.1 -57.0 -49.1 40.3 13.5 51.6 225 230 A N H < S+ 0 0 32 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.881 116.2 40.8 -53.7 -44.4 40.3 17.2 51.0 226 231 A E H 4 S+ 0 0 161 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.784 120.2 43.9 -75.7 -33.7 38.8 16.7 47.5 227 232 A D H < S+ 0 0 66 -4,-2.2 -2,-0.2 2,-0.0 -1,-0.2 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