==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUN-13 3WD7 . COMPND 2 MOLECULE: TYPE III POLYKETIDE SYNTHASES ACRIDONE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITRUS MICROCARPA; . AUTHOR T.MORI,Y.SHIMOKAWA,T.MATSUI,R.KATO,S.SUGIO,H.MORITA,I.ABE . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 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 . 42 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 0 0 2 4 2 2 1 3 1 2 1 2 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 3 4 2 0 0 2 2 4 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 . 2 2 0 0 0 0 0 2 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 -11 A M 0 0 157 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.2 33.1 27.5 58.7 2 -10 A R + 0 0 245 3,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.715 360.0 65.7 -81.1 129.2 35.3 24.8 60.1 3 -9 A G S S- 0 0 50 -2,-0.5 2,-0.3 2,-0.0 0, 0.0 -0.975 91.9 -34.4 156.0-166.0 34.4 21.4 58.6 4 -8 A S - 0 0 109 -2,-0.3 2,-0.4 1,-0.0 0, 0.0 -0.654 59.4-143.4 -85.8 144.5 34.3 19.4 55.4 5 -7 A H - 0 0 122 -2,-0.3 2,-0.2 0, 0.0 -3,-0.0 -0.913 17.0-173.9-114.8 139.9 33.6 21.5 52.4 6 -6 A H - 0 0 127 -2,-0.4 2,-0.3 1,-0.0 0, 0.0 -0.582 34.7 -95.3-107.3 179.3 31.6 20.6 49.3 7 -5 A H - 0 0 177 -2,-0.2 2,-0.4 0, 0.0 -1,-0.0 -0.730 27.9-159.9-109.4 152.0 31.3 22.8 46.2 8 -4 A H - 0 0 147 -2,-0.3 2,-0.2 0, 0.0 697,-0.0 -0.959 12.0-137.4-126.9 142.5 28.8 25.4 45.2 9 -3 A H - 0 0 136 -2,-0.4 696,-0.1 696,-0.1 695,-0.0 -0.568 37.2 -88.3 -90.7 161.4 28.1 26.9 41.7 10 -2 A H - 0 0 123 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.283 44.9-108.8 -68.0 150.2 27.4 30.6 41.0 11 -1 A G > - 0 0 52 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.104 40.1 -86.5 -68.9 179.1 23.9 32.0 41.3 12 0 A S H > S+ 0 0 25 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.872 120.7 50.6 -59.6 -43.3 21.8 33.2 38.3 13 1 A M H > S+ 0 0 166 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 116.0 40.6 -69.6 -41.9 23.0 36.8 37.9 14 2 A V H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 118.9 47.1 -68.0 -43.6 26.7 35.8 37.9 15 3 A T H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.928 112.7 48.2 -63.8 -45.8 26.1 32.8 35.7 16 4 A M H X S+ 0 0 27 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.922 114.4 47.4 -57.5 -46.5 23.8 34.6 33.2 17 5 A E H X S+ 0 0 63 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.870 110.9 49.9 -68.5 -37.2 26.3 37.4 32.9 18 6 A E H X S+ 0 0 103 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.906 110.9 50.3 -69.5 -38.3 29.3 35.1 32.5 19 7 A I H X S+ 0 0 31 -4,-2.5 4,-1.4 1,-0.2 3,-0.2 0.968 112.6 46.8 -59.3 -50.9 27.5 33.2 29.7 20 8 A R H X S+ 0 0 59 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.882 112.8 49.6 -60.9 -39.9 26.6 36.4 27.9 21 9 A R H < S+ 0 0 187 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 116.4 41.3 -66.2 -36.0 30.2 37.7 28.3 22 10 A A H < S+ 0 0 59 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.603 99.3 75.7 -88.7 -12.8 31.7 34.5 26.9 23 11 A K H < S+ 0 0 33 -4,-1.4 171,-3.2 -3,-0.3 -1,-0.1 0.826 79.5 71.9 -77.3 -29.8 29.3 33.8 24.1 24 12 A R < - 0 0 25 -4,-0.6 168,-0.2 169,-0.3 2,-0.2 -0.405 66.5-130.5 -97.5 156.4 30.2 36.2 21.3 25 13 A A - 0 0 3 166,-1.9 169,-0.1 169,-0.1 -1,-0.1 -0.523 18.6-138.5 -87.1 171.4 33.0 36.7 18.8 26 14 A E S S+ 0 0 133 -2,-0.2 -1,-0.1 2,-0.1 165,-0.1 0.855 70.0 48.2 -99.9 -47.0 34.6 40.1 18.4 27 15 A G S S- 0 0 23 1,-0.2 2,-0.1 395,-0.0 -2,-0.1 -0.130 91.0 -69.9 -92.7-172.8 35.2 40.8 14.7 28 16 A L - 0 0 10 1,-0.1 211,-0.5 210,-0.1 -1,-0.2 -0.461 55.5 -94.4 -76.9 147.4 33.2 40.6 11.5 29 17 A A - 0 0 0 222,-0.5 222,-3.2 209,-0.2 2,-0.4 -0.430 51.4-163.6 -56.4 131.1 32.2 37.4 9.8 30 18 A T E -AB 237 250A 2 207,-1.7 207,-2.3 220,-0.2 2,-0.5 -0.974 21.7-125.8-127.9 138.9 35.0 36.6 7.3 31 19 A I E +AB 236 249A 0 218,-3.1 217,-3.1 -2,-0.4 218,-1.0 -0.716 28.7 175.1 -82.4 124.9 35.2 34.2 4.4 32 20 A L E + 0 0 2 203,-3.3 214,-0.4 -2,-0.5 2,-0.3 0.539 61.9 7.8-108.2 -15.1 38.3 32.0 4.9 33 21 A A E -A 235 0A 0 202,-0.8 202,-1.4 212,-0.1 2,-0.3 -0.954 55.1-163.6-165.5 149.3 37.9 29.6 1.9 34 22 A I E +A 234 0A 2 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.993 13.1 170.6-140.1 132.1 35.9 29.1 -1.2 35 23 A S E -A 233 0A 12 198,-2.2 198,-2.8 -2,-0.3 2,-0.3 -0.987 10.5-161.0-141.5 153.9 35.5 25.9 -3.4 36 24 A T E -A 232 0A 25 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.854 4.4-172.1-131.8 162.1 33.2 24.9 -6.3 37 25 A A E -A 231 0A 4 194,-2.1 194,-2.8 -2,-0.3 84,-0.1 -0.981 1.0-175.5-153.5 145.7 32.1 21.7 -8.0 38 26 A T - 0 0 31 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.977 38.2 -95.2-137.0 152.7 30.1 20.8 -11.1 39 27 A P - 0 0 4 0, 0.0 43,-0.1 0, 0.0 190,-0.1 -0.359 36.6-122.1 -59.9 148.4 28.9 17.5 -12.6 40 28 A P S S+ 0 0 130 0, 0.0 2,-0.1 0, 0.0 43,-0.1 0.882 88.2 90.4 -61.7 -40.8 31.4 16.1 -15.2 41 29 A N - 0 0 62 41,-0.1 41,-2.0 40,-0.1 2,-0.4 -0.369 60.0-175.0 -64.9 132.6 28.8 16.1 -18.0 42 30 A C E -I 81 0B 50 39,-0.2 2,-0.5 -2,-0.1 39,-0.2 -0.973 16.5-152.9-133.1 138.2 28.7 19.3 -20.0 43 31 A V E -I 80 0B 20 37,-2.8 37,-1.8 -2,-0.4 2,-0.4 -0.965 19.0-131.7-113.2 129.7 26.4 20.6 -22.8 44 32 A I E > -I 79 0B 67 -2,-0.5 3,-1.3 35,-0.2 4,-0.5 -0.650 13.1-141.5 -76.4 126.8 27.6 23.2 -25.3 45 33 A Q G > S+ 0 0 6 33,-2.8 3,-0.9 -2,-0.4 -1,-0.1 0.825 98.8 62.7 -61.7 -34.1 25.0 25.9 -25.6 46 34 A A G 3 S+ 0 0 87 32,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.779 112.2 38.1 -62.2 -25.3 25.5 26.2 -29.4 47 35 A D G <> S+ 0 0 100 -3,-1.3 4,-2.0 1,-0.1 -1,-0.3 0.419 92.5 93.6-101.2 -3.1 24.3 22.6 -29.7 48 36 A Y H <> S+ 0 0 3 -3,-0.9 4,-3.9 -4,-0.5 5,-0.3 0.862 75.2 58.6 -69.6 -38.3 21.6 22.8 -27.0 49 37 A P H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.936 111.7 42.5 -55.6 -43.8 18.6 23.7 -29.2 50 38 A D H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.908 118.0 46.8 -66.2 -41.8 19.0 20.5 -31.3 51 39 A Y H X S+ 0 0 51 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.944 114.8 45.9 -64.8 -45.3 19.7 18.4 -28.2 52 40 A Y H X S+ 0 0 0 -4,-3.9 4,-1.3 1,-0.2 -2,-0.2 0.926 115.0 43.8 -68.2 -47.6 16.8 19.8 -26.3 53 41 A F H <>S+ 0 0 0 -4,-2.5 5,-3.1 -5,-0.3 6,-0.4 0.795 116.1 50.8 -72.4 -23.7 14.1 19.5 -29.0 54 42 A G H ><5S+ 0 0 23 -4,-1.6 3,-2.0 -5,-0.3 -2,-0.2 0.954 108.6 47.2 -71.7 -52.4 15.4 16.1 -29.9 55 43 A I H 3<5S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.762 113.8 49.6 -66.8 -21.9 15.4 14.5 -26.4 56 44 A T T 3<5S- 0 0 10 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.233 111.8-121.3 -98.8 12.5 11.9 15.8 -25.7 57 45 A N T < 5S+ 0 0 131 -3,-2.0 -3,-0.2 1,-0.1 3,-0.1 0.894 76.1 125.1 51.3 48.8 10.6 14.5 -29.1 58 46 A S > < + 0 0 17 -5,-3.1 3,-2.2 -6,-0.1 7,-0.2 0.021 15.5 126.6-127.3 25.0 9.6 17.9 -30.2 59 47 A E T 3 S+ 0 0 95 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.686 73.1 59.9 -55.7 -23.7 11.5 18.1 -33.5 60 48 A H T 3 S+ 0 0 175 1,-0.2 2,-2.0 -7,-0.1 3,-0.3 0.567 79.7 85.1 -83.6 -14.3 8.2 19.0 -35.2 61 49 A M <> + 0 0 46 -3,-2.2 4,-2.5 1,-0.2 -1,-0.2 -0.458 55.9 156.6 -82.2 64.5 7.7 22.1 -33.1 62 50 A T H > + 0 0 102 -2,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.826 65.2 51.4 -65.4 -36.6 9.9 24.0 -35.6 63 51 A E H > S+ 0 0 126 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.958 113.1 43.8 -66.1 -50.0 8.5 27.4 -34.8 64 52 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 110.8 56.4 -58.6 -43.1 9.1 27.1 -31.0 65 53 A K H X S+ 0 0 50 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.859 104.0 53.2 -60.6 -35.3 12.6 25.6 -31.7 66 54 A E H X S+ 0 0 103 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.898 109.9 47.9 -69.3 -38.4 13.5 28.6 -33.7 67 55 A K H X S+ 0 0 96 -4,-1.7 4,-2.1 2,-0.2 3,-0.4 0.936 110.1 51.9 -62.1 -46.4 12.6 30.8 -30.8 68 56 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 -2,-0.2 0.855 104.2 58.2 -59.7 -35.4 14.5 28.6 -28.3 69 57 A K H X S+ 0 0 90 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.887 106.9 47.1 -61.3 -39.3 17.5 29.0 -30.6 70 58 A L H X S+ 0 0 91 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.882 110.3 53.0 -69.8 -37.9 17.3 32.8 -30.2 71 59 A L H X S+ 0 0 48 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.949 111.4 45.6 -61.0 -46.9 17.0 32.4 -26.4 72 60 A C H <>S+ 0 0 6 -4,-2.8 5,-0.5 1,-0.2 4,-0.3 0.840 113.2 49.8 -67.5 -31.8 20.1 30.2 -26.3 73 61 A E H ><5S+ 0 0 114 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.830 114.5 44.1 -74.9 -33.2 22.1 32.5 -28.5 74 62 A K H 3<5S+ 0 0 152 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.583 91.9 86.6 -82.7 -12.0 21.1 35.6 -26.4 75 63 A S T 3<5S- 0 0 2 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.1 0.702 85.4-140.7 -64.2 -22.7 21.8 33.7 -23.1 76 64 A M T < 5 + 0 0 117 -3,-0.5 2,-0.4 -4,-0.3 271,-0.1 0.826 59.1 132.4 59.6 32.1 25.5 34.7 -23.2 77 65 A I < - 0 0 11 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.966 38.2-175.8-112.5 130.8 26.1 31.2 -21.9 78 66 A R - 0 0 133 266,-2.9 -33,-2.8 -2,-0.4 -32,-0.5 0.910 68.6 -7.2 -89.3 -48.9 28.8 29.0 -23.5 79 67 A K E -I 44 0B 22 265,-1.4 2,-0.3 -35,-0.2 -1,-0.3 -0.969 56.3-156.5-147.6 159.5 28.4 25.8 -21.6 80 68 A R E -I 43 0B 2 -37,-1.8 -37,-2.8 -2,-0.3 2,-0.4 -0.983 15.8-133.2-137.7 146.4 26.5 24.3 -18.7 81 69 A H E +I 42 0B 23 265,-0.5 148,-2.6 148,-0.4 2,-0.4 -0.856 28.3 179.0-102.0 138.7 27.1 21.3 -16.4 82 70 A M - 0 0 7 -41,-2.0 -41,-0.1 -2,-0.4 123,-0.1 -0.971 35.4-155.9-147.2 125.1 24.2 18.9 -15.8 83 71 A C S S+ 0 0 24 -2,-0.4 2,-0.3 -43,-0.1 -1,-0.1 0.848 81.3 92.2 -57.6 -35.9 23.8 15.7 -13.8 84 72 A L - 0 0 4 -3,-0.1 2,-0.3 -43,-0.1 -2,-0.1 -0.474 63.4-172.7 -68.4 121.4 20.9 15.0 -16.2 85 73 A T > - 0 0 41 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.724 40.2-108.0-111.8 164.7 22.1 13.0 -19.1 86 74 A E H > S+ 0 0 111 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.862 121.0 55.7 -52.2 -40.6 20.5 11.9 -22.4 87 75 A E H > S+ 0 0 162 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.873 107.8 46.6 -65.7 -40.4 20.4 8.4 -20.9 88 76 A I H 4 S+ 0 0 45 -3,-0.2 3,-0.3 2,-0.2 4,-0.3 0.924 112.3 50.1 -68.6 -42.3 18.5 9.5 -17.8 89 77 A L H >< S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.2 7,-0.2 0.891 105.7 55.3 -66.7 -38.7 16.0 11.5 -19.8 90 78 A K H 3< S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.9 50.9 -62.5 -31.7 15.2 8.6 -22.3 91 79 A A T 3< S+ 0 0 75 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.475 111.1 51.9 -81.6 -5.5 14.4 6.4 -19.3 92 80 A N X> + 0 0 37 -3,-1.5 3,-1.5 -4,-0.3 4,-0.7 -0.576 58.1 166.2-132.2 70.2 12.0 9.1 -17.9 93 81 A P H >> S+ 0 0 87 0, 0.0 3,-1.1 0, 0.0 4,-1.0 0.837 76.8 63.6 -54.7 -33.5 9.6 10.1 -20.7 94 82 A N H 34 S+ 0 0 77 1,-0.3 6,-0.6 2,-0.2 8,-0.1 0.774 98.4 53.8 -63.6 -27.8 7.4 11.9 -18.1 95 83 A M H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -6,-0.2 117,-0.2 0.692 105.2 56.5 -74.6 -19.5 10.3 14.4 -17.4 96 84 A C H << S+ 0 0 14 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.703 91.1 84.6 -88.0 -21.9 10.4 15.1 -21.1 97 85 A L S < S- 0 0 95 -4,-1.0 115,-2.0 114,-0.1 3,-0.2 -0.276 90.9-117.6 -64.5 163.9 6.7 16.1 -21.3 98 86 A Y S S+ 0 0 37 113,-0.2 -1,-0.1 115,-0.2 116,-0.1 0.919 108.3 9.5 -72.3 -41.4 6.0 19.7 -20.3 99 87 A M S S+ 0 0 94 112,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.208 88.2 157.0-133.3 46.3 3.8 18.7 -17.4 100 88 A G - 0 0 4 -6,-0.6 2,-0.7 -3,-0.2 3,-0.1 -0.458 55.5-102.8 -73.6 143.1 4.4 14.9 -16.9 101 89 A T S S+ 0 0 60 1,-0.2 172,-0.2 -2,-0.1 -7,-0.1 -0.534 76.1 127.3 -63.0 106.2 3.8 13.3 -13.5 102 90 A S > + 0 0 2 170,-2.5 4,-2.1 -2,-0.7 171,-0.2 0.292 16.5 111.7-155.0 6.7 7.4 13.0 -12.6 103 91 A L H > S+ 0 0 6 169,-2.1 4,-3.2 2,-0.2 5,-0.2 0.926 82.9 52.9 -62.4 -42.5 8.2 14.4 -9.2 104 92 A D H > S+ 0 0 32 1,-0.2 4,-2.5 168,-0.2 -1,-0.2 0.932 111.0 46.1 -61.3 -44.6 9.0 11.0 -7.6 105 93 A A H > S+ 0 0 28 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.874 114.2 49.3 -63.9 -39.2 11.5 10.1 -10.4 106 94 A R H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 3,-0.3 0.928 111.5 48.5 -64.9 -46.6 13.1 13.6 -10.1 107 95 A Q H X S+ 0 0 6 -4,-3.2 4,-2.5 1,-0.2 5,-0.4 0.913 103.4 60.8 -59.2 -43.7 13.4 13.3 -6.3 108 96 A D H < S+ 0 0 96 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.855 116.4 32.9 -58.6 -32.7 14.9 9.9 -6.4 109 97 A I H >X S+ 0 0 43 -4,-1.1 4,-2.1 -3,-0.3 3,-0.6 0.908 120.1 48.0 -85.2 -45.3 17.8 11.3 -8.4 110 98 A S H 3X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -3,-0.2 0.875 102.4 59.1 -71.4 -39.5 18.1 14.8 -7.0 111 99 A L H 3< S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.1 0.763 113.9 40.4 -65.5 -23.0 18.0 14.0 -3.2 112 100 A V H <> S+ 0 0 99 -3,-0.6 4,-1.4 -5,-0.4 -1,-0.2 0.879 116.5 49.4 -85.4 -43.4 21.1 11.9 -3.7 113 101 A E H X S+ 0 0 20 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.838 101.1 63.0 -65.6 -38.9 22.9 14.3 -6.1 114 102 A V H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.950 111.0 34.3 -58.2 -55.1 22.5 17.5 -4.1 115 103 A P H > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.838 116.1 58.7 -72.2 -25.3 24.5 16.4 -1.0 116 104 A K H X S+ 0 0 133 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.957 110.7 39.3 -64.1 -51.9 26.9 14.4 -3.2 117 105 A L H X S+ 0 0 7 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.904 115.3 55.0 -65.1 -37.7 27.9 17.4 -5.3 118 106 A G H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.892 104.1 54.7 -61.3 -38.9 27.9 19.5 -2.2 119 107 A K H X S+ 0 0 67 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.902 103.7 54.5 -62.1 -42.2 30.3 17.1 -0.5 120 108 A E H X S+ 0 0 89 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.910 113.4 42.1 -58.4 -43.4 32.8 17.5 -3.4 121 109 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 112,-0.2 0.907 113.9 51.8 -71.2 -40.7 32.8 21.3 -2.9 122 110 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.927 105.9 53.9 -61.1 -46.7 32.9 21.1 0.9 123 111 A T H X S+ 0 0 68 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.936 110.5 47.1 -56.8 -44.8 35.9 18.7 0.9 124 112 A K H X S+ 0 0 87 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.881 111.4 50.8 -63.0 -40.5 37.9 21.2 -1.2 125 113 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.900 110.4 48.8 -66.4 -41.2 36.9 24.2 0.9 126 114 A I H X S+ 0 0 22 -4,-2.7 4,-2.9 2,-0.2 5,-0.5 0.898 110.3 52.7 -62.5 -39.3 38.0 22.4 4.1 127 115 A K H < S+ 0 0 176 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.901 109.9 47.0 -65.5 -42.7 41.3 21.5 2.4 128 116 A E H < S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.931 111.1 52.5 -60.3 -46.8 41.9 25.1 1.5 129 117 A W H < S- 0 0 9 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.926 95.3-152.8 -55.5 -49.4 41.0 26.2 5.0 130 118 A G < + 0 0 55 -4,-2.9 -3,-0.1 1,-0.3 -1,-0.1 0.473 49.1 118.0 93.6 1.0 43.5 23.7 6.4 131 119 A Q S S- 0 0 40 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.1 -0.652 75.1 -90.3 -99.9 157.3 41.9 23.0 9.7 132 120 A P > - 0 0 70 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.437 33.1-125.5 -65.9 142.9 40.5 19.7 11.0 133 121 A K G > S+ 0 0 95 1,-0.3 3,-1.6 2,-0.2 30,-0.4 0.643 105.8 75.1 -65.1 -15.0 36.8 19.3 10.1 134 122 A S G 3 S+ 0 0 61 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.625 84.8 66.2 -72.4 -11.3 36.1 18.7 13.8 135 123 A N G < S+ 0 0 73 -3,-2.2 2,-0.6 61,-0.0 -1,-0.3 0.443 75.3 105.7 -87.4 -1.0 36.6 22.5 14.3 136 124 A I < + 0 0 0 -3,-1.6 27,-0.4 1,-0.2 62,-0.2 -0.726 40.4 170.7 -80.1 119.2 33.5 23.1 12.2 137 125 A T + 0 0 46 60,-1.9 30,-2.9 -2,-0.6 2,-0.3 0.670 60.4 39.1-102.3 -22.3 30.7 24.2 14.6 138 126 A H E -cd 167 198A 4 59,-1.9 61,-3.0 28,-0.2 2,-0.4 -0.963 57.8-166.8-133.8 145.7 28.0 25.3 12.2 139 127 A L E -cd 168 199A 0 28,-2.5 30,-2.3 -2,-0.3 2,-0.5 -0.995 0.4-171.6-133.4 128.2 26.7 24.1 8.8 140 128 A I E -cd 169 200A 0 59,-2.7 61,-3.1 -2,-0.4 2,-0.4 -0.990 9.1-170.4-112.4 123.3 24.4 25.9 6.5 141 129 A F E -cd 170 201A 0 28,-2.1 30,-3.4 -2,-0.5 2,-0.4 -0.962 2.7-173.2-115.7 134.7 23.1 23.9 3.6 142 130 A C E +cd 171 202A 0 59,-2.4 61,-2.1 -2,-0.4 2,-0.3 -0.989 16.2 142.2-130.3 123.3 21.2 25.6 0.7 143 131 A T E -c 172 0A 0 28,-1.7 30,-2.1 -2,-0.4 31,-0.3 -0.987 32.0-171.6-153.8 153.3 19.4 24.0 -2.2 144 132 A S S S+ 0 0 7 -2,-0.3 3,-0.1 59,-0.3 60,-0.1 0.126 73.4 90.4-121.7 18.1 16.3 24.5 -4.3 145 133 A A S S- 0 0 1 58,-0.4 2,-0.1 1,-0.3 -31,-0.1 0.297 99.6 -18.8-100.7 6.1 16.7 21.1 -6.2 146 134 A G - 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