==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-SEP-10 3OV3 . COMPND 2 MOLECULE: CURCUMIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURCUMA LONGA; . AUTHOR Y.KATSUYAMA,K.MIYAZONO,M.TANOKURA,Y.OHNISHI,S.HORINOUCHI . 1556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1132 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 80 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 482 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 1 1 6 4 9 7 4 3 1 3 3 5 1 0 0 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 4 4 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 . 5 7 3 1 0 4 7 5 4 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 . 4 4 0 0 0 0 0 4 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 5 A H > 0 0 131 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -60.7 24.0 -51.5 -34.1 2 6 A A H > + 0 0 75 2,-0.2 4,-1.2 1,-0.1 5,-0.1 0.879 360.0 44.9 -64.5 -41.2 20.6 -52.5 -32.6 3 7 A L H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.923 111.2 54.6 -63.4 -48.1 20.4 -48.9 -31.3 4 8 A R H > S+ 0 0 9 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.914 106.1 50.1 -53.2 -48.3 21.6 -47.6 -34.7 5 9 A R H < S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 115.0 43.9 -65.0 -33.0 18.8 -49.4 -36.7 6 10 A E H < S+ 0 0 127 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.903 109.5 52.5 -78.4 -44.8 16.1 -48.0 -34.4 7 11 A Q H < S+ 0 0 91 -4,-2.5 171,-2.5 -5,-0.1 2,-0.2 0.527 97.9 84.9 -74.4 -5.9 17.2 -44.4 -34.0 8 12 A R S < S- 0 0 33 -4,-0.7 168,-0.2 169,-0.3 169,-0.2 -0.673 79.3-112.8-101.4 153.4 17.4 -43.9 -37.8 9 13 A A - 0 0 2 166,-0.9 169,-0.1 -2,-0.2 -1,-0.1 -0.234 17.5-145.4 -71.5 168.6 14.8 -43.0 -40.5 10 14 A Q + 0 0 139 167,-0.1 -1,-0.1 2,-0.1 165,-0.1 0.802 68.8 37.0-106.8 -39.2 13.7 -45.5 -43.2 11 15 A G S S- 0 0 1 1,-0.2 380,-0.1 383,-0.1 2,-0.1 -0.366 93.4 -63.7-111.7-174.2 13.0 -43.6 -46.4 12 16 A P - 0 0 8 0, 0.0 211,-0.3 0, 0.0 -1,-0.2 -0.377 55.6 -92.7 -76.9 151.5 14.4 -40.6 -48.3 13 17 A A - 0 0 0 222,-0.3 222,-2.4 209,-0.2 2,-0.4 -0.295 46.6-156.2 -51.5 142.4 14.5 -36.9 -47.1 14 18 A T E -AB 221 234A 2 207,-1.1 207,-2.0 220,-0.2 2,-0.7 -0.968 19.6-131.9-132.4 135.7 11.4 -35.0 -48.3 15 19 A I E +AB 220 233A 0 218,-2.4 217,-2.7 -2,-0.4 218,-1.2 -0.829 30.8 176.0 -85.5 122.4 10.7 -31.4 -48.9 16 20 A M E + 0 0 3 203,-3.3 214,-0.3 -2,-0.7 2,-0.3 0.585 56.4 1.7-107.4 -13.8 7.4 -30.9 -47.1 17 21 A A E -A 219 0A 0 202,-0.5 202,-1.1 2,-0.0 2,-0.4 -0.936 56.9-148.1-172.6 146.5 6.7 -27.2 -47.4 18 22 A I E +A 218 0A 7 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.996 14.7 178.4-131.6 131.1 8.2 -24.0 -48.9 19 23 A G E -A 217 0A 4 198,-2.4 198,-3.7 -2,-0.4 2,-0.3 -0.972 2.8-175.2-126.7 146.7 8.0 -20.4 -47.7 20 24 A T E +A 216 0A 24 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.959 3.0 176.9-134.3 156.6 9.5 -17.2 -49.0 21 25 A A E -A 215 0A 8 194,-2.1 194,-3.1 -2,-0.3 84,-0.1 -0.987 6.6-169.6-152.9 156.7 9.7 -13.5 -47.9 22 26 A T - 0 0 43 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.961 38.8 -88.6-137.3 160.1 11.2 -10.2 -49.0 23 27 A P - 0 0 8 0, 0.0 44,-0.1 0, 0.0 -1,-0.1 -0.168 44.1-115.5 -53.9 166.0 11.6 -6.7 -47.4 24 28 A P S S+ 0 0 122 0, 0.0 2,-0.9 0, 0.0 43,-0.1 0.417 84.3 101.1 -91.4 3.7 8.6 -4.4 -48.1 25 29 A N E -I 66 0B 50 41,-0.5 41,-1.5 43,-0.0 2,-0.4 -0.793 60.8-152.7 -98.7 105.3 10.4 -1.8 -50.2 26 30 A L E -I 65 0B 91 -2,-0.9 2,-0.5 39,-0.2 39,-0.2 -0.592 8.0-166.3 -68.2 127.0 9.8 -2.3 -53.9 27 31 A Y E -I 64 0B 24 37,-2.9 37,-2.3 -2,-0.4 2,-0.4 -0.954 9.9-149.6-119.0 112.2 12.6 -1.0 -56.1 28 32 A E E >> -I 63 0B 104 -2,-0.5 3,-1.3 35,-0.2 4,-0.6 -0.662 9.6-140.8 -80.3 130.9 11.7 -0.7 -59.7 29 33 A Q G >4 S+ 0 0 8 33,-2.9 3,-0.5 -2,-0.4 -1,-0.1 0.816 97.8 61.5 -64.7 -32.8 14.6 -1.2 -62.1 30 34 A S G 34 S+ 0 0 85 32,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.685 116.2 31.1 -66.7 -23.2 13.5 1.5 -64.5 31 35 A T G <> S+ 0 0 70 -3,-1.3 4,-1.9 2,-0.1 -1,-0.2 0.303 94.8 93.1-114.9 5.2 13.8 4.2 -61.8 32 36 A F H S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.867 109.9 47.4 -54.5 -35.5 19.4 4.6 -61.7 34 38 A D H > S+ 0 0 58 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.890 115.0 42.6 -73.5 -43.3 17.7 7.7 -60.5 35 39 A F H X S+ 0 0 32 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.961 115.0 50.0 -66.7 -52.1 17.3 6.7 -56.9 36 40 A Y H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.887 115.0 41.8 -56.2 -47.4 20.8 5.2 -56.7 37 41 A F H <>S+ 0 0 0 -4,-1.8 5,-3.2 -5,-0.3 6,-0.4 0.826 117.3 48.0 -74.0 -32.7 22.6 8.3 -58.1 38 42 A R H ><5S+ 0 0 110 -4,-1.6 3,-1.9 3,-0.2 5,-0.2 0.984 114.9 41.8 -69.5 -57.2 20.5 10.8 -56.2 39 43 A V H 3<5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.697 113.3 51.6 -71.2 -18.4 20.7 9.2 -52.7 40 44 A T T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 0.318 115.4-117.0 -93.0 11.0 24.4 8.4 -53.0 41 45 A N T < 5S+ 0 0 142 -3,-1.9 3,-0.2 1,-0.1 -3,-0.2 0.873 77.1 128.4 60.8 43.7 25.0 12.1 -54.0 42 46 A S > < + 0 0 3 -5,-3.2 3,-1.9 -6,-0.2 -4,-0.2 0.077 17.9 119.3-120.2 23.3 26.3 11.1 -57.3 43 47 A D T 3 S+ 0 0 74 -6,-0.4 3,-0.2 1,-0.3 -1,-0.2 0.566 71.7 64.1 -64.8 -12.5 24.2 13.3 -59.6 44 48 A D T 3 S+ 0 0 137 -3,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.399 86.7 75.7 -89.4 2.1 27.4 15.0 -60.8 45 49 A K <> + 0 0 38 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 -0.498 56.6 151.7-104.8 62.2 28.5 11.7 -62.3 46 50 A Q H > + 0 0 106 -2,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.827 68.1 51.2 -70.5 -31.8 26.1 11.8 -65.3 47 51 A E H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.957 112.8 45.4 -71.7 -47.0 28.2 9.8 -67.7 48 52 A L H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.873 113.1 53.4 -57.1 -37.6 28.6 7.0 -65.2 49 53 A K H X S+ 0 0 21 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 106.8 49.0 -64.9 -47.2 24.9 7.3 -64.4 50 54 A K H X S+ 0 0 130 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.862 112.5 49.9 -60.2 -35.7 23.9 6.9 -68.1 51 55 A K H X S+ 0 0 96 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.865 108.4 53.1 -69.3 -38.8 26.2 3.8 -68.2 52 56 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.868 105.5 54.5 -61.5 -37.0 24.5 2.6 -65.1 53 57 A R H X S+ 0 0 74 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.901 108.8 47.1 -65.5 -42.3 21.1 3.0 -66.8 54 58 A R H X S+ 0 0 137 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.974 111.4 50.7 -65.9 -53.2 22.2 0.8 -69.8 55 59 A M H X S+ 0 0 28 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.885 109.7 51.7 -47.3 -46.6 23.6 -1.9 -67.4 56 60 A C H ><>S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 5,-0.6 0.918 108.5 50.2 -59.8 -43.6 20.3 -1.9 -65.5 57 61 A E H ><5S+ 0 0 111 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.865 111.8 48.6 -64.0 -37.7 18.3 -2.4 -68.7 58 62 A K H 3<5S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.614 93.6 72.9 -79.2 -15.2 20.5 -5.3 -69.8 59 63 A T T <<5S- 0 0 24 -4,-1.0 244,-0.4 -3,-0.6 -1,-0.2 0.696 94.9-140.1 -68.6 -15.6 20.4 -7.1 -66.4 60 64 A M T < 5 + 0 0 88 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.1 0.619 53.9 140.7 59.1 16.9 16.8 -8.0 -67.4 61 65 A V < - 0 0 9 -5,-0.6 -1,-0.2 1,-0.2 267,-0.2 -0.719 30.0-178.3 -86.4 136.9 15.7 -7.3 -63.8 62 66 A K + 0 0 132 266,-3.3 -33,-2.9 1,-0.4 -32,-0.4 0.778 65.8 0.2 -98.1 -45.3 12.3 -5.6 -63.4 63 67 A K E -I 28 0B 58 265,-1.5 -1,-0.4 -35,-0.2 2,-0.3 -0.994 55.4-174.2-144.7 150.2 12.1 -5.3 -59.6 64 68 A R E -I 27 0B 3 -37,-2.3 -37,-2.9 -2,-0.3 2,-0.5 -0.932 21.1-131.7-131.7 163.3 14.0 -6.1 -56.5 65 69 A Y E -I 26 0B 44 265,-0.4 148,-2.7 148,-0.3 2,-0.4 -0.979 26.6-178.4-115.1 125.5 13.2 -5.8 -52.7 66 70 A L E -I 25 0B 5 -41,-1.5 -41,-0.5 -2,-0.5 123,-0.1 -0.934 31.9-147.6-123.0 145.7 15.7 -4.2 -50.4 67 71 A H S S+ 0 0 34 -2,-0.4 -1,-0.1 -44,-0.1 122,-0.0 0.891 80.2 90.8 -71.1 -43.3 15.7 -3.6 -46.7 68 72 A L + 0 0 4 -3,-0.1 2,-0.3 4,-0.1 -2,-0.2 -0.180 56.6 179.8 -50.4 141.3 17.7 -0.4 -47.3 69 73 A T > - 0 0 21 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.886 45.8-102.6-134.5 166.6 15.9 2.9 -47.8 70 74 A E H > S+ 0 0 47 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.847 122.0 60.0 -52.5 -39.5 16.8 6.5 -48.4 71 75 A E H > S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 105.5 46.6 -58.5 -43.5 16.1 7.1 -44.7 72 76 A I H > S+ 0 0 31 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.925 111.3 51.8 -70.6 -39.7 18.7 4.5 -43.7 73 77 A L H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.1 48.2 -64.3 -36.3 21.3 6.0 -46.1 74 78 A K H < S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.862 111.6 51.1 -69.6 -31.0 20.8 9.6 -44.8 75 79 A E H < S+ 0 0 34 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.660 126.1 23.5 -81.0 -19.0 21.1 8.4 -41.1 76 80 A R S >< S+ 0 0 36 -4,-1.1 3,-1.7 -3,-0.2 -1,-0.3 -0.623 71.6 177.0-145.9 72.2 24.3 6.5 -41.7 77 81 A P G >> + 0 0 60 0, 0.0 3,-2.3 0, 0.0 4,-0.7 0.692 68.2 79.4 -64.7 -14.1 25.9 8.1 -44.8 78 82 A K G >4 S+ 0 0 120 1,-0.3 3,-0.6 2,-0.2 6,-0.1 0.828 77.8 73.1 -62.3 -29.2 29.1 5.9 -44.6 79 83 A L G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.2 117,-0.2 0.735 97.0 52.5 -47.5 -25.7 27.0 3.2 -46.2 80 84 A C G <4 S+ 0 0 21 -3,-2.3 116,-1.8 -4,-0.2 -1,-0.2 0.783 83.2 98.2 -84.9 -32.5 27.4 5.4 -49.3 81 85 A S << - 0 0 35 -4,-0.7 115,-0.1 -3,-0.6 5,-0.0 -0.309 66.6-147.6 -54.1 136.2 31.2 5.8 -49.3 82 86 A Y S S+ 0 0 92 113,-0.2 -1,-0.1 115,-0.1 116,-0.1 0.765 86.7 5.7 -82.1 -23.2 32.7 3.3 -51.7 83 87 A K S S+ 0 0 88 2,-0.1 2,-0.1 173,-0.0 -1,-0.1 0.387 99.7 105.3-142.9 -0.1 35.9 2.5 -49.9 84 88 A E S S- 0 0 139 -6,-0.1 2,-0.1 1,-0.1 -3,-0.0 -0.478 86.8 -78.2 -73.9 156.5 35.9 4.3 -46.5 85 89 A A + 0 0 39 1,-0.2 172,-0.2 -2,-0.1 -1,-0.1 -0.334 66.3 143.6 -58.0 127.4 35.3 2.3 -43.3 86 90 A S > + 0 0 3 170,-2.3 4,-1.9 -2,-0.1 3,-0.3 0.245 29.0 115.5-148.7 3.0 31.6 1.5 -42.9 87 91 A F H > S+ 0 0 2 169,-1.9 4,-2.9 1,-0.2 5,-0.2 0.859 75.6 52.4 -52.0 -45.0 31.7 -2.0 -41.3 88 92 A D H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 108.0 50.3 -62.1 -42.6 30.1 -1.0 -38.0 89 93 A D H > S+ 0 0 33 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.905 113.7 47.0 -60.4 -43.3 27.1 0.7 -39.6 90 94 A R H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 3,-0.5 0.925 111.0 50.7 -63.8 -47.5 26.5 -2.4 -41.8 91 95 A Q H X S+ 0 0 6 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.915 103.1 59.5 -57.9 -47.0 26.9 -4.8 -38.8 92 96 A D H < S+ 0 0 33 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.857 114.0 39.2 -46.7 -39.9 24.3 -2.9 -36.7 93 97 A I H >X S+ 0 0 12 -4,-1.0 4,-2.6 -3,-0.5 3,-0.7 0.955 116.7 44.0 -81.8 -53.3 21.8 -3.5 -39.4 94 98 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.862 106.2 60.1 -68.4 -34.1 22.4 -7.1 -40.5 95 99 A V H 3< S+ 0 0 19 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.1 0.822 117.6 34.0 -61.0 -27.0 22.8 -8.6 -37.0 96 100 A E H <> S+ 0 0 64 -3,-0.7 4,-0.9 -4,-0.4 -2,-0.2 0.895 122.8 40.9 -90.5 -46.1 19.2 -7.4 -36.3 97 101 A E H X S+ 0 0 52 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.813 98.1 69.8 -82.7 -35.8 17.5 -7.8 -39.7 98 102 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.876 106.6 42.0 -52.2 -41.6 18.8 -11.1 -41.0 99 103 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.899 112.8 53.5 -74.2 -36.4 16.9 -13.1 -38.3 100 104 A R H X S+ 0 0 119 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.922 111.6 44.0 -59.9 -48.1 13.7 -11.0 -38.6 101 105 A L H X S+ 0 0 17 -4,-2.7 4,-1.3 1,-0.2 3,-0.2 0.916 111.3 54.9 -65.8 -42.9 13.5 -11.5 -42.4 102 106 A A H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.3 -1,-0.2 0.895 101.4 59.7 -51.7 -44.3 14.3 -15.2 -41.9 103 107 A K H X S+ 0 0 65 -4,-2.1 4,-3.6 1,-0.2 5,-0.2 0.909 99.8 56.4 -51.7 -49.3 11.4 -15.5 -39.5 104 108 A E H X S+ 0 0 102 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.896 113.1 39.1 -50.8 -49.5 8.9 -14.3 -42.2 105 109 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 112,-0.2 0.918 115.7 52.7 -70.9 -44.0 9.9 -17.2 -44.5 106 110 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.956 108.5 49.8 -53.1 -55.7 10.2 -19.7 -41.7 107 111 A E H X S+ 0 0 54 -4,-3.6 4,-2.6 1,-0.2 5,-0.2 0.926 110.5 49.8 -50.3 -51.7 6.7 -18.9 -40.4 108 112 A K H X S+ 0 0 101 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.873 113.7 45.3 -57.9 -40.9 5.1 -19.3 -43.8 109 113 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.887 112.7 50.6 -67.3 -40.7 6.8 -22.7 -44.4 110 114 A I H X>S+ 0 0 8 -4,-2.6 4,-1.7 1,-0.2 5,-0.8 0.861 109.9 51.6 -69.6 -34.0 5.9 -23.8 -40.9 111 115 A K H <5S+ 0 0 175 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.903 109.6 47.5 -67.0 -43.4 2.3 -22.9 -41.6 112 116 A E H <5S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 107.5 57.9 -66.0 -40.4 2.1 -24.8 -44.9 113 117 A W H <5S- 0 0 9 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.893 96.2-152.4 -51.6 -48.0 3.7 -27.8 -43.1 114 118 A G T <5 + 0 0 60 -4,-1.7 -3,-0.1 1,-0.3 -2,-0.1 0.721 48.8 116.5 84.9 24.8 0.7 -27.6 -40.7 115 119 A R S - 0 0 75 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.345 31.0-127.9 -61.3 137.4 3.3 -27.8 -34.1 117 121 A K G > S+ 0 0 58 1,-0.3 3,-2.4 2,-0.2 27,-0.0 0.800 105.5 74.7 -54.3 -29.0 6.7 -26.0 -33.8 118 122 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.649 86.9 63.0 -63.2 -15.0 7.4 -28.3 -31.0 119 123 A E G < S+ 0 0 79 -3,-2.3 2,-0.4 61,-0.0 -1,-0.3 0.463 74.6 106.0 -91.9 -3.9 8.0 -31.0 -33.5 120 124 A I < + 0 0 5 -3,-2.4 62,-0.2 1,-0.1 3,-0.1 -0.682 42.3 178.4 -74.9 127.3 11.0 -29.3 -35.2 121 125 A T + 0 0 49 60,-1.7 30,-2.3 -2,-0.4 2,-0.3 0.680 60.7 26.1-102.7 -25.9 14.2 -31.2 -34.2 122 126 A H E -cd 151 182A 17 59,-1.4 61,-3.2 28,-0.2 2,-0.4 -0.989 54.1-160.6-141.0 149.0 16.8 -29.2 -36.2 123 127 A L E -cd 152 183A 0 28,-3.3 30,-1.8 -2,-0.3 2,-0.4 -0.999 6.8-176.1-128.6 129.5 17.4 -25.8 -37.7 124 128 A V E +cd 153 184A 1 59,-2.8 61,-2.4 -2,-0.4 2,-0.4 -0.997 14.2 178.6-125.0 122.6 20.0 -25.2 -40.4 125 129 A F E -cd 154 185A 0 28,-2.5 30,-3.3 -2,-0.4 2,-0.4 -0.987 8.1-172.4-137.7 126.5 20.4 -21.5 -41.4 126 130 A C E +cd 155 186A 1 59,-2.9 61,-1.7 -2,-0.4 2,-0.3 -0.957 14.2 149.0-123.5 146.9 22.6 -19.8 -43.9 127 131 A S E -c 156 0A 1 28,-1.8 30,-1.9 -2,-0.4 31,-0.3 -0.938 45.0-134.1-161.4 152.8 23.4 -16.2 -44.7 128 132 A I S S+ 0 0 7 59,-0.3 2,-0.2 -2,-0.3 3,-0.1 0.764 91.2 51.3 -67.7 -28.4 26.3 -14.2 -45.9 129 133 A S S S+ 0 0 5 58,-0.3 7,-0.1 1,-0.1 58,-0.1 -0.627 71.0 58.2-122.0 162.2 25.5 -11.6 -43.2 130 134 A G - 0 0 1 -2,-0.2 6,-0.3 1,-0.2 2,-0.3 0.815 51.5-178.3 94.3 36.2 24.8 -11.0 -39.5 131 135 A I + 0 0 5 -3,-0.1 513,-0.5 4,-0.1 2,-0.2 -0.522 25.5 123.0 -71.2 127.7 27.9 -12.3 -37.7 132 136 A D - 0 0 11 -2,-0.3 511,-0.2 415,-0.2 4,-0.2 -0.912 60.2 -82.3-171.0 163.9 27.6 -12.0 -33.9 133 137 A M B S+J 642 0C 3 509,-2.4 509,-2.8 -2,-0.2 2,-0.2 -0.959 122.1 32.4-131.6 118.8 27.9 -14.4 -30.8 134 138 A P S S- 0 0 10 0, 0.0 508,-0.1 0, 0.0 628,-0.1 0.596 111.8-142.4 -64.3 166.6 25.4 -15.9 -30.2 135 139 A G > - 0 0 4 -2,-0.2 4,-1.6 626,-0.2 5,-0.1 -0.048 25.8 -78.0 -96.3-164.0 24.6 -15.9 -33.9 136 140 A A H > S+ 0 0 2 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.762 123.2 61.5 -71.6 -24.3 21.7 -15.5 -36.2 137 141 A D H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.965 105.3 48.5 -62.3 -47.8 20.6 -19.2 -35.6 138 142 A Y H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 112.7 46.6 -55.8 -48.2 20.1 -18.3 -32.0 139 143 A R H X S+ 0 0 61 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.896 114.0 47.9 -65.0 -41.6 18.1 -15.2 -32.7 140 144 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.956 109.4 51.6 -68.6 -51.1 15.9 -16.9 -35.3 141 145 A A H X>S+ 0 0 11 -4,-2.9 5,-2.7 1,-0.2 4,-0.6 0.862 114.2 47.3 -44.3 -42.9 15.2 -19.9 -33.0 142 146 A T H ><5S+ 0 0 77 -4,-1.7 3,-0.6 -5,-0.3 -2,-0.2 0.910 108.4 51.1 -72.2 -46.5 14.1 -17.4 -30.4 143 147 A L H 3<5S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.962 114.9 44.5 -54.6 -52.9 11.9 -15.2 -32.6 144 148 A L H 3<5S- 0 0 5 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.609 110.3-125.1 -63.5 -18.6 10.0 -18.3 -33.8 145 149 A G T <<5 + 0 0 53 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.888 43.5 176.9 69.1 39.9 9.8 -19.7 -30.2 146 150 A L < - 0 0 12 -5,-2.7 -1,-0.1 -6,-0.2 -28,-0.1 -0.335 40.3 -88.7 -66.5 152.8 11.4 -23.0 -31.1 147 151 A P > - 0 0 43 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.341 34.7-121.5 -63.4 151.4 12.1 -25.5 -28.2 148 152 A L T 3 S+ 0 0 85 1,-0.3 484,-1.5 -3,-0.1 -2,-0.1 0.668 107.8 66.6 -70.8 -14.0 15.5 -25.0 -26.6 149 153 A T T 3 S+ 0 0 63 482,-0.2 481,-0.4 2,-0.1 -1,-0.3 0.458 72.4 124.0 -88.7 -0.7 16.5 -28.6 -27.4 150 154 A V < - 0 0 2 -3,-1.5 2,-0.6 1,-0.1 -28,-0.2 -0.387 67.4-121.7 -65.1 127.6 16.5 -27.9 -31.2 151 155 A N E -c 122 0A 24 -30,-2.3 -28,-3.3 -2,-0.1 2,-0.4 -0.643 35.3-162.8 -75.0 118.9 19.9 -28.6 -32.9 152 156 A R E +c 123 0A 9 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.828 16.2 179.0-109.4 139.4 21.0 -25.4 -34.5 153 157 A L E -c 124 0A 10 -30,-1.8 -28,-2.5 -2,-0.4 2,-0.5 -0.965 8.8-162.9-140.7 124.7 23.6 -24.9 -37.1 154 158 A M E -c 125 0A 0 -2,-0.4 2,-0.6 -30,-0.2 -28,-0.2 -0.924 1.5-165.9-105.0 129.1 24.5 -21.5 -38.6 155 159 A I E -c 126 0A 1 -30,-3.3 -28,-1.8 -2,-0.5 3,-0.3 -0.910 17.4-168.9-114.8 102.0 26.4 -21.3 -41.9 156 160 A Y E +c 127 0A 0 -2,-0.6 390,-0.4 390,-0.3 -28,-0.3 -0.659 53.8 2.6 -89.5 144.2 27.8 -17.8 -42.4 157 161 A S S S+ 0 0 1 -30,-1.9 2,-0.3 -2,-0.3 -29,-0.2 0.737 79.8 129.7 65.3 29.4 29.4 -16.0 -45.4 158 162 A Q - 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0 0 2 68,-1.9 3,-0.2 -2,-0.3 24,-0.1 -0.775 27.1-146.6 -78.2 127.0 19.9 -20.7 -59.2 300 304 A P - 0 0 1 0, 0.0 2,-2.4 0, 0.0 6,-0.3 0.938 20.3-178.9 -71.6 -47.3 20.0 -17.9 -61.8 301 305 A G S S- 0 0 11 4,-0.1 2,-0.3 33,-0.1 31,-0.1 -0.481 70.9 -33.1 81.6 -75.4 23.1 -15.9 -60.8 302 306 A N > - 0 0 64 -2,-2.4 4,-2.1 -3,-0.2 5,-0.2 -0.934 68.7 -88.6-161.8-179.3 22.4 -13.5 -63.7 303 307 A W H > S+ 0 0 65 -244,-0.4 4,-2.8 -2,-0.3 5,-0.1 0.849 122.9 53.3 -64.3 -40.2 20.8 -13.5 -67.2 304 308 A A H > S+ 0 0 48 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.913 108.6 51.6 -62.1 -42.6 24.1 -14.3 -69.0 305 309 A I H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.953 110.1 46.3 -61.5 -49.7 24.5 -17.3 -66.7 306 310 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 -6,-0.3 -1,-0.2 0.919 114.8 51.2 -56.1 -47.0 21.1 -18.7 -67.4 307 311 A D H X S+ 0 0 70 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.943 109.4 46.5 -50.6 -56.3 21.8 -18.1 -71.1 308 312 A A H X S+ 0 0 25 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.868 114.9 48.2 -64.3 -36.5 25.2 -19.9 -71.2 309 313 A I H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.2 6,-0.3 0.915 112.4 49.1 -67.3 -39.6 23.7 -22.9 -69.3 310 314 A E H X>S+ 0 0 35 -4,-2.5 5,-1.7 -5,-0.3 4,-0.8 0.944 115.1 43.8 -67.6 -43.7 20.7 -22.9 -71.7 311 315 A A H <5S+ 0 0 75 -4,-3.2 3,-0.4 3,-0.2 -2,-0.2 0.933 114.8 47.7 -64.0 -46.0 22.9 -22.8 -74.8 312 316 A K H <5S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 117.6 39.4 -69.3 -44.9 25.5 -25.3 -73.6 313 317 A L H <5S- 0 0 8 -4,-2.2 -22,-0.2 -5,-0.2 -1,-0.2 0.575 105.0-127.4 -79.2 -5.1 23.1 -28.0 -72.4 314 318 A Q T <5 + 0 0 163 -4,-0.8 2,-0.2 -3,-0.4 -3,-0.2 0.876 44.6 176.5 60.5 39.6 20.8 -27.3 -75.4 315 319 A L < - 0 0 9 -5,-1.7 -1,-0.2 -6,-0.3 5,-0.0 -0.554 34.0-117.0 -76.0 134.7 17.8 -26.9 -73.0 316 320 A S > - 0 0 48 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.427 37.8-103.4 -60.8 149.2 14.4 -25.9 -74.5 317 321 A P T 3 S+ 0 0 93 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.681 115.7 68.5 -56.5 -18.9 13.4 -22.5 -73.1 318 322 A D T > S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.830 85.3 70.6 -66.3 -28.9 10.9 -24.0 -70.7 319 323 A K T < S+ 0 0 19 -3,-1.8 -23,-0.4 1,-0.3 3,-0.3 0.892 112.6 23.1 -56.4 -50.1 13.6 -25.6 -68.5 320 324 A L T 3> S+ 0 0 1 -4,-0.4 4,-2.6 -3,-0.2 3,-0.3 0.249 89.1 108.2-104.3 10.1 15.0 -22.4 -67.0 321 325 A S H <> S+ 0 0 39 -3,-0.7 4,-2.5 -4,-0.4 -1,-0.2 0.884 80.3 53.2 -57.4 -35.1 11.9 -20.3 -67.5 322 326 A T H > S+ 0 0 5 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.850 106.9 50.3 -66.5 -38.7 11.3 -20.4 -63.7 323 327 A A H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.959 112.7 48.7 -62.6 -47.2 14.8 -19.2 -62.9 324 328 A R H X S+ 0 0 37 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.895 110.4 49.9 -58.1 -44.8 14.2 -16.3 -65.4 325 329 A H H X S+ 0 0 65 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.983 114.2 44.0 -58.5 -58.4 10.8 -15.4 -63.8 326 330 A V H X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.2 5,-0.4 0.892 115.4 48.4 -54.2 -46.8 12.2 -15.3 -60.3 327 331 A F H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 3,-0.4 0.898 112.9 47.4 -61.2 -45.8 15.3 -13.4 -61.3 328 332 A T H < S+ 0 0 18 -4,-2.7 -266,-3.3 -5,-0.2 -265,-1.5 0.856 118.3 41.7 -62.2 -35.7 13.4 -10.8 -63.3 329 333 A E H < S+ 0 0 39 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.524 137.2 9.0 -93.6 -8.3 10.9 -10.3 -60.5 330 334 A Y H < S- 0 0 62 -4,-1.1 -265,-0.4 -3,-0.4 -3,-0.2 0.358 91.3-134.6-147.2 -9.7 13.4 -10.3 -57.5 331 335 A G < - 0 0 0 -4,-2.4 2,-0.8 -5,-0.4 -120,-0.2 -0.176 58.4 -31.8 70.3-171.3 17.0 -10.2 -58.8 332 336 A N B -l 211 0D 7 -122,-2.4 -120,-2.1 -31,-0.1 3,-0.1 -0.722 55.0-179.1 -82.2 107.8 19.7 -12.4 -57.5 333 337 A M > - 0 0 0 -2,-0.8 3,-1.6 1,-0.4 -119,-0.1 -0.001 34.3-137.6 -98.1 32.8 18.9 -13.0 -53.8 334 338 A Q G > S+ 0 0 6 1,-0.3 3,-1.8 2,-0.2 4,-0.4 -0.168 76.3 5.7 42.5-130.9 22.0 -15.1 -53.4 335 339 A S G 3 S+ 0 0 1 1,-0.3 3,-0.3 -177,-0.2 -1,-0.3 0.751 131.8 55.9 -56.5 -23.2 21.5 -18.3 -51.3 336 340 A A G X> S+ 0 0 0 -3,-1.6 3,-2.2 -122,-0.2 4,-0.8 0.818 84.6 81.6 -74.5 -31.2 17.8 -17.7 -51.0 337 341 A T H X> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.3 3,-1.0 0.791 81.7 61.4 -51.1 -41.9 16.9 -17.5 -54.7 338 342 A V H 3> S+ 0 0 4 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.3 0.751 100.1 56.2 -62.3 -23.4 16.8 -21.2 -55.4 339 343 A Y H <> S+ 0 0 0 -3,-2.2 4,-2.9 -4,-0.2 -1,-0.3 0.850 106.2 50.5 -75.0 -33.3 13.9 -21.6 -52.9 340 344 A F H S+ 0 0 0 -4,-2.1 5,-2.8 8,-0.2 -1,-0.2 0.893 111.5 43.9 -52.3 -41.5 3.0 -27.3 -62.2 350 354 A A H ><5S+ 0 0 45 -4,-1.3 3,-0.8 3,-0.2 -2,-0.2 0.934 115.9 45.5 -74.0 -43.6 -0.3 -27.1 -60.3 351 355 A V H 3<5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.884 113.4 49.2 -67.5 -42.0 -1.8 -24.2 -62.3 352 356 A E T 3<5S- 0 0 118 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.386 114.2-115.3 -82.2 6.0 -0.8 -25.6 -65.7 353 357 A G T < 5 + 0 0 48 -3,-0.8 -3,-0.2 -5,-0.2 2,-0.1 0.866 52.9 169.9 66.0 39.6 -2.3 -29.0 -64.9 354 358 A R < - 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0 0 4 166,-1.4 169,-0.1 165,-0.1 -1,-0.1 -0.250 13.4-140.1 -81.7 176.7 26.2 -47.0 -43.8 400 14 B Q + 0 0 101 2,-0.1 -1,-0.1 167,-0.1 165,-0.1 0.830 69.2 42.3-107.3 -46.8 25.6 -49.8 -41.2 401 15 B G S S- 0 0 3 1,-0.2 2,-0.1 -397,-0.1 -2,-0.1 -0.117 91.1 -71.9 -95.1-173.7 27.4 -49.0 -38.0 402 16 B P - 0 0 18 0, 0.0 211,-0.5 0, 0.0 -1,-0.2 -0.474 55.4 -96.8 -72.7 155.3 28.0 -46.0 -35.7 403 17 B A - 0 0 0 222,-0.4 222,-2.7 209,-0.2 2,-0.4 -0.461 45.3-159.6 -63.3 141.2 30.3 -43.2 -36.8 404 18 B T E -PQ 611 624G 2 207,-2.2 207,-2.0 220,-0.2 2,-0.6 -0.970 22.3-123.2-129.0 144.3 33.8 -43.7 -35.3 405 19 B I E +PQ 610 623G 0 218,-2.2 217,-3.4 -2,-0.4 218,-1.1 -0.808 32.7 179.6 -80.4 119.0 36.7 -41.3 -34.7 406 20 B M E - 0 0 7 203,-3.6 214,-0.4 -2,-0.6 2,-0.3 0.593 57.4 -1.2-101.2 -17.6 39.5 -43.0 -36.6 407 21 B A E -P 609 0G 0 202,-0.6 202,-1.2 212,-0.1 2,-0.3 -0.945 55.3-154.3-168.9 156.3 42.5 -40.6 -36.1 408 22 B I E +P 608 0G 4 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.952 13.2 176.4-145.3 123.4 43.3 -37.3 -34.3 409 23 B G E -P 607 0G 5 198,-3.0 198,-2.5 -2,-0.3 2,-0.3 -0.959 6.4-170.7-124.6 152.1 46.1 -34.9 -35.2 410 24 B T E -P 606 0G 23 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.943 4.1-179.0-137.7 158.0 46.9 -31.5 -33.7 411 25 B A E -P 605 0G 4 194,-1.8 194,-2.2 -2,-0.3 84,-0.1 -0.987 6.4-167.1-153.2 154.6 49.1 -28.5 -34.4 412 26 B T - 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