==== 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 3OV2 . COMPND 2 MOLECULE: CURCUMIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURCUMA LONGA; . AUTHOR Y.KATSUYAMA,K.MIYAZONO,M.TANOKURA,Y.OHNISHI,S.HORINOUCHI . 1559 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1131 72.5 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 . 227 14.6 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 . 82 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 497 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 0 0 5 3 10 8 4 4 0 1 5 6 0 1 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 . 6 6 3 1 0 4 4 8 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 3 A N > 0 0 147 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 121.6 24.1 -52.4 -28.4 2 4 A L H > + 0 0 47 2,-0.2 4,-0.9 1,-0.2 5,-0.0 0.790 360.0 39.2 -65.0 -36.4 25.8 -49.9 -30.8 3 5 A H H > S+ 0 0 68 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.859 114.9 50.5 -86.6 -40.4 24.1 -51.2 -34.0 4 6 A A H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.935 111.5 48.9 -61.3 -50.5 20.7 -52.0 -32.6 5 7 A L H X S+ 0 0 71 -4,-1.8 4,-2.0 1,-0.2 3,-0.3 0.900 111.4 51.6 -52.4 -45.0 20.4 -48.5 -31.1 6 8 A R H X S+ 0 0 4 -4,-0.9 4,-1.2 1,-0.2 -2,-0.2 0.932 106.3 53.3 -59.2 -46.7 21.5 -47.1 -34.5 7 9 A R H < S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.5 43.5 -62.2 -29.2 18.8 -49.1 -36.3 8 10 A E H < S+ 0 0 133 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.824 111.3 51.6 -85.6 -34.5 16.1 -47.7 -34.1 9 11 A Q H < S+ 0 0 105 -4,-2.0 171,-3.8 -5,-0.2 2,-0.2 0.625 94.8 82.8 -81.2 -16.6 17.2 -44.0 -34.0 10 12 A R S < S- 0 0 43 -4,-1.2 168,-0.2 169,-0.3 169,-0.2 -0.532 80.2-109.3 -93.2 157.0 17.5 -43.4 -37.8 11 13 A A - 0 0 1 166,-1.2 169,-0.1 -2,-0.2 -1,-0.1 -0.373 18.4-141.2 -76.2 162.4 14.8 -42.5 -40.3 12 14 A Q S S+ 0 0 148 2,-0.1 385,-0.1 -2,-0.1 -1,-0.1 0.837 70.9 35.5 -91.9 -40.3 13.6 -45.0 -43.0 13 15 A G S S- 0 0 1 1,-0.2 380,-0.1 383,-0.1 3,-0.1 -0.435 92.4 -62.7-115.5-175.3 13.1 -43.1 -46.2 14 16 A P - 0 0 7 0, 0.0 211,-0.5 0, 0.0 -1,-0.2 -0.292 57.1 -93.5 -71.1 150.0 14.5 -40.2 -48.2 15 17 A A - 0 0 0 222,-0.4 222,-2.8 209,-0.2 2,-0.4 -0.324 46.3-154.9 -54.6 144.5 14.5 -36.6 -47.0 16 18 A T E -AB 223 236A 1 207,-1.2 207,-1.8 220,-0.2 2,-0.7 -0.962 19.5-132.8-133.3 138.6 11.5 -34.6 -48.2 17 19 A I E +AB 222 235A 0 218,-2.3 217,-3.3 -2,-0.4 218,-1.2 -0.869 30.7 174.1 -91.0 114.0 10.8 -30.9 -48.8 18 20 A M E + 0 0 2 203,-3.3 214,-0.3 -2,-0.7 2,-0.3 0.558 56.5 2.6-101.2 -14.9 7.5 -30.5 -47.0 19 21 A A E -A 221 0A 0 202,-0.7 202,-1.0 2,-0.0 2,-0.4 -0.965 54.8-151.0-172.2 155.2 6.9 -26.7 -47.3 20 22 A I E +A 220 0A 7 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.996 12.3 177.6-143.1 130.7 8.3 -23.5 -48.8 21 23 A G E -A 219 0A 3 198,-2.6 198,-2.7 -2,-0.4 2,-0.3 -0.979 4.5-172.4-133.3 147.0 8.1 -19.9 -47.7 22 24 A T E +A 218 0A 24 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.966 4.1 177.0-137.5 152.4 9.6 -16.7 -49.1 23 25 A A E -A 217 0A 7 194,-2.4 194,-2.7 -2,-0.3 84,-0.1 -0.982 6.3-171.0-152.5 154.0 9.8 -13.1 -48.0 24 26 A T - 0 0 42 -2,-0.3 192,-0.2 192,-0.2 44,-0.1 -0.943 40.3 -89.2-135.8 157.1 11.4 -9.8 -49.2 25 27 A P - 0 0 7 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.266 43.0-115.6 -57.6 161.3 11.8 -6.4 -47.6 26 28 A P S S+ 0 0 120 0, 0.0 2,-0.9 0, 0.0 43,-0.1 0.493 84.5 102.4 -83.0 -0.3 8.7 -4.1 -48.4 27 29 A N - 0 0 54 41,-0.3 41,-1.8 2,-0.0 2,-0.4 -0.739 61.3-151.3 -95.9 106.6 10.7 -1.5 -50.4 28 30 A L E -I 67 0B 86 -2,-0.9 2,-0.6 39,-0.2 39,-0.2 -0.582 7.7-166.0 -73.1 123.1 10.2 -1.9 -54.1 29 31 A Y E -I 66 0B 25 37,-3.7 37,-1.9 -2,-0.4 2,-0.4 -0.899 9.0-153.4-110.4 105.2 13.0 -0.8 -56.4 30 32 A E E >> -I 65 0B 100 -2,-0.6 3,-0.8 35,-0.2 4,-0.7 -0.616 10.9-142.1 -72.4 129.2 12.0 -0.5 -60.0 31 33 A Q G >4 S+ 0 0 11 33,-2.4 3,-0.5 -2,-0.4 -1,-0.1 0.826 96.0 66.9 -61.2 -33.9 15.0 -1.0 -62.3 32 34 A S G 34 S+ 0 0 80 32,-0.5 -1,-0.2 1,-0.2 4,-0.2 0.844 116.2 25.8 -57.6 -35.2 13.8 1.7 -64.8 33 35 A T G <> S+ 0 0 68 -3,-0.8 4,-2.3 1,-0.1 -1,-0.2 0.362 94.2 98.1-110.6 1.2 14.3 4.4 -62.1 34 36 A F H S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.918 108.9 48.0 -58.3 -38.9 19.8 4.6 -61.8 36 38 A D H > S+ 0 0 64 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.947 115.7 43.5 -66.4 -47.5 18.1 7.9 -60.9 37 39 A F H X S+ 0 0 31 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.946 115.5 48.4 -59.9 -52.9 17.7 6.8 -57.3 38 40 A Y H X S+ 0 0 1 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.940 113.8 44.0 -54.8 -56.0 21.2 5.4 -56.9 39 41 A F H <>S+ 0 0 0 -4,-2.3 5,-3.3 -5,-0.2 6,-0.2 0.804 116.2 49.2 -63.8 -28.8 23.2 8.3 -58.4 40 42 A R H ><5S+ 0 0 105 -4,-1.5 3,-1.3 -5,-0.3 5,-0.2 0.937 112.2 43.7 -76.2 -47.8 21.1 10.9 -56.4 41 43 A V H 3<5S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.737 113.5 51.4 -74.1 -21.2 21.4 9.3 -52.9 42 44 A T T 3<5S- 0 0 13 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.369 114.6-118.3 -92.0 7.5 25.1 8.6 -53.3 43 45 A N T < 5S+ 0 0 137 -3,-1.3 -3,-0.2 -5,-0.1 3,-0.1 0.908 76.7 127.0 53.3 50.3 25.6 12.3 -54.3 44 46 A S > < + 0 0 4 -5,-3.3 3,-1.9 -6,-0.2 7,-0.2 -0.033 16.0 122.9-123.5 28.6 26.9 11.4 -57.8 45 47 A D T 3 S+ 0 0 73 1,-0.3 3,-0.1 -6,-0.2 -1,-0.1 0.584 73.2 62.7 -67.0 -9.2 24.6 13.5 -60.0 46 48 A D T 3 S+ 0 0 136 1,-0.2 -1,-0.3 -7,-0.2 2,-0.2 0.152 84.8 77.2 -99.7 17.8 27.8 15.0 -61.4 47 49 A K <> + 0 0 49 -3,-1.9 4,-2.7 1,-0.1 -1,-0.2 -0.532 55.5 152.4-112.1 63.3 28.9 11.7 -62.7 48 50 A Q H > + 0 0 110 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.828 68.5 51.8 -66.0 -31.5 26.5 11.8 -65.7 49 51 A E H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 111.9 45.1 -72.8 -42.8 28.7 9.7 -67.9 50 52 A L H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 112.9 52.8 -64.1 -40.4 29.0 6.9 -65.3 51 53 A K H X S+ 0 0 26 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.944 106.5 52.0 -56.6 -48.8 25.3 7.2 -64.7 52 54 A K H X S+ 0 0 144 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.921 112.1 48.0 -53.0 -45.4 24.7 6.8 -68.5 53 55 A K H X S+ 0 0 70 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.901 109.7 51.1 -57.8 -46.6 26.8 3.7 -68.2 54 56 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.882 105.4 54.9 -67.9 -39.2 25.0 2.3 -65.2 55 57 A R H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.869 109.2 49.0 -58.4 -39.0 21.6 2.7 -66.9 56 58 A R H X S+ 0 0 130 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.933 111.3 49.4 -67.2 -45.2 22.9 0.6 -69.8 57 59 A M H X S+ 0 0 39 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.920 111.7 49.1 -52.6 -46.8 24.1 -2.0 -67.2 58 60 A C H < S+ 0 0 4 -4,-2.9 4,-0.5 2,-0.2 5,-0.4 0.867 110.8 49.5 -66.5 -39.5 20.7 -1.9 -65.6 59 61 A E H >< S+ 0 0 101 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.925 111.7 49.1 -62.7 -46.3 18.9 -2.3 -68.9 60 62 A K H 3< S+ 0 0 135 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.739 96.7 69.5 -66.2 -30.3 21.2 -5.3 -69.8 61 63 A T T 3< S- 0 0 27 -4,-1.7 244,-0.4 -5,-0.2 -1,-0.2 0.768 92.5-143.5 -57.8 -26.9 20.7 -7.1 -66.5 62 64 A M < + 0 0 86 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.1 0.479 50.4 143.5 67.9 4.9 17.1 -7.8 -67.6 63 65 A V - 0 0 8 -5,-0.4 -1,-0.3 1,-0.2 267,-0.2 -0.588 31.1-174.1 -69.2 131.6 16.0 -7.2 -63.9 64 66 A K - 0 0 121 266,-3.0 -33,-2.4 1,-0.3 -32,-0.5 0.771 64.4 -7.4 -92.6 -36.2 12.6 -5.4 -63.7 65 67 A K E -I 30 0B 54 265,-1.6 -1,-0.3 -35,-0.2 2,-0.3 -0.995 53.2-166.7-158.7 159.0 12.6 -5.0 -59.9 66 68 A R E -I 29 0B 4 -37,-1.9 -37,-3.7 -2,-0.3 2,-0.4 -0.911 18.9-132.6-140.0 166.4 14.1 -5.7 -56.6 67 69 A Y E -I 28 0B 48 265,-0.5 148,-2.3 -2,-0.3 2,-0.4 -0.998 27.7-178.7-125.4 123.9 13.3 -5.4 -52.9 68 70 A L - 0 0 7 -41,-1.8 -41,-0.3 -2,-0.4 123,-0.1 -0.982 33.3-148.3-126.5 133.6 15.9 -3.9 -50.6 69 71 A H S S+ 0 0 35 -2,-0.4 -1,-0.1 -44,-0.1 122,-0.0 0.890 81.1 91.6 -56.1 -43.4 15.9 -3.3 -46.8 70 72 A L + 0 0 4 -3,-0.1 2,-0.3 4,-0.1 -2,-0.2 -0.256 58.0 177.7 -56.9 141.3 18.1 -0.2 -47.6 71 73 A T > - 0 0 21 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.917 47.2 -98.6-138.7 165.2 16.2 3.1 -48.1 72 74 A E H > S+ 0 0 56 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.884 122.9 54.3 -47.3 -42.6 17.0 6.8 -48.7 73 75 A E H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 105.4 49.2 -60.0 -50.9 16.5 7.4 -45.0 74 76 A I H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.932 112.5 50.6 -55.6 -46.8 19.0 4.8 -43.8 75 77 A L H < S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 7,-0.2 0.817 110.3 48.0 -60.6 -36.9 21.5 6.3 -46.3 76 78 A K H < S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.871 113.8 48.0 -70.7 -34.4 21.0 9.8 -45.0 77 79 A E H < S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.734 125.2 29.4 -76.6 -24.0 21.3 8.7 -41.4 78 80 A R S >< S+ 0 0 36 -4,-1.6 3,-1.7 -5,-0.2 -1,-0.3 -0.651 70.1 173.6-137.3 74.3 24.5 6.7 -42.1 79 81 A P G >> + 0 0 63 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.696 68.7 76.7 -64.1 -19.4 26.2 8.5 -45.0 80 82 A K G >4 S+ 0 0 122 1,-0.3 3,-1.1 2,-0.2 6,-0.2 0.813 82.2 68.5 -61.8 -27.8 29.3 6.3 -44.9 81 83 A L G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.2 117,-0.2 0.715 97.2 55.5 -56.3 -24.4 27.3 3.6 -46.6 82 84 A C G <4 S+ 0 0 15 -3,-2.0 116,-0.6 -4,-0.2 -1,-0.2 0.674 83.2 100.6 -86.3 -19.7 27.4 5.8 -49.7 83 85 A S S << S- 0 0 24 -3,-1.1 115,-0.8 -4,-0.5 5,-0.0 -0.323 75.1-129.9 -66.8 151.4 31.1 6.2 -49.9 84 86 A Y S S- 0 0 65 113,-0.2 -1,-0.1 115,-0.2 116,-0.1 0.993 91.4 -11.6 -59.4 -61.4 32.8 4.1 -52.5 85 87 A K S S+ 0 0 59 2,-0.1 2,-0.1 112,-0.1 -1,-0.1 0.184 89.4 124.4-141.2 27.0 35.5 2.8 -50.1 86 88 A E S S- 0 0 133 -6,-0.2 2,-0.1 1,-0.1 -3,-0.0 -0.494 78.5 -79.4 -74.2 156.0 35.8 4.5 -46.7 87 89 A A + 0 0 49 1,-0.2 172,-0.3 -2,-0.1 -1,-0.1 -0.392 67.9 146.8 -53.0 125.0 35.5 2.4 -43.6 88 90 A S > + 0 0 3 170,-2.6 4,-1.6 -2,-0.1 171,-0.2 0.118 28.5 114.9-150.9 13.6 31.8 1.8 -43.1 89 91 A F H > S+ 0 0 3 169,-1.5 4,-3.0 2,-0.2 5,-0.2 0.859 73.6 54.4 -64.2 -42.5 31.8 -1.7 -41.6 90 92 A D H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.941 107.8 50.2 -60.1 -50.0 30.4 -0.7 -38.2 91 93 A D H > S+ 0 0 31 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.882 113.6 46.5 -49.9 -43.6 27.3 1.0 -39.8 92 94 A R H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 3,-0.4 0.935 111.8 49.3 -72.1 -45.7 26.7 -2.1 -41.9 93 95 A Q H X S+ 0 0 6 -4,-3.0 4,-2.2 1,-0.2 5,-0.3 0.884 103.7 61.4 -55.3 -43.1 27.1 -4.5 -38.9 94 96 A D H X S+ 0 0 30 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.881 114.3 34.8 -54.4 -41.0 24.7 -2.4 -36.9 95 97 A I H X S+ 0 0 14 -4,-1.2 4,-2.5 -3,-0.4 3,-0.4 0.921 116.7 49.1 -80.9 -49.1 22.0 -3.1 -39.5 96 98 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -3,-0.2 0.874 102.3 62.1 -66.5 -34.6 22.7 -6.7 -40.6 97 99 A V H < S+ 0 0 14 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.902 117.3 28.6 -57.9 -41.7 23.0 -8.2 -37.1 98 100 A E H X S+ 0 0 72 -4,-0.5 4,-1.0 -3,-0.4 -1,-0.2 0.875 123.7 47.7 -85.8 -36.8 19.4 -7.2 -36.2 99 101 A E H X S+ 0 0 54 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.840 97.9 64.5 -79.9 -36.3 17.8 -7.3 -39.7 100 102 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.929 108.3 41.7 -54.2 -50.3 19.0 -10.7 -41.1 101 103 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.855 113.1 57.2 -60.8 -37.2 17.2 -12.7 -38.4 102 104 A R H X S+ 0 0 109 -4,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.914 109.9 40.3 -63.8 -48.4 14.2 -10.5 -38.8 103 105 A L H >X S+ 0 0 18 -4,-2.6 4,-1.3 1,-0.2 3,-0.8 0.932 113.3 55.8 -66.7 -43.8 13.7 -11.0 -42.5 104 106 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.834 100.3 61.3 -52.6 -37.3 14.5 -14.8 -42.1 105 107 A K H 3X S+ 0 0 54 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.848 99.5 54.2 -63.0 -38.1 11.7 -15.0 -39.6 106 108 A E H S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 5,-0.5 0.923 110.0 52.6 -62.2 -41.9 6.0 -23.5 -40.9 113 115 A K H <5S+ 0 0 171 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.894 111.0 45.4 -60.8 -45.6 2.4 -22.4 -41.6 114 116 A E H <5S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 108.5 56.2 -63.2 -44.9 2.2 -24.4 -44.9 115 117 A W H <5S- 0 0 11 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.938 97.3-154.9 -50.2 -48.0 3.8 -27.4 -43.1 116 118 A G T <5 + 0 0 61 -4,-2.4 -3,-0.1 1,-0.3 -1,-0.1 0.427 46.3 115.3 92.9 3.0 0.9 -27.0 -40.7 117 119 A R S - 0 0 64 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.348 31.4-130.1 -62.3 139.1 3.5 -27.4 -34.1 119 121 A K G > S+ 0 0 61 1,-0.3 3,-2.0 2,-0.2 -2,-0.0 0.802 105.1 70.9 -52.2 -30.3 6.8 -25.5 -33.8 120 122 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.662 87.4 62.9 -68.3 -17.7 7.7 -27.9 -31.0 121 123 A E G < S+ 0 0 70 -3,-1.9 2,-0.4 61,-0.0 -1,-0.3 0.449 76.9 105.7 -86.7 -1.7 8.1 -30.8 -33.5 122 124 A I < + 0 0 4 -3,-2.0 62,-0.2 -4,-0.2 3,-0.1 -0.692 42.7 175.0 -74.9 125.4 11.0 -28.9 -35.2 123 125 A T + 0 0 46 60,-2.5 30,-2.8 -2,-0.4 2,-0.3 0.726 59.1 34.0-104.7 -28.7 14.2 -30.7 -34.2 124 126 A H E -cd 153 184A 13 59,-1.9 61,-3.1 28,-0.2 2,-0.4 -0.964 54.5-162.1-132.5 144.8 16.9 -28.8 -36.2 125 127 A L E -cd 154 185A 0 28,-2.8 30,-1.3 -2,-0.3 2,-0.4 -1.000 8.8-177.9-121.9 126.2 17.5 -25.3 -37.5 126 128 A V E +cd 155 186A 1 59,-2.9 61,-2.5 -2,-0.4 2,-0.4 -0.995 13.0 177.4-123.5 121.9 20.0 -24.8 -40.4 127 129 A F E -cd 156 187A 0 28,-2.3 30,-3.1 -2,-0.4 2,-0.4 -0.990 8.1-172.9-136.2 124.0 20.4 -21.1 -41.3 128 130 A C E +cd 157 188A 1 59,-2.7 61,-2.0 -2,-0.4 2,-0.3 -0.946 14.1 147.6-119.6 144.5 22.6 -19.4 -43.8 129 131 A S E -c 158 0A 2 28,-2.0 30,-2.6 -2,-0.4 31,-0.3 -0.956 44.9-134.9-156.2 156.3 23.5 -15.8 -44.7 130 132 A I S S+ 0 0 6 59,-0.4 2,-0.2 -2,-0.3 3,-0.2 0.847 92.1 47.8 -68.1 -32.0 26.4 -13.8 -46.0 131 133 A S S S+ 0 0 6 58,-0.3 7,-0.1 1,-0.1 28,-0.1 -0.509 73.0 61.3-114.6 166.1 25.6 -11.2 -43.3 132 134 A G + 0 0 0 1,-0.2 2,-0.3 -2,-0.2 6,-0.3 0.756 52.0 178.4 97.9 28.4 24.9 -10.7 -39.6 133 135 A I + 0 0 4 -3,-0.2 513,-0.5 4,-0.1 2,-0.3 -0.498 22.4 126.9 -70.8 121.4 27.9 -12.0 -37.8 134 136 A D - 0 0 11 -2,-0.3 511,-0.2 415,-0.2 4,-0.2 -0.913 59.3 -86.0-157.7 168.7 27.7 -11.6 -34.0 135 137 A M B S+J 644 0C 4 509,-2.2 509,-2.3 -2,-0.3 2,-0.2 -0.941 123.4 32.6-131.6 114.8 28.1 -13.9 -30.9 136 138 A P S S- 0 0 3 0, 0.0 628,-0.1 0, 0.0 508,-0.1 0.545 113.5-145.0 -60.1 159.7 25.6 -15.3 -30.2 137 139 A G > - 0 0 1 -2,-0.2 4,-1.5 626,-0.2 3,-0.4 -0.056 24.8 -74.9 -96.3-166.3 24.8 -15.3 -33.9 138 140 A A H > S+ 0 0 0 -6,-0.3 4,-2.7 1,-0.2 5,-0.1 0.780 121.9 59.2 -61.6 -34.3 21.8 -15.0 -36.3 139 141 A D H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.910 105.6 49.1 -62.9 -42.6 20.5 -18.6 -35.7 140 142 A Y H > S+ 0 0 25 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.915 113.5 46.6 -61.3 -44.4 20.1 -17.9 -32.0 141 143 A R H X S+ 0 0 25 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.901 114.3 47.6 -66.8 -40.4 18.2 -14.6 -32.8 142 144 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.978 111.5 49.2 -65.3 -56.7 16.1 -16.4 -35.4 143 145 A A H X>S+ 0 0 13 -4,-3.1 5,-2.7 1,-0.2 4,-1.2 0.828 113.2 50.0 -46.5 -38.7 15.2 -19.3 -33.1 144 146 A T H <5S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.883 110.4 47.6 -71.0 -40.5 14.4 -16.7 -30.5 145 147 A L H <5S+ 0 0 65 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.881 115.2 46.5 -68.8 -37.3 12.1 -14.7 -32.8 146 148 A L H <5S- 0 0 4 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.766 108.8-125.4 -70.8 -27.3 10.4 -17.9 -33.9 147 149 A G T <5 + 0 0 54 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.869 43.9 176.8 76.2 41.3 10.0 -19.1 -30.3 148 150 A L < - 0 0 14 -5,-2.7 -1,-0.2 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