==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-09 3A5R . COMPND 2 MOLECULE: BENZALACETONE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHEUM PALMATUM; . AUTHOR H.MORITA,R.KATO,I.ABE,S.SUGIO,T.KOHNO . 751 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 15.0 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 54 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 3 1 3 0 4 1 2 2 1 1 0 4 0 1 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 3 0 0 1 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 . 5 1 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 8 A K 0 0 190 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 110.7 11.3 -58.5 87.0 2 9 A L - 0 0 52 1,-0.1 211,-0.4 210,-0.1 2,-0.1 -0.419 360.0 -98.6 -79.9 150.6 11.4 -56.7 90.3 3 10 A A E -A 225 0A 0 222,-0.5 222,-3.3 209,-0.2 2,-0.4 -0.458 48.5-156.5 -65.6 132.7 12.0 -53.0 91.0 4 11 A T E -AB 224 211A 2 207,-2.4 207,-2.1 220,-0.2 2,-0.6 -0.967 20.7-131.2-125.3 137.7 15.7 -52.8 92.1 5 12 A V E +AB 223 210A 0 218,-3.4 217,-2.6 -2,-0.4 218,-1.4 -0.736 33.7 168.1 -80.8 118.5 17.6 -50.2 94.1 6 13 A M E + 0 0 0 203,-2.9 214,-0.5 -2,-0.6 2,-0.3 0.368 58.0 25.6-118.2 4.7 20.7 -49.6 91.9 7 14 A A E - B 0 209A 0 202,-0.8 202,-1.6 212,-0.1 2,-0.3 -0.953 54.1-170.1-166.8 142.1 22.3 -46.6 93.6 8 15 A I E + B 0 208A 6 -2,-0.3 2,-0.4 200,-0.2 200,-0.2 -0.987 9.3 176.4-138.3 132.4 22.4 -44.9 97.0 9 16 A G E - B 0 207A 3 198,-2.7 198,-3.1 -2,-0.3 2,-0.3 -0.995 8.1-165.1-137.2 139.4 23.8 -41.5 97.7 10 17 A T E - B 0 206A 23 -2,-0.4 2,-0.3 196,-0.2 196,-0.2 -0.917 7.2-177.3-128.7 157.2 23.8 -39.6 101.0 11 18 A A E - B 0 205A 1 194,-2.5 194,-3.1 -2,-0.3 80,-0.1 -0.987 0.7-176.2-149.6 150.0 24.4 -36.1 102.3 12 19 A N - 0 0 28 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.968 38.5 -91.4-144.9 153.6 24.5 -34.3 105.7 13 20 A P - 0 0 4 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.348 39.3-118.8 -63.4 151.5 25.0 -30.7 106.8 14 21 A P S S+ 0 0 121 0, 0.0 2,-0.8 0, 0.0 43,-0.1 0.683 88.1 95.3 -66.7 -17.6 28.6 -29.7 107.5 15 22 A N - 0 0 52 41,-0.4 41,-1.9 2,-0.0 2,-0.5 -0.666 61.8-161.4 -82.8 108.5 28.1 -28.9 111.1 16 23 A C E -I 55 0B 50 -2,-0.8 2,-0.6 39,-0.2 39,-0.2 -0.799 3.9-165.2 -95.1 129.1 28.9 -32.0 113.3 17 24 A Y E -I 54 0B 29 37,-3.4 37,-1.8 -2,-0.5 2,-0.4 -0.942 10.8-147.2-119.0 109.4 27.5 -32.1 116.8 18 25 A Y E >> -I 53 0B 116 -2,-0.6 3,-1.4 35,-0.2 4,-0.6 -0.614 13.9-138.1 -75.9 127.0 29.0 -34.7 119.2 19 26 A Q T 34 S+ 0 0 8 33,-2.5 3,-0.2 -2,-0.4 34,-0.1 0.742 100.8 62.2 -57.4 -28.0 26.3 -35.9 121.6 20 27 A A T 34 S+ 0 0 90 32,-0.5 -1,-0.3 1,-0.2 4,-0.2 0.757 113.4 37.0 -70.6 -24.0 28.7 -35.8 124.6 21 28 A D T <> S+ 0 0 108 -3,-1.4 4,-1.5 1,-0.1 -1,-0.2 0.434 96.3 87.7-106.0 -4.1 29.0 -32.0 124.0 22 29 A F H X S+ 0 0 1 -4,-0.6 4,-3.1 -3,-0.2 5,-0.3 0.850 79.6 56.9 -68.2 -39.8 25.4 -31.4 123.0 23 30 A P H > S+ 0 0 7 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.880 111.8 45.5 -60.9 -32.2 23.7 -30.7 126.4 24 31 A D H > S+ 0 0 80 2,-0.2 4,-1.0 -4,-0.2 -2,-0.2 0.870 116.1 45.4 -74.8 -38.5 26.2 -27.9 127.0 25 32 A F H X S+ 0 0 30 -4,-1.5 4,-2.4 2,-0.2 3,-0.3 0.956 113.0 49.6 -68.1 -54.2 25.7 -26.5 123.5 26 33 A Y H X S+ 0 0 1 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.876 113.5 44.0 -53.8 -47.6 21.9 -26.7 123.5 27 34 A F H <>S+ 0 0 0 -4,-1.6 5,-2.6 -5,-0.3 6,-0.4 0.738 114.6 50.3 -74.8 -21.4 21.5 -25.0 126.9 28 35 A R H ><5S+ 0 0 107 -4,-1.0 3,-1.0 -3,-0.3 -2,-0.2 0.919 111.6 44.6 -81.3 -46.6 24.0 -22.2 126.2 29 36 A V H 3<5S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.692 114.3 49.1 -72.3 -22.4 22.7 -21.1 122.8 30 37 A T T 3<5S- 0 0 11 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.304 112.4-120.5 -97.9 6.2 19.0 -21.1 124.0 31 38 A N T < 5S+ 0 0 127 -3,-1.0 -3,-0.2 1,-0.1 3,-0.2 0.860 75.7 126.5 54.0 45.5 20.1 -19.1 127.1 32 39 A S > < + 0 0 12 -5,-2.6 3,-1.5 -6,-0.1 -4,-0.2 -0.008 18.3 121.1-119.4 29.4 18.8 -21.7 129.5 33 40 A D T 3 + 0 0 77 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.679 69.4 65.2 -66.5 -18.4 21.9 -22.3 131.6 34 41 A H T 3 S+ 0 0 142 -3,-0.2 2,-1.4 1,-0.2 -1,-0.3 0.613 80.2 85.0 -79.4 -15.4 19.9 -21.3 134.7 35 42 A L <> + 0 0 27 -3,-1.5 4,-0.9 1,-0.2 -1,-0.2 -0.669 49.9 159.4 -91.6 80.4 17.7 -24.4 134.4 36 43 A I H > S+ 0 0 108 -2,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.870 70.5 53.0 -69.8 -41.1 19.9 -26.9 136.2 37 44 A N H > S+ 0 0 97 1,-0.2 4,-0.6 -3,-0.2 -1,-0.2 0.817 111.9 45.8 -66.7 -32.6 17.1 -29.4 137.0 38 45 A L H > S+ 0 0 12 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.688 106.7 59.7 -84.3 -20.4 16.1 -29.6 133.3 39 46 A K H X S+ 0 0 39 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.865 102.1 52.4 -75.2 -35.6 19.7 -29.9 132.1 40 47 A Q H X S+ 0 0 120 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.795 108.2 52.4 -69.0 -30.2 20.2 -33.1 134.1 41 48 A K H X S+ 0 0 112 -4,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.809 110.7 46.6 -75.1 -32.2 17.1 -34.5 132.4 42 49 A F H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.777 108.5 54.9 -80.1 -30.1 18.5 -33.7 129.0 43 50 A K H X S+ 0 0 71 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.887 108.0 51.1 -67.7 -37.3 21.9 -35.2 129.8 44 51 A R H X S+ 0 0 147 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.884 111.4 47.1 -65.7 -41.7 20.0 -38.4 130.7 45 52 A L H < S+ 0 0 49 -4,-1.3 4,-0.3 2,-0.2 -2,-0.2 0.870 114.7 45.8 -69.7 -39.1 18.2 -38.3 127.3 46 53 A C H <>S+ 0 0 4 -4,-2.2 5,-0.5 2,-0.2 3,-0.4 0.861 113.0 48.3 -73.4 -38.2 21.4 -37.7 125.3 47 54 A E H <5S+ 0 0 139 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.784 117.0 43.4 -73.4 -28.1 23.5 -40.3 127.1 48 55 A N T <5S+ 0 0 68 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.413 92.1 84.6 -96.8 0.6 20.8 -42.9 126.7 49 56 A S T 5S- 0 0 3 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.682 89.2-136.5 -75.0 -18.6 20.0 -42.0 123.1 50 57 A R T 5 + 0 0 144 -3,-0.3 2,-0.4 -4,-0.3 271,-0.1 0.748 61.8 130.6 63.8 27.5 22.9 -44.2 121.8 51 58 A I < - 0 0 11 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.938 36.7-178.7-110.4 130.9 23.9 -41.4 119.4 52 59 A E + 0 0 93 266,-2.7 -33,-2.5 -2,-0.4 -32,-0.5 0.789 70.0 0.4 -95.9 -38.8 27.5 -40.3 119.3 53 60 A K E -I 18 0B 24 265,-2.1 -1,-0.4 -35,-0.3 2,-0.3 -0.989 54.9-168.4-153.2 155.6 27.1 -37.6 116.7 54 61 A R E -I 17 0B 2 -37,-1.8 -37,-3.4 -2,-0.3 2,-0.5 -0.961 20.4-133.0-140.5 154.8 24.6 -35.7 114.5 55 62 A Y E +I 16 0B 48 265,-0.5 148,-2.5 148,-0.4 2,-0.3 -0.967 31.9 178.2-113.9 119.6 24.8 -33.3 111.6 56 63 A L - 0 0 1 -41,-1.9 -41,-0.4 -2,-0.5 123,-0.1 -0.956 35.7-143.8-125.8 148.0 22.5 -30.3 111.9 57 64 A H S S+ 0 0 52 -2,-0.3 5,-0.1 -43,-0.1 -1,-0.1 0.821 78.2 95.3 -75.3 -31.4 21.9 -27.2 109.8 58 65 A V + 0 0 1 -43,-0.1 2,-0.3 4,-0.1 -2,-0.2 -0.329 53.5 175.7 -65.2 134.9 21.4 -25.1 113.0 59 66 A T > - 0 0 27 1,-0.1 4,-1.4 -30,-0.0 5,-0.1 -0.808 46.6-103.7-129.3 175.0 24.5 -23.2 114.2 60 67 A E H > S+ 0 0 72 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.877 121.6 56.2 -69.1 -35.9 25.1 -20.7 117.0 61 68 A E H > S+ 0 0 140 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.823 105.1 50.5 -64.7 -35.9 25.2 -17.9 114.4 62 69 A I H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.872 111.1 48.4 -71.5 -38.0 21.7 -18.8 113.1 63 70 A L H < S+ 0 0 7 -4,-1.4 7,-0.3 2,-0.2 -2,-0.2 0.705 110.5 51.4 -75.9 -21.8 20.2 -18.7 116.7 64 71 A K H < S+ 0 0 159 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.803 113.6 43.6 -82.5 -33.6 21.9 -15.4 117.5 65 72 A E H < S+ 0 0 144 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.716 124.2 37.9 -81.5 -26.2 20.5 -13.8 114.3 66 73 A N >X + 0 0 35 -4,-1.4 3,-1.2 -5,-0.1 4,-0.7 -0.791 64.4 171.6-128.1 85.5 17.1 -15.4 114.9 67 74 A P H 3> S+ 0 0 93 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.670 72.9 72.3 -69.2 -15.7 16.3 -15.4 118.7 68 75 A N H 34 S+ 0 0 43 1,-0.2 6,-0.1 2,-0.2 8,-0.1 0.627 95.4 50.9 -73.5 -15.9 12.7 -16.6 118.0 69 76 A I H <4 S+ 0 0 0 -3,-1.2 117,-0.3 -6,-0.2 -1,-0.2 0.750 102.2 61.5 -89.9 -28.0 14.0 -20.1 117.1 70 77 A A H < S+ 0 0 10 -4,-0.7 -2,-0.2 -7,-0.3 2,-0.1 0.653 96.7 73.9 -71.9 -18.9 16.1 -20.2 120.4 71 78 A A S < S- 0 0 42 -4,-0.5 115,-1.1 114,-0.1 3,-0.2 -0.464 86.3-122.1 -91.2 166.2 12.8 -19.9 122.4 72 79 A Y S S+ 0 0 35 1,-0.3 2,-0.6 113,-0.3 -1,-0.1 0.991 96.0 14.3 -71.3 -68.4 10.2 -22.7 122.9 73 80 A E S S+ 0 0 138 112,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.954 82.9 130.0-118.8 110.7 7.1 -21.1 121.5 74 81 A A S S- 0 0 29 -2,-0.6 2,-1.5 -3,-0.2 3,-0.1 -0.958 70.6 -88.2-152.1 152.9 7.5 -17.9 119.5 75 82 A T S S+ 0 0 66 -2,-0.3 172,-0.2 1,-0.2 -7,-0.1 -0.517 76.1 132.2 -69.3 90.6 6.2 -16.8 116.1 76 83 A S > + 0 0 0 170,-1.7 4,-1.6 -2,-1.5 3,-0.2 0.357 22.1 106.0-128.5 5.6 9.1 -18.3 114.1 77 84 A L H > S+ 0 0 5 169,-2.3 4,-3.3 1,-0.2 5,-0.2 0.885 79.2 56.5 -57.6 -42.9 7.7 -20.4 111.1 78 85 A N H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 110.3 42.9 -57.7 -43.9 8.7 -17.8 108.4 79 86 A V H > S+ 0 0 40 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.829 117.5 47.2 -73.3 -29.9 12.4 -17.7 109.3 80 87 A R H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.918 110.2 53.5 -73.7 -44.2 12.5 -21.5 109.7 81 88 A H H X S+ 0 0 24 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.868 104.2 55.0 -56.9 -45.0 10.6 -22.0 106.4 82 89 A K H X S+ 0 0 166 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.905 115.8 38.0 -58.5 -44.0 13.1 -19.9 104.4 83 90 A M H X S+ 0 0 28 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.861 115.5 54.1 -75.9 -37.7 16.1 -22.0 105.7 84 91 A Q H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.922 107.4 48.8 -64.0 -46.3 14.1 -25.3 105.4 85 92 A V H X S+ 0 0 25 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.897 118.5 40.3 -62.2 -41.6 13.1 -24.9 101.8 86 93 A K H X S+ 0 0 148 -4,-1.2 4,-2.2 -5,-0.3 -2,-0.2 0.883 115.6 52.0 -75.0 -39.4 16.7 -24.0 100.7 87 94 A G H X S+ 0 0 8 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.887 107.3 49.4 -66.5 -43.1 18.2 -26.6 103.0 88 95 A V H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.884 114.4 46.9 -65.6 -35.4 16.2 -29.6 101.8 89 96 A A H X S+ 0 0 7 -4,-1.1 4,-2.2 -5,-0.3 -2,-0.2 0.923 113.9 46.3 -71.6 -44.2 16.9 -28.8 98.2 90 97 A E H X S+ 0 0 119 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.902 117.4 42.7 -66.1 -44.3 20.7 -28.3 98.7 91 98 A L H X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.886 114.6 52.0 -69.5 -39.6 21.1 -31.5 100.8 92 99 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.856 106.6 53.0 -65.6 -36.7 18.9 -33.4 98.4 93 100 A K H X S+ 0 0 65 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.920 108.7 49.7 -65.2 -44.5 20.9 -32.2 95.4 94 101 A E H X S+ 0 0 81 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.917 113.8 44.9 -61.9 -44.3 24.2 -33.5 96.9 95 102 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 112,-0.3 0.903 112.9 52.2 -66.3 -41.2 22.6 -36.9 97.8 96 103 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.911 106.5 52.1 -62.2 -44.0 21.1 -37.1 94.3 97 104 A L H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.872 110.5 48.8 -62.3 -36.6 24.4 -36.4 92.5 98 105 A K H X S+ 0 0 94 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.898 112.8 47.3 -70.6 -39.6 26.1 -39.2 94.5 99 106 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.942 111.6 50.7 -66.7 -44.2 23.2 -41.6 93.7 100 107 A I H X S+ 0 0 17 -4,-3.1 4,-1.4 1,-0.2 5,-0.4 0.885 109.2 52.6 -61.3 -38.6 23.3 -40.6 90.0 101 108 A K H < S+ 0 0 178 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.944 110.6 45.1 -63.2 -49.1 27.1 -41.2 89.9 102 109 A E H < S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.881 106.1 62.2 -61.5 -39.4 26.9 -44.7 91.4 103 110 A W H < S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 117,-0.2 0.863 93.6-148.6 -54.9 -41.1 24.0 -45.6 89.0 104 111 A G < + 0 0 44 -4,-1.4 -3,-0.1 -3,-0.4 -1,-0.1 0.390 58.4 104.0 86.7 -2.9 26.3 -45.0 86.0 105 112 A Q S S- 0 0 27 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.777 80.6 -92.5-108.9 154.6 23.7 -43.7 83.6 106 113 A P > - 0 0 69 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.353 32.1-119.1 -65.9 148.5 23.2 -40.1 82.5 107 114 A K G > S+ 0 0 77 1,-0.3 3,-1.7 2,-0.2 30,-0.4 0.694 108.6 75.9 -60.1 -17.9 20.7 -38.1 84.5 108 115 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 28,-0.1 29,-0.0 0.674 85.7 63.9 -67.2 -17.6 18.7 -37.6 81.3 109 116 A K G < S+ 0 0 100 -3,-2.1 2,-0.5 61,-0.0 -1,-0.3 0.437 74.1 109.1 -87.1 -1.3 17.5 -41.2 81.7 110 117 A I < + 0 0 3 -3,-1.7 27,-0.4 1,-0.2 62,-0.2 -0.682 39.3 172.3 -77.6 120.7 15.7 -40.4 85.0 111 118 A T + 0 0 46 60,-2.1 30,-2.8 -2,-0.5 2,-0.3 0.646 60.8 36.1-101.7 -26.7 12.0 -40.6 84.1 112 119 A H E -cd 141 172A 5 59,-1.8 61,-2.9 28,-0.2 2,-0.4 -0.981 59.3-163.0-133.3 147.5 10.5 -40.2 87.6 113 120 A L E -cd 142 173A 0 28,-2.6 30,-2.4 -2,-0.3 2,-0.5 -0.990 3.0-172.6-133.2 122.9 11.4 -38.2 90.7 114 121 A I E -cd 143 174A 0 59,-3.0 61,-3.0 -2,-0.4 2,-0.4 -0.973 9.1-173.5-115.1 121.0 10.0 -38.9 94.2 115 122 A V E -cd 144 175A 0 28,-3.0 30,-3.2 -2,-0.5 2,-0.4 -0.969 4.3-172.9-119.4 135.1 10.9 -36.3 96.8 116 123 A C E +cd 145 176A 0 59,-2.8 61,-2.2 -2,-0.4 2,-0.4 -0.987 7.1 172.7-129.9 120.3 10.1 -36.7 100.5 117 124 A C E -c 146 0A 0 28,-2.8 30,-1.6 -2,-0.4 31,-0.3 -0.996 31.6-146.5-132.7 129.8 10.6 -34.0 103.1 118 125 A L S S- 0 0 1 -2,-0.4 2,-0.3 59,-0.3 29,-0.1 0.875 89.0 -11.9 -55.5 -41.3 9.6 -33.9 106.7 119 126 A A S S+ 0 0 1 60,-0.1 60,-0.2 27,-0.1 -1,-0.2 -0.965 83.4 103.5-156.0 164.9 9.0 -30.2 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0.827 108.5 50.6 -63.0 -31.5 5.9 -60.1 114.4 267 274 A T H > S+ 0 0 71 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.907 111.5 47.1 -72.1 -42.2 2.5 -59.5 112.7 268 275 A C H X S+ 0 0 6 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.871 113.9 48.7 -66.2 -38.5 4.1 -57.3 110.0 269 276 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.896 112.2 48.2 -68.8 -41.0 6.8 -60.0 109.5 270 277 A S H X S+ 0 0 48 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.932 111.2 49.5 -66.7 -44.7 4.2 -62.8 109.3 271 278 A D H < S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.832 119.6 38.7 -63.6 -32.4 2.0 -60.9 106.8 272 279 A A H < S+ 0 0 12 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.849 124.1 35.5 -87.2 -36.8 5.1 -60.2 104.6 273 280 A F H ><>S+ 0 0 0 -4,-2.8 5,-2.5 -5,-0.1 3,-0.7 0.604 95.0 77.6 -99.6 -11.8 7.0 -63.5 104.9 274 281 A T G ><5S+ 0 0 88 -4,-2.2 3,-1.6 1,-0.2 -1,-0.1 0.885 93.5 53.5 -66.4 -38.2 4.3 -66.2 105.1 275 282 A P G 3 5S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.665 111.6 48.3 -70.7 -11.2 3.6 -66.1 101.3 276 283 A L G < 5S- 0 0 58 -3,-0.7 -2,-0.2 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313 A E > - 0 0 96 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.397 34.4-103.5 -75.1 156.3 20.6 -61.8 117.8 307 314 A K G > S+ 0 0 147 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.846 117.8 58.2 -51.2 -39.1 22.8 -58.8 118.6 308 315 A E G > S+ 0 0 109 1,-0.2 3,-0.8 2,-0.1 4,-0.3 0.594 87.7 77.9 -71.1 -12.1 24.3 -58.7 115.1 309 316 A K G < S+ 0 0 12 -3,-1.7 -23,-0.6 1,-0.2 3,-0.3 0.896 103.5 30.9 -66.4 -44.2 21.0 -58.3 113.3 310 317 A L G <> S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.5 -1,-0.2 0.119 87.2 115.6-101.6 22.5 20.5 -54.6 114.0 311 318 A K H <> S+ 0 0 120 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.916 80.0 41.2 -56.2 -50.4 24.3 -53.8 114.0 312 319 A V H > S+ 0 0 5 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.891 114.5 53.2 -66.7 -40.6 24.2 -51.6 110.9 313 320 A T H > S+ 0 0 0 -27,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.919 111.9 45.0 -60.0 -45.5 20.9 -49.9 112.1 314 321 A R H X S+ 0 0 47 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.865 110.0 55.4 -67.7 -36.1 22.5 -49.1 115.5 315 322 A Q H X S+ 0 0 37 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.882 108.3 48.0 -65.9 -38.4 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