==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-SEP-00 1FXP . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.S.DUEWEL,S.RADAEV,J.WANG,R.W.WOODARD,D.L.GATTI . 503 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3 0 0 1 3 0 2 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 6 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 1002 A E 0 0 196 0, 0.0 33,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 139.5 9.0 48.2 30.3 2 1003 A K - 0 0 106 1,-0.1 33,-0.2 33,-0.1 2,-0.2 -0.276 360.0-121.8 -53.5 124.7 11.4 50.8 31.6 3 1004 A F E -a 35 0A 3 31,-0.9 33,-3.1 1,-0.1 2,-0.4 -0.475 23.5-133.5 -71.9 139.2 13.4 52.4 28.7 4 1005 A L E -ab 36 208A 6 203,-2.0 205,-2.4 31,-0.2 2,-0.5 -0.800 18.9-172.3-100.7 132.0 17.1 52.1 29.1 5 1006 A V E -ab 37 209A 0 31,-2.5 33,-2.1 -2,-0.4 2,-0.6 -0.962 3.0-170.3-123.9 111.7 19.5 55.0 28.4 6 1007 A I E +ab 38 210A 0 203,-3.0 205,-3.0 -2,-0.5 2,-0.3 -0.912 24.7 152.7-101.6 120.5 23.2 54.1 28.4 7 1008 A A E +ab 39 211A 2 31,-2.2 33,-2.2 -2,-0.6 205,-0.2 -0.994 2.4 110.7-150.7 155.7 25.3 57.2 28.4 8 1009 A G E - b 0 212A 1 203,-1.2 205,-2.0 -2,-0.3 33,-0.1 -0.904 66.8 -48.0 160.5 173.9 28.7 58.6 29.4 9 1010 A P - 0 0 0 0, 0.0 33,-0.3 0, 0.0 205,-0.1 -0.446 50.9-124.4 -69.5 142.8 32.0 59.9 28.0 10 1011 A C S S+ 0 0 0 212,-0.2 32,-2.4 31,-0.2 2,-0.3 0.950 91.7 23.8 -49.1 -57.9 33.5 57.5 25.4 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.2 211,-0.2 3,-0.2 -0.803 83.8-112.2-114.7 152.7 36.8 57.1 27.2 12 1013 A I + 0 0 2 30,-2.3 45,-0.3 -2,-0.3 3,-0.1 -0.533 44.4 167.3 -81.3 75.2 37.8 57.5 30.9 13 1014 A E - 0 0 30 -2,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.833 68.3 -26.4 -58.7 -34.1 39.9 60.6 30.2 14 1015 A S > - 0 0 37 -3,-0.2 4,-1.5 1,-0.1 -1,-0.2 -0.948 60.6-105.4-173.6 160.2 40.1 61.2 34.0 15 1016 A E H > S+ 0 0 39 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.757 118.8 58.1 -68.4 -23.1 38.1 60.5 37.1 16 1017 A E H > S+ 0 0 159 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 102.3 52.3 -72.0 -43.3 37.0 64.2 37.2 17 1018 A L H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 109.3 51.4 -57.1 -44.2 35.4 64.0 33.7 18 1019 A L H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 -1,-0.2 0.896 109.1 48.3 -61.6 -43.2 33.4 60.9 34.9 19 1020 A L H X S+ 0 0 36 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.858 110.1 53.1 -67.4 -34.0 32.1 62.6 38.0 20 1021 A K H X S+ 0 0 109 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.911 115.8 39.0 -66.9 -42.4 31.1 65.7 35.9 21 1022 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.908 114.3 54.6 -73.4 -41.5 29.1 63.5 33.5 22 1023 A G H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.856 102.7 58.1 -59.5 -35.4 27.8 61.3 36.3 23 1024 A E H X S+ 0 0 128 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.946 110.5 41.7 -59.6 -49.6 26.5 64.4 38.1 24 1025 A E H X S+ 0 0 31 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.882 113.3 52.4 -66.7 -40.3 24.3 65.3 35.1 25 1026 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.891 109.8 50.0 -64.6 -36.3 23.3 61.7 34.4 26 1027 A K H X S+ 0 0 64 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.911 109.5 51.5 -66.6 -41.6 22.2 61.4 38.1 27 1028 A R H >X S+ 0 0 114 -4,-2.0 4,-1.5 1,-0.2 3,-0.6 0.941 111.5 46.9 -59.9 -47.2 20.2 64.7 37.7 28 1029 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.819 106.1 59.2 -65.6 -30.2 18.4 63.4 34.6 29 1030 A S H 3< S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.792 105.5 49.3 -69.4 -27.4 17.7 60.0 36.4 30 1031 A E H << S+ 0 0 95 -4,-1.3 3,-0.4 -3,-0.6 -1,-0.2 0.826 116.7 42.2 -78.9 -33.4 15.8 61.9 39.1 31 1032 A K H < S+ 0 0 111 -4,-1.5 2,-1.5 1,-0.2 -2,-0.2 0.960 116.1 46.1 -76.0 -55.1 13.8 63.8 36.4 32 1033 A F >< + 0 0 4 -4,-3.4 3,-2.0 1,-0.2 -1,-0.2 -0.543 67.1 164.1 -90.1 71.7 13.2 60.9 34.0 33 1034 A K T 3 S+ 0 0 138 -2,-1.5 -1,-0.2 -3,-0.4 -4,-0.1 0.615 70.0 64.4 -65.3 -12.2 12.1 58.4 36.6 34 1035 A E T 3 S+ 0 0 96 -3,-0.1 -31,-0.9 -32,-0.0 2,-0.4 0.490 93.1 80.2 -88.5 -3.2 10.6 56.2 33.9 35 1036 A V E < S-a 3 0A 4 -3,-2.0 2,-0.7 -6,-0.2 -31,-0.2 -0.827 72.0-142.4-106.4 143.2 14.1 55.7 32.5 36 1037 A E E -a 4 0A 50 -33,-3.1 -31,-2.5 -2,-0.4 2,-0.3 -0.913 25.1-156.0-102.4 113.0 16.7 53.2 33.7 37 1038 A F E -a 5 0A 16 -2,-0.7 39,-0.7 -33,-0.2 2,-0.4 -0.693 13.1-172.3 -93.8 145.5 20.1 55.0 33.3 38 1039 A V E -ac 6 76A 0 -33,-2.1 -31,-2.2 -2,-0.3 2,-0.4 -0.990 20.6-134.6-135.5 123.3 23.4 53.2 33.0 39 1040 A F E -ac 7 77A 0 37,-2.8 39,-2.1 -2,-0.4 2,-0.4 -0.669 26.2-166.1 -82.7 128.3 26.7 55.1 33.1 40 1041 A K E + c 0 78A 3 -33,-2.2 2,-0.3 -2,-0.4 39,-0.2 -0.920 22.0 141.8-122.3 141.7 29.2 54.1 30.4 41 1042 A S - 0 0 0 37,-1.2 2,-0.4 -2,-0.4 -30,-0.2 -0.870 39.2-123.2-170.4 140.0 32.9 54.8 29.8 42 1043 A S B -i 11 0B 0 -32,-2.4 -30,-2.3 -33,-0.3 3,-0.1 -0.757 4.0-159.0 -93.6 130.5 35.8 52.7 28.5 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.8 37,-0.3 14,-0.3 0.649 86.4 23.0 -78.8 -13.6 38.9 52.1 30.5 44 1045 A D - 0 0 19 36,-0.2 2,-1.1 12,-0.1 -1,-0.2 -0.951 57.8-152.2-156.6 132.4 40.7 51.3 27.2 45 1046 A K > + 0 0 21 10,-1.7 3,-0.7 -2,-0.3 11,-0.1 -0.824 30.4 171.3 -99.8 87.7 40.2 52.1 23.6 46 1047 A A T 3 + 0 0 3 -2,-1.1 315,-1.8 1,-0.2 316,-0.4 0.380 66.2 50.0 -83.1 3.1 42.0 48.9 22.4 47 1048 A N T 3 + 0 0 42 313,-0.2 -1,-0.2 314,-0.1 313,-0.1 0.083 68.4 149.0-131.2 26.4 41.1 49.2 18.8 48 1049 A R < - 0 0 52 -3,-0.7 313,-0.1 1,-0.1 7,-0.0 -0.230 50.9-127.7 -58.4 151.3 42.0 52.7 17.7 49 1050 A S S S+ 0 0 50 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.918 91.8 53.4 -67.3 -43.2 43.1 53.0 14.0 50 1051 A S S > S- 0 0 23 1,-0.1 3,-1.3 4,-0.1 -2,-0.1 -0.771 70.7-143.9-101.3 139.9 46.4 54.8 14.9 51 1052 A I T 3 S+ 0 0 27 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.718 104.5 61.0 -66.8 -19.6 49.0 53.7 17.4 52 1053 A H T 3 S+ 0 0 140 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.571 84.7 101.2 -84.7 -10.5 49.4 57.4 18.2 53 1054 A S S < S- 0 0 40 -3,-1.3 -5,-0.1 1,-0.1 2,-0.1 -0.363 84.5 -88.1 -77.7 156.8 45.8 57.8 19.4 54 1055 A F + 0 0 51 167,-0.5 -1,-0.1 1,-0.1 -6,-0.1 -0.348 42.7 171.2 -63.2 135.4 44.7 57.9 23.1 55 1056 A R - 0 0 57 1,-0.3 -10,-1.7 -11,-0.1 2,-0.3 0.746 43.4-102.0-113.1 -46.1 43.9 54.6 24.7 56 1057 A G - 0 0 27 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.942 30.5 -75.6 149.6-170.8 43.4 55.3 28.4 57 1058 A H S S- 0 0 99 -14,-0.3 4,-0.4 1,-0.3 -13,-0.1 0.164 81.6 -84.8-111.2 17.3 45.0 55.0 31.8 58 1059 A G > - 0 0 37 -15,-0.8 4,-2.3 2,-0.1 -1,-0.3 0.003 38.6 -83.4 99.4 155.1 44.6 51.3 32.4 59 1060 A L H > S+ 0 0 25 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.905 123.1 54.9 -61.1 -45.1 42.0 48.9 33.7 60 1061 A E H > S+ 0 0 177 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 112.1 41.9 -54.1 -55.7 42.9 49.5 37.4 61 1062 A Y H > S+ 0 0 84 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.916 115.9 50.6 -59.1 -46.9 42.5 53.2 37.2 62 1063 A G H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.912 109.2 48.5 -59.9 -47.7 39.3 52.9 35.1 63 1064 A V H X S+ 0 0 13 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.895 112.4 50.4 -60.5 -41.1 37.6 50.4 37.4 64 1065 A K H X S+ 0 0 123 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.891 110.9 49.1 -64.2 -40.2 38.4 52.6 40.4 65 1066 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.939 112.2 47.6 -65.0 -47.4 37.0 55.7 38.5 66 1067 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.902 108.3 54.7 -60.8 -41.8 33.8 53.8 37.6 67 1068 A R H X S+ 0 0 91 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.862 105.5 54.7 -60.7 -33.8 33.4 52.6 41.2 68 1069 A K H X S+ 0 0 75 -4,-1.5 4,-3.5 2,-0.2 5,-0.3 0.914 107.2 49.9 -64.8 -43.7 33.6 56.2 42.3 69 1070 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 6,-0.5 0.947 114.0 43.9 -59.9 -50.2 30.7 57.1 40.0 70 1071 A K H X S+ 0 0 65 -4,-2.5 4,-1.9 3,-0.2 -2,-0.2 0.896 118.1 45.9 -62.1 -40.6 28.5 54.3 41.2 71 1072 A E H < S+ 0 0 142 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.937 119.0 39.2 -67.8 -49.3 29.5 55.1 44.8 72 1073 A E H < S+ 0 0 98 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.796 133.6 21.1 -74.1 -31.2 29.0 58.8 44.6 73 1074 A F H < S- 0 0 25 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.557 92.7-125.6-116.4 -11.3 25.9 58.8 42.4 74 1075 A G < + 0 0 57 -4,-1.9 2,-0.3 -5,-0.5 -4,-0.2 0.851 56.6 152.4 69.0 33.6 24.3 55.4 42.8 75 1076 A L - 0 0 10 -6,-0.5 -1,-0.2 1,-0.1 -37,-0.1 -0.747 49.5-112.9-100.4 145.5 24.3 54.7 39.1 76 1077 A K E -c 38 0A 89 -39,-0.7 -37,-2.8 -2,-0.3 2,-0.3 -0.371 39.4-139.1 -67.8 155.7 24.5 51.4 37.3 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.6 -39,-0.2 19,-1.9 -0.917 23.9 177.1-126.7 148.0 27.7 50.9 35.4 78 1079 A T E +cd 40 96A 0 -39,-2.1 -37,-1.2 -2,-0.3 2,-0.3 -0.994 8.5 158.9-145.9 140.9 28.8 49.4 32.1 79 1080 A T E - d 0 97A 1 17,-1.1 19,-2.8 -2,-0.3 2,-0.3 -0.958 35.3-107.2-152.9 162.7 32.2 49.2 30.4 80 1081 A D E - d 0 98A 10 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.728 20.2-148.6-102.4 147.0 33.7 47.0 27.6 81 1082 A I - 0 0 0 17,-2.0 3,-0.1 -2,-0.3 32,-0.0 -0.800 8.5-170.3-108.8 155.8 36.3 44.2 27.8 82 1083 A H S S+ 0 0 18 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.602 71.2 26.4-119.6 -20.3 38.8 43.3 25.2 83 1084 A E S > S- 0 0 24 26,-0.1 3,-1.7 254,-0.1 4,-0.4 -0.973 84.0-106.0-143.1 154.0 40.3 40.0 26.3 84 1085 A S G > S+ 0 0 29 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.792 111.1 62.2 -48.8 -42.8 38.9 37.2 28.5 85 1086 A W G 3 S+ 0 0 146 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.706 94.5 64.7 -62.1 -19.8 41.0 37.9 31.7 86 1087 A Q G <> S+ 0 0 11 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.690 83.0 76.3 -78.7 -17.5 39.4 41.4 32.0 87 1088 A A H <> S+ 0 0 2 -3,-1.5 4,-2.6 -4,-0.4 -1,-0.2 0.907 92.7 50.8 -60.0 -45.6 35.9 40.0 32.7 88 1089 A E H > S+ 0 0 157 -4,-0.5 4,-0.6 -3,-0.3 -1,-0.2 0.974 114.8 39.3 -59.7 -59.1 36.5 39.0 36.2 89 1090 A P H >4 S+ 0 0 39 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.893 118.2 50.0 -60.0 -38.0 38.0 42.3 37.5 90 1091 A V H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-2.2 0.887 98.9 65.2 -67.0 -39.2 35.5 44.3 35.5 91 1092 A A H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.1 0.667 86.0 75.7 -58.7 -16.0 32.5 42.4 36.8 92 1093 A E T << S+ 0 0 137 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.765 118.1 9.6 -68.1 -24.5 33.4 43.8 40.2 93 1094 A V T <4 S+ 0 0 2 -3,-2.2 2,-0.4 -4,-0.2 -16,-0.3 0.633 107.9 92.0-124.6 -30.3 31.9 47.2 39.3 94 1095 A A < - 0 0 0 -4,-2.7 -16,-0.2 1,-0.2 3,-0.2 -0.571 44.8-171.8 -78.2 126.3 30.1 46.7 35.9 95 1096 A D S S+ 0 0 49 -18,-2.6 24,-1.9 -2,-0.4 2,-0.4 0.783 86.6 31.5 -80.4 -32.3 26.5 45.9 36.0 96 1097 A I E S-de 78 119A 3 -19,-1.9 -17,-1.1 22,-0.2 2,-0.6 -0.995 78.1-148.0-129.4 123.8 26.6 45.3 32.3 97 1098 A I E -de 79 120A 0 22,-3.3 24,-2.7 -2,-0.4 2,-0.4 -0.831 18.6-145.3 -94.0 125.4 29.7 44.0 30.5 98 1099 A Q E -de 80 121A 6 -19,-2.8 -17,-2.0 -2,-0.6 24,-0.2 -0.745 4.3-151.8 -95.6 136.7 30.0 45.4 27.0 99 1100 A I E - e 0 122A 0 22,-2.9 24,-2.5 -2,-0.4 5,-0.1 -0.932 25.1-120.4-108.5 118.2 31.4 43.4 24.1 100 1101 A P > - 0 0 10 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.182 21.5-116.2 -55.9 147.8 33.1 45.5 21.3 101 1102 A A G > S+ 0 0 10 1,-0.3 3,-1.2 2,-0.2 24,-0.2 0.848 114.1 51.4 -53.9 -44.6 31.6 45.2 17.8 102 1103 A F G 3 S+ 0 0 11 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.759 112.9 48.1 -67.3 -22.6 34.8 43.7 16.2 103 1104 A L G X S+ 0 0 3 -3,-1.0 3,-1.9 1,-0.2 -1,-0.2 0.264 73.3 112.8-101.9 11.5 34.8 41.1 19.0 104 1105 A C T < S+ 0 0 1 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.599 82.7 44.2 -62.5 -12.6 31.2 40.0 18.8 105 1106 A R T 3 S+ 0 0 60 -3,-0.3 2,-1.3 -4,-0.1 -1,-0.3 0.366 78.6 116.1-110.9 2.2 32.2 36.5 17.5 106 1107 A Q X> - 0 0 16 -3,-1.9 4,-2.0 1,-0.2 3,-0.7 -0.598 51.5-161.8 -76.3 98.3 35.1 35.9 19.9 107 1108 A T H 3> S+ 0 0 2 193,-1.9 4,-2.5 -2,-1.3 5,-0.2 0.866 83.0 49.5 -48.0 -51.7 33.7 32.9 21.8 108 1109 A D H 3> S+ 0 0 63 192,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.815 109.4 52.5 -63.1 -31.2 36.0 33.0 24.8 109 1110 A L H <> S+ 0 0 4 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.936 111.8 45.7 -70.0 -44.9 35.4 36.7 25.4 110 1111 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.905 113.9 49.3 -62.2 -42.5 31.6 36.1 25.4 111 1112 A L H X S+ 0 0 31 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.870 108.5 54.0 -64.7 -37.4 32.0 33.1 27.7 112 1113 A A H < S+ 0 0 11 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.911 112.2 42.9 -64.2 -43.7 34.2 35.1 30.0 113 1114 A A H ><>S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 5,-0.5 0.939 111.8 55.4 -67.9 -45.8 31.6 37.9 30.4 114 1115 A A H ><5S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.852 101.6 54.9 -56.8 -42.3 28.7 35.4 30.7 115 1116 A K T 3<5S+ 0 0 161 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.623 90.5 76.1 -71.5 -10.7 30.1 33.4 33.6 116 1117 A T T < 5S- 0 0 33 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.674 102.8-124.7 -72.6 -17.0 30.5 36.6 35.8 117 1118 A G T < 5S+ 0 0 43 -3,-1.3 29,-0.1 1,-0.3 -3,-0.1 0.336 71.5 122.3 89.1 -7.9 26.7 36.6 36.4 118 1119 A R S - 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