==== 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 TRANSFERASE 16-NOV-06 2NWR . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR F.KONA,X.XU,P.MARTIN,P.KUZMIC,D.L.GATTI . 512 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 17.2 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 4 0 0 1 2 1 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 0 204 0, 0.0 2,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 145.7 9.0 48.0 30.3 2 1003 A K - 0 0 112 1,-0.1 2,-0.3 33,-0.1 33,-0.2 -0.320 360.0-123.1 -57.9 126.8 11.4 50.5 31.7 3 1004 A F E -a 35 0A 2 31,-1.1 33,-3.2 -2,-0.1 2,-0.4 -0.525 21.0-134.7 -75.9 134.8 13.4 52.1 28.8 4 1005 A L E -ab 36 212A 5 207,-2.0 209,-2.3 -2,-0.3 2,-0.5 -0.742 18.7-173.8 -94.8 133.9 17.2 51.9 29.0 5 1006 A V E -ab 37 213A 0 31,-2.5 33,-2.3 -2,-0.4 2,-0.7 -0.956 3.7-169.3-126.6 109.7 19.5 54.8 28.4 6 1007 A I E +ab 38 214A 1 207,-2.9 209,-2.8 -2,-0.5 2,-0.3 -0.899 26.2 152.7 -99.6 116.4 23.2 54.0 28.3 7 1008 A A E +ab 39 215A 3 31,-2.2 33,-2.1 -2,-0.7 209,-0.2 -0.983 3.0 103.1-147.1 157.9 25.2 57.2 28.3 8 1009 A G E - b 0 216A 0 207,-0.9 209,-1.5 -2,-0.3 2,-0.2 -0.884 70.0 -42.6 155.0 176.3 28.5 58.7 29.3 9 1010 A P - 0 0 0 0, 0.0 33,-0.3 0, 0.0 209,-0.1 -0.481 51.8-124.9 -70.7 137.2 31.8 59.9 27.8 10 1011 A N S S+ 0 0 0 216,-0.2 32,-2.4 -2,-0.2 2,-0.3 0.897 91.6 24.2 -46.9 -50.5 33.3 57.5 25.2 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.2 215,-0.2 3,-0.2 -0.876 84.2-111.0-121.9 152.9 36.6 57.1 27.1 12 1013 A I + 0 0 2 30,-2.3 45,-0.3 -2,-0.3 3,-0.1 -0.516 43.8 167.2 -80.3 75.7 37.6 57.6 30.7 13 1014 A E S S- 0 0 30 -2,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.796 70.1 -26.3 -60.4 -28.7 39.7 60.7 30.0 14 1015 A S > - 0 0 34 -3,-0.2 4,-1.6 1,-0.1 -1,-0.2 -0.929 60.0-107.8-177.4 159.0 39.9 61.2 33.7 15 1016 A E H > S+ 0 0 39 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.858 118.7 58.3 -67.3 -33.4 37.9 60.5 36.9 16 1017 A E H > S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 102.9 51.9 -62.3 -43.1 36.9 64.1 37.0 17 1018 A L H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.929 109.3 51.2 -58.2 -46.1 35.3 64.0 33.6 18 1019 A L H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.890 109.1 49.5 -58.3 -43.6 33.3 60.9 34.7 19 1020 A L H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.851 108.8 53.5 -66.0 -35.2 32.0 62.7 37.8 20 1021 A K H X S+ 0 0 111 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.933 116.1 37.6 -65.9 -46.0 31.0 65.7 35.8 21 1022 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.912 114.6 56.7 -71.3 -41.6 28.9 63.6 33.3 22 1023 A G H X S+ 0 0 0 -4,-3.2 4,-2.6 -5,-0.3 -2,-0.2 0.889 101.6 56.2 -56.0 -42.4 27.8 61.4 36.2 23 1024 A E H X S+ 0 0 129 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 111.0 43.9 -57.0 -44.7 26.3 64.3 38.1 24 1025 A E H X S+ 0 0 32 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.898 111.6 51.8 -68.6 -42.1 24.2 65.3 35.1 25 1026 A I H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.893 109.8 52.0 -62.3 -36.3 23.1 61.7 34.4 26 1027 A K H X S+ 0 0 62 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.941 107.9 50.3 -63.9 -47.4 22.1 61.5 38.0 27 1028 A R H >X S+ 0 0 113 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.930 112.7 47.4 -56.0 -46.3 20.0 64.7 37.8 28 1029 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.824 105.6 57.9 -66.0 -33.1 18.3 63.3 34.7 29 1030 A S H 3< S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 105.5 51.8 -68.8 -24.8 17.6 59.9 36.4 30 1031 A E H << S+ 0 0 95 -4,-1.3 3,-0.3 -3,-0.6 -1,-0.2 0.819 116.5 39.7 -78.8 -31.6 15.7 61.8 39.1 31 1032 A K H < S+ 0 0 111 -4,-1.2 2,-1.6 1,-0.2 -2,-0.2 0.941 115.7 48.4 -81.1 -53.2 13.6 63.5 36.5 32 1033 A F >< + 0 0 5 -4,-3.4 3,-1.8 1,-0.2 -1,-0.2 -0.570 66.1 165.0 -90.6 73.8 13.0 60.7 34.0 33 1034 A K T 3 + 0 0 139 -2,-1.6 -1,-0.2 -3,-0.3 -2,-0.1 0.685 69.8 64.0 -63.8 -19.5 12.0 58.1 36.6 34 1035 A E T 3 S+ 0 0 95 -3,-0.2 -31,-1.1 -32,-0.1 2,-0.4 0.474 92.8 82.5 -83.7 -0.8 10.6 55.8 33.8 35 1036 A V E < S-a 3 0A 5 -3,-1.8 2,-0.8 -33,-0.2 -31,-0.2 -0.858 70.7-144.4-108.3 138.3 14.1 55.5 32.4 36 1037 A E E -a 4 0A 48 -33,-3.2 -31,-2.5 -2,-0.4 2,-0.3 -0.884 24.4-155.8 -99.3 108.6 16.8 53.1 33.6 37 1038 A F E -a 5 0A 15 -2,-0.8 39,-0.8 -33,-0.2 2,-0.4 -0.669 12.1-172.3 -89.1 141.4 20.1 54.9 33.2 38 1039 A V E -ac 6 76A 1 -33,-2.3 -31,-2.2 -2,-0.3 2,-0.5 -0.992 20.5-134.1-133.4 122.6 23.4 53.1 32.9 39 1040 A F E -ac 7 77A 0 37,-2.8 39,-2.4 -2,-0.4 2,-0.4 -0.666 25.5-165.6 -81.7 124.5 26.7 55.1 32.9 40 1041 A K E + c 0 78A 2 -33,-2.1 2,-0.2 -2,-0.5 39,-0.2 -0.906 22.6 141.9-118.1 139.9 29.1 54.1 30.2 41 1042 A S - 0 0 0 37,-1.2 2,-0.4 -2,-0.4 -30,-0.2 -0.800 40.4-124.7-170.6 129.9 32.8 54.8 29.6 42 1043 A S B -i 11 0B 0 -32,-2.4 -30,-2.3 -33,-0.3 3,-0.1 -0.631 4.7-158.4 -81.9 129.9 35.6 52.7 28.2 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.8 37,-0.3 2,-0.3 0.649 86.0 22.2 -78.4 -14.1 38.7 52.2 30.4 44 1045 A D - 0 0 17 36,-0.2 2,-1.1 12,-0.1 -1,-0.2 -0.964 59.6-149.9-155.9 134.9 40.6 51.4 27.1 45 1046 A K > + 0 0 17 10,-1.6 3,-0.8 -2,-0.3 11,-0.1 -0.829 29.1 172.1-101.7 87.6 40.1 52.1 23.4 46 1047 A A T 3 + 0 0 3 -2,-1.1 319,-1.6 1,-0.2 320,-0.4 0.423 68.2 50.4 -80.3 0.8 41.8 48.8 22.3 47 1048 A N T 3 + 0 0 46 317,-0.2 -1,-0.2 318,-0.1 317,-0.1 0.027 69.0 151.8-129.6 28.8 40.9 49.3 18.7 48 1049 A R < - 0 0 51 -3,-0.8 317,-0.1 1,-0.1 7,-0.0 -0.201 49.1-128.9 -58.0 153.3 42.0 52.8 17.7 49 1050 A S S S+ 0 0 34 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.919 91.8 49.6 -70.0 -41.0 42.9 53.2 14.0 50 1051 A S S > S- 0 0 24 1,-0.1 3,-1.5 4,-0.1 -1,-0.1 -0.808 71.0-141.9-107.4 141.2 46.2 54.9 14.9 51 1052 A I T 3 S+ 0 0 28 -2,-0.4 -1,-0.1 342,-0.3 4,-0.1 0.676 105.6 60.1 -66.6 -16.7 48.9 53.8 17.3 52 1053 A H T 3 S+ 0 0 140 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.524 85.8 101.0 -90.1 -5.9 49.2 57.5 18.1 53 1054 A S S < S- 0 0 42 -3,-1.5 -5,-0.1 1,-0.1 173,-0.1 -0.400 84.9 -86.2 -82.1 157.8 45.6 57.9 19.3 54 1055 A F + 0 0 49 171,-0.5 -1,-0.1 1,-0.1 -4,-0.1 -0.319 43.7 170.5 -60.8 135.5 44.4 58.1 22.9 55 1056 A R - 0 0 53 1,-0.3 -10,-1.6 -11,-0.1 2,-0.3 0.728 43.6-101.4-113.6 -47.6 43.7 54.7 24.5 56 1057 A G - 0 0 26 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.915 30.3 -75.7 149.3-174.9 43.2 55.3 28.2 57 1058 A H S S- 0 0 97 -45,-0.3 4,-0.5 1,-0.3 -13,-0.1 0.144 80.8 -88.9-106.7 19.2 44.7 55.2 31.7 58 1059 A G > - 0 0 35 -15,-0.8 4,-2.4 3,-0.1 -1,-0.3 0.050 38.8 -80.7 93.8 156.1 44.5 51.4 32.2 59 1060 A L H > S+ 0 0 32 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.914 124.1 53.1 -58.9 -48.8 42.0 49.0 33.6 60 1061 A E H > S+ 0 0 171 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.946 113.2 42.1 -54.5 -54.4 42.9 49.6 37.3 61 1062 A Y H > S+ 0 0 84 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.920 116.3 50.7 -59.2 -46.5 42.4 53.4 37.0 62 1063 A G H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.912 109.4 47.2 -60.2 -48.6 39.3 53.0 34.9 63 1064 A V H X S+ 0 0 10 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.893 112.0 52.7 -61.6 -39.0 37.5 50.5 37.2 64 1065 A K H X S+ 0 0 122 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.899 110.5 47.1 -63.2 -41.5 38.3 52.8 40.2 65 1066 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.908 113.0 48.3 -67.8 -42.2 36.9 55.8 38.4 66 1067 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 108.8 54.1 -65.1 -38.5 33.7 53.9 37.4 67 1068 A R H X S+ 0 0 95 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.861 105.9 53.8 -63.4 -33.8 33.4 52.6 41.0 68 1069 A K H X S+ 0 0 75 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.879 107.2 50.6 -67.9 -37.7 33.5 56.3 42.1 69 1070 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 6,-0.6 0.937 112.7 45.9 -64.5 -46.0 30.6 57.2 39.8 70 1071 A K H X S+ 0 0 57 -4,-2.3 4,-1.8 3,-0.2 -2,-0.2 0.889 116.6 45.4 -63.6 -40.2 28.5 54.3 41.1 71 1072 A E H < S+ 0 0 145 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.918 117.9 40.6 -71.2 -45.3 29.4 55.2 44.7 72 1073 A E H < S+ 0 0 96 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.824 133.4 20.9 -75.2 -31.4 28.8 58.9 44.5 73 1074 A F H < S- 0 0 21 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.531 91.8-126.6-116.6 -8.7 25.7 58.8 42.3 74 1075 A G < + 0 0 60 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.2 0.838 56.9 152.0 65.4 32.2 24.2 55.3 42.7 75 1076 A L - 0 0 9 -6,-0.6 -1,-0.2 1,-0.1 -37,-0.1 -0.719 48.9-113.7 -97.7 146.2 24.2 54.8 39.0 76 1077 A K E -c 38 0A 92 -39,-0.8 -37,-2.8 -2,-0.3 2,-0.4 -0.372 37.0-138.3 -70.5 159.0 24.5 51.4 37.2 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.3 -39,-0.2 19,-1.9 -0.938 23.4 177.6-128.8 145.7 27.7 50.9 35.2 78 1079 A T E +cd 40 96A 0 -39,-2.4 -37,-1.2 -2,-0.4 2,-0.3 -0.996 9.8 158.5-142.7 140.9 28.8 49.5 31.9 79 1080 A T E - d 0 97A 0 17,-1.0 19,-2.5 -2,-0.3 2,-0.3 -0.962 35.8-107.1-154.1 159.1 32.2 49.3 30.2 80 1081 A D E - d 0 98A 10 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.644 20.5-147.9 -97.6 150.7 33.6 47.1 27.5 81 1082 A I - 0 0 0 17,-2.0 3,-0.1 -2,-0.3 32,-0.0 -0.849 8.5-170.3-112.8 153.9 36.2 44.3 27.8 82 1083 A H S S+ 0 0 19 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.608 70.7 27.0-118.6 -20.6 38.8 43.4 25.1 83 1084 A E S > S- 0 0 24 26,-0.1 3,-2.0 258,-0.1 4,-0.4 -0.981 83.6-107.3-143.7 150.7 40.3 40.1 26.3 84 1085 A S G > S+ 0 0 28 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.791 111.3 63.4 -46.7 -43.3 38.9 37.3 28.5 85 1086 A W G 3 S+ 0 0 148 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.724 94.2 63.8 -59.9 -21.9 41.0 38.0 31.6 86 1087 A Q G <> S+ 0 0 11 -3,-2.0 4,-2.3 1,-0.2 5,-0.3 0.696 82.3 79.1 -77.3 -17.6 39.3 41.4 31.9 87 1088 A A H <> S+ 0 0 3 -3,-1.5 4,-2.6 -4,-0.4 -1,-0.2 0.923 92.0 48.4 -56.8 -50.3 35.9 40.0 32.6 88 1089 A E H > S+ 0 0 156 -4,-0.4 4,-0.8 -3,-0.3 -1,-0.2 0.969 115.2 40.9 -58.6 -59.3 36.4 39.1 36.2 89 1090 A P H >4 S+ 0 0 32 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.910 117.9 48.7 -58.1 -40.4 38.0 42.4 37.4 90 1091 A V H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-1.9 0.883 101.1 63.8 -66.0 -37.7 35.5 44.5 35.4 91 1092 A A H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.1 0.717 86.9 74.6 -60.3 -19.1 32.5 42.5 36.7 92 1093 A E T << S+ 0 0 137 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.829 118.5 11.8 -63.3 -30.2 33.4 43.8 40.1 93 1094 A V T <4 S+ 0 0 2 -3,-1.9 2,-0.4 -4,-0.4 -16,-0.3 0.679 108.3 90.8-118.2 -29.3 32.0 47.2 39.1 94 1095 A A < - 0 0 0 -4,-2.9 -16,-0.2 1,-0.2 3,-0.1 -0.587 44.2-172.2 -81.4 125.7 30.1 46.7 35.8 95 1096 A D S S+ 0 0 36 -18,-2.3 24,-1.9 -2,-0.4 2,-0.4 0.769 86.9 32.2 -79.1 -31.2 26.4 45.9 35.9 96 1097 A I E S-de 78 119A 3 -19,-1.9 -17,-1.0 22,-0.2 2,-0.6 -0.994 78.5-147.8-129.6 124.1 26.5 45.3 32.2 97 1098 A I E -de 79 120A 0 22,-3.3 24,-2.5 -2,-0.4 2,-0.4 -0.836 17.7-145.7 -94.7 123.9 29.6 44.0 30.4 98 1099 A Q E -de 80 121A 4 -19,-2.5 -17,-2.0 -2,-0.6 24,-0.2 -0.738 4.3-152.8 -93.6 136.3 29.9 45.3 26.9 99 1100 A I E - e 0 122A 0 22,-2.6 24,-2.6 -2,-0.4 5,-0.1 -0.930 26.2-118.0-108.6 119.5 31.4 43.3 24.1 100 1101 A P > - 0 0 12 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.162 19.5-118.1 -55.9 148.3 33.1 45.4 21.3 101 1102 A A G > S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 24,-0.2 0.879 114.2 50.1 -54.1 -45.9 31.6 45.2 17.7 102 1103 A F G 3 S+ 0 0 10 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.729 114.2 47.5 -67.9 -19.5 34.8 43.7 16.2 103 1104 A L G X S+ 0 0 3 -3,-1.0 3,-1.8 1,-0.2 -1,-0.2 0.266 73.4 111.4-105.5 10.8 34.9 41.1 18.9 104 1105 A C T < S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.604 82.6 46.7 -62.9 -11.3 31.2 40.0 18.8 105 1106 A R T 3 S+ 0 0 36 -3,-0.3 2,-1.3 -4,-0.1 -1,-0.3 0.441 78.8 113.6-107.0 -4.1 32.3 36.6 17.4 106 1107 A Q X> - 0 0 16 -3,-1.8 4,-1.9 1,-0.2 3,-0.7 -0.565 51.9-162.6 -75.7 97.2 35.1 35.9 19.9 107 1108 A T H 3> S+ 0 0 2 197,-1.8 4,-2.7 -2,-1.3 5,-0.2 0.844 83.0 50.6 -46.2 -50.9 33.7 32.9 21.8 108 1109 A D H 3> S+ 0 0 60 196,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.838 109.0 51.7 -63.1 -34.1 36.0 33.1 24.8 109 1110 A L H <> S+ 0 0 4 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.913 112.3 46.0 -69.1 -41.5 35.3 36.8 25.4 110 1111 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.920 114.6 48.1 -65.2 -44.3 31.6 36.2 25.3 111 1112 A L H X S+ 0 0 32 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.890 109.1 53.4 -63.5 -41.0 32.0 33.2 27.6 112 1113 A A H < S+ 0 0 13 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.904 112.6 44.6 -61.8 -40.7 34.2 35.1 30.0 113 1114 A A H ><>S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 5,-0.6 0.931 111.3 53.6 -69.0 -45.2 31.5 37.8 30.3 114 1115 A A H ><5S+ 0 0 2 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.855 101.9 56.4 -60.2 -39.5 28.7 35.4 30.6 115 1116 A K T 3<5S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.577 90.6 74.6 -73.2 -7.1 30.1 33.4 33.6 116 1117 A T T < 5S- 0 0 43 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.711 102.7-125.4 -75.4 -20.3 30.4 36.6 35.7 117 1118 A G T < 5S+ 0 0 48 -3,-1.2 2,-0.1 -4,-0.3 -3,-0.1 0.419 70.1 125.0 89.2 -1.0 26.7 36.6 36.3 118 1119 A R S - 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