==== 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 17-MAY-03 1PCW . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR X.XU,J.WANG,C.GRISON,S.PETEK,P.COUTROT,M.BIRCK,R.W.WOODARD,D . 511 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 71.8 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 190 0, 0.0 2,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 138.3 9.0 48.0 30.2 2 1003 A K - 0 0 105 1,-0.1 33,-0.2 33,-0.1 2,-0.1 -0.325 360.0-122.3 -57.4 122.2 11.4 50.7 31.6 3 1004 A F E -a 35 0A 2 31,-0.9 33,-3.0 -2,-0.1 2,-0.4 -0.422 23.5-133.0 -68.7 137.4 13.3 52.3 28.7 4 1005 A L E -ab 36 212A 5 207,-2.1 209,-2.3 31,-0.2 2,-0.5 -0.777 19.0-172.3 -98.5 132.9 17.1 52.1 29.0 5 1006 A V E -ab 37 213A 0 31,-2.6 33,-2.2 -2,-0.4 2,-0.6 -0.954 3.4-171.2-123.2 110.2 19.4 55.0 28.4 6 1007 A I E +ab 38 214A 0 207,-2.9 209,-2.9 -2,-0.5 2,-0.3 -0.906 24.7 152.7-101.5 118.4 23.1 54.1 28.4 7 1008 A A E +ab 39 215A 2 31,-2.1 33,-1.8 -2,-0.6 209,-0.2 -0.997 2.7 107.2-150.4 153.3 25.2 57.3 28.4 8 1009 A G E - b 0 216A 1 207,-1.2 209,-1.8 -2,-0.3 33,-0.1 -0.899 67.5 -45.8 160.5 173.8 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 -0.421 50.7-123.6 -68.6 140.9 31.9 59.9 27.9 10 1011 A C S S+ 0 0 0 216,-0.2 32,-2.2 31,-0.2 2,-0.3 0.923 92.2 22.4 -47.6 -55.4 33.4 57.6 25.3 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.0 215,-0.2 3,-0.2 -0.845 83.8-111.4-119.0 153.7 36.7 57.2 27.2 12 1013 A I + 0 0 3 30,-2.2 45,-0.3 -2,-0.3 3,-0.1 -0.581 44.1 167.2 -81.6 79.6 37.6 57.6 30.9 13 1014 A E - 0 0 31 -2,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.830 69.2 -24.0 -63.9 -31.8 39.8 60.7 30.2 14 1015 A S > - 0 0 34 -3,-0.2 4,-1.9 1,-0.1 -1,-0.3 -0.944 58.6-110.0-174.1 156.6 39.8 61.3 34.0 15 1016 A E H > S+ 0 0 43 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.829 119.4 59.4 -64.9 -29.4 37.8 60.5 37.1 16 1017 A E H > S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 103.3 49.1 -63.6 -47.5 37.0 64.2 37.1 17 1018 A L H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 110.8 52.0 -58.2 -44.5 35.3 64.0 33.7 18 1019 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.908 108.8 48.6 -59.6 -45.0 33.4 61.0 34.8 19 1020 A L H X S+ 0 0 36 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.855 109.6 53.4 -66.1 -33.7 32.0 62.7 38.0 20 1021 A K H X S+ 0 0 112 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.931 115.2 39.5 -66.6 -45.1 31.0 65.8 36.0 21 1022 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.2 0.919 113.5 55.3 -70.2 -42.9 29.0 63.7 33.5 22 1023 A G H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.850 102.4 57.8 -58.4 -35.1 27.7 61.4 36.2 23 1024 A E H X S+ 0 0 127 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.929 110.1 43.0 -61.9 -44.5 26.3 64.4 38.0 24 1025 A E H X S+ 0 0 34 -4,-1.2 4,-2.4 -3,-0.2 -2,-0.2 0.889 113.3 51.3 -69.3 -40.1 24.2 65.4 35.0 25 1026 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.906 109.6 51.1 -64.6 -38.3 23.1 61.8 34.4 26 1027 A K H X S+ 0 0 64 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.929 108.8 51.1 -63.4 -44.7 22.0 61.5 38.0 27 1028 A R H X S+ 0 0 111 -4,-2.0 4,-1.2 1,-0.2 3,-0.5 0.935 112.1 46.9 -57.6 -46.5 20.0 64.8 37.7 28 1029 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.849 106.2 58.0 -65.2 -34.3 18.3 63.4 34.6 29 1030 A S H < S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.805 105.4 51.6 -66.5 -27.0 17.6 60.1 36.3 30 1031 A E H < S+ 0 0 94 -4,-1.4 3,-0.3 -3,-0.5 -1,-0.2 0.794 115.8 40.8 -78.2 -29.1 15.7 62.0 38.9 31 1032 A K H < S+ 0 0 113 -4,-1.2 2,-1.5 1,-0.2 -2,-0.2 0.944 115.9 47.3 -81.7 -54.0 13.6 63.8 36.3 32 1033 A F >< + 0 0 5 -4,-3.3 3,-1.8 1,-0.2 -1,-0.2 -0.568 66.2 164.5 -90.0 73.6 13.0 60.9 33.9 33 1034 A K T 3 + 0 0 135 -2,-1.5 -1,-0.2 -3,-0.3 -4,-0.1 0.609 69.5 64.8 -67.1 -12.0 11.9 58.3 36.5 34 1035 A E T 3 S+ 0 0 95 -3,-0.1 -31,-0.9 -32,-0.0 2,-0.4 0.474 93.4 79.6 -88.2 -2.2 10.5 56.1 33.8 35 1036 A V E < S-a 3 0A 3 -3,-1.8 2,-0.7 -6,-0.2 -31,-0.2 -0.837 72.6-141.6-108.2 143.6 13.9 55.6 32.4 36 1037 A E E -a 4 0A 47 -33,-3.0 -31,-2.6 -2,-0.4 2,-0.3 -0.915 24.6-155.6-102.0 112.5 16.7 53.2 33.7 37 1038 A F E -a 5 0A 14 -2,-0.7 39,-0.8 -33,-0.2 2,-0.4 -0.713 11.9-172.0 -92.5 141.9 20.0 55.1 33.3 38 1039 A V E -ac 6 76A 0 -33,-2.2 -31,-2.1 -2,-0.3 2,-0.4 -0.992 20.2-135.0-132.6 122.0 23.3 53.2 33.0 39 1040 A F E -ac 7 77A 0 37,-2.9 39,-2.2 -2,-0.4 2,-0.4 -0.665 26.4-166.5 -81.2 127.1 26.5 55.2 33.1 40 1041 A K E + c 0 78A 2 -33,-1.8 2,-0.2 -2,-0.4 39,-0.2 -0.908 22.2 142.5-121.2 143.5 29.0 54.2 30.4 41 1042 A S - 0 0 0 37,-1.2 2,-0.4 -2,-0.4 -30,-0.2 -0.831 39.7-122.4-172.2 136.3 32.7 54.9 29.8 42 1043 A S B -i 11 0B 0 -32,-2.2 -30,-2.2 -33,-0.3 3,-0.1 -0.699 4.2-158.3 -88.6 131.2 35.6 52.7 28.5 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.7 37,-0.3 14,-0.3 0.671 86.5 23.3 -78.1 -14.9 38.7 52.2 30.5 44 1045 A D - 0 0 19 36,-0.2 2,-1.2 12,-0.1 -1,-0.2 -0.968 58.2-151.2-154.4 133.8 40.5 51.4 27.3 45 1046 A K > + 0 0 19 10,-1.6 3,-0.8 -2,-0.3 11,-0.1 -0.812 30.4 172.8-100.3 87.1 40.0 52.2 23.6 46 1047 A A T 3 + 0 0 4 -2,-1.2 319,-1.6 1,-0.2 320,-0.4 0.436 67.5 48.2 -78.9 -0.5 41.7 48.9 22.5 47 1048 A N T 3 + 0 0 44 317,-0.2 -1,-0.2 318,-0.1 317,-0.1 0.037 69.1 151.7-130.9 28.3 40.9 49.3 18.8 48 1049 A R < - 0 0 46 -3,-0.8 317,-0.1 1,-0.1 7,-0.0 -0.209 49.9-127.4 -56.9 152.5 41.9 52.9 17.8 49 1050 A S S S+ 0 0 35 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.919 92.0 51.5 -68.6 -41.4 43.0 53.2 14.2 50 1051 A S S > S- 0 0 23 1,-0.1 3,-1.5 4,-0.1 -2,-0.1 -0.781 71.4-141.7-104.4 141.9 46.3 54.9 15.1 51 1052 A I T 3 S+ 0 0 28 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.700 105.5 59.7 -66.9 -18.6 48.9 53.7 17.5 52 1053 A H T 3 S+ 0 0 139 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.488 84.5 101.8 -89.7 -4.5 49.2 57.4 18.4 53 1054 A S S < S- 0 0 41 -3,-1.5 -5,-0.1 1,-0.1 173,-0.1 -0.473 84.5 -88.5 -83.3 154.1 45.6 57.9 19.6 54 1055 A F + 0 0 46 171,-0.5 -1,-0.1 -2,-0.1 -4,-0.1 -0.300 43.5 171.0 -60.1 136.9 44.5 58.0 23.2 55 1056 A R - 0 0 58 1,-0.3 -10,-1.6 -11,-0.1 2,-0.3 0.723 44.1 -98.3-114.6 -46.6 43.7 54.7 24.8 56 1057 A G - 0 0 25 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.933 30.8 -77.8 151.0-173.5 43.2 55.2 28.5 57 1058 A H S S- 0 0 103 -14,-0.3 4,-0.4 1,-0.3 -13,-0.1 0.147 81.4 -85.0-109.7 18.7 44.8 55.1 31.9 58 1059 A G > - 0 0 37 -15,-0.7 4,-2.3 2,-0.1 -1,-0.3 0.010 40.6 -81.2 98.2 155.8 44.5 51.3 32.5 59 1060 A L H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.909 123.8 53.6 -59.7 -46.9 41.9 48.9 33.8 60 1061 A E H > S+ 0 0 168 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 111.8 43.4 -55.2 -53.7 42.7 49.6 37.4 61 1062 A Y H > S+ 0 0 82 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.923 115.7 50.5 -58.2 -45.9 42.3 53.4 37.2 62 1063 A G H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.913 110.5 45.9 -60.2 -48.7 39.1 53.0 35.1 63 1064 A V H X S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.893 113.1 52.0 -63.0 -39.1 37.3 50.5 37.4 64 1065 A K H X S+ 0 0 125 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.913 111.2 46.8 -63.3 -42.9 38.2 52.7 40.3 65 1066 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.900 113.1 48.6 -66.7 -41.4 36.8 55.8 38.6 66 1067 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 108.4 53.8 -65.7 -39.9 33.6 53.9 37.6 67 1068 A R H X S+ 0 0 95 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.873 106.1 54.2 -62.1 -34.9 33.2 52.6 41.2 68 1069 A K H X S+ 0 0 75 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.899 107.2 50.2 -65.1 -41.2 33.4 56.3 42.3 69 1070 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 6,-0.5 0.947 113.7 44.7 -61.5 -49.2 30.6 57.2 39.9 70 1071 A K H X S+ 0 0 57 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.883 115.8 47.8 -62.4 -40.0 28.4 54.4 41.2 71 1072 A E H < S+ 0 0 143 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.895 117.4 40.3 -68.7 -42.7 29.3 55.2 44.9 72 1073 A E H < S+ 0 0 94 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.780 132.4 20.9 -80.1 -28.4 28.7 58.9 44.6 73 1074 A F H < S- 0 0 24 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.516 91.8-125.0-119.9 -7.9 25.5 58.8 42.4 74 1075 A G < + 0 0 60 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 0.838 57.7 153.1 65.9 31.8 24.1 55.4 42.8 75 1076 A L - 0 0 8 -6,-0.5 -1,-0.2 -5,-0.1 -37,-0.1 -0.733 48.7-113.5 -97.6 144.0 24.1 54.9 39.1 76 1077 A K E -c 38 0A 89 -39,-0.8 -37,-2.9 -2,-0.3 2,-0.3 -0.364 37.3-139.5 -68.1 155.9 24.4 51.5 37.3 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.7 -39,-0.2 19,-1.8 -0.928 23.1 177.1-126.7 145.7 27.6 51.0 35.4 78 1079 A T E +cd 40 96A 0 -39,-2.2 -37,-1.2 -2,-0.3 2,-0.3 -0.995 9.0 158.0-143.8 142.8 28.7 49.5 32.1 79 1080 A T E - d 0 97A 0 17,-1.1 19,-2.6 -2,-0.3 2,-0.3 -0.963 35.6-106.1-155.8 161.6 32.0 49.3 30.3 80 1081 A D E - d 0 98A 12 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.670 20.5-149.1 -99.9 150.8 33.6 47.1 27.6 81 1082 A I - 0 0 0 17,-1.9 3,-0.1 -2,-0.3 32,-0.0 -0.837 8.5-171.1-113.0 156.3 36.1 44.3 27.9 82 1083 A H S S+ 0 0 19 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.613 70.8 28.8-121.0 -22.1 38.7 43.4 25.2 83 1084 A E S > S- 0 0 25 26,-0.1 3,-2.0 258,-0.1 4,-0.4 -0.977 83.9-108.7-140.6 150.1 40.2 40.1 26.4 84 1085 A S G > S+ 0 0 26 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.791 110.6 63.8 -48.2 -41.6 38.8 37.3 28.6 85 1086 A W G 3 S+ 0 0 148 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.714 94.1 64.1 -60.9 -20.0 40.8 38.0 31.7 86 1087 A Q G <> S+ 0 0 11 -3,-2.0 4,-2.2 1,-0.2 5,-0.3 0.710 82.6 78.2 -78.6 -18.0 39.2 41.4 32.1 87 1088 A A H <> S+ 0 0 3 -3,-1.5 4,-2.4 -4,-0.4 -1,-0.2 0.914 91.9 49.5 -56.8 -48.5 35.7 40.0 32.7 88 1089 A E H > S+ 0 0 157 -4,-0.4 4,-0.6 -3,-0.3 -1,-0.2 0.965 115.3 39.6 -59.6 -58.1 36.3 39.1 36.3 89 1090 A P H >4 S+ 0 0 33 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.892 117.2 50.4 -62.1 -37.0 37.8 42.4 37.6 90 1091 A V H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-2.0 0.884 100.8 63.6 -66.9 -37.0 35.4 44.5 35.5 91 1092 A A H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.675 85.7 75.8 -61.6 -16.6 32.4 42.5 36.8 92 1093 A E T << S+ 0 0 135 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.771 118.9 9.6 -66.8 -23.1 33.2 43.9 40.3 93 1094 A V T <4 S+ 0 0 2 -3,-2.0 2,-0.3 -4,-0.3 -16,-0.3 0.660 107.4 91.5-124.6 -34.7 31.7 47.2 39.3 94 1095 A A < - 0 0 0 -4,-2.8 -16,-0.2 1,-0.2 3,-0.1 -0.522 45.1-170.3 -75.2 127.5 30.0 46.8 35.9 95 1096 A D S S+ 0 0 35 -18,-2.7 24,-1.8 -2,-0.3 2,-0.4 0.770 86.5 32.1 -81.1 -30.7 26.3 46.0 36.0 96 1097 A I E S-de 78 119A 3 -19,-1.8 -17,-1.1 22,-0.2 2,-0.6 -0.996 77.7-148.4-129.7 124.8 26.4 45.4 32.3 97 1098 A I E -de 79 120A 0 22,-2.9 24,-2.6 -2,-0.4 2,-0.4 -0.842 18.1-145.6 -95.4 124.6 29.5 44.1 30.5 98 1099 A Q E -de 80 121A 6 -19,-2.6 -17,-1.9 -2,-0.6 24,-0.2 -0.746 4.3-152.3 -95.4 135.1 29.8 45.4 27.0 99 1100 A I E - e 0 122A 0 22,-2.8 24,-2.5 -2,-0.4 5,-0.1 -0.921 26.1-120.0-105.5 119.2 31.3 43.4 24.1 100 1101 A P > - 0 0 10 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.178 20.6-115.9 -57.2 149.6 32.9 45.5 21.3 101 1102 A A G > S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 24,-0.2 0.868 114.5 50.9 -54.0 -45.8 31.5 45.3 17.8 102 1103 A F G 3 S+ 0 0 10 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.753 113.3 48.3 -66.4 -21.5 34.7 43.8 16.2 103 1104 A L G X S+ 0 0 3 -3,-1.0 3,-1.6 1,-0.2 -1,-0.2 0.233 72.6 111.7-104.0 14.0 34.7 41.1 19.0 104 1105 A C T < S+ 0 0 1 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.596 82.5 46.6 -65.3 -10.9 31.1 40.0 18.8 105 1106 A R T 3 S+ 0 0 49 -3,-0.3 2,-1.3 -4,-0.1 -1,-0.3 0.395 78.1 113.5-109.1 -0.7 32.2 36.6 17.5 106 1107 A Q X> - 0 0 16 -3,-1.6 4,-2.0 1,-0.2 3,-0.8 -0.604 51.7-162.8 -77.8 97.3 35.0 35.9 19.9 107 1108 A T H 3> S+ 0 0 3 197,-1.7 4,-2.6 -2,-1.3 5,-0.2 0.845 83.0 50.7 -46.9 -50.0 33.5 32.9 21.8 108 1109 A D H 3> S+ 0 0 64 196,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.823 109.2 51.1 -64.1 -32.5 35.9 33.1 24.9 109 1110 A L H <> S+ 0 0 2 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.932 112.2 46.5 -70.4 -44.7 35.2 36.8 25.5 110 1111 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.917 114.7 47.8 -61.2 -44.2 31.4 36.2 25.4 111 1112 A L H X S+ 0 0 31 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.894 108.9 53.8 -64.3 -40.6 31.8 33.2 27.7 112 1113 A A H < S+ 0 0 12 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.915 112.4 44.5 -60.7 -42.2 34.0 35.2 30.1 113 1114 A A H ><>S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 5,-0.5 0.940 111.0 54.0 -67.4 -46.7 31.4 37.9 30.3 114 1115 A A H ><5S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.824 101.3 56.9 -59.4 -37.8 28.5 35.5 30.7 115 1116 A K T 3<5S+ 0 0 161 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.576 89.8 75.5 -74.5 -7.0 29.9 33.5 33.7 116 1117 A T T < 5S- 0 0 42 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.697 102.2-125.4 -75.5 -19.0 30.2 36.7 35.8 117 1118 A G T < 5S+ 0 0 52 -3,-1.2 2,-0.2 1,-0.3 -3,-0.1 0.433 71.1 123.8 87.4 -1.2 26.5 36.7 36.4 118 1119 A R S - 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