==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-AUG-12 4B5U . COMPND 2 MOLECULE: 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI ATCC 8739; . AUTHOR M.COINCON,W.WANG,S.Y.K.SEAH,J.SYGUSCH . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 3 3 0 2 4 5 1 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 8 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A M 0 0 75 0, 0.0 2,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 17.4 -28.1 9.8 -12.3 2 2 A E - 0 0 128 1,-0.1 2,-1.0 2,-0.0 3,-0.1 -0.394 360.0-126.9 -58.8 137.6 -29.7 11.2 -9.2 3 3 A N > - 0 0 2 1,-0.2 4,-1.9 137,-0.1 5,-0.1 -0.770 28.0-178.1 -91.1 101.0 -28.8 9.1 -6.2 4 4 A S H > S+ 0 0 51 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.821 80.3 56.3 -73.2 -29.6 -32.2 8.3 -4.6 5 5 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 109.4 47.1 -62.8 -47.7 -30.6 6.4 -1.7 6 6 A K H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.893 111.4 50.5 -60.0 -43.6 -28.6 9.4 -0.8 7 7 A A H X S+ 0 0 28 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.902 109.3 52.3 -64.0 -39.2 -31.6 11.7 -1.1 8 8 A A H <>S+ 0 0 1 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.922 109.5 48.1 -62.9 -45.5 -33.6 9.4 1.2 9 9 A L H ><5S+ 0 0 11 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.927 111.0 51.0 -58.2 -46.7 -30.9 9.4 3.9 10 10 A K H 3<5S+ 0 0 194 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 110.3 49.7 -62.4 -33.1 -30.7 13.2 3.7 11 11 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.397 116.2-114.7 -84.7 0.2 -34.5 13.4 4.1 12 12 A G T < 5 + 0 0 25 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.753 63.6 148.9 71.6 24.1 -34.5 11.1 7.1 13 13 A R < - 0 0 134 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.826 48.8-123.6 -91.2 116.5 -36.4 8.3 5.5 14 14 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 215,-0.2 -0.325 22.1-151.1 -63.0 136.2 -35.3 4.9 6.9 15 15 A Q E -a 229 0A 19 213,-2.9 215,-2.3 22,-0.0 2,-0.5 -0.949 1.7-150.0-115.6 122.0 -34.0 2.4 4.2 16 16 A I E -a 230 0A 11 -2,-0.5 21,-2.0 213,-0.2 22,-1.6 -0.782 24.0-170.1 -93.9 128.5 -34.4 -1.3 4.8 17 17 A G E -ab 231 38A 0 213,-2.9 215,-2.6 -2,-0.5 216,-0.4 -0.750 23.4-148.6-122.1 164.1 -31.7 -3.4 3.2 18 18 A L E - b 0 39A 0 20,-1.7 22,-2.2 -2,-0.3 2,-0.4 -0.993 25.0-127.6-125.4 140.3 -30.6 -7.0 2.4 19 19 A W E -ab 234 40A 12 214,-2.6 216,-2.7 -2,-0.4 2,-0.7 -0.701 17.0-150.2 -86.2 134.0 -26.9 -8.1 2.2 20 20 A L E + b 0 41A 2 20,-3.2 22,-1.9 -2,-0.4 26,-0.1 -0.901 37.0 145.2-109.8 108.4 -25.9 -9.9 -1.0 21 21 A G + 0 0 8 -2,-0.7 -1,-0.1 20,-0.1 20,-0.1 0.352 50.6 91.8-116.2 1.5 -23.1 -12.4 -0.6 22 22 A L S S- 0 0 3 2,-0.1 257,-0.2 24,-0.1 256,-0.1 0.651 79.2-146.4 -73.1 -13.2 -24.2 -15.0 -3.2 23 23 A S + 0 0 25 1,-0.2 2,-0.4 255,-0.1 -1,-0.1 0.836 53.6 124.2 57.5 38.6 -22.0 -13.2 -5.8 24 24 A S > - 0 0 23 1,-0.1 4,-1.6 252,-0.0 -1,-0.2 -0.997 59.4-149.9-134.1 133.4 -24.4 -13.9 -8.6 25 25 A S H > S+ 0 0 52 -2,-0.4 4,-1.4 2,-0.2 5,-0.1 0.745 101.0 57.3 -69.2 -22.8 -26.1 -11.6 -11.1 26 26 A Y H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.971 109.7 38.3 -75.5 -55.0 -28.9 -14.1 -11.2 27 27 A S H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.818 111.4 63.1 -65.0 -28.5 -29.9 -14.3 -7.5 28 28 A A H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.920 105.1 45.1 -60.9 -42.4 -29.2 -10.5 -7.4 29 29 A E H X S+ 0 0 86 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.938 111.0 53.0 -64.9 -46.6 -32.1 -10.0 -9.8 30 30 A L H >< S+ 0 0 44 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.923 115.0 41.6 -53.0 -43.7 -34.3 -12.4 -7.9 31 31 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 5,-0.4 0.771 101.4 69.2 -78.0 -26.1 -33.7 -10.5 -4.7 32 32 A A H 3< S+ 0 0 1 -4,-1.9 33,-0.6 1,-0.3 3,-0.4 0.715 99.8 51.8 -64.1 -20.9 -33.9 -7.0 -6.4 33 33 A G T << S+ 0 0 45 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.311 84.8 89.9 -95.7 7.3 -37.7 -7.7 -6.8 34 34 A A S < S- 0 0 8 -3,-1.9 465,-0.2 1,-0.0 -1,-0.2 0.488 103.7-102.7 -87.7 -5.6 -38.3 -8.7 -3.1 35 35 A G + 0 0 53 -3,-0.4 2,-0.1 1,-0.3 -3,-0.1 0.541 66.6 146.7 102.1 10.1 -39.1 -5.1 -1.9 36 36 A F - 0 0 5 -5,-0.4 -1,-0.3 1,-0.1 -19,-0.2 -0.456 48.1-138.6 -76.1 151.9 -36.0 -3.9 -0.2 37 37 A D S S+ 0 0 58 -21,-2.0 29,-2.6 1,-0.2 2,-0.3 0.837 85.9 10.5 -73.4 -36.1 -35.0 -0.2 -0.2 38 38 A W E -bc 17 66A 1 -22,-1.6 -20,-1.7 27,-0.3 2,-0.4 -0.978 60.0-152.6-144.7 159.1 -31.3 -1.2 -0.7 39 39 A L E -bc 18 67A 0 27,-2.2 29,-2.6 -2,-0.3 2,-0.7 -0.997 15.4-141.7-133.3 132.7 -29.1 -4.1 -1.5 40 40 A L E -bc 19 68A 0 -22,-2.2 -20,-3.2 -2,-0.4 2,-0.8 -0.875 5.6-157.6-103.1 112.8 -25.4 -4.4 -0.4 41 41 A I E -bc 20 69A 0 27,-3.1 29,-2.4 -2,-0.7 2,-0.9 -0.814 21.6-144.8 -88.8 110.6 -23.0 -6.0 -2.9 42 42 A D E > + c 0 70A 6 -22,-1.9 4,-0.6 -2,-0.8 6,-0.4 -0.672 34.0 165.5 -93.5 106.2 -20.3 -7.2 -0.7 43 43 A G T 4 S+ 0 0 16 27,-2.1 29,-0.3 -2,-0.9 -1,-0.2 0.449 76.7 56.5 -92.1 -2.1 -16.8 -7.0 -2.2 44 44 A E T 4 S+ 0 0 43 27,-0.2 -1,-0.1 26,-0.2 28,-0.1 0.852 121.1 16.5 -93.5 -43.5 -15.1 -7.5 1.3 45 45 A H T 4 S+ 0 0 126 2,-0.0 -2,-0.1 0, 0.0 -24,-0.1 0.328 116.8 63.7-121.5 6.9 -16.6 -10.8 2.5 46 46 A A S < S- 0 0 12 -4,-0.6 2,-2.7 -26,-0.1 -24,-0.1 -0.927 95.9 -98.3-126.0 154.5 -18.0 -12.4 -0.5 47 47 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.310 75.1 132.4 -75.4 65.6 -16.1 -13.6 -3.7 48 48 A N + 0 0 22 -2,-2.7 2,-0.3 -6,-0.4 -2,-0.1 -0.740 29.8 179.3-107.2 158.7 -16.9 -10.5 -5.8 49 49 A N > - 0 0 82 -2,-0.3 4,-2.6 22,-0.0 5,-0.2 -0.826 52.1 -78.6-142.3-174.5 -14.7 -8.3 -7.9 50 50 A V H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.904 128.7 51.4 -57.7 -39.2 -15.2 -5.2 -10.1 51 51 A Q H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 111.2 43.6 -67.6 -40.5 -16.6 -7.4 -12.9 52 52 A T H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.815 111.0 56.6 -74.7 -29.8 -19.1 -9.3 -10.8 53 53 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.944 105.9 53.0 -59.3 -47.7 -20.2 -6.0 -9.1 54 54 A L H X S+ 0 0 46 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.930 109.1 46.5 -52.3 -49.2 -20.8 -4.7 -12.7 55 55 A T H X S+ 0 0 51 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.852 112.1 50.6 -69.3 -31.7 -23.1 -7.6 -13.6 56 56 A Q H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.897 108.8 52.1 -70.5 -38.4 -25.0 -7.3 -10.3 57 57 A L H X S+ 0 0 7 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.906 110.2 49.5 -60.4 -41.5 -25.5 -3.6 -10.9 58 58 A Q H < S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.900 111.4 48.6 -65.0 -38.6 -26.9 -4.4 -14.3 59 59 A A H < S+ 0 0 16 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 115.9 42.8 -66.7 -40.6 -29.2 -7.0 -12.9 60 60 A I H >< S+ 0 0 2 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.754 90.3 93.2 -75.9 -27.0 -30.5 -4.7 -10.2 61 61 A A T 3< S+ 0 0 61 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.744 82.1 47.7 -46.1 -45.6 -30.9 -1.6 -12.4 62 62 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.622 100.0 84.3 -78.3 -5.0 -34.5 -1.8 -13.5 63 63 A Y S < S- 0 0 66 -3,-2.3 -30,-0.1 2,-0.2 -31,-0.0 -0.492 84.3-121.5 -93.1 162.2 -35.8 -2.5 -10.0 64 64 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.781 82.8 102.2 -74.6 -24.6 -36.6 0.1 -7.3 65 65 A S S S- 0 0 2 -33,-0.6 -27,-0.3 -5,-0.1 -28,-0.2 -0.360 71.3-133.7 -59.9 133.0 -34.1 -1.3 -4.8 66 66 A Q E -c 38 0A 50 -29,-2.6 -27,-2.2 -2,-0.1 2,-0.3 -0.757 13.7-127.5 -97.5 132.6 -30.9 0.8 -4.7 67 67 A P E -c 39 0A 35 0, 0.0 2,-0.4 0, 0.0 21,-0.3 -0.535 21.8-175.9 -80.9 140.8 -27.4 -0.8 -4.9 68 68 A V E -c 40 0A 0 -29,-2.6 -27,-3.1 -2,-0.3 2,-0.5 -0.982 13.3-150.9-126.4 140.6 -24.7 -0.1 -2.4 69 69 A V E -cd 41 90A 1 20,-2.5 22,-2.5 -2,-0.4 -27,-0.2 -0.951 5.7-155.7-120.9 132.8 -21.2 -1.6 -2.8 70 70 A R E -c 42 0A 17 -29,-2.4 -27,-2.1 -2,-0.5 -26,-0.2 -0.905 15.1-150.0-102.1 113.2 -18.7 -2.5 -0.2 71 71 A P - 0 0 0 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.355 27.0-112.5 -72.2 166.5 -15.1 -2.5 -1.5 72 72 A S S S- 0 0 52 -29,-0.3 2,-0.3 1,-0.1 -28,-0.1 0.718 93.9 -4.2 -71.5 -21.8 -12.6 -4.9 0.2 73 73 A W S S- 0 0 135 2,-0.1 2,-2.2 0, 0.0 -1,-0.1 -0.958 86.1 -84.7-158.6 162.6 -10.7 -2.0 1.7 74 74 A N S S+ 0 0 25 19,-0.3 18,-0.0 -2,-0.3 29,-0.0 -0.554 72.6 151.4 -74.0 74.2 -10.5 1.9 1.8 75 75 A D > - 0 0 54 -2,-2.2 4,-2.7 1,-0.1 5,-0.2 -0.950 42.7-153.6-119.0 114.8 -8.4 1.7 -1.4 76 76 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.817 95.1 52.3 -61.0 -32.1 -8.6 4.7 -3.8 77 77 A V H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.954 112.4 43.8 -70.0 -48.4 -7.7 2.6 -6.9 78 78 A Q H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 113.5 52.5 -60.7 -41.8 -10.4 -0.0 -6.2 79 79 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.934 106.2 53.5 -61.1 -45.2 -12.9 2.7 -5.4 80 80 A K H X S+ 0 0 80 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.935 110.8 47.5 -51.5 -47.4 -12.0 4.4 -8.8 81 81 A Q H X S+ 0 0 96 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.901 111.8 48.7 -67.3 -40.6 -12.8 1.2 -10.6 82 82 A L H <>S+ 0 0 3 -4,-2.4 5,-2.4 1,-0.2 4,-0.4 0.881 111.0 50.7 -64.8 -39.9 -16.1 0.6 -8.8 83 83 A L H ><5S+ 0 0 1 -4,-2.6 3,-1.5 -5,-0.2 -2,-0.2 0.918 106.1 55.1 -66.2 -40.6 -17.3 4.1 -9.4 84 84 A D H 3<5S+ 0 0 31 -4,-2.1 41,-2.5 1,-0.3 40,-0.5 0.853 102.8 55.0 -65.9 -31.5 -16.5 3.9 -13.1 85 85 A V T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 39,-0.2 -2,-0.2 0.551 135.6 -86.6 -77.5 -4.9 -18.7 0.7 -13.5 86 86 A G T < 5S+ 0 0 15 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.477 74.0 151.3 122.4 6.0 -21.5 2.8 -12.0 87 87 A T < + 0 0 4 -5,-2.4 -1,-0.3 1,-0.2 3,-0.1 -0.493 6.9 165.3 -67.3 127.4 -21.3 2.5 -8.2 88 88 A Q + 0 0 50 -21,-0.3 55,-2.9 -2,-0.3 2,-0.5 0.533 64.1 53.9-116.4 -16.4 -22.7 5.7 -6.5 89 89 A T E - e 0 143A 5 -22,-0.3 -20,-2.5 53,-0.2 2,-0.4 -0.983 68.9-173.1-125.2 121.2 -23.1 4.5 -2.9 90 90 A L E -de 69 144A 2 53,-2.3 55,-2.8 -2,-0.5 2,-0.6 -0.928 18.2-158.2-119.5 135.1 -20.1 3.0 -1.2 91 91 A L E - e 0 145A 1 -22,-2.5 55,-0.2 -2,-0.4 53,-0.1 -0.929 20.8-158.5-111.9 106.3 -19.8 1.3 2.2 92 92 A V E - e 0 146A 0 53,-3.1 55,-2.7 -2,-0.6 3,-0.4 -0.743 8.2-139.5 -97.2 117.9 -16.1 1.5 3.2 93 93 A P S S+ 0 0 0 0, 0.0 -19,-0.3 0, 0.0 55,-0.1 -0.284 70.7 13.0 -75.0 157.7 -14.9 -1.0 5.8 94 94 A M + 0 0 37 1,-0.2 2,-0.7 -21,-0.1 54,-0.2 0.837 66.3 172.4 53.4 48.0 -12.5 -0.4 8.7 95 95 A V + 0 0 0 52,-2.2 54,-0.3 -3,-0.4 -1,-0.2 -0.817 2.8 176.2 -87.5 116.6 -12.5 3.4 8.7 96 96 A Q + 0 0 46 -2,-0.7 2,-0.3 1,-0.1 60,-0.2 0.617 52.4 1.8-102.3 -20.6 -10.5 4.2 11.9 97 97 A N S > S- 0 0 44 62,-0.1 4,-1.9 63,-0.1 5,-0.1 -0.937 79.9 -86.2-160.5 175.7 -10.2 7.9 12.1 98 98 A A H > S+ 0 0 12 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.837 119.8 57.7 -65.8 -36.9 -11.0 11.2 10.4 99 99 A D H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 109.2 45.6 -59.2 -43.5 -8.0 11.1 8.0 100 100 A E H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 111.1 52.6 -68.9 -38.0 -9.2 7.8 6.6 101 101 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 109.6 50.0 -61.0 -43.6 -12.8 9.0 6.3 102 102 A R H X S+ 0 0 104 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.908 108.6 51.5 -60.1 -43.6 -11.5 12.0 4.4 103 103 A E H X S+ 0 0 85 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.891 107.6 52.8 -64.6 -37.1 -9.5 9.8 2.1 104 104 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.941 112.6 45.4 -59.4 -48.4 -12.6 7.7 1.4 105 105 A V H >< S+ 0 0 6 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.947 111.5 51.1 -60.3 -48.8 -14.5 10.8 0.5 106 106 A R H >< S+ 0 0 93 -4,-2.9 9,-2.3 1,-0.3 3,-1.2 0.814 101.3 62.8 -62.8 -30.7 -11.7 12.2 -1.7 107 107 A A H 3< S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.712 103.9 49.5 -64.0 -21.8 -11.5 8.9 -3.6 108 108 A T T << S+ 0 0 2 -3,-1.7 2,-0.4 -4,-0.6 -1,-0.2 0.455 100.9 76.4 -98.4 -0.7 -15.0 9.4 -4.9 109 109 A R S < S- 0 0 31 -3,-1.2 7,-2.5 -4,-0.3 31,-0.0 -0.919 73.4-127.7-122.8 134.6 -14.7 13.0 -6.1 110 110 A Y >> - 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