==== 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 LIGASE 08-MAY-95 1DAD . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HUANG,J.JIA,G.SCHNEIDER,Y.LINDQVIST . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 0 2 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 1 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 . 2 1 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 . 2 0 0 0 0 1 0 0 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 S 0 0 84 0, 0.0 2,-0.4 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 134.0 13.0 40.9 26.2 2 2 A K E -a 111 0A 94 108,-2.1 110,-2.6 2,-0.0 2,-0.4 -0.750 360.0-176.0 -80.3 141.6 13.7 39.8 22.6 3 3 A R E -a 112 0A 46 -2,-0.4 2,-0.3 108,-0.2 110,-0.2 -0.998 9.6-178.4-142.0 138.7 10.5 38.5 21.1 4 4 A Y E -a 113 0A 15 108,-1.9 110,-3.4 -2,-0.4 2,-0.4 -0.999 18.5-142.3-139.4 142.5 9.9 36.9 17.7 5 5 A F E -ab 114 141A 5 135,-3.1 137,-2.9 -2,-0.3 2,-0.5 -0.884 17.0-150.2-101.3 135.2 6.7 35.6 16.0 6 6 A V E +ab 115 142A 0 108,-3.0 110,-2.0 -2,-0.4 2,-0.3 -0.928 21.2 169.1-110.9 122.8 7.2 32.5 13.8 7 7 A T E - b 0 143A 2 135,-2.4 137,-2.7 -2,-0.5 2,-0.3 -0.776 19.4-139.3-122.8 170.8 4.9 31.9 10.9 8 8 A G E - b 0 144A 1 110,-0.5 112,-0.5 -2,-0.3 137,-0.2 -0.867 20.4-124.2-130.3 161.1 5.0 29.4 7.9 9 9 A T S S- 0 0 15 135,-1.5 2,-0.3 -2,-0.3 136,-0.1 0.703 95.3 -5.6 -77.7 -21.4 4.3 29.5 4.2 10 10 A D S > S- 0 0 58 134,-0.3 3,-0.8 108,-0.1 -1,-0.2 -0.969 91.3 -76.0-161.0 162.0 1.7 26.7 4.5 11 11 A T T 3 S+ 0 0 82 -2,-0.3 -2,-0.0 1,-0.2 106,-0.0 -0.325 116.3 21.6 -59.7 148.4 0.3 24.3 7.1 12 12 A E T 3 S+ 0 0 176 1,-0.1 -1,-0.2 -4,-0.0 165,-0.0 0.820 78.0 128.5 59.3 38.8 2.8 21.4 7.8 13 13 A V S < S- 0 0 1 -3,-0.8 -1,-0.1 131,-0.1 134,-0.1 0.422 89.0 -93.9 -96.0 -0.8 6.0 23.2 6.5 14 14 A G S > S+ 0 0 17 132,-0.1 4,-2.5 3,-0.1 5,-0.2 0.775 70.8 153.8 93.6 30.2 7.8 22.3 9.8 15 15 A K H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.906 78.0 46.8 -59.0 -35.8 7.1 25.6 11.7 16 16 A T H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 110.3 52.3 -73.8 -35.8 7.4 23.7 15.0 17 17 A V H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.938 112.7 44.7 -63.0 -44.6 10.7 21.9 13.9 18 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.884 110.4 55.3 -66.5 -38.7 12.2 25.3 13.0 19 19 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.912 108.7 48.1 -60.7 -41.2 10.8 26.8 16.4 20 20 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.930 111.1 50.5 -65.8 -40.8 12.6 24.0 18.3 21 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.944 111.8 48.3 -62.3 -43.1 15.9 24.7 16.3 22 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 112.2 48.2 -63.6 -42.1 15.6 28.4 17.1 23 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 111.1 51.1 -65.1 -41.0 15.0 27.8 20.8 24 24 A Q H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 110.6 47.9 -61.1 -44.9 18.0 25.4 20.9 25 25 A A H X S+ 0 0 11 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.893 112.1 50.1 -63.7 -39.1 20.3 28.0 19.3 26 26 A A H X>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 4,-0.6 0.907 109.8 50.1 -68.7 -41.0 19.0 30.7 21.7 27 27 A K H ><5S+ 0 0 125 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.939 108.9 53.3 -60.1 -44.2 19.7 28.4 24.7 28 28 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.9 55.8 -66.1 -26.9 23.1 27.8 23.3 29 29 A A H 3<5S- 0 0 65 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.608 125.3-101.3 -81.4 -8.1 23.8 31.6 23.1 30 30 A G T <<5S+ 0 0 63 -3,-1.5 -3,-0.2 -4,-0.6 2,-0.2 0.540 72.9 143.2 105.2 3.9 23.0 31.9 26.9 31 31 A Y < - 0 0 70 -5,-2.1 2,-0.8 1,-0.0 -1,-0.3 -0.485 55.2-125.4 -74.3 148.8 19.4 33.2 26.8 32 32 A R - 0 0 126 -2,-0.2 78,-1.8 31,-0.1 79,-1.5 -0.894 46.7-156.4 -87.7 112.9 16.8 32.1 29.3 33 33 A T E -c 111 0A 0 -2,-0.8 31,-1.5 76,-0.2 2,-0.4 -0.632 26.5-178.4-108.6 154.0 14.1 31.0 26.7 34 34 A A E -c 112 0A 0 77,-1.7 79,-2.4 -2,-0.2 2,-0.4 -0.983 14.3-151.0-147.7 129.6 10.4 30.5 26.5 35 35 A G E -c 113 0A 0 -2,-0.4 2,-0.4 23,-0.3 79,-0.2 -0.816 15.8-164.9 -93.3 143.7 8.3 29.2 23.7 36 36 A Y E +c 114 0A 0 77,-2.4 79,-3.0 -2,-0.4 36,-0.2 -0.990 18.3 175.2-135.0 122.6 4.7 30.5 23.6 37 37 A K - 0 0 10 34,-2.8 37,-0.3 -2,-0.4 79,-0.1 -0.845 7.9-178.7-125.0 88.9 1.9 29.0 21.5 38 38 A P + 0 0 0 0, 0.0 36,-2.2 0, 0.0 2,-0.4 0.912 69.6 32.1 -63.1 -39.3 -1.1 31.0 22.5 39 39 A V E +g 74 0B 0 76,-0.4 2,-0.3 34,-0.1 36,-0.2 -0.944 67.4 167.5-125.1 133.5 -3.7 29.1 20.3 40 40 A A E -g 75 0B 0 34,-1.7 36,-2.3 -2,-0.4 2,-0.3 -0.993 10.6-175.1-143.7 133.9 -3.6 25.5 19.4 41 41 A S E +g 76 0B 29 -2,-0.3 36,-0.2 34,-0.2 37,-0.1 -0.951 60.0 59.4-123.7 153.4 -6.1 23.1 17.8 42 42 A G S S+ 0 0 23 34,-1.2 11,-0.5 -2,-0.3 2,-0.3 0.846 71.8 165.5 89.8 84.0 -5.5 19.4 17.3 43 43 A S - 0 0 13 34,-1.7 9,-0.2 9,-0.2 2,-0.2 -0.967 34.1-124.3-140.6 148.6 -5.0 17.9 20.8 44 44 A E B -H 51 0C 140 7,-2.6 7,-2.4 -2,-0.3 2,-0.3 -0.584 26.3-119.3 -89.8 151.1 -4.9 14.8 22.8 45 45 A K + 0 0 139 -2,-0.2 5,-0.2 5,-0.2 -1,-0.1 -0.623 40.1 164.6 -83.4 133.8 -6.8 13.9 26.0 46 46 A T > - 0 0 55 3,-0.5 3,-1.6 -2,-0.3 0, 0.0 -0.934 54.5 -94.1-136.8 171.2 -4.7 13.2 29.1 47 47 A P T 3 S+ 0 0 139 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.759 127.0 49.7 -56.1 -21.6 -5.6 13.1 32.9 48 48 A E T 3 S- 0 0 155 1,-0.4 2,-0.2 3,-0.0 -3,-0.0 0.551 123.4 -91.3 -98.6 -3.0 -4.6 16.7 33.1 49 49 A G S < S- 0 0 32 -3,-1.6 -3,-0.5 2,-0.0 -1,-0.4 -0.772 71.1 -18.9 120.9-174.1 -6.7 18.0 30.2 50 50 A L - 0 0 50 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.450 57.8-169.7 -70.0 133.9 -6.1 18.5 26.4 51 51 A R B -H 44 0C 51 -7,-2.4 -7,-2.6 -2,-0.2 2,-0.4 -1.000 11.3-147.7-132.2 130.6 -2.5 18.7 25.4 52 52 A N > - 0 0 4 -2,-0.4 4,-2.3 -9,-0.2 5,-0.2 -0.848 13.1-138.0 -98.6 136.7 -1.2 19.8 21.9 53 53 A S H > S+ 0 0 79 -11,-0.5 4,-1.9 -2,-0.4 -1,-0.1 0.835 101.5 51.6 -66.4 -35.7 2.0 18.1 20.6 54 54 A D H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.950 111.4 46.9 -67.3 -42.2 3.5 21.3 19.1 55 55 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.912 111.0 53.0 -64.6 -41.3 3.0 23.2 22.4 56 56 A L H X S+ 0 0 49 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.876 107.9 52.0 -59.6 -36.6 4.6 20.2 24.3 57 57 A A H X S+ 0 0 2 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.913 111.8 44.9 -65.4 -38.9 7.5 20.5 21.9 58 58 A L H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 3,-0.4 0.892 109.8 57.0 -73.2 -37.6 7.9 24.2 22.7 59 59 A Q H >< S+ 0 0 53 -4,-2.7 3,-1.0 1,-0.2 7,-0.2 0.956 112.1 39.4 -60.9 -50.9 7.5 23.5 26.4 60 60 A R H 3< S+ 0 0 141 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.512 112.0 55.4 -86.6 0.2 10.4 21.0 26.5 61 61 A N H 3< S+ 0 0 24 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.453 87.7 99.0 -97.7 -4.1 12.7 22.9 24.2 62 62 A S S << S- 0 0 12 -3,-1.0 -28,-0.2 -4,-0.7 4,-0.1 -0.520 73.4-140.3 -72.4 144.1 12.4 26.0 26.5 63 63 A S S S+ 0 0 38 -30,-0.3 2,-0.1 -2,-0.2 -29,-0.1 0.836 84.8 71.5 -81.3 -29.8 15.4 26.4 28.9 64 64 A L S S- 0 0 16 -31,-1.5 2,-0.7 1,-0.1 -2,-0.1 -0.442 93.7-113.4 -76.2 157.8 13.0 27.5 31.8 65 65 A Q - 0 0 162 -2,-0.1 2,-0.4 -31,-0.0 -2,-0.1 -0.823 47.9-179.1 -92.3 116.2 10.8 24.9 33.4 66 66 A L - 0 0 15 -2,-0.7 2,-0.2 -7,-0.2 -4,-0.1 -0.945 28.9-117.1-123.8 148.3 7.3 26.1 32.4 67 67 A D >> - 0 0 122 -2,-0.4 4,-1.4 1,-0.1 3,-0.7 -0.498 31.2-118.7 -74.7 151.1 3.7 24.9 33.1 68 68 A Y H >> S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.906 111.4 54.2 -60.6 -46.6 1.7 23.8 30.1 69 69 A A H 34 S+ 0 0 68 1,-0.3 -1,-0.2 2,-0.2 5,-0.0 0.760 104.7 56.7 -63.6 -21.6 -1.0 26.5 30.5 70 70 A T H <4 S+ 0 0 40 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.877 112.3 40.9 -72.1 -40.0 1.7 29.1 30.5 71 71 A V H << S+ 0 0 0 -4,-1.4 -34,-2.8 -3,-0.6 -2,-0.2 0.873 133.5 19.4 -75.1 -40.9 3.0 27.9 27.1 72 72 A N < + 0 0 2 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.720 59.6 170.5-138.4 85.2 -0.5 27.3 25.6 73 73 A P S S+ 0 0 47 0, 0.0 2,-0.6 0, 0.0 -34,-0.1 0.872 73.9 52.2 -63.5 -34.8 -3.5 29.0 27.2 74 74 A Y E +g 39 0B 19 -36,-2.2 -34,-1.7 -37,-0.3 2,-0.4 -0.892 66.7 169.8-111.7 112.6 -6.0 28.1 24.4 75 75 A T E -g 40 0B 29 -2,-0.6 2,-0.4 -36,-0.2 -34,-0.2 -0.979 6.9-178.6-124.0 126.5 -6.2 24.4 23.6 76 76 A F E -g 41 0B 0 -36,-2.3 -34,-1.2 -2,-0.4 10,-0.0 -0.932 23.1-142.7-126.8 145.2 -8.9 22.8 21.3 77 77 A A S S+ 0 0 30 -2,-0.4 -34,-1.7 -35,-0.2 -1,-0.1 0.965 78.0 76.3 -73.1 -45.6 -9.2 19.1 20.5 78 78 A E S S- 0 0 91 -36,-0.2 2,-2.1 -37,-0.1 -36,-0.2 -0.443 79.2-131.4 -75.8 128.8 -10.3 19.3 16.8 79 79 A P + 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.327 68.3 105.8 -71.4 56.7 -7.7 20.2 14.2 80 80 A T S S- 0 0 41 -2,-2.1 -39,-0.0 1,-0.1 0, 0.0 -0.590 83.2 -51.6-121.8-173.8 -9.6 23.0 12.3 81 81 A S >> - 0 0 33 -2,-0.2 4,-1.6 1,-0.1 3,-1.4 -0.456 52.0-125.3 -60.4 132.6 -9.4 26.8 12.2 82 82 A P H 3> S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.841 106.9 58.7 -47.0 -41.2 -9.4 28.3 15.7 83 83 A H H 3> S+ 0 0 48 40,-1.4 4,-1.4 1,-0.2 43,-0.1 0.813 106.4 49.0 -68.6 -24.5 -12.4 30.6 15.0 84 84 A I H <> S+ 0 0 79 -3,-1.4 4,-2.6 39,-0.2 -1,-0.2 0.980 116.8 37.3 -76.4 -57.6 -14.6 27.6 14.1 85 85 A I H X S+ 0 0 9 -4,-1.6 4,-2.7 1,-0.2 6,-0.2 0.897 114.1 56.8 -66.9 -36.1 -13.9 25.4 17.1 86 86 A S H X>S+ 0 0 10 -4,-2.7 5,-2.2 -5,-0.3 4,-1.1 0.939 111.6 43.9 -52.8 -46.6 -13.8 28.5 19.5 87 87 A A H ><5S+ 0 0 76 -4,-1.4 3,-0.6 -5,-0.3 -2,-0.2 0.938 113.1 52.2 -67.5 -40.2 -17.4 29.4 18.3 88 88 A Q H 3<5S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.2 40.4 -62.1 -43.9 -18.5 25.7 18.5 89 89 A E H 3<5S- 0 0 91 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.579 106.5-121.1 -83.3 -12.9 -17.3 25.4 22.1 90 90 A G T <<5S+ 0 0 64 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.857 72.1 127.7 70.6 37.9 -18.4 28.8 23.4 91 91 A R < - 0 0 147 -5,-2.2 -1,-0.1 -6,-0.2 -2,-0.1 -0.787 48.8-150.9-129.4 88.8 -14.8 29.8 24.4 92 92 A P - 0 0 97 0, 0.0 2,-0.8 0, 0.0 33,-0.1 -0.246 14.9-128.0 -52.9 138.4 -13.8 33.2 22.8 93 93 A I - 0 0 11 31,-0.4 2,-0.5 -10,-0.0 31,-0.1 -0.835 30.9-153.7 -93.1 111.8 -10.1 33.7 22.1 94 94 A E > - 0 0 87 -2,-0.8 4,-2.2 1,-0.1 3,-0.3 -0.755 18.9-149.1 -94.7 129.3 -9.4 37.0 23.8 95 95 A S H > S+ 0 0 19 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.891 100.5 56.9 -58.8 -38.8 -6.6 39.3 22.6 96 96 A L H > S+ 0 0 127 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.874 107.5 47.2 -63.1 -38.5 -6.1 40.5 26.3 97 97 A V H > S+ 0 0 64 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.931 111.7 50.2 -69.1 -44.7 -5.5 36.9 27.4 98 98 A M H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.936 115.8 43.1 -58.7 -44.7 -3.0 36.2 24.6 99 99 A S H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.904 111.1 53.9 -69.0 -39.9 -1.1 39.5 25.4 100 100 A A H X S+ 0 0 56 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.910 108.0 52.5 -62.6 -38.2 -1.2 38.9 29.2 101 101 A G H X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.915 107.8 49.5 -63.4 -42.1 0.4 35.4 28.6 102 102 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.926 111.6 49.2 -64.2 -41.5 3.2 36.9 26.6 103 103 A R H X S+ 0 0 93 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.898 107.5 55.9 -64.0 -39.1 3.8 39.5 29.4 104 104 A A H >< S+ 0 0 33 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.931 109.1 45.8 -59.0 -43.2 3.8 36.7 32.0 105 105 A L H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-2.0 0.907 104.1 63.4 -69.0 -38.9 6.6 34.9 30.1 106 106 A E H 3< S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.635 91.3 67.2 -61.9 -10.6 8.5 38.2 29.8 107 107 A Q T << S+ 0 0 159 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.668 119.0 18.3 -79.3 -18.0 8.8 38.2 33.6 108 108 A Q T <4 S+ 0 0 65 -3,-2.0 2,-0.4 -4,-0.3 -2,-0.2 0.568 117.4 62.5-129.5 -21.0 11.1 35.2 33.5 109 109 A A < - 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