==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LIGASE 16-JAN-13 4ISB . COMPND 2 MOLECULE: LONG CHAIN FATTY ACID COA LIGASE FADD10; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Z.LIU,F.WANG,J.C.SACCHETTINI,TB STRUCTURAL GENOMICS CONSORTI . 1011 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 711 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 86 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 5 3 5 1 4 5 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 4 6 1 3 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 . 5 13 1 0 2 6 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 1 3 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 9 A X > 0 0 127 0, 0.0 3,-0.7 0, 0.0 182,-0.0 0.000 360.0 360.0 360.0 -93.7 61.6 -26.2 6.9 2 10 A P T 3 + 0 0 107 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.789 360.0 61.3 -75.7 -28.6 62.2 -29.8 8.0 3 11 A Q T 3 S+ 0 0 144 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.699 98.6 73.7 -63.4 -20.1 59.5 -29.9 10.7 4 12 A L S < S- 0 0 71 -3,-0.7 7,-0.1 1,-0.1 6,-0.0 -0.664 94.4 -92.7-105.0 152.7 56.9 -29.2 7.9 5 13 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.123 29.7-135.1 -54.8 158.7 55.4 -31.5 5.2 6 14 A S S S+ 0 0 63 143,-0.2 2,-0.3 -4,-0.0 168,-0.1 0.111 77.1 68.7-114.4 19.9 57.2 -31.4 1.9 7 15 A T S > S- 0 0 6 1,-0.1 4,-1.7 167,-0.1 5,-0.1 -0.966 77.1-128.1-130.0 155.4 54.2 -31.3 -0.5 8 16 A V H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 3,-0.3 0.955 109.6 53.9 -59.1 -52.9 51.7 -28.5 -1.1 9 17 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 107.8 50.3 -48.9 -47.7 48.8 -30.9 -0.6 10 18 A D H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 109.1 50.3 -68.4 -34.2 50.1 -32.0 2.8 11 19 A R H X S+ 0 0 20 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.902 110.4 50.9 -67.6 -38.2 50.5 -28.4 4.0 12 20 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.956 110.1 49.7 -59.5 -48.1 47.0 -27.7 2.9 13 21 A F H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.825 105.9 57.0 -62.4 -32.9 45.7 -30.7 4.8 14 22 A E H X S+ 0 0 51 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.935 107.9 46.9 -62.1 -44.0 47.6 -29.6 7.9 15 23 A Q H X S+ 0 0 31 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.926 108.1 56.0 -62.9 -46.6 45.8 -26.3 7.9 16 24 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.3 50.5 -55.0 -36.5 42.5 -28.0 7.4 17 25 A R H < S+ 0 0 147 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.884 112.7 47.0 -70.7 -35.0 43.1 -30.1 10.5 18 26 A Q H < S+ 0 0 119 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 133.5 13.1 -75.0 -34.1 43.9 -26.9 12.5 19 27 A Q >< + 0 0 37 -4,-2.7 3,-0.7 -5,-0.1 17,-0.4 -0.577 66.4 160.7-143.9 76.7 40.9 -25.0 11.3 20 28 A P T 3 S+ 0 0 36 0, 0.0 17,-2.2 0, 0.0 18,-0.4 0.664 76.9 55.1 -72.9 -17.9 38.3 -27.2 9.5 21 29 A E T 3 S+ 0 0 98 15,-0.2 2,-0.1 14,-0.1 -5,-0.1 0.611 84.9 97.0 -92.4 -15.1 35.5 -24.7 9.9 22 30 A A S < S- 0 0 33 -3,-0.7 14,-2.7 -6,-0.1 2,-0.3 -0.464 85.0-105.1 -74.8 144.9 37.2 -21.7 8.3 23 31 A I E -A 35 0A 57 12,-0.3 12,-0.3 1,-0.2 3,-0.1 -0.575 32.9-175.9 -72.2 129.9 36.5 -21.0 4.6 24 32 A A E + 0 0 0 10,-2.9 201,-2.3 1,-0.3 2,-0.3 0.840 65.8 3.9 -89.1 -43.0 39.3 -22.1 2.3 25 33 A L E +Ab 34 225A 0 9,-1.8 9,-3.2 199,-0.2 -1,-0.3 -0.994 60.6 150.2-148.8 147.1 37.9 -20.9 -1.0 26 34 A R E - b 0 226A 43 199,-1.6 201,-2.0 -2,-0.3 6,-0.2 -0.940 41.6-100.9-166.1 160.8 35.0 -19.0 -2.4 27 35 A R > - 0 0 24 4,-3.1 3,-1.9 -2,-0.3 201,-0.2 -0.365 44.1 -98.9 -78.8 168.6 34.2 -16.7 -5.4 28 36 A C T 3 S+ 0 0 8 1,-0.3 202,-0.1 2,-0.1 -1,-0.1 0.911 125.2 49.2 -54.8 -47.6 34.0 -12.9 -5.1 29 37 A D T 3 S- 0 0 80 200,-0.6 -1,-0.3 1,-0.1 201,-0.1 0.410 125.1-104.1 -76.0 4.1 30.2 -13.0 -5.0 30 38 A G S < S+ 0 0 35 -3,-1.9 3,-0.4 1,-0.3 -2,-0.1 0.478 77.5 129.4 91.3 2.4 30.4 -15.7 -2.3 31 39 A T + 0 0 76 1,-0.2 -4,-3.1 198,-0.1 -1,-0.3 -0.305 56.1 33.8 -85.1 174.1 29.5 -18.8 -4.3 32 40 A S S S+ 0 0 30 -6,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.776 82.9 179.5 52.5 35.1 31.3 -22.1 -4.7 33 41 A A - 0 0 46 -3,-0.4 2,-0.4 -7,-0.1 -7,-0.3 -0.456 12.0-173.4 -76.2 129.1 32.4 -21.8 -1.0 34 42 A L E -A 25 0A 2 -9,-3.2 -10,-2.9 -2,-0.3 -9,-1.8 -0.975 13.9-147.5-120.6 130.3 34.5 -24.5 0.6 35 43 A R E > -A 23 0A 102 -2,-0.4 4,-3.1 -12,-0.3 -12,-0.3 -0.519 38.0-103.5 -78.1 163.3 35.5 -24.8 4.2 36 44 A Y H > S+ 0 0 0 -14,-2.7 4,-2.3 -17,-0.4 -15,-0.2 0.926 125.8 47.5 -55.3 -45.3 38.9 -26.4 4.9 37 45 A R H > S+ 0 0 71 -17,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.864 113.3 47.7 -59.4 -40.6 37.1 -29.6 6.0 38 46 A E H > S+ 0 0 67 -18,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.866 109.8 53.3 -71.0 -35.7 34.8 -29.5 2.9 39 47 A L H X S+ 0 0 1 -4,-3.1 4,-3.5 2,-0.2 5,-0.2 0.933 107.5 51.6 -60.9 -47.8 37.9 -28.9 0.7 40 48 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.940 113.7 42.4 -56.3 -51.5 39.6 -32.0 2.2 41 49 A A H X S+ 0 0 58 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.871 114.1 51.9 -66.2 -35.0 36.6 -34.2 1.5 42 50 A E H X S+ 0 0 66 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.965 108.9 50.2 -68.4 -45.6 36.1 -32.7 -2.0 43 51 A V H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 5,-0.2 0.906 110.1 51.5 -54.7 -43.6 39.7 -33.3 -2.9 44 52 A G H X S+ 0 0 29 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.921 111.7 48.1 -55.6 -45.1 39.3 -36.9 -1.7 45 53 A G H X S+ 0 0 36 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.942 112.2 45.7 -63.9 -49.2 36.2 -37.2 -3.9 46 54 A L H X S+ 0 0 12 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.833 111.1 51.6 -68.9 -34.6 37.7 -35.8 -7.1 47 55 A A H X S+ 0 0 3 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.819 105.6 56.1 -71.8 -31.8 41.0 -37.8 -6.9 48 56 A A H X S+ 0 0 61 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.819 107.4 50.0 -68.5 -32.0 39.0 -41.0 -6.4 49 57 A D H X S+ 0 0 80 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.875 113.7 46.1 -64.3 -42.5 37.2 -40.1 -9.7 50 58 A L H <>S+ 0 0 0 -4,-1.7 5,-3.0 2,-0.2 -2,-0.2 0.861 111.6 48.6 -71.6 -39.0 40.7 -39.6 -11.3 51 59 A R H ><5S+ 0 0 194 -4,-2.8 3,-2.2 3,-0.2 -2,-0.2 0.953 111.1 52.9 -62.4 -46.7 42.2 -42.8 -9.9 52 60 A A H 3<5S+ 0 0 71 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 105.5 54.0 -53.2 -42.7 39.1 -44.6 -11.2 53 61 A Q T 3<5S- 0 0 91 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.066 128.3-100.8 -81.1 22.5 39.7 -43.0 -14.6 54 62 A S T < 5 + 0 0 98 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.566 67.9 154.4 73.9 12.8 43.3 -44.5 -14.5 55 63 A V < + 0 0 4 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.2 -0.619 18.2 169.0 -76.7 125.3 45.2 -41.3 -13.5 56 64 A S > - 0 0 65 -2,-0.4 3,-2.1 1,-0.1 2,-0.2 -0.613 43.2 -54.2-127.0-176.3 48.4 -42.3 -11.7 57 65 A R T 3 S+ 0 0 139 1,-0.3 26,-0.3 -2,-0.2 25,-0.2 -0.451 127.0 19.8 -64.6 130.8 51.7 -40.7 -10.4 58 66 A G T 3 S+ 0 0 35 24,-2.7 -1,-0.3 1,-0.4 25,-0.2 0.224 93.4 132.9 92.3 -14.5 53.3 -38.9 -13.3 59 67 A S < - 0 0 18 -3,-2.1 25,-3.5 22,-0.2 2,-0.4 -0.368 54.1-129.6 -65.8 148.9 50.1 -38.7 -15.2 60 68 A R E -i 84 0B 50 45,-0.4 47,-3.1 23,-0.2 48,-1.0 -0.861 20.1-168.1 -99.1 134.2 49.2 -35.2 -16.7 61 69 A V E -ij 85 108B 0 23,-3.0 25,-3.0 -2,-0.4 2,-0.6 -0.991 18.2-135.8-123.4 123.4 45.7 -33.8 -16.1 62 70 A L E -ij 86 109B 0 46,-2.6 48,-3.4 -2,-0.5 2,-0.8 -0.674 17.3-158.6 -77.2 117.3 44.5 -30.8 -18.2 63 71 A V E -ij 87 110B 0 23,-3.7 25,-2.2 -2,-0.6 2,-1.1 -0.829 4.6-153.9 -99.9 102.2 42.8 -28.4 -15.8 64 72 A I E -ij 88 111B 3 46,-3.4 48,-2.5 -2,-0.8 2,-0.3 -0.642 27.9-144.6 -82.2 106.3 40.5 -26.1 -17.8 65 73 A S E +i 89 0B 2 23,-2.7 25,-1.6 -2,-1.1 26,-0.2 -0.496 42.7 170.5 -87.2 130.7 40.6 -23.1 -15.4 66 74 A D - 0 0 15 -2,-0.3 -1,-0.1 2,-0.1 23,-0.1 0.160 58.2-117.4-103.8 9.6 37.8 -20.6 -14.5 67 75 A N S S+ 0 0 35 1,-0.2 135,-0.1 162,-0.1 162,-0.1 0.403 77.0 120.8 67.8 0.4 40.2 -19.2 -11.7 68 76 A G S >> S- 0 0 0 160,-0.2 4,-1.3 -43,-0.0 3,-1.0 -0.170 84.8 -82.1 -91.1-178.7 37.6 -20.3 -9.1 69 77 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.855 127.6 55.9 -46.4 -44.8 37.4 -22.7 -6.1 70 78 A E H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 101.1 58.2 -63.4 -33.3 36.9 -25.6 -8.4 71 79 A T H <> S+ 0 0 0 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.916 111.1 41.8 -59.8 -41.4 40.1 -24.8 -10.3 72 80 A Y H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.879 110.0 54.9 -79.7 -36.0 42.0 -25.1 -7.0 73 81 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.916 107.7 54.5 -54.3 -41.2 40.2 -28.2 -5.8 74 82 A S H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.866 107.2 47.6 -62.1 -42.5 41.3 -29.7 -9.2 75 83 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.935 114.0 47.9 -62.1 -46.0 45.0 -28.9 -8.7 76 84 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.813 108.0 54.0 -69.4 -30.9 44.8 -30.4 -5.2 77 85 A A H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.916 109.4 49.1 -70.1 -39.5 43.0 -33.5 -6.4 78 86 A C H >X>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-1.4 0.956 108.5 53.4 -57.0 -50.9 45.9 -34.0 -9.0 79 87 A A H ><5S+ 0 0 8 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.843 99.7 63.6 -52.5 -39.1 48.4 -33.5 -6.1 80 88 A K H 3<5S+ 0 0 49 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.821 110.8 36.8 -54.2 -34.4 46.6 -36.3 -4.2 81 89 A L H <<5S- 0 0 22 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.450 114.1-108.9-100.1 -2.4 47.6 -38.8 -6.9 82 90 A G T <<5S+ 0 0 2 -3,-0.9 -24,-2.7 -4,-0.7 -3,-0.2 0.660 73.4 145.8 75.8 15.6 51.0 -37.5 -7.8 83 91 A A < - 0 0 1 -5,-2.1 2,-0.5 -26,-0.3 -1,-0.3 -0.518 52.7-117.6 -80.8 155.0 49.5 -36.3 -11.0 84 92 A I E -i 60 0B 6 -25,-3.5 -23,-3.0 -2,-0.2 2,-0.9 -0.840 20.3-141.2 -97.7 122.5 50.7 -33.1 -12.8 85 93 A A E -ik 61 156B 0 70,-2.7 72,-1.9 -2,-0.5 2,-0.5 -0.728 12.6-157.5 -87.1 104.7 48.0 -30.4 -13.1 86 94 A V E -ik 62 157B 0 -25,-3.0 -23,-3.7 -2,-0.9 2,-0.7 -0.724 13.7-139.1 -82.4 127.9 48.4 -28.7 -16.5 87 95 A X E +i 63 0B 3 70,-2.1 72,-0.5 -2,-0.5 2,-0.4 -0.800 25.6 176.3 -95.9 119.5 46.9 -25.2 -16.3 88 96 A A E -i 64 0B 0 -25,-2.2 -23,-2.7 -2,-0.7 2,-0.3 -0.981 30.6-120.8-123.7 132.2 44.9 -24.2 -19.4 89 97 A D E > -i 65 0B 39 -2,-0.4 3,-0.6 -25,-0.2 -23,-0.1 -0.555 13.7-144.5 -74.2 128.0 42.9 -21.0 -19.7 90 98 A G T 3 S+ 0 0 4 -25,-1.6 -1,-0.1 -2,-0.3 -24,-0.1 0.831 95.5 59.5 -61.4 -36.0 39.2 -21.5 -20.3 91 99 A N T 3 S+ 0 0 145 -26,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.863 82.0 103.4 -62.3 -38.7 38.9 -18.5 -22.6 92 100 A L S < S- 0 0 65 -3,-0.6 5,-0.1 1,-0.1 2,-0.0 -0.111 82.9-100.0 -56.6 141.7 41.5 -19.7 -25.1 93 101 A P >> - 0 0 87 0, 0.0 3,-3.3 0, 0.0 4,-1.2 -0.304 34.4-109.2 -62.5 141.8 40.3 -21.2 -28.4 94 102 A I H 3> S+ 0 0 55 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.733 117.0 65.6 -51.9 -25.1 40.2 -25.0 -28.7 95 103 A A H 3> S+ 0 0 69 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.819 102.3 47.9 -65.2 -30.7 43.1 -24.9 -31.1 96 104 A A H <> S+ 0 0 21 -3,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.898 112.2 50.0 -72.9 -41.8 45.3 -23.6 -28.3 97 105 A I H X S+ 0 0 4 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.939 107.9 51.8 -57.5 -52.3 44.0 -26.3 -25.9 98 106 A E H X S+ 0 0 87 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.833 108.0 53.4 -57.3 -34.7 44.6 -29.1 -28.4 99 107 A R H X S+ 0 0 118 -4,-1.1 4,-2.0 2,-0.2 3,-0.3 0.889 105.6 51.8 -67.9 -42.5 48.2 -27.8 -28.7 100 108 A F H X S+ 0 0 14 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.900 109.6 52.9 -56.9 -40.8 48.7 -27.9 -24.9 101 109 A C H X S+ 0 0 21 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.739 105.1 53.4 -67.7 -27.0 47.4 -31.5 -25.3 102 110 A Q H < S+ 0 0 157 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.919 115.3 40.2 -71.2 -45.2 50.0 -32.3 -28.0 103 111 A I H < S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.1 0.915 127.3 30.4 -67.0 -47.7 52.9 -31.1 -25.7 104 112 A T H < S- 0 0 0 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.672 85.0-146.1 -93.6 -23.4 51.6 -32.6 -22.4 105 113 A D < - 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