==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-JUL-11 3T5A . COMPND 2 MOLECULE: LONG-CHAIN-FATTY-ACID--AMP LIGASE FADD28; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.GOYAL,R.SANKARANARAYANAN . 441 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 45 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 2 4 0 1 1 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 3 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 PARALLEL BRIDGES PER LADDER . 5 2 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 2 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 4 A R 0 0 220 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.4 9.6 4.8 -0.6 2 5 A S > - 0 0 29 1,-0.1 4,-2.2 4,-0.1 5,-0.2 -0.129 360.0 -91.7 -67.5 172.5 6.1 4.3 0.9 3 6 A L H > S+ 0 0 5 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.953 126.2 53.5 -54.9 -52.6 5.6 1.5 3.4 4 7 A P H > S+ 0 0 5 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.895 113.2 43.7 -50.2 -42.0 4.6 -1.1 0.8 5 8 A A H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.810 112.4 53.6 -72.7 -31.1 7.8 -0.4 -1.2 6 9 A A H X S+ 0 0 16 -4,-2.2 4,-1.8 -3,-0.3 -1,-0.2 0.944 111.4 45.0 -67.2 -47.8 9.8 -0.4 2.0 7 10 A L H X S+ 0 0 2 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.864 110.1 54.7 -63.9 -38.4 8.5 -3.8 3.0 8 11 A R H X S+ 0 0 104 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.929 109.1 48.6 -61.5 -44.2 9.0 -5.2 -0.5 9 12 A A H X S+ 0 0 36 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.851 110.7 50.3 -63.5 -37.1 12.6 -4.1 -0.3 10 13 A C H X S+ 0 0 8 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.868 106.4 55.8 -69.4 -35.5 13.0 -5.8 3.1 11 14 A A H < S+ 0 0 13 -4,-2.3 -2,-0.2 27,-0.2 -1,-0.2 0.898 117.0 36.2 -62.2 -39.5 11.5 -9.0 1.7 12 15 A R H < S+ 0 0 215 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.920 119.8 45.7 -80.1 -45.7 14.2 -9.0 -1.0 13 16 A L H < S+ 0 0 126 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.876 135.6 7.0 -67.3 -41.6 17.2 -7.6 1.0 14 17 A Q S >< S+ 0 0 58 -4,-2.3 3,-1.1 -5,-0.2 24,-0.5 -0.508 70.7 167.5-146.5 72.5 16.7 -9.8 4.1 15 18 A P T 3 S+ 0 0 40 0, 0.0 24,-2.1 0, 0.0 25,-0.5 0.774 78.5 36.2 -53.9 -40.1 14.0 -12.4 3.5 16 19 A H T 3 S+ 0 0 147 22,-0.2 -5,-0.1 21,-0.1 3,-0.0 0.175 86.2 111.2-110.3 18.6 14.6 -14.6 6.5 17 20 A D S < S- 0 0 77 -3,-1.1 21,-1.6 1,-0.1 22,-0.2 -0.706 80.8 -97.1 -90.0 141.4 15.7 -12.1 9.2 18 21 A P E +A 37 0A 78 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.301 49.0 168.4 -56.9 142.2 13.2 -11.7 12.1 19 22 A A E + 0 0 0 17,-1.9 205,-2.1 1,-0.4 2,-0.4 0.696 57.3 17.0-120.7 -61.2 11.0 -8.6 11.5 20 23 A F E -Ab 36 224A 0 16,-2.1 16,-2.2 203,-0.2 2,-0.4 -0.981 55.4-178.0-125.9 133.8 8.1 -8.5 13.8 21 24 A T E -Ab 35 225A 22 203,-2.3 205,-3.7 -2,-0.4 2,-0.5 -0.996 7.3-165.0-129.8 122.2 7.6 -10.3 17.1 22 25 A F E -Ab 34 226A 15 12,-2.3 12,-2.7 -2,-0.4 2,-0.8 -0.953 14.9-142.4-108.3 127.5 4.4 -9.9 19.1 23 26 A M E -A 33 0A 23 203,-3.4 2,-0.8 -2,-0.5 205,-0.4 -0.808 15.4-161.4 -91.9 110.8 4.6 -11.1 22.7 24 27 A D E > +A 32 0A 40 8,-2.8 8,-2.3 -2,-0.8 4,-0.6 -0.837 21.3 166.7 -97.0 108.3 1.2 -12.7 23.5 25 28 A Y T 4 + 0 0 11 -2,-0.8 -1,-0.1 6,-0.2 6,-0.1 0.347 53.7 95.0-101.1 5.8 0.7 -13.0 27.3 26 29 A E T 4 S+ 0 0 155 1,-0.1 -1,-0.2 6,-0.1 3,-0.1 0.841 101.9 18.6 -66.5 -34.2 -3.0 -13.7 27.1 27 30 A Q T 4 S+ 0 0 174 1,-0.3 2,-0.6 -3,-0.3 -2,-0.1 0.851 129.3 42.9-100.6 -54.2 -2.5 -17.5 27.2 28 31 A D >< - 0 0 72 -4,-0.6 3,-1.3 1,-0.1 -1,-0.3 -0.857 67.9-150.9-100.2 121.9 1.0 -17.9 28.6 29 32 A W T 3 S+ 0 0 126 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.1 0.778 100.5 51.9 -58.1 -30.9 1.9 -15.6 31.6 30 33 A D T 3 S- 0 0 122 -6,-0.1 -1,-0.3 1,-0.0 -5,-0.1 0.640 120.6-112.5 -81.2 -15.6 5.6 -15.7 30.6 31 34 A G < - 0 0 18 -3,-1.3 2,-0.5 -7,-0.1 -6,-0.2 0.526 15.2-120.5 90.4 128.7 4.6 -14.7 27.1 32 35 A V E -A 24 0A 71 -8,-2.3 -8,-2.8 -4,-0.2 2,-0.7 -0.884 23.5-137.9-102.7 124.6 4.7 -16.5 23.7 33 36 A A E -A 23 0A 54 -2,-0.5 2,-0.7 -10,-0.2 -10,-0.2 -0.746 14.8-165.8 -85.5 112.5 6.7 -14.8 21.0 34 37 A I E -A 22 0A 62 -12,-2.7 -12,-2.3 -2,-0.7 2,-0.3 -0.881 19.4-170.7 -99.1 110.4 4.8 -14.9 17.6 35 38 A T E -A 21 0A 59 -2,-0.7 2,-0.4 -14,-0.2 -14,-0.2 -0.788 20.3-173.2-112.5 150.5 7.4 -14.0 15.0 36 39 A L E -A 20 0A 5 -16,-2.2 -16,-2.1 -2,-0.3 -17,-1.9 -0.997 18.2-140.2-138.3 128.5 7.4 -13.2 11.3 37 40 A T E > -A 18 0A 21 -2,-0.4 4,-2.8 -19,-0.2 5,-0.3 -0.305 38.4 -96.2 -78.2 170.3 10.5 -12.7 9.1 38 41 A W H > S+ 0 0 1 -21,-1.6 4,-2.5 -24,-0.5 -27,-0.2 0.889 125.4 46.5 -56.9 -42.2 10.5 -9.9 6.5 39 42 A S H > S+ 0 0 20 -24,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.874 113.9 48.6 -70.6 -33.8 9.4 -12.2 3.6 40 43 A Q H > S+ 0 0 72 -25,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.902 112.7 47.4 -70.7 -40.7 6.7 -13.8 5.8 41 44 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.947 113.5 49.6 -63.3 -47.3 5.4 -10.4 6.8 42 45 A Y H X S+ 0 0 48 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.912 109.3 51.1 -58.3 -44.9 5.5 -9.3 3.2 43 46 A R H X S+ 0 0 82 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.918 109.5 49.5 -60.5 -45.0 3.6 -12.4 2.0 44 47 A R H X S+ 0 0 42 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.871 110.2 53.0 -62.0 -34.9 0.8 -11.9 4.6 45 48 A T H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 106.5 51.2 -67.3 -42.8 0.6 -8.3 3.4 46 49 A L H X S+ 0 0 39 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.943 109.8 50.6 -60.6 -46.0 0.2 -9.3 -0.2 47 50 A N H X S+ 0 0 22 -4,-2.2 4,-1.6 94,-0.3 -1,-0.2 0.839 110.0 48.9 -62.5 -34.8 -2.6 -11.7 0.6 48 51 A V H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.951 111.9 48.8 -69.5 -47.2 -4.5 -9.1 2.7 49 52 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.904 107.4 56.6 -56.0 -42.1 -4.2 -6.5 -0.1 50 53 A Q H < S+ 0 0 95 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.892 109.1 46.3 -57.8 -41.9 -5.4 -9.2 -2.6 51 54 A E H >< S+ 0 0 91 -4,-1.6 3,-1.5 -3,-0.2 4,-0.2 0.931 111.3 51.3 -66.0 -46.7 -8.6 -9.7 -0.5 52 55 A L H >< S+ 0 0 2 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.801 94.5 72.1 -61.6 -32.1 -9.2 -5.9 -0.2 53 56 A S T 3< S+ 0 0 50 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.632 88.5 63.5 -61.4 -13.0 -8.9 -5.4 -4.0 54 57 A R T < S+ 0 0 194 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.3 0.630 96.1 67.8 -85.6 -15.3 -12.3 -7.1 -4.5 55 58 A C S < S- 0 0 17 -3,-2.0 56,-0.1 -4,-0.2 57,-0.1 -0.886 109.0 -39.7-108.5 136.9 -14.0 -4.4 -2.5 56 59 A G S S- 0 0 49 -2,-0.4 2,-0.2 55,-0.1 3,-0.0 -0.007 79.8 -79.0 50.4-150.4 -14.4 -0.8 -3.7 57 60 A S > - 0 0 70 1,-0.1 3,-2.0 26,-0.0 54,-0.1 -0.828 56.1 -52.0-141.4 179.3 -11.6 1.0 -5.5 58 61 A T T 3 S+ 0 0 47 1,-0.3 26,-0.2 -2,-0.2 25,-0.1 -0.272 120.9 26.7 -56.3 133.1 -8.2 2.8 -5.1 59 62 A G T 3 S+ 0 0 18 24,-2.7 -1,-0.3 1,-0.4 25,-0.2 0.291 88.7 128.2 97.0 -12.9 -8.5 5.6 -2.5 60 63 A D < - 0 0 41 -3,-2.0 25,-2.6 23,-0.2 -1,-0.4 -0.422 62.0-111.1 -73.3 155.1 -11.4 4.1 -0.6 61 64 A R E -g 85 0B 24 48,-0.4 50,-3.2 47,-0.3 51,-0.9 -0.630 24.9-166.6 -90.0 149.0 -10.9 3.7 3.1 62 65 A V E -gh 86 112B 1 23,-1.6 25,-1.4 -2,-0.3 51,-0.2 -0.947 16.8-143.0-135.2 108.8 -10.5 0.5 4.9 63 66 A V E -gh 87 113B 2 49,-1.9 51,-3.2 -2,-0.4 2,-0.5 -0.399 3.0-149.1 -72.6 147.6 -10.9 0.6 8.7 64 67 A I E +gh 88 114B 0 23,-2.1 25,-2.8 49,-0.2 2,-0.3 -0.982 24.9 164.0-120.1 115.2 -8.7 -1.5 11.0 65 68 A S E +g 89 0B 8 49,-2.7 51,-0.4 -2,-0.5 25,-0.2 -0.742 29.7 118.1-135.0 81.7 -10.5 -2.4 14.2 66 69 A A - 0 0 4 23,-0.6 25,-0.3 -2,-0.3 3,-0.1 -0.918 63.6 -93.7-139.8 164.6 -8.6 -5.3 15.8 67 70 A P - 0 0 54 0, 0.0 5,-0.4 0, 0.0 2,-0.1 -0.273 60.8 -71.3 -76.7 169.2 -6.7 -5.8 19.0 68 71 A Q S S+ 0 0 32 4,-0.1 2,-0.3 3,-0.1 160,-0.1 -0.409 91.0 91.3 -59.8 129.0 -3.0 -5.2 19.4 69 72 A G S > S- 0 0 5 -2,-0.1 4,-1.5 158,-0.1 3,-0.3 -0.953 91.0 -67.6 164.5 178.3 -1.3 -8.0 17.5 70 73 A L H > S+ 0 0 7 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.668 122.8 62.8 -68.9 -17.4 0.2 -9.2 14.3 71 74 A E H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 102.8 49.7 -71.7 -42.3 -3.2 -9.3 12.6 72 75 A Y H > S+ 0 0 2 -5,-0.4 4,-2.7 -3,-0.3 -2,-0.2 0.936 110.5 51.4 -60.1 -47.7 -3.5 -5.5 13.2 73 76 A V H X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.941 113.8 40.2 -56.5 -55.0 -0.0 -5.0 11.6 74 77 A V H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.827 113.6 57.2 -66.2 -29.2 -0.6 -7.0 8.4 75 78 A A H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.945 110.1 43.2 -64.8 -47.6 -4.1 -5.5 8.2 76 79 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 3,-0.4 0.971 118.1 42.9 -60.9 -57.6 -2.7 -2.0 8.2 77 80 A L H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.807 110.9 59.6 -59.5 -30.3 0.1 -2.7 5.8 78 81 A G H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.907 102.4 51.2 -65.3 -42.2 -2.4 -4.7 3.7 79 82 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 -3,-0.4 3,-0.5 0.940 111.8 46.6 -60.0 -48.6 -4.6 -1.7 3.3 80 83 A L H ><5S+ 0 0 6 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.916 108.5 55.0 -61.0 -45.2 -1.7 0.5 2.0 81 84 A Q H 3<5S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 68,-0.2 0.777 106.8 52.9 -59.3 -28.4 -0.4 -2.2 -0.3 82 85 A A T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.340 119.0-109.0 -90.8 6.3 -3.9 -2.3 -1.9 83 86 A G T < 5S+ 0 0 1 -3,-1.9 -24,-2.7 1,-0.3 2,-0.3 0.789 75.7 134.6 72.3 26.3 -4.0 1.4 -2.5 84 87 A R < - 0 0 11 -5,-2.4 2,-0.9 -26,-0.2 -1,-0.3 -0.730 62.4-114.7-105.9 157.0 -6.6 2.0 0.2 85 88 A I E -g 61 0B 8 -25,-2.6 -23,-1.6 -2,-0.3 72,-0.2 -0.814 35.5-141.6 -95.4 104.0 -6.6 4.7 2.9 86 89 A A E -gi 62 157B 0 70,-1.6 72,-2.4 -2,-0.9 -23,-0.2 -0.226 12.0-161.2 -62.3 151.8 -6.2 2.9 6.2 87 90 A V E -g 63 0B 0 -25,-1.4 -23,-2.1 70,-0.2 2,-0.5 -0.747 13.2-152.6-135.7 82.3 -8.2 4.1 9.2 88 91 A P E +g 64 0B 1 0, 0.0 72,-0.4 0, 0.0 2,-0.3 -0.455 30.2 158.0 -63.8 114.5 -6.4 2.7 12.3 89 92 A L E -g 65 0B 20 -25,-2.8 -23,-0.6 -2,-0.5 2,-0.2 -0.779 37.3-112.9-127.1 173.0 -9.0 2.3 15.0 90 93 A S - 0 0 25 -2,-0.3 3,-0.1 -25,-0.2 -26,-0.0 -0.517 49.5 -76.0-100.6 172.5 -9.3 0.2 18.1 91 94 A V S S- 0 0 34 -25,-0.3 -1,-0.1 -2,-0.2 -25,-0.1 -0.495 72.5 -84.9 -64.6 139.3 -11.8 -2.5 18.7 92 95 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.192 55.5-170.5 -51.2 133.7 -15.1 -0.7 19.5 93 96 A Q + 0 0 96 1,-0.1 7,-0.3 -3,-0.1 8,-0.2 -0.905 53.8 54.9-127.4 155.0 -15.4 0.3 23.2 94 97 A G S S- 0 0 48 -2,-0.3 3,-0.3 5,-0.1 -1,-0.1 0.311 99.9-101.1 106.3 -7.2 -18.2 1.7 25.3 95 98 A G > - 0 0 42 1,-0.2 3,-1.2 2,-0.1 -2,-0.1 -0.283 57.9 -46.9 87.2-174.5 -20.7 -1.1 24.5 96 99 A V T 3 S+ 0 0 101 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.0 0.797 134.3 56.6 -66.2 -30.6 -23.6 -1.2 22.1 97 100 A T T 3 S+ 0 0 121 -3,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.432 87.8 95.6 -83.3 1.6 -25.0 2.2 23.3 98 101 A D < - 0 0 34 -3,-1.2 3,-0.4 1,-0.1 4,-0.3 -0.834 52.0-170.8 -98.9 125.7 -21.7 4.0 22.5 99 102 A E > + 0 0 129 -2,-0.5 4,-1.1 1,-0.2 -1,-0.1 -0.174 53.3 107.5-107.6 41.2 -21.4 5.7 19.2 100 103 A R H > S+ 0 0 128 -7,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.772 89.0 41.1 -84.9 -26.5 -17.7 6.7 18.9 101 104 A S H > S+ 0 0 21 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.862 112.0 54.9 -83.8 -40.9 -17.1 4.0 16.3 102 105 A D H > S+ 0 0 50 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.899 109.2 50.0 -57.5 -41.8 -20.3 4.7 14.5 103 106 A S H X S+ 0 0 43 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.912 111.1 46.4 -64.8 -45.4 -19.2 8.3 14.2 104 107 A V H X S+ 0 0 13 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.856 114.4 48.8 -67.2 -34.5 -15.8 7.6 12.9 105 108 A L H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.902 110.1 50.9 -69.4 -42.8 -17.3 5.1 10.4 106 109 A S H < S+ 0 0 95 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.707 111.6 49.5 -67.7 -21.1 -19.8 7.6 9.2 107 110 A D H < S+ 0 0 27 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.759 120.5 32.6 -89.6 -26.5 -17.1 10.2 8.8 108 111 A S H < S- 0 0 1 -4,-1.3 -47,-0.3 -3,-0.2 -2,-0.2 0.619 85.2-151.0-104.3 -16.9 -14.8 8.0 6.7 109 112 A S < - 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