==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 16-JUL-07 2QMO . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR M.CHRUSZCZ,X.XU,M.CUFF,M.CYMBOROWSKI,H.ZHENG,A.SAVCHENKO,A.E . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 2 0 0 0 2 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 G 0 0 98 0, 0.0 218,-0.1 0, 0.0 113,-0.1 0.000 360.0 360.0 360.0-167.3 21.3 25.3 10.2 2 0 A H + 0 0 56 216,-0.3 113,-2.2 113,-0.1 2,-0.4 0.434 360.0 125.5-132.7 140.4 21.5 22.6 11.0 3 1 A X E -a 115 0A 12 111,-0.2 140,-2.5 138,-0.2 2,-0.5 -0.998 24.9-168.7-138.3 133.2 24.4 20.8 12.6 4 2 A L E -ab 116 143A 1 111,-2.4 113,-2.6 -2,-0.4 2,-0.3 -0.985 9.4-153.5-126.6 114.7 24.5 18.8 15.8 5 3 A F E -ab 117 144A 0 138,-3.2 140,-3.1 -2,-0.5 2,-0.5 -0.697 11.4-155.5 -78.8 141.3 27.7 17.7 17.4 6 4 A I E +ab 118 145A 0 111,-2.6 113,-2.8 -2,-0.3 140,-0.2 -0.987 22.3 158.6-122.5 124.4 27.5 14.5 19.6 7 5 A S E - b 0 146A 2 138,-2.1 140,-2.6 -2,-0.5 2,-0.3 -0.592 25.3-133.0-126.3-178.4 30.0 13.9 22.4 8 6 A A E - b 0 147A 4 138,-0.3 115,-0.4 -2,-0.2 140,-0.2 -0.989 17.4-129.6-140.2 154.8 29.9 11.7 25.5 9 7 A T S S- 0 0 17 138,-2.7 2,-0.3 -2,-0.3 139,-0.1 0.844 92.5 -4.1 -66.0 -37.3 30.7 11.9 29.2 10 8 A N S > S- 0 0 50 137,-0.4 3,-1.7 -3,-0.1 -1,-0.2 -0.968 77.1 -95.2-155.9 162.0 32.8 8.8 29.0 11 9 A T T 3 S+ 0 0 141 -2,-0.3 3,-0.4 1,-0.3 4,-0.1 0.760 118.7 57.1 -53.5 -28.0 33.9 5.9 26.8 12 10 A N T 3 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 136,-0.0 0.189 77.5 97.8 -91.7 19.3 31.1 3.7 28.1 13 11 A A S < S- 0 0 2 -3,-1.7 -1,-0.2 136,-0.1 164,-0.2 0.761 81.7-129.7 -85.3 -24.3 28.2 6.0 27.2 14 12 A G > + 0 0 26 -3,-0.4 4,-1.8 -4,-0.2 5,-0.2 0.822 45.3 159.5 78.3 34.0 27.0 4.5 23.9 15 13 A K H > + 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 68.5 57.3 -57.1 -36.6 27.0 7.7 22.0 16 14 A T H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 105.9 49.6 -63.8 -42.6 27.2 6.0 18.5 17 15 A T H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 113.7 46.9 -55.5 -47.5 24.0 4.0 19.2 18 16 A C H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.919 110.0 51.9 -66.2 -45.8 22.3 7.2 20.2 19 17 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.939 112.0 47.2 -55.3 -43.9 23.5 9.1 17.2 20 18 A R H X S+ 0 0 59 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.897 112.0 50.0 -66.1 -41.5 22.2 6.3 14.9 21 19 A L H X S+ 0 0 62 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.897 111.9 47.7 -63.5 -42.5 18.8 6.2 16.7 22 20 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.933 113.4 46.6 -66.6 -43.6 18.4 10.0 16.4 23 21 A A H X S+ 0 0 3 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.908 112.0 52.1 -64.9 -36.4 19.3 10.1 12.7 24 22 A Q H X S+ 0 0 132 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.931 112.4 46.2 -60.9 -44.5 17.0 7.1 12.1 25 23 A Y H X S+ 0 0 62 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.940 112.9 48.4 -64.6 -47.1 14.2 8.9 13.8 26 24 A C H ><>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 3,-0.6 0.946 112.2 49.1 -58.8 -50.9 14.9 12.2 12.0 27 25 A N H ><5S+ 0 0 51 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.904 108.6 53.1 -53.4 -42.4 15.0 10.4 8.6 28 26 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 107.6 52.3 -67.5 -26.4 11.7 8.6 9.4 29 27 A C T <<5S- 0 0 67 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.263 126.2-101.1 -88.2 6.2 10.1 12.1 10.1 30 28 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.615 83.2 131.4 80.2 13.3 11.3 13.4 6.7 31 29 A V < - 0 0 21 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.2 -0.880 57.8-136.6 -97.1 105.0 14.3 15.3 8.2 32 30 A K - 0 0 84 -2,-0.8 82,-2.1 -3,-0.1 81,-1.7 -0.499 33.2-179.3 -75.2 114.0 17.1 14.2 5.9 33 31 A T E -c 114 0A 0 -2,-0.5 2,-0.4 -10,-0.2 82,-0.2 -0.961 19.1-161.6-128.2 131.1 20.0 13.6 8.1 34 32 A I E -c 115 0A 0 80,-2.1 82,-3.0 -2,-0.4 2,-0.5 -0.895 13.4-140.6-110.1 149.2 23.6 12.4 7.7 35 33 A L E -c 116 0A 1 -2,-0.4 2,-0.3 21,-0.3 82,-0.2 -0.917 21.7-174.7-110.3 122.4 26.0 10.9 10.3 36 34 A L E -c 117 0A 0 80,-2.8 82,-3.0 -2,-0.5 37,-0.2 -0.909 19.2-172.6-119.8 146.0 29.6 12.0 10.1 37 35 A K + 0 0 5 35,-2.4 37,-0.2 -2,-0.3 82,-0.1 -0.741 12.2 176.0-132.1 77.2 32.6 10.8 12.2 38 36 A P + 0 0 1 0, 0.0 36,-2.0 0, 0.0 37,-2.0 0.810 69.0 30.2 -63.6 -31.9 35.4 13.2 11.1 39 37 A I E +f 75 0B 0 79,-0.5 2,-0.4 35,-0.2 37,-0.2 -0.994 68.8 172.3-127.2 127.3 38.0 11.9 13.5 40 38 A E E -f 76 0B 14 35,-2.6 37,-2.3 -2,-0.4 3,-0.2 -0.992 8.7-169.5-139.8 136.0 38.3 8.3 14.7 41 39 A T + 0 0 32 -2,-0.4 39,-0.2 35,-0.2 37,-0.2 -0.687 66.0 41.8-111.1 168.4 41.0 6.5 16.7 42 40 A G S S+ 0 0 44 37,-2.0 2,-0.3 -2,-0.2 36,-0.3 0.790 84.5 136.5 70.8 28.1 41.4 2.8 17.4 43 41 A V - 0 0 13 34,-2.7 2,-0.2 36,-0.2 -1,-0.2 -0.731 39.3-176.6-111.8 159.5 40.6 1.7 13.8 44 42 A N >> - 0 0 78 4,-0.3 4,-2.0 -2,-0.3 3,-1.3 -0.701 9.0-175.5-149.9 90.8 41.9 -0.8 11.3 45 43 A D T 34 S+ 0 0 49 1,-0.3 -1,-0.1 -2,-0.2 6,-0.0 0.635 78.1 61.3 -74.2 -19.2 39.9 -0.4 8.1 46 44 A A T 34 S+ 0 0 82 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.768 121.5 23.1 -66.9 -27.5 41.6 -3.2 6.2 47 45 A I T <4 S+ 0 0 135 -3,-1.3 2,-0.4 1,-0.2 -2,-0.2 0.636 120.3 47.0-118.0 -24.1 40.3 -5.8 8.8 48 46 A N < + 0 0 84 -4,-2.0 3,-0.4 1,-0.0 -4,-0.3 -0.973 43.3 179.6-136.4 115.6 37.3 -4.3 10.7 49 47 A H + 0 0 121 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.0 -0.202 68.6 86.1-105.8 39.4 34.3 -2.7 9.0 50 48 A S + 0 0 82 4,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.195 54.6 126.1-124.9 16.5 32.5 -2.1 12.4 51 49 A S S > S- 0 0 13 -3,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.120 79.1 -99.5 -64.1 169.2 34.0 1.3 13.3 52 50 A D H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.937 126.4 52.0 -58.8 -44.6 31.7 4.2 14.1 53 51 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.863 107.0 52.1 -63.1 -34.7 32.2 5.5 10.7 54 52 A H H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 110.8 47.1 -65.0 -41.7 31.4 2.2 9.1 55 53 A L H X S+ 0 0 42 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.929 113.6 49.2 -64.3 -44.6 28.1 2.0 11.0 56 54 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 -21,-0.3 0.911 109.0 52.8 -56.1 -48.8 27.4 5.6 10.0 57 55 A L H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 105.8 53.7 -55.8 -44.4 28.2 4.8 6.4 58 56 A Q H < S+ 0 0 120 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.946 113.4 42.7 -55.8 -48.4 25.7 1.8 6.4 59 57 A D H >< S+ 0 0 33 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.896 114.0 51.3 -66.9 -43.6 23.0 4.1 7.6 60 58 A N H >X S+ 0 0 4 -4,-3.1 3,-2.2 1,-0.2 4,-1.7 0.823 96.5 67.2 -62.7 -33.1 23.9 6.9 5.3 61 59 A R T 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.656 85.2 72.7 -69.7 -11.1 23.9 4.7 2.2 62 60 A L T <4 S+ 0 0 141 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.607 110.2 32.1 -70.8 -10.1 20.1 4.3 2.6 63 61 A L T <4 S+ 0 0 59 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.674 136.3 18.6-113.4 -30.6 20.0 7.9 1.4 64 62 A D >< - 0 0 57 -4,-1.7 3,-1.6 1,-0.1 -1,-0.2 -0.851 57.0-168.3-149.1 105.1 23.0 8.1 -0.9 65 63 A R T 3 S+ 0 0 158 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.722 85.2 66.1 -64.7 -23.7 24.5 4.9 -2.3 66 64 A S T 3 S+ 0 0 82 2,-0.0 -1,-0.3 -5,-0.0 -5,-0.1 0.548 74.5 112.7 -80.6 -9.0 27.5 6.7 -3.7 67 65 A L < - 0 0 9 -3,-1.6 2,-0.3 -7,-0.1 -6,-0.0 -0.381 45.4-172.6 -66.7 145.2 28.8 7.6 -0.2 68 66 A T >> - 0 0 58 1,-0.0 3,-1.6 -2,-0.0 4,-0.5 -0.824 39.8 -97.4-128.8 171.8 32.1 6.0 0.9 69 67 A L H >> S+ 0 0 29 1,-0.3 3,-1.8 -2,-0.3 4,-1.3 0.901 120.8 57.5 -59.9 -42.8 34.0 6.0 4.1 70 68 A K H 34 S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.653 98.7 62.3 -67.4 -14.6 36.4 8.8 3.0 71 69 A D H <4 S+ 0 0 57 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.681 116.4 27.9 -77.8 -19.0 33.3 11.1 2.4 72 70 A I H << S+ 0 0 0 -3,-1.8 -35,-2.4 -4,-0.5 2,-0.3 0.450 121.9 44.8-125.2 -3.3 32.3 11.0 6.1 73 71 A S < + 0 0 4 -4,-1.3 -1,-0.3 -37,-0.2 -34,-0.2 -0.980 52.8 172.3-151.4 128.7 35.5 10.4 8.1 74 72 A F + 0 0 42 -36,-2.0 2,-0.4 -2,-0.3 -35,-0.2 0.662 66.1 42.3-119.6 -25.2 38.8 12.2 7.4 75 73 A Y E +f 39 0B 31 -37,-2.0 -35,-2.6 2,-0.0 2,-0.4 -0.962 65.7 172.1-134.7 109.7 41.4 11.5 10.1 76 74 A R E -f 40 0B 48 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.988 6.2-174.6-130.5 128.4 41.6 7.8 11.1 77 75 A Y - 0 0 1 -37,-2.3 -34,-2.7 -2,-0.4 -35,-0.1 -0.904 28.9-145.7-127.4 145.8 44.2 6.3 13.4 78 76 A H S S+ 0 0 117 -2,-0.3 -1,-0.1 -36,-0.3 -37,-0.1 0.825 77.7 90.2 -71.3 -39.5 45.1 2.8 14.6 79 77 A K S S- 0 0 83 1,-0.1 -37,-2.0 -37,-0.1 -36,-0.2 -0.314 72.2-141.0 -60.7 144.3 46.2 4.0 18.0 80 78 A V + 0 0 124 -39,-0.2 -1,-0.1 -38,-0.2 -39,-0.1 0.550 69.1 103.9 -79.9 -6.5 43.5 4.1 20.8 81 79 A S S S- 0 0 28 1,-0.2 -4,-0.1 2,-0.1 -40,-0.0 0.187 87.7 -62.1 -65.2-173.7 44.9 7.3 22.2 82 80 A A > - 0 0 27 1,-0.1 4,-2.5 -41,-0.0 3,-0.5 -0.399 56.3-110.4 -60.1 147.2 43.6 10.9 22.0 83 81 A P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.882 116.2 57.9 -55.4 -39.3 43.6 12.1 18.4 84 82 A L H > S+ 0 0 12 42,-2.3 4,-2.5 1,-0.2 5,-0.2 0.924 112.2 41.3 -56.7 -47.7 46.5 14.5 19.0 85 83 A I H > S+ 0 0 63 -3,-0.5 4,-2.1 41,-0.3 5,-0.2 0.915 113.9 51.4 -68.1 -43.0 48.8 11.7 20.2 86 84 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.936 113.2 46.9 -60.3 -42.7 47.6 9.2 17.6 87 85 A Q H X S+ 0 0 10 -4,-3.0 4,-2.9 -5,-0.3 7,-0.3 0.932 110.3 50.9 -61.9 -51.2 48.3 11.8 14.9 88 86 A Q H < S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.859 118.1 40.1 -58.4 -38.1 51.7 12.8 16.2 89 87 A E H < S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.930 127.6 28.0 -80.8 -41.7 52.8 9.2 16.3 90 88 A E H < S+ 0 0 64 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.745 135.6 20.7 -89.3 -30.9 51.2 7.8 13.0 91 89 A D >< + 0 0 79 -4,-2.9 3,-2.3 -5,-0.3 -1,-0.2 -0.530 65.0 167.1-140.5 61.4 51.1 10.9 10.7 92 90 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.779 79.2 50.3 -57.8 -26.4 53.7 13.4 12.1 93 91 A N T 3 S+ 0 0 162 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.0 0.338 103.5 64.5 -91.1 6.0 53.5 15.5 8.9 94 92 A A < - 0 0 39 -3,-2.3 -1,-0.2 -7,-0.3 3,-0.1 -0.588 66.2-172.7-132.2 75.2 49.7 15.8 8.9 95 93 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 33,-0.1 -0.277 42.6 -92.8 -59.0 152.8 48.2 17.6 11.8 96 94 A I - 0 0 5 31,-0.4 2,-0.7 1,-0.1 31,-0.0 -0.562 40.1-150.6 -68.0 127.6 44.5 17.6 12.1 97 95 A D > - 0 0 76 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.868 15.4-175.1-108.3 101.4 43.2 20.7 10.3 98 96 A T H > S+ 0 0 3 -2,-0.7 4,-2.3 1,-0.2 -1,-0.1 0.718 83.8 60.6 -72.7 -21.2 39.9 21.8 11.8 99 97 A D H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.933 107.6 45.6 -65.5 -45.5 39.5 24.6 9.2 100 98 A N H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.951 114.1 49.4 -61.1 -45.5 39.5 21.8 6.5 101 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.886 107.0 54.6 -63.7 -40.2 37.0 19.8 8.6 102 100 A T H X S+ 0 0 15 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.905 111.1 45.6 -60.4 -40.6 34.7 22.8 9.2 103 101 A Q H X S+ 0 0 135 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.945 114.7 47.5 -66.1 -44.8 34.5 23.2 5.3 104 102 A R H X S+ 0 0 126 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.901 115.1 44.2 -65.8 -43.2 34.0 19.6 4.7 105 103 A L H >< S+ 0 0 0 -4,-2.7 3,-1.0 -5,-0.2 4,-0.3 0.907 113.4 50.6 -67.0 -42.8 31.3 19.1 7.3 106 104 A H H >< S+ 0 0 63 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.717 96.1 69.8 -74.9 -18.7 29.5 22.4 6.4 107 105 A N H >< S+ 0 0 86 -4,-1.5 3,-1.5 1,-0.2 4,-0.4 0.791 89.9 64.2 -63.3 -31.6 29.3 21.4 2.8 108 106 A F G XX S+ 0 0 30 -3,-1.0 4,-1.3 -4,-0.6 3,-0.8 0.696 82.4 76.1 -69.8 -13.9 26.8 18.7 3.7 109 107 A T G <4 S+ 0 0 49 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.662 85.9 65.5 -71.0 -11.7 24.3 21.4 4.8 110 108 A K G <4 S+ 0 0 162 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.852 115.9 25.0 -67.4 -37.0 23.7 21.9 1.1 111 109 A T T <4 S+ 0 0 75 -3,-0.8 2,-0.3 -4,-0.4 -2,-0.2 0.441 118.5 58.4-112.8 -7.1 22.2 18.4 0.7 112 110 A Y < - 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