==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 18-JAN-12 4DDK . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.L.SILVESTRE . 570 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.1 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.4 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 . 56 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 2 0 0 0 2 2 0 8 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 0 2 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 0 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 3 A I 0 0 197 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.2 2.4 15.1 -21.7 2 4 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 10,-0.0 0.626 360.0-161.1-101.9 147.1 2.0 13.9 -18.8 3 5 A A - 0 0 52 2,-0.0 2,-0.4 -2,-0.0 18,-0.1 -0.556 3.0-159.7 -78.7 146.3 3.5 16.0 -16.0 4 6 A F - 0 0 49 -2,-0.2 94,-0.1 6,-0.0 93,-0.0 -0.896 2.4-164.8-129.4 105.6 4.1 14.4 -12.6 5 7 A H > - 0 0 102 -2,-0.4 3,-1.3 92,-0.1 2,-0.0 -0.797 22.1-138.6 -87.7 105.9 4.4 16.7 -9.6 6 8 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.325 84.2 23.2 -64.5 143.6 6.0 14.6 -6.7 7 9 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 88,-0.1 89,-0.0 0.527 112.3 85.5 74.6 2.6 4.5 15.1 -3.3 8 10 A E S < S- 0 0 121 -3,-1.3 2,-0.7 89,-0.1 -1,-0.2 -0.872 89.2 -93.8-126.4 165.6 1.2 16.4 -4.7 9 11 A L - 0 0 23 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.733 38.2-166.4 -81.0 114.3 -2.0 14.9 -6.0 10 12 A N E -a 98 0A 10 87,-3.1 89,-2.9 -2,-0.7 2,-0.6 -0.896 5.2-156.4-101.6 126.2 -1.8 14.4 -9.7 11 13 A V E -a 99 0A 62 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.910 12.2-178.4-108.9 123.1 -5.1 13.6 -11.4 12 14 A Y E +a 100 0A 14 87,-2.6 89,-3.1 -2,-0.6 -2,-0.0 -0.975 17.9 176.7-120.7 138.3 -5.3 11.8 -14.7 13 15 A S + 0 0 62 -2,-0.4 90,-0.5 87,-0.2 -1,-0.1 0.696 62.7 83.9-105.6 -27.3 -8.3 10.9 -16.7 14 16 A A > - 0 0 40 1,-0.1 4,-2.0 88,-0.1 3,-0.4 -0.665 69.6-145.2 -85.4 126.4 -6.6 9.3 -19.7 15 17 A P H > S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.907 103.5 54.0 -51.4 -45.4 -5.7 5.6 -19.4 16 18 A G H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 105.7 53.1 -57.3 -40.3 -2.6 6.4 -21.5 17 19 A D H > S+ 0 0 53 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.951 113.8 40.0 -59.3 -54.1 -1.5 9.2 -19.2 18 20 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.888 114.2 55.0 -67.5 -33.0 -1.6 7.1 -16.0 19 21 A A H X S+ 0 0 17 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.929 111.0 44.7 -64.3 -44.8 -0.1 4.1 -17.9 20 22 A D H X S+ 0 0 73 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 115.0 47.1 -63.8 -46.2 2.9 6.2 -19.0 21 23 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.869 113.8 47.7 -65.1 -42.9 3.4 7.8 -15.6 22 24 A S H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.916 111.5 50.4 -61.4 -48.5 3.2 4.5 -13.8 23 25 A R H X S+ 0 0 83 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.866 112.7 48.2 -55.0 -42.9 5.6 2.9 -16.3 24 26 A A H X S+ 0 0 54 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.919 112.7 46.7 -68.5 -44.9 8.0 5.8 -15.7 25 27 A L H ><>S+ 0 0 17 -4,-2.4 5,-1.8 1,-0.2 3,-0.6 0.903 112.1 50.4 -65.5 -40.5 7.8 5.6 -11.9 26 28 A R H ><5S+ 0 0 81 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.874 107.3 55.0 -66.2 -36.1 8.2 1.8 -11.9 27 29 A L H 3<5S+ 0 0 128 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.673 103.5 55.0 -68.9 -20.7 11.3 2.2 -14.1 28 30 A T T <<5S- 0 0 111 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.389 127.1-100.2 -92.6 2.2 12.9 4.6 -11.6 29 31 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 1,-0.3 2,-0.2 0.361 77.3 136.3 100.6 -2.8 12.5 1.9 -8.9 30 32 A R < - 0 0 72 -5,-1.8 2,-0.5 1,-0.1 -1,-0.3 -0.503 54.6-124.0 -77.2 144.5 9.3 3.1 -7.1 31 33 A R E -b 58 0A 88 26,-2.4 28,-2.6 -2,-0.2 2,-0.5 -0.799 21.8-133.4 -99.1 128.0 6.8 0.4 -6.3 32 34 A V E -b 59 0A 0 -2,-0.5 119,-3.1 26,-0.2 120,-1.2 -0.693 19.8-168.8 -94.4 122.8 3.4 1.0 -7.7 33 35 A M E -bc 60 152A 0 26,-3.2 28,-3.5 -2,-0.5 2,-0.5 -0.897 5.1-157.8-109.1 129.9 0.3 0.4 -5.4 34 36 A L E -bc 61 153A 0 118,-2.6 120,-2.6 -2,-0.4 28,-0.2 -0.940 12.4-177.4-113.0 128.1 -3.2 0.4 -6.7 35 37 A V E -b 62 0A 0 26,-3.0 28,-1.7 -2,-0.5 2,-0.5 -0.913 17.6-156.5-116.6 94.8 -6.4 1.1 -4.7 36 38 A P E +b 63 0A 20 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.644 24.4 160.2 -76.8 124.7 -9.5 0.6 -7.0 37 39 A T E -b 64 0A 12 26,-1.9 28,-1.6 -2,-0.5 3,-0.1 -0.929 48.3-137.9-135.5 164.6 -12.5 2.4 -5.8 38 40 A M - 0 0 32 1,-0.4 26,-0.2 -2,-0.3 28,-0.1 -0.104 58.9-117.7-106.1 29.7 -15.9 3.8 -7.1 39 41 A G S S+ 0 0 1 24,-0.4 -1,-0.4 1,-0.1 3,-0.1 -0.147 81.4 113.0 66.7-160.4 -15.4 7.0 -5.1 40 42 A A - 0 0 0 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.974 65.9-157.6 55.8 53.6 -17.6 8.2 -2.3 41 43 A L + 0 0 9 42,-0.2 2,-0.2 4,-0.1 -1,-0.2 -0.362 22.2 173.4 -73.6 141.5 -14.7 7.6 -0.1 42 44 A H >> - 0 0 40 -3,-0.1 4,-1.6 -2,-0.1 3,-1.0 -0.720 52.9 -74.6-126.1-170.6 -15.0 7.0 3.6 43 45 A E H 3> S+ 0 0 78 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.794 126.0 60.6 -60.6 -32.4 -12.5 6.0 6.4 44 46 A G H 3> S+ 0 0 12 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.868 104.4 50.5 -62.0 -36.6 -12.3 2.4 5.3 45 47 A H H <> S+ 0 0 30 -3,-1.0 4,-2.4 2,-0.2 3,-0.3 0.910 106.2 55.9 -63.2 -41.1 -11.0 3.6 1.9 46 48 A L H X S+ 0 0 9 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.866 102.6 55.3 -64.5 -31.7 -8.4 5.6 3.8 47 49 A A H X S+ 0 0 20 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.861 107.1 50.5 -63.3 -40.2 -7.2 2.4 5.5 48 50 A L H X S+ 0 0 13 -4,-1.3 4,-1.3 -3,-0.3 -2,-0.2 0.929 112.1 47.2 -58.2 -49.6 -6.7 0.9 2.1 49 51 A V H >X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 3,-0.7 0.960 111.8 50.3 -59.7 -51.0 -4.7 4.0 1.1 50 52 A R H 3X S+ 0 0 80 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.895 108.4 52.0 -54.0 -44.7 -2.7 3.9 4.4 51 53 A A H 3< S+ 0 0 15 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.783 112.6 45.8 -60.7 -29.9 -1.8 0.2 3.9 52 54 A A H X< S+ 0 0 0 -4,-1.3 3,-1.4 -3,-0.7 -2,-0.2 0.908 109.8 54.9 -80.7 -42.5 -0.5 0.9 0.4 53 55 A K H 3< S+ 0 0 97 -4,-2.8 5,-0.4 1,-0.3 -2,-0.2 0.826 99.2 61.7 -54.7 -37.3 1.4 4.0 1.6 54 56 A R T 3< S+ 0 0 174 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.635 75.6 104.0 -76.2 -11.1 3.3 1.9 4.2 55 57 A V S X S- 0 0 10 -3,-1.4 3,-1.9 -4,-0.3 -24,-0.1 -0.598 91.2-102.5 -67.4 117.0 4.9 -0.3 1.5 56 58 A P T 3 S+ 0 0 98 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.167 98.9 0.1 -53.0 129.8 8.5 1.1 1.4 57 59 A G T 3 S+ 0 0 53 1,-0.2 -26,-2.4 -4,-0.1 2,-0.1 0.749 96.2 158.3 62.6 26.8 9.1 3.4 -1.6 58 60 A S E < -b 31 0A 12 -3,-1.9 2,-0.4 -5,-0.4 -26,-0.2 -0.443 36.1-151.3 -73.9 152.9 5.5 3.0 -2.9 59 61 A V E -b 32 0A 0 -28,-2.6 -26,-3.2 -2,-0.1 2,-0.6 -0.996 22.7-136.5-117.4 131.3 3.7 5.3 -5.1 60 62 A V E -b 33 0A 3 -2,-0.4 38,-1.7 35,-0.2 2,-0.6 -0.816 19.1-172.7 -98.9 119.4 -0.0 5.2 -4.5 61 63 A V E -bd 34 98A 0 -28,-3.5 -26,-3.0 -2,-0.6 2,-0.6 -0.946 3.5-171.1-103.2 117.3 -2.5 5.1 -7.4 62 64 A V E -bd 35 99A 1 36,-3.1 38,-2.8 -2,-0.6 2,-0.4 -0.935 9.3-154.8-107.9 122.3 -6.2 5.5 -6.3 63 65 A S E -bd 36 100A 0 -28,-1.7 -26,-1.9 -2,-0.6 2,-0.4 -0.775 7.0-167.9 -93.6 136.0 -8.7 4.8 -9.1 64 66 A I E +b 37 0A 26 36,-2.7 2,-0.3 -2,-0.4 -26,-0.2 -0.968 27.3 141.4-122.2 112.5 -12.2 6.4 -8.9 65 67 A F - 0 0 14 -28,-1.6 2,-1.5 -2,-0.4 -26,-0.1 -0.904 45.5-144.9-158.5 114.3 -14.6 5.0 -11.5 66 68 A V - 0 0 23 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.731 34.0-144.5 -83.8 92.2 -18.3 4.2 -11.1 67 69 A N > - 0 0 2 -2,-1.5 3,-1.3 1,-0.2 4,-0.2 -0.415 13.4-160.7 -69.6 109.7 -18.1 1.2 -13.4 68 70 A P G > S+ 0 0 31 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.809 82.7 68.3 -62.7 -23.0 -21.3 1.0 -15.3 69 71 A M G 3 S+ 0 0 24 1,-0.3 67,-0.3 67,-0.2 68,-0.2 0.711 93.2 57.6 -71.7 -20.5 -20.7 -2.7 -16.2 70 72 A Q G < S+ 0 0 22 -3,-1.3 2,-0.4 66,-0.3 -1,-0.3 0.385 93.6 84.7 -89.6 4.8 -21.2 -4.0 -12.6 71 73 A F S < S- 0 0 39 -3,-1.5 2,-0.3 -4,-0.2 3,-0.1 -0.835 71.1-138.8-108.3 141.5 -24.7 -2.4 -12.4 72 74 A G > - 0 0 40 -2,-0.4 4,-0.5 1,-0.1 5,-0.4 -0.777 40.6 -84.8 -92.9 147.4 -27.9 -4.1 -13.5 73 75 A A T 4 S+ 0 0 110 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.062 94.6 68.8 -49.4 163.2 -30.6 -1.9 -15.3 74 76 A G T 4 S- 0 0 69 1,-0.1 4,-0.3 -3,-0.1 3,-0.2 -0.859 112.8 -51.2 105.4-155.7 -33.0 0.0 -13.2 75 77 A G T > S+ 0 0 43 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.217 99.4 106.9-109.5 17.0 -31.6 2.9 -11.3 76 78 A D H X S+ 0 0 95 -4,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.925 84.0 48.3 -60.9 -47.5 -28.7 1.5 -9.3 77 79 A L H >4 S+ 0 0 52 -5,-0.4 3,-0.9 -3,-0.2 -1,-0.2 0.938 115.7 42.4 -57.5 -52.8 -26.1 3.2 -11.6 78 80 A D H 34 S+ 0 0 139 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.758 113.8 54.2 -65.5 -26.9 -27.7 6.7 -11.4 79 81 A A H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.541 78.9 115.1 -85.5 -16.7 -28.4 6.3 -7.6 80 82 A Y S << S- 0 0 60 -3,-0.9 2,-0.1 -4,-0.9 -40,-0.1 -0.385 78.4-103.6 -56.8 133.4 -24.7 5.5 -6.7 81 83 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.365 36.0-167.4 -65.3 132.0 -23.3 8.3 -4.5 82 84 A R + 0 0 120 -2,-0.1 -43,-0.1 -3,-0.1 -44,-0.0 -0.982 22.4 155.2-122.2 121.2 -21.0 10.7 -6.3 83 85 A T > + 0 0 29 -2,-0.5 4,-2.4 1,-0.1 -42,-0.2 -0.460 6.7 161.6-139.8 62.8 -18.9 13.1 -4.1 84 86 A P H > S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.831 72.9 53.6 -57.4 -40.4 -15.8 13.9 -6.4 85 87 A D H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.916 112.5 42.0 -65.8 -48.6 -14.8 17.1 -4.4 86 88 A D H > S+ 0 0 101 2,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.900 113.1 56.1 -59.7 -44.8 -14.7 15.3 -1.0 87 89 A D H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.951 110.8 41.6 -55.2 -52.0 -12.9 12.3 -2.6 88 90 A L H X S+ 0 0 40 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.894 113.7 53.1 -67.3 -39.4 -10.1 14.3 -4.1 89 91 A A H X S+ 0 0 49 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.918 108.6 50.6 -55.1 -47.2 -9.7 16.4 -0.9 90 92 A Q H X S+ 0 0 53 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.895 108.6 51.8 -61.9 -38.6 -9.4 13.2 1.2 91 93 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 4,-0.3 0.916 109.1 49.0 -67.3 -43.9 -6.7 11.9 -1.1 92 94 A R H ><5S+ 0 0 145 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.931 108.0 55.3 -54.9 -49.0 -4.6 15.1 -0.8 93 95 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.5 48.3 -54.1 -30.9 -5.0 14.9 3.0 94 96 A E T 3<5S- 0 0 39 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.456 116.0-114.1 -92.0 -1.7 -3.6 11.4 2.8 95 97 A G T < 5 + 0 0 34 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.786 53.2 166.9 70.6 29.7 -0.6 12.3 0.6 96 98 A V < - 0 0 2 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.582 22.0-163.8 -70.1 131.7 -1.7 10.3 -2.4 97 99 A E + 0 0 19 -37,-0.5 -87,-3.1 -2,-0.3 2,-0.5 0.744 68.9 44.6 -87.6 -26.6 0.3 11.2 -5.5 98 100 A I E +ad 10 61A 0 -38,-1.7 -36,-3.1 -89,-0.2 2,-0.5 -0.937 51.4 178.7-130.4 119.0 -2.0 9.7 -8.1 99 101 A A E -ad 11 62A 0 -89,-2.9 -87,-2.6 -2,-0.5 2,-0.7 -0.958 15.8-157.5-107.2 128.3 -5.7 9.7 -8.7 100 102 A F E +ad 12 63A 0 -38,-2.8 -36,-2.7 -2,-0.5 -87,-0.2 -0.904 17.1 171.4-107.1 113.2 -6.9 7.9 -11.8 101 103 A T - 0 0 37 -89,-3.1 -36,-0.1 -2,-0.7 -38,-0.1 -0.627 11.9-177.4-124.6 71.0 -10.3 9.2 -12.9 102 104 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.252 23.3-119.9 -71.2 152.8 -11.1 7.6 -16.3 103 105 A T > - 0 0 80 -90,-0.5 4,-1.9 1,-0.1 5,-0.2 -0.532 22.1-115.5 -80.7 161.0 -14.3 8.4 -18.3 104 106 A T H > S+ 0 0 75 1,-0.2 4,-3.2 2,-0.2 -1,-0.1 0.923 118.6 53.2 -59.9 -41.6 -16.8 5.7 -19.4 105 107 A A H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.848 108.6 48.3 -63.5 -36.2 -15.9 6.4 -23.0 106 108 A A H 4 S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.847 118.7 40.8 -72.8 -33.4 -12.1 5.9 -22.3 107 109 A M H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.850 129.3 26.9 -81.9 -36.2 -12.9 2.6 -20.5 108 110 A Y >< + 0 0 28 -4,-3.2 3,-1.7 -5,-0.2 -1,-0.2 -0.450 65.6 147.9-126.7 57.4 -15.5 1.3 -22.8 109 111 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.775 86.8 36.3 -67.0 -22.4 -14.9 2.7 -26.3 110 112 A D T 3 S- 0 0 86 1,-0.4 -5,-0.1 -3,-0.1 348,-0.0 0.022 107.4-134.5-113.7 26.8 -16.3 -0.5 -27.9 111 113 A G < - 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