==== 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 10-AUG-09 3IME . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.CIULLI,A.W.HUNG,H.L.SILVESTRE,S.WEN,T.L.BLUNDELL,C.ABELL . 555 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.5 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 . 4 0.7 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 . 1 0.2 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 . 43 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 30.5 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 2 0 1 0 0 0 0 3 3 5 0 0 2 0 0 0 1 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 . 3 0 1 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 4 A P 0 0 90 0, 0.0 2,-0.1 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 149.8 -2.4 24.8 18.7 2 5 A A - 0 0 57 2,-0.0 2,-0.4 1,-0.0 18,-0.1 -0.392 360.0-158.5 -70.0 147.8 -4.0 26.6 15.6 3 6 A F - 0 0 45 -2,-0.1 94,-0.1 17,-0.0 5,-0.0 -0.893 4.2-169.1-129.9 106.5 -4.5 24.9 12.3 4 7 A H > - 0 0 105 -2,-0.4 3,-0.8 92,-0.1 -2,-0.0 -0.820 23.0-137.4 -93.4 100.9 -4.8 27.3 9.3 5 8 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.151 80.9 23.5 -63.9 153.5 -6.0 25.2 6.3 6 9 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 88,-0.1 89,-0.1 0.604 113.2 87.5 66.8 15.7 -4.7 25.6 2.8 7 10 A E S < S- 0 0 117 -3,-0.8 2,-0.6 89,-0.1 -1,-0.3 -0.914 90.4 -94.7-136.2 159.1 -1.5 27.0 4.4 8 11 A L - 0 0 21 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.714 36.1-163.8 -82.4 119.0 1.7 25.6 5.8 9 12 A N E -a 97 0A 10 87,-3.2 89,-2.6 -2,-0.6 2,-0.6 -0.928 5.7-155.6 -99.7 121.5 1.4 25.1 9.5 10 13 A V E +a 98 0A 66 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.897 14.6 178.2-107.1 114.4 4.8 24.7 11.2 11 14 A Y E +a 99 0A 15 87,-2.6 89,-2.4 -2,-0.6 -2,-0.0 -0.965 16.6 177.4-115.2 139.1 4.9 22.7 14.6 12 15 A S + 0 0 60 -2,-0.4 90,-0.5 87,-0.2 -1,-0.1 0.599 61.1 81.5-105.5 -26.7 8.0 21.9 16.6 13 16 A A > - 0 0 37 1,-0.1 4,-1.9 88,-0.1 5,-0.3 -0.740 69.6-143.2 -89.6 131.7 6.4 20.2 19.6 14 17 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.891 104.7 56.0 -54.6 -40.5 5.5 16.6 19.4 15 18 A G H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.894 107.3 49.4 -59.5 -42.0 2.4 17.4 21.5 16 19 A D H > S+ 0 0 63 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.901 114.1 41.6 -68.4 -51.7 1.3 20.1 19.1 17 20 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.848 114.1 54.7 -61.6 -35.7 1.6 17.9 15.9 18 21 A A H X S+ 0 0 31 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.906 110.1 46.4 -64.3 -41.7 0.0 15.0 17.8 19 22 A D H X S+ 0 0 89 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.952 115.2 44.3 -65.7 -49.1 -3.0 17.1 18.8 20 23 A V H X S+ 0 0 11 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.927 113.0 52.8 -60.2 -48.1 -3.6 18.6 15.3 21 24 A S H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.897 112.0 44.5 -47.4 -51.8 -3.1 15.1 13.6 22 25 A R H X S+ 0 0 123 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.905 112.3 51.8 -66.8 -44.2 -5.7 13.5 15.9 23 26 A A H < S+ 0 0 46 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.946 110.0 49.6 -61.2 -45.2 -8.1 16.3 15.5 24 27 A L H ><>S+ 0 0 12 -4,-2.9 5,-1.7 1,-0.2 3,-0.7 0.809 109.2 51.9 -64.9 -30.6 -7.9 16.1 11.7 25 28 A R H ><5S+ 0 0 76 -4,-1.5 3,-2.1 1,-0.2 -1,-0.2 0.943 104.7 54.4 -73.3 -45.0 -8.4 12.4 11.7 26 29 A L T 3<5S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.481 105.6 57.1 -63.8 -3.8 -11.6 12.7 13.8 27 30 A T T < 5S- 0 0 95 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.173 123.9-102.2-108.9 10.7 -12.8 15.2 11.1 28 31 A G T < 5S+ 0 0 62 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.259 77.5 134.7 92.6 -12.8 -12.4 12.6 8.3 29 32 A R < - 0 0 66 -5,-1.7 2,-0.6 1,-0.1 -1,-0.3 -0.434 54.5-126.5 -73.4 146.6 -9.2 13.9 6.8 30 33 A R E -b 57 0A 82 26,-2.0 28,-2.3 24,-0.1 2,-0.6 -0.866 19.7-133.3-100.8 117.8 -6.6 11.2 6.0 31 34 A V E -b 58 0A 1 -2,-0.6 119,-2.2 26,-0.2 120,-1.2 -0.521 20.7-169.6 -81.7 113.9 -3.2 11.8 7.5 32 35 A M E -bc 59 151A 0 26,-3.0 28,-3.1 -2,-0.6 2,-0.4 -0.827 4.6-159.4 -97.8 136.1 -0.3 11.4 5.1 33 36 A L E -bc 60 152A 0 118,-2.3 120,-2.7 -2,-0.4 28,-0.2 -0.971 14.4-179.9-122.0 129.9 3.3 11.3 6.5 34 37 A V E -b 61 0A 1 26,-2.7 28,-2.1 -2,-0.4 2,-0.5 -0.923 17.8-155.3-122.4 96.4 6.6 11.9 4.6 35 38 A P E +b 62 0A 21 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.659 25.1 167.1 -74.3 119.7 9.6 11.6 7.0 36 39 A T E -b 63 0A 12 26,-2.2 28,-2.0 -2,-0.5 3,-0.1 -0.892 45.0-140.7-127.5 165.3 12.5 13.6 5.6 37 40 A M - 0 0 36 1,-0.4 26,-0.1 -2,-0.3 28,-0.1 0.024 57.7-115.8-102.3 20.7 15.9 14.9 6.9 38 41 A G S S+ 0 0 1 24,-0.4 -1,-0.4 1,-0.1 3,-0.1 -0.332 84.0 107.6 70.3-157.5 15.4 18.2 5.0 39 42 A A - 0 0 1 1,-0.1 5,-0.1 -3,-0.1 -1,-0.1 0.945 66.7-157.9 44.4 52.6 17.5 19.5 2.1 40 43 A L + 0 0 11 42,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.262 22.0 169.4 -64.5 144.5 14.5 18.7 -0.0 41 44 A H >> - 0 0 36 -3,-0.1 3,-1.6 151,-0.1 4,-1.5 -0.830 57.3 -72.5-140.5 178.0 15.0 18.2 -3.8 42 45 A E H 3> S+ 0 0 78 1,-0.3 4,-1.8 -2,-0.3 5,-0.1 0.727 127.2 63.6 -55.4 -26.5 12.6 16.9 -6.5 43 46 A G H 3> S+ 0 0 17 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.861 105.5 44.9 -61.8 -38.8 12.9 13.3 -5.1 44 47 A H H <> S+ 0 0 31 -3,-1.6 4,-1.7 2,-0.2 3,-0.2 0.893 109.2 58.1 -67.5 -40.1 11.3 14.4 -1.8 45 48 A L H X S+ 0 0 8 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.832 98.8 56.7 -59.3 -36.6 8.7 16.3 -3.9 46 49 A A H X S+ 0 0 22 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.908 106.7 52.1 -61.1 -39.5 7.5 13.2 -5.7 47 50 A L H X S+ 0 0 12 -4,-1.0 4,-1.5 -3,-0.2 -2,-0.2 0.897 109.3 48.4 -59.3 -47.5 6.8 11.7 -2.2 48 51 A V H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.920 110.3 52.4 -58.8 -48.0 4.7 14.8 -1.3 49 52 A R H X S+ 0 0 83 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.848 106.4 52.0 -58.9 -39.1 2.7 14.6 -4.6 50 53 A A H < S+ 0 0 19 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.849 113.9 44.0 -61.5 -40.3 1.9 10.9 -4.0 51 54 A A H >< S+ 0 0 0 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.866 110.1 57.0 -73.2 -37.1 0.5 11.7 -0.7 52 55 A K H 3< S+ 0 0 92 -4,-2.6 5,-0.2 1,-0.2 -2,-0.2 0.824 102.3 56.0 -61.1 -33.1 -1.2 14.8 -2.1 53 56 A R T 3< S+ 0 0 154 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.555 78.1 104.4 -88.1 -3.0 -3.1 12.7 -4.6 54 57 A V S X S- 0 0 1 -3,-1.1 3,-1.9 -4,-0.3 -24,-0.1 -0.691 87.7-106.1 -75.4 115.3 -4.6 10.4 -1.9 55 58 A P T 3 S+ 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.165 100.2 8.9 -51.2 121.1 -8.3 11.6 -1.7 56 59 A G T 3 S+ 0 0 47 1,-0.2 -26,-2.0 -4,-0.2 -3,-0.1 0.482 94.7 161.5 89.2 5.0 -9.0 13.7 1.5 57 60 A S E < -b 30 0A 15 -3,-1.9 2,-0.4 -5,-0.2 -1,-0.2 -0.165 32.5-166.4 -63.8 144.3 -5.3 13.8 2.5 58 61 A V E -b 31 0A 0 -28,-2.3 -26,-3.0 37,-0.0 2,-0.5 -0.986 27.0-138.5-121.2 127.1 -3.7 16.2 4.9 59 62 A V E -b 32 0A 1 -2,-0.4 38,-1.8 35,-0.2 2,-0.5 -0.775 17.4-168.8 -95.6 126.8 0.1 16.0 4.3 60 63 A V E -bd 33 97A 1 -28,-3.1 -26,-2.7 -2,-0.5 2,-0.5 -0.951 3.7-173.0-106.5 121.1 2.7 16.0 7.2 61 64 A V E -bd 34 98A 0 36,-2.2 38,-2.5 -2,-0.5 2,-0.4 -0.975 10.7-156.9-107.4 126.4 6.3 16.4 6.1 62 65 A S E -bd 35 99A 1 -28,-2.1 -26,-2.2 -2,-0.5 2,-0.5 -0.871 6.2-163.1-102.5 145.3 8.7 16.0 9.0 63 66 A I E +b 36 0A 26 36,-2.7 2,-0.4 -2,-0.4 -26,-0.2 -0.919 28.5 142.4-125.7 106.3 12.2 17.5 8.9 64 67 A F - 0 0 14 -28,-2.0 2,-0.8 -2,-0.5 -26,-0.1 -0.952 40.3-150.5-150.1 117.8 14.6 16.0 11.5 65 68 A V - 0 0 23 -2,-0.4 -28,-0.1 -28,-0.1 -2,-0.0 -0.859 31.4-146.4 -88.1 109.7 18.3 15.2 11.1 66 69 A N >> - 0 0 1 -2,-0.8 3,-1.5 1,-0.1 4,-0.6 -0.708 14.7-159.1 -91.2 109.9 18.4 12.4 13.5 67 70 A P T 34 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.552 85.9 68.6 -71.5 4.3 21.6 12.1 15.4 68 71 A M T 34 S+ 0 0 24 67,-0.2 67,-0.3 1,-0.2 68,-0.2 0.738 95.0 51.2 -87.5 -24.5 21.0 8.4 16.1 69 72 A Q T <4 S+ 0 0 17 -3,-1.5 2,-0.2 66,-0.3 -1,-0.2 0.607 101.7 74.0 -90.1 -12.7 21.4 7.1 12.5 70 73 A F < - 0 0 28 -4,-0.6 2,-0.3 65,-0.1 3,-0.0 -0.632 67.5-160.5 -91.1 155.1 24.8 8.8 12.1 71 74 A G > - 0 0 31 -2,-0.2 4,-1.0 1,-0.1 5,-0.3 -0.890 30.7 -39.5-131.9 164.5 28.0 7.6 13.8 72 75 A A T 4 S+ 0 0 97 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 -0.165 98.8 12.6 -55.9 154.9 31.4 9.1 14.7 73 76 A G T 4 S- 0 0 83 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 -0.639 116.7 -3.4 -54.8 -64.8 33.4 11.0 13.5 74 77 A G T 4 S+ 0 0 47 -2,-0.2 4,-0.4 -3,-0.2 -2,-0.2 -0.107 82.0 75.4 176.7 -90.5 31.8 12.1 11.3 75 78 A D S X S+ 0 0 51 -4,-1.0 4,-0.7 1,-0.2 -3,-0.1 0.644 88.6 73.8 -81.0 -19.6 28.7 12.5 9.0 76 79 A L T >4 S+ 0 0 58 -5,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.935 98.1 41.9 -65.8 -54.9 26.4 14.4 11.5 77 80 A D T 34 S+ 0 0 159 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.742 114.7 56.3 -61.5 -25.7 27.9 17.9 11.4 78 81 A A T 34 S+ 0 0 65 -4,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.551 74.9 117.0 -86.4 -13.4 28.3 17.5 7.5 79 82 A Y S << S- 0 0 20 -3,-0.9 2,-0.1 -4,-0.7 -40,-0.1 -0.364 75.6-107.5 -58.5 130.0 24.6 16.8 6.7 80 83 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.381 35.6-162.1 -64.9 134.9 23.2 19.6 4.4 81 84 A R + 0 0 127 -2,-0.1 -43,-0.1 -43,-0.1 -2,-0.0 -0.951 26.3 149.9-122.3 119.4 20.8 21.9 6.2 82 85 A T > + 0 0 31 -2,-0.5 4,-3.0 1,-0.1 -42,-0.2 -0.230 3.1 154.9-143.9 56.4 18.3 24.2 4.3 83 86 A P H > S+ 0 0 72 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.796 74.7 58.9 -56.6 -40.3 15.1 24.9 6.3 84 87 A D H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.988 114.9 36.3 -45.0 -71.8 14.3 28.2 4.6 85 88 A D H > S+ 0 0 105 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.930 115.1 56.9 -44.7 -55.2 14.3 26.5 1.2 86 89 A D H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.917 109.1 44.6 -50.1 -54.9 12.7 23.4 2.5 87 90 A L H X S+ 0 0 35 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.882 112.3 52.5 -57.9 -43.8 9.6 25.3 4.0 88 91 A A H X S+ 0 0 50 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.913 107.8 51.1 -55.7 -51.0 9.2 27.3 0.8 89 92 A Q H X S+ 0 0 51 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.861 110.6 50.4 -53.9 -38.1 9.2 24.2 -1.4 90 93 A L H X>S+ 0 0 0 -4,-1.9 5,-2.3 -5,-0.3 4,-0.8 0.887 109.3 48.5 -71.1 -41.9 6.5 22.9 1.0 91 94 A R H ><5S+ 0 0 143 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.909 111.3 52.7 -56.1 -44.9 4.3 26.0 0.7 92 95 A A H 3<5S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.644 109.0 49.3 -66.4 -20.6 4.8 25.8 -3.1 93 96 A E H 3<5S- 0 0 44 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.596 113.9-117.2 -94.9 -12.6 3.6 22.2 -2.9 94 97 A G T <<5 + 0 0 35 -3,-0.8 2,-0.3 -4,-0.8 -35,-0.2 0.818 54.8 162.2 79.2 34.0 0.5 23.1 -0.8 95 98 A V < - 0 0 1 -5,-2.3 -1,-0.3 1,-0.1 -35,-0.1 -0.681 25.3-161.4 -82.2 138.6 1.6 21.0 2.2 96 99 A E + 0 0 20 -37,-0.5 -87,-3.2 -2,-0.3 2,-0.4 0.720 66.2 46.4 -98.5 -24.2 -0.3 21.9 5.3 97 100 A I E -ad 9 60A 0 -38,-1.8 -36,-2.2 -89,-0.2 2,-0.4 -0.986 51.3-179.2-127.3 125.9 1.8 20.5 8.1 98 101 A A E -ad 10 61A 0 -89,-2.6 -87,-2.6 -2,-0.4 2,-0.7 -0.996 12.8-160.2-115.2 127.9 5.6 20.7 8.6 99 102 A F E +ad 11 62A 0 -38,-2.5 -36,-2.7 -2,-0.4 -87,-0.2 -0.925 16.5 170.0-110.4 107.9 6.9 18.9 11.8 100 103 A T - 0 0 37 -89,-2.4 -36,-0.1 -2,-0.7 2,-0.1 -0.772 13.4-175.3-120.2 81.3 10.3 20.2 12.8 101 104 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.418 23.2-117.9 -71.9 157.5 11.2 18.8 16.3 102 105 A T > - 0 0 77 -90,-0.5 4,-1.6 -2,-0.1 5,-0.2 -0.531 24.0-116.3 -83.2 155.9 14.3 19.6 18.4 103 106 A T H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 3,-0.2 0.918 118.0 54.6 -55.2 -44.5 16.8 16.9 19.4 104 107 A A H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.843 106.9 48.7 -58.0 -41.0 15.8 17.6 23.0 105 108 A A H 4 S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.830 118.5 39.9 -73.4 -30.0 12.2 17.0 22.3 106 109 A M H < S+ 0 0 2 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.802 128.9 29.7 -83.9 -32.4 12.9 13.7 20.5 107 110 A Y >< + 0 0 33 -4,-2.9 3,-1.0 -5,-0.2 -1,-0.2 -0.443 65.5 145.5-129.3 55.5 15.6 12.5 22.8 108 111 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.720 85.7 36.8 -62.3 -24.3 14.9 13.9 26.3 109 112 A D T 3 S- 0 0 84 1,-0.5 2,-0.1 -3,-0.1 -5,-0.1 0.237 108.3-131.0-115.3 15.0 16.2 10.7 27.9 110 113 A G < - 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