==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-JAN-10 3LE8 . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.L.SILVESTRE,A.W.HUNG,P.SLEDZ,A.CIULLI,T.L.BLUNDELL,C.ABELL . 565 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 68.3 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 . 51 9.0 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 . 1 0.2 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 . 39 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 29.7 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 1 0 0 0 2 2 0 7 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 . 2 0 1 0 0 0 0 2 0 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 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 3 A I 0 0 125 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 109.2 -4.8 21.9 19.5 2 4 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 10,-0.0 -0.253 360.0 -58.8 -79.4-170.3 -2.5 24.9 18.6 3 5 A A - 0 0 60 -2,-0.1 2,-0.4 2,-0.0 18,-0.1 -0.528 52.1-168.4 -71.2 140.2 -3.7 27.0 15.6 4 6 A F - 0 0 36 -2,-0.2 94,-0.1 -3,-0.1 5,-0.0 -0.925 1.3-167.7-129.4 111.1 -4.1 25.2 12.3 5 7 A H > - 0 0 101 -2,-0.4 3,-1.3 92,-0.2 -2,-0.0 -0.862 18.1-139.0-100.4 104.8 -4.6 27.4 9.3 6 8 A P T 3 S+ 0 0 83 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.130 85.7 23.9 -58.3 150.2 -5.8 25.4 6.2 7 9 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 88,-0.2 89,-0.1 0.658 112.0 89.3 58.3 12.6 -4.3 26.2 2.9 8 10 A E S < S- 0 0 115 -3,-1.3 2,-0.7 89,-0.1 -1,-0.2 -0.894 88.0-102.6-124.7 166.2 -1.3 27.6 4.7 9 11 A L - 0 0 27 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.840 35.8-165.7 -86.9 116.7 2.0 26.0 5.8 10 12 A N E -a 98 0A 13 87,-2.0 89,-2.8 -2,-0.7 2,-0.5 -0.918 2.9-159.1-103.5 126.1 1.8 25.4 9.6 11 13 A V E -a 99 0A 63 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.926 10.8-179.0-114.3 125.8 5.2 24.6 11.3 12 14 A Y E +a 100 0A 15 87,-2.3 89,-2.4 -2,-0.5 -2,-0.0 -0.981 15.7 179.2-125.1 131.4 5.2 22.9 14.7 13 15 A S + 0 0 59 -2,-0.4 90,-0.5 87,-0.2 -1,-0.1 0.691 63.1 81.7-100.3 -25.7 8.3 22.0 16.6 14 16 A A S > S- 0 0 41 1,-0.1 4,-1.7 88,-0.1 3,-0.4 -0.636 71.5-143.4 -84.0 130.0 6.8 20.4 19.7 15 17 A P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.909 101.7 56.6 -58.5 -39.0 5.7 16.7 19.2 16 18 A G H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.833 105.6 52.4 -56.4 -37.5 2.6 17.3 21.4 17 19 A D H > S+ 0 0 65 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.949 112.6 41.1 -67.1 -49.8 1.4 20.1 19.1 18 20 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.893 114.2 54.2 -68.3 -30.3 1.7 18.1 15.9 19 21 A A H X S+ 0 0 14 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.947 110.2 46.9 -65.3 -45.9 0.2 15.1 17.6 20 22 A D H X S+ 0 0 82 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.935 114.6 45.8 -62.7 -43.9 -2.8 17.2 18.8 21 23 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.883 112.7 50.9 -63.8 -44.5 -3.4 18.7 15.3 22 24 A S H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.899 112.6 44.8 -63.8 -42.1 -3.0 15.4 13.6 23 25 A R H X S+ 0 0 58 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.965 112.2 53.1 -66.0 -48.3 -5.6 13.7 15.8 24 26 A A H X S+ 0 0 36 -4,-2.8 4,-0.7 -5,-0.2 -2,-0.2 0.927 112.3 45.5 -52.4 -49.3 -7.9 16.7 15.5 25 27 A L H ><>S+ 0 0 16 -4,-2.8 5,-2.0 1,-0.2 3,-1.2 0.911 109.7 52.3 -62.2 -45.6 -7.8 16.4 11.7 26 28 A R H ><5S+ 0 0 111 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.888 106.7 55.7 -60.5 -34.7 -8.2 12.7 11.5 27 29 A L H 3<5S+ 0 0 135 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.609 103.6 53.7 -74.8 -13.4 -11.3 13.0 13.7 28 30 A T T <<5S- 0 0 112 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.188 129.7 -94.4-100.1 15.9 -12.9 15.5 11.3 29 31 A G T < 5S+ 0 0 60 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.392 80.4 133.6 95.0 -3.6 -12.4 13.0 8.4 30 32 A R < - 0 0 63 -5,-2.0 2,-0.5 28,-0.0 -1,-0.3 -0.575 52.5-131.9 -82.8 138.9 -9.0 14.1 6.9 31 33 A R E -b 58 0A 80 26,-1.4 28,-2.6 -2,-0.3 2,-0.5 -0.795 20.9-134.2 -92.5 131.9 -6.5 11.3 6.2 32 34 A V E -b 59 0A 0 -2,-0.5 119,-2.5 117,-0.2 120,-1.3 -0.731 19.0-166.7 -93.6 128.2 -3.1 12.1 7.5 33 35 A M E -bc 60 152A 0 26,-2.7 28,-3.7 -2,-0.5 2,-0.5 -0.918 4.8-157.2-112.6 132.5 -0.1 11.5 5.2 34 36 A L E -bc 61 153A 1 118,-2.3 120,-2.6 -2,-0.5 28,-0.2 -0.952 12.2-176.7-113.9 132.4 3.4 11.5 6.6 35 37 A V E -b 62 0A 0 26,-2.4 28,-1.8 -2,-0.5 2,-0.3 -0.930 18.2-155.4-119.7 99.9 6.5 12.2 4.5 36 38 A P E +b 63 0A 2 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.605 21.6 169.3 -82.1 139.9 9.6 11.8 6.7 37 39 A T E -b 64 0A 3 26,-1.2 28,-1.7 -2,-0.3 3,-0.1 -0.971 45.7-139.3-143.9 165.2 12.7 13.6 5.6 38 40 A M - 0 0 11 1,-0.5 26,-0.1 -2,-0.3 28,-0.1 -0.016 60.0-117.3-104.9 15.7 16.2 14.7 6.7 39 41 A G S S+ 0 0 2 24,-0.4 -1,-0.5 1,-0.1 3,-0.1 -0.242 84.1 107.3 73.4-163.2 15.7 18.1 5.1 40 42 A A S S- 0 0 0 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.966 70.2-150.2 50.4 58.7 17.8 19.4 2.2 41 43 A L + 0 0 12 42,-0.2 2,-0.2 3,-0.1 -1,-0.1 -0.231 25.1 172.3 -72.1 136.9 14.7 18.8 0.0 42 44 A H > - 0 0 38 -3,-0.1 4,-1.9 526,-0.1 3,-0.4 -0.739 52.5 -80.1-128.5-176.3 15.1 17.9 -3.6 43 45 A E H > S+ 0 0 96 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.737 125.8 62.2 -61.8 -25.1 12.6 16.8 -6.4 44 46 A G H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.947 105.9 45.3 -67.7 -45.0 12.7 13.2 -5.0 45 47 A H H > S+ 0 0 1 -3,-0.4 4,-2.1 2,-0.2 3,-0.3 0.889 109.6 55.3 -57.0 -40.8 11.2 14.5 -1.8 46 48 A L H X S+ 0 0 6 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.879 102.3 57.8 -68.7 -27.7 8.7 16.6 -3.8 47 49 A A H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.881 106.4 48.9 -62.3 -37.7 7.6 13.4 -5.5 48 50 A L H X S+ 0 0 2 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.924 111.7 48.6 -66.4 -43.3 6.8 11.9 -2.1 49 51 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.929 111.1 50.2 -62.7 -44.8 4.8 15.0 -1.2 50 52 A R H X S+ 0 0 77 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.897 109.5 51.1 -56.7 -43.0 2.9 14.9 -4.5 51 53 A A H < S+ 0 0 11 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.879 112.2 47.7 -62.4 -44.8 2.1 11.2 -4.0 52 54 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.877 109.7 51.3 -62.8 -41.3 0.8 12.0 -0.6 53 55 A K H 3< S+ 0 0 90 -4,-2.4 5,-0.3 1,-0.2 -2,-0.2 0.795 99.6 66.0 -69.6 -26.3 -1.3 15.0 -1.8 54 56 A R T 3< S+ 0 0 177 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.697 76.4 101.2 -70.5 -15.3 -2.9 12.9 -4.4 55 57 A V S X S- 0 0 7 -3,-1.1 3,-2.1 -4,-0.5 -24,-0.1 -0.557 88.7-106.6 -71.2 118.8 -4.7 10.7 -1.7 56 58 A P T 3 S+ 0 0 101 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.146 99.3 6.3 -47.8 128.9 -8.3 12.0 -1.5 57 59 A G T 3 S+ 0 0 52 1,-0.2 -26,-1.4 -4,-0.1 -3,-0.1 0.582 96.5 160.1 77.8 7.5 -9.0 14.1 1.5 58 60 A S E < -b 31 0A 17 -3,-2.1 2,-0.4 -5,-0.3 -1,-0.2 -0.182 35.1-161.8 -62.8 150.1 -5.4 14.0 2.6 59 61 A V E -b 32 0A 0 -28,-2.6 -26,-2.7 -7,-0.0 2,-0.5 -0.990 24.7-140.5-117.9 135.6 -3.6 16.4 4.9 60 62 A V E -b 33 0A 5 -2,-0.4 38,-1.4 -28,-0.2 2,-0.5 -0.845 15.8-169.5-104.5 126.7 0.2 16.1 4.3 61 63 A V E -bd 34 98A 0 -28,-3.7 -26,-2.4 -2,-0.5 2,-0.5 -0.965 4.4-168.0-111.0 125.8 2.6 16.2 7.2 62 64 A V E -bd 35 99A 1 36,-2.8 38,-2.4 -2,-0.5 2,-0.3 -0.956 7.4-154.4-112.4 123.6 6.3 16.6 6.2 63 65 A S E -bd 36 100A 0 -28,-1.8 -26,-1.2 -2,-0.5 2,-0.5 -0.760 7.0-168.0 -98.4 144.1 8.9 16.0 9.0 64 66 A I E +b 37 0A 27 36,-2.7 2,-0.3 -2,-0.3 -26,-0.2 -0.959 28.3 137.0-130.0 113.8 12.3 17.5 8.9 65 67 A F - 0 0 16 -28,-1.7 2,-1.0 -2,-0.5 -26,-0.1 -0.896 45.5-143.3-162.1 124.3 14.8 16.1 11.4 66 68 A V - 0 0 22 -2,-0.3 -28,-0.1 -28,-0.1 3,-0.1 -0.772 32.1-141.9 -92.9 107.7 18.4 15.2 11.0 67 69 A N > - 0 0 2 -2,-1.0 3,-1.3 1,-0.2 4,-0.1 -0.562 14.6-163.0 -83.7 111.9 18.4 12.2 13.3 68 70 A P G > S+ 0 0 36 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.825 82.2 68.2 -61.8 -23.4 21.6 12.0 15.3 69 71 A M G 3 S+ 0 0 26 1,-0.3 67,-0.3 67,-0.2 68,-0.2 0.676 94.9 52.1 -73.3 -18.7 21.1 8.3 16.2 70 72 A Q G < S+ 0 0 14 -3,-1.3 2,-0.4 66,-0.3 -1,-0.3 0.254 94.7 89.0 -97.3 6.7 21.5 6.9 12.7 71 73 A F < + 0 0 42 -3,-1.7 59,-0.0 -4,-0.1 0, 0.0 -0.892 48.3 176.1-102.9 142.8 24.9 8.7 12.2 72 74 A G + 0 0 57 -2,-0.4 5,-0.3 58,-0.0 -1,-0.1 0.471 40.2 50.7-103.3-111.3 28.2 7.1 13.2 73 75 A A S S- 0 0 70 3,-0.1 2,-0.0 2,-0.1 -2,-0.0 0.123 85.8 -59.8 45.1-163.9 31.5 8.8 12.5 74 76 A G S S- 0 0 72 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.627 107.6 -8.1 115.1-164.6 33.0 11.2 12.7 75 77 A G S > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.1 5,-0.1 0.209 95.3 106.7-107.7 17.4 31.8 14.4 11.1 76 78 A D H > S+ 0 0 93 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.884 80.7 47.3 -62.9 -44.5 29.0 12.8 9.2 77 79 A L H >4 S+ 0 0 50 -5,-0.3 3,-0.5 -3,-0.2 -1,-0.2 0.919 116.3 43.2 -63.5 -45.9 26.3 14.3 11.5 78 80 A D H 34 S+ 0 0 141 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.3 55.1 -71.5 -25.0 27.8 17.8 11.4 79 81 A A H 3< S+ 0 0 58 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.611 76.9 113.4 -80.0 -20.2 28.4 17.4 7.5 80 82 A Y S << S- 0 0 29 -4,-1.1 -40,-0.1 -3,-0.5 -14,-0.0 -0.356 79.5-103.3 -60.0 135.2 24.8 16.6 6.6 81 83 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.291 35.6-169.2 -62.4 131.9 23.3 19.5 4.5 82 84 A R + 0 0 120 -3,-0.1 -43,-0.1 -43,-0.1 3,-0.1 -0.991 21.5 155.7-122.8 118.7 21.0 21.7 6.4 83 85 A T > + 0 0 36 -2,-0.5 4,-2.5 1,-0.1 -42,-0.2 -0.504 7.1 163.1-137.7 61.4 18.9 24.2 4.2 84 86 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.812 72.8 52.1 -54.8 -34.8 15.9 24.9 6.4 85 87 A D H > S+ 0 0 142 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.930 111.4 42.9 -77.3 -46.7 14.9 28.1 4.5 86 88 A D H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 112.7 58.9 -62.3 -37.8 14.9 26.5 1.0 87 89 A D H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.954 108.2 40.7 -59.3 -54.2 13.1 23.5 2.6 88 90 A L H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.848 112.9 56.6 -62.0 -33.8 10.0 25.3 4.0 89 91 A A H X S+ 0 0 49 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.947 107.6 48.5 -62.2 -45.9 9.8 27.5 0.8 90 92 A Q H X S+ 0 0 53 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.891 110.4 51.0 -57.6 -41.5 9.6 24.3 -1.3 91 93 A L H <>S+ 0 0 0 -4,-1.8 5,-1.8 1,-0.2 4,-0.4 0.876 109.3 50.4 -70.0 -38.5 6.8 22.9 1.0 92 94 A R H ><5S+ 0 0 145 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.931 108.6 52.1 -63.5 -43.1 4.8 26.2 0.8 93 95 A A H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 109.0 52.1 -61.6 -24.1 5.1 26.0 -3.1 94 96 A E T 3<5S- 0 0 42 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.508 114.6-116.5 -92.0 -1.7 3.8 22.4 -2.9 95 97 A G T < 5 + 0 0 34 -3,-1.5 -35,-0.2 -4,-0.4 -3,-0.2 0.629 54.7 163.5 74.2 14.6 0.7 23.3 -0.8 96 98 A V < - 0 0 4 -5,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.408 24.0-162.5 -59.4 136.8 1.8 21.3 2.2 97 99 A E + 0 0 24 -37,-0.5 -87,-2.0 1,-0.2 2,-0.4 0.650 67.0 43.0 -99.8 -21.5 -0.1 22.3 5.3 98 100 A I E +ad 10 61A 0 -38,-1.4 -36,-2.8 -89,-0.2 2,-0.4 -0.977 51.9 179.6-131.4 126.3 2.0 20.8 8.1 99 101 A A E -ad 11 62A 0 -89,-2.8 -87,-2.3 -2,-0.4 2,-0.6 -0.986 14.9-157.3-112.9 135.3 5.8 20.8 8.6 100 102 A F E +ad 12 63A 0 -38,-2.4 -36,-2.7 -2,-0.4 -87,-0.2 -0.956 16.1 173.6-114.4 117.0 7.0 19.1 11.8 101 103 A T - 0 0 35 -89,-2.4 -36,-0.1 -2,-0.6 -38,-0.1 -0.638 12.4-174.2-128.0 74.7 10.5 20.3 12.8 102 104 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.283 21.4-121.6 -74.7 157.0 11.4 18.9 16.1 103 105 A T > - 0 0 78 -90,-0.5 4,-1.6 1,-0.1 3,-0.3 -0.567 25.2-115.2 -85.1 162.4 14.5 19.7 18.2 104 106 A T H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.896 118.0 54.8 -62.0 -40.3 16.9 16.9 19.2 105 107 A A H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.820 105.7 50.7 -62.0 -34.9 15.9 17.6 22.8 106 108 A A H 4 S+ 0 0 34 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.815 117.7 40.2 -73.2 -31.8 12.2 17.1 22.1 107 109 A M H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.797 130.2 24.8 -83.7 -34.2 13.0 13.7 20.4 108 110 A Y >< + 0 0 31 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 -0.464 66.0 149.9-130.9 56.0 15.6 12.4 22.7 109 111 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.769 85.7 38.1 -67.3 -18.6 15.0 14.0 26.1 110 112 A D T 3 S- 0 0 88 1,-0.4 -5,-0.1 -3,-0.1 -2,-0.0 0.215 110.3-129.2-109.8 16.5 16.4 10.9 27.8 111 113 A G < - 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