==== 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 TRANSFERASE 19-JUL-07 2QNY . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.SACHDEVA,F.MUSAYEV,M.ALHAMADSHEH,J.N.SCARSDALE,H.T.WRIGHT, . 659 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 14.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.5 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 . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 0 2 0 3 1 1 2 1 0 1 1 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 4 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 . 2 0 3 4 0 0 0 6 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 . 4 0 0 0 2 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 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 -9 A T 0 0 82 0, 0.0 2,-0.4 0, 0.0 574,-0.1 0.000 360.0 360.0 360.0 139.5 -9.5 25.5 17.5 2 -8 A E - 0 0 93 572,-0.1 2,-0.2 1,-0.0 509,-0.1 -0.753 360.0-117.4 -90.2 131.2 -7.2 24.3 20.3 3 -7 A I - 0 0 0 507,-0.7 507,-0.2 -2,-0.4 571,-0.2 -0.501 38.6-119.8 -64.6 128.9 -3.5 25.2 20.0 4 -6 A A - 0 0 36 569,-2.8 2,-0.4 -2,-0.2 -1,-0.1 -0.240 20.9-143.5 -72.6 159.8 -1.6 21.9 19.8 5 -5 A T - 0 0 53 508,-0.1 2,-0.2 569,-0.0 508,-0.1 -0.987 4.7-143.2-126.6 136.4 1.0 20.7 22.3 6 -4 A T - 0 0 52 -2,-0.4 2,-0.3 129,-0.2 131,-0.1 -0.472 13.1-154.2 -85.8 165.3 4.3 18.8 21.7 7 -3 A S - 0 0 90 129,-0.2 128,-0.2 -2,-0.2 2,-0.1 -0.995 12.3-178.9-140.8 145.7 5.6 16.2 24.1 8 -2 A G - 0 0 34 126,-2.4 126,-0.2 -2,-0.3 131,-0.1 -0.398 42.1 -35.6-124.3-159.3 9.2 15.0 24.7 9 -1 A A - 0 0 15 124,-0.7 -1,-0.3 -2,-0.1 127,-0.1 -0.268 37.5-154.5 -62.8 148.1 11.2 12.5 26.7 10 1 A R S S+ 0 0 177 1,-0.2 2,-0.5 166,-0.1 -1,-0.1 0.864 83.8 51.2 -85.5 -49.6 10.1 11.7 30.2 11 2 A S S S+ 0 0 19 165,-0.2 165,-1.5 168,-0.1 2,-0.3 -0.822 70.6 173.4 -97.0 125.0 13.5 10.7 31.5 12 3 A V E +A 175 0A 0 -2,-0.5 168,-2.4 163,-0.3 169,-0.8 -0.950 3.8 161.1-133.0 146.1 16.4 13.1 30.8 13 4 A G E -A 174 0A 2 161,-2.3 161,-1.8 -2,-0.3 2,-0.9 -0.936 46.5 -79.7-155.8 176.0 20.0 13.0 32.0 14 5 A L E -A 173 0A 11 314,-0.4 159,-0.2 166,-0.3 317,-0.2 -0.787 37.4-178.8 -88.4 104.8 23.6 14.2 31.5 15 6 A L E - 0 0 35 157,-2.5 316,-1.3 -2,-0.9 2,-0.3 0.875 62.5 -13.9 -71.9 -37.6 25.0 12.1 28.7 16 7 A S E -A 172 0A 0 156,-0.9 156,-1.8 314,-0.2 2,-0.3 -0.987 49.2-143.9-159.1 160.2 28.5 13.6 28.9 17 8 A V E -A 171 0A 6 314,-2.2 2,-0.4 -2,-0.3 154,-0.2 -0.980 15.4-173.2-128.3 145.8 30.7 16.4 30.1 18 9 A G E -A 170 0A 2 152,-2.4 152,-2.8 -2,-0.3 2,-0.4 -0.996 8.6-159.6-138.6 137.2 33.6 17.9 28.1 19 10 A A E -A 169 0A 20 -2,-0.4 2,-0.5 150,-0.2 150,-0.2 -0.955 12.4-167.4-126.9 136.1 36.1 20.4 29.5 20 11 A Y E -A 168 0A 40 148,-3.2 148,-2.4 -2,-0.4 45,-0.1 -0.983 9.3-177.5-118.6 122.5 38.5 23.0 28.1 21 12 A R - 0 0 54 -2,-0.5 146,-0.1 146,-0.2 30,-0.1 -0.981 32.3-112.7-117.6 123.0 41.1 24.5 30.3 22 13 A P - 0 0 0 0, 0.0 30,-0.1 0, 0.0 29,-0.1 -0.106 24.2-121.4 -51.7 149.3 43.4 27.2 28.9 23 14 A E S S+ 0 0 177 27,-0.1 2,-0.4 2,-0.1 29,-0.1 0.832 83.2 91.0 -66.3 -40.7 47.1 26.3 28.6 24 15 A R E -J 51 0B 139 27,-0.7 27,-1.8 1,-0.0 2,-0.5 -0.450 62.1-155.3 -70.6 118.4 48.7 29.0 30.7 25 16 A V E -J 50 0B 65 -2,-0.4 2,-0.6 25,-0.2 25,-0.2 -0.826 4.6-164.3 -91.7 128.0 49.1 28.1 34.4 26 17 A V E -J 49 0B 2 23,-3.2 23,-1.4 -2,-0.5 2,-0.0 -0.932 11.4-157.3-114.5 105.1 49.2 31.0 36.8 27 18 A T E > -J 48 0B 55 -2,-0.6 4,-2.4 21,-0.2 21,-0.2 -0.279 29.4-109.8 -75.2 163.3 50.5 30.0 40.3 28 19 A N H > S+ 0 0 1 19,-1.5 4,-1.7 1,-0.2 20,-0.1 0.903 121.4 49.6 -56.7 -44.2 49.9 31.9 43.5 29 20 A D H 4 S+ 0 0 102 2,-0.2 -1,-0.2 1,-0.2 7,-0.1 0.878 110.9 49.9 -63.7 -40.0 53.5 33.0 43.6 30 21 A E H 4 S+ 0 0 73 1,-0.2 3,-0.2 3,-0.1 -2,-0.2 0.921 116.2 40.4 -63.6 -46.4 53.3 34.2 40.0 31 22 A I H < S+ 0 0 34 -4,-2.4 2,-0.4 1,-0.2 -1,-0.2 0.712 120.0 46.2 -78.3 -20.9 50.2 36.2 40.6 32 23 A C < 0 0 50 -4,-1.7 -1,-0.2 -5,-0.2 4,-0.2 -0.786 360.0 360.0-131.7 89.4 51.2 37.5 44.0 33 24 A Q 0 0 202 -2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 0.782 360.0 360.0-110.6 360.0 54.8 38.9 44.3 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 28 A S > 0 0 122 0, 0.0 4,-2.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 41.2 54.2 33.8 52.0 36 29 A S H > + 0 0 24 1,-0.2 4,-2.5 -4,-0.2 5,-0.3 0.820 360.0 57.4 -63.4 -35.6 51.7 34.6 49.2 37 30 A D H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 112.5 40.6 -61.7 -46.7 51.2 30.9 48.3 38 31 A E H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.920 113.9 54.3 -65.7 -46.5 50.1 30.0 51.9 39 32 A W H X S+ 0 0 112 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.918 114.6 38.4 -53.8 -52.7 48.1 33.2 52.3 40 33 A I H X>S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.6 0.931 116.6 51.0 -67.3 -48.0 45.9 32.6 49.1 41 34 A Y H X5S+ 0 0 87 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.895 109.5 48.9 -59.4 -45.3 45.6 28.8 49.6 42 35 A T H <5S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.813 117.5 41.4 -67.6 -31.1 44.4 29.0 53.2 43 36 A R H <5S+ 0 0 122 -4,-1.2 217,-0.3 -5,-0.3 -1,-0.2 0.771 135.9 10.9 -84.4 -29.1 41.8 31.6 52.5 44 37 A T H <5S- 0 0 5 -4,-2.1 215,-2.7 2,-0.2 -3,-0.2 0.663 87.6-120.9-125.1 -29.5 40.5 30.2 49.2 45 38 A G << + 0 0 1 -4,-1.8 2,-0.3 -5,-0.6 -4,-0.2 0.379 68.0 134.6 92.4 -1.8 41.8 26.7 48.5 46 39 A I + 0 0 0 -6,-0.5 -1,-0.3 1,-0.2 236,-0.2 -0.640 23.2 162.6 -84.9 133.3 43.4 27.9 45.2 47 40 A K S S- 0 0 76 235,-3.2 -19,-1.5 1,-0.5 2,-0.3 0.696 73.1 -4.6-107.2 -50.0 47.0 26.9 44.4 48 41 A T E -J 27 0B 21 234,-2.2 -1,-0.5 -21,-0.2 237,-0.4 -0.895 60.6-166.6-137.4 165.2 46.9 27.7 40.6 49 42 A R E -J 26 0B 0 -23,-1.4 -23,-3.2 -2,-0.3 2,-0.4 -0.963 23.7-110.5-147.4 165.4 44.4 28.8 38.0 50 43 A R E -J 25 0B 68 234,-0.5 116,-2.5 116,-0.3 2,-0.4 -0.834 20.5-160.9-103.7 135.5 44.3 29.0 34.2 51 44 A F E -J 24 0B 13 -27,-1.8 -27,-0.7 -2,-0.4 2,-0.1 -0.954 19.3-128.9-111.0 132.0 44.4 32.2 32.1 52 45 A A - 0 0 9 -2,-0.4 2,-0.1 1,-0.1 96,-0.0 -0.370 28.9-104.2 -72.2 155.7 43.1 32.2 28.5 53 46 A A > - 0 0 46 1,-0.1 3,-1.4 -2,-0.1 -1,-0.1 -0.303 32.6-104.0 -75.0 165.1 45.3 33.7 25.7 54 47 A D T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.814 121.1 52.3 -60.4 -33.2 44.6 37.1 24.1 55 48 A D T 3 S+ 0 0 143 2,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.464 96.1 89.9 -84.6 -1.8 43.1 35.4 21.0 56 49 A E < + 0 0 31 -3,-1.4 2,-0.3 4,-0.0 3,-0.0 -0.641 53.7 179.7 -94.6 154.2 40.7 33.3 23.0 57 50 A S > - 0 0 51 -2,-0.2 4,-2.2 1,-0.1 5,-0.3 -0.872 46.3 -94.4-141.5 173.4 37.2 34.2 24.1 58 51 A A H > S+ 0 0 2 31,-0.5 4,-2.1 -2,-0.3 5,-0.1 0.927 126.3 47.7 -54.2 -46.6 34.2 32.9 26.0 59 52 A A H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 110.0 50.8 -63.9 -41.9 32.7 31.7 22.7 60 53 A S H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 113.5 44.5 -68.2 -37.9 36.0 30.0 21.5 61 54 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.871 111.0 54.9 -71.5 -38.9 36.4 28.1 24.7 62 55 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.903 106.7 52.0 -57.6 -43.2 32.7 27.2 24.7 63 56 A T H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 110.5 46.3 -60.0 -48.8 33.2 25.7 21.2 64 57 A E H X S+ 0 0 64 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.885 112.6 50.9 -62.4 -41.3 36.2 23.5 22.2 65 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 105,-0.4 0.900 110.0 50.4 -60.9 -43.3 34.3 22.4 25.4 66 59 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.888 107.0 53.6 -62.6 -42.0 31.3 21.5 23.2 67 60 A R H X S+ 0 0 113 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.904 112.6 45.0 -58.3 -41.5 33.4 19.5 20.7 68 61 A R H X S+ 0 0 102 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.867 111.8 51.1 -71.7 -39.0 34.8 17.5 23.7 69 62 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 -51,-0.2 -2,-0.2 0.892 109.3 51.2 -64.1 -42.6 31.3 17.0 25.3 70 63 A L H X>S+ 0 0 10 -4,-2.6 5,-2.9 1,-0.2 4,-0.5 0.906 109.4 50.8 -59.4 -44.4 29.9 15.7 21.9 71 64 A S H ><5S+ 0 0 88 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.906 109.2 49.8 -61.3 -45.3 32.8 13.2 21.7 72 65 A N H 3<5S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.718 111.0 50.7 -66.8 -22.7 32.2 11.9 25.2 73 66 A A H 3<5S- 0 0 16 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.503 114.0-116.5 -90.2 -7.3 28.5 11.4 24.4 74 67 A G T <<5S+ 0 0 67 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.825 75.5 122.0 71.0 34.9 29.2 9.5 21.2 75 68 A L < - 0 0 47 -5,-2.9 -1,-0.3 -6,-0.1 2,-0.2 -0.828 52.0-146.1-126.7 160.7 27.6 12.3 19.1 76 69 A S > - 0 0 65 -2,-0.3 3,-2.0 -3,-0.1 4,-0.3 -0.723 43.2 -95.5-113.6 171.5 28.3 14.7 16.3 77 70 A A G > S+ 0 0 16 1,-0.3 3,-1.6 28,-0.3 29,-0.1 0.806 121.3 67.4 -57.9 -30.2 27.0 18.3 15.9 78 71 A A G 3 S+ 0 0 94 1,-0.3 -1,-0.3 3,-0.0 28,-0.0 0.622 94.0 59.2 -65.5 -14.0 24.2 16.9 13.6 79 72 A D G < S+ 0 0 70 -3,-2.0 2,-0.4 60,-0.0 -1,-0.3 0.571 88.8 93.0 -87.0 -13.5 22.7 15.1 16.7 80 73 A I < - 0 0 5 -3,-1.6 61,-0.2 -4,-0.3 3,-0.1 -0.683 47.4-177.8 -92.0 134.7 22.3 18.4 18.5 81 74 A D - 0 0 63 59,-2.8 30,-1.0 -2,-0.4 2,-0.3 0.563 69.0 -1.2-102.6 -15.3 19.0 20.3 18.3 82 75 A G E -bc 111 141A 0 58,-0.7 60,-2.6 28,-0.2 2,-0.4 -0.979 53.8-146.2-171.3 160.0 20.0 23.3 20.4 83 76 A V E -bc 112 142A 0 28,-1.8 30,-1.0 -2,-0.3 2,-0.5 -0.989 3.6-164.5-140.2 126.2 22.7 25.0 22.5 84 77 A I E -bc 113 143A 1 58,-2.6 60,-2.4 -2,-0.4 2,-0.5 -0.959 10.5-160.2-107.6 123.0 22.5 27.2 25.6 85 78 A V E -bc 114 144A 0 28,-2.1 30,-2.8 -2,-0.5 2,-0.5 -0.897 3.8-164.0 -96.8 125.8 25.6 29.2 26.4 86 79 A T E +bc 115 145A 0 58,-3.2 60,-2.4 -2,-0.5 2,-0.3 -0.966 29.9 132.4-113.0 126.7 25.8 30.4 30.0 87 80 A T - 0 0 2 28,-1.1 31,-0.2 -2,-0.5 60,-0.2 -0.977 46.9-159.9-162.5 161.7 28.4 33.1 30.6 88 81 A N S S+ 0 0 11 58,-0.5 59,-0.1 -2,-0.3 -1,-0.1 0.248 91.3 62.3-128.4 0.1 29.1 36.5 32.2 89 82 A T + 0 0 3 57,-0.4 2,-0.8 2,-0.0 -31,-0.5 -0.080 57.6 120.5-128.5 31.5 32.2 37.3 30.1 90 83 A H - 0 0 23 -32,-0.1 2,-0.2 334,-0.1 -3,-0.1 -0.899 53.9-154.2 -89.0 109.3 30.9 37.5 26.5 91 84 A F + 0 0 21 -2,-0.8 442,-2.5 2,-0.0 2,-0.4 0.021 62.2 82.9 -88.9 29.6 31.9 41.1 25.9 92 85 A L - 0 0 38 -2,-0.2 5,-0.1 440,-0.2 440,-0.1 -0.999 65.5-147.5-126.6 134.3 29.4 42.0 23.2 93 86 A Q S S+ 0 0 31 -2,-0.4 356,-0.2 1,-0.3 -1,-0.1 0.855 84.9 45.7 -60.9 -34.1 25.8 43.2 23.8 94 87 A T S S+ 0 0 15 1,-0.1 435,-2.7 -3,-0.1 -1,-0.3 -0.939 85.8 43.4-163.6 153.0 25.2 41.4 20.5 95 88 A P S S- 0 0 6 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.585 81.7-127.3 -69.2 160.4 25.5 39.0 18.7 96 89 A P > - 0 0 3 0, 0.0 4,-0.7 0, 0.0 -2,-0.1 -0.410 14.0-121.3 -70.3 158.4 24.9 36.3 21.4 97 90 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.865 98.1 74.3 -68.8 -38.8 27.6 33.6 21.7 98 91 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.831 96.5 44.7 -48.9 -50.7 25.2 30.6 21.1 99 92 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 422,-0.3 0.898 113.4 51.8 -64.0 -37.9 24.8 31.1 17.3 100 93 A M H X S+ 0 0 48 -4,-0.7 4,-2.2 -3,-0.3 -2,-0.2 0.915 111.9 46.9 -59.1 -45.1 28.5 31.7 16.8 101 94 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.919 109.9 52.9 -62.5 -47.8 29.3 28.5 18.8 102 95 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 4,-0.3 0.883 110.5 48.9 -52.7 -43.1 26.6 26.5 16.7 103 96 A A H ><5S+ 0 0 13 -4,-2.1 3,-1.8 5,-0.2 5,-0.3 0.925 107.9 51.8 -66.0 -47.8 28.4 27.7 13.5 104 97 A S H 3<5S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 106.7 55.8 -58.9 -34.2 31.9 26.7 14.6 105 98 A L T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.2 -28,-0.3 0.565 121.8-109.1 -74.5 -9.5 30.5 23.3 15.5 106 99 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.704 97.7 99.6 85.3 22.9 29.2 22.9 11.9 107 100 A A > < + 0 0 15 -5,-2.7 3,-1.3 -6,-0.2 -4,-0.2 -0.451 37.9 159.2-134.4 59.4 25.6 23.2 12.9 108 101 A K T 3 + 0 0 98 -5,-0.3 413,-1.5 1,-0.2 -5,-0.2 0.642 67.0 58.3 -60.8 -19.4 24.9 26.9 12.1 109 102 A G T 3 S+ 0 0 40 411,-0.2 410,-1.7 -7,-0.2 -1,-0.2 0.602 77.1 109.4 -91.8 -14.9 21.1 26.4 12.0 110 103 A I S < S- 0 0 29 -3,-1.3 408,-0.2 408,-0.2 -28,-0.2 -0.270 72.9-101.2 -71.6 148.7 20.2 25.0 15.4 111 104 A L E +b 82 0A 15 -30,-1.0 -28,-1.8 406,-0.4 2,-0.2 -0.189 54.9 138.1 -62.1 156.5 18.3 27.0 18.1 112 105 A G E -b 83 0A 2 406,-0.2 2,-0.3 -30,-0.2 -28,-0.2 -0.861 24.1-172.0 169.9 159.5 20.2 28.7 21.0 113 106 A F E -b 84 0A 6 -30,-1.0 -28,-2.1 -2,-0.2 2,-0.4 -0.948 31.7-101.0-153.2 167.2 20.6 31.7 23.2 114 107 A D E -bD 85 447A 8 333,-3.1 333,-3.0 -2,-0.3 2,-0.5 -0.828 30.3-158.6 -94.3 139.8 22.9 33.1 25.9 115 108 A L E -bD 86 446A 0 -30,-2.8 -28,-1.1 -2,-0.4 2,-0.5 -0.982 5.9-168.9-120.8 124.1 21.8 32.8 29.6 116 109 A S E + D 0 445A 27 329,-3.1 329,-3.0 -2,-0.5 -28,-0.1 -0.956 33.1 130.9-117.9 123.2 23.1 35.1 32.3 117 110 A A > - 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