==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE INHIBITOR 23-JAN-09 3FYR . COMPND 2 MOLECULE: SPORULATION INHIBITOR SDA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.A.JACQUES,M.STREAMER,G.F.KING,J.M.GUSS,J.TREWHELLA, . 114 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.5 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 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X > 0 0 77 0, 0.0 3,-0.7 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 -23.5 15.2 24.3 67.1 2 2 A R T 3 + 0 0 178 1,-0.2 7,-0.0 7,-0.0 0, 0.0 0.749 360.0 54.2 -67.0 -21.6 11.7 25.5 66.3 3 3 A K T 3 S+ 0 0 101 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.541 85.2 108.1 -92.0 -10.0 10.5 22.1 67.6 4 4 A L S < S- 0 0 51 -3,-0.7 2,-0.0 1,-0.1 5,-0.0 -0.428 75.5-113.8 -62.3 138.7 12.3 22.4 71.0 5 5 A S > - 0 0 71 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.367 29.8-111.8 -61.0 153.7 10.2 23.0 74.1 6 6 A D H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.900 119.6 54.7 -55.4 -43.7 10.9 26.4 75.7 7 7 A E H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 111.9 41.8 -55.4 -51.5 12.5 24.5 78.7 8 8 A L H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.832 112.7 55.2 -69.9 -31.1 15.0 22.6 76.4 9 9 A L H X S+ 0 0 4 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.952 112.2 41.7 -63.9 -48.3 15.6 25.8 74.3 10 10 A I H X S+ 0 0 70 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.905 113.7 52.2 -69.0 -43.4 16.7 27.8 77.3 11 11 A E H X S+ 0 0 45 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.925 108.7 51.8 -55.2 -45.1 18.6 25.0 78.8 12 12 A S H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.827 106.1 55.2 -61.3 -36.1 20.5 24.6 75.5 13 13 A Y H X S+ 0 0 71 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.927 112.1 41.4 -60.6 -48.7 21.4 28.3 75.5 14 14 A F H X S+ 0 0 119 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.933 116.9 48.7 -65.3 -45.2 23.0 28.2 78.9 15 15 A K H X S+ 0 0 41 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.938 110.4 50.5 -63.2 -47.0 24.7 24.8 78.1 16 16 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 4,-0.4 0.898 115.0 43.8 -55.6 -43.4 26.1 26.0 74.8 17 17 A T H ><5S+ 0 0 72 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.919 113.8 49.7 -68.9 -46.5 27.5 29.1 76.4 18 18 A E H 3<5S+ 0 0 56 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.817 113.9 45.9 -62.6 -34.1 28.9 27.2 79.5 19 19 A X T 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.504 110.2-126.7 -86.2 -6.4 30.6 24.7 77.2 20 20 A N T < 5 + 0 0 76 -3,-0.9 -3,-0.2 -4,-0.4 3,-0.1 0.915 43.8 177.2 58.2 48.8 31.9 27.6 75.0 21 21 A L < - 0 0 3 -5,-2.8 5,-0.1 1,-0.2 -1,-0.1 -0.230 46.5 -50.6 -74.7 169.1 30.4 26.1 71.8 22 22 A N > - 0 0 79 64,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.131 51.0-136.4 -45.1 124.7 30.7 27.8 68.3 23 23 A R H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.772 102.4 53.5 -59.9 -29.3 29.5 31.4 68.7 24 24 A D H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 107.8 51.0 -74.3 -35.9 27.4 31.4 65.5 25 25 A F H > S+ 0 0 11 -3,-0.4 4,-1.4 2,-0.2 3,-0.4 0.934 109.0 51.2 -61.0 -44.4 25.7 28.3 66.7 26 26 A I H X S+ 0 0 19 -4,-2.1 4,-2.4 1,-0.2 3,-0.2 0.899 105.5 56.7 -61.3 -40.6 24.9 30.1 70.0 27 27 A E H X S+ 0 0 94 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.844 101.5 56.6 -55.8 -37.8 23.5 33.0 67.9 28 28 A L H X S+ 0 0 98 -4,-1.5 4,-1.6 -3,-0.4 -1,-0.2 0.888 107.9 47.5 -63.3 -39.3 21.1 30.6 66.3 29 29 A I H X S+ 0 0 2 -4,-1.4 4,-2.3 -3,-0.2 -2,-0.2 0.932 111.5 50.4 -65.0 -48.6 19.8 29.7 69.7 30 30 A E H X S+ 0 0 82 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 109.0 52.5 -51.3 -44.6 19.5 33.4 70.7 31 31 A N H X S+ 0 0 82 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.833 108.2 50.0 -64.0 -36.6 17.6 34.1 67.4 32 32 A E H X S+ 0 0 14 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.883 110.6 50.1 -67.6 -39.1 15.1 31.3 68.2 33 33 A I H X S+ 0 0 46 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.934 113.3 46.4 -62.9 -45.1 14.6 32.7 71.7 34 34 A K H X S+ 0 0 51 -4,-2.6 4,-2.2 2,-0.2 3,-0.4 0.921 109.6 53.9 -62.5 -44.4 14.0 36.2 70.2 35 35 A R H < S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.4 47.8 -56.6 -46.5 11.6 34.8 67.6 36 36 A R H < S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.770 112.4 49.8 -66.7 -27.4 9.5 33.2 70.2 37 37 A S H < 0 0 99 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.796 360.0 360.0 -82.5 -31.8 9.4 36.4 72.3 38 38 A L < 0 0 121 -4,-2.2 -3,-0.1 -5,-0.1 0, 0.0 0.151 360.0 360.0 -83.1 360.0 8.4 38.6 69.4 39 !* 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 40 1 B X > 0 0 79 0, 0.0 3,-1.2 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 -11.4 31.9 9.5 87.9 41 2 B R T 3 + 0 0 69 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.821 360.0 42.2 -64.7 -33.0 31.3 5.8 87.2 42 3 B K T 3 S+ 0 0 104 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.333 87.0 115.7 -98.8 7.6 27.5 6.1 87.0 43 4 B L S < S- 0 0 49 -3,-1.2 2,-0.0 1,-0.1 5,-0.0 -0.561 72.0-114.9 -70.2 137.7 27.5 9.4 85.0 44 5 B S > - 0 0 57 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.389 25.8-112.9 -66.3 152.9 26.0 9.0 81.5 45 6 B D H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.851 118.9 53.6 -54.4 -38.1 28.4 9.5 78.6 46 7 B E H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.828 107.7 48.9 -73.4 -30.5 26.6 12.7 77.7 47 8 B L H > S+ 0 0 65 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.832 110.3 52.9 -72.6 -32.6 26.9 14.1 81.2 48 9 B L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.869 109.9 47.7 -66.0 -38.1 30.6 13.3 81.1 49 10 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.952 114.3 46.2 -66.0 -49.4 30.9 15.2 77.8 50 11 B E H X S+ 0 0 13 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.908 112.1 51.7 -56.8 -47.6 29.1 18.1 79.2 51 12 B S H X S+ 0 0 24 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.891 108.1 50.2 -60.8 -43.2 31.1 18.1 82.4 52 13 B Y H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.926 112.9 45.7 -65.6 -43.7 34.5 18.0 80.7 53 14 B F H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.957 117.5 44.0 -62.9 -48.9 33.6 21.0 78.4 54 15 B K H X S+ 0 0 45 -4,-2.5 4,-2.3 -5,-0.2 6,-0.2 0.923 115.1 48.5 -62.8 -43.9 32.2 23.0 81.3 55 16 B A H <>S+ 0 0 1 -4,-2.8 5,-2.2 -5,-0.2 4,-0.3 0.919 116.7 40.8 -65.6 -45.5 35.0 22.2 83.8 56 17 B T H ><5S+ 0 0 45 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.883 117.5 47.6 -71.4 -40.2 37.8 23.0 81.4 57 18 B E H 3<5S+ 0 0 65 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.860 113.5 48.1 -69.9 -32.6 36.1 26.2 80.0 58 19 B X T 3<5S- 0 0 92 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.423 109.0-122.7 -86.6 -0.5 35.2 27.5 83.5 59 20 B N T < 5 + 0 0 87 -3,-0.7 -3,-0.2 -4,-0.3 3,-0.1 0.821 47.3 177.7 62.8 33.9 38.8 26.8 84.8 60 21 B L < - 0 0 70 -5,-2.2 5,-0.1 -6,-0.2 -1,-0.1 -0.090 44.8 -52.4 -62.3 163.9 37.5 24.6 87.6 61 22 B N >> - 0 0 65 1,-0.2 4,-2.3 3,-0.1 3,-0.7 -0.075 46.8-134.4 -36.9 125.5 39.8 22.8 90.1 62 23 B R H 3> S+ 0 0 77 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.762 107.2 59.1 -61.3 -21.8 42.5 20.8 88.2 63 24 B D H 3> S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.868 105.2 46.9 -70.8 -39.0 41.7 17.9 90.6 64 25 B F H <> S+ 0 0 84 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.921 111.8 50.5 -69.7 -41.2 38.1 17.8 89.5 65 26 B I H X S+ 0 0 27 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.919 108.6 53.3 -60.7 -41.8 39.2 18.0 85.8 66 27 B E H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.850 105.3 53.8 -61.1 -36.0 41.6 15.0 86.6 67 28 B L H X S+ 0 0 39 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.914 113.0 43.4 -63.6 -43.0 38.6 13.0 88.0 68 29 B I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 113.2 50.9 -67.2 -47.5 36.7 13.6 84.8 69 30 B E H X S+ 0 0 88 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.868 109.5 51.9 -57.8 -37.5 39.8 12.9 82.6 70 31 B N H X S+ 0 0 117 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.882 110.2 47.4 -66.7 -40.6 40.4 9.6 84.5 71 32 B E H X S+ 0 0 15 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.884 110.0 52.4 -69.6 -40.3 36.8 8.5 83.9 72 33 B I H X S+ 0 0 8 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.934 113.4 44.4 -54.3 -50.4 36.9 9.3 80.2 73 34 B K H < S+ 0 0 55 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.912 109.1 56.8 -65.0 -41.9 40.1 7.3 79.9 74 35 B R H < S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 109.6 46.9 -52.9 -39.8 38.6 4.4 82.0 75 36 B R H < 0 0 64 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.800 360.0 360.0 -76.0 -31.2 35.7 4.3 79.5 76 37 B S < 0 0 103 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.954 360.0 360.0 -66.1 360.0 37.9 4.3 76.4 77 !* 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 78 3 C K 0 0 86 0, 0.0 2,-0.6 0, 0.0 -31,-0.0 0.000 360.0 360.0 360.0 -59.8 20.6 16.2 78.6 79 4 C L - 0 0 4 -64,-0.0 -32,-0.0 4,-0.0 -33,-0.0 -0.952 360.0-134.1-103.7 119.9 22.6 17.1 75.4 80 5 C S > - 0 0 39 -2,-0.6 4,-2.7 -72,-0.1 5,-0.2 -0.265 26.9-107.7 -63.0 156.7 20.4 17.8 72.4 81 6 C D H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 122.7 50.5 -49.8 -44.9 21.5 16.2 69.1 82 7 C E H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 110.1 48.4 -67.2 -41.1 22.6 19.7 67.9 83 8 C L H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 111.7 50.9 -63.1 -41.2 24.6 20.4 71.0 84 9 C L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.900 110.8 47.1 -63.5 -44.2 26.3 17.0 70.8 85 10 C I H X S+ 0 0 31 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.933 112.1 50.4 -65.1 -45.5 27.3 17.5 67.1 86 11 C E H X S+ 0 0 39 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.839 107.5 55.4 -59.8 -33.1 28.6 21.0 68.0 87 12 C S H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.894 106.6 50.5 -64.9 -41.9 30.6 19.3 70.9 88 13 C Y H X S+ 0 0 37 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.943 111.1 47.9 -58.6 -48.4 32.2 17.0 68.3 89 14 C F H X S+ 0 0 90 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.899 114.1 47.1 -61.3 -42.0 33.2 19.9 66.1 90 15 C K H X S+ 0 0 55 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.919 112.3 48.5 -66.0 -45.9 34.6 21.9 69.1 91 16 C A H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.3 0.875 115.5 44.3 -62.8 -42.1 36.6 18.9 70.5 92 17 C T H ><5S+ 0 0 58 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.2 0.901 112.3 52.1 -70.0 -43.5 38.1 18.1 67.0 93 18 C E H 3<5S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.942 113.1 45.3 -55.0 -48.5 38.8 21.8 66.3 94 19 C X T 3<5S- 0 0 83 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.473 108.2-126.2 -75.9 -3.3 40.6 22.1 69.7 95 20 C N T < 5 - 0 0 84 -3,-1.0 -3,-0.2 -4,-0.3 3,-0.1 0.909 42.9-178.0 55.1 46.7 42.6 18.8 69.2 96 21 C L < - 0 0 29 -5,-2.5 5,-0.1 1,-0.2 -1,-0.1 -0.217 40.4 -59.4 -69.9 165.3 41.4 17.4 72.5 97 22 C N > - 0 0 60 1,-0.1 4,-1.9 3,-0.1 3,-0.5 -0.086 46.0-126.0 -46.2 140.3 42.5 14.0 73.8 98 23 C R H > S+ 0 0 155 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.801 109.2 58.1 -63.3 -33.6 41.6 11.1 71.6 99 24 C D H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.857 107.1 49.5 -65.9 -34.1 39.8 9.2 74.4 100 25 C F H > S+ 0 0 2 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.918 110.7 49.1 -68.6 -41.6 37.5 12.2 74.7 101 26 C I H X S+ 0 0 19 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.882 109.5 52.6 -65.1 -35.8 36.9 12.3 71.0 102 27 C E H X S+ 0 0 31 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.901 106.5 54.0 -65.2 -40.1 36.1 8.6 71.1 103 28 C L H X S+ 0 0 10 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.908 111.3 44.7 -57.2 -44.1 33.6 9.2 73.9 104 29 C I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.946 113.3 50.2 -70.0 -45.3 31.8 11.8 71.7 105 30 C E H X S+ 0 0 37 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.921 108.4 53.2 -56.5 -45.7 31.9 9.6 68.7 106 31 C N H X S+ 0 0 47 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.855 110.4 47.2 -59.1 -37.8 30.5 6.7 70.6 107 32 C E H X S+ 0 0 5 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.794 110.5 53.0 -72.2 -31.2 27.5 8.9 71.8 108 33 C I H ><>S+ 0 0 6 -4,-1.9 5,-1.7 2,-0.2 3,-1.5 0.978 110.1 47.3 -66.6 -55.5 26.9 10.1 68.2 109 34 C K H ><5S+ 0 0 137 -4,-2.6 3,-3.1 1,-0.3 5,-0.4 0.916 105.6 58.1 -48.9 -52.0 26.7 6.5 66.9 110 35 C R H 3<5S+ 0 0 168 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.708 106.3 50.7 -60.0 -19.2 24.4 5.4 69.6 111 36 C R T <<5S- 0 0 47 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.383 119.4-112.0 -93.9 2.8 22.0 8.1 68.4 112 37 C S T < 5S+ 0 0 81 -3,-3.1 -3,-0.2 -4,-0.3 -2,-0.1 0.835 90.2 114.1 69.6 34.2 22.2 7.0 64.8 113 38 C L > < + 0 0 35 -5,-1.7 3,-1.8 1,-0.1 -4,-0.2 0.061 29.2 121.9-115.2 17.6 24.1 10.1 63.8 114 39 C G T 3 + 0 0 38 -5,-0.4 -5,-0.1 -6,-0.3 -1,-0.1 0.691 56.6 78.8 -59.0 -22.0 27.3 8.2 63.0 115 40 C H T 3 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.334 360.0 360.0 -66.2 6.3 27.1 9.6 59.4 116 41 C I < 0 0 123 -3,-1.8 -1,-0.2 -11,-0.1 -31,-0.0 -0.306 360.0 360.0 61.8 360.0 28.6 12.7 61.2