==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-NOV-07 3BHP . COMPND 2 MOLECULE: UPF0291 PROTEIN YNZC; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,H.JANJUA,K.CUNNINGHAM, . 154 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 76.0 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 . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 1 0 0 0 0 0 0 0 0 1 4 0 0 0 0 0 0 0 0 1 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 43 0, 0.0 36,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 139.4 32.1 28.3 19.6 2 2 A I - 0 0 22 1,-0.1 5,-0.1 35,-0.1 35,-0.0 -0.210 360.0 -68.5 -74.4 166.5 30.5 30.5 22.3 3 3 A S > - 0 0 58 1,-0.1 4,-1.4 3,-0.1 -1,-0.1 0.023 37.1-119.2 -52.6 156.6 32.2 31.9 25.4 4 4 A N H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 67,-0.2 0.844 114.3 58.1 -66.6 -35.1 33.3 29.7 28.3 5 5 A A H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.902 107.2 47.5 -61.7 -40.9 31.0 31.5 30.7 6 6 A K H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.789 107.4 54.7 -71.7 -30.6 28.0 30.6 28.5 7 7 A I H X S+ 0 0 11 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.904 108.3 51.3 -68.0 -38.9 29.1 26.9 28.3 8 8 A A H X S+ 0 0 4 -4,-2.0 4,-2.0 59,-0.2 -2,-0.2 0.862 109.8 48.9 -64.4 -37.0 29.1 27.0 32.1 9 9 A R H X S+ 0 0 51 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.898 108.0 53.8 -70.3 -40.9 25.5 28.4 32.1 10 10 A I H X S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.929 110.6 47.8 -57.5 -45.2 24.3 25.8 29.6 11 11 A N H X S+ 0 0 29 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.5 51.4 -64.7 -40.7 25.7 23.1 32.0 12 12 A E H X S+ 0 0 78 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.919 114.4 42.4 -62.3 -45.1 24.1 24.7 35.0 13 13 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.828 109.6 57.5 -71.3 -33.0 20.6 24.9 33.4 14 14 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 96,-0.2 0.909 107.6 49.5 -62.9 -39.4 21.0 21.4 31.9 15 15 A A H X S+ 0 0 52 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.890 109.6 50.2 -66.4 -40.3 21.5 20.2 35.5 16 16 A K H X>S+ 0 0 72 -4,-1.6 5,-2.3 1,-0.2 6,-1.0 0.890 109.2 53.4 -65.5 -37.2 18.4 22.0 36.7 17 17 A A H ><5S+ 0 0 29 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.933 109.3 46.6 -62.0 -48.4 16.4 20.5 33.8 18 18 A K H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.855 112.3 51.5 -63.1 -34.2 17.4 16.9 34.7 19 19 A A H 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.563 110.9-124.0 -79.7 -8.1 16.6 17.7 38.4 20 20 A G T <<5S+ 0 0 65 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.775 84.7 105.0 71.6 26.6 13.2 19.0 37.4 21 21 A V < + 0 0 91 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 0.435 39.9 124.4-115.5 -2.5 13.7 22.4 39.1 22 22 A I - 0 0 27 -6,-1.0 2,-0.1 -9,-0.1 -9,-0.0 -0.350 53.8-136.5 -63.7 135.1 14.3 24.6 36.0 23 23 A T > - 0 0 67 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.387 22.6-107.9 -86.3 168.8 11.9 27.5 35.8 24 24 A E H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.857 121.4 52.9 -64.6 -35.1 10.1 28.8 32.7 25 25 A E H > S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 110.3 47.8 -67.5 -36.9 12.4 31.8 32.5 26 26 A E H > S+ 0 0 25 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.856 107.7 55.5 -72.1 -34.2 15.5 29.5 32.7 27 27 A K H X S+ 0 0 94 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 109.8 46.2 -63.2 -42.3 14.0 27.2 30.0 28 28 A A H X S+ 0 0 54 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.907 112.5 50.8 -65.6 -42.4 13.8 30.2 27.7 29 29 A E H X S+ 0 0 68 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.931 110.2 49.9 -60.7 -45.3 17.3 31.2 28.6 30 30 A Q H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.885 108.5 52.7 -61.5 -40.6 18.5 27.7 27.9 31 31 A Q H X S+ 0 0 97 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.921 109.3 48.8 -62.0 -44.0 16.8 27.7 24.5 32 32 A K H X S+ 0 0 146 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.911 113.7 47.0 -61.8 -42.8 18.5 31.0 23.5 33 33 A L H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.879 108.5 54.4 -66.8 -38.4 21.9 29.6 24.7 34 34 A R H X S+ 0 0 26 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.817 109.9 48.3 -64.8 -30.9 21.4 26.3 22.8 35 35 A Q H X S+ 0 0 112 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.886 111.2 49.4 -75.8 -39.0 20.7 28.4 19.6 36 36 A E H X S+ 0 0 64 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.870 111.4 51.1 -65.8 -35.8 23.8 30.5 20.3 37 37 A Y H X S+ 0 0 18 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.935 110.0 47.2 -66.6 -47.2 25.8 27.2 20.8 38 38 A L H X S+ 0 0 24 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.838 111.7 52.4 -63.4 -34.0 24.6 25.6 17.6 39 39 A K H X S+ 0 0 144 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.923 110.6 45.8 -68.0 -45.8 25.4 28.9 15.7 40 40 A G H X S+ 0 0 13 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.758 113.6 52.7 -68.5 -23.1 28.9 29.0 17.0 41 41 A F H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.899 106.4 48.8 -79.1 -43.1 29.2 25.3 16.2 42 42 A R H X S+ 0 0 87 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.887 111.7 52.3 -62.6 -38.2 28.1 25.5 12.5 43 43 A S H X S+ 0 0 72 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.910 110.5 46.8 -63.2 -43.7 30.6 28.4 12.2 44 44 A S H >X S+ 0 0 10 -4,-1.4 4,-0.7 1,-0.2 3,-0.7 0.843 107.0 57.4 -67.9 -34.5 33.4 26.2 13.6 45 45 A X H 3X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.750 94.5 68.7 -67.5 -22.9 32.4 23.3 11.4 46 46 A K H 3< S+ 0 0 129 -4,-1.0 4,-0.4 -3,-0.4 -1,-0.2 0.873 107.5 36.1 -63.8 -36.6 33.0 25.6 8.4 47 47 A N H << S+ 0 0 95 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.512 113.4 57.1 -94.7 -6.2 36.7 25.7 9.1 48 48 A T H < S+ 0 0 22 -4,-0.7 -2,-0.2 -3,-0.1 -1,-0.2 0.689 96.7 64.7 -92.0 -23.1 36.9 22.0 10.3 49 49 A L S < S+ 0 0 62 -4,-1.6 2,-2.8 1,-0.2 -2,-0.2 0.841 83.1 80.9 -65.9 -34.0 35.5 20.9 6.9 50 50 A K S S+ 0 0 180 -4,-0.4 2,-0.3 -5,-0.1 -1,-0.2 -0.344 82.8 82.2 -73.1 62.6 38.6 22.3 5.3 51 51 A S 0 0 64 -2,-2.8 -3,-0.0 44,-0.1 0, 0.0 -0.986 360.0 360.0-162.3 156.9 40.6 19.2 6.1 52 52 A V 0 0 133 -2,-0.3 47,-0.1 47,-0.0 -1,-0.1 0.394 360.0 360.0 -92.7 360.0 41.4 15.6 4.9 53 !* 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 54 1 B X 0 0 82 0, 0.0 36,-0.1 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 139.1 35.6 13.1 19.7 55 2 B I - 0 0 19 35,-0.3 5,-0.0 34,-0.1 35,-0.0 -0.156 360.0 -91.6 -60.8 155.1 37.5 14.2 22.8 56 3 B S > - 0 0 54 1,-0.1 4,-1.7 4,-0.0 3,-0.2 -0.149 28.8-115.1 -64.2 159.6 37.7 11.9 25.9 57 4 B N H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 63,-0.2 0.885 117.3 57.6 -63.0 -38.3 35.2 12.0 28.7 58 5 B A H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 106.8 47.2 -61.3 -37.3 38.1 13.3 31.0 59 6 B K H > S+ 0 0 76 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.830 107.4 56.1 -74.9 -30.7 38.7 16.2 28.7 60 7 B I H X S+ 0 0 20 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.931 107.7 50.4 -63.8 -41.8 35.0 17.1 28.6 61 8 B A H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.915 109.6 49.5 -61.1 -44.4 35.1 17.2 32.4 62 9 B R H X S+ 0 0 53 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.892 108.5 53.4 -63.6 -40.3 38.1 19.6 32.3 63 10 B I H X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.927 111.2 46.2 -59.6 -43.9 36.4 21.8 29.8 64 11 B N H X S+ 0 0 29 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 111.6 52.5 -66.3 -39.4 33.4 22.0 32.1 65 12 B E H X S+ 0 0 77 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.934 113.3 42.3 -60.3 -50.2 35.6 22.7 35.1 66 13 B L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.836 110.4 57.2 -67.9 -33.1 37.4 25.5 33.5 67 14 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -59,-0.2 0.904 106.4 50.9 -63.1 -40.2 34.1 26.9 32.1 68 15 B A H X S+ 0 0 52 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.893 109.2 49.7 -64.0 -41.5 32.9 27.1 35.6 69 16 B K H <>S+ 0 0 84 -4,-1.7 5,-2.5 2,-0.2 6,-1.1 0.844 110.2 52.0 -66.0 -34.1 36.0 29.0 36.8 70 17 B A H ><5S+ 0 0 24 -4,-2.0 3,-1.2 4,-0.2 -2,-0.2 0.936 110.8 45.9 -67.4 -47.0 35.5 31.4 33.8 71 18 B K H 3<5S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.845 111.7 52.5 -64.9 -33.1 31.9 32.1 34.8 72 19 B A T 3<5S- 0 0 74 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.498 112.8-122.9 -80.8 -4.0 32.9 32.5 38.4 73 20 B G T < 5S+ 0 0 65 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.728 85.4 103.3 70.3 25.7 35.5 35.0 37.3 74 21 B V < + 0 0 105 -5,-2.5 -4,-0.2 -6,-0.2 2,-0.1 0.341 40.1 127.1-118.7 5.2 38.4 33.2 38.9 75 22 B I - 0 0 26 -6,-1.1 2,-0.1 -9,-0.1 -9,-0.0 -0.399 51.5-135.9 -67.9 137.6 40.1 31.5 35.8 76 23 B T > - 0 0 68 -2,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.385 21.6-108.1 -88.4 169.4 43.8 32.2 35.5 77 24 B E H > S+ 0 0 138 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 121.5 48.7 -62.7 -42.3 45.7 33.2 32.3 78 25 B E H > S+ 0 0 168 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 111.1 49.0 -64.1 -44.7 47.3 29.7 32.2 79 26 B E H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.884 109.4 54.4 -61.9 -36.4 44.0 28.0 32.7 80 27 B K H X S+ 0 0 86 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.942 108.9 46.8 -61.3 -47.0 42.6 30.2 29.9 81 28 B A H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.892 111.9 52.3 -61.2 -38.9 45.3 29.0 27.6 82 29 B E H X S+ 0 0 72 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 108.7 49.5 -63.0 -44.3 44.6 25.5 28.7 83 30 B Q H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.870 107.2 54.8 -62.8 -39.1 40.9 25.9 27.9 84 31 B Q H X S+ 0 0 115 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.916 109.2 48.7 -59.4 -44.5 41.7 27.3 24.4 85 32 B K H X S+ 0 0 149 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.913 113.3 45.9 -62.0 -45.7 43.7 24.2 23.7 86 33 B L H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.879 109.1 55.3 -66.7 -38.8 40.9 21.9 24.9 87 34 B R H X S+ 0 0 26 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.893 108.7 48.1 -61.8 -39.8 38.3 23.8 22.9 88 35 B Q H X S+ 0 0 112 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.879 110.3 51.3 -68.6 -36.5 40.3 23.3 19.7 89 36 B E H X S+ 0 0 78 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.874 107.0 56.3 -65.8 -35.7 40.7 19.6 20.6 90 37 B Y H < S+ 0 0 12 -4,-2.3 3,-0.4 2,-0.2 -35,-0.3 0.959 111.2 41.0 -59.6 -52.6 36.9 19.5 21.0 91 38 B L H >< S+ 0 0 6 -4,-2.0 3,-2.8 1,-0.2 -2,-0.2 0.938 110.9 55.1 -62.3 -49.8 36.2 20.8 17.5 92 39 B K H >< S+ 0 0 143 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.762 95.7 71.8 -56.3 -22.5 38.9 18.7 15.9 93 40 B G T 3< S+ 0 0 15 -4,-1.1 -1,-0.3 -3,-0.4 4,-0.2 0.645 90.2 58.3 -68.1 -14.1 37.1 15.8 17.5 94 41 B F T <> S+ 0 0 0 -3,-2.8 4,-1.9 -4,-0.2 -1,-0.3 0.284 77.4 100.2 -96.6 7.2 34.3 16.3 15.0 95 42 B R H <> S+ 0 0 85 -3,-1.6 4,-1.8 1,-0.2 5,-0.2 0.946 82.2 44.4 -58.9 -54.2 36.6 15.8 12.0 96 43 B S H > S+ 0 0 73 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.809 113.1 52.7 -62.4 -31.3 35.7 12.2 11.3 97 44 B S H > S+ 0 0 6 -4,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.857 105.7 54.5 -72.4 -35.1 32.0 12.9 11.7 98 45 B X H < S+ 0 0 10 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.912 110.3 45.6 -64.6 -42.5 32.3 15.8 9.2 99 46 B K H < S+ 0 0 113 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.825 106.9 57.5 -71.4 -31.5 33.7 13.5 6.6 100 47 B N H < 0 0 122 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.770 360.0 360.0 -68.4 -22.8 31.1 10.8 7.2 101 48 B T < 0 0 71 -4,-1.0 47,-0.0 -3,-0.3 43,-0.0 -0.541 360.0 360.0 -92.5 360.0 28.6 13.4 6.4 102 !* 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 0.0 103 1 C X 0 0 61 0, 0.0 40,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 148.5 21.0 18.5 19.5 104 2 C I - 0 0 11 35,-0.3 5,-0.1 1,-0.1 35,-0.1 -0.143 360.0 -88.2 -56.9 153.4 20.8 16.1 22.4 105 3 C S > - 0 0 53 1,-0.1 4,-1.8 3,-0.1 5,-0.1 -0.155 30.5-115.5 -63.2 159.8 18.3 16.9 25.2 106 4 C N H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -88,-0.2 0.914 116.4 53.1 -62.0 -44.5 19.2 19.0 28.2 107 5 C A H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 110.0 49.1 -60.9 -33.1 18.7 16.1 30.7 108 6 C K H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.829 107.6 53.4 -76.1 -31.0 21.1 14.0 28.5 109 7 C I H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.923 108.5 51.7 -66.3 -42.5 23.7 16.8 28.5 110 8 C A H X S+ 0 0 5 -4,-2.4 4,-2.0 -96,-0.2 -2,-0.2 0.928 109.6 48.5 -58.5 -47.9 23.5 16.9 32.3 111 9 C R H X S+ 0 0 47 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.914 107.9 54.3 -60.4 -45.3 24.1 13.1 32.5 112 10 C I H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 109.8 48.5 -56.4 -41.6 27.1 13.3 30.1 113 11 C N H X S+ 0 0 29 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.888 109.9 51.2 -68.3 -37.9 28.6 15.9 32.3 114 12 C E H X S+ 0 0 79 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.939 114.5 43.0 -62.8 -47.8 28.0 13.8 35.5 115 13 C L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.852 110.6 55.5 -67.1 -35.8 29.6 10.8 34.0 116 14 C A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.920 106.3 52.0 -63.8 -41.7 32.5 12.8 32.5 117 15 C A H X S+ 0 0 51 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.880 110.8 48.0 -61.2 -38.5 33.3 14.1 36.0 118 16 C K H X>S+ 0 0 74 -4,-1.5 5,-2.0 2,-0.2 6,-1.1 0.875 109.5 52.1 -69.8 -38.7 33.3 10.5 37.4 119 17 C A H ><5S+ 0 0 32 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.914 111.7 46.5 -63.0 -44.5 35.6 9.3 34.6 120 18 C K H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 111.0 52.9 -66.8 -32.7 38.1 12.1 35.2 121 19 C A H 3<5S- 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.579 108.3-127.4 -78.8 -10.7 37.9 11.4 39.0 122 20 C G T <<5S+ 0 0 65 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.724 86.0 100.1 71.5 21.7 38.7 7.7 38.3 123 21 C V < + 0 0 99 -5,-2.0 -4,-0.2 -6,-0.1 2,-0.1 0.306 41.9 129.1-119.4 6.7 35.7 6.6 40.3 124 22 C I - 0 0 40 -6,-1.1 2,-0.1 -9,-0.1 -9,-0.0 -0.410 55.7-128.9 -65.2 135.5 33.2 5.8 37.5 125 23 C T > - 0 0 64 -2,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.390 21.9-107.4 -81.3 165.0 31.7 2.4 37.8 126 24 C E H > S+ 0 0 149 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.797 118.9 50.6 -64.1 -30.0 31.7 -0.1 34.9 127 25 C E H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.945 107.8 51.2 -73.5 -46.0 28.0 0.3 34.3 128 26 C E H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.836 106.7 57.6 -58.0 -31.9 28.2 4.1 34.1 129 27 C K H X S+ 0 0 119 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.913 107.2 45.8 -64.8 -43.0 31.0 3.6 31.6 130 28 C A H X S+ 0 0 68 -4,-1.3 4,-1.4 -3,-0.3 -2,-0.2 0.893 113.1 51.2 -66.3 -40.6 28.7 1.7 29.3 131 29 C E H X S+ 0 0 75 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.934 107.2 52.1 -63.2 -45.8 26.0 4.3 29.8 132 30 C Q H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.875 104.1 59.3 -59.2 -36.2 28.3 7.1 28.9 133 31 C Q H X S+ 0 0 99 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.907 106.5 45.2 -60.7 -43.0 29.3 5.3 25.7 134 32 C K H X S+ 0 0 127 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.885 111.5 53.8 -68.0 -37.8 25.7 5.3 24.5 135 33 C L H X S+ 0 0 10 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.904 104.6 54.0 -62.5 -42.4 25.2 9.0 25.4 136 34 C R H X S+ 0 0 50 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.927 107.8 51.3 -57.2 -45.6 28.3 10.0 23.4 137 35 C Q H X S+ 0 0 119 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.899 112.7 44.3 -59.5 -41.8 26.8 8.3 20.4 138 36 C E H X S+ 0 0 55 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.854 110.7 56.4 -71.2 -34.6 23.5 10.2 20.9 139 37 C Y H < S+ 0 0 35 -4,-2.9 4,-0.3 2,-0.2 -35,-0.3 0.950 111.3 42.7 -60.4 -50.1 25.5 13.4 21.5 140 38 C L H >< S+ 0 0 29 -4,-2.8 3,-2.3 1,-0.2 4,-0.4 0.949 112.6 50.5 -63.2 -52.1 27.3 13.0 18.1 141 39 C K H >< S+ 0 0 148 -4,-2.4 3,-1.2 1,-0.3 4,-0.5 0.812 101.6 65.7 -57.3 -29.0 24.2 12.0 16.1 142 40 C G T 3< S+ 0 0 20 -4,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.661 101.8 48.2 -67.8 -15.4 22.5 15.0 17.6 143 41 C F T <> S+ 0 0 0 -3,-2.3 4,-2.0 -4,-0.3 -1,-0.3 0.438 84.6 92.1-102.2 -3.9 24.9 17.3 15.7 144 42 C R H <> S+ 0 0 73 -3,-1.2 4,-0.9 -4,-0.4 -2,-0.1 0.894 85.7 51.1 -57.5 -42.6 24.5 15.5 12.4 145 43 C S H >> S+ 0 0 75 -4,-0.5 3,-1.2 1,-0.2 4,-0.9 0.948 109.5 49.5 -60.3 -50.1 21.7 17.9 11.4 146 44 C S H >4 S+ 0 0 9 -4,-0.3 3,-0.5 1,-0.3 -1,-0.2 0.842 107.8 55.4 -58.0 -35.2 23.8 20.9 12.2 147 45 C X H 3< S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.685 102.6 55.2 -73.2 -18.3 26.7 19.5 10.2 148 46 C K H X< S+ 0 0 90 -3,-1.2 3,-0.6 -4,-0.9 7,-0.4 0.663 102.9 58.1 -84.8 -18.2 24.5 19.2 7.1 149 47 C N T << S+ 0 0 78 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.427 85.4 76.6 -89.5 -1.4 23.7 22.9 7.5 150 48 C T T 3 S+ 0 0 14 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.327 112.8 26.8 -88.4 6.7 27.4 23.7 7.2 151 49 C L S < S- 0 0 77 -3,-0.6 5,-0.3 2,-0.1 -2,-0.2 0.235 119.8-115.0-141.0 -7.0 26.9 23.1 3.5 152 50 C K > - 0 0 141 3,-0.2 4,-1.4 2,-0.1 -3,-0.2 0.960 65.3 -41.8 62.6 94.7 23.2 24.0 3.6 153 51 C S T 4 S- 0 0 88 -5,-0.2 2,-2.0 1,-0.2 -2,-0.1 -0.228 129.6 -13.6 56.4-145.8 21.1 20.9 2.8 154 52 C V T 4 S- 0 0 111 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.262 116.0 -83.5 -80.3 51.6 22.5 18.8 -0.1 155 53 C L T 4 0 0 113 -2,-2.0 -2,-0.2 -7,-0.4 -3,-0.2 0.944 360.0 360.0 40.8 79.9 24.8 21.8 -0.8 156 54 C E < 0 0 201 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 -0.341 360.0 360.0 57.1 360.0 22.4 23.9 -2.9