==== 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 VIRAL PROTEIN/INHIBITOR 03-SEP-07 2R5D . COMPND 2 MOLECULE: GP41 N-PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.P.VANDEMARK,B.WELCH,A.HEROUX,C.P.HILL,M.S.KAY . 180 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 83.3 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 R > 0 0 170 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -35.8 34.8 -2.3 -16.8 2 2 A M H > + 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.911 360.0 50.7 -66.1 -42.1 32.3 -5.0 -17.8 3 3 A K H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 109.3 51.3 -59.4 -46.2 33.4 -7.3 -15.0 4 4 A Q H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 110.0 50.0 -56.6 -43.7 33.0 -4.5 -12.4 5 5 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.940 110.7 49.5 -59.6 -48.7 29.5 -3.8 -13.7 6 6 A E H X S+ 0 0 43 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.837 109.1 51.5 -61.5 -37.4 28.6 -7.5 -13.5 7 7 A D H X S+ 0 0 69 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.906 111.1 47.6 -67.1 -44.3 29.9 -7.8 -9.9 8 8 A K H X S+ 0 0 65 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.881 109.0 54.8 -63.9 -39.4 27.8 -4.8 -8.8 9 9 A I H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.932 108.1 49.0 -59.7 -46.9 24.7 -6.2 -10.5 10 10 A E H X S+ 0 0 122 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.907 111.3 50.1 -55.3 -45.5 25.1 -9.4 -8.5 11 11 A E H X S+ 0 0 108 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 110.7 48.8 -60.0 -47.5 25.5 -7.4 -5.3 12 12 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.924 111.0 50.5 -60.0 -45.7 22.4 -5.4 -6.0 13 13 A E H X S+ 0 0 34 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.911 109.5 50.8 -58.4 -44.4 20.4 -8.6 -6.8 14 14 A S H X S+ 0 0 71 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.884 111.1 48.6 -59.8 -41.6 21.5 -10.2 -3.5 15 15 A K H X S+ 0 0 46 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.863 107.0 55.3 -68.8 -37.7 20.4 -7.1 -1.6 16 16 A Q H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.891 107.1 50.3 -63.0 -41.7 17.0 -7.0 -3.3 17 17 A K H X S+ 0 0 125 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 111.1 49.2 -60.9 -43.6 16.4 -10.6 -2.2 18 18 A K H X S+ 0 0 120 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.907 111.9 49.1 -58.9 -43.5 17.4 -9.6 1.4 19 19 A I H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.906 108.2 52.3 -64.7 -43.6 15.0 -6.6 1.2 20 20 A E H X S+ 0 0 28 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 110.1 50.1 -61.2 -37.4 12.1 -8.7 -0.1 21 21 A N H X S+ 0 0 96 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.860 109.5 50.3 -68.9 -37.1 12.7 -11.0 2.9 22 22 A E H X S+ 0 0 25 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.901 109.8 51.4 -62.8 -41.7 12.7 -8.1 5.4 23 23 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.910 106.7 53.6 -66.2 -42.3 9.4 -6.8 3.8 24 24 A A H X S+ 0 0 53 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.918 111.4 45.7 -53.3 -47.1 7.8 -10.3 4.2 25 25 A R H X S+ 0 0 128 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.895 111.6 51.4 -66.7 -40.6 8.7 -10.3 7.9 26 26 A I H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.925 108.3 52.4 -61.8 -45.5 7.5 -6.7 8.4 27 27 A K H X S+ 0 0 82 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.890 108.5 50.0 -58.7 -43.7 4.1 -7.5 6.8 28 28 A K H X S+ 0 0 141 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.916 114.2 43.7 -61.3 -46.4 3.6 -10.5 9.1 29 29 A L H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.901 111.8 53.7 -69.9 -41.4 4.3 -8.5 12.3 30 30 A L H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.920 106.3 53.3 -58.5 -41.4 2.2 -5.6 11.1 31 31 A Q H X S+ 0 0 109 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.898 107.7 51.5 -61.2 -35.0 -0.7 -8.0 10.5 32 32 A L H X S+ 0 0 38 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.901 108.8 50.5 -66.2 -40.2 -0.3 -9.2 14.2 33 33 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.903 107.7 52.7 -66.4 -40.2 -0.4 -5.5 15.4 34 34 A V H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.953 111.7 46.9 -56.8 -49.9 -3.6 -4.8 13.4 35 35 A W H X S+ 0 0 46 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.887 111.1 51.9 -57.5 -47.4 -5.2 -7.9 15.1 36 36 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.886 110.6 46.7 -60.6 -40.6 -4.0 -6.8 18.6 37 37 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.944 113.0 50.3 -66.2 -46.3 -5.4 -3.3 18.3 38 38 A K H X S+ 0 0 99 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.913 111.5 50.0 -53.4 -45.7 -8.7 -4.8 17.0 39 39 A Q H X S+ 0 0 14 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.936 110.1 47.6 -63.9 -50.7 -8.7 -7.2 20.0 40 40 A L H X>S+ 0 0 9 -4,-2.6 4,-1.8 1,-0.2 5,-0.6 0.900 113.8 48.4 -57.9 -44.6 -8.1 -4.5 22.6 41 41 A Q H X5S+ 0 0 23 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.943 115.4 43.9 -58.7 -49.6 -10.8 -2.3 21.1 42 42 A A H <5S+ 0 0 45 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 114.5 48.5 -63.5 -45.4 -13.3 -5.3 21.0 43 43 A R H <5S+ 0 0 156 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.827 127.9 19.8 -69.2 -33.4 -12.6 -6.6 24.5 44 44 A I H <5 0 0 83 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.843 360.0 360.0-106.2 -47.9 -12.8 -3.3 26.3 45 45 A L << 0 0 108 -4,-1.9 45,-0.0 -5,-0.6 41,-0.0 -0.507 360.0 360.0 -93.1 360.0 -14.8 -0.7 24.2 46 !* 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 47 1 B R > 0 0 166 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.0 27.2 -10.6 -22.3 48 2 B M H > + 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 360.0 57.5 -67.9 -35.9 26.1 -7.0 -22.8 49 3 B K H > S+ 0 0 131 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.931 105.1 50.4 -55.2 -48.7 22.5 -8.3 -23.4 50 4 B Q H > S+ 0 0 118 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 110.9 49.3 -60.1 -43.7 22.6 -10.0 -20.0 51 5 B I H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.918 113.1 46.0 -58.7 -47.6 23.7 -6.8 -18.3 52 6 B E H X S+ 0 0 68 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 115.1 47.0 -63.1 -46.7 21.0 -4.7 -20.0 53 7 B D H X S+ 0 0 57 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.928 112.4 49.4 -58.8 -47.8 18.3 -7.4 -19.2 54 8 B K H X S+ 0 0 57 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.845 108.4 53.5 -65.9 -34.6 19.4 -7.7 -15.5 55 9 B I H X S+ 0 0 15 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.941 108.8 49.2 -64.3 -46.5 19.4 -3.9 -15.1 56 10 B E H X S+ 0 0 130 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.890 111.2 49.9 -56.9 -41.6 15.8 -3.8 -16.4 57 11 B E H X S+ 0 0 123 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.895 110.9 49.6 -64.3 -41.2 14.8 -6.6 -13.9 58 12 B I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.921 110.1 49.8 -63.4 -46.6 16.4 -4.7 -11.0 59 13 B E H X S+ 0 0 61 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.891 112.5 47.8 -61.9 -41.3 14.6 -1.5 -11.9 60 14 B S H X S+ 0 0 85 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.899 112.1 48.9 -64.7 -45.2 11.3 -3.3 -12.1 61 15 B K H X S+ 0 0 65 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.855 108.3 55.2 -64.2 -33.0 11.9 -5.1 -8.7 62 16 B Q H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.871 107.8 48.0 -67.8 -38.7 12.9 -1.8 -7.1 63 17 B K H X S+ 0 0 134 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.893 110.2 52.7 -66.5 -41.4 9.5 -0.2 -8.2 64 18 B K H X S+ 0 0 102 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 112.0 45.9 -55.9 -49.8 7.8 -3.3 -6.8 65 19 B I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.912 110.3 52.0 -61.9 -46.3 9.6 -2.8 -3.5 66 20 B E H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 110.2 50.6 -59.0 -40.2 8.9 0.9 -3.3 67 21 B N H X S+ 0 0 89 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.915 110.1 48.3 -62.5 -46.2 5.2 0.2 -3.9 68 22 B E H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.902 111.6 51.4 -59.2 -43.9 5.2 -2.4 -1.0 69 23 B I H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.921 106.9 53.3 -59.8 -48.1 6.9 0.1 1.2 70 24 B A H X S+ 0 0 47 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.896 111.9 44.9 -49.6 -47.2 4.3 2.8 0.4 71 25 B R H X S+ 0 0 144 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.903 111.6 52.2 -70.9 -43.3 1.5 0.5 1.4 72 26 B I H X S+ 0 0 10 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.916 108.7 52.1 -56.8 -44.9 3.3 -0.7 4.6 73 27 B K H X S+ 0 0 99 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.877 107.8 50.1 -63.8 -40.0 3.8 3.0 5.6 74 28 B K H X S+ 0 0 158 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.930 113.3 45.4 -63.8 -45.8 0.1 3.9 5.2 75 29 B L H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.1 53.5 -66.3 -40.3 -1.0 0.9 7.3 76 30 B L H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 106.5 52.5 -59.4 -42.7 1.6 1.6 9.9 77 31 B Q H X S+ 0 0 107 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.904 107.9 52.3 -61.5 -38.8 0.4 5.2 10.2 78 32 B L H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.935 109.3 48.9 -58.3 -47.3 -3.2 3.8 10.8 79 33 B T H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.894 108.6 52.9 -65.3 -38.5 -1.9 1.5 13.6 80 34 B V H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.957 111.5 47.1 -57.1 -48.0 -0.1 4.4 15.3 81 35 B W H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 112.0 50.1 -59.9 -44.9 -3.4 6.4 15.2 82 36 B G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.899 109.9 49.7 -63.1 -41.6 -5.4 3.4 16.6 83 37 B I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.913 109.7 51.9 -63.4 -42.7 -3.0 2.9 19.4 84 38 B K H X S+ 0 0 96 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.912 110.9 48.2 -57.7 -44.7 -3.2 6.6 20.3 85 39 B Q H X S+ 0 0 34 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.872 111.9 48.7 -66.6 -38.5 -7.0 6.4 20.3 86 40 B L H X>S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.8 0.892 108.2 53.7 -70.9 -39.0 -7.0 3.3 22.6 87 41 B Q H X5S+ 0 0 32 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.953 117.1 38.5 -57.7 -48.9 -4.5 4.8 25.1 88 42 B A H <5S+ 0 0 66 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.923 121.7 41.9 -65.0 -48.1 -6.8 7.9 25.4 89 43 B R H <5S+ 0 0 157 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.833 126.1 30.1 -80.5 -32.7 -10.2 6.0 25.3 90 44 B I H <5 0 0 36 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.918 360.0 360.0 -87.3 -55.3 -9.3 3.0 27.5 91 45 B L << 0 0 100 -4,-1.1 41,-0.0 -5,-0.8 45,-0.0 -0.333 360.0 360.0 -89.3 360.0 -6.7 4.4 30.0 92 !* 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 93 1 C R > 0 0 157 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.3 28.6 3.8 -23.0 94 2 C M H > + 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.920 360.0 50.3 -60.4 -43.2 30.4 2.1 -20.1 95 3 C K H > S+ 0 0 124 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.876 104.7 57.1 -62.1 -39.4 29.8 5.3 -18.1 96 4 C Q H > S+ 0 0 142 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 111.7 42.3 -58.4 -42.5 26.1 5.3 -19.0 97 5 C I H X S+ 0 0 9 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.946 114.5 51.0 -68.5 -47.8 25.7 1.8 -17.5 98 6 C E H X S+ 0 0 51 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.870 109.3 50.7 -54.1 -42.6 28.0 2.7 -14.5 99 7 C D H X S+ 0 0 64 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.873 109.6 51.3 -63.0 -40.2 25.8 5.8 -13.8 100 8 C K H X S+ 0 0 58 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.946 110.0 48.9 -61.7 -48.6 22.7 3.7 -13.9 101 9 C I H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.909 110.1 51.6 -57.9 -45.8 24.2 1.2 -11.5 102 10 C E H X S+ 0 0 121 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.908 109.8 49.9 -54.5 -47.5 25.1 4.1 -9.2 103 11 C E H X S+ 0 0 116 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.894 112.4 47.0 -58.8 -45.3 21.5 5.4 -9.3 104 12 C I H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.938 112.5 49.2 -62.1 -48.9 20.2 2.0 -8.5 105 13 C E H X S+ 0 0 26 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.893 111.4 50.0 -58.3 -42.3 22.7 1.5 -5.6 106 14 C S H X S+ 0 0 52 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.892 111.6 48.1 -62.4 -42.0 21.7 5.0 -4.2 107 15 C K H X S+ 0 0 82 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.887 109.5 53.6 -67.8 -38.7 18.0 4.1 -4.4 108 16 C Q H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.865 106.8 51.4 -63.2 -39.9 18.7 0.8 -2.7 109 17 C K H X S+ 0 0 113 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.902 109.5 49.8 -62.3 -42.8 20.5 2.6 0.2 110 18 C K H X S+ 0 0 113 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.923 111.4 49.7 -63.0 -43.5 17.5 5.0 0.6 111 19 C I H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.888 109.7 50.2 -58.9 -44.8 15.2 1.9 0.6 112 20 C E H X S+ 0 0 54 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.909 111.0 49.8 -60.6 -40.2 17.4 0.2 3.3 113 21 C N H X S+ 0 0 97 -4,-2.4 4,-2.0 1,-0.2 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3,-1.5 -4,-0.4 4,-0.3 -0.849 66.4 148.9 108.6-129.5 -4.5 -16.8 23.0 145 7 H X G > S- 0 0 105 -2,-0.5 3,-1.3 1,-0.3 4,-0.3 0.915 102.6 -52.2 54.5 42.3 -2.5 -17.3 26.2 146 8 H X G 3 S- 0 0 80 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.487 110.7 -48.7 75.0 3.6 -2.4 -13.6 26.9 147 9 H X G X> S- 0 0 5 -3,-1.5 4,-2.5 -6,-0.3 3,-0.7 0.247 73.4-108.1 121.2 -8.5 -1.2 -12.8 23.4 148 10 H X H <> S- 0 0 90 -3,-1.3 4,-3.0 -4,-0.3 5,-0.2 0.879 75.8 -59.4 54.0 41.7 1.7 -15.3 23.2 149 11 H X H 3> S- 0 0 52 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.881 109.2 -43.9 55.1 38.6 4.3 -12.4 23.4 150 12 H X H <4 S- 0 0 0 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.933 110.8 -53.0 73.8 48.2 2.8 -10.9 20.3 151 13 H X H < S- 0 0 39 -4,-2.5 -2,-0.2 -10,-0.2 -1,-0.2 0.933 111.5 -48.8 44.3 50.9 2.6 -14.2 18.5 152 14 H X H < 0 0 89 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.824 360.0 360.0 61.9 37.3 6.3 -14.6 19.3 153 15 H X < 0 0 57 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.745 360.0 360.0 67.8 360.0 7.2 -11.1 18.1 154 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 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H 3> S- 0 0 52 -4,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.847 108.6 -44.5 59.1 34.2 -12.0 -2.4 9.9 166 12 K X H <4 S- 0 0 0 -3,-1.0 3,-0.4 2,-0.2 -2,-0.2 0.931 110.4 -53.7 78.3 48.4 -8.7 -0.4 10.4 167 13 K X H < S- 0 0 33 -4,-2.3 -2,-0.2 -10,-0.3 -1,-0.2 0.912 110.8 -47.7 43.4 50.7 -9.5 2.0 7.6 168 14 K X H < 0 0 77 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.756 360.0 360.0 68.8 29.0 -10.0 -1.1 5.3 169 15 K X < 0 0 53 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.786 360.0 360.0 68.0 360.0 -6.8 -2.7 6.5 170 !* 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 0.0 171 1 L X 0 0 174 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-115.3 11.6 1.1 30.0 172 2 L G > + 0 0 26 1,-0.0 3,-1.4 11,-0.0 4,-0.4 -0.318 360.0 87.6 94.4 179.2 10.7 2.0 26.4 173 3 L X G > S- 0 0 3 1,-0.3 3,-1.3 2,-0.2 6,-0.3 0.842 125.7 -58.2 58.2 37.1 8.3 4.5 24.9 174 4 L X G 3 S- 0 0 80 1,-0.2 -1,-0.3 9,-0.1 6,-0.1 0.675 100.3 -59.3 70.6 13.5 10.9 7.3 25.1 175 5 L X G < S- 0 0 100 -3,-1.4 2,-0.6 1,-0.1 -1,-0.2 0.527 94.6 -71.6 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