==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 01-JUL-13 4BWD . COMPND 2 MOLECULE: SHORT COILED-COIL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BEHRENS,B.BINOTTI,C.SCHMIDT,C.V.ROBINSON,J.J.CHUA,K.KUHNEL . 182 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 90.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 86.3 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+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 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 86 A V > 0 0 121 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.6 14.7 62.2 34.2 2 87 A D T 4 + 0 0 76 2,-0.2 4,-0.4 1,-0.1 5,-0.0 0.433 360.0 64.0 -95.8 -5.9 11.5 62.0 32.3 3 88 A A T 4 S+ 0 0 70 2,-0.2 4,-0.5 1,-0.1 -1,-0.1 0.572 100.2 51.8 -89.4 -13.8 13.6 62.4 29.1 4 89 A E T > S+ 0 0 57 2,-0.2 4,-2.1 3,-0.1 -2,-0.2 0.802 105.5 53.4 -87.2 -35.9 15.2 59.1 29.9 5 90 A N H X S+ 0 0 103 -4,-0.5 4,-1.2 1,-0.2 -2,-0.2 0.690 108.0 52.2 -70.4 -18.8 11.9 57.2 30.3 6 91 A Q H > S+ 0 0 137 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.707 107.7 50.5 -89.4 -25.6 10.8 58.5 26.9 7 92 A V H > S+ 0 0 70 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.910 114.0 45.0 -70.1 -45.6 14.0 57.2 25.2 8 93 A E H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.857 112.8 51.5 -67.9 -36.1 13.4 53.8 26.9 9 94 A L H X S+ 0 0 49 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.885 111.0 46.8 -66.5 -41.1 9.8 53.9 25.9 10 95 A E H X S+ 0 0 122 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.849 111.6 52.8 -68.5 -34.0 10.6 54.7 22.3 11 96 A E H X S+ 0 0 70 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.900 109.9 46.5 -68.3 -43.3 13.2 51.9 22.3 12 97 A K H X S+ 0 0 16 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.848 108.6 57.0 -65.8 -36.8 10.8 49.3 23.6 13 98 A T H X S+ 0 0 42 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.914 106.2 49.9 -60.4 -42.7 8.2 50.5 21.0 14 99 A R H X S+ 0 0 146 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.845 112.3 47.0 -65.6 -33.3 10.7 49.8 18.2 15 100 A L H X S+ 0 0 30 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.865 109.4 54.4 -77.1 -35.1 11.4 46.3 19.6 16 101 A I H X S+ 0 0 10 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.904 107.0 49.9 -65.6 -42.4 7.7 45.6 20.0 17 102 A N H X S+ 0 0 85 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.912 108.8 54.4 -60.6 -40.5 7.0 46.4 16.3 18 103 A Q H X S+ 0 0 64 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.902 105.9 50.5 -60.8 -44.4 9.8 44.1 15.4 19 104 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.892 112.0 50.1 -58.4 -39.6 8.3 41.2 17.3 20 105 A M H X S+ 0 0 53 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.923 113.0 43.2 -67.1 -46.7 5.0 41.9 15.5 21 106 A E H X S+ 0 0 127 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.858 113.5 52.5 -65.4 -38.1 6.5 42.0 12.1 22 107 A L H X S+ 0 0 23 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.926 109.7 48.5 -66.0 -42.0 8.7 38.9 12.8 23 108 A Q H X S+ 0 0 35 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.839 114.0 46.7 -69.4 -34.8 5.7 36.9 13.9 24 109 A H H >X S+ 0 0 108 -4,-1.7 4,-2.4 2,-0.2 3,-0.5 0.955 111.7 49.5 -68.8 -52.0 3.7 37.9 10.8 25 110 A T H 3X S+ 0 0 70 -4,-2.9 4,-1.6 1,-0.3 -2,-0.2 0.882 111.9 51.5 -51.1 -38.0 6.6 37.2 8.4 26 111 A L H 3X S+ 0 0 26 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.3 0.812 109.1 49.6 -74.0 -29.6 6.9 33.8 10.2 27 112 A E H X S+ 0 0 29 -4,-0.5 4,-2.0 1,-0.2 3,-0.8 0.921 84.8 46.6 -66.0 -51.7 5.3 25.5 3.5 34 119 A D H 3> S+ 0 0 120 -4,-0.4 4,-1.7 1,-0.3 -1,-0.2 0.820 109.1 55.8 -63.9 -31.4 3.0 22.6 2.6 35 120 A A H 3> S+ 0 0 70 -4,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.760 109.4 48.9 -70.7 -22.9 2.3 24.0 -0.9 36 121 A V H X S+ 0 0 122 -4,-1.7 4,-2.6 2,-0.2 3,-0.5 0.970 110.4 48.4 -59.9 -57.2 5.0 16.5 -8.0 43 128 A L H 3X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.788 109.7 52.6 -56.1 -34.8 8.1 17.6 -9.8 44 129 A K H 3X S+ 0 0 73 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.3 0.841 110.8 48.3 -71.1 -32.9 10.0 14.6 -8.5 45 130 A S H < S+ 0 0 48 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.938 112.6 48.0 -59.3 -46.9 12.2 5.5 -26.5 58 143 A M H >< S+ 0 0 106 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.782 107.8 54.0 -68.7 -27.6 16.0 5.4 -26.7 59 144 A S H 3< S+ 0 0 93 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.665 95.5 69.3 -81.6 -14.7 16.2 1.6 -26.2 60 145 A A T << 0 0 87 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.482 360.0 360.0 -79.6 -2.0 13.7 1.2 -29.1 61 146 A S < 0 0 123 -3,-1.0 -3,-0.0 -4,-0.1 0, 0.0 -0.771 360.0 360.0-107.4 360.0 16.5 2.4 -31.4 62 !* 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 63 88 B A > 0 0 120 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.1 16.7 47.8 42.2 64 89 B E H > + 0 0 86 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.759 360.0 55.0 -77.1 -26.3 13.8 49.4 40.2 65 90 B N H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.783 103.3 56.7 -74.1 -27.7 16.2 50.0 37.3 66 91 B Q H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.822 104.0 53.5 -68.9 -33.1 17.0 46.2 37.5 67 92 B V H X S+ 0 0 73 -4,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.879 107.9 48.3 -72.4 -37.3 13.3 45.4 37.0 68 93 B E H X S+ 0 0 63 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.858 109.9 53.1 -71.5 -33.3 13.0 47.5 33.9 69 94 B L H X S+ 0 0 104 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.795 105.5 53.3 -72.2 -29.0 16.1 46.0 32.4 70 95 B E H X S+ 0 0 89 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.882 108.8 50.7 -69.8 -38.7 14.7 42.4 32.9 71 96 B E H X S+ 0 0 32 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.906 111.1 47.6 -63.1 -43.6 11.6 43.5 31.0 72 97 B K H X S+ 0 0 40 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.864 110.3 53.7 -66.7 -34.8 13.7 44.8 28.2 73 98 B T H X S+ 0 0 77 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.835 106.1 50.4 -70.8 -33.6 15.7 41.6 28.2 74 99 B R H X S+ 0 0 82 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.837 113.8 48.6 -71.0 -29.1 12.7 39.4 27.9 75 100 B L H X S+ 0 0 9 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.912 111.4 46.5 -74.9 -47.5 11.7 41.6 25.0 76 101 B I H X S+ 0 0 67 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.887 110.1 55.4 -58.8 -39.5 15.1 41.5 23.3 77 102 B N H X S+ 0 0 67 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.834 103.9 54.5 -64.0 -32.2 15.1 37.7 23.8 78 103 B Q H X S+ 0 0 7 -4,-1.0 4,-2.2 -3,-0.2 -1,-0.2 0.913 108.5 48.2 -68.1 -48.0 11.8 37.5 22.0 79 104 B V H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.937 112.8 48.7 -54.2 -51.0 13.2 39.3 19.0 80 105 B M H X S+ 0 0 104 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 112.2 47.4 -61.8 -43.8 16.3 37.1 18.9 81 106 B E H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.866 112.0 50.1 -64.8 -37.8 14.4 33.9 19.2 82 107 B L H X S+ 0 0 18 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.908 111.1 49.4 -68.6 -37.7 12.0 35.0 16.4 83 108 B Q H X S+ 0 0 84 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 111.7 49.4 -64.4 -40.7 14.9 35.9 14.2 84 109 B H H X S+ 0 0 120 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.946 112.4 46.1 -63.0 -50.2 16.5 32.5 14.9 85 110 B T H X S+ 0 0 53 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.884 116.1 46.2 -57.9 -44.3 13.3 30.5 14.1 86 111 B L H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.838 109.7 53.1 -70.9 -35.0 12.7 32.6 10.9 87 112 B E H X S+ 0 0 57 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.929 113.3 44.6 -67.9 -42.7 16.3 32.3 9.7 88 113 B D H X S+ 0 0 73 -4,-2.2 4,-2.3 -5,-0.2 3,-0.4 0.966 115.4 45.9 -61.5 -56.7 16.1 28.5 10.0 89 114 B L H X S+ 0 0 41 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.922 112.8 48.9 -57.7 -48.5 12.7 28.1 8.4 90 115 B S H X S+ 0 0 39 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.782 109.4 53.7 -68.3 -22.9 13.4 30.4 5.5 91 116 B A H X S+ 0 0 59 -4,-1.3 4,-1.6 -3,-0.4 -1,-0.2 0.939 110.6 47.0 -70.0 -47.7 16.7 28.6 4.9 92 117 B R H X S+ 0 0 176 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.918 114.3 45.7 -54.9 -49.9 14.8 25.3 4.8 93 118 B V H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.878 110.1 54.3 -67.6 -35.8 12.1 26.6 2.4 94 119 B D H X S+ 0 0 97 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.816 105.2 54.3 -68.0 -29.7 14.7 28.3 0.2 95 120 B A H X S+ 0 0 63 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.971 112.4 43.1 -63.8 -52.7 16.5 25.0 -0.2 96 121 B V H X S+ 0 0 39 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.885 114.0 50.5 -60.1 -42.6 13.3 23.3 -1.4 97 122 B K H X S+ 0 0 87 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.853 109.2 52.1 -65.6 -34.0 12.3 26.2 -3.6 98 123 B E H X S+ 0 0 59 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.906 110.4 47.9 -69.1 -40.0 15.8 26.1 -5.2 99 124 B E H X S+ 0 0 73 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.847 107.9 55.8 -66.7 -33.5 15.4 22.4 -5.9 100 125 B N H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.943 107.6 48.9 -63.1 -45.2 11.9 23.0 -7.4 101 126 B L H X S+ 0 0 123 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.868 110.6 50.8 -60.5 -38.6 13.4 25.5 -9.8 102 127 B K H X S+ 0 0 127 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.905 111.8 47.9 -65.9 -41.8 16.1 23.0 -10.8 103 128 B L H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.814 110.3 50.2 -70.3 -34.1 13.4 20.3 -11.4 104 129 B K H X S+ 0 0 99 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.886 112.3 48.6 -67.9 -38.5 11.2 22.6 -13.5 105 130 B S H X S+ 0 0 71 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.942 114.5 45.9 -66.1 -45.2 14.2 23.5 -15.6 106 131 B E H X S+ 0 0 77 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.818 110.0 52.0 -67.4 -36.0 15.1 19.8 -15.9 107 132 B N H X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.837 106.2 55.5 -71.7 -30.3 11.6 18.6 -16.7 108 133 B Q H X S+ 0 0 136 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.892 108.2 48.6 -67.4 -37.1 11.4 21.2 -19.5 109 134 B V H X S+ 0 0 85 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.919 114.2 44.7 -67.7 -45.5 14.6 19.7 -21.0 110 135 B L H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 114.2 50.4 -64.0 -44.2 13.3 16.2 -20.8 111 136 B G H X S+ 0 0 23 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.930 110.1 48.9 -58.9 -49.0 9.9 17.2 -22.2 112 137 B Q H < S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 110.8 51.7 -61.2 -33.5 11.4 19.1 -25.1 113 138 B Y H >X S+ 0 0 95 -4,-1.6 4,-1.7 2,-0.2 3,-0.8 0.872 109.2 49.5 -74.4 -36.6 13.6 16.1 -25.9 114 139 B I H 3X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 3,-0.4 0.968 107.5 52.9 -63.4 -52.4 10.6 13.7 -25.9 115 140 B E H 3< S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.463 111.6 50.1 -66.3 3.2 8.6 15.9 -28.2 116 141 B N H <4 S+ 0 0 89 -3,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.732 108.4 47.4-105.2 -40.5 11.6 15.9 -30.6 117 142 B L H X S+ 0 0 57 -4,-1.7 4,-0.8 -3,-0.4 3,-0.3 0.792 119.2 43.2 -68.8 -31.1 12.2 12.2 -30.7 118 143 B M T < S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.799 110.0 55.2 -83.8 -32.5 8.5 11.7 -31.3 119 144 B S T 4 S+ 0 0 84 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.288 107.0 53.8 -83.5 9.3 8.3 14.6 -33.8 120 145 B A T 4 S+ 0 0 82 -3,-0.3 -1,-0.2 1,-0.0 -2,-0.2 0.661 107.9 46.3-108.0 -33.4 11.0 12.9 -35.8 121 146 B S < 0 0 107 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.172 360.0 360.0 -93.9 16.5 9.3 9.5 -36.1 122 147 B S 0 0 127 -5,-0.0 -1,-0.2 -4,-0.0 -4,-0.1 -0.226 360.0 360.0-114.4 360.0 6.0 11.2 -37.1 123 !* 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 0.0 124 86 C V 0 0 106 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.7 3.7 -30.1 20.1 125 87 C D + 0 0 107 2,-0.1 0, 0.0 3,-0.1 0, 0.0 0.549 360.0 17.8 -98.2 -12.4 5.4 -30.2 16.7 126 88 C A S > S+ 0 0 84 3,-0.0 4,-0.5 2,-0.0 -1,-0.1 0.366 125.4 56.2-133.3 -8.2 2.5 -28.6 14.9 127 89 C E H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.663 95.1 63.7-101.5 -24.9 0.6 -27.2 17.9 128 90 C N H 4 S+ 0 0 56 1,-0.2 -1,-0.1 -4,-0.2 4,-0.1 0.449 97.3 65.7 -75.4 -0.0 3.4 -25.1 19.2 129 91 C Q H >> S+ 0 0 56 2,-0.2 4,-3.1 3,-0.1 3,-0.7 0.929 103.5 37.5 -83.9 -55.6 3.0 -23.3 15.9 130 92 C V H 3X S+ 0 0 53 -4,-0.5 4,-3.2 1,-0.3 5,-0.3 0.890 114.4 57.2 -65.2 -38.8 -0.5 -21.8 16.4 131 93 C E H 3X S+ 0 0 67 -4,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.740 114.3 40.4 -58.8 -24.3 0.3 -21.1 20.0 132 94 C L H <> S+ 0 0 117 -3,-0.7 4,-1.4 2,-0.2 -2,-0.3 0.804 113.9 51.6 -92.3 -36.9 3.3 -19.1 18.6 133 95 C E H X S+ 0 0 147 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.864 111.4 47.8 -67.9 -37.7 1.3 -17.5 15.7 134 96 C E H X S+ 0 0 60 -4,-3.2 4,-1.9 2,-0.2 3,-0.3 0.959 113.0 47.7 -65.1 -50.1 -1.4 -16.3 18.1 135 97 C K H X S+ 0 0 41 -4,-0.8 4,-1.9 -5,-0.3 -2,-0.2 0.740 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