==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 15-FEB-10 3LT7 . COMPND 2 MOLECULE: ADHESIN YADA; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR K.ZETH,B.HERNANDEZ-ALVAREZ,A.N.LUPAS . 347 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 93.9 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 . 2 0.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 91.4 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 6 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 -7 A K 0 0 234 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.1 -11.2 19.1 45.1 2 -6 A S > + 0 0 51 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.977 360.0 62.6-158.7 -4.9 -11.1 16.4 43.9 3 -5 A S H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.948 115.5 45.6 -63.7 -48.3 -13.1 13.2 43.8 4 -4 A H H > S+ 0 0 136 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.691 114.5 53.1 -67.1 -17.8 -15.9 14.9 41.9 5 -3 A T H > S+ 0 0 28 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.968 108.7 43.7 -81.7 -64.2 -13.2 16.4 39.8 6 -2 A L H X S+ 0 0 47 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.918 116.1 52.9 -39.2 -52.2 -11.4 13.2 38.8 7 -1 A K H X S+ 0 0 142 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.951 110.9 43.5 -56.5 -54.9 -15.0 11.8 38.2 8 0 A T H X S+ 0 0 59 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.928 115.1 49.9 -55.6 -48.8 -16.1 14.7 35.9 9 1 A A H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 3,-0.4 0.919 108.2 53.2 -58.0 -43.1 -12.7 14.6 34.0 10 2 A N H X S+ 0 0 31 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.914 107.4 51.6 -58.7 -46.6 -13.0 10.8 33.5 11 3 A S H X S+ 0 0 72 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.751 109.0 50.7 -56.8 -35.2 -16.5 11.3 32.0 12 4 A Y H X S+ 0 0 85 -4,-1.5 4,-2.7 -3,-0.4 5,-0.4 0.973 110.1 48.7 -68.5 -61.7 -15.1 13.9 29.6 13 5 A T H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.843 110.8 55.4 -34.4 -38.3 -12.3 11.5 28.5 14 6 A D H X S+ 0 0 68 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.970 112.5 35.9 -75.4 -53.7 -14.9 8.8 28.1 15 7 A V H X S+ 0 0 76 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.925 120.9 48.7 -60.6 -46.8 -17.2 10.6 25.7 16 8 A T H X S+ 0 0 24 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.901 113.3 44.5 -60.9 -47.7 -14.4 12.3 23.8 17 9 A V H X S+ 0 0 8 -4,-2.2 4,-2.1 -5,-0.4 3,-0.5 0.943 112.0 52.2 -70.4 -46.4 -12.3 9.3 23.3 18 10 A S H X S+ 0 0 44 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.830 108.9 51.3 -55.6 -39.0 -15.3 7.2 22.3 19 11 A N H X S+ 0 0 92 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.744 108.6 53.5 -71.7 -26.8 -16.3 9.8 19.6 20 12 A S H X S+ 0 0 7 -4,-1.4 4,-2.7 -3,-0.5 5,-0.3 0.893 104.1 52.5 -70.1 -43.4 -12.8 9.7 18.4 21 13 A T H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.983 113.0 46.2 -57.2 -54.2 -12.7 5.9 17.9 22 14 A K H X S+ 0 0 117 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.854 112.6 50.4 -56.0 -38.1 -15.9 6.2 15.8 23 15 A K H X S+ 0 0 97 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.912 110.0 48.7 -65.3 -47.8 -14.5 9.2 13.8 24 16 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.916 112.4 49.8 -56.8 -43.8 -11.2 7.4 13.0 25 17 A I H X S+ 0 0 18 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.921 111.8 46.4 -70.0 -43.0 -13.1 4.4 11.9 26 18 A R H X S+ 0 0 153 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.921 115.0 48.4 -59.3 -47.1 -15.5 6.4 9.6 27 19 A E H X S+ 0 0 83 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.897 114.1 44.2 -61.9 -46.1 -12.6 8.3 8.1 28 20 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.883 113.5 51.8 -65.3 -43.2 -10.5 5.2 7.4 29 21 A N H X S+ 0 0 33 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.889 107.5 52.4 -60.8 -41.7 -13.5 3.3 6.0 30 22 A Q H X S+ 0 0 113 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.970 109.7 48.8 -56.7 -52.6 -14.3 6.2 3.7 31 23 A Y H X S+ 0 0 55 -4,-1.9 4,-2.7 1,-0.3 -2,-0.2 0.866 108.9 53.8 -51.5 -42.6 -10.7 6.1 2.4 32 24 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.900 108.3 48.8 -63.2 -46.0 -10.9 2.4 1.9 33 25 A D H X S+ 0 0 54 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.877 110.3 51.8 -56.4 -41.9 -14.1 2.9 -0.2 34 26 A H H X S+ 0 0 107 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.935 116.3 39.8 -61.6 -48.9 -12.3 5.6 -2.3 35 27 A K H >X S+ 0 0 47 -4,-2.7 4,-1.0 1,-0.2 3,-0.7 0.913 115.5 49.6 -67.4 -43.9 -9.3 3.3 -3.0 36 28 A F H 3X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.733 100.6 65.2 -75.9 -18.1 -11.3 0.1 -3.5 37 29 A H H 3X S+ 0 0 103 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.832 99.2 55.0 -59.7 -39.5 -13.7 1.8 -6.0 38 30 A Q H > 0 0 197 0, 0.0 4,-1.6 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0-167.2 -2.5 14.3 42.7 57 -3 B T H 3> + 0 0 25 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.798 360.0 59.0 -63.9 -31.8 -5.9 14.4 40.9 58 -2 B L H 3> S+ 0 0 51 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.670 106.4 51.0 -69.7 -14.3 -4.3 15.7 37.8 59 -1 B K H <> S+ 0 0 152 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.845 110.5 44.3 -91.3 -39.0 -2.2 12.4 37.8 60 0 B T H X S+ 0 0 87 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.943 117.7 45.3 -72.7 -47.4 -5.1 9.9 38.2 61 1 B A H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.815 114.4 49.6 -60.4 -33.4 -7.2 11.7 35.5 62 2 B N H X S+ 0 0 28 -4,-0.5 4,-1.7 -5,-0.2 -2,-0.2 0.902 111.7 45.6 -76.4 -38.1 -4.2 12.1 33.2 63 3 B S H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.733 112.2 53.7 -68.5 -31.2 -3.1 8.3 33.4 64 4 B Y H X S+ 0 0 77 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.975 109.3 48.2 -67.0 -52.4 -6.8 7.4 32.9 65 5 B T H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.810 112.0 48.9 -54.9 -37.7 -6.8 9.6 29.8 66 6 B D H X S+ 0 0 32 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.894 112.2 47.6 -70.6 -39.3 -3.6 8.0 28.5 67 7 B V H X S+ 0 0 86 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.941 115.7 44.0 -66.5 -50.9 -4.8 4.4 29.0 68 8 B T H X S+ 0 0 31 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.835 113.9 50.7 -61.2 -36.0 -8.2 5.0 27.4 69 9 B V H X S+ 0 0 5 -4,-1.6 4,-3.0 -5,-0.3 3,-0.4 0.977 110.6 50.9 -66.6 -51.9 -6.5 6.9 24.5 70 10 B S H X S+ 0 0 39 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.883 111.0 46.0 -42.6 -53.8 -4.1 4.0 24.1 71 11 B N H X S+ 0 0 99 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.816 113.0 52.8 -65.6 -25.7 -6.9 1.4 23.9 72 12 B S H X S+ 0 0 6 -4,-1.3 4,-3.1 -3,-0.4 5,-0.3 0.962 104.6 52.0 -75.9 -53.5 -8.8 3.6 21.5 73 13 B T H X S+ 0 0 11 -4,-3.0 4,-2.1 1,-0.3 5,-0.2 0.878 113.8 45.2 -51.7 -48.2 -6.0 4.0 19.0 74 14 B K H X S+ 0 0 129 -4,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.872 112.7 50.7 -62.0 -44.4 -5.6 0.2 18.9 75 15 B K H X S+ 0 0 91 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.916 110.4 49.7 -62.8 -43.3 -9.4 -0.4 18.6 76 16 B A H X S+ 0 0 1 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.950 112.9 45.2 -64.2 -48.5 -9.7 2.1 15.7 77 17 B I H X S+ 0 0 27 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.912 114.9 50.1 -61.3 -36.0 -6.9 0.7 13.7 78 18 B R H X S+ 0 0 143 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.955 113.7 42.3 -73.1 -51.6 -8.2 -2.9 14.4 79 19 B E H X S+ 0 0 84 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.844 114.9 50.5 -56.2 -42.9 -11.8 -2.2 13.3 80 20 B S H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.944 109.4 50.8 -67.7 -40.7 -10.8 -0.2 10.3 81 21 B N H X S+ 0 0 30 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.884 105.9 56.1 -64.6 -33.3 -8.4 -2.9 9.1 82 22 B Q H X S+ 0 0 92 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.877 106.9 51.4 -60.5 -38.9 -11.2 -5.5 9.5 83 23 B Y H X S+ 0 0 63 -4,-1.6 4,-2.2 1,-0.2 3,-0.2 0.961 111.4 45.3 -61.1 -54.4 -13.2 -3.3 7.2 84 24 B T H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.845 110.9 55.0 -55.6 -42.7 -10.4 -3.3 4.6 85 25 B D H X S+ 0 0 47 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.853 108.2 48.2 -58.1 -42.5 -9.9 -7.0 5.0 86 26 B H H X S+ 0 0 127 -4,-1.9 4,-2.2 -3,-0.2 -2,-0.2 0.953 113.2 46.1 -69.2 -48.0 -13.5 -7.8 4.2 87 27 B K H X S+ 0 0 59 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.826 112.6 52.5 -61.8 -34.1 -13.6 -5.5 1.1 88 28 B F H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.917 108.8 48.7 -68.0 -48.8 -10.2 -7.1 0.0 89 29 B H H X S+ 0 0 98 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.931 108.8 53.7 -52.1 -51.2 -11.5 -10.6 0.3 90 30 B Q H X S+ 0 0 122 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.911 114.1 42.1 -51.3 -46.0 -14.7 -9.7 -1.7 91 31 B L H X S+ 0 0 6 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.845 110.1 55.9 -76.9 -32.5 -12.5 -8.3 -4.5 92 32 B E H X S+ 0 0 56 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.827 107.1 53.3 -59.6 -41.1 -10.0 -11.3 -4.2 93 33 B N H X S+ 0 0 88 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.894 107.6 47.9 -56.4 -47.8 -13.1 -13.5 -4.8 94 34 B R H X S+ 0 0 67 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.827 113.9 49.2 -68.4 -33.5 -14.1 -11.6 -8.0 95 35 B L H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.895 106.1 54.3 -69.5 -47.5 -10.5 -11.8 -9.2 96 36 B D H X S+ 0 0 64 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.955 109.6 48.0 -54.1 -58.6 -10.0 -15.6 -8.6 97 37 B K H X S+ 0 0 142 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.906 114.3 45.8 -45.7 -54.6 -13.2 -16.4 -10.7 98 38 B L H X S+ 0 0 8 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.868 111.6 52.3 -58.9 -42.3 -12.0 -14.1 -13.6 99 39 B E H X S+ 0 0 40 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.937 110.2 49.7 -54.2 -52.8 -8.5 -15.6 -13.4 100 40 B K H X S+ 0 0 128 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.899 110.8 47.0 -55.3 -50.2 -9.9 -19.1 -13.7 101 41 B R H X S+ 0 0 125 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.948 113.2 50.0 -62.8 -48.2 -12.2 -18.3 -16.7 102 42 B L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.925 109.9 49.7 -54.1 -46.8 -9.3 -16.6 -18.5 103 43 B L H X S+ 0 0 72 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.934 113.0 48.2 -60.0 -45.8 -6.9 -19.6 -17.8 104 44 B K H X S+ 0 0 135 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.818 112.0 48.8 -55.5 -42.7 -9.7 -21.9 -19.2 105 45 B L H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.794 109.6 51.2 -77.5 -31.6 -10.2 -19.7 -22.3 106 46 B L H X S+ 0 0 28 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.825 110.1 51.4 -67.5 -35.9 -6.5 -19.6 -23.0 107 47 B A H X S+ 0 0 62 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.924 113.8 42.4 -68.1 -46.9 -6.3 -23.4 -22.7 108 48 B S H X S+ 0 0 65 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.959 116.9 46.6 -66.6 -51.3 -9.2 -23.9 -25.2 109 49 B S H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.856 113.7 48.3 -55.4 -44.4 -8.0 -21.1 -27.7 110 50 B A H X S+ 0 0 54 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.962 113.7 46.9 -62.2 -49.9 -4.3 -22.4 -27.6 111 51 B A H X S+ 0 0 53 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.874 112.0 50.7 -59.2 -39.8 -5.5 -26.0 -28.2 112 52 B L H < S+ 0 0 103 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.871 111.5 49.9 -64.2 -37.7 -7.8 -24.8 -31.0 113 53 B N H < S+ 0 0 60 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.936 110.4 46.3 -66.0 -50.8 -4.8 -22.9 -32.5 114 54 B S H < 0 0 99 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 360.0 360.0 -60.9 -35.0 -2.4 -25.9 -32.5 115 55 B L < 0 0 179 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.740 360.0 360.0 -66.8 360.0 -5.1 -28.2 -33.9 116 !* 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 0.0 117 -4 C H > 0 0 121 0, 0.0 4,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.9 -7.6 24.9 37.3 118 -3 C T H > + 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.937 360.0 50.5 -73.5 -51.1 -7.1 21.1 37.5 119 -2 C L H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 110.6 51.2 -54.4 -46.2 -10.3 20.1 35.7 120 -1 C K H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 110.7 50.4 -57.3 -42.6 -9.4 22.5 32.9 121 0 C T H X S+ 0 0 61 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.858 111.5 46.0 -65.5 -42.7 -5.9 20.9 32.8 122 1 C A H >X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 3,-0.8 0.997 114.0 48.2 -59.5 -65.4 -7.3 17.3 32.6 123 2 C N H 3X S+ 0 0 36 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.806 111.6 49.0 -43.2 -43.3 -9.8 18.1 29.8 124 3 C S H 3X S+ 0 0 55 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.812 109.4 52.0 -78.6 -24.8 -7.3 20.0 27.7 125 4 C Y H > + 0 0 63 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.932 360.0 43.7-139.3 -30.2 8.2 -10.4 -40.6 179 -5 D S H 3> S+ 0 0 101 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.746 117.9 54.7 -60.0 -23.3 6.7 -7.0 -40.0 180 -4 D H H 3> S+ 0 0 136 2,-0.2 4,-2.3 3,-0.1 -1,-0.3 0.859 105.0 53.6 -69.2 -41.5 3.9 -8.8 -38.2 181 -3 D T H <> S+ 0 0 26 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.910 110.6 45.9 -59.4 -47.0 6.6 -10.5 -36.0 182 -2 D L H X S+ 0 0 46 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.928 111.9 52.3 -59.1 -44.4 8.0 -7.1 -35.0 183 -1 D K H X S+ 0 0 132 -4,-1.5 4,-1.6 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