==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-DEC-12 3ZE5 . COMPND 2 MOLECULE: DIACYLGLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR D.LI,L.VOGELEY,V.E.PYE,J.A.LYONS,D.ARAGAO,M.CAFFREY . 335 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 84.8 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 80.3 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 1 0 0 0 0 0 1 0 2 2 0 0 0 0 0 0 0 2 0 4 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 F > 0 0 218 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -2.8 -70.8 34.6 18.1 2 8 A T H > + 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.858 360.0 58.8 -63.3 -39.7 -71.0 32.4 15.0 3 9 A R H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.848 104.5 53.8 -58.8 -35.3 -67.2 32.5 14.3 4 10 A I H > S+ 0 0 88 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.906 109.1 45.5 -66.2 -45.0 -66.7 30.9 17.7 5 11 A I H X S+ 0 0 114 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.837 113.7 51.5 -69.4 -33.3 -69.1 28.0 17.1 6 12 A K H X S+ 0 0 117 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.955 112.1 45.2 -64.2 -51.5 -67.5 27.5 13.7 7 13 A A H X S+ 0 0 25 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.905 113.3 49.6 -59.7 -45.1 -64.0 27.4 15.1 8 14 A A H X S+ 0 0 49 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.858 108.6 54.3 -63.5 -36.2 -65.1 25.1 17.9 9 15 A G H X S+ 0 0 39 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 108.0 48.8 -60.8 -46.5 -66.7 22.9 15.3 10 16 A Y H X S+ 0 0 102 -4,-2.4 4,-2.5 1,-0.2 200,-0.2 0.897 110.4 52.9 -57.9 -41.7 -63.4 22.7 13.4 11 17 A S H X S+ 0 0 7 -4,-2.2 4,-2.4 198,-0.2 -2,-0.2 0.889 110.7 44.9 -63.6 -42.2 -61.7 21.9 16.7 12 18 A W H X S+ 0 0 156 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.855 110.7 54.5 -71.2 -35.2 -64.0 19.0 17.5 13 19 A K H X S+ 0 0 119 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.943 112.2 45.1 -59.6 -47.5 -63.7 17.7 13.9 14 20 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 192,-0.3 -2,-0.2 0.897 113.5 48.9 -61.4 -44.8 -60.0 17.7 14.4 15 21 A L H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.911 113.1 45.7 -64.8 -46.1 -60.1 16.0 17.8 16 22 A R H X S+ 0 0 149 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.894 112.9 53.1 -62.5 -40.6 -62.5 13.3 16.7 17 23 A A H X S+ 0 0 32 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.930 110.8 45.2 -59.0 -49.0 -60.3 12.8 13.6 18 24 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 7,-0.2 0.875 112.7 51.9 -64.1 -39.7 -57.1 12.4 15.7 19 25 A W H < S+ 0 0 121 -4,-2.3 7,-0.2 2,-0.2 -2,-0.2 0.937 114.7 41.4 -62.6 -48.5 -58.9 10.1 18.1 20 26 A I H < S+ 0 0 102 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.914 125.8 33.8 -65.5 -43.0 -60.1 7.8 15.4 21 27 A N H < S+ 0 0 125 -4,-2.6 2,-0.6 -5,-0.2 -2,-0.2 0.814 109.9 60.7 -87.3 -33.4 -56.9 7.9 13.3 22 28 A E X - 0 0 49 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.1 -0.873 50.7-171.8-110.5 119.6 -54.1 8.1 15.9 23 29 A A H > S+ 0 0 52 -2,-0.6 4,-2.5 2,-0.2 5,-0.2 0.900 89.9 56.0 -70.7 -43.3 -53.5 5.4 18.5 24 30 A A H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.848 105.3 54.6 -57.9 -35.0 -50.9 7.4 20.4 25 31 A F H > S+ 0 0 9 -7,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 105.9 50.3 -66.8 -41.5 -53.4 10.2 20.7 26 32 A R H X S+ 0 0 90 -4,-1.3 4,-2.6 -8,-0.2 -2,-0.2 0.935 110.8 50.2 -59.9 -46.0 -55.9 7.8 22.3 27 33 A Q H X S+ 0 0 146 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.858 110.0 51.2 -58.4 -36.7 -53.2 6.7 24.7 28 34 A E H X S+ 0 0 21 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.811 108.2 50.7 -73.0 -31.3 -52.5 10.4 25.5 29 35 A G H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.933 110.6 48.9 -69.2 -47.3 -56.2 11.1 26.2 30 36 A V H X S+ 0 0 77 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 111.0 52.3 -52.3 -45.3 -56.3 8.1 28.5 31 37 A A H X S+ 0 0 42 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.860 108.7 50.2 -61.1 -38.9 -53.1 9.6 30.1 32 38 A V H X S+ 0 0 15 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.953 112.5 44.0 -66.9 -51.0 -54.7 13.0 30.5 33 39 A L H X S+ 0 0 123 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.908 115.2 49.5 -62.4 -41.6 -57.9 11.7 32.2 34 40 A L H X S+ 0 0 94 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.875 109.8 53.1 -61.1 -38.4 -55.8 9.4 34.4 35 41 A A H X S+ 0 0 3 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.915 110.4 46.1 -63.8 -45.1 -53.5 12.4 35.2 36 42 A V H X S+ 0 0 44 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.938 113.9 48.6 -63.1 -48.2 -56.5 14.5 36.3 37 43 A V H X S+ 0 0 91 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.938 115.2 43.6 -57.0 -50.8 -57.9 11.6 38.4 38 44 A I H X S+ 0 0 45 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.902 114.5 49.8 -63.6 -42.6 -54.6 10.9 40.1 39 45 A A H < S+ 0 0 0 -4,-2.6 5,-0.3 -5,-0.2 -1,-0.2 0.868 116.1 41.7 -64.9 -37.6 -53.8 14.6 40.7 40 46 A C H < S+ 0 0 71 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.810 114.5 50.8 -81.3 -31.8 -57.3 15.3 42.2 41 47 A W H < S+ 0 0 195 -4,-2.3 2,-0.2 -5,-0.3 -2,-0.2 0.891 97.4 76.1 -73.8 -41.7 -57.4 12.1 44.3 42 48 A L S < S- 0 0 23 -4,-2.3 2,-1.3 -5,-0.2 7,-0.0 -0.505 97.2-111.0 -70.2 137.5 -54.0 12.5 45.9 43 49 A D + 0 0 154 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.578 64.9 151.7 -70.6 97.6 -53.9 15.2 48.6 44 50 A V - 0 0 8 -2,-1.3 5,-0.1 -5,-0.3 -2,-0.0 -0.980 46.5-105.3-141.1 141.5 -51.8 17.7 46.7 45 51 A D > - 0 0 87 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.054 37.8-106.1 -61.8 167.1 -51.4 21.4 46.5 46 52 A A H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.925 114.7 50.5 -65.0 -51.2 -52.7 23.6 43.7 47 53 A C H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 113.6 47.6 -57.1 -37.6 -49.5 24.3 41.8 48 54 A T H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.858 111.0 49.4 -74.3 -38.3 -48.6 20.7 41.7 49 55 A R H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.957 113.0 48.7 -61.9 -50.3 -52.1 19.5 40.6 50 56 A V H X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.912 112.9 47.3 -53.6 -48.3 -51.9 22.1 37.9 51 57 A L H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.896 109.4 52.3 -65.6 -42.5 -48.4 21.0 36.8 52 58 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.861 117.8 39.3 -60.7 -36.6 -49.3 17.3 36.8 53 59 A I H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.926 117.0 47.6 -78.2 -46.3 -52.3 18.1 34.5 54 60 A S H X S+ 0 0 21 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.875 106.4 56.6 -64.0 -43.4 -50.6 20.7 32.3 55 61 A S H X S+ 0 0 6 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.889 112.6 43.2 -57.5 -39.3 -47.5 18.7 31.6 56 62 A V H X S+ 0 0 17 -4,-0.7 4,-1.2 -5,-0.3 3,-0.4 0.881 111.7 51.9 -76.4 -39.5 -49.6 15.9 30.3 57 63 A M H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.843 100.4 64.2 -64.2 -32.7 -52.0 18.1 28.3 58 64 A L H X S+ 0 0 23 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.881 97.4 56.8 -57.8 -39.5 -48.9 19.7 26.7 59 65 A V H X S+ 0 0 10 -4,-0.8 4,-2.6 -3,-0.4 -1,-0.2 0.946 105.9 49.8 -54.5 -51.0 -48.2 16.3 25.2 60 66 A M H X S+ 0 0 16 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.898 110.9 49.8 -54.9 -45.2 -51.7 16.3 23.6 61 67 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.968 113.1 44.2 -59.3 -54.4 -51.1 19.8 22.1 62 68 A V H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.864 112.7 53.6 -60.8 -36.8 -47.7 19.0 20.6 63 69 A E H X S+ 0 0 15 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.914 108.7 49.0 -63.8 -44.5 -49.1 15.7 19.3 64 70 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.944 112.5 46.8 -60.5 -49.8 -52.0 17.5 17.6 65 71 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.916 111.8 52.1 -58.0 -44.0 -49.7 20.1 15.9 66 72 A N H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.914 107.8 51.3 -56.6 -45.7 -47.4 17.2 14.9 67 73 A S H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.859 107.6 53.3 -61.7 -37.7 -50.3 15.4 13.3 68 74 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.940 109.4 47.9 -60.7 -48.4 -51.2 18.6 11.4 69 75 A I H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.927 109.7 52.9 -57.9 -46.4 -47.7 18.8 10.0 70 76 A E H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.879 108.0 51.8 -55.8 -41.2 -47.8 15.1 9.0 71 77 A A H X S+ 0 0 22 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.921 109.5 48.4 -63.1 -45.9 -51.1 15.8 7.2 72 78 A V H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.952 111.8 49.4 -57.8 -51.8 -49.5 18.7 5.2 73 79 A V H X S+ 0 0 15 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.879 109.6 53.3 -52.5 -41.9 -46.5 16.5 4.4 74 80 A D H X S+ 0 0 80 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.866 107.5 49.0 -67.5 -38.1 -48.9 13.8 3.2 75 81 A R H X S+ 0 0 63 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.947 113.5 49.0 -63.5 -47.8 -50.8 16.1 0.8 76 82 A I H >X S+ 0 0 8 -4,-2.6 4,-1.7 1,-0.2 3,-1.1 0.981 112.1 45.6 -51.6 -65.1 -47.5 17.2 -0.5 77 83 A G H 3X S+ 0 0 15 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.741 108.8 59.0 -53.5 -27.8 -46.1 13.7 -1.1 78 84 A S H 3< S+ 0 0 58 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.902 119.7 27.0 -67.2 -41.9 -49.4 12.7 -2.6 79 85 A E H << S+ 0 0 98 -4,-2.0 -2,-0.2 -3,-1.1 -1,-0.2 0.532 124.8 50.8 -94.1 -5.4 -49.0 15.4 -5.3 80 86 A Y H < S- 0 0 92 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.720 80.6-147.2-110.9 -30.9 -45.2 15.6 -5.4 81 87 A H < + 0 0 172 -4,-1.5 2,-0.3 -5,-0.3 -4,-0.1 0.748 67.7 102.2 60.3 26.2 -44.0 12.0 -5.7 82 88 A E - 0 0 78 -6,-0.1 2,-0.4 -5,-0.1 -1,-0.2 -0.997 54.0-161.7-139.0 136.9 -41.0 12.8 -3.6 83 89 A L + 0 0 145 -2,-0.3 2,-0.3 -3,-0.1 -10,-0.0 -0.968 21.3 157.4-129.9 128.2 -40.5 12.0 0.1 84 90 A S > - 0 0 59 -2,-0.4 3,-0.5 0, 0.0 4,-0.2 -0.908 26.0-153.5-144.2 119.3 -38.2 13.2 2.8 85 91 A G T 3> + 0 0 29 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.071 58.8 118.1 -85.8 27.5 -39.2 12.8 6.4 86 92 A R H 3> S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.947 80.2 42.5 -54.1 -54.1 -37.2 15.7 7.8 87 93 A A H <> S+ 0 0 2 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.920 113.9 51.0 -60.9 -47.5 -40.3 17.5 9.0 88 94 A K H > S+ 0 0 43 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 110.4 50.4 -58.2 -43.4 -41.9 14.3 10.4 89 95 A D H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 149,-0.3 0.940 110.6 49.1 -59.1 -49.6 -38.7 13.6 12.3 90 96 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 112.1 48.0 -57.9 -47.3 -38.5 17.1 13.8 91 97 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.928 110.8 50.3 -57.6 -48.4 -42.2 16.9 14.9 92 98 A S H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.865 108.5 54.0 -60.0 -36.3 -41.7 13.5 16.5 93 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 141,-0.2 -1,-0.2 0.922 106.8 51.6 -61.8 -45.4 -38.7 14.9 18.3 94 100 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.943 110.0 48.4 -55.8 -50.2 -40.8 17.7 19.6 95 101 A V H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.900 109.3 54.0 -58.0 -42.4 -43.4 15.2 20.9 96 102 A L H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.944 108.0 49.3 -56.1 -50.2 -40.6 13.2 22.5 97 103 A I H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.891 108.8 53.2 -58.7 -41.0 -39.3 16.2 24.4 98 104 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.926 110.1 47.8 -59.1 -45.3 -42.9 17.0 25.6 99 105 A I H X S+ 0 0 72 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 110.4 50.3 -61.4 -48.0 -43.1 13.4 27.0 100 106 A I H X S+ 0 0 69 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.905 109.0 53.9 -56.8 -41.9 -39.7 13.6 28.7 101 107 A D H X S+ 0 0 4 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.914 108.9 48.3 -57.0 -46.1 -40.9 16.9 30.2 102 108 A A H X S+ 0 0 11 -4,-2.2 4,-2.7 -47,-0.2 -2,-0.2 0.900 111.6 49.0 -63.0 -41.9 -44.0 15.2 31.6 103 109 A V H X S+ 0 0 83 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.910 112.9 47.1 -65.5 -43.1 -42.0 12.3 33.0 104 110 A I H X S+ 0 0 50 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.944 112.4 51.1 -60.5 -49.0 -39.6 14.7 34.7 105 111 A T H X S+ 0 0 1 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.938 113.5 43.3 -52.5 -53.4 -42.4 16.8 36.0 106 112 A W H X S+ 0 0 48 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.867 114.1 51.6 -64.5 -38.6 -44.2 13.7 37.5 107 113 A C H X S+ 0 0 43 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.990 115.0 40.2 -59.6 -62.1 -41.0 12.3 38.9 108 114 A I H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.919 120.1 44.8 -52.6 -51.8 -40.0 15.5 40.7 109 115 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.925 117.7 41.0 -63.5 -49.7 -43.5 16.4 41.9 110 116 A L H X S+ 0 0 37 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.815 114.3 53.9 -71.7 -29.4 -44.5 12.9 43.1 111 117 A W H < S+ 0 0 188 -4,-2.4 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32.8 2.3 308 90 C S H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.904 113.4 45.3 -66.8 -42.9 -44.4 30.7 2.6 309 91 C G H X S+ 0 0 24 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.903 111.2 53.6 -64.8 -42.7 -42.5 33.7 4.1 310 92 C R H X S+ 0 0 57 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.919 106.7 52.6 -57.0 -46.1 -45.4 34.4 6.3 311 93 C A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 110.7 46.3 -56.5 -49.8 -45.4 30.9 7.6 312 94 C K H X S+ 0 0 51 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.948 112.9 49.1 -57.9 -52.0 -41.7 31.1 8.5 313 95 C D H X S+ 0 0 13 -4,-2.7 4,-1.8 1,-0.2 -182,-0.4 0.868 110.0 53.0 -56.1 -40.1 -42.1 34.5 10.2 314 96 C L H X S+ 0 0 5 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.909 109.8 47.3 -61.5 -45.1 -45.1 33.1 12.2 315 97 C G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.880 109.8 52.9 -64.8 -39.4 -43.0 30.1 13.4 316 98 C S H X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 -188,-0.2 0.856 107.7 52.9 -63.9 -34.8 -40.2 32.4 14.4 317 99 C A H X S+ 0 0 0 -4,-1.8 4,-1.9 -190,-0.2 -1,-0.2 0.883 104.7 54.4 -67.7 -39.6 -42.6 34.5 16.4 318 100 C A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.910 108.0 49.8 -60.6 -43.1 -43.9 31.5 18.3 319 101 C V H X S+ 0 0 11 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.906 106.4 56.7 -61.5 -42.6 -40.3 30.7 19.3 320 102 C L H X S+ 0 0 45 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.904 106.1 49.3 -55.1 -45.8 -39.8 34.2 20.5 321 103 C I H X S+ 0 0 22 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.877 107.1 54.7 -65.0 -38.9 -42.8 34.0 22.8 322 104 C A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -39,-0.2 0.869 109.5 48.6 -61.7 -37.1 -41.6 30.8 24.3 323 105 C I H X S+ 0 0 71 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.933 110.9 48.6 -68.6 -47.3 -38.3 32.4 25.1 324 106 C I H X S+ 0 0 69 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.932 111.6 50.6 -57.7 -47.8 -39.9 35.5 26.7 325 107 C D H X S+ 0 0 6 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.920 110.4 49.7 -53.8 -48.0 -42.1 33.2 28.8 326 108 C A H X S+ 0 0 11 -4,-2.1 4,-2.5 -47,-0.2 -2,-0.2 0.916 112.6 47.3 -58.2 -45.7 -39.0 31.3 29.9 327 109 C V H X S+ 0 0 80 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.949 113.8 46.6 -60.9 -50.8 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360.0-101.5 360.0 -35.8 33.5 45.9