==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-10 3OAC . COMPND 2 MOLECULE: GERANYL DIPHOSPHATE SYNTHASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: MENTHA X PIPERITA; . AUTHOR F.-L.HSIEH,T.-H.CHANG,T.-P.KO,A.H.-J.WANG . 1070 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 837 78.2 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 . 6 0.6 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 . 2 0.2 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 . 26 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 651 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.1 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 2 3 0 1 2 2 0 6 4 2 4 4 4 2 1 3 1 1 7 0 1 0 1 0 1 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 2 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 . 2 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 M 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.6 32.5 -27.5 2.4 2 2 A F - 0 0 89 1,-0.1 2,-1.2 2,-0.1 3,-0.2 -0.019 360.0-148.4 -38.3 114.3 31.0 -25.1 5.0 3 3 A D > + 0 0 99 1,-0.2 4,-1.9 2,-0.1 -1,-0.1 -0.754 18.3 179.9 -91.4 93.9 33.7 -23.7 7.4 4 4 A F H > S+ 0 0 38 -2,-1.2 4,-3.2 2,-0.2 5,-0.2 0.874 75.5 59.3 -63.8 -39.1 31.6 -23.3 10.6 5 5 A D H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.974 109.3 41.2 -52.7 -62.3 34.5 -21.9 12.5 6 6 A G H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.857 112.7 56.8 -56.0 -37.3 35.1 -19.0 10.2 7 7 A Y H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.977 107.7 46.2 -57.3 -58.1 31.4 -18.5 10.0 8 8 A M H X S+ 0 0 31 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.910 111.9 53.1 -51.6 -48.0 31.1 -18.2 13.8 9 9 A L H X S+ 0 0 126 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.940 107.6 49.8 -56.0 -48.7 34.0 -15.8 13.8 10 10 A R H X S+ 0 0 154 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.973 114.4 44.8 -55.8 -52.6 32.5 -13.4 11.2 11 11 A K H X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.928 111.6 50.9 -60.4 -45.7 29.2 -13.2 13.0 12 12 A A H X S+ 0 0 13 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.931 109.6 51.6 -54.6 -49.1 30.7 -12.7 16.4 13 13 A K H X S+ 0 0 129 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.895 112.0 47.6 -57.0 -40.1 32.9 -9.9 15.1 14 14 A S H X S+ 0 0 47 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.923 114.2 45.3 -67.9 -43.2 29.8 -8.2 13.6 15 15 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.2 3,-0.3 0.952 111.4 51.4 -64.4 -50.0 27.8 -8.6 16.7 16 16 A N H X S+ 0 0 55 -4,-3.6 4,-2.2 1,-0.3 -1,-0.2 0.864 108.4 53.6 -58.1 -35.2 30.5 -7.4 19.1 17 17 A K H X S+ 0 0 92 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.3 0.895 112.7 42.7 -68.6 -37.8 31.1 -4.3 16.9 18 18 A A H X S+ 0 0 26 -4,-1.5 4,-2.5 -3,-0.3 -2,-0.2 0.859 112.8 51.6 -76.0 -36.7 27.3 -3.4 17.1 19 19 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.920 109.2 52.3 -63.5 -42.1 27.0 -4.2 20.9 20 20 A E H < S+ 0 0 26 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.901 113.5 43.6 -59.3 -41.7 29.9 -2.0 21.5 21 21 A A H < S+ 0 0 64 -4,-1.3 3,-0.2 1,-0.2 -2,-0.2 0.866 113.9 49.3 -74.7 -35.8 28.2 0.8 19.5 22 22 A A H < S+ 0 0 20 -4,-2.5 2,-0.7 1,-0.2 -2,-0.2 0.845 112.3 49.4 -73.8 -34.0 24.8 0.4 21.0 23 23 A V S < S+ 0 0 4 -4,-2.9 -1,-0.2 -5,-0.2 2,-0.2 -0.790 77.2 167.7-116.3 94.1 26.1 0.4 24.6 24 24 A Q - 0 0 82 -2,-0.7 2,-0.3 -3,-0.2 -3,-0.1 -0.576 41.3 -94.9-101.3 159.6 28.4 3.3 25.3 25 25 A M + 0 0 15 -2,-0.2 2,-0.3 663,-0.1 4,-0.1 -0.561 62.9 129.3 -72.3 129.9 30.0 5.0 28.3 26 26 A K - 0 0 60 -2,-0.3 6,-0.4 2,-0.1 7,-0.1 -0.926 55.5 -25.4-169.1 165.1 27.9 8.0 29.6 27 27 A E S S+ 0 0 21 -2,-0.3 396,-0.1 1,-0.2 779,-0.1 -0.459 121.0 48.5 -70.8 140.7 26.5 9.1 33.0 28 28 A P S >> S- 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.7 0.186 80.9-173.1 -78.6 118.5 25.9 7.3 35.2 29 29 A L H 3> S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.738 80.1 50.2 -47.0 -36.1 29.4 6.0 34.4 30 30 A K H 3> S+ 0 0 86 2,-0.2 4,-2.4 3,-0.2 -1,-0.3 0.870 108.3 49.4 -78.2 -36.4 29.2 3.1 36.7 31 31 A I H <> S+ 0 0 0 -3,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.980 117.8 43.1 -64.0 -47.9 25.9 1.8 35.6 32 32 A H H X S+ 0 0 1 -4,-2.3 4,-2.6 -6,-0.4 -2,-0.2 0.884 112.7 51.8 -61.0 -39.0 27.1 1.9 32.0 33 33 A E H X S+ 0 0 28 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.899 108.0 51.6 -68.9 -34.1 30.5 0.5 32.9 34 34 A S H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 5,-0.2 0.894 109.0 52.1 -66.7 -36.4 28.9 -2.4 34.7 35 35 A M H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 3,-0.3 0.964 113.3 43.3 -65.0 -48.8 26.8 -3.1 31.5 36 36 A R H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 105.4 63.2 -65.3 -36.0 29.8 -3.1 29.3 37 37 A Y H < S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.4 26.8 -56.9 -40.7 31.8 -5.2 31.7 38 38 A S H >< S+ 0 0 10 -4,-1.5 3,-0.7 -3,-0.3 -1,-0.2 0.868 122.1 51.0 -89.7 -40.5 29.4 -8.1 31.3 39 39 A L H 3< S+ 0 0 0 -4,-3.2 3,-0.3 -5,-0.2 -3,-0.2 0.815 116.5 36.9 -70.1 -34.8 28.0 -7.4 27.8 40 40 A L T 3< S+ 0 0 44 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.1 0.218 81.0 110.4-102.6 12.6 31.2 -7.1 25.9 41 41 A A S < S- 0 0 33 -3,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 0.577 86.3-120.9 -61.6 -10.5 33.1 -9.8 27.9 42 42 A G + 0 0 25 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.1 0.235 41.9 176.5 80.7 148.3 32.9 -11.7 24.8 43 43 A G - 0 0 35 -3,-0.1 -1,-0.0 1,-0.0 -4,-0.0 -0.953 52.1 -78.9-171.6 175.1 31.2 -15.0 24.3 44 44 A K - 0 0 129 -2,-0.3 -32,-0.1 1,-0.1 -1,-0.0 0.845 55.5-145.3 -55.8 -31.9 30.3 -17.6 21.6 45 45 A R > + 0 0 5 3,-0.1 4,-1.9 -33,-0.0 5,-0.2 0.729 41.8 155.5 64.8 30.0 27.5 -15.2 20.7 46 46 A V H > + 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 65.5 52.4 -51.3 -50.2 25.3 -18.2 19.8 47 47 A R H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 110.5 44.8 -58.8 -45.4 21.9 -16.3 20.4 48 48 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.899 114.7 52.4 -64.6 -39.0 22.7 -13.2 18.1 49 49 A M H X S+ 0 0 3 -4,-1.9 4,-4.2 2,-0.2 5,-0.3 0.964 107.9 48.9 -57.8 -56.3 24.0 -15.6 15.5 50 50 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.936 113.1 49.6 -50.7 -48.4 20.7 -17.7 15.6 51 51 A C H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.965 116.3 40.2 -56.3 -53.3 18.8 -14.5 15.2 52 52 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.908 116.3 50.7 -61.8 -44.0 20.8 -13.3 12.2 53 53 A A H X S+ 0 0 3 -4,-4.2 4,-1.6 1,-0.2 -1,-0.2 0.898 108.2 51.6 -64.7 -41.4 21.0 -16.7 10.7 54 54 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.816 110.4 50.6 -62.6 -33.3 17.2 -17.2 10.9 55 55 A C H <>S+ 0 0 0 -4,-1.4 5,-2.0 -5,-0.2 -1,-0.2 0.842 113.5 42.7 -75.1 -34.5 16.8 -13.9 9.2 56 56 A E H <5S+ 0 0 56 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.682 106.8 65.7 -82.7 -16.8 19.1 -14.7 6.3 57 57 A L H <5S+ 0 0 2 -4,-1.6 204,-0.3 -5,-0.2 -2,-0.2 0.881 105.4 40.8 -71.5 -38.6 17.6 -18.1 6.2 58 58 A V T <5S- 0 0 22 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.388 129.9 -91.4 -90.9 3.5 14.2 -16.8 5.1 59 59 A G T 5S+ 0 0 49 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.317 87.1 121.7 109.1 -14.3 15.7 -14.2 2.7 60 60 A G < - 0 0 18 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.149 58.0-115.5 -73.4 175.1 16.1 -11.2 5.0 61 61 A D >> - 0 0 87 134,-0.2 3,-1.4 1,-0.1 4,-0.9 -0.839 16.8-109.7-118.2 161.9 19.5 -9.6 5.5 62 62 A E H >> S+ 0 0 41 -2,-0.3 4,-1.9 1,-0.3 3,-0.8 0.856 108.0 62.1 -49.3 -50.1 21.8 -9.0 8.6 63 63 A S H 34 S+ 0 0 90 1,-0.2 66,-0.3 2,-0.2 -1,-0.3 0.761 102.8 52.8 -53.9 -26.0 21.4 -5.3 9.1 64 64 A T H <4 S+ 0 0 13 -3,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.861 114.0 40.5 -78.8 -35.5 17.7 -5.7 9.8 65 65 A A H S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.945 115.5 46.5 -57.0 -40.6 19.3 -4.7 16.8 68 68 A A H > S+ 0 0 0 -4,-0.4 4,-1.9 -3,-0.3 -2,-0.2 0.783 111.0 52.2 -67.5 -28.8 17.2 -7.8 17.7 69 69 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 -3,-0.3 -1,-0.2 0.915 111.5 46.9 -72.1 -42.1 20.4 -9.9 17.8 70 70 A C H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 3,-0.2 0.926 110.1 55.0 -60.9 -44.1 21.9 -7.3 20.1 71 71 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.908 105.9 48.7 -57.8 -50.2 18.8 -7.3 22.2 72 72 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.845 110.0 53.5 -64.3 -26.8 18.7 -11.0 22.9 73 73 A E H X S+ 0 0 5 -4,-1.3 4,-1.7 -3,-0.2 -1,-0.2 0.882 107.7 50.8 -73.4 -34.2 22.4 -10.9 23.8 74 74 A M H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.924 110.6 48.3 -67.2 -44.9 21.7 -8.1 26.4 75 75 A I H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.874 111.4 50.4 -63.5 -38.7 18.9 -10.2 27.9 76 76 A H H X S+ 0 0 27 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.822 111.3 50.0 -68.1 -32.1 21.2 -13.2 28.1 77 77 A T H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.948 109.0 49.5 -69.6 -48.7 23.8 -11.0 29.7 78 78 A M H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.846 107.8 55.8 -59.4 -34.2 21.4 -9.7 32.3 79 79 A S H X S+ 0 0 18 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.907 110.5 44.4 -66.3 -41.3 20.3 -13.3 33.1 80 80 A L H X S+ 0 0 28 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.927 110.4 55.3 -68.0 -45.4 23.9 -14.3 33.9 81 81 A M H < S+ 0 0 3 -4,-2.9 4,-0.5 1,-0.2 20,-0.2 0.924 113.1 42.1 -51.8 -45.2 24.5 -11.1 35.9 82 82 A H H >< S+ 0 0 3 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.904 109.5 56.1 -73.2 -37.6 21.5 -11.9 38.1 83 83 A D H 3< S+ 0 0 22 -4,-2.0 6,-2.1 1,-0.3 7,-0.4 0.752 101.9 58.0 -65.1 -28.2 22.2 -15.6 38.4 84 84 A D T 3< S+ 0 0 4 -4,-1.7 7,-1.2 -3,-0.2 -1,-0.3 0.685 84.0 113.8 -78.6 -15.1 25.7 -14.9 39.8 85 85 A L S X >S- 0 0 6 -3,-1.2 5,-2.6 -4,-0.5 3,-1.7 -0.047 80.0-111.5 -58.1 161.0 24.3 -12.8 42.7 86 86 A P T 3 5S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 287,-0.1 0.824 117.6 56.3 -63.0 -32.6 24.7 -13.9 46.4 87 87 A C T 3 5S+ 0 0 40 -5,-0.1 286,-0.3 285,-0.1 -2,-0.1 0.441 120.2 29.7 -82.2 6.8 20.9 -14.5 46.7 88 88 A M T < 5S- 0 0 28 -3,-1.7 -4,-0.1 -6,-0.1 -5,-0.1 0.253 139.0 -21.1-122.2-111.2 21.1 -16.9 43.7 89 89 A D T 5S- 0 0 71 -6,-2.1 -5,-0.2 -7,-0.2 -4,-0.1 0.756 74.9-145.1 -78.0 -26.9 24.2 -19.1 42.8 90 90 A N < + 0 0 99 -5,-2.6 2,-0.2 -7,-0.4 -5,-0.2 0.943 31.9 176.5 62.0 49.9 26.5 -16.8 44.7 91 91 A D - 0 0 78 -7,-1.2 -1,-0.2 -8,-0.2 8,-0.1 -0.566 33.8-158.1 -92.6 149.7 29.4 -17.1 42.3 92 92 A D S S+ 0 0 98 -2,-0.2 7,-1.3 1,-0.2 2,-0.3 0.636 76.2 32.1 -94.9 -17.4 32.8 -15.4 42.4 93 93 A L E +A 98 0A 113 5,-0.3 2,-0.3 9,-0.0 -1,-0.2 -0.992 55.1 172.5-145.2 149.5 33.7 -15.8 38.7 94 94 A R E > -A 97 0A 54 3,-2.4 3,-1.6 -2,-0.3 -10,-0.0 -0.946 68.5 -5.6-158.4 136.7 32.2 -16.0 35.2 95 95 A R T 3 S- 0 0 89 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.875 131.5 -45.6 44.4 47.0 33.4 -16.1 31.7 96 96 A G T 3 S+ 0 0 83 1,-0.1 -1,-0.3 0, 0.0 3,-0.0 0.377 120.5 59.3 84.8 1.7 36.9 -15.5 32.8 97 97 A K E < S-A 94 0A 61 -3,-1.6 -3,-2.4 1,-0.1 -1,-0.1 -0.908 93.1 -59.8-150.1 175.8 36.8 -12.7 35.4 98 98 A P E -A 93 0A 64 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.254 67.9-100.5 -53.0 149.9 35.4 -11.6 38.7 99 99 A T > - 0 0 3 -7,-1.3 4,-2.2 -8,-0.1 3,-0.3 -0.319 33.9-102.8 -73.4 162.6 31.6 -11.5 38.6 100 100 A N H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.885 120.5 48.8 -54.3 -46.4 29.8 -8.2 38.1 101 101 A H H > S+ 0 0 12 1,-0.2 4,-2.7 -20,-0.2 -1,-0.2 0.883 110.1 53.5 -67.5 -28.9 28.7 -7.7 41.7 102 102 A M H 4 S+ 0 0 105 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.920 114.7 41.2 -67.2 -41.5 32.3 -8.5 42.9 103 103 A A H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.775 136.5 11.6 -76.1 -27.7 33.6 -5.8 40.5 104 104 A F H < S- 0 0 32 -4,-2.3 4,-0.3 -5,-0.2 -3,-0.2 0.491 108.4 -92.4-129.8 -7.5 30.9 -3.1 41.2 105 105 A G X - 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0 0 12 -5,-1.5 2,-0.5 -6,-0.2 -1,-0.3 -0.189 67.0 -89.8 -77.7 171.9 -8.8 10.1 23.1 338 58 B D >> - 0 0 93 125,-0.2 3,-6.3 1,-0.1 4,-0.6 -0.724 21.7-131.1 -90.3 122.3 -10.4 7.2 24.9 339 59 B R H >> S+ 0 0 35 -2,-0.5 3,-2.4 1,-0.3 4,-0.7 0.861 111.7 62.6 -30.4 -48.1 -9.2 5.9 28.3 340 60 B S H 34 S+ 0 0 80 1,-0.3 4,-0.4 2,-0.2 3,-0.4 0.768 90.3 66.7 -59.0 -20.0 -9.1 2.5 26.7 341 61 B Q H <4 S+ 0 0 83 -3,-6.3 -1,-0.3 1,-0.2 -2,-0.2 0.746 109.7 35.1 -73.7 -15.1 -6.5 3.8 24.2 342 62 B A H S+ 0 0 9 -4,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.913 114.4 48.0 -63.2 -40.3 -2.0 -1.0 28.2 345 65 B A H > S+ 0 0 1 2,-0.2 4,-2.8 -4,-0.2 5,-0.3 0.967 113.4 46.6 -63.9 -47.5 0.5 1.9 28.5 346 66 B A H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.924 114.5 48.7 -59.6 -39.3 -0.8 2.7 32.0 347 67 B A H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.941 110.9 50.3 -64.2 -47.9 -0.6 -1.0 32.9 348 68 B A H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.900 109.3 50.7 -57.5 -44.7 2.9 -1.2 31.5 349 69 B I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.900 108.1 53.2 -64.8 -37.4 4.1 1.8 33.4 350 70 B H H X S+ 0 0 13 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.924 110.0 48.7 -61.0 -41.6 2.7 0.5 36.6 351 71 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.894 108.6 51.1 -68.2 -39.0 4.7 -2.8 36.0 352 72 B V H X S+ 0 0 12 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.927 113.6 45.7 -64.2 -39.7 7.9 -1.1 35.3 353 73 B H H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.920 110.8 55.2 -66.0 -43.1 7.6 0.9 38.5 354 74 B A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.924 107.2 48.1 -58.2 -45.8 6.6 -2.2 40.3 355 75 B A H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.925 109.7 51.2 -64.0 -41.9 9.7 -4.1 39.3 356 76 B A H X S+ 0 0 18 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.848 108.5 54.5 -63.9 -32.0 12.0 -1.4 40.2 357 77 B Y H X S+ 0 0 77 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.891 107.1 48.9 -66.6 -42.8 10.4 -1.2 43.6 358 78 B V H >< S+ 0 0 9 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.966 111.7 48.6 -64.2 -50.3 10.9 -4.8 44.4 359 79 B H H >< S+ 0 0 13 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.816 109.2 55.4 -59.3 -33.0 14.6 -4.6 43.4 360 80 B E H 3< S+ 0 0 60 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.835 104.9 53.1 -66.6 -35.3 14.9 -1.5 45.6 361 81 B H T - 0 0 32 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.145 39.4-103.2 -64.3 160.9 12.8 -15.0 49.1 372 102 B P H > S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.807 121.2 50.6 -55.7 -36.5 15.3 -12.5 47.7 373 103 B N H > S+ 0 0 42 -286,-0.3 4,-2.4 2,-0.2 5,-0.2 0.898 109.7 48.4 -69.7 -41.7 16.0 -14.7 44.7 374 104 B V H > S+ 0 0 9 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.817 114.7 47.3 -69.7 -29.6 12.3 -15.2 43.8 375 105 B E H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.930 110.5 49.6 -78.8 -46.2 11.7 -11.4 44.0 376 106 B L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.953 116.4 44.1 -54.5 -47.9 14.7 -10.5 42.0 377 107 B L H X S+ 0 0 6 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.829 110.8 53.8 -67.4 -34.6 13.6 -13.0 39.3 378 108 B T H X S+ 0 0 6 -4,-1.6 4,-1.5 2,-0.2 3,-0.4 0.845 105.3 53.1 -71.6 -31.1 10.0 -11.9 39.5 379 109 B G H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.931 106.1 55.5 -65.8 -39.4 10.9 -8.2 38.9 380 110 B D H < S+ 0 0 9 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.731 110.9 44.6 -64.3 -19.2 12.8 -9.5 35.8 381 111 B G H X S+ 0 0 1 -4,-0.6 4,-1.3 -3,-0.4 -232,-0.4 0.696 105.3 61.7 -96.7 -19.9 9.5 -11.0 34.7 382 112 B I H X S+ 0 0 0 -4,-1.5 4,-1.3 -3,-0.4 -2,-0.2 0.923 100.0 51.1 -72.4 -44.6 7.3 -8.1 35.4 383 113 B V H X S+ 0 0 20 -4,-1.6 4,-1.3 1,-0.2 3,-0.4 0.936 109.3 51.2 -59.6 -47.7 8.9 -5.5 33.1 384 114 B P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.908 105.4 56.0 -58.7 -41.5 8.7 -7.9 30.1 385 115 B F H X S+ 0 0 26 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.850 100.0 61.1 -61.7 -30.3 5.0 -8.5 30.7 386 116 B G H X S+ 0 0 2 -4,-1.3 4,-1.4 -3,-0.4 -1,-0.2 0.957 107.4 43.0 -61.9 -41.9 4.5 -4.8 30.5 387 117 B F H X S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.4 5,-0.2 0.872 109.6 57.2 -70.9 -33.9 5.8 -4.8 26.9 388 118 B E H X S+ 0 0 50 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.957 104.4 52.4 -59.9 -48.8 3.8 -8.0 26.0 389 119 B L H < S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 111.5 47.6 -53.2 -43.6 0.6 -6.2 27.1 390 120 B L H >< S+ 0 0 2 -4,-1.4 3,-1.0 -46,-0.2 -1,-0.2 0.880 112.2 46.7 -63.3 -48.0 1.4 -3.3 24.8 391 121 B A H >< S+ 0 0 16 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.870 111.3 53.0 -65.7 -39.4 2.3 -5.4 21.7 392 122 B G T 3< S+ 0 0 71 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.460 97.3 68.0 -77.3 -1.1 -0.8 -7.5 22.2 393 123 B S T < + 0 0 46 -3,-1.0 2,-0.9 -5,-0.2 -1,-0.2 0.428 65.0 121.1 -97.7 2.0 -3.0 -4.4 22.2 394 124 B V < - 0 0 31 -3,-1.1 -3,-0.0 -4,-0.1 -4,-0.0 -0.548 54.4-151.3 -68.5 104.8 -2.4 -3.5 18.6 395 125 B D > - 0 0 63 -2,-0.9 3,-0.9 1,-0.1 6,-0.3 -0.623 2.3-151.6 -76.3 125.8 -5.9 -3.5 17.1 396 126 B P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.366 91.0 60.5 -82.3 9.3 -5.4 -4.4 13.4 397 127 B A T 3 S+ 0 0 81 1,-0.1 2,-0.9 2,-0.0 3,-0.1 0.493 88.8 80.7-106.2 -11.8 -8.4 -2.6 12.2 398 128 B R X - 0 0 145 -3,-0.9 3,-1.7 1,-0.2 -1,-0.1 -0.836 69.4-159.8 -95.7 100.5 -7.0 0.7 13.5 399 129 B T T 3 S+ 0 0 141 -2,-0.9 4,-0.3 1,-0.3 -1,-0.2 0.817 87.0 54.3 -49.9 -30.8 -4.6 1.8 10.9 400 130 B D T 3> S+ 0 0 81 1,-0.2 4,-1.5 2,-0.1 -1,-0.3 0.541 82.2 86.7 -85.3 -9.4 -2.9 4.1 13.4 401 131 B D H <> S+ 0 0 34 -3,-1.7 4,-2.9 -6,-0.3 5,-0.4 0.964 79.9 57.9 -55.2 -63.5 -2.1 1.6 16.2 402 132 B P H > S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.842 110.6 42.1 -32.7 -66.3 1.3 0.2 15.1 403 133 B D H > S+ 0 0 92 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.855 115.0 47.8 -55.0 -46.5 3.1 3.5 15.0 404 134 B R H X S+ 0 0 60 -4,-1.5 4,-2.2 -3,-0.3 -1,-0.2 0.908 114.0 48.4 -65.1 -38.9 1.7 5.0 18.1 405 135 B I H X S+ 0 0 7 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.822 108.1 52.8 -73.2 -28.4 2.5 1.9 20.1 406 136 B L H X S+ 0 0 22 -4,-2.0 4,-2.1 -5,-0.4 3,-0.2 0.955 109.7 50.2 -69.0 -45.0 6.0 1.6 18.8 407 137 B R H X S+ 0 0 83 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 109.7 50.1 -55.2 -50.2 6.6 5.2 19.9 408 138 B V H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.801 107.2 54.4 -60.9 -32.3 5.2 4.5 23.4 409 139 B I H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.885 108.6 49.2 -70.3 -37.0 7.4 1.4 23.7 410 140 B I H X S+ 0 0 26 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.956 113.3 46.3 -65.2 -50.5 10.4 3.5 23.0 411 141 B E H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.945 115.9 44.5 -57.9 -50.4 9.3 6.2 25.6 412 142 B I H X S+ 0 0 1 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.881 112.8 50.3 -66.0 -35.0 8.5 3.7 28.3 413 143 B S H X S+ 0 0 1 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.889 115.3 45.8 -69.6 -34.9 11.7 1.6 27.7 414 144 B R H >< S+ 0 0 119 -4,-2.4 3,-0.6 2,-0.2 5,-0.4 0.897 109.0 51.4 -71.6 -44.5 13.7 4.8 27.9 415 145 B A H 3< S+ 0 0 8 -4,-2.6 6,-2.8 1,-0.2 -1,-0.2 0.830 116.8 44.2 -62.8 -28.9 12.1 6.3 31.0 416 146 B G H 3< S+ 0 0 9 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.539 103.2 81.5 -94.8 -8.0 12.8 3.0 32.7 417 147 B G S X<>S- 0 0 0 -3,-0.6 3,-1.6 -4,-0.6 5,-1.3 -0.044 101.4 -66.4 -86.4-165.1 16.3 2.5 31.5 418 148 B P T 3 5S+ 0 0 4 0, 0.0 -386,-0.1 0, 0.0 -387,-0.1 0.613 127.6 50.1 -57.5 -18.7 19.8 3.6 32.6 419 149 B E T 3 5S+ 0 0 119 -5,-0.4 -4,-0.1 3,-0.1 -5,-0.1 0.548 121.0 28.0 -99.5 -9.7 19.2 7.3 31.6 420 150 B G T X>5S- 0 0 1 -3,-1.6 4,-1.2 -6,-0.3 3,-0.8 0.312 129.4 -0.4-112.0-116.8 16.0 7.7 33.5 421 151 B M H >>5S+ 0 0 13 -6,-2.8 4,-2.7 1,-0.2 3,-0.6 0.841 129.7 52.7 -46.5 -47.3 14.7 5.8 36.5 422 152 B I H 3> S+ 0 0 2 -3,-0.8 4,-1.6 -6,-0.6 -1,-0.3 0.877 111.6 41.5 -59.4 -37.8 19.9 6.8 36.9 424 154 B G H < S+ 0 0 10 -4,-2.0 3,-0.6 -5,-0.2 4,-0.3 0.881 108.6 46.4 -78.4 -43.7 21.5 4.6 41.4 427 157 B R H >< S+ 0 0 20 -4,-1.6 3,-1.5 1,-0.2 4,-0.4 0.747 97.9 75.6 -72.8 -21.1 22.2 8.1 42.7 428 158 B E H >< S+ 0 0 47 -4,-1.6 3,-2.3 1,-0.3 -1,-0.2 0.907 84.8 65.1 -53.5 -41.9 19.9 7.3 45.5 429 159 B E T << S+ 0 0 115 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.816 94.7 58.9 -49.1 -36.2 22.7 5.2 47.0 430 160 B E T < S+ 0 0 85 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.578 81.1 111.4 -75.3 -8.5 24.8 8.3 47.4 431 161 B I < - 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0 0 9 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.211 31.2-117.4 -53.8 144.2 21.5 53.0 24.0 978 199 D K >> - 0 0 148 1,-0.1 4,-2.1 -141,-0.1 3,-1.0 -0.438 33.5 -99.0 -77.5 156.0 23.3 55.4 21.6 979 200 D E H 3> S+ 0 0 110 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.824 120.9 51.1 -47.1 -45.3 27.1 55.6 21.8 980 201 D E H 3> S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.840 109.6 51.7 -66.0 -32.4 27.3 58.7 23.9 981 202 D E H <> S+ 0 0 36 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.929 111.2 48.6 -68.2 -44.5 24.8 57.3 26.5 982 203 D V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.955 112.0 48.6 -56.8 -53.3 27.1 54.2 26.6 983 204 D A H X S+ 0 0 52 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.864 110.7 50.2 -59.3 -34.6 30.2 56.3 27.1 984 205 D K H X S+ 0 0 65 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.890 111.1 48.5 -73.9 -31.2 28.6 58.3 29.8 985 206 D L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.819 107.7 56.2 -72.5 -32.2 27.5 55.2 31.6 986 207 D R H X S+ 0 0 76 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.975 108.8 45.6 -64.0 -51.8 31.0 53.8 31.3 987 208 D K H X S+ 0 0 116 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.866 113.6 51.6 -59.9 -34.6 32.4 56.8 33.0 988 209 D F H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 3,-0.3 0.890 106.3 51.8 -70.4 -39.6 29.7 56.5 35.6 989 210 D A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.867 103.1 61.2 -65.1 -31.8 30.5 52.8 36.3 990 211 D N H X S+ 0 0 54 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.860 105.5 47.0 -64.8 -34.3 34.1 53.7 36.8 991 212 D C H X S+ 0 0 13 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.929 115.0 41.8 -74.8 -45.0 33.2 56.0 39.7 992 213 D I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.760 114.4 56.8 -73.8 -17.0 30.9 53.6 41.5 993 214 D G H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.899 107.6 43.7 -74.7 -45.7 33.4 50.9 40.8 994 215 D L H X S+ 0 0 29 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.917 116.6 51.6 -64.5 -34.7 36.2 52.8 42.4 995 216 D L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.904 102.7 58.6 -63.8 -45.4 33.6 53.5 45.2 996 217 D F H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 107.7 44.4 -53.0 -49.8 32.7 49.8 45.5 997 218 D Q H X S+ 0 0 8 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.864 111.7 54.6 -68.1 -33.2 36.2 48.7 46.4 998 219 D V H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.927 109.8 45.3 -69.3 -40.1 36.6 51.6 48.8 999 220 D V H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.916 111.9 53.2 -67.1 -38.7 33.5 50.7 50.7 1000 221 D D H X S+ 0 0 29 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.866 107.2 51.5 -62.6 -38.0 34.5 47.0 50.7 1001 222 D D H X S+ 0 0 4 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.878 111.5 49.3 -69.2 -31.4 37.9 47.9 52.1 1002 223 D I H >< S+ 0 0 13 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.994 109.2 48.8 -68.2 -58.0 36.1 49.9 54.9 1003 224 D L H >X S+ 0 0 12 -4,-2.8 3,-1.6 1,-0.3 4,-0.8 0.816 103.9 62.9 -50.5 -34.9 33.6 47.2 55.9 1004 225 D D H >< S+ 0 0 10 -4,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.966 109.3 38.6 -57.4 -49.8 36.5 44.7 56.1 1005 226 D V T << S+ 0 0 40 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.025 124.7 39.8 -93.4 32.4 38.1 46.6 58.9 1006 227 D T T <4 S+ 0 0 66 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.211 108.6 57.8-158.0 10.4 34.9 47.6 60.6 1007 228 D K S << S- 0 0 73 -4,-0.8 2,-0.2 -3,-0.7 -1,-0.2 -0.946 73.2-118.8-144.1 161.1 32.7 44.6 60.4 1008 229 D S >> - 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0 0 13 -2,-3.0 2,-0.3 -5,-0.7 -2,-0.1 -0.959 54.9-126.5-134.8 110.8 47.9 44.0 51.0 1025 246 D T + 0 0 29 -2,-0.4 2,-0.3 -84,-0.2 -2,-0.1 -0.429 37.4 163.6 -68.2 118.5 47.4 47.7 50.4 1026 247 D T > - 0 0 3 -2,-0.3 4,-2.2 -7,-0.1 5,-0.1 -0.775 47.8-107.3-121.5 168.6 43.9 49.0 51.1 1027 248 D Y H > S+ 0 0 16 -2,-0.3 4,-3.9 2,-0.2 5,-0.4 0.914 115.5 55.8 -68.0 -45.1 42.9 52.6 51.5 1028 249 D P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.909 111.8 46.5 -55.9 -36.4 42.2 52.5 55.3 1029 250 D K H 4 S+ 0 0 96 2,-0.2 -2,-0.2 1,-0.2 -4,-0.1 0.962 117.9 42.2 -67.4 -49.0 45.7 51.2 55.7 1030 251 D L H < S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.779 141.1 3.5 -71.7 -26.8 47.0 53.9 53.3 1031 252 D I H X S- 0 0 71 -4,-3.9 4,-0.7 1,-0.2 -2,-0.2 0.183 103.0-110.5-145.0 22.9 44.9 56.8 54.7 1032 253 D G H X - 0 0 35 -4,-2.4 4,-0.6 -5,-0.4 -1,-0.2 0.039 40.6 -75.3 70.4 174.1 42.9 55.5 57.6 1033 254 D V H > S+ 0 0 38 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.822 122.8 53.6 -80.2 -35.7 39.2 55.0 57.8 1034 255 D E H > S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.907 110.9 44.7 -69.8 -40.1 37.9 58.5 58.1 1035 256 D K H X S+ 0 0 134 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.768 113.9 54.5 -71.7 -23.5 39.7 59.9 55.1 1036 257 D S H X S+ 0 0 0 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.885 108.4 45.4 -76.4 -42.6 38.5 56.7 53.3 1037 258 D K H X S+ 0 0 103 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.903 112.7 52.8 -65.8 -37.2 34.9 57.3 54.2 1038 259 D E H X S+ 0 0 68 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.932 108.5 49.5 -61.0 -45.8 35.4 60.9 53.1 1039 260 D F H X S+ 0 0 31 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.873 106.6 58.5 -63.7 -34.8 36.8 59.6 49.8 1040 261 D A H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.977 107.0 44.3 -60.4 -56.8 33.8 57.4 49.5 1041 262 D D H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.865 110.9 55.3 -57.6 -36.7 31.2 60.3 49.6 1042 263 D R H X S+ 0 0 124 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.948 110.4 46.0 -61.6 -42.6 33.4 62.2 47.3 1043 264 D L H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.923 112.4 49.2 -64.3 -44.7 33.2 59.2 44.8 1044 265 D N H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.860 110.8 51.3 -63.1 -36.5 29.4 58.8 45.3 1045 266 D R H X S+ 0 0 166 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.913 110.9 47.1 -69.4 -39.9 28.9 62.6 44.7 1046 267 D E H X S+ 0 0 47 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.866 109.7 56.5 -65.5 -37.1 30.9 62.4 41.5 1047 268 D A H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.967 109.7 42.9 -57.6 -54.4 29.0 59.4 40.5 1048 269 D Q H < S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.734 107.0 62.1 -66.6 -22.3 25.7 61.1 40.7 1049 270 D E H >< S+ 0 0 115 -4,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.904 99.8 55.7 -68.5 -42.5 27.1 64.2 39.0 1050 271 D Q H >< S+ 0 0 30 -4,-1.7 3,-0.6 -3,-0.4 -1,-0.2 0.730 102.2 56.0 -60.7 -29.0 27.7 62.0 36.0 1051 272 D L G >< S+ 0 0 3 -4,-0.7 3,-1.7 1,-0.2 -1,-0.3 0.430 76.2 90.6 -86.3 -0.0 24.0 61.0 35.8 1052 273 D L G < S+ 0 0 149 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.642 75.5 78.2 -65.2 -8.7 22.9 64.6 35.7 1053 274 D H G < S+ 0 0 73 -3,-0.6 -1,-0.3 -4,-0.2 2,-0.2 0.828 91.8 52.3 -64.5 -36.7 23.3 63.6 32.0 1054 275 D F S < S- 0 0 20 -3,-1.7 -218,-0.0 1,-0.1 -73,-0.0 -0.627 105.7 -83.1 -99.5 162.5 20.0 61.8 32.0 1055 276 D H > - 0 0 127 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.317 42.6-119.2 -61.8 140.4 16.5 63.0 33.1 1056 277 D P H > S+ 0 0 99 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.714 111.7 55.2 -58.9 -16.6 16.2 62.6 36.9 1057 278 D H H 4 S+ 0 0 153 2,-0.2 3,-0.5 1,-0.1 -2,-0.0 0.902 109.7 43.1 -82.8 -44.5 13.3 60.3 36.5 1058 279 D R H 4 S+ 0 0 132 -3,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.898 113.9 55.6 -65.0 -40.9 15.2 57.8 34.3 1059 280 D A H >X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 3,-0.6 0.691 77.7 94.2 -66.0 -24.1 18.2 58.1 36.6 1060 281 D A H 3X S+ 0 0 21 -4,-0.7 4,-2.5 -3,-0.5 -1,-0.2 0.779 83.1 51.1 -45.4 -40.9 16.5 57.2 39.9 1061 282 D P H 3> S+ 0 0 25 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.958 113.0 45.8 -64.8 -44.4 17.4 53.5 39.9 1062 283 D L H <> S+ 0 0 1 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.895 114.0 48.7 -62.7 -40.2 21.1 54.2 39.2 1063 284 D I H X S+ 0 0 46 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.896 111.6 49.0 -65.6 -42.7 21.2 56.9 41.8 1064 285 D A H X S+ 0 0 11 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.912 113.5 48.7 -63.2 -39.6 19.5 54.6 44.3 1065 286 D L H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.815 106.7 54.6 -70.4 -29.1 22.1 52.0 43.3 1066 287 D A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.944 111.9 46.0 -69.1 -39.4 24.9 54.4 43.7 1067 288 D N H X S+ 0 0 51 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.858 110.6 50.5 -69.1 -39.7 23.7 55.1 47.3 1068 289 D Y H X S+ 0 0 62 -4,-2.2 4,-1.4 2,-0.2 3,-0.3 0.957 108.5 52.2 -64.7 -45.0 23.2 51.5 48.2 1069 290 D I H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.5 45.2 -55.8 -31.5 26.8 50.6 47.0 1070 291 D A H < S+ 0 0 13 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.777 124.5 25.0 -85.6 -29.8 27.8 53.5 49.3 1071 292 D Y H < S+ 0 0 137 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.077 81.8 135.6-122.5 9.8 25.8 52.9 52.6 1072 293 D R < - 0 0 11 -4,-1.4 -4,-0.0 1,-0.1 -3,-0.0 -0.463 51.3-143.9 -59.9 143.8 25.2 49.1 52.5 1073 294 D D 0 0 117 -2,-0.1 -1,-0.1 -62,-0.0 -5,-0.0 0.455 360.0 360.0 -88.7 -3.2 25.9 47.5 55.8 1074 295 D N 0 0 76 -67,-0.0 -62,-0.1 -62,-0.0 -61,-0.1 -0.938 360.0 360.0-159.8 360.0 27.4 44.4 54.0