==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-NOV-09 3KRA . COMPND 2 MOLECULE: GERANYL DIPHOSPHATE SYNTHASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: MENTHA X PIPERITA; . AUTHOR T.-H.CHANG,T.-P.KO,F.-L.HSIEH,A.H.-J.WANG . 1086 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 76.2 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 . 25 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 647 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.2 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 1 2 0 1 2 2 1 6 4 3 5 5 1 2 2 3 0 2 3 4 0 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 0 108 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 172.3 12.5 52.8 11.2 2 2 A F + 0 0 204 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.809 360.0 0.1 -96.3 138.5 11.6 51.6 7.7 3 3 A D > + 0 0 102 -2,-0.4 4,-2.2 3,-0.1 -1,-0.2 0.892 61.7 170.2 54.3 55.1 8.2 49.8 7.2 4 4 A F H > S+ 0 0 27 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.920 80.5 55.7 -54.8 -44.3 6.7 49.8 10.7 5 5 A D H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.945 107.9 48.1 -57.3 -45.0 3.5 48.6 9.1 6 6 A G H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.852 109.2 52.7 -64.9 -36.8 5.3 45.6 7.6 7 7 A Y H X S+ 0 0 17 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.953 111.6 46.9 -62.5 -49.4 7.0 44.8 10.8 8 8 A M H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.891 111.6 50.6 -60.8 -41.1 3.6 44.7 12.6 9 9 A L H X S+ 0 0 133 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.881 109.6 50.4 -68.3 -34.9 2.0 42.6 9.9 10 10 A R H X S+ 0 0 142 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.877 111.1 47.8 -71.8 -34.8 4.8 40.1 10.0 11 11 A K H X S+ 0 0 20 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.942 112.1 50.9 -67.5 -42.7 4.6 39.8 13.8 12 12 A A H X S+ 0 0 6 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.872 107.7 52.6 -61.9 -39.5 0.8 39.4 13.6 13 13 A K H X S+ 0 0 134 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.941 110.7 46.5 -63.8 -46.2 1.1 36.6 11.0 14 14 A S H X S+ 0 0 44 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.911 115.4 46.8 -60.3 -43.1 3.5 34.6 13.1 15 15 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.931 109.3 53.4 -65.9 -44.0 1.3 35.0 16.1 16 16 A N H X S+ 0 0 54 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.923 110.1 49.4 -57.4 -39.9 -1.9 34.2 14.2 17 17 A K H X S+ 0 0 119 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.903 112.6 46.5 -65.2 -40.1 -0.2 31.0 13.1 18 18 A A H X S+ 0 0 25 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.856 111.4 51.5 -70.2 -38.1 0.8 30.1 16.7 19 19 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.938 108.8 51.0 -63.9 -48.0 -2.6 30.9 18.1 20 20 A E H < S+ 0 0 34 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.875 113.4 45.9 -55.2 -41.7 -4.3 28.6 15.5 21 21 A A H < S+ 0 0 68 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.858 112.1 50.4 -72.7 -33.6 -2.0 25.8 16.4 22 22 A A H < S+ 0 0 19 -4,-2.0 2,-0.5 1,-0.2 -2,-0.2 0.746 112.7 43.7 -78.1 -26.1 -2.4 26.3 20.2 23 23 A V S < S+ 0 0 2 -4,-1.8 -1,-0.2 -5,-0.1 2,-0.2 -0.802 77.8 172.3-127.1 87.4 -6.2 26.3 20.3 24 24 A Q - 0 0 68 -2,-0.5 2,-0.3 -3,-0.3 -3,-0.1 -0.549 41.7 -94.9 -91.7 154.9 -7.4 23.5 18.1 25 25 A M + 0 0 10 -2,-0.2 2,-0.3 685,-0.1 4,-0.1 -0.542 63.5 141.0 -66.6 138.1 -11.0 22.3 17.7 26 26 A K - 0 0 58 -2,-0.3 6,-0.4 2,-0.2 7,-0.2 -0.952 46.7 -27.0-165.5 170.9 -11.5 19.3 20.0 27 27 A E S S+ 0 0 23 -2,-0.3 407,-0.1 1,-0.2 813,-0.1 -0.438 119.1 45.0 -71.2 139.7 -14.3 18.0 22.3 28 28 A P S > S- 0 0 1 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.539 83.0-168.4 -76.3 126.9 -16.4 19.6 23.7 29 29 A L H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.820 76.6 56.8 -57.9 -41.2 -16.7 21.3 20.3 30 30 A K H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 106.7 48.8 -61.5 -41.3 -18.8 24.3 21.3 31 31 A I H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.970 117.5 40.9 -59.9 -50.4 -16.4 25.5 23.9 32 32 A H H X S+ 0 0 2 -4,-1.7 4,-2.4 -6,-0.4 -2,-0.2 0.845 113.0 54.1 -68.1 -37.4 -13.4 25.3 21.5 33 33 A E H X S+ 0 0 27 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.907 111.2 46.3 -60.4 -44.4 -15.4 26.7 18.6 34 34 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 5,-0.3 0.930 110.4 53.6 -65.5 -46.3 -16.3 29.8 20.9 35 35 A M H >X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 3,-0.5 0.970 115.0 40.0 -52.2 -53.4 -12.6 30.1 22.0 36 36 A R H 3X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.819 103.9 67.9 -66.7 -34.6 -11.5 30.2 18.4 37 37 A Y H 3< S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.5 25.6 -51.8 -42.4 -14.4 32.4 17.1 38 38 A S H X< S+ 0 0 30 -4,-1.5 3,-0.8 -3,-0.5 -2,-0.2 0.824 123.8 50.4 -92.9 -36.5 -13.0 35.3 19.2 39 39 A L H 3< S+ 0 0 0 -4,-2.4 3,-0.3 -5,-0.3 -3,-0.2 0.864 111.8 44.7 -71.1 -39.4 -9.3 34.4 19.4 40 40 A L T 3< S+ 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 0.121 78.8 105.9 -96.6 24.3 -8.6 33.8 15.7 41 41 A A S < S- 0 0 79 -3,-0.8 -1,-0.2 1,-0.3 2,-0.2 0.357 80.8-124.4 -85.9 9.0 -10.5 36.8 14.3 42 42 A G + 0 0 28 -3,-0.3 -1,-0.3 -30,-0.1 3,-0.2 -0.498 44.2 156.3 83.7-154.1 -7.3 38.7 13.4 43 43 A G - 0 0 46 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.542 63.9 -64.2 112.7 171.3 -6.6 42.2 14.7 44 44 A K - 0 0 130 -2,-0.2 -32,-0.1 1,-0.1 -1,-0.1 0.670 52.4-146.0 -69.7 -21.8 -3.3 44.1 15.2 45 45 A R > + 0 0 9 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 0.870 36.5 161.3 52.6 45.4 -2.0 41.8 17.8 46 46 A V H > + 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 67.9 53.3 -62.3 -39.3 -0.3 44.6 19.6 47 47 A R H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 110.5 45.7 -65.2 -45.7 0.1 42.7 22.9 48 48 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.923 113.3 51.8 -60.7 -42.0 1.8 39.8 21.3 49 49 A M H X S+ 0 0 2 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.934 107.6 51.5 -59.6 -46.6 4.0 42.2 19.3 50 50 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.902 111.2 48.0 -55.1 -42.1 5.0 44.0 22.5 51 51 A C H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 116.2 42.3 -66.0 -48.1 6.0 40.7 24.2 52 52 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.943 115.4 49.0 -67.0 -43.5 8.0 39.5 21.2 53 53 A A H X S+ 0 0 3 -4,-3.4 4,-2.4 -5,-0.2 -2,-0.2 0.918 111.0 51.0 -63.7 -37.7 9.6 42.9 20.6 54 54 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.906 111.3 48.3 -67.1 -36.9 10.5 43.2 24.4 55 55 A C H <>S+ 0 0 0 -4,-2.1 5,-3.2 1,-0.2 3,-0.3 0.932 114.8 44.0 -67.6 -47.7 12.2 39.8 24.3 56 56 A E H ><5S+ 0 0 62 -4,-2.7 3,-1.6 3,-0.2 -1,-0.2 0.839 105.2 65.7 -64.8 -33.2 14.1 40.5 21.2 57 57 A L H 3<5S+ 0 0 2 -4,-2.4 204,-0.4 1,-0.3 -1,-0.2 0.883 105.8 40.8 -56.7 -38.8 15.0 43.9 22.6 58 58 A V T 3<5S- 0 0 20 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.208 132.3 -86.1 -97.2 13.1 17.1 42.5 25.4 59 59 A G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.518 88.0 122.9 100.7 7.6 18.7 39.8 23.2 60 60 A G < - 0 0 23 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.250 55.2-111.9 -92.3-176.8 16.1 37.0 23.4 61 61 A D >> - 0 0 79 134,-0.2 4,-1.3 1,-0.1 3,-0.6 -0.894 15.8-117.7-122.6 159.6 14.4 35.3 20.5 62 62 A E H 3> S+ 0 0 49 -2,-0.3 4,-1.4 1,-0.2 3,-0.2 0.840 109.2 60.0 -52.3 -44.5 10.8 35.1 19.2 63 63 A S H 34 S+ 0 0 83 1,-0.2 3,-0.4 2,-0.2 66,-0.2 0.900 103.8 50.5 -55.5 -43.0 10.5 31.4 19.7 64 64 A T H <4 S+ 0 0 16 -3,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.867 116.4 42.2 -62.9 -36.3 11.1 31.7 23.5 65 65 A A H X S+ 0 0 0 -4,-1.3 4,-3.0 -3,-0.2 -1,-0.2 0.597 89.6 91.0 -87.5 -11.7 8.5 34.5 23.8 66 66 A M H X S+ 0 0 26 -4,-1.4 4,-2.8 -3,-0.4 5,-0.3 0.893 83.9 49.1 -59.9 -46.6 5.8 33.0 21.6 67 67 A P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.931 116.0 45.0 -59.3 -41.1 3.8 31.1 24.1 68 68 A A H > S+ 0 0 0 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.894 111.4 53.8 -66.6 -36.4 3.7 34.2 26.4 69 69 A A H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.923 111.6 44.9 -63.3 -43.5 2.8 36.4 23.4 70 70 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.917 109.8 57.8 -64.1 -43.6 -0.1 34.1 22.6 71 71 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.916 104.1 49.0 -52.6 -49.6 -1.1 34.1 26.3 72 72 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.859 111.6 50.0 -64.3 -30.1 -1.5 37.8 26.5 73 73 A E H X S+ 0 0 10 -4,-1.3 4,-3.1 2,-0.2 -1,-0.2 0.848 107.7 54.9 -72.9 -35.5 -3.7 37.8 23.4 74 74 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.928 111.8 44.0 -58.1 -46.4 -5.8 35.0 25.0 75 75 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.961 114.0 49.6 -64.2 -49.3 -6.3 37.2 28.0 76 76 A H H X S+ 0 0 41 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.924 111.8 49.4 -54.6 -47.8 -7.1 40.2 25.8 77 77 A T H X S+ 0 0 9 -4,-3.1 4,-2.2 1,-0.2 3,-0.3 0.921 112.7 45.2 -58.5 -50.4 -9.5 38.2 23.8 78 78 A M H X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.849 106.3 59.7 -68.8 -27.2 -11.5 36.8 26.8 79 79 A S H X S+ 0 0 16 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.898 110.8 43.3 -64.4 -34.0 -11.6 40.2 28.4 80 80 A L H X S+ 0 0 46 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.871 110.8 53.6 -76.2 -38.2 -13.5 41.4 25.3 81 81 A M H X S+ 0 0 2 -4,-2.2 4,-0.5 1,-0.2 20,-0.2 0.935 115.7 40.8 -62.0 -46.2 -15.7 38.3 25.2 82 82 A H H >< S+ 0 0 2 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.873 112.5 55.8 -67.9 -37.1 -16.7 39.0 28.8 83 83 A D H 3< S+ 0 0 18 -4,-2.0 6,-2.4 -5,-0.3 7,-0.2 0.780 102.9 56.1 -66.4 -29.3 -16.9 42.8 28.2 84 84 A D H 3< S+ 0 0 3 -4,-1.9 7,-2.1 5,-0.2 -1,-0.2 0.697 83.8 113.5 -74.0 -23.2 -19.5 42.3 25.3 85 85 A L S X<>S- 0 0 3 -3,-0.7 5,-2.7 -4,-0.5 3,-2.2 -0.049 80.9-109.9 -53.8 152.8 -21.9 40.3 27.5 86 86 A P T 3 5S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 298,-0.1 0.867 118.3 54.9 -53.8 -41.9 -25.4 41.7 28.4 87 87 A C T 3 5S+ 0 0 37 296,-0.1 297,-0.3 2,-0.1 -2,-0.1 0.629 121.6 31.6 -69.1 -7.4 -24.5 42.3 32.0 88 88 A M T < 5S- 0 0 28 -3,-2.2 -4,-0.2 -6,-0.1 -5,-0.1 0.343 139.6 -23.2-113.0-115.8 -21.6 44.3 30.8 89 89 A D T 5S- 0 0 78 -6,-2.4 -5,-0.2 -7,-0.2 -4,-0.1 0.658 74.4-145.8 -76.5 -19.1 -21.4 46.4 27.6 90 90 A N < + 0 0 90 -5,-2.7 2,-0.4 -7,-0.2 -5,-0.2 0.924 30.8 170.9 54.4 59.1 -24.2 44.4 26.0 91 91 A D - 0 0 64 -7,-2.1 -1,-0.2 1,-0.1 11,-0.2 -0.855 29.1-167.5-103.8 135.0 -23.0 44.5 22.4 92 92 A D S S+ 0 0 88 -2,-0.4 7,-1.8 6,-0.1 2,-0.3 0.605 76.6 43.4 -90.6 -20.3 -24.5 42.4 19.6 93 93 A L E -A 98 0A 113 5,-0.3 2,-0.3 -9,-0.1 -1,-0.1 -0.947 51.9-179.9-128.7 150.6 -21.7 43.2 17.2 94 94 A R E > S-A 97 0A 76 3,-2.2 3,-1.6 -2,-0.3 -10,-0.0 -0.935 83.8 -15.7-143.9 117.0 -17.9 43.3 17.3 95 95 A R T 3 S- 0 0 201 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.886 127.5 -52.0 55.1 45.6 -16.2 44.2 14.0 96 96 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.487 120.4 93.1 72.8 1.0 -19.2 43.5 11.8 97 97 A K E < S-A 94 0A 139 -3,-1.6 -3,-2.2 1,-0.0 -1,-0.2 -0.885 88.3 -85.4-123.9 157.7 -19.9 40.0 13.1 98 98 A P E -A 93 0A 65 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.307 52.4-108.9 -56.7 146.7 -22.2 38.8 15.9 99 99 A T >> - 0 0 2 -7,-1.8 4,-1.8 -8,-0.1 3,-0.7 -0.259 36.5 -97.1 -71.1 167.9 -20.5 39.0 19.3 100 100 A N H 3> S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.902 122.9 47.2 -56.6 -50.2 -19.5 35.7 21.0 101 101 A H H 3> S+ 0 0 4 -20,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.743 109.3 56.7 -66.7 -20.6 -22.6 35.3 23.3 102 102 A M H <4 S+ 0 0 107 -3,-0.7 -1,-0.2 -11,-0.2 -2,-0.2 0.841 114.1 39.2 -76.6 -31.5 -24.9 36.1 20.3 103 103 A A H < S+ 0 0 49 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.1 0.897 135.3 16.4 -80.8 -40.4 -23.4 33.3 18.3 104 104 A F H < S- 0 0 21 -4,-2.6 4,-0.4 1,-0.2 -3,-0.2 0.504 109.5 -96.8-115.1 -5.1 -23.0 30.7 21.1 105 105 A G X - 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0 0 66 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.304 38.1 -93.6 -69.1 161.1 -18.3 26.4 49.6 322 41 B A - 0 0 60 -4,-0.1 2,-0.5 -3,-0.1 -32,-0.0 -0.292 35.9-142.0 -66.3 151.9 -15.1 24.6 50.4 323 42 B T >> - 0 0 16 1,-0.1 3,-1.7 -3,-0.1 4,-0.9 -0.986 11.0-137.8-120.0 136.8 -14.0 22.0 47.9 324 43 B A H 3> S+ 0 0 17 -2,-0.5 4,-3.0 1,-0.3 5,-0.2 0.637 97.8 79.7 -62.9 -13.7 -12.3 18.7 49.1 325 44 B A H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.877 95.2 45.3 -61.2 -35.9 -9.9 19.2 46.3 326 45 B S H <> S+ 0 0 4 -3,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.879 113.1 50.0 -71.7 -41.7 -8.0 21.7 48.4 327 46 B T H X S+ 0 0 5 -4,-0.9 4,-2.8 1,-0.2 5,-0.2 0.937 108.4 52.2 -62.5 -45.6 -8.2 19.5 51.5 328 47 B L H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.846 103.6 60.1 -58.6 -34.0 -6.9 16.6 49.5 329 48 B C H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.962 111.5 37.0 -62.4 -51.6 -4.0 18.7 48.4 330 49 B L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.934 116.8 52.2 -67.7 -42.6 -2.7 19.4 52.0 331 50 B A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.905 110.8 48.8 -60.9 -38.2 -3.6 15.8 53.2 332 51 B A H X S+ 0 0 1 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.894 108.2 53.7 -67.0 -40.0 -1.6 14.3 50.3 333 52 B C H <>S+ 0 0 0 -4,-1.9 5,-2.5 -5,-0.2 4,-0.3 0.943 113.3 42.6 -61.3 -46.7 1.4 16.6 50.9 334 53 B E H ><5S+ 0 0 56 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.918 106.9 62.0 -67.1 -39.6 1.5 15.4 54.6 335 54 B L H 3<5S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.870 107.1 44.8 -53.2 -41.8 0.9 11.7 53.6 336 55 B V T 3<5S- 0 0 26 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.478 128.4 -95.6 -86.2 1.2 4.1 11.7 51.6 337 56 B G T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.413 78.6 133.4 108.3 -5.3 6.1 13.4 54.3 338 57 B G < - 0 0 10 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.3 -0.341 61.8-102.3 -77.0 164.6 6.0 17.1 53.2 339 58 B D > - 0 0 100 1,-0.1 3,-2.0 -2,-0.1 4,-0.5 -0.661 30.5-118.3 -83.9 142.5 5.2 20.0 55.6 340 59 B R G > S+ 0 0 36 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 0.830 111.1 61.6 -47.7 -41.2 1.6 21.3 55.3 341 60 B S G >> S+ 0 0 88 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.727 88.8 69.9 -61.3 -24.0 2.9 24.8 54.3 342 61 B Q G <4 S+ 0 0 84 -3,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.757 109.5 34.9 -67.2 -18.9 4.6 23.4 51.2 343 62 B A G <> S+ 0 0 0 -3,-1.5 4,-2.3 -4,-0.5 -1,-0.2 0.391 89.3 96.8-114.2 3.5 1.2 22.8 49.7 344 63 B M H <> S+ 0 0 17 -3,-0.8 4,-2.8 -4,-0.3 5,-0.3 0.916 83.2 50.4 -65.4 -41.5 -0.8 25.7 51.1 345 64 B A H X S+ 0 0 8 -4,-0.5 4,-2.9 1,-0.2 56,-0.2 0.924 112.6 48.4 -62.9 -38.3 -0.5 28.0 48.1 346 65 B A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 111.3 48.8 -67.8 -43.8 -1.6 25.2 45.8 347 66 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.898 113.3 47.9 -62.6 -39.1 -4.6 24.4 48.0 348 67 B A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.930 111.4 50.6 -65.2 -44.2 -5.6 28.1 48.1 349 68 B A H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.912 109.0 52.1 -62.0 -38.6 -5.2 28.3 44.3 350 69 B I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.938 109.5 48.6 -65.3 -40.7 -7.4 25.3 43.9 351 70 B H H X S+ 0 0 14 -4,-2.1 4,-3.6 1,-0.2 -2,-0.2 0.937 111.6 50.7 -62.4 -43.9 -10.1 26.8 46.1 352 71 B L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.928 109.6 48.5 -60.7 -44.3 -9.9 30.1 44.1 353 72 B V H X S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.957 115.6 46.3 -60.1 -45.1 -10.2 28.3 40.7 354 73 B H H X S+ 0 0 31 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.933 111.8 51.0 -62.1 -44.8 -13.2 26.4 42.2 355 74 B A H X S+ 0 0 0 -4,-3.6 4,-2.8 1,-0.2 -1,-0.2 0.928 109.5 49.2 -62.4 -44.7 -14.7 29.6 43.7 356 75 B A H X S+ 0 0 3 -4,-2.9 4,-3.1 -5,-0.2 5,-0.2 0.944 112.1 48.2 -60.1 -43.4 -14.5 31.5 40.4 357 76 B A H X S+ 0 0 13 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.897 111.4 51.7 -63.5 -38.6 -16.2 28.6 38.5 358 77 B Y H X S+ 0 0 48 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.931 111.6 46.3 -64.1 -47.4 -18.9 28.5 41.2 359 78 B V H >< S+ 0 0 4 -4,-2.8 3,-1.1 -5,-0.2 4,-0.4 0.980 115.8 45.9 -60.1 -50.3 -19.6 32.3 40.8 360 79 B H H >< S+ 0 0 8 -4,-3.1 3,-1.3 1,-0.3 -2,-0.2 0.887 107.1 56.6 -62.1 -37.2 -19.6 32.0 37.0 361 80 B E H 3< S+ 0 0 33 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.704 110.6 44.9 -70.8 -16.9 -21.9 29.0 36.9 362 81 B H T << S+ 0 0 29 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.280 80.1 131.1-104.9 5.7 -24.6 30.8 39.0 363 82 B L < - 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0 0 119 -2,-0.5 3,-0.1 -3,-0.2 -3,-0.1 -0.367 31.0-111.5 -58.7 134.4 -1.3 19.4 -8.2 802 261 C P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.317 42.8 -83.7 -68.6 157.0 1.8 19.9 -10.4 803 262 C S - 0 0 110 3,-0.0 2,-0.4 4,-0.0 3,-0.1 -0.416 59.3-177.8 -59.9 127.2 1.7 22.9 -12.9 804 263 C L > - 0 0 98 -2,-0.1 4,-1.3 1,-0.1 3,-0.4 -0.997 40.5-136.5-136.9 140.0 -0.0 21.7 -16.1 805 264 C Y H > S+ 0 0 170 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.873 103.9 67.9 -55.6 -39.0 -0.8 23.2 -19.4 806 265 C A H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 100.5 46.3 -43.3 -59.8 -4.4 21.7 -19.1 807 266 C A H > S+ 0 0 42 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.960 116.8 42.6 -48.1 -64.6 -5.3 24.0 -16.2 808 267 C H H X S+ 0 0 104 -4,-1.3 4,-2.9 1,-0.2 -2,-0.2 0.913 110.4 56.1 -51.6 -52.7 -4.0 27.2 -17.8 809 268 C H H < S+ 0 0 108 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.907 108.5 48.9 -48.7 -49.0 -5.5 26.3 -21.3 810 269 C H H < S+ 0 0 149 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.960 112.8 45.6 -57.0 -53.6 -9.0 26.0 -19.7 811 270 C H H < 0 0 143 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.854 360.0 360.0 -58.9 -33.5 -8.7 29.3 -17.9 812 271 C H < 0 0 180 -4,-2.9 -3,-0.0 -5,-0.2 0, 0.0 -0.104 360.0 360.0 -46.8 360.0 -7.4 30.7 -21.2 813 !* 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 0.0 814 1 D M 0 0 247 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.7 -18.3 -32.9 42.0 815 2 D F - 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0 0 68 -2,-0.6 2,-0.3 -3,-0.2 -3,-0.1 -0.535 40.3 -94.4 -94.4 162.9 -15.5 3.7 29.3 838 25 D M + 0 0 12 -2,-0.2 2,-0.3 -388,-0.1 4,-0.1 -0.578 63.1 137.7 -72.7 135.0 -17.6 6.8 28.8 839 26 D K - 0 0 62 -2,-0.3 6,-0.4 2,-0.2 7,-0.2 -0.942 49.4 -27.7-164.5 172.6 -15.7 9.4 26.9 840 27 D E S S+ 0 0 21 -2,-0.3 -146,-0.1 1,-0.2 -813,-0.1 -0.502 117.8 47.8 -75.6 142.1 -16.4 11.9 24.1 841 28 D P S > S- 0 0 2 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.446 84.3-169.4 -73.3 123.1 -18.6 11.6 21.9 842 29 D L H > S+ 0 0 6 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.835 75.5 52.3 -60.0 -40.3 -20.6 10.8 24.9 843 30 D K H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 107.3 53.6 -69.3 -32.6 -23.8 9.5 23.3 844 31 D I H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.950 116.2 39.1 -63.8 -48.8 -21.9 7.0 21.1 845 32 D H H X S+ 0 0 1 -4,-1.8 4,-2.4 -6,-0.4 5,-0.3 0.899 112.7 55.0 -69.1 -37.4 -20.2 5.6 24.2 846 33 D E H X S+ 0 0 27 -4,-3.3 4,-2.6 -5,-0.2 -1,-0.2 0.943 110.6 48.1 -57.5 -45.7 -23.3 5.8 26.4 847 34 D S H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 5,-0.3 0.915 109.7 50.9 -63.2 -43.3 -25.1 3.7 23.6 848 35 D M H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.949 115.2 43.0 -58.1 -47.9 -22.3 1.1 23.4 849 36 D R H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.871 104.1 65.4 -67.4 -38.0 -22.3 0.6 27.2 850 37 D Y H < S+ 0 0 47 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.913 116.6 27.0 -53.4 -43.5 -26.1 0.6 27.4 851 38 D S H >< S+ 0 0 7 -4,-1.6 3,-0.8 -3,-0.2 -2,-0.2 0.867 123.0 50.5 -91.2 -32.2 -26.2 -2.6 25.4 852 39 D L H 3< S+ 0 0 0 -4,-2.6 3,-0.4 -5,-0.3 -3,-0.2 0.867 113.0 43.8 -72.9 -33.9 -22.9 -4.1 26.3 853 40 D L T 3< S+ 0 0 47 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 0.022 77.1 106.7-103.2 31.8 -23.1 -3.8 30.0 854 41 D A S < S- 0 0 40 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.331 79.5-129.0 -90.1 10.3 -26.7 -5.0 30.5 855 42 D G + 0 0 24 -3,-0.4 -1,-0.3 -30,-0.1 2,-0.2 -0.391 43.6 151.2 79.0-157.0 -25.5 -8.3 32.0 856 43 D G - 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