==== 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 3KRC . COMPND 2 MOLECULE: GERANYL DIPHOSPHATE SYNTHASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: MENTHA X PIPERITA; . AUTHOR T.-H.CHANG,F.-L.HSIEH,T.-P.KO,A.H.-J.WANG . 1086 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 836 77.0 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 . 4 0.4 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 . 24 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 655 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.0 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 1 3 0 1 3 2 1 5 4 2 2 9 1 2 1 2 0 4 5 1 0 1 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 . 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 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 1 A M 0 0 101 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 171.7 12.2 52.4 11.3 2 2 A F + 0 0 203 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.908 360.0 1.1-104.1 134.4 11.3 51.5 7.7 3 3 A D > + 0 0 99 -2,-0.5 4,-2.0 3,-0.1 -1,-0.2 0.927 61.3 171.9 59.7 57.6 8.0 49.8 7.2 4 4 A F H > S+ 0 0 27 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.871 82.9 55.9 -57.7 -42.6 6.4 49.7 10.7 5 5 A D H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.945 107.1 49.6 -58.5 -43.9 3.2 48.4 9.1 6 6 A G H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.890 111.3 49.3 -61.1 -37.5 5.2 45.6 7.5 7 7 A Y H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.928 111.1 48.2 -68.9 -43.5 6.7 44.7 10.8 8 8 A M H X S+ 0 0 29 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.917 112.1 52.0 -63.3 -39.4 3.3 44.7 12.6 9 9 A L H X S+ 0 0 128 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.905 109.2 46.0 -67.4 -40.4 1.9 42.5 9.9 10 10 A R H X S+ 0 0 141 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.855 114.8 49.5 -69.3 -37.0 4.5 39.8 10.0 11 11 A K H X S+ 0 0 22 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.967 109.5 49.1 -68.9 -42.7 4.3 39.7 13.7 12 12 A A H X S+ 0 0 13 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.910 111.2 54.5 -59.9 -37.4 0.5 39.4 13.7 13 13 A K H X S+ 0 0 140 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.900 106.7 46.7 -66.7 -42.5 0.9 36.6 11.2 14 14 A S H X S+ 0 0 42 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.932 114.9 49.6 -63.4 -42.9 3.3 34.6 13.3 15 15 A V H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.947 109.0 51.0 -59.3 -52.3 0.9 35.1 16.2 16 16 A N H X S+ 0 0 53 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.896 109.6 50.1 -53.1 -39.2 -2.1 34.1 14.2 17 17 A K H X S+ 0 0 98 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.952 113.7 45.6 -68.1 -40.9 -0.4 30.9 13.1 18 18 A A H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.873 110.8 52.6 -69.8 -38.2 0.6 30.0 16.7 19 19 A L H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.961 108.6 51.5 -62.0 -45.3 -3.0 30.9 18.1 20 20 A E H < S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.2 44.3 -55.5 -48.7 -4.6 28.5 15.5 21 21 A A H < S+ 0 0 67 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.854 111.6 53.6 -69.4 -33.6 -2.3 25.7 16.5 22 22 A A H < S+ 0 0 19 -4,-2.2 2,-0.6 1,-0.3 -2,-0.2 0.831 113.6 39.5 -69.5 -36.2 -2.7 26.3 20.3 23 23 A V S < S+ 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 2,-0.2 -0.855 77.5 175.3-122.7 86.8 -6.5 26.2 20.4 24 24 A Q - 0 0 61 -2,-0.6 2,-0.3 -3,-0.3 12,-0.1 -0.467 42.1 -96.2 -85.7 159.2 -7.7 23.5 18.1 25 25 A M + 0 0 10 -2,-0.2 2,-0.3 685,-0.1 4,-0.1 -0.658 65.7 141.4 -73.9 137.2 -11.3 22.4 17.7 26 26 A K - 0 0 60 -2,-0.3 6,-0.5 2,-0.2 7,-0.2 -0.954 43.8 -23.3-162.8 169.9 -11.9 19.4 20.0 27 27 A E S S+ 0 0 21 -2,-0.3 407,-0.1 1,-0.2 813,-0.1 -0.409 120.9 41.6 -69.0 134.6 -14.5 18.0 22.4 28 28 A P S > S- 0 0 0 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.450 83.4-169.7 -81.7 132.3 -16.5 19.5 23.7 29 29 A L H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.777 77.2 55.0 -56.6 -39.4 -16.9 21.4 20.4 30 30 A K H > S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 109.6 50.5 -66.8 -41.4 -19.1 24.3 21.3 31 31 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.936 117.5 37.4 -58.7 -48.4 -16.7 25.3 24.0 32 32 A H H X S+ 0 0 3 -4,-1.8 4,-2.8 -6,-0.5 -2,-0.2 0.889 115.1 54.3 -73.5 -34.8 -13.7 25.2 21.6 33 33 A E H X S+ 0 0 26 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.970 110.4 47.3 -57.9 -54.2 -15.6 26.6 18.7 34 34 A S H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 5,-0.3 0.918 110.6 52.0 -57.4 -48.2 -16.6 29.6 20.9 35 35 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.2 3,-0.3 0.963 114.5 43.4 -49.6 -52.7 -13.0 30.1 22.1 36 36 A R H X S+ 0 0 10 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.855 102.4 66.3 -63.6 -37.5 -11.8 30.1 18.5 37 37 A Y H < S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 116.4 27.1 -52.6 -49.1 -14.6 32.4 17.2 38 38 A S H < S+ 0 0 25 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.753 121.0 53.8 -88.0 -25.8 -13.3 35.3 19.2 39 39 A L H < S+ 0 0 0 -4,-2.1 3,-0.4 -5,-0.3 -2,-0.2 0.925 115.9 36.5 -76.4 -42.7 -9.6 34.3 19.5 40 40 A L S < S+ 0 0 46 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.1 0.399 83.5 109.5 -92.3 8.8 -9.0 34.0 15.8 41 41 A A S S- 0 0 49 -5,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.515 87.2-105.6 -63.3 -1.9 -11.3 36.8 14.6 42 42 A G + 0 0 30 -3,-0.4 -1,-0.2 -4,-0.1 2,-0.2 -0.807 51.8 162.2 109.1-160.7 -8.4 39.0 13.6 43 43 A G - 0 0 33 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.386 56.9 -85.7 118.5 162.1 -7.2 42.0 15.5 44 44 A K - 0 0 145 -2,-0.2 -32,-0.1 1,-0.0 -1,-0.1 0.756 48.2-140.7 -75.6 -19.8 -3.9 44.0 15.4 45 45 A R > + 0 0 7 -3,-0.1 4,-1.8 3,-0.1 5,-0.1 0.895 42.9 157.3 61.3 42.7 -2.3 41.6 18.0 46 46 A V H > + 0 0 34 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.869 66.9 51.2 -65.0 -39.7 -0.6 44.5 19.7 47 47 A R H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 110.2 47.8 -66.8 -46.6 -0.1 42.7 23.0 48 48 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.898 114.0 50.1 -59.2 -39.0 1.5 39.6 21.4 49 49 A M H X S+ 0 0 3 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.963 107.8 51.3 -64.2 -50.6 3.8 42.1 19.4 50 50 A L H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.887 111.8 49.5 -52.4 -43.1 4.7 44.0 22.6 51 51 A C H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.950 115.5 40.1 -64.1 -49.6 5.7 40.7 24.2 52 52 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.922 114.3 54.0 -66.9 -42.9 7.8 39.4 21.3 53 53 A A H X S+ 0 0 4 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.931 108.5 49.8 -55.2 -49.8 9.3 42.9 20.7 54 54 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.811 110.9 49.2 -60.4 -36.2 10.4 43.1 24.4 55 55 A C H <>S+ 0 0 0 -4,-1.6 5,-3.8 2,-0.2 3,-0.4 0.920 114.8 43.2 -67.7 -48.3 12.0 39.7 24.3 56 56 A E H ><5S+ 0 0 62 -4,-2.7 3,-2.6 3,-0.2 -2,-0.2 0.915 105.9 65.9 -66.0 -36.7 13.9 40.4 21.1 57 57 A L H 3<5S+ 0 0 3 -4,-2.9 204,-0.4 1,-0.3 -1,-0.2 0.832 107.5 39.0 -51.7 -42.4 14.7 43.8 22.6 58 58 A V T 3<5S- 0 0 21 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.018 132.2 -87.3 -98.3 20.9 16.8 42.3 25.3 59 59 A G T < 5S+ 0 0 52 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.419 86.5 125.3 93.2 0.7 18.3 39.6 23.1 60 60 A G < - 0 0 21 -5,-3.8 2,-0.3 -6,-0.2 -1,-0.2 -0.050 54.9-113.5 -83.3-174.1 15.7 36.8 23.3 61 61 A D >> - 0 0 83 134,-0.1 4,-1.3 1,-0.1 3,-0.8 -0.909 16.4-116.3-126.5 155.8 14.0 35.1 20.5 62 62 A E H 3> S+ 0 0 52 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 0.891 109.6 59.6 -49.3 -47.7 10.4 35.0 19.3 63 63 A S H 34 S+ 0 0 80 1,-0.2 66,-0.3 2,-0.2 -1,-0.2 0.817 103.4 51.2 -55.9 -36.5 10.0 31.3 19.8 64 64 A T H <4 S+ 0 0 16 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.858 118.3 39.9 -67.3 -36.4 10.7 31.6 23.6 65 65 A A H X S+ 0 0 0 -4,-1.3 4,-2.9 -3,-0.4 3,-0.4 0.602 89.5 92.1 -87.2 -13.9 8.2 34.3 23.8 66 66 A M H X S+ 0 0 22 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.838 84.3 50.1 -56.6 -40.8 5.5 33.0 21.6 67 67 A P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 114.7 44.7 -63.7 -44.0 3.4 31.1 24.2 68 68 A A H > S+ 0 0 0 -3,-0.4 4,-2.8 -4,-0.3 5,-0.2 0.881 110.7 54.8 -67.5 -39.3 3.3 34.1 26.4 69 69 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.951 112.7 43.2 -56.8 -47.6 2.6 36.3 23.4 70 70 A C H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.872 110.3 58.4 -64.1 -38.6 -0.4 34.0 22.7 71 71 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.958 105.1 46.7 -60.5 -51.8 -1.3 34.0 26.4 72 72 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.861 112.0 51.3 -59.9 -35.5 -1.7 37.7 26.7 73 73 A E H X S+ 0 0 6 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.3 0.847 107.9 54.1 -67.8 -34.7 -3.8 37.8 23.5 74 74 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 -3,-0.3 -2,-0.2 0.937 110.7 45.7 -62.2 -47.8 -6.0 34.9 25.1 75 75 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.959 112.8 49.5 -58.5 -52.7 -6.6 37.1 28.2 76 76 A H H X S+ 0 0 38 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.907 112.0 49.9 -51.2 -49.6 -7.4 40.1 26.0 77 77 A T H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.921 111.0 47.1 -59.2 -49.9 -9.8 38.0 23.9 78 78 A M H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.851 107.5 57.4 -66.2 -31.3 -11.6 36.6 26.9 79 79 A S H X S+ 0 0 12 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.859 110.6 44.3 -66.9 -31.1 -11.9 40.1 28.5 80 80 A L H X S+ 0 0 47 -4,-1.5 4,-2.5 -3,-0.3 -2,-0.2 0.896 110.1 54.4 -78.1 -36.5 -13.7 41.3 25.4 81 81 A M H < S+ 0 0 2 -4,-2.4 4,-0.4 1,-0.2 20,-0.3 0.887 115.2 39.7 -61.3 -39.9 -15.9 38.2 25.2 82 82 A H H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.813 112.8 58.6 -76.3 -35.3 -17.1 38.8 28.8 83 83 A D H 3< S+ 0 0 13 -4,-1.5 6,-2.6 -5,-0.3 7,-0.4 0.892 100.7 53.3 -65.5 -40.2 -17.2 42.5 28.2 84 84 A D T 3< S+ 0 0 3 -4,-2.5 7,-1.7 5,-0.2 -1,-0.2 0.703 85.9 116.8 -69.6 -15.2 -19.7 42.2 25.3 85 85 A L S X >S- 0 0 2 -3,-0.6 5,-2.5 -4,-0.4 3,-1.2 0.021 81.4-107.6 -49.0 152.6 -22.2 40.2 27.5 86 86 A P T 3 5S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 298,-0.1 0.855 120.4 52.6 -54.8 -35.6 -25.7 41.6 28.4 87 87 A C T 3 5S+ 0 0 34 -5,-0.1 297,-0.2 296,-0.1 -2,-0.1 0.749 122.6 32.2 -71.6 -20.6 -24.7 42.3 32.0 88 88 A M T < 5S- 0 0 29 -3,-1.2 -4,-0.2 -6,-0.2 -5,-0.1 0.456 140.0 -23.7 -99.8-119.1 -21.7 44.2 30.7 89 89 A D T 5S- 0 0 92 -6,-2.6 -5,-0.2 -7,-0.2 -4,-0.1 0.758 70.5-148.0 -68.3 -28.0 -21.7 46.2 27.4 90 90 A N < + 0 0 86 -5,-2.5 2,-0.2 -7,-0.4 -5,-0.2 0.949 32.0 170.8 53.9 53.8 -24.5 44.2 25.9 91 91 A D - 0 0 56 -7,-1.7 -1,-0.2 1,-0.1 11,-0.1 -0.649 29.2-164.8 -91.4 149.1 -23.1 44.5 22.4 92 92 A D S S+ 0 0 92 -2,-0.2 7,-1.5 6,-0.1 2,-0.3 0.562 71.6 44.8-109.1 -14.7 -24.6 42.5 19.5 93 93 A L B +A 98 0A 107 5,-0.3 2,-0.2 3,-0.0 7,-0.1 -0.838 46.5 170.5-129.3 165.4 -21.8 43.1 17.1 94 94 A R S S- 0 0 83 3,-1.2 3,-0.5 -2,-0.3 -10,-0.0 -0.616 85.2 -5.2-172.6 107.5 -18.0 43.1 16.9 95 95 A R S S- 0 0 141 1,-0.2 0, 0.0 -2,-0.2 0, 0.0 0.923 128.1 -60.8 66.5 44.1 -16.2 43.4 13.6 96 96 A G S S+ 0 0 73 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.731 119.2 103.4 55.0 24.9 -19.5 43.3 11.7 97 97 A K S S- 0 0 115 -3,-0.5 -3,-1.2 1,-0.0 -1,-0.2 -0.960 84.9 -84.6-133.3 150.0 -20.1 39.8 13.2 98 98 A P B -A 93 0A 69 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.211 52.4-107.0 -51.9 141.0 -22.4 38.7 16.0 99 99 A T >> - 0 0 1 -7,-1.5 4,-1.6 -8,-0.1 3,-1.4 -0.319 40.1 -95.6 -67.0 159.8 -20.8 39.0 19.4 100 100 A N H 3> S+ 0 0 4 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.860 123.3 44.8 -47.6 -54.4 -19.7 35.7 21.1 101 101 A H H 3> S+ 0 0 6 -20,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.722 106.7 60.9 -65.7 -19.3 -22.8 35.2 23.2 102 102 A M H <4 S+ 0 0 104 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.885 112.9 39.8 -73.3 -31.9 -25.1 36.1 20.3 103 103 A A H < S+ 0 0 48 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.1 0.891 133.6 16.2 -81.9 -38.0 -23.6 33.2 18.5 104 104 A F H < S- 0 0 21 -4,-2.0 4,-0.4 1,-0.2 -3,-0.2 0.408 110.2 -99.1-117.5 -3.7 -23.3 30.4 21.2 105 105 A G X - 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0 0 118 -204,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.469 44.3-131.6 -65.9 136.8 20.4 48.8 20.8 262 277 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.804 103.4 53.2 -59.7 -35.3 18.6 51.3 18.5 263 278 A H H 4 S+ 0 0 168 2,-0.2 -2,-0.1 1,-0.2 -206,-0.0 0.890 111.7 44.3 -73.4 -36.1 17.7 48.7 15.9 264 279 A R H 4 S+ 0 0 96 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.824 117.4 46.6 -76.0 -25.3 16.1 46.4 18.4 265 280 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 3,-0.5 0.778 88.7 87.7 -83.6 -27.0 14.3 49.4 20.0 266 281 A A H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.789 85.1 52.3 -41.4 -44.7 13.2 50.9 16.7 267 282 A P H > S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.957 112.0 45.0 -58.7 -53.4 9.8 48.8 16.6 268 283 A L H > S+ 0 0 1 -3,-0.5 4,-2.4 -4,-0.4 -2,-0.2 0.915 112.8 50.6 -58.6 -49.8 8.7 49.9 20.1 269 284 A I H X S+ 0 0 53 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.889 112.6 47.3 -54.7 -45.0 9.6 53.6 19.4 270 285 A A H X S+ 0 0 14 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.893 108.7 54.2 -70.1 -35.1 7.6 53.5 16.1 271 286 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.935 107.9 51.1 -60.4 -42.3 4.8 51.9 17.9 272 287 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 111.8 45.6 -62.1 -45.7 4.8 54.7 20.4 273 288 A N H X S+ 0 0 53 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.872 110.2 54.5 -65.6 -36.5 4.8 57.4 17.7 274 289 A Y H X S+ 0 0 100 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.919 109.7 47.3 -65.0 -40.0 2.0 55.5 15.9 275 290 A I H < S+ 0 0 15 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.953 114.0 48.1 -65.8 -44.9 -0.0 55.6 19.1 276 291 A A H < S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 123.1 29.0 -64.9 -35.8 0.7 59.3 19.6 277 292 A Y H < S+ 0 0 142 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.351 77.0 133.8-113.6 11.8 -0.1 60.5 16.0 278 293 A R < - 0 0 25 -4,-1.2 -54,-0.1 -3,-0.4 -4,-0.0 -0.335 49.3-143.6 -61.8 144.4 -2.7 58.2 14.5 279 294 A D 0 0 129 -55,-0.0 -1,-0.1 1,-0.0 -2,-0.0 0.638 360.0 360.0 -81.0 -17.3 -5.6 60.1 12.8 280 295 A N 0 0 152 -52,-0.1 -56,-0.0 -55,-0.0 -55,-0.0 -0.922 360.0 360.0-135.0 360.0 -8.2 57.5 13.9 281 !* 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 0.0 282 1 B M 0 0 93 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.0 -12.2 11.0 61.8 283 2 B Q > + 0 0 151 3,-0.1 4,-2.2 2,-0.0 5,-0.1 0.550 360.0 60.4-136.4 -39.2 -13.4 14.6 62.0 284 3 B P H > S+ 0 0 103 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.946 103.2 51.0 -64.0 -47.5 -10.8 16.9 63.8 285 4 B Y H > S+ 0 0 60 1,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.924 114.1 44.8 -55.0 -46.0 -7.9 16.4 61.4 286 5 B W H >> S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.933 112.6 53.0 -65.9 -41.7 -10.1 17.2 58.4 287 6 B A H 3X S+ 0 0 54 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.901 105.1 51.7 -58.8 -48.7 -11.6 20.2 60.2 288 7 B A H 3X S+ 0 0 49 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.727 107.5 57.7 -61.2 -23.6 -8.2 21.8 61.1 289 8 B I H > S- 0 0 34 0, 0.0 4,-1.9 0, 0.0 3,-1.8 0.331 73.4-178.8 -91.1 126.9 -10.6 50.0 46.2 307 26 B E H 3> S+ 0 0 107 1,-0.3 4,-2.6 2,-0.2 -3,-0.0 0.799 79.4 68.5 -54.7 -29.5 -13.4 48.3 48.2 308 27 B T H 34 S+ 0 0 53 2,-0.2 -1,-0.3 3,-0.2 5,-0.1 0.842 111.7 33.4 -63.3 -27.4 -15.5 47.9 45.1 309 28 B V H <> S+ 0 0 4 -3,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.918 127.6 35.3 -85.8 -63.4 -12.9 45.4 43.8 310 29 B F H X S+ 0 0 9 -4,-1.9 4,-2.2 -6,-0.4 5,-0.3 0.766 106.7 68.3 -67.6 -26.4 -11.8 43.7 47.1 311 30 B G H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.975 112.5 30.4 -54.9 -58.3 -15.2 43.8 48.8 312 31 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.829 113.9 62.3 -74.6 -29.9 -16.7 41.3 46.4 313 32 B M H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.976 112.9 37.6 -55.8 -51.0 -13.5 39.4 45.7 314 33 B H H X S+ 0 0 40 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.946 115.4 52.6 -65.9 -48.8 -13.4 38.5 49.4 315 34 B H H X S+ 0 0 61 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.912 114.9 41.8 -55.7 -42.7 -17.1 37.9 49.8 316 35 B L H X S+ 0 0 10 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.801 105.4 62.6 -78.5 -28.8 -17.2 35.5 46.9 317 36 B T H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.923 118.3 30.4 -61.2 -37.9 -14.0 33.7 47.8 318 37 B F H < S+ 0 0 50 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.611 107.0 66.6-100.3 -11.0 -15.8 32.7 51.0 319 38 B A H < S+ 0 0 52 -4,-1.4 -1,-0.2 -5,-0.2 -3,-0.2 0.630 86.9 91.2 -77.8 -16.8 -19.5 32.4 50.0 320 39 B A S < S- 0 0 7 -4,-0.8 35,-0.1 -5,-0.1 3,-0.1 -0.675 91.0-108.9 -82.3 131.5 -18.4 29.5 47.8 321 40 B P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.157 37.9-102.9 -55.0 152.7 -18.6 26.1 49.5 322 41 B A - 0 0 63 -4,-0.1 2,-0.4 -3,-0.1 -32,-0.0 -0.391 34.5-140.3 -73.8 158.9 -15.3 24.5 50.4 323 42 B T >> - 0 0 17 1,-0.1 3,-1.4 -3,-0.1 4,-1.0 -0.988 11.7-135.8-124.0 139.1 -14.2 21.8 48.0 324 43 B A H 3> S+ 0 0 15 -2,-0.4 4,-3.7 1,-0.3 5,-0.3 0.661 99.7 77.9 -61.8 -17.5 -12.5 18.6 49.2 325 44 B A H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.877 97.0 44.1 -59.8 -40.5 -10.1 19.0 46.3 326 45 B S H <> S+ 0 0 4 -3,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.862 115.7 48.8 -70.9 -40.6 -8.3 21.7 48.4 327 46 B T H X S+ 0 0 9 -4,-1.0 4,-2.7 1,-0.2 5,-0.2 0.957 109.4 51.1 -63.4 -51.2 -8.5 19.4 51.5 328 47 B L H X S+ 0 0 1 -4,-3.7 4,-1.9 1,-0.2 -1,-0.2 0.815 103.7 60.7 -57.1 -33.4 -7.2 16.4 49.6 329 48 B C H X S+ 0 0 0 -4,-1.1 4,-1.2 -5,-0.3 -1,-0.2 0.971 110.0 39.4 -63.0 -49.4 -4.3 18.5 48.3 330 49 B L H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 5,-0.2 0.909 114.5 52.5 -64.5 -44.7 -3.0 19.2 51.9 331 50 B A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.873 109.0 51.3 -62.0 -33.9 -3.7 15.7 53.2 332 51 B A H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.785 105.3 54.8 -73.8 -29.6 -1.8 14.2 50.4 333 52 B C H <>S+ 0 0 0 -4,-1.2 5,-1.8 -3,-0.2 4,-0.2 0.916 113.9 41.5 -69.2 -41.1 1.3 16.4 50.9 334 53 B E H ><5S+ 0 0 57 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.930 107.2 63.1 -71.1 -42.0 1.5 15.2 54.6 335 54 B L H 3<5S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.882 107.2 43.5 -51.3 -40.5 0.7 11.7 53.5 336 55 B V T 3<5S- 0 0 26 -4,-1.6 -1,-0.3 135,-0.1 -2,-0.2 0.426 128.1 -92.1 -88.7 0.7 3.9 11.6 51.5 337 56 B G T < 5S+ 0 0 68 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.187 82.0 125.0 116.5 -22.7 6.1 13.3 54.2 338 57 B G < - 0 0 11 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.3 -0.165 64.5 -98.2 -71.4 163.5 6.0 17.0 53.3 339 58 B D > - 0 0 102 1,-0.1 3,-1.4 136,-0.0 4,-0.3 -0.605 29.2-121.0 -83.5 140.9 5.0 19.9 55.6 340 59 B R T >> S+ 0 0 35 -2,-0.3 3,-1.7 1,-0.3 4,-0.5 0.855 110.2 60.3 -50.7 -39.2 1.4 21.3 55.3 341 60 B S H >> S+ 0 0 88 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.823 89.8 69.9 -61.1 -29.8 2.7 24.8 54.3 342 61 B Q H <4 S+ 0 0 84 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.670 110.1 33.9 -63.0 -13.7 4.4 23.4 51.3 343 62 B A H <> S+ 0 0 0 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.3 0.348 89.6 99.1-120.0 -0.4 1.0 22.8 49.7 344 63 B M H S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 110.8 49.7 -64.3 -44.2 -1.8 25.1 45.8 347 66 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.949 110.6 48.8 -64.6 -42.8 -4.7 24.3 48.0 348 67 B A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.954 111.3 52.3 -58.5 -44.7 -5.8 28.0 48.1 349 68 B A H X S+ 0 0 0 -4,-2.7 4,-3.0 48,-0.3 5,-0.3 0.905 107.5 50.7 -54.1 -46.6 -5.5 28.1 44.3 350 69 B I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.934 111.2 49.0 -60.7 -39.6 -7.7 25.1 43.9 351 70 B H H X S+ 0 0 12 -4,-2.2 4,-4.0 1,-0.2 5,-0.2 0.964 111.3 49.3 -65.3 -49.2 -10.3 26.8 46.2 352 71 B L H X S+ 0 0 0 -4,-3.1 4,-3.4 2,-0.2 -1,-0.2 0.896 111.8 47.4 -55.2 -45.2 -10.1 30.0 44.2 353 72 B V H X S+ 0 0 9 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.944 116.3 45.2 -62.6 -46.2 -10.5 28.2 40.8 354 73 B H H X S+ 0 0 33 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.959 114.5 49.5 -59.6 -47.9 -13.4 26.2 42.3 355 74 B A H X S+ 0 0 0 -4,-4.0 4,-2.5 -5,-0.2 -2,-0.2 0.920 109.7 50.3 -59.2 -44.7 -14.8 29.4 43.8 356 75 B A H X S+ 0 0 3 -4,-3.4 4,-2.5 -5,-0.2 -1,-0.2 0.937 112.8 46.5 -60.9 -43.3 -14.5 31.3 40.6 357 76 B A H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.866 109.5 54.3 -64.8 -38.6 -16.4 28.5 38.7 358 77 B Y H X S+ 0 0 44 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.930 110.4 47.0 -60.5 -47.5 -19.1 28.3 41.4 359 78 B V H >< S+ 0 0 5 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.958 114.0 47.0 -61.2 -49.5 -19.7 32.0 41.0 360 79 B H H >< S+ 0 0 9 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.830 106.4 57.9 -64.7 -33.4 -19.8 31.8 37.2 361 80 B E H 3< S+ 0 0 34 -4,-2.7 -1,-0.3 1,-0.2 12,-0.2 0.710 107.9 46.8 -70.6 -16.3 -22.1 28.8 37.2 362 81 B H T << S+ 0 0 31 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.224 79.5 133.6-109.8 14.1 -24.8 30.6 39.1 363 82 B L < - 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0 0 12 -5,-1.4 2,-0.6 137,-0.5 -1,-0.3 0.093 66.2-110.8 -59.1 173.3 8.6 -0.7 0.4 599 58 C D >> - 0 0 101 135,-0.2 3,-3.8 1,-0.1 4,-0.6 -0.951 23.2-131.6-109.9 114.0 6.8 -2.4 -2.5 600 59 C R H >> S+ 0 0 49 -2,-0.6 3,-1.1 1,-0.3 4,-0.6 0.727 102.4 76.0 -36.1 -29.0 3.2 -1.3 -2.7 601 60 C S H 34 S+ 0 0 77 1,-0.3 4,-0.4 2,-0.2 3,-0.4 0.780 90.8 51.6 -58.5 -30.3 2.4 -5.0 -2.9 602 61 C Q H <4 S+ 0 0 51 -3,-3.8 4,-0.3 1,-0.2 -1,-0.3 0.718 109.4 51.0 -79.7 -19.9 3.0 -5.5 0.8 603 62 C A H S+ 0 0 6 -4,-0.4 4,-2.0 1,-0.2 56,-0.2 0.923 114.2 47.1 -58.4 -40.4 -4.0 -6.0 2.0 606 65 C A H > S+ 0 0 1 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.825 109.4 52.3 -69.6 -37.6 -4.1 -2.9 4.2 607 66 C A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.922 111.4 47.5 -63.5 -45.3 -5.2 -0.6 1.3 608 67 C A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.898 112.4 50.3 -59.2 -43.4 -8.1 -3.1 0.6 609 68 C A H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.871 109.3 51.0 -67.8 -38.4 -9.0 -3.1 4.3 610 69 C I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.918 111.2 46.3 -66.2 -43.3 -9.0 0.6 4.5 611 70 C H H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.925 113.3 51.6 -63.8 -39.8 -11.3 0.9 1.5 612 71 C L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.918 107.6 49.8 -64.2 -44.4 -13.5 -1.8 3.0 613 72 C V H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.913 114.7 47.6 -60.4 -41.6 -13.8 -0.1 6.4 614 73 C H H X S+ 0 0 30 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.880 108.9 52.6 -67.0 -38.0 -14.7 3.1 4.5 615 74 C A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.938 109.1 49.1 -64.9 -48.4 -17.3 1.3 2.3 616 75 C A H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.911 112.1 49.8 -57.5 -41.3 -19.1 -0.2 5.2 617 76 C A H X S+ 0 0 13 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.871 109.1 52.8 -63.9 -37.4 -19.2 3.2 6.8 618 77 C Y H X S+ 0 0 52 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.916 109.9 46.5 -62.0 -48.5 -20.5 4.7 3.6 619 78 C V H >< S+ 0 0 7 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.948 112.2 50.2 -61.4 -49.2 -23.4 2.3 3.3 620 79 C H H >< S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.858 105.5 56.6 -59.8 -37.6 -24.4 2.8 6.9 621 80 C E H 3< S+ 0 0 46 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.676 110.6 45.1 -63.9 -23.7 -24.3 6.5 6.7 622 81 C H T << S+ 0 0 23 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.316 81.1 135.8-107.1 8.7 -26.9 6.3 3.8 623 82 C L < - 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0 0 19 -5,-1.3 2,-0.2 -6,-0.2 -1,-0.1 0.185 38.7-114.4 -49.0 173.8 9.8 3.1 7.7 738 197 C A > - 0 0 58 1,-0.0 4,-2.1 -142,-0.0 3,-0.3 -0.604 35.8 -94.0-105.0 172.6 11.1 4.4 11.0 739 198 C E H > S+ 0 0 110 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.759 117.7 55.4 -61.8 -35.2 9.0 6.2 13.6 740 199 C E H > S+ 0 0 130 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.915 112.1 43.8 -68.0 -42.0 9.7 9.8 12.7 741 200 C E H >> S+ 0 0 73 -3,-0.3 4,-3.0 2,-0.2 3,-2.3 0.992 111.3 53.7 -64.7 -56.9 8.7 9.3 9.1 742 201 C I H 3X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.898 109.1 51.2 -38.7 -52.6 5.5 7.3 10.1 743 202 C Q H 3X S+ 0 0 87 -4,-2.3 4,-1.4 1,-0.2 -1,-0.3 0.746 113.4 43.7 -63.4 -22.7 4.6 10.2 12.3 744 203 C K H X S+ 0 0 7 -4,-1.7 3,-1.2 -5,-0.2 4,-0.9 0.915 107.6 50.1 -64.2 -43.1 -13.5 20.0 2.9 759 218 C M H >< S+ 0 0 75 -4,-2.0 3,-0.8 1,-0.3 -2,-0.2 0.914 108.2 53.6 -59.7 -45.5 -13.4 19.9 -0.9 760 219 C E T 3< S+ 0 0 96 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.542 112.4 43.8 -70.8 -3.9 -16.1 17.3 -0.8 761 220 C M T X> S+ 0 0 16 -3,-1.2 3,-2.0 -4,-0.4 4,-1.5 0.520 88.1 83.8-113.9 -8.4 -18.4 19.5 1.3 762 221 C K T << S+ 0 0 46 -4,-0.9 -2,-0.1 -3,-0.8 5,-0.1 0.505 89.6 59.2 -70.5 -2.1 -17.7 22.8 -0.6 763 222 C N T 34 S+ 0 0 137 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.170 113.4 35.3-107.7 10.7 -20.5 21.4 -2.9 764 223 C S T <4 S+ 0 0 67 -3,-2.0 -2,-0.2 -129,-0.0 -59,-0.2 0.422 128.6 28.9-137.9 -17.1 -23.0 21.3 -0.0 765 224 C H S < S- 0 0 41 -4,-1.5 3,-0.4 -61,-0.1 -2,-0.1 -0.376 78.3-153.9-148.5 60.8 -22.1 24.4 2.1 766 225 C Q + 0 0 150 1,-0.2 -3,-0.1 2,-0.1 -4,-0.1 -0.094 66.3 87.5 -42.5 122.9 -20.6 27.0 -0.2 767 226 C L + 0 0 105 -5,-0.1 2,-0.6 -58,-0.0 -1,-0.2 0.131 41.4 151.0 168.1 -20.7 -18.3 29.2 1.9 768 227 C I - 0 0 11 -3,-0.4 2,-0.2 -10,-0.1 -2,-0.1 -0.027 36.8-151.1 -37.9 82.7 -14.9 27.3 1.7 769 228 C D >> - 0 0 78 -2,-0.6 3,-2.3 1,-0.2 4,-1.0 -0.433 18.5-126.5 -65.7 130.9 -12.6 30.3 2.1 770 229 C E H 3> S+ 0 0 123 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.444 106.2 76.0 -58.3 3.6 -9.3 29.6 0.3 771 230 C N H 3> S+ 0 0 105 2,-0.2 4,-2.6 3,-0.2 -1,-0.3 0.863 94.2 45.7 -82.4 -39.9 -7.8 30.5 3.6 772 231 C I H <> S+ 0 0 12 -3,-2.3 4,-2.7 2,-0.2 5,-0.3 0.970 115.4 46.8 -66.5 -53.0 -8.8 27.1 5.1 773 232 C I H X S+ 0 0 19 -4,-1.0 4,-3.1 2,-0.2 5,-0.2 0.910 112.3 49.5 -51.6 -51.7 -7.5 25.3 2.0 774 233 C G H X S+ 0 0 25 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.944 111.6 52.5 -54.6 -47.9 -4.3 27.3 2.1 775 234 C K H X S+ 0 0 83 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.924 113.9 38.4 -51.5 -56.0 -4.0 26.4 5.8 776 235 C L H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.909 115.2 55.0 -65.8 -40.1 -4.4 22.7 5.4 777 236 C K H X S+ 0 0 71 -4,-3.1 4,-2.1 -5,-0.3 5,-0.2 0.927 110.7 44.4 -59.1 -48.6 -2.3 22.7 2.2 778 237 C E H X S+ 0 0 100 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.959 112.0 52.8 -59.8 -54.8 0.6 24.4 4.0 779 238 C L H X S+ 0 0 47 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.863 111.3 48.5 -49.9 -38.6 0.3 22.2 7.0 780 239 C A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.937 110.1 46.6 -70.3 -50.5 0.5 19.1 4.8 781 240 C L H X S+ 0 0 65 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.857 108.4 58.4 -60.7 -39.0 3.5 20.0 2.6 782 241 C E H >< S+ 0 0 113 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.955 105.6 48.3 -55.6 -53.7 5.4 21.0 5.7 783 242 C E H 3< S+ 0 0 25 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.932 107.2 58.2 -53.4 -45.4 5.0 17.5 7.2 784 243 C L H >< S+ 0 0 13 -4,-2.0 3,-0.7 -5,-0.1 -1,-0.3 0.786 79.4 117.0 -56.5 -31.0 6.1 16.2 3.9 785 244 C G T << + 0 0 53 -4,-1.4 -3,-0.0 -3,-1.0 -41,-0.0 -0.084 64.8 40.4 -43.2 132.3 9.4 18.0 4.1 786 245 C G T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.473 83.8 97.2 105.9 6.7 12.4 15.7 4.2 787 246 C F < + 0 0 25 -3,-0.7 5,-0.3 5,-0.1 -2,-0.1 0.362 52.7 175.3-111.0 9.3 11.4 13.0 1.7 788 247 C H + 0 0 176 4,-0.1 2,-0.3 3,-0.1 3,-0.1 0.407 29.7 79.8 -14.2 131.8 13.2 14.2 -1.4 789 248 C G S > S- 0 0 48 1,-0.2 4,-0.9 2,-0.1 -2,-0.1 -0.920 88.3 -68.1 151.1-177.0 13.0 12.0 -4.5 790 249 C K H >> S+ 0 0 171 -2,-0.3 4,-1.2 2,-0.2 3,-1.1 0.979 130.0 42.7 -67.7 -62.6 11.0 10.9 -7.5 791 250 C N H 3> S+ 0 0 48 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.827 110.1 58.5 -54.0 -35.9 8.3 9.1 -5.5 792 251 C A H 3> S+ 0 0 10 -5,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.822 97.9 60.7 -64.8 -32.3 8.3 12.1 -3.0 793 252 C E H X S+ 0 0 41 -4,-1.2 4,-1.3 2,-0.2 3,-0.6 0.884 104.5 56.7 -53.4 -51.9 4.2 12.3 -6.4 795 254 C M H >X S+ 0 0 4 -4,-1.7 3,-1.6 1,-0.3 4,-0.7 0.971 106.6 48.2 -47.9 -65.7 3.1 12.4 -2.8 796 255 C S H 3X S+ 0 0 28 -4,-1.7 4,-2.7 1,-0.3 -1,-0.3 0.735 101.4 68.2 -49.8 -25.6 3.1 16.2 -2.6 797 256 C S H << S+ 0 0 10 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.926 90.1 61.6 -61.5 -43.5 1.1 16.2 -5.9 798 257 C L H << S+ 0 0 13 -3,-1.6 -1,-0.2 -4,-1.3 -2,-0.2 0.923 114.8 33.4 -44.9 -53.8 -1.9 14.7 -4.1 799 258 C V H < S+ 0 0 10 -4,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.884 131.4 29.3 -71.6 -46.7 -2.1 17.8 -1.8 800 259 C A S < S- 0 0 22 -4,-2.7 -1,-0.2 -23,-0.1 -2,-0.0 -0.959 86.7-127.8-124.2 113.9 -0.9 20.4 -4.3 801 260 C E - 0 0 127 -2,-0.5 -3,-0.1 -3,-0.2 2,-0.1 -0.227 28.7-115.4 -57.2 141.2 -1.6 19.8 -8.0 802 261 C P - 0 0 62 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.374 41.5 -83.9 -76.0 162.1 1.5 20.1 -10.3 803 262 C S + 0 0 114 -2,-0.1 2,-0.4 3,-0.0 3,-0.0 -0.540 57.9 178.3 -68.2 116.4 1.6 22.9 -12.9 804 263 C L >> - 0 0 101 -2,-0.5 3,-0.7 1,-0.1 4,-0.5 -0.944 37.1-139.0-124.1 146.6 -0.2 21.7 -16.1 805 264 C Y H >> S+ 0 0 163 -2,-0.4 4,-2.5 1,-0.2 3,-0.7 0.797 101.4 66.3 -68.1 -31.0 -0.9 23.4 -19.4 806 265 C A H 3> S+ 0 0 67 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.736 99.2 51.0 -62.4 -26.8 -4.5 21.9 -19.4 807 266 C A H <> S+ 0 0 47 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.651 114.4 42.6 -84.2 -21.9 -5.5 24.1 -16.4 808 267 C H H + 0 0 107 -2,-0.6 4,-2.0 1,-0.2 3,-0.1 -0.637 23.1 174.7 -85.7 83.7 -20.2 -26.7 40.8 817 4 D F H > S+ 0 0 103 -2,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.832 73.8 55.5 -58.0 -39.2 -21.2 -25.3 37.4 818 5 D D H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 111.0 43.2 -64.1 -44.5 -23.5 -22.6 38.9 819 6 D G H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 110.8 55.9 -67.8 -39.9 -20.8 -21.1 41.0 820 7 D Y H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.904 110.0 45.8 -55.2 -49.1 -18.1 -21.3 38.2 821 8 D M H X S+ 0 0 16 -4,-1.9 4,-3.2 2,-0.2 5,-0.4 0.900 108.5 54.2 -65.0 -44.0 -20.3 -19.3 35.8 822 9 D L H X S+ 0 0 127 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.933 112.7 45.5 -57.9 -44.3 -21.3 -16.6 38.3 823 10 D R H X S+ 0 0 140 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 114.6 46.0 -67.7 -42.8 -17.6 -16.1 38.9 824 11 D K H X S+ 0 0 6 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.991 116.8 44.9 -62.3 -53.7 -16.7 -16.1 35.1 825 12 D A H X S+ 0 0 18 -4,-3.2 4,-3.3 1,-0.2 5,-0.3 0.850 112.0 53.1 -51.8 -43.5 -19.6 -13.8 34.3 826 13 D K H X S+ 0 0 146 -4,-2.4 4,-1.7 -5,-0.4 -1,-0.2 0.967 113.0 44.0 -62.4 -44.8 -18.7 -11.6 37.2 827 14 D S H X S+ 0 0 39 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.914 114.1 48.9 -67.8 -43.3 -15.1 -11.4 35.9 828 15 D V H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.934 109.4 52.1 -61.1 -48.6 -16.2 -10.8 32.3 829 16 D N H X S+ 0 0 57 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.869 107.6 53.4 -55.5 -39.0 -18.7 -8.0 33.3 830 17 D K H X S+ 0 0 99 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.933 110.9 46.0 -64.4 -41.0 -15.9 -6.3 35.2 831 18 D A H X S+ 0 0 24 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.840 111.7 51.3 -71.4 -32.5 -13.6 -6.4 32.2 832 19 D L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.940 109.5 49.7 -71.1 -44.5 -16.4 -5.1 29.8 833 20 D E H < S+ 0 0 30 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.925 113.9 46.5 -62.8 -36.4 -17.2 -2.2 32.0 834 21 D A H < S+ 0 0 64 -4,-1.7 3,-0.2 -5,-0.2 -1,-0.2 0.878 110.5 52.7 -74.2 -33.1 -13.5 -1.3 32.2 835 22 D A H < S+ 0 0 19 -4,-2.1 2,-0.5 1,-0.2 -1,-0.2 0.733 111.1 44.8 -76.3 -19.9 -13.0 -1.6 28.5 836 23 D V S < S+ 0 0 5 -4,-1.5 -1,-0.2 -3,-0.3 2,-0.2 -0.832 75.0 169.9-128.6 88.3 -15.8 0.7 27.4 837 24 D Q - 0 0 66 -2,-0.5 2,-0.3 -3,-0.2 12,-0.1 -0.456 41.8 -94.3 -90.2 167.1 -15.8 3.8 29.4 838 25 D M + 0 0 11 -2,-0.2 2,-0.3 -388,-0.1 4,-0.1 -0.642 63.1 136.8 -83.4 139.7 -17.8 7.0 28.8 839 26 D K - 0 0 65 -2,-0.3 6,-0.4 2,-0.2 7,-0.1 -0.931 48.9 -23.1-169.6 171.1 -15.9 9.5 26.9 840 27 D E S S+ 0 0 19 -2,-0.3 2,-0.1 1,-0.2 -146,-0.1 -0.510 120.4 44.3 -71.7 136.7 -16.6 11.9 24.0 841 28 D P S > S- 0 0 0 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.434 83.3-171.6 -78.2 127.9 -18.7 11.6 22.0 842 29 D L H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.864 76.6 53.6 -55.3 -49.3 -20.8 10.7 25.0 843 30 D K H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.888 108.8 50.5 -58.0 -43.7 -24.0 9.5 23.3 844 31 D I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.963 115.5 42.6 -62.1 -47.8 -22.1 7.0 21.2 845 32 D H H X S+ 0 0 3 -4,-1.9 4,-2.3 -6,-0.4 -2,-0.2 0.885 111.5 54.2 -69.5 -30.5 -20.3 5.6 24.2 846 33 D E H X S+ 0 0 26 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.943 110.1 47.7 -64.4 -48.2 -23.5 5.7 26.3 847 34 D S H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 5,-0.3 0.935 110.3 51.6 -56.5 -47.8 -25.3 3.6 23.6 848 35 D M H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.944 116.1 41.9 -55.2 -47.1 -22.4 1.1 23.4 849 36 D R H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.847 104.7 64.0 -69.6 -37.0 -22.5 0.7 27.1 850 37 D Y H < S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 117.0 28.9 -56.6 -40.1 -26.3 0.6 27.4 851 38 D S H >< S+ 0 0 15 -4,-1.8 3,-0.6 -3,-0.2 -1,-0.2 0.776 119.9 54.1 -93.2 -25.6 -26.4 -2.6 25.4 852 39 D L H 3< S+ 0 0 0 -4,-1.9 3,-0.3 -5,-0.3 -3,-0.2 0.936 116.9 34.2 -78.1 -41.3 -23.1 -4.1 26.3 853 40 D L T 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.194 83.9 111.9 -99.0 24.0 -23.4 -4.0 30.0 854 41 D A S < S- 0 0 24 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.338 88.5-101.4 -75.8 8.4 -27.2 -4.7 30.0 855 42 D G + 0 0 30 -3,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.164 56.1 158.4 85.0 146.1 -26.7 -8.1 31.6 856 43 D G - 0 0 39 -3,-0.1 -1,-0.1 1,-0.0 -4,-0.0 -0.881 56.1 -86.4 170.7 172.4 -26.8 -11.3 29.7 857 44 D K - 0 0 47 -2,-0.3 -32,-0.1 1,-0.0 -1,-0.0 0.679 42.7-142.5 -78.2 -21.5 -25.4 -14.8 30.2 858 45 D R > + 0 0 5 1,-0.1 4,-2.1 3,-0.1 5,-0.1 0.826 45.0 151.8 61.2 34.9 -21.9 -14.2 28.7 859 46 D V H > + 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.890 68.3 50.6 -58.9 -44.6 -21.9 -17.7 27.2 860 47 D R H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 112.2 44.8 -65.4 -50.5 -19.6 -16.6 24.3 861 48 D P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.892 115.3 50.8 -63.2 -33.0 -17.0 -14.9 26.6 862 49 D M H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.901 107.5 51.2 -70.5 -35.5 -17.2 -18.0 28.9 863 50 D L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.941 111.0 50.8 -62.3 -42.7 -16.7 -20.4 26.0 864 51 D C H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.956 113.1 42.9 -58.5 -54.8 -13.6 -18.4 25.1 865 52 D I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.816 112.6 52.8 -64.2 -33.1 -12.1 -18.4 28.5 866 53 D A H X S+ 0 0 4 -4,-2.2 4,-3.4 -5,-0.2 -1,-0.2 0.956 109.1 49.0 -70.6 -43.6 -12.9 -22.1 29.1 867 54 D A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.876 112.1 48.8 -60.7 -40.5 -11.2 -23.2 25.9 868 55 D C H <>S+ 0 0 0 -4,-1.9 5,-2.1 -5,-0.2 4,-0.3 0.964 115.5 44.0 -63.7 -48.9 -8.1 -21.2 26.6 869 56 D E H ><5S+ 0 0 62 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.913 107.7 60.4 -60.6 -45.7 -7.9 -22.6 30.2 870 57 D L H 3<5S+ 0 0 8 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 107.0 44.9 -51.3 -45.8 -8.7 -26.2 29.0 871 58 D V T 3<5S- 0 0 20 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.403 131.9 -83.2 -84.9 3.9 -5.5 -26.2 26.8 872 59 D G T < 5S+ 0 0 53 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.241 91.4 107.7 120.1 -16.2 -3.1 -24.7 29.4 873 60 D G < - 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