==== 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 06-DEC-09 3KYI . COMPND 2 MOLECULE: PUTATIVE HISTIDINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR C.H.BELL,S.L.PORTER,J.P.ARMITAGE,D.I.STUART . 232 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.2 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 1 1 0 1 1 0 0 0 1 0 1 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 1 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 1 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 8 A M > 0 0 155 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -23.8 -12.8 -16.7 -43.7 2 9 A D H > + 0 0 111 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.855 360.0 46.6 -66.6 -38.0 -16.4 -16.5 -42.2 3 10 A E H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.813 106.8 58.5 -73.2 -34.5 -15.7 -19.6 -40.0 4 11 A I H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.891 109.8 42.6 -62.3 -42.7 -12.2 -18.4 -38.9 5 12 A W H X S+ 0 0 23 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.803 112.3 54.2 -73.5 -32.9 -13.8 -15.2 -37.3 6 13 A A H X S+ 0 0 57 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.861 110.4 47.0 -67.7 -37.8 -16.7 -17.2 -35.8 7 14 A L H X S+ 0 0 31 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.823 109.0 54.8 -71.8 -34.7 -14.0 -19.5 -34.2 8 15 A Y H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.870 110.1 46.2 -65.3 -40.1 -12.1 -16.4 -33.0 9 16 A A H X S+ 0 0 34 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.849 117.5 44.5 -69.6 -37.8 -15.3 -15.1 -31.3 10 17 A D H X S+ 0 0 80 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.975 118.6 39.3 -70.8 -59.9 -15.9 -18.6 -29.8 11 18 A D H X S+ 0 0 15 -4,-3.1 4,-2.0 1,-0.2 -3,-0.2 0.842 115.2 55.3 -59.7 -38.2 -12.4 -19.4 -28.6 12 19 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.893 111.0 43.6 -60.9 -44.2 -11.9 -15.8 -27.5 13 20 A A H X S+ 0 0 30 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.911 112.7 52.1 -68.0 -44.7 -15.1 -16.1 -25.3 14 21 A Q H X S+ 0 0 114 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.811 114.9 43.1 -60.8 -35.5 -14.1 -19.5 -23.9 15 22 A A H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.881 116.5 45.9 -78.1 -43.3 -10.6 -18.1 -22.9 16 23 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.845 111.6 51.6 -69.1 -37.5 -12.0 -14.8 -21.5 17 24 A D H X S+ 0 0 91 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.899 113.8 44.8 -65.0 -40.1 -14.7 -16.6 -19.5 18 25 A A H X S+ 0 0 46 -4,-1.1 4,-1.7 -5,-0.2 -2,-0.2 0.822 113.0 51.6 -69.6 -35.8 -12.0 -19.0 -18.1 19 26 A M H X S+ 0 0 4 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.905 113.8 43.7 -66.5 -44.7 -9.8 -15.9 -17.4 20 27 A E H X S+ 0 0 55 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.908 111.6 53.9 -66.7 -45.7 -12.7 -14.1 -15.6 21 28 A A H X S+ 0 0 58 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.850 109.3 47.6 -57.6 -42.7 -13.7 -17.3 -13.6 22 29 A S H X S+ 0 0 11 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.885 114.5 45.9 -67.9 -41.9 -10.1 -17.8 -12.2 23 30 A L H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.867 112.7 50.3 -68.3 -40.1 -9.7 -14.1 -11.2 24 31 A L H X S+ 0 0 77 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.807 110.1 51.1 -67.1 -33.3 -13.2 -14.2 -9.6 25 32 A A H X S+ 0 0 15 -4,-1.5 4,-1.1 2,-0.2 5,-0.4 0.864 110.6 48.1 -70.7 -39.0 -12.3 -17.4 -7.7 26 33 A L H < S+ 0 0 26 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.866 112.4 49.8 -65.7 -40.1 -9.0 -15.7 -6.4 27 34 A Q H < S+ 0 0 117 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.784 107.2 55.2 -67.8 -32.8 -11.2 -12.6 -5.4 28 35 A A H < S- 0 0 85 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.783 133.8 -83.6 -71.3 -31.2 -13.6 -15.0 -3.6 29 36 A G S < S+ 0 0 68 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.668 77.9 138.8 124.0 56.6 -10.7 -16.5 -1.5 30 37 A E - 0 0 107 -4,-0.4 -1,-0.2 -5,-0.4 2,-0.1 -0.925 54.3 -95.2-125.3 149.2 -8.8 -19.2 -3.3 31 38 A D > - 0 0 122 -2,-0.3 3,-0.6 1,-0.1 4,-0.5 -0.341 23.5-130.7 -66.8 142.8 -5.0 -19.9 -3.5 32 39 A A T >> S+ 0 0 31 1,-0.2 4,-3.2 2,-0.2 3,-1.7 0.851 100.2 70.7 -57.0 -43.7 -2.9 -18.6 -6.5 33 40 A A H 3> S+ 0 0 84 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.824 102.0 43.5 -43.0 -48.4 -1.3 -22.0 -7.2 34 41 A A H <4 S+ 0 0 68 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.616 125.1 34.2 -76.3 -17.3 -4.6 -23.5 -8.5 35 42 A H H <> S+ 0 0 20 -3,-1.7 4,-1.6 -4,-0.5 -2,-0.2 0.650 96.5 76.6-114.9 -20.5 -5.4 -20.3 -10.6 36 43 A V H X S+ 0 0 14 -4,-3.2 4,-1.3 2,-0.2 -3,-0.1 0.910 102.0 43.3 -57.4 -49.3 -2.1 -18.9 -11.9 37 44 A G H >X S+ 0 0 24 -4,-0.6 4,-2.1 -5,-0.2 3,-0.7 0.972 108.3 55.4 -63.0 -59.9 -1.8 -21.6 -14.6 38 45 A P H 3> S+ 0 0 39 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.828 112.6 43.4 -45.0 -43.5 -5.4 -21.6 -15.8 39 46 A L H 3X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.789 108.8 56.0 -75.8 -28.7 -5.4 -17.8 -16.6 40 47 A F H S+ 0 0 0 -4,-1.6 5,-3.2 1,-0.2 4,-0.4 0.851 108.5 53.7 -66.3 -37.8 -5.3 -12.3 -32.2 51 58 A R H <5S+ 0 0 67 -4,-1.8 3,-0.4 3,-0.2 171,-0.2 0.829 106.5 54.6 -64.3 -36.2 -1.6 -12.7 -33.5 52 59 A V H <5S+ 0 0 1 -4,-1.2 170,-3.0 1,-0.2 -2,-0.2 0.904 110.9 41.9 -65.7 -46.9 -2.9 -15.1 -36.3 53 60 A L T <5S- 0 0 30 -4,-1.5 -1,-0.2 168,-0.2 -2,-0.2 0.427 117.9-112.0 -82.5 0.5 -5.6 -12.6 -37.6 54 61 A G T 5 + 0 0 30 -3,-0.4 2,-1.6 -4,-0.4 -3,-0.2 0.787 59.7 158.7 72.2 33.3 -3.0 -9.7 -37.3 55 62 A L >< + 0 0 2 -5,-3.2 4,-2.8 1,-0.2 5,-0.2 -0.569 11.0 173.8 -88.2 69.3 -4.9 -8.0 -34.5 56 63 A S H > S+ 0 0 79 -2,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.775 73.9 46.9 -45.4 -45.5 -1.8 -6.0 -33.3 57 64 A V H > S+ 0 0 29 2,-0.2 4,-1.9 51,-0.2 -1,-0.2 0.934 115.2 45.3 -68.3 -48.3 -3.6 -3.9 -30.8 58 65 A V H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.868 114.7 50.1 -62.7 -38.8 -5.6 -6.8 -29.3 59 66 A E H X S+ 0 0 47 -4,-2.8 4,-2.1 -9,-0.2 -1,-0.2 0.871 109.9 50.3 -67.2 -40.8 -2.3 -8.9 -29.3 60 67 A S H X S+ 0 0 36 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.862 111.0 47.4 -66.8 -41.2 -0.4 -6.0 -27.5 61 68 A R H X S+ 0 0 26 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.848 115.2 46.4 -69.1 -35.9 -3.0 -5.6 -24.7 62 69 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.859 107.1 59.5 -72.8 -36.7 -3.1 -9.4 -24.2 63 70 A H H X S+ 0 0 73 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.858 102.6 50.5 -59.8 -43.0 0.8 -9.6 -24.2 64 71 A L H X S+ 0 0 18 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.822 108.7 52.7 -66.4 -32.5 1.2 -7.2 -21.2 65 72 A C H X S+ 0 0 0 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.925 108.4 51.1 -65.0 -44.6 -1.3 -9.4 -19.2 66 73 A E H X S+ 0 0 13 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.816 108.8 51.6 -60.5 -37.4 0.8 -12.4 -20.1 67 74 A D H X S+ 0 0 60 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.913 110.9 46.3 -67.1 -46.1 4.0 -10.6 -18.8 68 75 A L H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.872 116.7 44.3 -63.8 -42.1 2.3 -9.7 -15.4 69 76 A I H >X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 3,-0.5 0.877 110.7 56.4 -68.9 -39.7 1.0 -13.3 -15.0 70 77 A G H 3X>S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 5,-1.1 0.795 101.7 56.1 -60.8 -33.7 4.5 -14.5 -16.1 71 78 A L H 3<5S+ 0 0 26 -4,-1.5 6,-1.4 3,-0.2 5,-0.4 0.790 110.9 44.9 -68.4 -32.1 6.1 -12.5 -13.2 72 79 A V H <<5S+ 0 0 16 -4,-0.8 -2,-0.2 -3,-0.5 4,-0.2 0.925 122.5 35.8 -75.9 -49.1 3.8 -14.4 -10.7 73 80 A R H <5S+ 0 0 111 -4,-2.5 -2,-0.2 3,-0.1 -3,-0.2 0.970 134.1 17.9 -69.4 -62.3 4.4 -17.9 -12.3 74 81 A D T <5S+ 0 0 114 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.944 130.8 39.6 -81.3 -54.8 8.1 -17.7 -13.4 75 82 A A S > - 0 0 60 -2,-1.6 4,-1.5 1,-0.1 3,-0.9 -0.207 45.5 -90.0 -72.5 167.1 -1.9 -9.3 -4.7 81 88 A G H 3> S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.760 126.4 58.3 -47.3 -35.5 -5.4 -7.8 -5.0 82 89 A E H 3> S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 103.4 50.9 -64.4 -44.9 -4.0 -5.1 -7.4 83 90 A I H <> S+ 0 0 1 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.935 114.1 44.7 -57.7 -49.8 -2.7 -7.8 -9.9 84 91 A V H X S+ 0 0 9 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.894 112.7 52.8 -60.0 -45.9 -6.3 -9.4 -9.8 85 92 A E H X S+ 0 0 131 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.868 111.0 44.5 -58.0 -48.1 -8.0 -5.9 -10.1 86 93 A I H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 115.3 48.6 -65.3 -45.3 -5.9 -4.9 -13.2 87 94 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.758 109.9 51.9 -67.7 -28.0 -6.5 -8.3 -14.9 88 95 A L H X S+ 0 0 19 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.848 111.7 46.4 -74.8 -35.8 -10.2 -8.2 -14.1 89 96 A F H X S+ 0 0 95 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.842 112.5 51.7 -70.8 -34.7 -10.4 -4.7 -15.8 90 97 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.880 105.2 55.9 -66.2 -41.8 -8.3 -6.2 -18.6 91 98 A S H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.886 111.8 42.1 -56.6 -46.7 -10.8 -9.1 -18.9 92 99 A D H X S+ 0 0 90 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.799 115.6 49.7 -71.9 -34.0 -13.7 -6.6 -19.5 93 100 A T H X S+ 0 0 22 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.926 113.3 45.4 -70.6 -46.9 -11.6 -4.4 -21.8 94 101 A L H X S+ 0 0 3 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.752 109.0 58.1 -66.8 -27.1 -10.6 -7.5 -23.9 95 102 A R H X S+ 0 0 43 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.892 109.8 42.9 -67.7 -41.8 -14.3 -8.6 -23.8 96 103 A A H X S+ 0 0 55 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.822 115.8 50.5 -70.8 -33.7 -15.2 -5.2 -25.5 97 104 A M H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.885 110.8 47.8 -70.6 -42.2 -12.2 -5.6 -27.8 98 105 A L H X S+ 0 0 8 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.900 112.5 48.6 -65.0 -45.6 -13.2 -9.2 -28.8 99 106 A E H X S+ 0 0 134 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.836 115.2 45.3 -64.5 -36.4 -16.9 -8.2 -29.5 100 107 A E H X S+ 0 0 118 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.928 113.9 46.9 -72.6 -49.9 -15.7 -5.2 -31.6 101 108 A T H X>S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.5 0.805 111.3 52.7 -63.1 -34.1 -13.1 -7.1 -33.7 102 109 A A H <5S+ 0 0 28 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.884 114.2 41.3 -69.3 -41.4 -15.5 -10.0 -34.3 103 110 A A H <5S+ 0 0 92 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.821 124.3 37.0 -74.8 -36.0 -18.3 -7.7 -35.7 104 111 A S H <5S- 0 0 66 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.726 92.3-141.2 -87.7 -27.8 -15.8 -5.5 -37.7 105 112 A R T <5S+ 0 0 113 -4,-2.1 2,-0.3 1,-0.3 -3,-0.1 0.788 73.8 81.9 62.9 35.3 -13.4 -8.2 -38.9 106 113 A A S + 0 0 7 1,-0.0 3,-0.6 -13,-0.0 4,-0.1 0.574 60.0 122.7 77.4 14.9 -6.9 1.2 -28.9 111 118 A T G > S+ 0 0 101 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.878 76.4 49.7 -70.7 -38.5 -7.4 4.8 -27.7 112 119 A G G 3 S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.340 109.6 52.2 -81.7 2.6 -9.9 3.7 -25.0 113 120 A S G <> S+ 0 0 7 -3,-0.6 4,-1.6 2,-0.1 3,-0.3 0.261 78.1 98.0-119.2 6.0 -7.6 1.0 -23.7 114 121 A E H <> S+ 0 0 126 -3,-0.9 4,-1.4 1,-0.2 -2,-0.1 0.760 79.6 57.2 -64.7 -31.0 -4.5 3.3 -23.3 115 122 A A H > S+ 0 0 63 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.846 107.2 48.2 -69.7 -36.5 -5.3 3.6 -19.5 116 123 A L H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.861 107.4 55.2 -70.8 -41.3 -5.1 -0.2 -19.1 117 124 A M H X S+ 0 0 20 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.873 113.7 41.2 -60.6 -39.2 -1.7 -0.4 -21.0 118 125 A D H X S+ 0 0 109 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.813 112.2 55.9 -76.3 -33.5 -0.2 2.1 -18.6 119 126 A Q H X S+ 0 0 79 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.882 113.0 41.6 -63.3 -42.4 -2.0 0.4 -15.6 120 127 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.913 115.0 50.4 -69.5 -47.8 -0.3 -2.9 -16.5 121 128 A R H X S+ 0 0 130 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.820 106.6 56.8 -60.4 -37.0 3.1 -1.2 -17.3 122 129 A S H X S+ 0 0 51 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.927 111.8 40.4 -60.7 -49.8 2.9 0.6 -13.9 123 130 A K H X S+ 0 0 26 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.887 110.5 56.8 -69.0 -43.0 2.6 -2.7 -11.9 124 131 A I H X S+ 0 0 33 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.890 112.3 43.3 -55.8 -42.1 5.2 -4.7 -14.1 125 132 A A H < S+ 0 0 71 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.893 112.6 52.9 -69.0 -42.2 7.8 -2.0 -13.3 126 133 A R H < S+ 0 0 131 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.777 111.7 45.8 -63.9 -32.4 6.8 -1.9 -9.5 127 134 A C H < 0 0 37 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.799 360.0 360.0 -79.7 -33.3 7.2 -5.7 -9.3 128 135 A S < 0 0 114 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.871 360.0 360.0 -97.0 360.0 10.6 -5.5 -11.1 129 !* 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 0.0 130 1 B S 0 0 115 0, 0.0 27,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 131.4 2.3 -36.5 -53.0 131 2 B P - 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0 0 20 -3,-0.8 3,-0.1 -4,-0.5 -3,-0.0 -0.675 57.8-164.5 -83.6 128.5 -1.1 -26.4 -51.1 155 26 B P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.645 90.0 49.4 -86.6 -14.2 -1.1 -29.0 -53.9 156 27 B D S S+ 0 0 35 -25,-0.1 -24,-2.9 -26,-0.1 2,-0.3 0.531 110.5 55.4 -98.1 -9.9 1.7 -31.1 -52.4 157 28 B F E -a 132 0A 5 -6,-0.3 2,-0.3 -26,-0.3 -24,-0.2 -0.948 59.9-175.2-127.3 146.7 0.1 -31.3 -48.9 158 29 B K E -a 133 0A 120 -26,-2.8 -24,-3.1 -2,-0.3 2,-0.4 -0.998 25.1-125.4-142.6 134.2 -3.3 -32.4 -47.6 159 30 B V E +a 134 0A 41 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.696 32.2 164.9 -82.6 125.0 -4.9 -32.4 -44.1 160 31 B V E + 0 0 40 -26,-2.9 2,-0.3 -2,-0.4 -25,-0.2 0.621 63.8 22.8-110.4 -24.4 -6.2 -35.8 -43.0 161 32 B A E -a 135 0A 6 -27,-1.2 -25,-2.2 2,-0.0 2,-0.4 -0.997 51.9-164.6-151.4 144.3 -6.7 -35.2 -39.2 162 33 B Q E -a 136 0A 67 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.997 17.4-175.7-127.5 126.7 -7.3 -32.3 -36.7 163 34 B A E -a 137 0A 0 -27,-2.5 -25,-1.9 -2,-0.4 6,-0.1 -0.992 23.8-169.0-133.4 137.0 -6.8 -32.8 -32.9 164 35 B A S S+ 0 0 23 -2,-0.4 2,-0.2 -27,-0.2 -1,-0.1 0.832 76.7 22.8 -85.7 -40.4 -7.3 -30.7 -29.8 165 36 B N S > S- 0 0 71 1,-0.1 4,-1.9 23,-0.1 5,-0.1 -0.677 83.3-100.7-124.5 176.0 -5.5 -32.8 -27.2 166 37 B G H > S+ 0 0 22 -2,-0.2 4,-1.1 2,-0.2 5,-0.1 0.911 122.3 46.0 -61.4 -47.7 -2.9 -35.6 -26.9 167 38 B Q H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.871 111.8 51.7 -64.5 -40.9 -5.4 -38.4 -26.5 168 39 B E H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 107.4 54.1 -63.1 -39.1 -7.5 -37.0 -29.5 169 40 B A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.772 107.6 50.7 -65.5 -29.7 -4.2 -36.9 -31.6 170 41 B L H X S+ 0 0 23 -4,-1.1 4,-1.9 -3,-0.3 -2,-0.2 0.910 109.5 49.7 -72.9 -45.7 -3.7 -40.7 -30.7 171 42 B D H X S+ 0 0 88 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.874 113.8 45.1 -59.5 -44.5 -7.3 -41.6 -31.8 172 43 B K H X S+ 0 0 70 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.858 113.4 50.5 -68.3 -39.0 -6.9 -39.7 -35.2 173 44 B L H < S+ 0 0 9 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.796 107.9 53.4 -68.9 -32.9 -3.4 -41.3 -35.7 174 45 B A H < S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.793 110.0 48.7 -71.5 -30.8 -4.9 -44.8 -35.0 175 46 B A H < S+ 0 0 62 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 118.0 39.3 -75.4 -42.0 -7.5 -44.1 -37.7 176 47 B Q >< + 0 0 66 -4,-1.9 3,-0.6 1,-0.1 -1,-0.2 -0.915 54.7 169.7-115.7 105.5 -5.0 -42.9 -40.4 177 48 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.701 71.5 76.7 -84.7 -16.6 -1.7 -44.7 -40.7 178 49 B N T 3 + 0 0 88 21,-0.1 -45,-0.5 -46,-0.0 2,-0.2 0.302 63.0 136.0 -74.6 6.6 -0.8 -42.9 -44.0 179 50 B V E < -b 133 0A 6 -3,-0.6 -45,-0.2 -6,-0.2 22,-0.2 -0.411 30.1-178.6 -62.7 122.9 0.1 -39.7 -42.0 180 51 B D E + 0 0 53 -47,-3.0 22,-1.9 1,-0.3 2,-0.3 0.793 65.2 22.7 -92.5 -39.7 3.4 -38.2 -43.5 181 52 B L E -bc 134 202A 0 -48,-1.8 -46,-1.9 20,-0.2 2,-0.5 -0.994 59.8-156.2-136.6 141.9 3.8 -35.1 -41.2 182 53 B I E -bc 135 203A 0 20,-2.3 22,-2.7 -2,-0.3 2,-0.9 -0.978 7.3-155.6-119.4 118.4 2.6 -34.1 -37.7 183 54 B L E -bc 136 204A 0 -48,-3.1 -46,-2.6 -2,-0.5 2,-0.3 -0.826 24.5-172.0 -96.3 96.1 2.4 -30.4 -36.8 184 55 B L E -bc 137 205A 13 20,-2.3 22,-1.4 -2,-0.9 2,-0.2 -0.762 16.9-139.7 -98.8 138.7 2.6 -30.4 -33.0 185 56 B N E - 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0 0 24 -4,-2.9 -1,-0.3 2,-0.1 -21,-0.1 -0.950 52.5-141.0-136.1 156.3 4.1 -43.9 -37.0 200 76 B R + 0 0 241 -2,-0.3 -4,-0.1 -21,-0.1 -20,-0.1 0.251 60.7 137.2 -93.2 8.0 7.4 -43.1 -38.9 201 77 B A - 0 0 7 -22,-0.2 2,-0.4 -6,-0.2 -20,-0.2 -0.217 62.4-106.4 -60.6 142.9 5.9 -39.6 -39.7 202 78 B K E -c 181 0A 77 -22,-1.9 -20,-2.3 11,-0.1 2,-0.4 -0.586 32.7-145.0 -74.6 123.9 8.1 -36.4 -39.4 203 79 B I E -c 182 0A 2 -2,-0.4 11,-1.8 -22,-0.2 12,-1.1 -0.788 16.4-171.9 -94.2 134.4 7.2 -34.3 -36.3 204 80 B C E -cd 183 215A 0 -22,-2.7 -20,-2.3 -2,-0.4 12,-0.2 -0.996 15.4-132.6-130.0 132.8 7.4 -30.5 -36.5 205 81 B M E -cd 184 216A 25 10,-2.3 12,-2.8 -2,-0.4 2,-0.4 -0.518 10.4-154.1 -86.1 150.8 7.0 -28.0 -33.7 206 82 B L E +cd 185 217A 0 -22,-1.4 -20,-1.1 -2,-0.2 2,-0.4 -0.996 13.9 178.5-126.6 125.7 4.9 -24.8 -33.7 207 83 B A E d 0 218A 36 10,-1.1 12,-2.8 -2,-0.4 -22,-0.0 -0.996 360.0 360.0-132.0 134.7 5.7 -21.7 -31.4 208 84 B S 0 0 29 -2,-0.4 10,-0.0 10,-0.2 -160,-0.0 -0.482 360.0 360.0 -69.2 360.0 3.9 -18.4 -31.2 209 ! 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 0.0 210 98 B E 0 0 226 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 -53.3 13.6 -27.9 -29.0 211 99 B L + 0 0 164 1,-0.1 2,-0.4 0, 0.0 3,-0.1 -0.562 360.0 31.3 -84.6 144.8 14.4 -31.6 -28.5 212 100 B G S S+ 0 0 45 1,-0.3 -1,-0.1 -2,-0.2 -9,-0.1 -0.580 95.5 79.8 114.9 -67.0 12.3 -34.5 -29.9 213 101 B A S S- 0 0 19 -2,-0.4 -1,-0.3 1,-0.1 -9,-0.2 -0.309 75.8-126.0 -75.0 159.3 10.9 -33.3 -33.2 214 102 B D S S+ 0 0 71 -11,-1.8 2,-0.2 1,-0.1 -10,-0.2 0.900 85.2 8.2 -70.8 -47.5 12.8 -33.1 -36.5 215 103 B G E -d 204 0A 20 -12,-1.1 -10,-2.3 2,-0.0 2,-0.4 -0.830 61.8-137.7-134.2 170.6 12.1 -29.3 -37.3 216 104 B V E +d 205 0A 104 -2,-0.2 2,-0.4 -12,-0.2 -10,-0.2 -0.990 17.1 179.9-137.7 124.4 10.7 -26.1 -35.8 217 105 B V E -d 206 0A 2 -12,-2.8 -10,-1.1 -2,-0.4 2,-0.2 -0.967 28.6-120.3-123.1 142.2 8.4 -23.5 -37.4 218 106 B A E -d 207 0A 56 -2,-0.4 -10,-0.2 -12,-0.2 8,-0.1 -0.510 42.2 -97.5 -76.3 145.2 7.0 -20.2 -35.9 219 107 B K - 0 0 24 -12,-2.8 -1,-0.1 -2,-0.2 -13,-0.0 -0.420 48.7-104.4 -64.5 134.3 3.1 -20.0 -35.9 220 108 B P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.207 29.7-157.5 -65.1 156.2 1.8 -18.0 -38.9 221 109 B S 0 0 87 -168,-0.1 -169,-0.2 -167,-0.1 -168,-0.2 -0.998 360.0 360.0-136.5 127.7 0.5 -14.4 -38.7 222 110 B G 0 0 69 -170,-3.0 0, 0.0 -2,-0.4 0, 0.0 -0.640 360.0 360.0 -78.1 360.0 -1.9 -12.7 -41.2 223 ! 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 0.0 224 122 B G > 0 0 65 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.0 4.4 -18.8 -46.5 225 123 B E H > + 0 0 88 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.840 360.0 56.7 -67.7 -37.6 7.4 -19.4 -44.2 226 124 B L H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.872 98.2 61.2 -61.1 -43.5 5.8 -22.8 -43.1 227 125 B A H > S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.801 102.2 52.4 -54.9 -37.5 5.5 -24.1 -46.7 228 126 B R H X S+ 0 0 160 -4,-0.7 4,-1.9 -3,-0.4 -1,-0.2 0.953 113.7 40.3 -65.4 -54.7 9.4 -23.9 -47.1 229 127 B T H X S+ 0 0 26 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.736 112.4 56.4 -69.0 -25.9 10.2 -26.0 -43.9 230 128 B M H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.885 111.3 44.4 -69.8 -40.6 7.3 -28.4 -44.6 231 129 B R H X S+ 0 0 104 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.849 110.4 53.3 -71.2 -40.8 8.8 -29.2 -48.0 232 130 B T H X S+ 0 0 93 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.828 107.9 51.5 -65.3 -36.0 12.5 -29.5 -46.8 233 131 B L H < S+ 0 0 26 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.0 47.2 -69.2 -38.6 11.4 -32.1 -44.1 234 132 B M H < S+ 0 0 33 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.765 108.3 56.1 -73.8 -28.6 9.6 -34.3 -46.7 235 133 B A H < 0 0 87 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.821 360.0 360.0 -71.6 -35.4 12.6 -34.1 -49.2 236 134 B A < 0 0 109 -4,-1.2 -3,-0.1 -5,-0.1 -2,-0.0 0.570 360.0 360.0 -88.1 360.0 15.1 -35.5 -46.6