==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING 18-MAY-10 2XEV . COMPND 2 MOLECULE: YBGF; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS; . AUTHOR A.M.KRACHLER,A.SHARMA,C.KLEANTHOUS . 367 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 79.0 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 . 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 . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 2 1 0 1 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 2 A R 0 0 101 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.3 53.3 -9.2 63.6 2 3 A T >> - 0 0 42 150,-0.0 4,-1.6 149,-0.0 3,-0.8 -0.618 360.0 -69.4-134.9-171.1 50.5 -7.7 61.5 3 4 A A H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.813 126.5 57.9 -59.2 -36.8 49.1 -4.3 60.1 4 5 A Y H 3> S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.911 106.7 48.7 -56.3 -43.9 48.1 -3.2 63.6 5 6 A N H <> S+ 0 0 59 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.857 107.9 53.5 -68.4 -34.2 51.7 -3.6 64.8 6 7 A V H X S+ 0 0 13 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.915 113.3 43.8 -66.7 -42.3 53.1 -1.7 61.9 7 8 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.922 112.9 51.1 -65.7 -46.2 50.8 1.3 62.6 8 9 A F H X S+ 0 0 62 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.886 106.7 55.1 -62.3 -38.5 51.4 1.1 66.3 9 10 A D H X S+ 0 0 41 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.907 104.5 52.4 -65.6 -39.3 55.2 1.2 65.8 10 11 A A H <>S+ 0 0 14 -4,-1.5 5,-2.5 1,-0.2 -1,-0.2 0.935 112.1 47.0 -58.7 -43.2 55.0 4.4 63.8 11 12 A L H ><5S+ 0 0 26 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.933 108.3 54.7 -63.6 -45.9 53.0 5.9 66.6 12 13 A K H 3<5S+ 0 0 126 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 108.2 50.8 -52.8 -36.9 55.5 4.7 69.2 13 14 A N T 3<5S- 0 0 109 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.317 118.0-112.6 -89.4 6.0 58.3 6.4 67.3 14 15 A G T < 5S+ 0 0 29 -3,-2.1 2,-1.4 1,-0.2 -3,-0.2 0.668 72.3 138.8 73.8 17.8 56.4 9.7 67.2 15 16 A K >< + 0 0 113 -5,-2.5 4,-2.8 -6,-0.2 -1,-0.2 -0.644 22.2 168.6 -93.1 76.5 55.9 9.5 63.4 16 17 A Y H > + 0 0 94 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.827 68.7 52.8 -67.8 -36.9 52.3 10.8 63.7 17 18 A D H > S+ 0 0 105 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.951 114.5 43.0 -61.6 -48.2 51.7 11.5 60.0 18 19 A D H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.912 113.6 53.1 -61.7 -43.9 52.8 7.9 59.1 19 20 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.905 107.3 50.6 -62.7 -39.7 50.8 6.6 62.0 20 21 A S H X S+ 0 0 10 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.927 111.5 47.9 -64.1 -42.8 47.6 8.3 60.9 21 22 A Q H X S+ 0 0 55 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.925 115.0 46.3 -60.8 -43.4 48.0 6.9 57.4 22 23 A L H X S+ 0 0 16 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.877 114.6 44.3 -71.2 -40.6 48.6 3.4 58.7 23 24 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.879 113.1 52.8 -71.1 -36.9 45.7 3.4 61.2 24 25 A L H X S+ 0 0 65 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.951 111.8 46.5 -58.2 -48.2 43.4 4.9 58.6 25 26 A S H X S+ 0 0 23 -4,-2.5 4,-1.5 1,-0.2 3,-0.4 0.895 109.2 54.4 -58.9 -42.0 44.4 2.1 56.3 26 27 A F H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 3,-0.2 0.912 106.8 51.9 -57.1 -43.5 43.9 -0.5 59.1 27 28 A L H < S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.736 102.1 59.0 -71.2 -23.8 40.4 0.8 59.6 28 29 A E H < S+ 0 0 158 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.893 114.4 37.8 -65.8 -40.6 39.6 0.5 55.9 29 30 A L H < S+ 0 0 25 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.840 125.1 38.6 -77.9 -36.0 40.4 -3.2 56.2 30 31 A Y < + 0 0 61 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 -0.731 56.0 157.5-120.8 78.3 38.9 -3.8 59.7 31 32 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.778 91.8 12.0 -68.5 -23.8 35.7 -1.8 60.1 32 33 A N S S+ 0 0 123 -3,-0.2 2,-0.1 4,-0.0 -5,-0.0 -0.254 95.5 130.7-151.3 53.9 34.7 -4.2 62.9 33 34 A G S > S- 0 0 22 -3,-0.5 3,-1.1 -6,-0.0 -3,-0.1 -0.420 72.5 -90.8-100.3 178.5 37.7 -6.4 63.9 34 35 A V T 3 S+ 0 0 121 1,-0.3 4,-0.3 -2,-0.1 -1,-0.0 0.879 126.6 38.9 -58.5 -40.0 39.2 -7.2 67.3 35 36 A Y T 3> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.320 84.8 102.8 -99.7 9.6 41.6 -4.3 67.2 36 37 A T H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.920 81.7 49.1 -54.9 -49.0 39.2 -1.8 65.6 37 38 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.925 112.8 48.8 -59.6 -43.8 38.5 0.1 68.9 38 39 A N H > S+ 0 0 21 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.912 111.6 49.4 -57.4 -46.8 42.2 0.3 69.6 39 40 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.881 109.3 50.8 -63.9 -40.6 42.9 1.6 66.1 40 41 A L H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.937 113.2 47.9 -59.6 -45.4 40.1 4.3 66.4 41 42 A Y H X S+ 0 0 30 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.945 115.2 42.5 -61.5 -49.7 41.7 5.4 69.7 42 43 A W H X S+ 0 0 54 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.820 112.6 52.9 -70.8 -29.3 45.3 5.5 68.4 43 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.951 110.2 50.0 -67.6 -44.7 44.2 7.2 65.1 44 45 A G H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.914 111.4 48.3 -52.1 -48.7 42.4 9.8 67.3 45 46 A E H X S+ 0 0 35 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.882 108.0 54.1 -64.6 -39.1 45.6 10.2 69.4 46 47 A S H X S+ 0 0 1 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.954 113.5 42.8 -58.2 -49.2 47.8 10.6 66.3 47 48 A Y H ><>S+ 0 0 18 -4,-2.5 5,-2.6 1,-0.2 3,-1.0 0.919 112.5 52.6 -63.6 -44.3 45.5 13.4 65.1 48 49 A Y H ><5S+ 0 0 67 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 0.898 103.2 59.6 -58.1 -40.5 45.3 15.0 68.5 49 50 A A H 3<5S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.743 110.0 42.0 -56.8 -29.5 49.2 15.0 68.7 50 51 A T T <<5S- 0 0 64 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.167 118.1-109.8-107.6 16.3 49.3 17.2 65.6 51 52 A R T < 5S+ 0 0 183 -3,-1.8 2,-1.4 1,-0.2 -3,-0.2 0.758 70.2 144.6 59.5 28.0 46.4 19.4 66.7 52 53 A N >< + 0 0 65 -5,-2.6 4,-2.6 1,-0.2 -1,-0.2 -0.623 17.7 165.9 -88.7 75.1 44.1 18.0 64.0 53 54 A F H > + 0 0 17 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.796 66.9 52.6 -70.2 -32.1 41.1 18.3 66.3 54 55 A Q H > S+ 0 0 123 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.910 113.1 45.2 -67.9 -41.0 38.4 17.8 63.7 55 56 A L H > S+ 0 0 77 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.924 114.8 48.8 -68.4 -41.8 40.0 14.6 62.5 56 57 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.5 0.923 105.1 58.8 -62.1 -45.7 40.5 13.5 66.1 57 58 A E H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.894 102.4 53.2 -50.3 -46.8 36.9 14.2 67.0 58 59 A A H X S+ 0 0 52 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.876 111.8 44.8 -60.0 -38.0 35.6 11.9 64.4 59 60 A Q H X S+ 0 0 29 -4,-1.2 4,-2.4 -3,-0.5 -2,-0.2 0.937 115.1 44.9 -73.8 -47.6 37.6 8.9 65.6 60 61 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.882 112.9 51.8 -66.4 -37.4 37.0 9.4 69.3 61 62 A R H X S+ 0 0 106 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.936 111.2 47.4 -62.2 -46.0 33.3 9.9 68.8 62 63 A D H X S+ 0 0 53 -4,-1.7 4,-2.7 -5,-0.3 5,-0.4 0.919 110.5 52.7 -60.9 -46.6 33.0 6.7 66.7 63 64 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.927 113.5 41.8 -54.3 -51.1 35.0 4.7 69.3 64 65 A V H < S+ 0 0 13 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.901 115.4 51.0 -69.6 -39.5 32.7 5.8 72.2 65 66 A S H < S+ 0 0 87 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.951 122.2 29.2 -59.0 -52.4 29.5 5.4 70.1 66 67 A R H < S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.763 131.6 32.1 -87.8 -27.7 30.3 1.9 68.9 67 68 A Y >< + 0 0 35 -4,-2.5 3,-2.0 -5,-0.4 -1,-0.2 -0.365 64.7 154.2-127.4 54.9 32.4 0.5 71.7 68 69 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.727 78.1 45.1 -61.9 -22.3 31.1 2.1 74.9 69 70 A T T 3 S+ 0 0 141 -3,-0.1 2,-0.1 4,-0.1 -5,-0.1 0.361 87.0 116.9-100.5 5.2 32.3 -0.7 77.2 70 71 A H S X S- 0 0 55 -3,-2.0 3,-2.0 -7,-0.2 4,-0.5 -0.392 79.0-113.0 -72.4 152.8 35.7 -1.1 75.6 71 72 A D T 3 S+ 0 0 135 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.813 118.1 49.1 -49.3 -36.2 38.8 -0.5 77.7 72 73 A K T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.515 86.9 89.0 -85.6 -5.9 39.6 2.5 75.6 73 74 A A H <> S+ 0 0 0 -3,-2.0 4,-2.4 2,-0.2 5,-0.2 0.908 84.9 49.1 -67.3 -43.8 36.1 4.1 75.7 74 75 A A H > S+ 0 0 12 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.951 116.2 43.3 -58.9 -51.5 36.6 6.3 78.9 75 76 A G H > S+ 0 0 16 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.859 111.9 56.8 -60.3 -36.6 39.9 7.7 77.6 76 77 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.891 107.0 46.6 -61.2 -41.6 38.2 8.1 74.2 77 78 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 111.3 52.5 -70.1 -39.9 35.4 10.2 75.6 78 79 A L H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.953 112.4 45.1 -52.8 -53.1 37.9 12.3 77.6 79 80 A K H X S+ 0 0 36 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.804 107.4 58.7 -71.0 -28.4 39.9 12.9 74.3 80 81 A L H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.951 109.3 44.7 -56.7 -50.3 36.7 13.7 72.4 81 82 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.905 112.9 50.1 -62.6 -43.0 36.0 16.5 74.9 82 83 A L H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.883 110.1 51.5 -63.2 -37.8 39.6 17.7 74.7 83 84 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.885 108.4 51.0 -64.5 -39.2 39.4 17.7 70.9 84 85 A Q H <>S+ 0 0 3 -4,-2.1 5,-2.5 2,-0.2 4,-0.3 0.907 108.3 51.7 -66.2 -40.4 36.2 19.7 71.0 85 86 A Y H ><5S+ 0 0 113 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.920 107.4 54.0 -57.8 -42.8 38.0 22.2 73.3 86 87 A G H 3<5S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.818 103.8 55.3 -60.8 -33.1 40.7 22.3 70.6 87 88 A E T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.509 120.7-111.3 -73.7 -9.3 38.1 23.2 68.0 88 89 A G T < 5S+ 0 0 51 -3,-1.7 2,-0.9 -4,-0.3 -3,-0.2 0.714 77.6 134.6 81.5 21.7 37.0 26.1 70.2 89 90 A K >< + 0 0 111 -5,-2.5 4,-2.6 1,-0.2 5,-0.2 -0.665 22.3 166.2-103.0 75.6 33.7 24.5 71.0 90 91 A N H > S+ 0 0 79 -2,-0.9 4,-2.5 2,-0.2 5,-0.2 0.861 70.0 50.6 -64.1 -44.4 33.8 25.2 74.7 91 92 A T H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.969 115.2 42.8 -54.9 -59.2 30.1 24.5 75.5 92 93 A E H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.872 113.3 53.5 -59.0 -40.4 30.2 21.1 73.8 93 94 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.905 108.8 48.2 -59.6 -47.4 33.7 20.3 75.3 94 95 A Q H X S+ 0 0 56 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.916 111.1 51.7 -61.1 -43.4 32.4 20.9 78.9 95 96 A Q H X S+ 0 0 119 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.925 112.1 46.4 -55.9 -47.5 29.3 18.8 78.2 96 97 A T H X S+ 0 0 11 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.895 111.2 49.9 -65.4 -42.6 31.6 15.9 77.0 97 98 A L H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.874 110.2 51.6 -66.2 -36.7 34.0 16.1 79.9 98 99 A Q H X S+ 0 0 88 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.895 103.5 60.0 -59.8 -43.0 31.1 16.1 82.3 99 100 A Q H X S+ 0 0 70 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.776 95.3 62.5 -57.4 -30.3 29.9 13.0 80.5 100 101 A V H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.4 -1,-0.2 0.939 105.6 44.3 -64.2 -46.5 33.1 11.1 81.4 101 102 A A H < S+ 0 0 26 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.859 117.5 46.9 -63.7 -37.6 32.4 11.3 85.1 102 103 A T H < S+ 0 0 112 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.921 123.7 29.3 -69.3 -48.8 28.8 10.3 84.6 103 104 A Q H < S+ 0 0 101 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.734 131.8 33.4 -91.4 -25.2 29.3 7.4 82.2 104 105 A Y S >< S- 0 0 37 -4,-2.5 3,-1.6 -5,-0.4 6,-0.4 -0.401 78.4-179.7-127.8 57.8 32.7 6.2 83.5 105 106 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.312 70.7 14.8 -62.5 138.3 32.7 7.0 87.2 106 107 A G T 3 S+ 0 0 83 1,-0.3 -5,-0.1 2,-0.1 2,-0.1 0.261 93.8 130.1 83.0 -12.1 36.0 6.0 89.0 107 108 A S S <> S- 0 0 33 -3,-1.6 4,-1.6 -7,-0.2 -1,-0.3 -0.367 71.3-118.3 -69.0 153.8 38.0 5.6 85.8 108 109 A D H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.880 117.3 57.2 -53.9 -40.3 41.4 7.3 85.4 109 110 A A H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 102.0 53.2 -61.3 -41.1 39.8 9.2 82.4 110 111 A A H > S+ 0 0 7 -6,-0.4 4,-2.1 -10,-0.2 -1,-0.2 0.892 108.2 51.0 -61.5 -41.2 37.0 10.6 84.7 111 112 A R H X S+ 0 0 159 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.953 112.9 44.8 -59.9 -50.7 39.6 12.0 87.1 112 113 A V H X S+ 0 0 23 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.897 110.2 55.5 -63.6 -40.8 41.5 13.7 84.3 113 114 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.896 107.8 49.1 -59.4 -40.4 38.3 15.0 82.8 114 115 A Q H X S+ 0 0 100 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.884 110.8 50.2 -66.3 -39.9 37.4 16.7 86.1 115 116 A E H X S+ 0 0 110 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.937 115.0 43.0 -60.5 -48.0 40.9 18.2 86.3 116 117 A R H X S+ 0 0 115 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.875 111.6 55.0 -68.6 -37.5 40.6 19.6 82.8 117 118 A L H X S+ 0 0 17 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.914 107.1 49.5 -61.6 -44.5 37.1 20.7 83.3 118 119 A Q H < S+ 0 0 115 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.860 110.8 51.0 -63.2 -35.9 38.1 22.8 86.4 119 120 A S H < S+ 0 0 97 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 112.3 44.6 -66.9 -42.2 40.9 24.4 84.3 120 121 A I H < 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 360.0 360.0 -62.7 -37.3 38.4 25.3 81.6 121 122 A R < 0 0 188 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.745 360.0 360.0 86.6 360.0 36.2 26.4 84.5 122 !* 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 0.0 123 1 B A 0 0 77 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.7 52.9 -21.0 47.1 124 2 B R > - 0 0 78 1,-0.1 4,-2.3 4,-0.0 3,-0.2 -0.408 360.0-120.7 -68.0 150.0 49.7 -20.5 48.8 125 3 B T H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.881 114.5 58.1 -59.4 -37.9 46.6 -19.7 46.7 126 4 B A H > S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.865 107.6 46.7 -61.9 -37.9 46.3 -16.4 48.5 127 5 B Y H > S+ 0 0 17 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.941 111.0 52.0 -67.7 -45.2 49.8 -15.4 47.5 128 6 B N H X S+ 0 0 67 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 108.9 47.5 -62.3 -42.6 49.3 -16.4 43.9 129 7 B V H X S+ 0 0 9 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.861 111.9 52.0 -70.8 -31.2 46.1 -14.4 43.3 130 8 B A H X S+ 0 0 0 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.943 111.5 46.3 -63.9 -48.4 47.7 -11.4 44.8 131 9 B F H X S+ 0 0 60 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.889 106.9 58.2 -62.6 -39.7 50.7 -11.7 42.5 132 10 B D H X S+ 0 0 45 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.901 105.8 50.3 -56.5 -39.5 48.5 -12.2 39.5 133 11 B A H <>S+ 0 0 6 -4,-1.6 5,-2.7 2,-0.2 -1,-0.2 0.920 110.2 49.4 -65.4 -42.9 46.9 -8.8 40.2 134 12 B L H ><5S+ 0 0 20 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.937 109.1 51.7 -61.5 -44.5 50.2 -7.1 40.5 135 13 B K H 3<5S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.6 53.5 -67.6 -25.2 51.4 -8.7 37.2 136 14 B N T 3<5S- 0 0 111 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.275 119.8-110.6 -89.0 9.1 48.3 -7.4 35.4 137 15 B G T < 5S+ 0 0 35 -3,-1.9 2,-1.6 1,-0.2 3,-0.2 0.653 75.0 137.6 72.9 15.9 48.9 -3.9 36.7 138 16 B K >< + 0 0 38 -5,-2.7 4,-2.9 1,-0.2 -1,-0.2 -0.570 20.2 164.5 -91.8 72.1 46.0 -3.9 39.1 139 17 B Y H > + 0 0 99 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.847 69.3 52.4 -64.0 -37.0 48.0 -2.2 41.9 140 18 B D H > S+ 0 0 61 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.955 114.6 41.6 -62.5 -50.2 45.1 -1.2 44.0 141 19 B D H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.924 113.1 55.5 -61.8 -43.6 43.6 -4.7 44.0 142 20 B A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.901 103.6 54.5 -56.6 -43.4 47.1 -6.1 44.5 143 21 B S H X S+ 0 0 5 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.961 111.1 45.1 -53.5 -51.4 47.6 -3.9 47.6 144 22 B Q H X S+ 0 0 47 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.893 114.0 48.9 -62.1 -40.5 44.4 -5.4 49.1 145 23 B L H X S+ 0 0 12 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.901 114.8 43.3 -69.7 -40.7 45.3 -8.9 48.2 146 24 B F H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.892 112.7 53.2 -70.1 -38.8 48.9 -8.7 49.6 147 25 B L H X S+ 0 0 10 -4,-3.0 4,-1.5 -5,-0.3 -2,-0.2 0.944 111.7 45.5 -59.3 -48.2 47.7 -6.8 52.8 148 26 B S H X S+ 0 0 15 -4,-2.4 4,-2.1 -5,-0.2 3,-0.2 0.911 109.7 55.5 -63.3 -40.5 45.1 -9.6 53.4 149 27 B F H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.932 108.2 48.8 -54.3 -44.9 47.8 -12.3 52.7 150 28 B L H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 109.8 51.1 -71.1 -27.7 50.0 -10.7 55.4 151 29 B E H < S+ 0 0 27 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.831 117.3 39.8 -73.4 -35.6 47.2 -10.6 57.9 152 30 B L H < S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.810 129.1 28.5 -84.1 -29.7 46.4 -14.3 57.3 153 31 B Y >< + 0 0 26 -4,-2.6 3,-0.7 -5,-0.2 -1,-0.2 -0.655 67.6 155.1-133.7 70.1 50.0 -15.5 57.0 154 32 B P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.616 77.3 33.6 -77.6 -11.1 52.3 -13.2 59.1 155 33 B N T 3 S+ 0 0 148 4,-0.0 2,-0.2 3,-0.0 -5,-0.0 -0.182 90.8 117.8-139.9 37.2 55.1 -15.7 59.8 156 34 B G S X S- 0 0 17 -3,-0.7 3,-1.1 -6,-0.1 -3,-0.0 -0.500 78.3-101.4-102.3 175.0 55.3 -17.8 56.7 157 35 B V T 3 S+ 0 0 113 1,-0.2 4,-0.4 -2,-0.2 -1,-0.1 0.767 121.7 52.5 -68.0 -23.0 58.0 -18.3 54.1 158 36 B Y T 3> S+ 0 0 80 1,-0.2 4,-2.7 2,-0.1 -1,-0.2 0.468 80.6 94.5 -92.7 0.6 56.2 -16.0 51.7 159 37 B T H <> S+ 0 0 0 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.864 84.5 49.7 -62.8 -37.8 55.9 -13.1 54.2 160 38 B P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.952 113.1 47.5 -64.4 -44.2 59.1 -11.3 53.0 161 39 B N H > S+ 0 0 22 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.913 112.7 49.0 -58.0 -45.1 57.9 -11.6 49.4 162 40 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.864 108.9 51.8 -66.7 -36.8 54.5 -10.3 50.3 163 41 B L H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.931 111.7 48.9 -63.6 -43.5 55.9 -7.3 52.2 164 42 B Y H X S+ 0 0 29 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.954 114.4 42.6 -59.7 -51.2 58.0 -6.5 49.2 165 43 B W H X S+ 0 0 50 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.820 112.3 53.7 -70.4 -30.3 55.1 -6.7 46.7 166 44 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.937 109.8 48.9 -63.5 -47.3 52.7 -4.9 49.0 167 45 B G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 112.5 48.0 -55.2 -46.0 55.3 -2.1 49.2 168 46 B E H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.899 109.8 52.4 -64.1 -40.5 55.6 -2.1 45.4 169 47 B S H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.933 112.5 44.7 -62.0 -45.3 51.8 -2.0 45.0 170 48 B Y H <>S+ 0 0 8 -4,-2.6 5,-3.0 1,-0.2 3,-0.4 0.888 111.4 53.2 -65.1 -39.7 51.6 1.0 47.3 171 49 B Y H ><5S+ 0 0 59 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.909 106.1 54.7 -60.4 -42.1 54.5 2.7 45.6 172 50 B A H 3<5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 109.7 45.9 -63.6 -28.1 52.7 2.2 42.3 173 51 B T T 3<5S- 0 0 52 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.270 118.5-111.7 -98.3 11.9 49.7 4.0 43.6 174 52 B R T < 5S+ 0 0 184 -3,-1.6 2,-1.4 1,-0.2 -3,-0.2 0.743 72.8 140.6 63.5 27.7 51.8 6.8 45.1 175 53 B N >< + 0 0 54 -5,-3.0 4,-2.5 1,-0.2 -1,-0.2 -0.627 20.0 165.4 -92.7 73.6 51.0 5.8 48.6 176 54 B F H > + 0 0 20 -2,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.818 66.6 51.2 -69.4 -31.7 54.5 6.5 49.7 177 55 B Q H > S+ 0 0 37 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.918 113.3 45.4 -70.1 -43.4 53.9 6.4 53.5 178 56 B L H > S+ 0 0 11 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.912 114.6 50.0 -64.7 -41.3 52.1 3.0 53.4 179 57 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.938 107.0 54.8 -59.4 -50.9 54.9 1.8 51.0 180 58 B E H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.888 104.7 53.9 -48.1 -47.8 57.6 3.0 53.4 181 59 B A H X S+ 0 0 9 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.875 110.3 46.4 -61.1 -38.1 56.1 1.0 56.3 182 60 B Q H X S+ 0 0 14 -4,-1.4 4,-2.4 -3,-0.4 -2,-0.2 0.932 113.7 45.7 -71.7 -47.1 56.2 -2.2 54.4 183 61 B F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.888 111.8 54.0 -63.9 -36.6 59.7 -1.9 53.1 184 62 B R H X S+ 0 0 88 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.932 110.9 45.7 -60.9 -45.8 60.9 -0.9 56.6 185 63 B D H X S+ 0 0 8 -4,-1.9 4,-2.7 -5,-0.2 5,-0.3 0.897 110.6 53.9 -65.1 -40.4 59.3 -4.0 58.0 186 64 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.942 113.3 41.2 -56.5 -50.2 60.8 -6.2 55.3 187 65 B V H < S+ 0 0 14 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.860 116.3 49.9 -72.6 -35.8 64.3 -5.0 55.9 188 66 B S H < S+ 0 0 87 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.961 121.8 31.2 -62.2 -52.3 64.0 -5.0 59.7 189 67 B R H < S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.767 132.6 28.0 -83.3 -31.0 62.6 -8.5 60.0 190 68 B Y >< + 0 0 47 -4,-2.5 3,-2.0 -5,-0.3 -1,-0.2 -0.381 65.1 157.0-131.1 57.1 64.3 -10.2 57.0 191 69 B P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.687 78.3 44.2 -62.7 -20.2 67.6 -8.4 56.4 192 70 B T T 3 S+ 0 0 139 -3,-0.1 2,-0.1 4,-0.1 -5,-0.1 0.324 86.3 117.1-105.6 6.9 69.2 -11.4 54.6 193 71 B H S X> S- 0 0 56 -3,-2.0 3,-1.8 -7,-0.2 4,-0.5 -0.399 79.0-111.7 -72.1 155.1 66.2 -12.3 52.4 194 72 B D T 34 S+ 0 0 130 1,-0.3 4,-0.5 2,-0.1 3,-0.3 0.835 119.0 49.5 -50.6 -39.8 66.6 -12.1 48.6 195 73 B K T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.525 88.2 87.5 -79.8 -8.1 64.1 -9.2 48.6 196 74 B A H <> S+ 0 0 0 -3,-1.8 4,-2.5 2,-0.2 5,-0.2 0.912 86.3 48.0 -64.9 -46.8 65.9 -7.2 51.3 197 75 B A H X S+ 0 0 14 -4,-0.5 4,-2.3 -3,-0.3 -1,-0.2 0.952 116.9 43.2 -58.5 -52.6 68.3 -5.2 49.2 198 76 B G H > S+ 0 0 16 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.836 111.5 57.1 -59.4 -36.4 65.6 -4.2 46.7 199 77 B G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.902 107.2 47.1 -60.7 -43.2 63.3 -3.5 49.7 200 78 B L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.907 111.2 51.2 -67.2 -42.4 65.9 -1.0 51.1 201 79 B L H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.949 113.1 45.7 -56.0 -48.9 66.3 0.7 47.7 202 80 B K H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.791 106.7 58.7 -71.9 -26.5 62.5 1.0 47.5 203 81 B L H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.970 108.5 46.1 -57.9 -53.6 62.3 2.3 51.0 204 82 B G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.893 113.0 49.0 -55.3 -45.0 64.6 5.1 50.0 205 83 B L H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.861 109.2 52.4 -66.6 -35.8 62.6 5.8 46.8 206 84 B S H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.902 108.5 51.1 -63.4 -41.1 59.4 5.8 48.8 207 85 B Q H <>S+ 0 0 2 -4,-2.3 5,-2.2 2,-0.2 4,-0.3 0.910 108.1 51.6 -62.8 -40.1 61.0 8.4 51.2 208 86 B Y H ><5S+ 0 0 112 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.908 108.0 53.0 -61.2 -38.6 61.9 10.5 48.1 209 87 B G H 3<5S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.847 102.7 57.3 -62.1 -35.7 58.2 10.2 47.1 210 88 B E T 3<5S- 0 0 41 -4,-1.7 -1,-0.3 -34,-0.2 -2,-0.2 0.536 120.4-113.6 -68.7 -9.8 57.3 11.5 50.6 211 89 B G T < 5S+ 0 0 55 -3,-1.4 2,-1.5 -4,-0.3 -3,-0.2 0.520 77.7 134.6 81.7 8.5 59.4 14.6 49.7 212 90 B K >< + 0 0 88 -5,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.607 22.9 167.6 -91.8 76.4 61.9 13.5 52.5 213 91 B N H > S+ 0 0 65 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.860 72.8 49.7 -59.9 -42.7 65.1 14.0 50.5 214 92 B T H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 113.4 45.7 -63.2 -48.0 67.4 13.8 53.5 215 93 B E H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.917 113.8 51.0 -59.2 -45.9 65.9 10.6 54.8 216 94 B A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.899 108.5 50.1 -62.6 -43.4 65.9 9.2 51.2 217 95 B Q H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.913 110.4 50.2 -62.7 -41.2 69.6 10.0 50.6 218 96 B Q H X S+ 0 0 136 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.912 112.6 47.2 -61.3 -44.1 70.6 8.3 53.9 219 97 B T H X S+ 0 0 8 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.915 110.6 50.6 -66.8 -43.1 68.6 5.2 53.0 220 98 B L H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 3,-0.4 0.901 109.8 51.0 -62.6 -41.0 70.0 4.9 49.5 221 99 B Q H X S+ 0 0 81 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.913 104.2 59.1 -60.4 -40.6 73.5 5.2 50.9 222 100 B Q H X S+ 0 0 66 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.805 98.4 59.1 -58.4 -31.8 72.6 2.4 53.3 223 101 B V H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.4 -1,-0.2 0.938 107.7 45.2 -62.2 -45.9 71.9 0.1 50.3 224 102 B A H < S+ 0 0 22 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.879 118.8 43.1 -63.1 -39.5 75.4 0.5 49.1 225 103 B T H < S+ 0 0 99 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.865 123.4 33.2 -78.3 -40.0 76.8 0.0 52.6 226 104 B Q H < S+ 0 0 99 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.740 130.3 31.4 -90.5 -26.2 74.7 -2.9 53.7 227 105 B Y S >< S+ 0 0 39 -4,-2.3 3,-1.7 -5,-0.4 6,-0.4 -0.395 78.9 179.5-129.6 56.0 74.2 -4.7 50.4 228 106 B P T 3 + 0 0 97 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.289 69.3 18.9 -61.6 140.2 77.4 -4.0 48.4 229 107 B G T 3 S+ 0 0 85 1,-0.3 2,-0.1 -5,-0.1 -5,-0.1 0.288 93.3 129.0 85.1 -10.0 77.6 -5.6 44.9 230 108 B S S <> S- 0 0 31 -3,-1.7 4,-1.6 -7,-0.2 -1,-0.3 -0.355 71.6-120.4 -73.5 155.2 73.8 -6.1 44.7 231 109 B D H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 117.0 58.6 -57.3 -38.3 71.8 -5.0 41.7 232 110 B A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.883 103.5 50.5 -61.0 -40.0 69.8 -2.9 44.3 233 111 B A H > S+ 0 0 8 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.857 107.6 53.9 -65.4 -37.6 73.0 -1.1 45.3 234 112 B R H X S+ 0 0 143 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.943 114.5 40.1 -60.7 -48.6 73.8 -0.3 41.6 235 113 B V H X S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.918 111.6 57.6 -67.2 -43.3 70.4 1.3 41.1 236 114 B A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.875 106.6 49.2 -56.0 -41.8 70.5 3.0 44.6 237 115 B Q H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.900 108.9 51.3 -68.7 -39.3 73.7 4.8 43.6 238 116 B E H X S+ 0 0 133 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.939 116.2 42.0 -58.3 -47.3 72.4 6.0 40.3 239 117 B R H X S+ 0 0 111 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.885 111.3 55.2 -71.1 -36.4 69.3 7.4 42.0 240 118 B L H X S+ 0 0 5 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.925 108.0 48.3 -62.2 -44.2 71.3 8.8 45.0 241 119 B Q H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.877 109.4 53.8 -66.4 -35.7 73.6 10.8 42.7 242 120 B S H < S+ 0 0 87 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.938 112.5 43.7 -60.2 -48.4 70.5 12.2 40.8 243 121 B I H >< S+ 0 0 16 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.940 112.9 51.6 -63.3 -47.8 69.0 13.4 44.0 244 122 B R H 3< S+ 0 0 147 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.867 113.1 44.5 -57.9 -39.7 72.2 14.8 45.4 245 123 B L T 3< 0 0 125 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.385 360.0 360.0 -89.0 2.0 72.8 16.8 42.2 246 124 B G < 0 0 97 -3,-1.4 -3,-0.0 -4,-0.3 -4,-0.0 -0.417 360.0 360.0 -94.3 360.0 69.2 18.0 42.0 247 !* 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 0.0 248 3 C T > 0 0 133 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 40.4 35.1 -33.4 56.0 249 4 C A H > + 0 0 37 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 360.0 50.4 -57.5 -45.8 37.1 -30.1 55.5 250 5 C Y H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 111.2 48.5 -56.9 -47.5 34.8 -29.0 52.7 251 6 C N H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.838 108.1 53.5 -66.2 -34.1 31.6 -29.7 54.7 252 7 C V H X S+ 0 0 81 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.926 113.3 44.3 -63.9 -43.6 32.9 -27.8 57.8 253 8 C A H X S+ 0 0 0 -4,-2.0 4,-1.9 15,-0.2 -2,-0.2 0.923 113.8 49.7 -65.5 -45.2 33.6 -24.8 55.6 254 9 C F H X S+ 0 0 68 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.862 106.9 55.5 -65.5 -35.1 30.3 -25.1 53.8 255 10 C D H X S+ 0 0 75 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.890 106.1 50.9 -64.7 -39.6 28.4 -25.3 57.1 256 11 C A H <>S+ 0 0 12 -4,-1.6 5,-2.7 2,-0.2 -1,-0.2 0.923 112.3 47.7 -63.0 -42.8 29.9 -22.0 58.3 257 12 C L H ><5S+ 0 0 19 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.932 109.4 51.6 -61.8 -48.8 28.8 -20.4 55.0 258 13 C K H 3<5S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.831 109.9 51.8 -58.3 -32.7 25.3 -21.8 55.3 259 14 C N T 3<5S- 0 0 87 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.324 118.0-112.6 -87.2 5.9 25.1 -20.4 58.8 260 15 C G T < 5S+ 0 0 32 -3,-1.9 2,-1.4 1,-0.2 -3,-0.2 0.674 73.7 136.7 72.8 18.3 26.2 -16.9 57.7 261 16 C K >< + 0 0 116 -5,-2.7 4,-2.9 1,-0.2 -1,-0.2 -0.646 23.1 167.0 -95.1 77.7 29.5 -17.1 59.5 262 17 C Y H > + 0 0 87 -2,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.831 68.9 51.3 -70.9 -35.5 31.4 -15.6 56.5 263 18 C D H > S+ 0 0 115 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.951 114.8 44.8 -64.8 -47.9 34.6 -14.8 58.3 264 19 C D H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.935 112.9 52.4 -56.8 -47.0 34.8 -18.4 59.6 265 20 C A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.893 106.3 52.8 -60.1 -40.7 33.8 -19.7 56.2 266 21 C S H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.943 111.8 45.1 -61.9 -42.8 36.6 -17.8 54.4 267 22 C Q H X S+ 0 0 88 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.916 114.0 49.5 -66.3 -41.5 39.2 -19.2 56.8 268 23 C L H X S+ 0 0 62 -4,-2.6 4,-2.3 2,-0.2 -15,-0.2 0.865 111.0 48.5 -69.2 -35.1 37.8 -22.7 56.5 269 24 C F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.888 110.2 52.8 -71.4 -34.0 37.7 -22.6 52.7 270 25 C L H X S+ 0 0 7 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.932 109.2 49.5 -62.4 -42.2 41.3 -21.3 52.7 271 26 C S H X S+ 0 0 65 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.940 110.4 50.4 -59.0 -47.2 42.3 -24.2 54.8 272 27 C F H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.897 108.3 52.1 -56.8 -43.7 40.5 -26.6 52.4 273 28 C L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.827 106.2 54.1 -66.6 -31.9 42.3 -25.0 49.5 274 29 C E H < S+ 0 0 95 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.845 113.2 43.9 -67.6 -34.1 45.7 -25.6 51.2 275 30 C L H < S+ 0 0 112 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.837 127.5 28.8 -78.4 -34.3 44.7 -29.2 51.6 276 31 C Y >< + 0 0 115 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.3 -0.708 67.6 166.8-127.3 79.7 43.4 -29.6 48.1 277 32 C P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.784 86.7 7.2 -69.0 -25.6 45.3 -27.1 45.9 278 33 C N T 3 S+ 0 0 127 4,-0.0 2,-0.1 5,-0.0 -5,-0.0 -0.246 102.7 128.8-147.4 49.3 44.1 -28.6 42.5 279 34 C G S X S- 0 0 26 -3,-0.7 3,-1.1 -6,-0.1 -3,-0.1 -0.307 73.1 -81.5-104.4-174.3 41.6 -31.3 43.6 280 35 C V T 3 S+ 0 0 114 1,-0.3 4,-0.3 2,-0.1 -4,-0.0 0.863 127.2 35.0 -56.1 -44.2 38.0 -32.2 42.7 281 36 C Y T 3> S+ 0 0 128 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.291 86.7 103.8-101.5 8.6 36.3 -29.6 44.9 282 37 C T H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.930 81.9 49.8 -52.0 -49.9 38.9 -26.9 44.4 283 38 C P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.926 111.4 49.8 -58.1 -44.1 36.6 -25.0 41.9 284 39 C N H > S+ 0 0 22 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.924 111.2 48.9 -53.8 -48.5 33.7 -25.2 44.4 285 40 C A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.855 109.1 51.4 -67.2 -37.6 36.0 -23.9 47.2 286 41 C L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.930 111.6 49.5 -62.1 -42.9 37.2 -21.0 45.1 287 42 C Y H X S+ 0 0 30 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.943 114.7 41.6 -61.0 -50.6 33.6 -20.1 44.4 288 43 C W H X S+ 0 0 54 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.834 112.2 54.9 -69.9 -32.5 32.4 -20.3 48.0 289 44 C L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.956 109.8 48.1 -60.3 -48.1 35.6 -18.5 49.2 290 45 C G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.924 112.6 48.2 -57.2 -46.2 34.7 -15.7 46.7 291 46 C E H X S+ 0 0 30 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.880 107.8 55.7 -62.8 -38.8 31.1 -15.7 48.0 292 47 C S H X S+ 0 0 1 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.901 113.1 41.3 -60.1 -42.6 32.3 -15.5 51.6 293 48 C Y H ><>S+ 0 0 16 -4,-2.1 5,-2.7 2,-0.2 3,-0.6 0.867 112.0 54.8 -72.5 -39.2 34.3 -12.4 50.8 294 49 C Y H ><5S+ 0 0 68 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.919 103.0 57.4 -58.7 -42.9 31.6 -10.9 48.7 295 50 C A H 3<5S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.736 108.7 45.4 -60.7 -28.2 29.2 -11.2 51.6 296 51 C T T <<5S- 0 0 63 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.177 119.5-108.5-102.7 13.9 31.4 -9.1 53.9 297 52 C R T < 5S+ 0 0 179 -3,-1.8 2,-1.6 1,-0.2 3,-0.2 0.677 74.3 140.7 67.2 22.6 32.0 -6.5 51.1 298 53 C N >< + 0 0 48 -5,-2.7 4,-2.6 1,-0.2 -1,-0.2 -0.565 22.3 164.7 -86.0 70.3 35.6 -7.6 50.6 299 54 C F H > + 0 0 19 -2,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.853 65.0 50.0 -65.9 -40.3 35.1 -7.1 46.9 300 55 C Q H > S+ 0 0 42 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 114.1 46.9 -66.6 -38.8 38.7 -7.1 45.8 301 56 C L H > S+ 0 0 11 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.915 113.4 48.7 -65.2 -43.0 39.4 -10.3 47.7 302 57 C A H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.8 0.949 107.7 55.6 -60.6 -50.3 36.2 -11.9 46.3 303 58 C E H 3X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.3 -1,-0.2 0.876 103.9 54.4 -45.9 -48.9 37.1 -10.8 42.7 304 59 C A H 3X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.831 108.8 47.2 -61.5 -36.3 40.5 -12.6 42.9 305 60 C Q H < + 0 0 48 -4,-2.7 3,-1.8 -5,-0.3 -1,-0.2 -0.430 65.0 158.2-131.7 59.6 38.3 -24.1 35.5 314 69 C P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.691 78.5 44.9 -66.8 -19.1 36.5 -22.3 32.6 315 70 C T T 3 S+ 0 0 139 -3,-0.1 -5,-0.1 4,-0.1 -2,-0.0 0.396 86.2 118.7-101.0 1.8 34.2 -25.2 31.9 316 71 C H S X> S- 0 0 55 -3,-1.8 3,-1.7 -7,-0.2 4,-0.6 -0.298 78.2-113.2 -64.0 151.3 33.3 -26.0 35.5 317 72 C D T 34 S+ 0 0 142 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.830 118.6 49.7 -49.4 -37.0 29.6 -25.8 36.6 318 73 C K T 3> S+ 0 0 38 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.551 88.7 86.5 -83.2 -9.4 30.6 -22.8 38.8 319 74 C A H <> S+ 0 0 0 -3,-1.7 4,-2.6 -6,-0.2 5,-0.2 0.910 86.0 48.2 -62.8 -48.0 32.5 -20.9 36.2 320 75 C A H X S+ 0 0 13 -4,-0.6 4,-2.2 -3,-0.3 -1,-0.2 0.938 116.2 44.3 -58.6 -48.6 29.7 -18.9 34.6 321 76 C G H > S+ 0 0 17 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.814 111.3 56.5 -62.2 -35.0 28.4 -17.8 38.0 322 77 C G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.915 106.5 47.7 -65.9 -43.4 31.9 -17.1 39.0 323 78 C L H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.901 110.9 52.1 -66.1 -41.3 32.4 -14.7 36.1 324 79 C L H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.936 112.1 46.0 -51.7 -49.6 29.1 -13.0 37.0 325 80 C K H X S+ 0 0 36 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.811 106.4 58.8 -72.6 -29.2 30.3 -12.6 40.6 326 81 C L H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.966 110.0 43.9 -55.2 -53.1 33.7 -11.3 39.4 327 82 C G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 113.0 50.5 -61.2 -42.4 31.8 -8.5 37.6 328 83 C L H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.845 108.2 53.9 -64.9 -32.7 29.6 -7.9 40.6 329 84 C S H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.919 108.1 49.2 -66.4 -42.8 32.6 -7.7 42.8 330 85 C Q H X>S+ 0 0 7 -4,-2.2 5,-2.3 1,-0.2 4,-0.5 0.911 110.3 51.0 -62.2 -41.8 34.1 -5.1 40.5 331 86 C Y H ><5S+ 0 0 118 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.925 106.2 55.0 -60.4 -41.8 30.9 -3.2 40.7 332 87 C G H 3<5S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.6 54.0 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