==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-09 3K1S . COMPND 2 MOLECULE: PTS SYSTEM, CELLOBIOSE-SPECIFIC IIA COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,K.KWON,W.F.ANDERSON, . 951 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 87.4 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 . 32 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 730 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 0 0 0 1 18 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 S 0 0 55 0, 0.0 277,-0.2 0, 0.0 276,-0.2 0.000 360.0 360.0 360.0 171.6 10.5 -9.4 75.2 2 -1 A N + 0 0 120 275,-3.1 3,-0.2 1,-0.2 276,-0.1 0.817 360.0 49.8 -62.3 -33.5 8.3 -12.6 75.2 3 0 A A S S+ 0 0 100 274,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.920 130.1 2.9 -71.1 -45.0 5.4 -10.5 76.7 4 1 A X - 0 0 144 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.971 59.1-160.5-148.9 128.1 5.6 -7.7 74.2 5 2 A X - 0 0 76 -2,-0.3 2,-0.1 -3,-0.2 5,-0.0 -0.950 16.6-150.7-107.3 121.6 7.8 -7.1 71.1 6 3 A T - 0 0 66 -2,-0.5 4,-0.2 1,-0.1 3,-0.0 -0.411 28.5-108.4 -79.1 163.3 8.0 -3.5 69.9 7 4 A T S > S+ 0 0 112 1,-0.2 3,-2.3 2,-0.2 4,-0.4 0.939 121.0 51.8 -57.6 -51.1 8.6 -2.6 66.2 8 5 A A T > S+ 0 0 63 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.854 100.5 64.1 -52.4 -38.3 12.2 -1.5 66.8 9 6 A E T 3> S+ 0 0 63 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.538 87.3 73.8 -67.2 -5.8 12.8 -4.8 68.6 10 7 A Q H <> S+ 0 0 97 -3,-2.3 4,-1.9 -4,-0.2 -1,-0.3 0.772 80.0 73.0 -74.5 -28.2 12.1 -6.5 65.2 11 8 A I H <> S+ 0 0 41 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 0.922 92.0 51.7 -58.1 -51.8 15.5 -5.4 63.8 12 9 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.915 110.3 49.8 -53.2 -45.2 17.6 -7.8 65.8 13 10 A F H X S+ 0 0 112 -4,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.870 111.7 48.2 -59.4 -41.1 15.5 -10.8 64.7 14 11 A Q H X S+ 0 0 77 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.878 111.5 49.8 -68.1 -41.1 15.8 -9.7 61.0 15 12 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.879 112.5 47.6 -63.2 -39.7 19.5 -9.3 61.2 16 13 A I H X S+ 0 0 45 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.915 111.3 51.0 -70.7 -42.9 19.9 -12.7 62.8 17 14 A L H X S+ 0 0 96 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.962 118.8 35.1 -55.4 -57.4 17.7 -14.4 60.2 18 15 A N H X S+ 0 0 27 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 120.4 47.0 -69.2 -49.0 19.5 -12.9 57.2 19 16 A S H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.884 112.2 52.4 -56.9 -42.6 23.1 -13.0 58.7 20 17 A G H X S+ 0 0 21 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.922 110.3 47.0 -61.2 -46.2 22.4 -16.6 59.9 21 18 A N H X S+ 0 0 76 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.853 110.5 54.0 -63.4 -35.7 21.4 -17.6 56.4 22 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.961 110.7 45.1 -60.6 -50.4 24.5 -15.8 55.0 23 20 A R H X S+ 0 0 62 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.924 112.3 52.5 -61.2 -43.4 26.7 -17.8 57.4 24 21 A S H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.889 109.1 49.1 -58.4 -42.7 24.8 -21.0 56.5 25 22 A F H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.928 110.8 50.7 -64.0 -44.0 25.4 -20.4 52.7 26 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.914 113.3 44.1 -60.5 -45.1 29.1 -19.8 53.2 27 24 A X H X S+ 0 0 31 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.886 111.6 53.4 -68.9 -38.5 29.5 -23.0 55.2 28 25 A E H X S+ 0 0 93 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.917 111.2 47.8 -58.7 -42.4 27.4 -24.9 52.7 29 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.893 109.7 51.9 -63.9 -43.5 29.8 -23.6 50.0 30 27 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.957 111.2 47.9 -57.6 -50.4 32.8 -24.5 52.1 31 28 A Q H X S+ 0 0 91 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.863 110.7 51.3 -59.1 -41.7 31.5 -28.1 52.4 32 29 A F H ><>S+ 0 0 59 -4,-2.3 5,-2.6 2,-0.2 3,-1.2 0.952 109.8 48.9 -57.7 -52.3 30.7 -28.3 48.7 33 30 A A H ><5S+ 0 0 1 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.875 104.9 59.4 -56.7 -40.5 34.3 -27.2 47.8 34 31 A K H 3<5S+ 0 0 54 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.768 107.0 47.5 -58.9 -28.6 35.6 -29.7 50.2 35 32 A Q T <<5S- 0 0 117 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.357 123.0-106.8 -93.2 2.6 33.8 -32.4 48.1 36 33 A G T < 5S+ 0 0 27 -3,-1.9 2,-1.5 -4,-0.2 -3,-0.2 0.599 78.8 137.1 79.1 12.8 35.2 -31.0 44.9 37 34 A K >< + 0 0 80 -5,-2.6 4,-1.6 1,-0.2 -1,-0.2 -0.602 20.3 160.8 -89.5 74.0 31.7 -29.6 44.1 38 35 A X H > + 0 0 30 -2,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.843 65.5 51.2 -72.3 -39.0 33.1 -26.3 42.9 39 36 A A H > S+ 0 0 71 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.860 112.3 47.8 -66.5 -38.1 30.2 -25.0 40.8 40 37 A E H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.828 112.9 50.1 -70.0 -35.4 27.8 -25.6 43.8 41 38 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.947 109.1 50.3 -65.0 -51.8 30.3 -23.8 46.0 42 39 A D H X S+ 0 0 76 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.910 113.0 47.1 -53.3 -45.2 30.6 -20.8 43.7 43 40 A E H X S+ 0 0 121 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.848 109.0 52.9 -68.1 -37.1 26.8 -20.5 43.6 44 41 A A H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.837 106.1 55.1 -66.6 -33.5 26.3 -20.8 47.4 45 42 A X H X S+ 0 0 26 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.877 104.4 53.8 -63.9 -39.0 28.9 -18.0 47.8 46 43 A V H X S+ 0 0 89 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.916 110.3 46.8 -59.1 -43.8 26.7 -15.8 45.5 47 44 A K H X S+ 0 0 97 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.865 108.2 55.8 -69.3 -35.9 23.7 -16.6 47.8 48 45 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.964 108.7 47.9 -54.9 -53.3 25.8 -15.8 50.9 49 46 A K H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.901 110.0 52.0 -55.0 -47.4 26.6 -12.4 49.4 50 47 A E H X S+ 0 0 69 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.877 108.7 50.9 -57.8 -41.2 22.9 -11.8 48.6 51 48 A A H X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.858 108.2 51.3 -68.2 -38.5 22.0 -12.6 52.2 52 49 A I H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.861 106.9 55.9 -62.0 -38.4 24.6 -10.2 53.6 53 50 A N H X S+ 0 0 35 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.936 107.7 47.7 -58.9 -46.2 23.1 -7.6 51.3 54 51 A E H X S+ 0 0 54 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.885 113.8 46.7 -63.0 -41.2 19.6 -8.1 52.9 55 52 A A H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.8 0.886 107.0 59.5 -64.9 -38.9 21.1 -7.9 56.4 56 53 A H H 3X S+ 0 0 72 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.868 93.4 65.3 -60.8 -37.9 23.0 -4.8 55.3 57 54 A H H 3X S+ 0 0 25 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.874 104.9 44.4 -50.7 -43.0 19.8 -3.0 54.5 58 55 A F H S+ 0 0 18 -4,-2.0 5,-2.4 -5,-0.2 4,-0.4 0.944 108.1 45.7 -44.6 -55.1 18.5 6.3 62.8 66 63 A E H ><5S+ 0 0 35 -4,-1.7 3,-2.3 1,-0.2 -2,-0.2 0.921 106.8 57.6 -56.6 -47.7 21.2 7.1 65.4 67 64 A A H 3<5S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 104.7 53.3 -50.6 -36.6 22.7 9.8 63.1 68 65 A R T 3<5S- 0 0 80 -4,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.605 125.2-106.1 -74.5 -12.0 19.2 11.4 63.2 69 66 A G T < 5S+ 0 0 66 -3,-2.3 2,-1.2 -4,-0.4 -3,-0.2 0.623 74.0 143.7 90.3 16.3 19.3 11.4 67.0 70 67 A E < - 0 0 97 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.763 47.4-140.5 -88.2 92.7 16.8 8.5 67.3 71 68 A K - 0 0 111 -2,-1.2 2,-0.3 -3,-0.1 109,-0.1 -0.353 11.8-141.7 -59.9 122.4 18.3 6.7 70.2 72 69 A T - 0 0 25 -2,-0.2 2,-0.6 -10,-0.1 -1,-0.1 -0.630 18.5-113.8 -84.3 143.7 18.1 2.9 69.8 73 70 A E - 0 0 135 -2,-0.3 2,-0.5 107,-0.0 5,-0.1 -0.702 31.3-140.7 -76.7 118.1 17.3 0.6 72.8 74 71 A I + 0 0 15 -2,-0.6 2,-0.3 105,-0.1 210,-0.1 -0.722 33.2 160.7 -85.6 126.8 20.5 -1.4 73.5 75 72 A S > - 0 0 20 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.908 54.3-105.3-138.3 163.7 19.8 -5.0 74.4 76 73 A V H > S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.925 121.2 53.0 -53.2 -45.5 21.6 -8.4 74.5 77 74 A L H > S+ 0 0 28 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.907 107.8 49.1 -62.4 -43.5 19.7 -9.4 71.4 78 75 A L H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 113.2 47.3 -60.4 -42.7 20.7 -6.3 69.4 79 76 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 113.9 47.9 -63.8 -45.4 24.4 -6.8 70.4 80 77 A H H X S+ 0 0 26 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.899 110.1 52.7 -59.4 -44.6 24.1 -10.5 69.5 81 78 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.903 109.5 48.6 -59.2 -43.9 22.4 -9.5 66.2 82 79 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.903 110.3 52.3 -62.7 -40.8 25.3 -7.2 65.4 83 80 A D H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.928 109.2 49.8 -59.8 -47.1 27.7 -10.0 66.3 84 81 A H H X S+ 0 0 39 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.889 110.3 49.8 -60.1 -42.0 26.0 -12.3 63.9 85 82 A L H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.960 115.4 41.8 -63.0 -52.8 26.0 -9.8 61.0 86 83 A X H X S+ 0 0 7 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.837 114.3 53.9 -62.7 -35.0 29.8 -9.1 61.4 87 84 A N H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.896 105.4 52.3 -64.1 -43.9 30.4 -12.8 61.9 88 85 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.901 109.0 50.7 -58.5 -43.4 28.6 -13.7 58.7 89 86 A I H X S+ 0 0 54 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.915 112.8 46.1 -60.8 -44.6 30.8 -11.2 56.8 90 87 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.924 113.4 48.5 -65.7 -44.9 33.9 -12.8 58.4 91 88 A V H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.907 112.3 48.3 -63.6 -44.3 32.9 -16.4 57.7 92 89 A K H X S+ 0 0 40 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.938 111.4 51.0 -58.9 -47.5 32.0 -15.6 54.0 93 90 A E H X S+ 0 0 54 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.864 116.9 38.9 -60.7 -39.8 35.3 -13.8 53.5 94 91 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 3,-0.4 0.845 109.4 59.2 -81.6 -33.7 37.3 -16.7 54.9 95 92 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.3 -2,-0.2 0.866 100.7 58.2 -61.3 -37.8 35.2 -19.4 53.3 96 93 A A H X S+ 0 0 34 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.869 107.3 48.5 -51.9 -39.8 36.1 -17.8 50.0 97 94 A E H X S+ 0 0 12 -4,-0.6 4,-1.7 -3,-0.4 -2,-0.2 0.829 109.3 50.0 -77.0 -34.5 39.7 -18.5 51.0 98 95 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 110.9 51.6 -63.2 -43.3 39.0 -22.1 52.0 99 96 A I H X S+ 0 0 5 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.908 109.7 48.1 -61.5 -44.3 37.3 -22.6 48.6 100 97 A D H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.888 110.4 52.7 -64.1 -38.5 40.3 -21.2 46.7 101 98 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.869 108.2 50.1 -65.5 -38.3 42.6 -23.4 48.7 102 99 A Y H X S+ 0 0 9 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.851 108.8 52.6 -67.9 -34.1 40.6 -26.5 47.8 103 100 A K H X S+ 0 0 64 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.882 109.4 49.4 -65.4 -39.4 40.7 -25.5 44.1 104 101 A K H X S+ 0 0 89 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.891 107.8 53.5 -65.9 -41.1 44.5 -25.2 44.3 105 102 A L H X S+ 0 0 14 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.787 110.6 47.4 -66.4 -31.3 44.8 -28.6 45.9 106 103 A E H < S+ 0 0 112 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.840 105.3 59.6 -69.4 -40.0 42.7 -30.1 43.1 107 104 A A H < S+ 0 0 88 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.748 112.2 40.3 -61.9 -25.4 44.9 -28.3 40.6 108 105 A K H < 0 0 84 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.950 360.0 360.0 -89.5 -66.1 48.0 -30.1 41.9 109 106 A G < 0 0 86 -4,-1.5 -1,-0.2 0, 0.0 -2,-0.1 -0.317 360.0 360.0 -75.1 360.0 47.0 -33.8 42.6 110 !* 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 0.0 111 3 B T > 0 0 81 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -18.1 33.1 14.2 73.3 112 4 B T G > + 0 0 80 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.831 360.0 61.4 -53.9 -34.5 36.6 13.4 72.0 113 5 B A G > S+ 0 0 61 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.798 91.2 66.9 -61.2 -29.4 35.8 9.9 73.5 114 6 B E G < S+ 0 0 116 -3,-1.2 4,-0.3 1,-0.3 -1,-0.3 0.497 86.8 68.4 -73.9 -3.3 32.9 9.8 71.0 115 7 B Q G <> S+ 0 0 36 -3,-1.7 4,-2.3 -4,-0.2 -1,-0.3 0.495 75.8 92.6 -82.7 -8.1 35.6 9.7 68.2 116 8 B I H <> S+ 0 0 15 -3,-1.9 4,-2.4 1,-0.2 5,-0.2 0.923 80.1 51.2 -56.1 -50.2 36.4 6.2 69.5 117 9 B P H > S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.927 111.5 47.6 -53.9 -49.3 34.0 4.4 67.1 118 10 B F H > S+ 0 0 37 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.918 113.3 47.1 -56.6 -47.8 35.4 6.2 64.0 119 11 B Q H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 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57.7 -58.5 -40.3 22.2 6.0 40.7 523 93 E A H X S+ 0 0 32 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.902 105.7 49.3 -54.3 -42.3 18.9 7.5 39.6 524 94 E E H X S+ 0 0 19 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.891 109.3 51.3 -69.0 -38.0 20.1 7.2 36.0 525 95 E F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 111.2 49.1 -58.8 -45.6 21.1 3.5 36.6 526 96 E I H X S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.948 110.1 50.4 -58.5 -51.8 17.6 3.0 38.0 527 97 E D H X S+ 0 0 65 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.928 108.8 52.8 -48.9 -50.8 16.0 4.7 35.0 528 98 E L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.900 109.4 47.7 -56.5 -46.2 18.0 2.5 32.7 529 99 E Y H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.894 110.7 52.2 -62.2 -40.9 16.8 -0.7 34.4 530 100 E K H X S+ 0 0 69 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.880 108.4 50.6 -64.3 -40.4 13.2 0.5 34.3 531 101 E K H >< S+ 0 0 80 -4,-2.5 3,-0.6 -5,-0.2 -1,-0.2 0.935 110.6 50.0 -58.8 -46.9 13.5 1.1 30.5 532 102 E L H >< S+ 0 0 2 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.866 107.8 52.3 -62.3 -39.7 14.9 -2.4 30.0 533 103 E E H >< S+ 0 0 116 -4,-2.1 3,-0.9 1,-0.2 -1,-0.3 0.750 100.3 65.7 -66.0 -24.5 12.1 -4.0 32.0 534 104 E A T << S+ 0 0 89 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.382 105.7 41.3 -82.0 2.9 9.6 -2.1 29.8 535 105 E K T < 0 0 90 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.131 360.0 360.0-136.7 20.6 10.6 -4.1 26.7 536 106 E G < 0 0 99 -3,-0.9 -3,-0.2 -4,-0.0 -2,-0.1 0.718 360.0 360.0 50.1 360.0 11.0 -7.7 28.0 537 !* 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 0.0 538 3 F T 0 0 189 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 68.0 43.6 39.2 44.4 539 4 F T - 0 0 72 1,-0.1 4,-0.4 2,-0.0 3,-0.1 -0.327 360.0-130.8 -65.0 149.6 40.4 38.5 46.4 540 5 F A S S+ 0 0 62 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.825 104.5 46.7 -71.8 -33.0 40.2 35.2 48.2 541 6 F E S > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.680 88.4 88.7 -83.8 -20.3 36.7 34.3 46.8 542 7 F Q H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.881 92.4 37.4 -49.6 -56.9 37.4 35.2 43.2 543 8 F I H > S+ 0 0 54 -4,-0.4 4,-3.3 1,-0.2 5,-0.2 0.943 115.0 54.1 -67.5 -48.1 38.8 31.8 41.9 544 9 F P H > S+ 0 0 5 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.921 110.1 48.4 -47.2 -49.6 36.4 29.7 44.0 545 10 F F H X S+ 0 0 127 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.919 113.0 46.1 -59.7 -48.3 33.4 31.6 42.5 546 11 F Q H X S+ 0 0 82 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.927 114.6 49.2 -56.9 -49.7 34.6 31.2 39.0 547 12 F L H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.898 112.5 47.1 -55.7 -47.0 35.3 27.5 39.6 548 13 F I H X S+ 0 0 38 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.867 113.3 47.1 -69.6 -39.4 31.9 26.9 41.2 549 14 F L H X S+ 0 0 106 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.961 117.2 40.9 -67.1 -52.4 29.9 28.7 38.4 550 15 F N H X S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.896 117.9 48.3 -62.8 -42.0 31.7 27.0 35.5 551 16 F S H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.928 111.0 50.2 -64.1 -46.8 31.8 23.6 37.2 552 17 F G H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.911 112.8 46.5 -58.3 -45.3 28.0 23.8 38.1 553 18 F N H X S+ 0 0 76 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.875 111.0 52.4 -65.9 -38.1 27.1 24.7 34.5 554 19 F A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.934 109.6 49.3 -60.6 -49.2 29.3 21.9 33.2 555 20 F R H X S+ 0 0 34 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.940 111.3 49.8 -53.8 -50.2 27.6 19.4 35.5 556 21 F S H X S+ 0 0 65 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.956 110.7 48.8 -55.3 -53.6 24.2 20.7 34.3 557 22 F F H X S+ 0 0 51 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.872 110.0 52.3 -53.0 -43.3 25.1 20.4 30.6 558 23 F A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.907 111.8 45.3 -63.1 -41.3 26.4 16.9 31.2 559 24 F X H X S+ 0 0 11 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.749 110.6 55.3 -72.8 -24.9 23.1 15.9 32.9 560 25 F E H X S+ 0 0 68 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.884 105.2 52.0 -70.0 -42.8 21.3 17.6 30.0 561 26 F A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.922 110.2 49.2 -57.8 -45.2 23.1 15.5 27.5 562 27 F L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 110.6 49.8 -61.6 -45.8 22.1 12.4 29.4 563 28 F Q H X S+ 0 0 91 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 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