==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-APR-09 3H6P . COMPND 2 MOLECULE: ESAT-6 LIKE PROTEIN ESXS; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.CHAN,M.ARBING,T.PHAN,M.KAUFMANN,D.CASCIO,D.EISENBERG,TB ST . 238 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 85.3 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 79.8 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+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 1 1 0 0 0 2 0 0 0 0 0 0 2 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 17 A A > 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 131.7 -52.0 6.3 -2.0 2 18 A F H > + 0 0 1 126,-0.3 4,-3.0 125,-0.2 5,-0.2 0.927 360.0 52.7 -58.8 -45.9 -49.2 5.0 0.1 3 19 A A H > S+ 0 0 42 125,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.857 108.7 50.9 -59.9 -35.1 -49.4 1.6 -1.6 4 20 A A H > S+ 0 0 64 124,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.897 112.2 45.3 -67.8 -43.8 -49.1 3.3 -5.0 5 21 A K H X S+ 0 0 42 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 112.8 51.8 -66.6 -40.4 -46.0 5.4 -4.0 6 22 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.950 110.8 48.0 -60.5 -48.6 -44.5 2.2 -2.4 7 23 A G H X S+ 0 0 37 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 110.7 51.3 -54.7 -45.9 -45.1 0.3 -5.7 8 24 A L H X S+ 0 0 87 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.898 109.3 50.4 -60.5 -42.1 -43.6 3.1 -7.7 9 25 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 110.4 48.9 -63.5 -44.4 -40.4 3.1 -5.5 10 26 A R H X S+ 0 0 63 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.924 114.5 46.1 -61.3 -44.4 -40.0 -0.6 -5.8 11 27 A H H X S+ 0 0 110 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.938 112.3 50.2 -59.4 -48.7 -40.3 -0.3 -9.6 12 28 A T H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.854 106.0 55.5 -64.2 -38.4 -38.0 2.7 -9.9 13 29 A I H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.915 109.7 47.2 -58.0 -45.1 -35.3 0.9 -7.8 14 30 A G H X S+ 0 0 25 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.907 113.8 47.5 -66.5 -42.1 -35.3 -2.0 -10.3 15 31 A Q H X S+ 0 0 82 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 110.3 51.5 -62.4 -44.0 -35.2 0.3 -13.3 16 32 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.896 110.4 49.9 -60.4 -43.5 -32.4 2.4 -11.8 17 33 A E H X S+ 0 0 46 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.909 111.3 48.1 -60.7 -44.2 -30.4 -0.7 -11.2 18 34 A Q H X S+ 0 0 113 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.895 111.6 49.9 -65.8 -43.5 -30.9 -1.9 -14.8 19 35 A Q H X S+ 0 0 66 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.921 112.9 46.4 -57.7 -47.3 -29.9 1.4 -16.3 20 36 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.888 112.9 49.0 -66.4 -42.2 -26.7 1.6 -14.2 21 37 A M H X S+ 0 0 71 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.943 113.5 47.4 -61.3 -47.7 -25.7 -2.0 -15.0 22 38 A S H X S+ 0 0 79 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.869 111.2 50.6 -61.1 -42.5 -26.3 -1.4 -18.7 23 39 A A H X S+ 0 0 27 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.879 110.3 50.0 -65.5 -38.2 -24.4 1.9 -18.7 24 40 A Q H X S+ 0 0 27 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.929 110.7 48.9 -68.1 -42.8 -21.4 0.2 -17.0 25 41 A A H X S+ 0 0 60 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.936 113.6 47.8 -61.9 -43.9 -21.4 -2.6 -19.5 26 42 A F H X S+ 0 0 108 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.937 112.3 48.4 -59.7 -48.2 -21.5 -0.1 -22.4 27 43 A H H X S+ 0 0 116 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.874 109.4 51.9 -66.7 -36.8 -18.8 2.0 -20.9 28 44 A Q H X S+ 0 0 64 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.928 113.9 44.8 -61.8 -44.8 -16.4 -1.0 -20.3 29 45 A G H X S+ 0 0 38 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.881 112.5 50.7 -66.3 -41.2 -17.0 -2.0 -24.0 30 46 A E H X S+ 0 0 103 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.915 111.4 48.9 -64.1 -43.0 -16.5 1.5 -25.3 31 47 A S H X S+ 0 0 41 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.927 111.8 48.6 -60.2 -46.4 -13.3 1.9 -23.3 32 48 A A H X S+ 0 0 37 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.941 114.1 45.8 -62.2 -46.5 -12.0 -1.5 -24.6 33 49 A A H X S+ 0 0 55 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.883 112.5 50.6 -62.5 -41.5 -12.8 -0.6 -28.3 34 50 A A H X S+ 0 0 64 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.917 110.5 50.1 -67.0 -41.5 -11.3 2.9 -27.9 35 51 A F H X S+ 0 0 29 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.918 109.2 50.7 -60.7 -45.3 -8.1 1.4 -26.5 36 52 A Q H X S+ 0 0 139 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.932 113.1 46.3 -59.6 -44.7 -7.8 -1.1 -29.4 37 53 A G H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.946 113.8 47.4 -60.9 -49.9 -8.2 1.7 -31.9 38 54 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.906 111.7 51.6 -55.0 -45.9 -5.7 4.0 -30.2 39 55 A H H X S+ 0 0 40 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.897 109.0 49.7 -62.8 -44.1 -3.3 1.1 -29.9 40 56 A A H X S+ 0 0 63 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.914 112.2 48.7 -57.5 -44.2 -3.5 0.3 -33.6 41 57 A R H X S+ 0 0 139 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.864 110.2 51.8 -66.2 -37.5 -3.0 4.0 -34.4 42 58 A F H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.918 110.1 48.0 -62.3 -48.0 0.1 4.1 -32.1 43 59 A V H X S+ 0 0 73 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 112.1 49.5 -60.3 -45.4 1.6 1.0 -33.8 44 60 A A H X S+ 0 0 49 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.930 112.8 47.5 -61.1 -43.9 1.0 2.5 -37.3 45 61 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.896 109.3 53.2 -64.2 -42.2 2.6 5.8 -36.2 46 62 A A H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.876 105.0 54.8 -60.6 -41.3 5.6 4.1 -34.6 47 63 A A H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.915 109.9 47.6 -56.7 -41.4 6.3 2.2 -37.9 48 64 A K H X S+ 0 0 110 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.917 109.6 52.4 -68.6 -42.0 6.4 5.6 -39.6 49 65 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.919 109.8 49.5 -59.2 -43.2 8.7 7.0 -37.0 50 66 A N H X S+ 0 0 51 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.923 111.4 48.1 -64.7 -41.7 11.0 4.0 -37.5 51 67 A T H X S+ 0 0 84 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.916 113.1 48.7 -60.0 -43.7 11.0 4.5 -41.3 52 68 A L H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.801 107.0 55.0 -70.4 -31.8 11.7 8.2 -40.9 53 69 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.883 107.9 50.4 -66.1 -39.8 14.6 7.6 -38.4 54 70 A D H X S+ 0 0 87 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.926 109.4 50.6 -62.6 -43.1 16.2 5.4 -41.0 55 71 A I H X S+ 0 0 27 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.914 110.4 49.7 -59.3 -43.5 15.8 8.1 -43.7 56 72 A A H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.945 110.6 49.9 -59.7 -47.7 17.4 10.6 -41.3 57 73 A Q H >< S+ 0 0 115 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.897 108.3 52.7 -58.7 -45.0 20.3 8.2 -40.6 58 74 A A H 3< S+ 0 0 49 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.734 108.6 52.5 -59.6 -27.9 20.9 7.7 -44.4 59 75 A N T << 0 0 7 -4,-1.1 150,-0.4 -3,-0.8 -1,-0.3 0.226 360.0 360.0 -98.3 12.4 21.0 11.5 -44.9 60 76 A L < 0 0 60 -3,-1.6 -2,-0.2 -5,-0.1 -1,-0.1 0.817 360.0 360.0 -94.2 360.0 23.7 12.1 -42.2 61 !* 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 62 14 B S > 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -80.3 26.8 14.6 -34.6 63 15 B H H > + 0 0 112 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.858 360.0 43.2 -79.6 -38.1 26.5 10.9 -35.7 64 16 B T H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.805 114.5 54.2 -75.6 -29.8 26.9 9.3 -32.2 65 17 B A H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.926 110.1 45.3 -63.8 -48.6 24.6 12.1 -31.0 66 18 B F H X S+ 0 0 4 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.932 112.5 52.2 -58.8 -45.9 22.0 11.1 -33.6 67 19 B A H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.915 108.0 51.3 -57.6 -43.6 22.5 7.4 -32.7 68 20 B A H X S+ 0 0 66 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.926 115.2 41.9 -57.4 -46.9 21.9 8.2 -29.0 69 21 B K H X S+ 0 0 55 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.887 113.3 51.0 -73.6 -40.9 18.7 10.0 -29.8 70 22 B A H X S+ 0 0 3 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.935 112.3 48.0 -60.6 -44.2 17.4 7.6 -32.3 71 23 B G H X S+ 0 0 40 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.900 112.1 48.6 -62.4 -43.9 18.0 4.7 -29.9 72 24 B L H X S+ 0 0 88 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.867 110.0 52.2 -65.2 -40.3 16.3 6.5 -27.0 73 25 B M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 111.5 46.5 -61.1 -45.6 13.3 7.3 -29.2 74 26 B R H X S+ 0 0 78 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.941 115.6 46.1 -63.7 -43.5 12.9 3.7 -30.2 75 27 B H H X S+ 0 0 111 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.935 111.9 50.9 -60.1 -47.2 13.3 2.6 -26.6 76 28 B T H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.840 105.6 55.9 -64.5 -34.9 10.8 5.2 -25.4 77 29 B I H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.936 109.9 45.9 -63.4 -44.2 8.2 4.2 -27.9 78 30 B G H X S+ 0 0 28 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.892 114.2 48.4 -64.1 -40.6 8.3 0.6 -26.6 79 31 B Q H X S+ 0 0 80 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 110.1 50.9 -66.3 -46.1 8.2 1.8 -23.0 80 32 B A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.889 110.2 51.0 -56.5 -44.1 5.3 4.1 -23.7 81 33 B E H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 112.3 44.7 -58.9 -51.3 3.4 1.3 -25.3 82 34 B Q H X S+ 0 0 110 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.911 114.2 50.1 -62.3 -43.8 3.9 -1.1 -22.4 83 35 B Q H X S+ 0 0 70 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.876 111.7 47.9 -57.5 -44.5 3.0 1.6 -19.9 84 36 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.850 110.7 50.8 -69.3 -37.9 -0.2 2.5 -21.7 85 37 B M H X S+ 0 0 71 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.903 113.2 46.3 -64.5 -43.8 -1.3 -1.2 -22.0 86 38 B S H X S+ 0 0 81 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.889 111.0 53.1 -63.9 -41.1 -0.7 -1.6 -18.3 87 39 B A H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.889 109.6 48.0 -63.1 -41.9 -2.6 1.6 -17.6 88 40 B Q H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.911 111.2 49.8 -64.5 -46.5 -5.7 0.5 -19.6 89 41 B A H X S+ 0 0 67 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.925 113.5 47.3 -59.0 -43.6 -5.8 -2.9 -17.9 90 42 B F H X S+ 0 0 124 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.927 111.4 50.0 -64.6 -45.0 -5.5 -1.1 -14.5 91 43 B H H X S+ 0 0 70 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.882 110.3 49.8 -62.7 -39.7 -8.3 1.4 -15.4 92 44 B Q H X S+ 0 0 46 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.910 113.9 46.1 -64.2 -43.1 -10.6 -1.4 -16.6 93 45 B G H X S+ 0 0 44 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.887 112.9 50.0 -63.8 -41.6 -10.0 -3.3 -13.3 94 46 B E H X S+ 0 0 101 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.907 111.2 48.4 -64.5 -45.9 -10.5 -0.1 -11.3 95 47 B S H X S+ 0 0 45 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 113.4 47.3 -61.0 -44.6 -13.7 0.8 -13.0 96 48 B A H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.929 113.3 47.9 -65.5 -44.8 -15.1 -2.8 -12.5 97 49 B A H X S+ 0 0 65 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.902 112.5 49.4 -61.2 -43.5 -14.1 -2.9 -8.8 98 50 B A H X S+ 0 0 62 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.900 113.4 46.1 -63.3 -43.8 -15.6 0.5 -8.1 99 51 B F H X S+ 0 0 25 -4,-2.2 4,-3.3 -5,-0.2 5,-0.2 0.922 110.7 52.4 -64.6 -47.0 -18.9 -0.5 -9.8 100 52 B Q H X S+ 0 0 123 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.910 111.8 46.8 -57.9 -43.1 -19.1 -3.8 -8.1 101 53 B G H X S+ 0 0 20 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.935 115.0 44.4 -64.1 -47.8 -18.7 -2.2 -4.7 102 54 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 112.4 53.3 -65.0 -41.0 -21.2 0.6 -5.3 103 55 B H H X S+ 0 0 38 -4,-3.3 4,-2.5 2,-0.2 -1,-0.2 0.903 108.0 50.7 -60.3 -43.1 -23.6 -2.0 -6.8 104 56 B A H X S+ 0 0 47 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.907 111.5 47.8 -61.5 -39.4 -23.3 -4.1 -3.6 105 57 B R H X S+ 0 0 134 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 111.8 50.6 -66.0 -40.4 -24.1 -1.0 -1.5 106 58 B F H X S+ 0 0 0 -4,-2.6 4,-2.7 72,-0.2 -2,-0.2 0.905 109.4 49.9 -62.4 -47.8 -27.0 -0.1 -3.7 107 59 B V H X S+ 0 0 67 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.909 111.4 49.0 -58.7 -43.2 -28.5 -3.7 -3.4 108 60 B A H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.911 114.1 46.0 -63.7 -41.3 -28.1 -3.6 0.4 109 61 B A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.883 111.1 52.0 -69.7 -40.4 -29.8 -0.2 0.6 110 62 B A H X S+ 0 0 9 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.834 108.1 51.8 -61.5 -41.1 -32.6 -1.3 -1.8 111 63 B A H X S+ 0 0 52 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.901 109.8 50.0 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4,-2.1 1,-0.2 -1,-0.2 0.935 115.5 44.4 -58.5 -48.1 6.6 17.5 -42.5 224 57 D Q H X S+ 0 0 100 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.854 112.7 52.1 -67.5 -36.7 6.2 13.7 -42.2 225 58 D W H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.941 111.1 45.6 -64.3 -48.5 8.2 13.5 -39.0 226 59 D N H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.891 114.5 49.0 -66.0 -36.4 6.1 16.1 -37.2 227 60 D Q H X S+ 0 0 91 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.902 111.2 49.5 -67.7 -43.0 2.9 14.4 -38.5 228 61 D A H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 112.2 48.3 -59.4 -44.7 4.1 11.0 -37.3 229 62 D L H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.879 110.7 50.6 -64.8 -40.9 5.0 12.3 -33.9 230 63 D E H X S+ 0 0 90 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.956 113.2 45.5 -60.7 -50.4 1.7 14.1 -33.5 231 64 D D H X S+ 0 0 55 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.875 114.0 50.1 -59.7 -41.3 -0.1 10.9 -34.4 232 65 D L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 113.6 43.2 -63.1 -53.5 2.1 8.9 -32.1 233 66 D V H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.891 113.4 51.6 -63.2 -41.2 1.6 11.2 -29.1 234 67 D R H X S+ 0 0 163 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.910 110.7 48.7 -64.7 -40.9 -2.1 11.6 -29.6 235 68 D A H X S+ 0 0 3 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.889 110.4 51.7 -62.5 -40.3 -2.6 7.8 -29.8 236 69 D Y H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 109.3 49.3 -62.3 -45.8 -0.5 7.3 -26.6 237 70 D Q H X S+ 0 0 92 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.846 112.0 49.2 -62.6 -35.8 -2.7 9.8 -24.7 238 71 D S H < S+ 0 0 70 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.917 111.9 48.8 -69.2 -44.0 -5.8 8.1 -25.9 239 72 D M H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 120.7 34.6 -57.9 -45.4 -4.5 4.6 -24.8 240 73 D S H < 0 0 22 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.564 360.0 360.0 -96.6 -9.0 -3.4 5.8 -21.4 241 74 D G < 0 0 94 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.178 360.0 360.0 160.1 360.0 -6.2 8.3 -20.5