==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 16-DEC-05 2CA5 . COMPND 2 MOLECULE: MXIH; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR J.E.DEANE,P.ROVERSI,F.S.CORDES,S.JOHNSON,R.KENJALE, . 123 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 82.9 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 77.2 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 0 0 0 1 0 1 0 0 0 0 0 1 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 20 A D 0 0 206 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 65.0 42.3 20.8 0.5 2 21 A D > - 0 0 77 1,-0.1 4,-1.7 2,-0.0 5,-0.1 -0.413 360.0-141.8 -68.7 134.2 44.7 19.8 -2.3 3 22 A G H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 97.3 44.5 -62.2 -54.0 45.4 22.3 -5.1 4 23 A T H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.825 113.2 53.2 -65.3 -28.9 45.6 20.1 -8.1 5 24 A Q H > S+ 0 0 135 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.868 110.4 47.9 -71.5 -36.2 42.5 18.2 -7.0 6 25 A T H X S+ 0 0 65 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.909 109.7 51.4 -68.5 -45.2 40.6 21.5 -6.7 7 26 A L H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.870 109.0 52.2 -61.3 -35.9 41.8 22.7 -10.1 8 27 A Q H X S+ 0 0 128 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.834 107.2 52.1 -69.7 -31.6 40.5 19.4 -11.6 9 28 A G H X S+ 0 0 36 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.914 110.3 48.2 -68.2 -43.2 37.1 19.9 -9.9 10 29 A E H X S+ 0 0 82 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.886 111.3 51.3 -64.1 -38.1 36.9 23.4 -11.5 11 30 A L H X S+ 0 0 27 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 108.4 51.7 -65.0 -42.4 37.9 21.9 -14.8 12 31 A T H X S+ 0 0 80 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.893 110.2 47.9 -61.7 -41.5 35.2 19.2 -14.5 13 32 A L H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.865 110.9 51.5 -69.5 -34.2 32.5 21.9 -13.8 14 33 A A H X S+ 0 0 17 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.902 110.5 48.9 -68.2 -37.9 33.7 23.9 -16.8 15 34 A L H X S+ 0 0 85 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 108.4 55.2 -66.0 -40.4 33.4 20.8 -18.9 16 35 A D H X S+ 0 0 67 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.897 107.7 47.6 -59.6 -43.9 30.0 20.2 -17.6 17 36 A K H X S+ 0 0 97 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.923 114.7 46.2 -64.6 -43.1 28.7 23.7 -18.6 18 37 A L H < S+ 0 0 25 -4,-1.9 -2,-0.2 9,-0.2 -1,-0.2 0.878 108.2 57.1 -64.7 -42.1 30.2 23.3 -22.0 19 38 A A H < S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.4 45.4 -61.0 -33.4 28.8 19.8 -22.4 20 39 A K H < S+ 0 0 140 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.746 129.6 22.4 -82.3 -25.8 25.2 21.1 -21.8 21 40 A N >< + 0 0 97 -4,-1.3 3,-1.9 -3,-0.1 -1,-0.2 -0.466 67.4 164.7-141.4 67.1 25.5 24.1 -24.1 22 41 A P T 3 S+ 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.551 71.2 65.0 -66.5 -8.0 28.3 23.4 -26.7 23 42 A S T 3 S+ 0 0 115 -5,-0.0 3,-0.1 4,-0.0 -5,-0.1 0.530 77.0 98.0 -91.6 -2.5 27.2 26.2 -29.0 24 43 A N <> - 0 0 65 -3,-1.9 4,-1.2 -6,-0.2 3,-0.4 -0.742 59.5-163.6 -85.2 109.4 28.1 28.9 -26.4 25 44 A P H > S+ 0 0 101 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.754 85.3 62.1 -66.9 -23.2 31.6 30.1 -27.4 26 45 A Q H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.903 102.2 50.2 -69.8 -37.4 32.1 31.7 -24.0 27 46 A L H > S+ 0 0 24 -3,-0.4 4,-1.9 2,-0.2 -9,-0.2 0.839 109.7 51.9 -68.4 -32.1 31.8 28.3 -22.2 28 47 A L H X S+ 0 0 79 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.947 110.2 48.0 -66.8 -47.6 34.4 26.9 -24.7 29 48 A A H X S+ 0 0 40 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.873 110.9 51.7 -60.8 -39.0 36.8 29.8 -23.9 30 49 A E H X S+ 0 0 87 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.885 110.5 47.5 -66.5 -38.9 36.3 29.2 -20.2 31 50 A Y H X S+ 0 0 50 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.937 112.6 49.5 -67.3 -43.3 37.1 25.5 -20.5 32 51 A Q H X S+ 0 0 106 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 111.4 49.7 -59.2 -45.6 40.1 26.2 -22.6 33 52 A S H X S+ 0 0 73 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.920 111.6 47.9 -63.0 -41.5 41.3 28.8 -20.1 34 53 A K H X S+ 0 0 41 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.909 111.3 50.4 -66.2 -39.6 40.8 26.4 -17.2 35 54 A L H X S+ 0 0 74 -4,-2.7 4,-1.6 2,-0.2 3,-0.3 0.926 111.2 48.6 -65.2 -41.2 42.7 23.6 -19.0 36 55 A S H X S+ 0 0 62 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.918 105.9 58.3 -63.3 -41.9 45.6 26.0 -19.7 37 56 A E H X S+ 0 0 81 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.847 103.6 52.6 -55.2 -36.2 45.6 27.0 -16.1 38 57 A Y H X S+ 0 0 87 -4,-1.5 4,-1.2 -3,-0.3 -1,-0.2 0.904 111.2 46.0 -67.9 -40.5 46.2 23.4 -15.1 39 58 A T H X S+ 0 0 61 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.876 108.6 55.1 -70.2 -37.1 49.1 23.2 -17.5 40 59 A L H X S+ 0 0 116 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.871 102.7 59.1 -61.8 -35.3 50.6 26.5 -16.2 41 60 A Y H X S+ 0 0 85 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.907 107.9 43.9 -59.5 -42.9 50.4 24.9 -12.7 42 61 A R H X S+ 0 0 98 -4,-1.2 4,-1.4 1,-0.2 3,-0.2 0.873 111.0 54.0 -71.5 -37.1 52.7 22.1 -13.8 43 62 A N H X S+ 0 0 88 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.857 104.4 57.1 -64.7 -33.1 55.0 24.5 -15.7 44 63 A A H X S+ 0 0 41 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.847 102.3 54.8 -65.9 -34.5 55.3 26.5 -12.5 45 64 A Q H X S+ 0 0 97 -4,-1.1 4,-1.0 -3,-0.2 -1,-0.2 0.891 111.8 42.0 -67.2 -40.7 56.6 23.4 -10.6 46 65 A S H X S+ 0 0 56 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.773 107.6 64.0 -76.4 -25.1 59.5 22.9 -13.0 47 66 A N H X S+ 0 0 39 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.858 97.3 55.4 -66.1 -34.9 60.1 26.6 -13.1 48 67 A T H X S+ 0 0 92 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.929 108.8 47.1 -64.6 -42.5 61.0 26.5 -9.4 49 68 A V H X S+ 0 0 86 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.907 109.5 54.2 -65.0 -41.4 63.7 23.9 -10.1 50 69 A K H X S+ 0 0 80 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.907 107.6 50.8 -60.2 -40.8 64.9 25.9 -13.0 51 70 A V H X S+ 0 0 87 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.936 108.5 51.6 -61.3 -45.8 65.3 28.9 -10.7 52 71 A I H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.898 107.9 51.8 -58.8 -40.6 67.3 26.8 -8.2 53 72 A K H X S+ 0 0 144 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 110.6 49.1 -62.9 -39.1 69.6 25.6 -11.0 54 73 A D H X S+ 0 0 111 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 108.7 52.6 -66.3 -40.9 70.2 29.3 -11.9 55 74 A V H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.914 110.5 48.3 -59.9 -44.3 70.9 30.2 -8.3 56 75 A D H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.919 108.6 53.7 -63.2 -42.7 73.5 27.4 -8.1 57 76 A A H X S+ 0 0 52 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.911 109.9 47.9 -58.3 -42.2 75.1 28.6 -11.4 58 77 A A H < S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.3 55.1 -66.0 -37.6 75.4 32.1 -9.9 59 78 A I H >< S+ 0 0 102 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.885 108.4 48.9 -62.5 -39.8 76.9 30.6 -6.7 60 79 A L H 3< S+ 0 0 105 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.914 104.8 55.5 -68.1 -43.7 79.6 28.9 -8.7 61 80 A E T 3< 0 0 158 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.509 360.0 360.0 -67.9 0.8 80.5 32.0 -10.7 62 81 A H < 0 0 197 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.925 360.0 360.0 43.1 360.0 81.0 33.5 -7.2 63 !* 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 64 15 B L 0 0 216 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.4 90.4 10.4 -31.3 65 16 B S > + 0 0 90 1,-0.1 3,-1.6 2,-0.0 4,-0.1 -0.505 360.0 163.0-141.4 70.7 87.5 11.6 -29.2 66 17 B E T >> + 0 0 147 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.199 60.3 98.2 -73.5 20.8 84.4 12.4 -31.3 67 18 B T H 3> S+ 0 0 98 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.595 74.4 60.7 -81.1 -13.1 82.7 12.2 -28.0 68 19 B F H <> S+ 0 0 68 -3,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.503 99.1 59.1 -86.4 -6.7 83.0 15.9 -28.0 69 20 B D H <> S+ 0 0 70 -3,-0.5 4,-1.1 2,-0.2 -2,-0.2 0.750 102.2 50.2 -88.9 -30.5 80.9 15.5 -31.2 70 21 B D H X S+ 0 0 113 -4,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.856 109.4 52.8 -74.0 -36.3 78.1 13.8 -29.2 71 22 B G H X S+ 0 0 11 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.832 109.2 47.4 -68.9 -35.9 78.2 16.6 -26.6 72 23 B T H X S+ 0 0 6 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.778 108.8 54.9 -77.3 -27.2 77.7 19.3 -29.3 73 24 B Q H X S+ 0 0 143 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.896 111.0 44.3 -72.2 -40.1 74.9 17.5 -31.0 74 25 B T H X S+ 0 0 59 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.826 115.3 48.3 -72.2 -33.9 72.9 17.3 -27.7 75 26 B L H X S+ 0 0 16 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.887 110.7 51.2 -72.8 -39.5 73.7 20.9 -26.9 76 27 B Q H X S+ 0 0 96 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.825 109.5 51.2 -65.8 -31.6 72.6 21.9 -30.4 77 28 B G H X S+ 0 0 33 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.900 110.2 47.9 -71.8 -41.9 69.4 20.0 -30.0 78 29 B E H X S+ 0 0 79 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.884 111.5 51.5 -64.8 -38.4 68.6 21.7 -26.7 79 30 B L H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 108.9 51.1 -64.8 -42.0 69.4 25.1 -28.3 80 31 B T H X S+ 0 0 82 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.912 110.4 47.7 -61.5 -45.7 67.0 24.3 -31.2 81 32 B L H X S+ 0 0 120 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.878 111.4 51.5 -64.9 -36.7 64.2 23.4 -28.8 82 33 B A H X S+ 0 0 17 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.894 111.2 47.4 -66.3 -39.9 64.8 26.6 -26.8 83 34 B L H X S+ 0 0 84 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.909 108.2 56.0 -68.4 -40.0 64.7 28.7 -30.0 84 35 B D H X S+ 0 0 78 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.922 108.6 46.9 -57.3 -46.3 61.5 26.9 -31.1 85 36 B K H X S+ 0 0 92 -4,-2.0 4,-1.3 1,-0.2 3,-0.2 0.903 113.2 48.4 -63.5 -41.9 59.8 27.9 -27.9 86 37 B L H < S+ 0 0 25 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.898 106.9 57.4 -64.9 -39.8 61.0 31.5 -28.1 87 38 B A H < S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.9 44.4 -60.4 -33.2 59.9 31.7 -31.8 88 39 B K H < S+ 0 0 157 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.744 129.6 22.7 -85.3 -24.5 56.3 30.8 -30.7 89 40 B N >< + 0 0 71 -4,-1.3 3,-1.5 -3,-0.2 -1,-0.2 -0.553 67.9 164.1-142.4 68.3 56.0 33.1 -27.7 90 41 B P T 3 S+ 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.552 71.6 64.8 -68.1 -8.9 58.6 35.9 -28.2 91 42 B S T 3 S+ 0 0 111 -5,-0.1 -5,-0.1 4,-0.0 -2,-0.0 0.608 77.5 99.1 -86.8 -12.4 57.1 38.2 -25.6 92 43 B N <> - 0 0 48 -3,-1.5 4,-1.3 -6,-0.2 3,-0.4 -0.654 59.2-163.0 -78.9 108.7 57.9 35.6 -22.8 93 44 B P H > S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.720 85.9 60.1 -66.4 -22.6 61.1 36.9 -21.2 94 45 B Q H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.875 103.6 51.5 -72.3 -35.7 61.9 33.6 -19.5 95 46 B L H > S+ 0 0 18 -3,-0.4 4,-2.1 2,-0.2 -9,-0.2 0.869 110.8 49.1 -68.4 -33.8 62.1 31.9 -22.9 96 47 B L H X S+ 0 0 76 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.955 111.7 47.5 -68.7 -49.6 64.5 34.6 -24.1 97 48 B A H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.894 112.3 50.7 -58.5 -40.2 66.7 34.2 -21.0 98 49 B E H X S+ 0 0 54 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 111.1 47.5 -66.3 -39.7 66.7 30.5 -21.4 99 50 B Y H X S+ 0 0 50 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.944 111.9 50.6 -66.3 -44.8 67.7 30.8 -25.1 100 51 B Q H X S+ 0 0 103 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.917 112.1 47.3 -56.5 -47.3 70.5 33.3 -24.2 101 52 B S H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.905 113.0 47.6 -62.8 -43.4 71.8 30.9 -21.5 102 53 B K H X S+ 0 0 42 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.875 110.5 53.3 -66.4 -35.5 71.7 27.9 -23.8 103 54 B L H X S+ 0 0 66 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.905 109.4 47.7 -66.2 -40.9 73.4 29.9 -26.5 104 55 B S H X S+ 0 0 71 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.936 112.7 48.9 -63.7 -46.0 76.3 30.9 -24.2 105 56 B E H X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.918 114.1 46.2 -60.1 -43.5 76.7 27.3 -23.0 106 57 B Y H X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.878 110.2 53.2 -66.7 -40.2 76.7 26.1 -26.6 107 58 B T H X S+ 0 0 60 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.907 110.6 46.6 -63.5 -41.5 79.2 28.8 -27.8 108 59 B L H X S+ 0 0 124 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.965 114.9 46.0 -63.9 -52.9 81.7 27.9 -25.1 109 60 B Y H X S+ 0 0 67 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.898 114.7 47.6 -56.7 -45.6 81.4 24.2 -25.7 110 61 B R H X S+ 0 0 115 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.868 113.3 48.2 -66.4 -37.1 81.7 24.7 -29.5 111 62 B N H X S+ 0 0 83 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.928 109.4 53.2 -68.2 -43.8 84.7 27.0 -29.1 112 63 B A H X S+ 0 0 40 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.897 109.7 47.6 -57.6 -45.0 86.4 24.5 -26.7 113 64 B Q H X S+ 0 0 33 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.863 113.6 48.3 -67.7 -33.7 86.1 21.7 -29.2 114 65 B S H < S+ 0 0 34 -4,-1.6 5,-0.2 2,-0.2 -2,-0.2 0.946 110.6 49.3 -70.1 -48.6 87.4 23.9 -32.0 115 66 B N H X S+ 0 0 96 -4,-3.2 4,-0.6 1,-0.2 3,-0.4 0.854 114.3 49.1 -57.7 -35.8 90.3 25.2 -30.0 116 67 B T H >< S+ 0 0 66 -4,-1.8 3,-3.8 -5,-0.3 2,-3.1 1.000 103.9 57.5 -62.2 -64.6 91.0 21.5 -29.2 117 68 B V T 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 -0.304 105.9 49.3 -69.5 53.6 90.8 20.2 -32.8 118 69 B K T 3> S+ 0 0 123 -2,-3.1 4,-1.3 -3,-0.4 -1,-0.3 0.017 102.0 64.9-153.4 -31.2 93.5 22.5 -34.0 119 70 B V T << S+ 0 0 83 -3,-3.8 4,-0.2 -4,-0.6 -2,-0.2 0.386 102.1 47.5 -82.4 5.8 95.6 21.4 -31.1 120 71 B I T > S+ 0 0 95 -4,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.652 109.0 54.0-109.8 -37.3 95.7 17.9 -32.6 121 72 B K T 4 S+ 0 0 163 2,-0.2 -2,-0.2 1,-0.2 -4,-0.1 0.785 113.4 43.7 -67.2 -29.2 96.6 19.4 -36.0 122 73 B D T < S+ 0 0 130 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.859 112.5 51.0 -82.1 -40.0 99.5 21.1 -34.1 123 74 B V T 4 0 0 116 -4,-0.2 -2,-0.2 1,-0.2 -3,-0.1 0.913 360.0 360.0 -61.3 -42.5 100.3 17.9 -32.3 124 75 B D < 0 0 171 -4,-3.2 -2,-0.2 0, 0.0 -3,-0.2 0.975 360.0 360.0 -69.8 360.0 100.3 16.1 -35.6