==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION INHIBITOR 16-DEC-10 3Q0U . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ETHR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.FLIPO,M.DESROSES,B.DIRIE,X.CARETTE,Z.LENS,P.RUCKTOOA,F.LER . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 79.9 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 1 0 1 0 0 0 0 0 0 3 0 0 0 1 0 0 0 1 0 1 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 22 A G > 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -96.9 -2.2 78.8 10.7 2 23 A D H > + 0 0 121 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.887 360.0 44.3 -62.2 -39.8 0.9 76.5 10.5 3 24 A D H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.817 111.5 52.9 -75.9 -33.4 0.5 76.5 6.7 4 25 A R H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.892 111.0 47.8 -65.2 -41.2 -0.1 80.3 6.7 5 26 A E H X S+ 0 0 68 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.910 111.6 49.3 -65.3 -44.2 3.1 80.8 8.7 6 27 A L H X S+ 0 0 66 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.862 108.6 53.7 -62.3 -37.8 5.1 78.4 6.4 7 28 A A H X S+ 0 0 34 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.865 108.4 49.9 -65.3 -36.9 3.7 80.3 3.3 8 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.944 112.8 46.8 -64.1 -47.3 5.0 83.6 4.8 9 30 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.934 113.5 47.6 -61.7 -46.5 8.5 82.0 5.4 10 31 A A H X S+ 0 0 49 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.894 112.3 50.2 -61.9 -41.9 8.6 80.5 1.9 11 32 A T H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.931 110.5 49.6 -60.5 -46.4 7.6 83.8 0.4 12 33 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.917 111.1 48.8 -59.6 -44.5 10.2 85.7 2.4 13 34 A E H X S+ 0 0 38 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.928 112.6 49.1 -65.2 -42.7 13.0 83.2 1.3 14 35 A N H >X S+ 0 0 109 -4,-2.5 3,-0.8 1,-0.2 4,-0.5 0.912 112.2 46.3 -58.6 -49.2 11.9 83.5 -2.4 15 36 A L H >X S+ 0 0 41 -4,-2.7 4,-1.7 1,-0.2 3,-1.1 0.835 103.5 63.8 -67.2 -30.5 11.8 87.3 -2.4 16 37 A L H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.752 91.6 66.2 -66.2 -24.1 15.2 87.5 -0.6 17 38 A E H << S+ 0 0 110 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.844 112.3 32.7 -59.0 -35.2 16.8 85.8 -3.7 18 39 A D H << S+ 0 0 149 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.722 126.1 10.6 -99.8 -27.3 15.9 88.9 -5.8 19 40 A R S < S- 0 0 73 -4,-1.7 -1,-0.2 2,-0.0 5,-0.0 -0.977 78.3 -85.9-151.5 161.5 16.2 91.9 -3.4 20 41 A P > - 0 0 61 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.271 44.0-110.8 -61.0 153.3 17.4 93.1 0.1 21 42 A L G > S+ 0 0 26 1,-0.3 3,-1.8 2,-0.2 26,-0.0 0.867 120.6 61.5 -54.2 -38.4 15.0 92.7 3.1 22 43 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.772 101.8 52.3 -56.8 -29.4 14.7 96.6 3.0 23 44 A D G < S+ 0 0 98 -3,-1.5 2,-0.5 2,-0.1 -1,-0.3 0.373 96.5 82.9 -88.5 0.9 13.3 96.3 -0.5 24 45 A I < - 0 0 1 -3,-1.8 2,-0.2 -4,-0.3 23,-0.1 -0.932 68.7-153.6-109.4 125.5 10.6 93.8 0.6 25 46 A S > - 0 0 47 -2,-0.5 4,-1.8 1,-0.1 3,-0.2 -0.619 29.3-117.6 -94.8 157.9 7.4 95.1 2.2 26 47 A V H > S+ 0 0 14 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.856 120.3 60.5 -54.8 -33.8 5.1 93.4 4.7 27 48 A D H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 101.1 50.2 -59.7 -45.7 2.7 93.8 1.8 28 49 A D H > S+ 0 0 53 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 112.1 48.5 -57.9 -43.6 4.8 91.7 -0.5 29 50 A L H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.916 113.3 45.4 -66.2 -46.4 5.0 89.0 2.2 30 51 A A H X>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 4,-0.7 0.938 114.0 49.3 -61.2 -50.0 1.3 88.9 2.9 31 52 A K H ><5S+ 0 0 171 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.933 111.7 48.6 -57.2 -49.1 0.5 88.9 -0.9 32 53 A G H 3<5S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 113.0 48.2 -57.9 -35.5 2.9 86.1 -1.5 33 54 A A H 3<5S- 0 0 16 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.483 113.7-118.7 -86.3 -5.6 1.4 84.1 1.4 34 55 A G T <<5S+ 0 0 66 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.836 76.7 110.3 72.4 32.7 -2.2 84.7 0.2 35 56 A I S - 0 0 57 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.433 34.2-110.7 -81.6 162.9 -4.0 90.2 4.3 37 58 A R H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.936 119.4 50.1 -56.7 -49.7 -1.5 92.6 5.9 38 59 A P H > S+ 0 0 99 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.890 108.7 53.0 -60.7 -35.6 -3.3 92.5 9.3 39 60 A T H >> S+ 0 0 34 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.891 102.8 58.4 -63.3 -37.8 -3.3 88.7 9.2 40 61 A F H >X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-1.0 0.911 100.1 58.1 -53.4 -43.3 0.5 88.7 8.6 41 62 A Y H 3< S+ 0 0 86 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.695 96.2 62.5 -68.7 -17.4 0.8 90.7 11.9 42 63 A F H << S+ 0 0 169 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.877 113.6 33.9 -68.2 -38.1 -0.8 87.8 13.8 43 64 A Y H << S+ 0 0 48 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.1 0.814 131.4 18.2 -86.8 -35.6 2.0 85.5 12.8 44 65 A F < - 0 0 8 -4,-2.4 -1,-0.3 1,-0.1 3,-0.1 -1.000 56.2-145.9-141.8 137.4 5.0 88.0 12.8 45 66 A P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.724 85.2 -9.9 -69.1 -23.1 5.5 91.5 14.4 46 67 A S S > S- 0 0 34 -6,-0.1 4,-1.0 1,-0.1 3,-0.0 -0.965 70.5 -99.9-163.2 167.1 7.8 92.6 11.5 47 68 A K H > S+ 0 0 35 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.822 121.5 62.6 -66.8 -31.2 9.6 91.4 8.4 48 69 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 100.2 52.5 -58.1 -40.8 12.7 91.4 10.6 49 70 A A H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.843 105.8 54.7 -62.7 -35.0 11.1 88.7 12.7 50 71 A V H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.930 108.6 47.7 -63.9 -46.5 10.4 86.7 9.6 51 72 A L H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.905 108.8 54.5 -60.8 -45.6 14.2 86.8 8.7 52 73 A L H X S+ 0 0 49 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.913 109.8 46.8 -53.0 -45.2 15.1 85.8 12.2 53 74 A T H X S+ 0 0 41 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.904 112.0 50.6 -65.7 -40.4 12.8 82.7 12.0 54 75 A L H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 112.9 46.0 -61.7 -47.2 14.3 81.8 8.5 55 76 A L H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.906 110.9 52.9 -62.3 -43.9 17.8 82.1 9.9 56 77 A D H X S+ 0 0 66 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.903 109.0 49.9 -58.0 -43.8 16.9 80.1 13.0 57 78 A R H X S+ 0 0 123 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.939 113.8 44.5 -60.6 -45.8 15.5 77.3 10.8 58 79 A V H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.896 113.6 48.9 -69.0 -43.4 18.7 77.1 8.6 59 80 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.926 113.2 47.4 -65.1 -43.3 21.1 77.3 11.5 60 81 A N H X S+ 0 0 47 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.868 109.1 54.8 -63.5 -35.1 19.3 74.5 13.4 61 82 A Q H X S+ 0 0 87 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.942 111.5 44.4 -64.1 -45.5 19.2 72.4 10.2 62 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 114.1 49.6 -61.3 -46.7 23.0 72.8 9.9 63 84 A D H X S+ 0 0 13 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.900 110.6 49.7 -60.1 -43.3 23.4 72.0 13.6 64 85 A M H X S+ 0 0 104 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.870 109.2 51.8 -65.5 -38.3 21.2 68.9 13.4 65 86 A A H X S+ 0 0 36 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 109.3 50.4 -65.4 -40.7 23.1 67.6 10.4 66 87 A L H X S+ 0 0 23 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 109.0 52.1 -61.7 -42.5 26.3 68.0 12.3 67 88 A Q H X S+ 0 0 94 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.908 109.3 49.6 -57.0 -44.4 24.8 66.1 15.3 68 89 A T H X S+ 0 0 81 -4,-2.2 4,-1.2 1,-0.2 3,-0.5 0.911 111.9 47.5 -63.6 -47.3 23.8 63.2 12.9 69 90 A L H < S+ 0 0 56 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.916 110.7 53.1 -55.2 -46.4 27.3 63.1 11.5 70 91 A A H < S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.689 102.1 59.1 -65.6 -24.4 28.8 63.1 15.0 71 92 A E H < S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.854 92.4 78.4 -75.9 -37.5 26.6 60.2 16.2 72 93 A N < - 0 0 75 -4,-1.2 0, 0.0 -3,-0.4 0, 0.0 -0.255 69.3-149.2 -65.1 155.9 28.0 57.8 13.5 73 94 A P - 0 0 136 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.982 31.3-178.2 -54.3 -66.5 31.5 56.2 14.1 74 95 A A - 0 0 51 1,-0.1 -2,-0.1 7,-0.0 -3,-0.0 -0.119 32.1-120.0-138.7 89.6 32.1 56.0 11.1 75 96 A D + 0 0 160 1,-0.1 2,-0.3 6,-0.0 -1,-0.1 0.691 58.6 129.6 8.3 99.7 35.3 54.5 9.6 76 97 A T - 0 0 70 -3,-0.1 2,-0.1 0, 0.0 -1,-0.1 -0.975 59.7 -96.4-157.4 156.6 37.1 57.3 7.6 77 98 A D > - 0 0 100 -2,-0.3 4,-2.1 1,-0.1 3,-0.0 -0.495 44.7-107.6 -75.1 158.6 40.6 58.9 7.3 78 99 A R H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.856 118.4 52.0 -58.0 -39.2 41.1 62.1 9.3 79 100 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 111.2 47.5 -65.3 -43.8 41.0 64.4 6.2 80 101 A N H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.847 106.7 58.0 -65.2 -34.5 37.7 62.9 5.1 81 102 A M H X S+ 0 0 61 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.963 112.0 40.0 -56.9 -53.7 36.3 63.2 8.6 82 103 A W H X S+ 0 0 18 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.871 113.2 55.7 -65.7 -38.0 36.8 67.0 8.6 83 104 A R H X S+ 0 0 54 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.934 106.8 49.0 -60.4 -46.0 35.7 67.3 4.9 84 105 A T H X S+ 0 0 53 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.907 113.2 49.0 -61.1 -37.4 32.4 65.6 5.7 85 106 A G H X S+ 0 0 14 -4,-1.7 4,-0.9 2,-0.2 3,-0.5 0.940 112.6 44.4 -67.3 -49.9 31.9 68.0 8.7 86 107 A I H >X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 3,-0.7 0.907 108.1 62.1 -62.0 -37.6 32.7 71.2 6.8 87 108 A N H 3X S+ 0 0 54 -4,-2.7 4,-3.1 -5,-0.3 5,-0.4 0.833 92.1 64.0 -57.6 -36.1 30.5 69.9 3.9 88 109 A V H 3X S+ 0 0 17 -4,-1.3 4,-2.4 -3,-0.5 -1,-0.2 0.928 110.9 38.0 -50.9 -46.9 27.4 69.9 6.2 89 110 A F H S+ 0 0 27 -4,-0.9 4,-2.3 -3,-0.7 5,-0.6 0.890 113.9 54.1 -76.5 -40.5 27.8 73.7 6.4 90 111 A F H X5S+ 0 0 29 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.941 117.4 38.0 -56.7 -47.2 28.8 74.2 2.8 91 112 A E H X5S+ 0 0 97 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.919 118.1 47.5 -74.3 -43.7 25.7 72.3 1.6 92 113 A T H <5S+ 0 0 12 -4,-2.4 3,-0.3 -5,-0.4 4,-0.2 0.970 122.6 32.4 -65.4 -52.9 23.2 73.6 4.3 93 114 A F H ><5S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 7,-0.3 0.870 117.0 57.3 -71.7 -33.8 24.1 77.3 4.0 94 115 A G H >< + 0 0 37 -3,-1.3 4,-2.8 -4,-0.2 -1,-0.2 -0.371 69.6 148.9-134.9 55.0 20.0 78.8 1.4 97 118 A K H <> S+ 0 0 69 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.853 71.4 52.0 -60.2 -39.7 22.2 81.6 0.1 98 119 A A H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.938 114.1 42.5 -66.1 -46.0 19.6 84.3 0.3 99 120 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.910 114.8 52.2 -64.7 -43.8 18.8 83.6 3.9 100 121 A T H X S+ 0 0 6 -4,-2.8 4,-2.3 -7,-0.3 -2,-0.2 0.939 113.0 44.2 -55.3 -50.8 22.5 83.2 4.7 101 122 A R H X S+ 0 0 101 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.929 117.5 43.4 -61.1 -50.4 23.3 86.6 3.1 102 123 A A H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.902 113.0 52.6 -67.7 -40.9 20.4 88.5 4.7 103 124 A G H X S+ 0 0 0 -4,-2.9 4,-0.8 -5,-0.2 -1,-0.2 0.896 108.8 49.7 -60.5 -44.0 20.9 86.8 8.1 104 125 A Q H >< S+ 0 0 38 -4,-2.3 3,-0.9 -5,-0.2 4,-0.3 0.932 111.2 49.1 -61.9 -42.8 24.6 87.9 8.1 105 126 A A H >< S+ 0 0 62 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.895 104.9 59.1 -62.3 -40.1 23.7 91.5 7.2 106 127 A A H >X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.3 3,-1.1 0.691 84.3 80.8 -65.8 -17.8 21.1 91.6 10.0 107 128 A R T << S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.817 90.9 53.7 -56.2 -28.9 23.8 90.8 12.6 108 129 A A T <4 S+ 0 0 92 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.760 121.8 25.5 -75.3 -26.7 24.6 94.5 12.5 109 130 A T T <4 S+ 0 0 128 -3,-1.1 2,-0.5 -4,-0.3 -2,-0.2 0.524 112.2 65.6-120.6 -14.7 21.1 95.8 13.2 110 131 A S X - 0 0 23 -4,-2.8 4,-2.5 1,-0.1 5,-0.2 -0.950 52.0-165.9-119.8 116.8 19.4 93.0 15.1 111 132 A V H > S+ 0 0 100 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.874 95.2 54.9 -63.1 -35.2 20.5 92.0 18.6 112 133 A E H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 110.6 43.5 -63.3 -45.8 18.4 88.8 18.2 113 134 A V H > S+ 0 0 3 -7,-0.2 4,-2.7 2,-0.2 5,-0.2 0.922 114.5 51.0 -65.2 -45.6 20.1 87.8 15.0 114 135 A A H X S+ 0 0 35 -4,-2.5 4,-2.6 -8,-0.3 -2,-0.2 0.925 112.5 46.2 -55.1 -47.9 23.5 88.7 16.5 115 136 A E H X S+ 0 0 133 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.880 111.2 52.5 -61.5 -42.2 22.8 86.6 19.6 116 137 A L H X S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.945 112.3 44.4 -61.1 -49.6 21.5 83.7 17.4 117 138 A W H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.936 113.9 50.4 -60.9 -47.6 24.7 83.6 15.3 118 139 A S H X S+ 0 0 57 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.913 108.0 53.5 -55.9 -45.7 26.9 84.0 18.4 119 140 A T H X S+ 0 0 61 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.921 113.0 41.9 -56.9 -48.1 25.2 81.1 20.2 120 141 A F H X S+ 0 0 14 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.899 111.4 54.5 -75.6 -35.7 25.7 78.7 17.3 121 142 A M H X S+ 0 0 17 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.929 108.6 50.0 -58.2 -45.4 29.3 79.7 16.6 122 143 A Q H X S+ 0 0 118 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.914 112.2 48.5 -58.6 -42.3 30.1 79.1 20.3 123 144 A K H X S+ 0 0 83 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.929 113.7 45.1 -61.2 -46.5 28.5 75.6 20.0 124 145 A W H X S+ 0 0 10 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.869 113.6 50.1 -70.1 -36.0 30.3 74.8 16.7 125 146 A I H X S+ 0 0 15 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.917 110.4 50.3 -64.1 -45.5 33.6 76.0 18.1 126 147 A A H X S+ 0 0 49 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.923 111.9 47.3 -60.8 -41.9 33.2 73.9 21.3 127 148 A Y H X S+ 0 0 98 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.932 111.7 50.5 -66.8 -43.5 32.4 70.8 19.2 128 149 A T H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.930 111.4 48.2 -55.0 -48.5 35.4 71.4 17.0 129 150 A A H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.880 109.3 53.8 -62.7 -39.8 37.7 71.9 20.0 130 151 A A H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.885 110.5 46.4 -61.3 -39.8 36.3 68.7 21.6 131 152 A V H X S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.934 112.1 49.8 -71.7 -44.4 37.1 66.7 18.4 132 153 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.935 111.7 50.2 -54.3 -47.4 40.6 68.2 18.2 133 154 A D H X S+ 0 0 68 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.891 109.8 49.8 -58.1 -44.7 41.1 67.3 21.9 134 155 A A H X S+ 0 0 49 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.889 109.8 51.3 -59.2 -43.7 39.9 63.7 21.2 135 156 A E H <>S+ 0 0 12 -4,-2.5 5,-1.8 2,-0.2 6,-1.4 0.853 111.5 47.7 -62.4 -37.7 42.4 63.5 18.3 136 157 A R H ><5S+ 0 0 18 -4,-2.1 3,-1.4 4,-0.2 -2,-0.2 0.907 109.4 52.4 -68.8 -42.7 45.2 64.7 20.6 137 158 A D H 3<5S+ 0 0 119 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.852 107.8 53.7 -62.1 -36.2 44.2 62.2 23.3 138 159 A R T 3<5S- 0 0 164 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.580 114.9-117.1 -67.1 -17.6 44.3 59.4 20.6 139 160 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.493 88.6 112.9 82.6 7.1 47.9 60.5 19.6 140 161 A A S - 0 0 69 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.374 45.6-130.7 -47.2 124.9 45.2 75.7 22.7 147 168 A A H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.848 103.7 51.1 -55.9 -39.8 42.5 73.6 20.9 148 169 A H H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 111.9 46.5 -69.2 -38.0 39.7 76.1 21.7 149 170 A E H > S+ 0 0 128 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 113.9 48.1 -67.6 -45.1 41.7 79.1 20.2 150 171 A L H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.942 112.8 50.0 -59.0 -49.6 42.7 77.0 17.1 151 172 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.864 108.0 53.1 -57.3 -40.0 39.0 76.0 16.8 152 173 A T H X S+ 0 0 43 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.958 110.7 45.1 -62.5 -49.5 37.8 79.7 17.0 153 174 A A H X S+ 0 0 62 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 114.1 50.0 -61.5 -42.8 40.2 80.9 14.2 154 175 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.902 112.4 46.5 -66.0 -40.5 39.2 78.0 12.0 155 176 A N H X S+ 0 0 17 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.890 111.9 50.3 -68.2 -38.8 35.5 78.5 12.5 156 177 A L H X S+ 0 0 88 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.888 108.7 53.4 -64.6 -37.5 35.8 82.3 11.9 157 178 A M H X S+ 0 0 43 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.941 109.3 49.0 -58.3 -46.0 37.8 81.5 8.7 158 179 A N H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 5,-0.5 0.912 110.0 51.2 -60.4 -46.3 34.9 79.3 7.6 159 180 A E H X S+ 0 0 32 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.969 118.1 36.6 -53.6 -54.7 32.3 82.0 8.3 160 181 A R H X S+ 0 0 133 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 122.4 44.3 -69.3 -41.0 34.1 84.7 6.3 161 182 A T H X S+ 0 0 33 -4,-3.2 4,-2.1 -5,-0.3 12,-0.3 0.926 115.0 44.3 -75.9 -48.1 35.4 82.4 3.5 162 183 A L H X S+ 0 0 5 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.943 117.6 45.9 -59.9 -47.7 32.2 80.4 2.9 163 184 A F H X S+ 0 0 21 -4,-1.9 4,-2.1 -5,-0.5 -2,-0.2 0.867 111.0 50.7 -70.9 -35.8 30.0 83.4 3.0 164 185 A A H X>S+ 0 0 7 -4,-2.2 5,-2.5 -5,-0.2 4,-0.7 0.904 112.9 49.3 -62.4 -40.9 32.3 85.6 0.7 165 186 A S H ><5S+ 0 0 6 -4,-2.1 3,-0.8 1,-0.2 10,-0.3 0.922 110.8 47.9 -64.7 -46.4 32.3 82.6 -1.7 166 187 A F H 3<5S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.9 47.6 -63.1 -37.2 28.5 82.3 -1.7 167 188 A A H 3<5S- 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.559 107.5-125.7 -79.6 -8.2 28.0 86.1 -2.2 168 189 A G T <<5 - 0 0 56 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.839 45.8-178.7 62.9 34.7 30.6 86.2 -5.0 169 190 A E < - 0 0 67 -5,-2.5 -1,-0.1 -6,-0.2 -5,-0.0 -0.182 33.3 -96.4 -62.9 156.2 32.5 88.9 -3.2 170 191 A Q S S+ 0 0 187 1,-0.2 2,-0.1 0, 0.0 -1,-0.1 -0.964 116.1 30.8-111.0 112.2 35.6 90.4 -4.6 171 192 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.549 93.3 130.1 -82.4 153.2 37.9 88.9 -3.2 172 193 A S - 0 0 47 -4,-0.1 -11,-0.1 -2,-0.1 -10,-0.1 -0.977 58.7-106.2-159.7 155.4 36.6 85.3 -2.7 173 194 A V - 0 0 39 -12,-0.3 -5,-0.1 -2,-0.3 5,-0.1 -0.703 53.5 -98.7 -75.1 134.8 37.5 81.7 -3.3 174 195 A P >> - 0 0 83 0, 0.0 3,-2.8 0, 0.0 4,-1.2 -0.302 29.4-121.6 -52.9 136.7 35.4 80.3 -6.1 175 196 A E H >> S+ 0 0 74 -10,-0.3 4,-0.6 1,-0.3 3,-0.5 0.861 113.4 57.6 -49.9 -39.9 32.5 78.3 -4.7 176 197 A A H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.529 114.8 37.0 -70.1 -4.4 33.8 75.2 -6.6 177 198 A R H <> S+ 0 0 124 -3,-2.8 4,-1.9 2,-0.1 -1,-0.2 0.455 92.4 88.0-118.8 -10.0 37.1 75.5 -4.8 178 199 A V H S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 113.7 53.7 -60.4 -37.0 39.0 71.8 -0.8 181 202 A T H X S+ 0 0 42 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.950 112.5 41.5 -64.3 -50.8 40.6 75.1 0.3 182 203 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.918 112.8 54.6 -67.6 -40.4 39.1 75.0 3.8 183 204 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 5,-0.2 0.924 106.8 50.5 -59.7 -45.3 39.7 71.3 4.3 184 205 A H H X S+ 0 0 119 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.937 112.2 47.4 -56.2 -45.8 43.5 71.7 3.5 185 206 A I H X S+ 0 0 62 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.894 114.5 46.6 -67.1 -40.7 43.8 74.6 6.0 186 207 A W H X S+ 0 0 7 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.961 115.1 45.6 -63.1 -52.3 41.9 72.6 8.7 187 208 A V H X S+ 0 0 17 -4,-3.0 4,-2.5 -5,-0.2 5,-0.3 0.932 115.4 44.4 -61.8 -46.1 43.9 69.4 8.2 188 209 A T H X S+ 0 0 67 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.897 117.0 46.4 -67.0 -37.8 47.3 71.0 8.0 189 210 A S H < S+ 0 0 38 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.838 117.1 42.3 -76.1 -31.9 46.7 73.3 11.1 190 211 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.855 128.8 27.2 -80.1 -36.7 45.2 70.5 13.2 191 212 A Y H < S+ 0 0 18 -4,-2.5 2,-0.2 -5,-0.3 -2,-0.2 0.619 93.5 107.8-104.6 -13.6 47.7 67.8 12.3 192 213 A G < - 0 0 23 -4,-1.9 -48,-0.1 -5,-0.3 -4,-0.0 -0.458 50.4-162.0 -73.2 128.6 50.8 69.8 11.5 193 214 A E 0 0 143 1,-0.2 -1,-0.2 -2,-0.2 -4,-0.0 0.821 360.0 360.0 -73.4 -35.7 53.6 69.7 14.0 194 215 A N 0 0 209 -6,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 -0.848 360.0 360.0-167.0 360.0 54.7 72.8 12.1