==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION INHIBITOR 16-DEC-10 3Q0W . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ETHR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.FLIPO,M.DESROSE,B.DIRIE,X.CARETTE,F.LEROUX,Z.LENS,P.RUCKTO . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 81.9 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 67.9 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 59 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 102.6 -1.7 77.2 10.1 2 23 A D H > + 0 0 130 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.904 360.0 49.0 -58.5 -39.1 1.3 74.9 9.8 3 24 A D H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.822 107.3 52.2 -69.2 -37.2 0.9 75.5 6.1 4 25 A R H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.907 111.6 46.4 -70.8 -37.4 0.6 79.3 6.3 5 26 A E H X S+ 0 0 61 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.928 113.5 49.6 -65.9 -45.7 3.8 79.6 8.4 6 27 A L H X S+ 0 0 80 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.866 108.4 53.4 -60.3 -40.2 5.6 77.2 6.0 7 28 A A H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.889 108.4 50.4 -61.7 -38.5 4.4 79.2 3.0 8 29 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.952 111.8 46.4 -62.0 -49.5 5.8 82.3 4.6 9 30 A L H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.869 112.1 52.2 -61.8 -38.8 9.2 80.6 5.1 10 31 A A H X S+ 0 0 48 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.938 110.3 47.4 -63.6 -47.1 9.2 79.2 1.6 11 32 A T H X S+ 0 0 18 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.910 110.8 51.9 -56.6 -42.0 8.5 82.6 0.1 12 33 A A H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 110.8 47.0 -64.2 -41.8 11.3 84.2 2.2 13 34 A E H X S+ 0 0 40 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.902 114.3 49.0 -69.9 -37.0 13.8 81.6 1.1 14 35 A N H >X S+ 0 0 101 -4,-2.4 3,-1.0 -5,-0.2 4,-0.6 0.958 113.5 45.1 -66.1 -44.8 12.7 82.1 -2.5 15 36 A L H >X S+ 0 0 34 -4,-3.4 4,-1.8 1,-0.3 3,-1.1 0.864 103.3 63.1 -68.8 -29.9 12.9 85.8 -2.3 16 37 A L H 3< S+ 0 0 9 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.748 91.2 68.3 -69.1 -18.4 16.3 85.8 -0.6 17 38 A E H << S+ 0 0 92 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.864 110.6 34.6 -58.7 -36.2 17.7 84.2 -3.7 18 39 A D H << S+ 0 0 123 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.770 127.2 4.0 -98.5 -28.2 17.1 87.4 -5.5 19 40 A R S < S- 0 0 76 -4,-1.8 -1,-0.2 2,-0.0 2,-0.1 -0.954 76.7 -90.3-149.7 167.3 17.7 90.2 -3.1 20 41 A P > - 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.1 -0.257 44.9-102.9 -72.2 167.3 18.8 90.9 0.5 21 42 A L G > S+ 0 0 32 1,-0.3 3,-1.8 2,-0.2 26,-0.1 0.837 119.0 65.9 -64.9 -33.0 16.4 91.1 3.4 22 43 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.813 104.2 46.4 -59.8 -26.2 16.6 94.9 3.4 23 44 A D G < S+ 0 0 104 -3,-1.2 2,-0.5 2,-0.1 -1,-0.3 0.194 95.9 83.0-103.1 7.4 14.8 94.8 -0.1 24 45 A I < - 0 0 1 -3,-1.8 2,-0.3 -4,-0.1 23,-0.1 -0.967 68.9-156.2-108.5 128.1 12.1 92.3 0.8 25 46 A S > - 0 0 47 -2,-0.5 4,-1.8 1,-0.1 3,-0.5 -0.739 29.6-112.8-101.2 160.2 9.2 93.9 2.5 26 47 A V H > S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.904 121.1 58.1 -51.9 -38.7 6.6 92.3 4.9 27 48 A D H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 102.4 53.6 -61.9 -33.4 4.1 92.9 2.1 28 49 A D H > S+ 0 0 58 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.922 109.7 46.6 -63.5 -43.2 6.3 90.9 -0.3 29 50 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.916 113.6 48.8 -68.2 -42.4 6.3 87.9 2.1 30 51 A A H X>S+ 0 0 2 -4,-2.4 5,-2.2 -5,-0.2 4,-0.6 0.963 111.0 49.0 -61.3 -53.8 2.6 88.1 2.6 31 52 A K H ><5S+ 0 0 183 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.945 112.3 50.0 -47.7 -54.3 1.8 88.3 -1.2 32 53 A G H 3<5S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.885 111.7 47.0 -60.5 -33.3 4.0 85.4 -1.9 33 54 A A H 3<5S- 0 0 16 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.500 112.8-115.0 -85.5 0.6 2.4 83.3 0.8 34 55 A G T <<5S+ 0 0 70 -3,-1.6 2,-0.3 -4,-0.6 -3,-0.2 0.860 78.1 110.3 76.6 35.3 -1.2 84.1 -0.2 35 56 A I < - 0 0 28 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.875 68.7-101.6-139.4 164.6 -2.0 86.0 3.0 36 57 A S > - 0 0 56 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.477 36.1-107.9 -84.3 165.2 -2.7 89.5 4.2 37 58 A R H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.928 119.1 47.9 -58.2 -48.5 -0.1 91.6 6.0 38 59 A P H > S+ 0 0 93 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.870 108.8 54.5 -69.6 -26.7 -1.8 91.4 9.4 39 60 A T H >> S+ 0 0 44 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.900 105.1 55.4 -62.5 -42.0 -2.1 87.6 9.0 40 61 A F H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-0.8 0.924 104.0 54.3 -49.1 -48.2 1.7 87.6 8.4 41 62 A Y H 3< S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.665 97.9 62.8 -70.3 -15.7 2.1 89.3 11.7 42 63 A F H << S+ 0 0 166 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.878 112.5 37.1 -69.3 -33.7 0.2 86.7 13.5 43 64 A Y H << S+ 0 0 35 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.1 0.793 131.5 12.9 -86.7 -33.1 2.8 84.2 12.5 44 65 A F < - 0 0 9 -4,-1.9 -1,-0.3 1,-0.0 3,-0.1 -0.980 59.9-141.1-143.6 138.5 6.1 86.3 12.8 45 66 A P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.641 84.3 -5.5 -73.9 -12.9 6.6 89.7 14.4 46 67 A S S >> S- 0 0 33 -6,-0.1 4,-0.9 1,-0.1 3,-0.6 -0.976 73.1 -99.9-170.1 166.3 9.0 90.9 11.6 47 68 A K H 3> S+ 0 0 38 -2,-0.3 4,-1.9 1,-0.2 3,-0.5 0.847 120.7 63.4 -72.3 -26.3 10.8 89.8 8.5 48 69 A E H 3> S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.856 98.2 52.7 -60.2 -35.7 13.8 89.4 10.7 49 70 A A H <> S+ 0 0 20 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.770 105.1 56.7 -69.3 -29.7 12.1 86.7 12.8 50 71 A V H X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.5 -2,-0.2 0.930 108.7 46.1 -65.2 -43.9 11.4 84.9 9.5 51 72 A L H X S+ 0 0 5 -4,-1.9 4,-3.6 1,-0.2 5,-0.3 0.929 110.4 53.6 -66.1 -43.6 15.1 84.9 8.7 52 73 A L H X S+ 0 0 45 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.908 110.3 46.3 -56.4 -45.5 15.9 83.7 12.2 53 74 A T H X S+ 0 0 37 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.885 111.8 51.4 -61.8 -40.6 13.5 80.8 11.8 54 75 A L H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.946 112.9 46.2 -61.2 -43.7 15.0 79.9 8.4 55 76 A L H X S+ 0 0 3 -4,-3.6 4,-3.1 1,-0.2 5,-0.3 0.873 109.1 54.4 -68.3 -43.0 18.5 80.0 9.9 56 77 A D H X S+ 0 0 69 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.886 108.1 51.1 -53.5 -40.7 17.5 77.9 12.9 57 78 A R H X S+ 0 0 119 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.916 112.2 44.7 -67.7 -39.5 16.1 75.3 10.6 58 79 A V H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.926 113.3 50.0 -69.4 -41.3 19.3 75.1 8.5 59 80 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.894 112.9 46.9 -64.2 -39.9 21.6 75.1 11.6 60 81 A N H X S+ 0 0 42 -4,-2.3 4,-3.1 -5,-0.3 5,-0.2 0.871 108.6 54.8 -72.4 -27.4 19.6 72.3 13.2 61 82 A Q H X S+ 0 0 95 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.946 111.3 44.8 -67.6 -43.5 19.6 70.3 10.0 62 83 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.938 114.8 49.1 -63.1 -43.8 23.3 70.5 9.8 63 84 A D H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.955 110.6 49.8 -62.4 -44.5 23.6 69.6 13.5 64 85 A M H X S+ 0 0 112 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.906 110.3 50.8 -62.6 -37.2 21.3 66.7 13.2 65 86 A A H X S+ 0 0 36 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.919 110.5 48.6 -68.7 -37.3 23.2 65.3 10.2 66 87 A L H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.944 109.2 52.8 -68.6 -37.6 26.5 65.6 12.1 67 88 A Q H X S+ 0 0 101 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 109.6 50.1 -63.4 -41.0 25.0 63.8 15.1 68 89 A T H X S+ 0 0 80 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.956 112.7 45.9 -61.2 -45.5 23.9 61.0 12.7 69 90 A L H < S+ 0 0 36 -4,-2.6 -1,-0.2 2,-0.2 3,-0.2 0.912 107.7 56.1 -64.2 -38.6 27.3 60.7 11.3 70 91 A A H < S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.911 112.3 43.5 -63.0 -38.8 28.9 60.8 14.7 71 92 A E H < S+ 0 0 128 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.730 125.7 35.0 -69.5 -23.9 26.7 57.7 15.6 72 93 A N S < S- 0 0 105 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 -0.495 81.7-174.5-133.7 63.8 27.4 56.1 12.2 73 94 A P - 0 0 94 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.253 32.1-101.7 -69.3 148.7 31.0 56.9 11.2 74 95 A A - 0 0 37 7,-0.1 2,-1.4 1,-0.1 7,-0.1 -0.394 25.3-127.1 -69.4 141.8 32.3 55.8 7.7 75 96 A D S S+ 0 0 167 -2,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.638 76.2 87.5 -91.3 84.5 34.5 52.7 7.5 76 97 A T S S- 0 0 56 -2,-1.4 5,-0.0 1,-0.1 0, 0.0 -0.833 84.3 -54.7-164.1-174.9 37.4 54.2 5.7 77 98 A D > - 0 0 97 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.078 55.4 -95.7 -83.1 171.8 40.6 56.0 6.6 78 99 A R H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 119.9 53.5 -53.8 -47.3 41.0 59.3 8.6 79 100 A E H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 111.1 44.2 -55.6 -49.0 41.1 61.5 5.7 80 101 A N H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.842 111.2 55.9 -72.0 -27.0 37.9 60.3 4.2 81 102 A M H X S+ 0 0 66 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.925 108.8 45.3 -65.1 -41.2 36.2 60.3 7.6 82 103 A W H X S+ 0 0 32 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.868 110.5 55.9 -71.2 -37.0 37.0 64.0 8.1 83 104 A R H X S+ 0 0 49 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.870 104.5 54.3 -56.6 -41.6 35.9 64.7 4.5 84 105 A T H X S+ 0 0 43 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.885 111.4 43.5 -62.7 -40.3 32.5 63.1 5.3 85 106 A G H >X S+ 0 0 14 -4,-1.5 3,-0.9 2,-0.2 4,-0.9 0.908 113.0 48.7 -73.9 -45.6 31.9 65.3 8.3 86 107 A I H >X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 3,-0.8 0.911 105.5 62.7 -60.0 -31.4 33.1 68.6 6.7 87 108 A N H 3X S+ 0 0 53 -4,-2.1 4,-3.3 -5,-0.3 5,-0.4 0.788 89.8 67.7 -63.7 -24.9 30.8 67.5 3.8 88 109 A V H S+ 0 0 22 -4,-0.9 4,-2.3 -3,-0.8 5,-0.6 0.899 114.3 55.2 -80.3 -36.2 28.3 71.5 6.3 90 111 A F H X5S+ 0 0 27 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.952 117.3 35.4 -57.2 -50.6 29.2 71.8 2.7 91 112 A E H X5S+ 0 0 97 -4,-3.3 4,-1.1 3,-0.2 -2,-0.2 0.873 118.9 49.1 -77.1 -35.5 26.1 70.2 1.5 92 113 A T H <5S+ 0 0 10 -4,-2.3 3,-0.4 -5,-0.4 -3,-0.2 0.977 121.2 32.7 -67.2 -52.3 23.7 71.5 4.2 93 114 A F H ><5S+ 0 0 6 -4,-2.3 3,-1.6 -5,-0.2 7,-0.3 0.841 116.2 60.3 -68.7 -30.9 24.7 75.2 3.9 94 115 A G H >< + 0 0 38 -3,-1.6 4,-2.3 1,-0.1 -1,-0.2 -0.318 68.9 148.4-141.9 51.0 20.6 76.9 1.5 97 118 A K H <> S+ 0 0 53 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.879 71.0 49.4 -55.2 -42.9 22.9 79.5 0.1 98 119 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.939 113.4 46.4 -69.7 -37.3 20.5 82.4 0.3 99 120 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 114.3 49.6 -67.3 -41.7 19.6 81.7 3.9 100 121 A T H X S+ 0 0 6 -4,-2.3 4,-2.0 -7,-0.3 -1,-0.2 0.924 111.8 46.8 -61.5 -49.1 23.2 81.2 4.8 101 122 A R H X S+ 0 0 104 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.945 115.8 44.3 -59.9 -50.3 24.3 84.4 3.2 102 123 A A H X S+ 0 0 15 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.901 110.9 54.7 -64.1 -39.2 21.5 86.5 4.7 103 124 A G H X S+ 0 0 0 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.896 109.3 48.5 -60.0 -37.9 22.0 84.9 8.2 104 125 A Q H >< S+ 0 0 36 -4,-2.0 3,-1.1 -5,-0.2 4,-0.4 0.957 109.4 51.0 -69.9 -43.5 25.7 85.9 8.1 105 126 A A H >< S+ 0 0 72 -4,-2.3 3,-1.1 1,-0.3 4,-0.4 0.910 109.3 54.3 -55.7 -41.5 24.8 89.5 7.1 106 127 A A H >X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 3,-1.0 0.691 83.7 81.5 -66.6 -22.6 22.4 89.5 10.0 107 128 A R T << S+ 0 0 86 -3,-1.1 -1,-0.2 -4,-0.9 7,-0.2 0.825 91.0 55.7 -56.2 -29.1 24.9 88.5 12.6 108 129 A A T <4 S+ 0 0 94 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.834 120.1 26.2 -68.8 -34.4 26.0 92.1 12.7 109 130 A T T <4 S+ 0 0 125 -3,-1.0 2,-0.6 -4,-0.4 -2,-0.2 0.564 110.6 69.4-112.4 -11.3 22.6 93.6 13.4 110 131 A S X - 0 0 22 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 -0.896 51.9-165.7-121.0 113.1 20.7 90.9 15.2 111 132 A V H > S+ 0 0 96 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.924 94.5 49.9 -58.0 -41.2 21.5 89.7 18.7 112 133 A E H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 111.4 47.3 -69.3 -37.3 19.4 86.6 18.3 113 134 A V H > S+ 0 0 3 -7,-0.2 4,-2.7 2,-0.2 5,-0.3 0.936 113.3 49.8 -63.0 -52.1 21.0 85.6 15.0 114 135 A A H X S+ 0 0 33 -4,-2.9 4,-2.6 -8,-0.3 -2,-0.2 0.916 112.8 47.2 -50.6 -44.5 24.4 86.2 16.5 115 136 A E H X S+ 0 0 126 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.872 110.0 51.6 -62.4 -37.9 23.4 84.1 19.5 116 137 A L H X S+ 0 0 19 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.955 112.2 46.0 -69.8 -47.5 22.0 81.3 17.4 117 138 A W H X S+ 0 0 7 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.928 113.5 51.3 -57.1 -47.6 25.3 81.1 15.3 118 139 A S H X S+ 0 0 55 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.910 106.7 52.5 -55.0 -51.5 27.4 81.2 18.5 119 140 A T H X S+ 0 0 81 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.929 114.2 42.0 -53.1 -47.8 25.6 78.4 20.2 120 141 A F H X S+ 0 0 21 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.911 112.3 51.8 -75.8 -36.4 26.0 76.1 17.3 121 142 A M H X S+ 0 0 16 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.892 108.3 54.1 -63.9 -39.6 29.6 77.0 16.5 122 143 A Q H X S+ 0 0 124 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.931 111.4 46.0 -55.4 -46.8 30.4 76.4 20.2 123 144 A K H X S+ 0 0 104 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.928 113.1 47.5 -58.7 -47.3 28.9 72.9 19.9 124 145 A W H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.869 113.5 48.2 -65.8 -39.7 30.6 72.1 16.7 125 146 A I H X S+ 0 0 14 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.930 109.8 52.0 -66.7 -40.3 34.0 73.3 18.0 126 147 A A H X S+ 0 0 50 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.913 111.1 48.0 -62.5 -40.1 33.6 71.3 21.2 127 148 A Y H X S+ 0 0 96 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.950 111.0 50.0 -62.9 -46.3 32.8 68.2 19.3 128 149 A T H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.923 110.8 51.7 -57.5 -45.3 35.8 68.7 16.9 129 150 A A H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.931 107.7 51.2 -58.9 -35.8 38.0 69.2 20.0 130 151 A A H X S+ 0 0 50 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.857 109.4 49.8 -72.6 -36.1 36.8 66.0 21.5 131 152 A V H X S+ 0 0 36 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.921 111.3 48.6 -63.2 -42.5 37.6 64.1 18.4 132 153 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 110.6 52.1 -64.0 -42.6 41.0 65.5 18.2 133 154 A D H X S+ 0 0 76 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.897 110.8 47.4 -52.8 -47.0 41.4 64.6 21.9 134 155 A A H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.909 110.3 52.9 -67.7 -39.3 40.4 61.0 21.2 135 156 A E H <>S+ 0 0 16 -4,-2.7 5,-2.4 1,-0.2 6,-1.4 0.880 111.0 46.0 -64.2 -35.6 42.8 60.9 18.3 136 157 A R H ><5S+ 0 0 19 -4,-2.3 3,-1.3 4,-0.2 -1,-0.2 0.901 110.3 53.5 -72.9 -38.6 45.6 62.0 20.5 137 158 A D H 3<5S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.835 108.3 50.6 -64.1 -32.5 44.6 59.5 23.2 138 159 A R T 3<5S- 0 0 183 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.443 117.5-116.4 -78.4 -9.8 44.7 56.6 20.6 139 160 A G T < 5S+ 0 0 66 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.567 87.4 112.9 78.4 17.6 48.2 57.8 19.6 140 161 A A S - 0 0 68 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.305 46.3-128.8 -52.1 127.4 45.6 72.9 22.6 147 168 A A H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.835 103.0 51.7 -61.3 -35.7 42.9 70.9 20.9 148 169 A H H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 110.2 47.9 -73.7 -26.3 40.1 73.4 21.5 149 170 A E H > S+ 0 0 128 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.922 113.2 48.0 -74.7 -42.1 42.1 76.3 20.1 150 171 A L H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.940 113.6 49.3 -59.1 -49.2 43.1 74.2 17.0 151 172 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.866 108.4 52.8 -59.2 -39.9 39.4 73.2 16.6 152 173 A T H X S+ 0 0 42 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.940 111.7 44.2 -61.7 -50.4 38.2 76.8 16.9 153 174 A A H X S+ 0 0 60 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.895 114.2 50.0 -63.0 -44.4 40.5 78.1 14.1 154 175 A L H X S+ 0 0 8 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.888 112.9 46.2 -63.3 -33.5 39.7 75.2 11.8 155 176 A N H X S+ 0 0 12 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.890 113.0 50.1 -73.0 -38.7 35.9 75.7 12.3 156 177 A L H X S+ 0 0 84 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.886 108.9 52.3 -59.9 -42.7 36.3 79.4 11.7 157 178 A M H X S+ 0 0 43 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.944 110.3 48.5 -58.5 -45.3 38.3 78.7 8.6 158 179 A N H X S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.907 110.2 51.3 -64.8 -41.8 35.5 76.5 7.4 159 180 A E H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.967 117.4 37.7 -55.9 -52.3 32.8 79.0 8.2 160 181 A R H X S+ 0 0 141 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.892 120.1 46.6 -70.0 -35.4 34.6 81.9 6.3 161 182 A T H X S+ 0 0 33 -4,-2.8 4,-2.3 -5,-0.3 12,-0.3 0.937 114.0 46.1 -76.6 -50.3 35.9 79.6 3.4 162 183 A L H X S+ 0 0 3 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.957 116.3 45.9 -55.7 -51.6 32.6 77.8 2.8 163 184 A F H X S+ 0 0 19 -4,-2.2 4,-2.1 -5,-0.4 6,-0.2 0.897 111.6 50.4 -70.5 -33.2 30.6 81.0 2.9 164 185 A A H X>S+ 0 0 8 -4,-2.2 5,-2.1 -5,-0.3 4,-0.5 0.914 112.8 49.4 -61.2 -41.4 33.0 82.9 0.6 165 186 A S H ><5S+ 0 0 6 -4,-2.3 3,-1.2 1,-0.2 10,-0.4 0.930 110.9 46.8 -65.6 -41.9 32.8 80.0 -1.8 166 187 A F H 3<5S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 114.4 48.5 -77.2 -25.0 29.0 79.9 -1.9 167 188 A A H 3<5S- 0 0 40 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.501 105.1-129.3 -85.3 -0.4 28.8 83.7 -2.3 168 189 A G T <<5 + 0 0 57 -3,-1.2 -3,-0.2 -4,-0.5 -4,-0.1 0.820 44.7 178.0 46.8 38.2 31.4 83.6 -5.2 169 190 A E < - 0 0 71 -5,-2.1 -1,-0.1 -6,-0.2 -5,-0.0 -0.198 35.9 -96.6 -58.3 157.3 33.2 86.4 -3.2 170 191 A Q S S+ 0 0 196 1,-0.2 2,-0.1 0, 0.0 -1,-0.1 -0.983 116.2 37.7-112.6 113.0 36.5 87.7 -4.7 171 192 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.542 91.6 126.9 -89.7 148.3 38.7 86.1 -3.2 172 193 A S - 0 0 50 -4,-0.1 -11,-0.1 -2,-0.1 -10,-0.1 -0.938 58.3-110.0-158.4 157.0 37.2 82.6 -2.8 173 194 A V - 0 0 38 -2,-0.3 -5,-0.1 -12,-0.3 5,-0.1 -0.675 52.8 -97.8 -80.2 139.9 38.1 79.0 -3.4 174 195 A P >> - 0 0 81 0, 0.0 3,-2.4 0, 0.0 4,-1.0 -0.301 29.5-120.2 -58.3 141.0 35.9 77.6 -6.2 175 196 A E H >> S+ 0 0 75 -10,-0.4 3,-0.7 1,-0.3 4,-0.5 0.866 113.5 57.1 -49.7 -38.4 33.0 75.7 -4.8 176 197 A A H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.583 113.0 40.3 -73.2 -1.8 34.2 72.5 -6.6 177 198 A R H <> S+ 0 0 121 -3,-2.4 4,-1.8 2,-0.1 -1,-0.2 0.461 89.9 90.0-115.3 -8.9 37.5 72.7 -4.8 178 199 A V H S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 113.4 51.2 -58.6 -43.3 39.5 69.1 -0.9 181 202 A T H X S+ 0 0 40 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.937 114.2 41.1 -62.5 -52.9 41.1 72.4 0.3 182 203 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.916 112.8 53.5 -66.2 -39.0 39.5 72.3 3.8 183 204 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.926 107.8 51.7 -68.1 -35.2 40.1 68.6 4.3 184 205 A H H X S+ 0 0 118 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.900 111.5 46.4 -60.0 -48.1 43.8 69.0 3.5 185 206 A I H X S+ 0 0 60 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.900 113.9 49.0 -66.8 -33.2 44.2 71.8 6.0 186 207 A W H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.960 115.0 43.2 -68.1 -46.8 42.3 69.8 8.7 187 208 A V H X S+ 0 0 29 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.908 116.0 46.4 -68.5 -44.0 44.3 66.6 8.2 188 209 A T H X S+ 0 0 67 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.913 117.0 44.0 -68.0 -37.0 47.7 68.2 8.0 189 210 A S H < S+ 0 0 39 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.854 117.6 43.6 -81.8 -22.5 47.1 70.4 11.0 190 211 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 128.1 26.7 -86.0 -31.2 45.6 67.7 13.2 191 212 A Y H < S+ 0 0 42 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.544 98.9 105.6-108.8 -6.5 48.1 64.9 12.4 192 213 A G < 0 0 33 -4,-1.7 -48,-0.1 -5,-0.3 -4,-0.0 -0.449 360.0 360.0 -85.6 141.4 51.2 66.9 11.5 193 214 A E 0 0 214 -2,-0.2 -1,-0.2 -49,-0.1 -5,-0.0 0.661 360.0 360.0 -93.6 360.0 54.3 67.4 13.6