==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR/INHIBITOR 22-DEC-10 3Q3S . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ETHR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Z.LENS,N.WILLAND,V.VILLERET . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 78.4 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 . 1 0.5 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 . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 66.0 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 1 0 2 0 0 1 0 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 56 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -89.6 -2.2 77.8 10.6 2 23 A D H > + 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.676 360.0 53.4 -71.9 -19.4 1.2 76.1 10.4 3 24 A D H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.639 103.7 53.0 -98.5 -14.4 1.0 76.2 6.6 4 25 A R H > S+ 0 0 107 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.817 113.1 48.0 -72.9 -35.9 0.4 79.9 6.4 5 26 A E H X S+ 0 0 53 -4,-1.4 4,-2.3 2,-0.2 3,-0.3 0.937 110.4 48.4 -66.5 -48.4 3.5 80.0 8.6 6 27 A L H X S+ 0 0 67 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.844 111.6 53.8 -61.6 -28.4 5.5 77.6 6.3 7 28 A A H X S+ 0 0 29 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.820 106.7 48.3 -73.5 -36.9 4.3 79.9 3.5 8 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.3 -2,-0.2 0.912 115.0 48.2 -64.6 -44.7 5.6 83.1 5.1 9 30 A L H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.932 112.4 46.1 -62.5 -46.5 8.8 81.2 5.6 10 31 A A H X S+ 0 0 47 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.913 113.5 50.8 -64.2 -42.3 9.0 79.9 2.0 11 32 A T H X S+ 0 0 20 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.932 110.4 48.1 -55.8 -53.7 8.2 83.4 0.7 12 33 A A H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.925 113.3 48.1 -55.0 -48.8 10.9 85.0 2.8 13 34 A E H X S+ 0 0 39 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.950 113.7 48.0 -57.2 -50.1 13.5 82.3 1.7 14 35 A N H >< S+ 0 0 106 -4,-3.0 3,-0.7 1,-0.2 4,-0.4 0.919 114.6 44.6 -57.3 -44.4 12.4 82.9 -2.0 15 36 A L H >X S+ 0 0 43 -4,-3.0 4,-1.6 1,-0.2 3,-1.4 0.822 103.9 62.5 -72.3 -33.1 12.6 86.7 -1.8 16 37 A L H 3< S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 92.3 68.4 -64.8 -19.8 15.9 86.7 0.1 17 38 A E T << S+ 0 0 105 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.812 110.8 32.0 -63.0 -30.3 17.4 85.0 -3.1 18 39 A D T <4 S+ 0 0 143 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.668 129.1 4.1-105.2 -24.1 16.8 88.3 -5.0 19 40 A R S < S- 0 0 74 -4,-1.6 -1,-0.2 0, 0.0 5,-0.0 -0.983 77.0 -89.7-158.2 164.0 17.3 91.1 -2.4 20 41 A P > - 0 0 77 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.238 42.9-102.5 -75.7 168.0 18.3 91.8 1.2 21 42 A L G > S+ 0 0 30 1,-0.3 3,-1.6 2,-0.2 26,-0.0 0.843 122.3 62.3 -58.6 -37.2 15.9 91.9 4.3 22 43 A A G 3 S+ 0 0 84 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.787 104.0 48.4 -53.6 -33.0 16.1 95.7 4.1 23 44 A D G < S+ 0 0 102 -3,-1.3 2,-0.4 2,-0.0 -1,-0.3 0.345 100.0 81.1 -93.5 6.0 14.5 95.5 0.6 24 45 A I < - 0 0 2 -3,-1.6 2,-0.3 -4,-0.2 23,-0.1 -0.948 65.3-156.5-114.0 129.9 11.7 93.2 1.7 25 46 A S > - 0 0 46 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.693 32.0-115.6 -98.6 156.8 8.6 94.5 3.5 26 47 A V H > S+ 0 0 13 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.849 121.9 56.0 -46.6 -37.8 6.1 92.8 5.8 27 48 A D H > S+ 0 0 85 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.891 102.5 53.1 -67.2 -41.4 3.6 93.5 2.9 28 49 A D H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 113.1 44.8 -52.5 -47.0 5.9 91.7 0.4 29 50 A L H X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.866 112.8 50.1 -70.0 -43.0 5.8 88.6 2.7 30 51 A A H X>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-0.7 0.960 111.9 47.6 -56.3 -54.4 2.1 88.8 3.3 31 52 A K H ><5S+ 0 0 175 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.934 112.5 49.0 -58.3 -47.1 1.3 89.0 -0.4 32 53 A G H 3<5S+ 0 0 47 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.803 112.0 48.9 -60.9 -30.6 3.6 86.1 -1.2 33 54 A A H 3<5S- 0 0 15 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.497 113.5-118.4 -90.1 -3.6 2.1 84.0 1.5 34 55 A G T <<5S+ 0 0 68 -3,-1.4 2,-0.3 -4,-0.7 -3,-0.2 0.885 77.3 108.8 67.6 40.5 -1.5 84.8 0.3 35 56 A I S - 0 0 60 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.347 36.9-107.0 -76.4 166.0 -3.1 90.1 4.7 37 58 A R H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.919 120.1 49.4 -60.3 -48.6 -0.6 92.2 6.6 38 59 A P H 4 S+ 0 0 96 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.827 109.4 54.2 -62.2 -27.7 -2.4 92.0 10.0 39 60 A T H >> S+ 0 0 41 1,-0.2 3,-2.0 2,-0.2 4,-0.9 0.930 102.0 57.1 -69.5 -43.4 -2.7 88.2 9.5 40 61 A F H >X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.3 3,-1.5 0.915 100.9 60.4 -43.9 -46.0 1.2 88.0 9.0 41 62 A Y H 3< S+ 0 0 105 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.593 93.6 61.9 -70.0 -10.3 1.4 89.6 12.5 42 63 A F H <4 S+ 0 0 163 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.791 113.0 36.5 -76.7 -31.3 -0.4 86.8 14.1 43 64 A Y H << S+ 0 0 33 -3,-1.5 -2,-0.2 -4,-0.9 -3,-0.1 0.821 130.4 14.8 -89.8 -37.2 2.5 84.5 12.9 44 65 A F < - 0 0 10 -4,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.998 56.9-143.4-142.6 141.2 5.4 86.7 13.4 45 66 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.667 85.2 -7.9 -75.5 -16.8 6.0 90.0 15.1 46 67 A S > - 0 0 33 -6,-0.1 4,-1.0 1,-0.1 0, 0.0 -0.977 67.9-101.4-164.0 173.2 8.3 91.2 12.4 47 68 A K H > S+ 0 0 41 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.794 121.9 58.5 -73.2 -28.8 10.3 90.5 9.2 48 69 A E H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.824 102.4 53.3 -66.1 -32.5 13.4 90.2 11.4 49 70 A A H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.818 104.6 56.1 -73.7 -28.2 11.6 87.4 13.4 50 71 A V H X S+ 0 0 1 -4,-1.0 4,-2.0 2,-0.2 3,-0.3 0.961 107.7 47.2 -63.5 -51.9 11.0 85.6 10.0 51 72 A L H X S+ 0 0 3 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.908 108.6 55.9 -55.0 -44.0 14.7 85.6 9.3 52 73 A L H X S+ 0 0 46 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.863 108.2 47.6 -57.7 -40.2 15.5 84.3 12.8 53 74 A T H X S+ 0 0 34 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.918 113.2 47.5 -66.2 -45.9 13.2 81.3 12.3 54 75 A L H X S+ 0 0 12 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 115.2 45.2 -61.3 -47.6 14.7 80.5 9.0 55 76 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.872 111.5 53.2 -64.1 -42.5 18.3 80.8 10.3 56 77 A D H X S+ 0 0 66 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.907 109.8 48.2 -58.6 -44.6 17.3 78.8 13.4 57 78 A R H X S+ 0 0 115 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.916 114.2 45.9 -62.9 -45.1 16.0 76.0 11.2 58 79 A V H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 113.3 48.2 -62.6 -49.6 19.1 76.0 8.9 59 80 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.932 113.5 48.2 -59.2 -44.6 21.6 76.1 11.9 60 81 A N H X S+ 0 0 49 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.902 108.3 54.9 -66.4 -34.3 19.7 73.2 13.6 61 82 A Q H X S+ 0 0 83 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 110.7 45.2 -60.6 -46.6 19.7 71.2 10.3 62 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.919 114.6 49.6 -59.2 -45.3 23.5 71.5 10.2 63 84 A D H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.914 110.5 47.7 -63.8 -45.2 23.7 70.6 13.8 64 85 A M H X S+ 0 0 107 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.899 111.5 51.8 -63.3 -43.0 21.5 67.5 13.6 65 86 A A H X S+ 0 0 36 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.902 109.9 48.9 -61.3 -40.4 23.4 66.4 10.5 66 87 A L H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 110.4 50.9 -64.1 -43.3 26.6 66.8 12.5 67 88 A Q H X S+ 0 0 94 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.880 108.5 53.1 -56.3 -38.9 25.1 64.8 15.4 68 89 A T H X S+ 0 0 79 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.916 109.9 46.7 -66.4 -44.9 24.1 62.0 13.0 69 90 A L H < S+ 0 0 54 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.877 112.4 51.3 -60.1 -43.9 27.6 61.8 11.7 70 91 A A H < S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 109.1 48.6 -60.6 -49.3 29.0 61.7 15.2 71 92 A E H < S+ 0 0 141 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.682 105.4 65.4 -69.0 -18.7 26.6 58.9 16.4 72 93 A N S < S- 0 0 100 -4,-1.1 -1,-0.2 1,-0.2 -4,-0.0 -0.825 83.8-144.8-105.8 94.7 27.6 56.9 13.3 73 94 A P - 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.662 31.5-145.3 -17.2 -71.1 31.3 56.0 13.7 74 95 A A - 0 0 64 -3,-0.1 2,-1.1 1,-0.1 7,-0.0 0.758 6.5-116.2 94.1 113.1 31.9 56.3 9.8 75 96 A D + 0 0 172 6,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.549 68.1 68.8-101.2 88.0 34.4 54.0 8.0 76 97 A T S S- 0 0 78 -2,-1.1 2,-0.0 1,-0.0 5,-0.0 -0.907 78.8 -53.8-168.8-174.2 37.4 55.7 6.3 77 98 A D > - 0 0 95 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.211 54.1-100.5 -76.8 171.7 40.7 57.6 6.9 78 99 A R H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.855 120.4 53.6 -60.6 -39.2 41.2 60.7 9.0 79 100 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 111.5 45.3 -65.6 -40.8 41.2 63.1 6.0 80 101 A N H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.838 108.2 58.1 -73.2 -30.7 37.9 61.7 4.8 81 102 A M H X S+ 0 0 70 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.922 110.0 43.0 -60.2 -48.0 36.5 61.9 8.4 82 103 A W H X S+ 0 0 17 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.906 111.6 55.7 -64.6 -41.3 37.2 65.7 8.5 83 104 A R H X S+ 0 0 54 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.905 104.9 52.2 -57.0 -46.2 35.9 66.1 4.9 84 105 A T H X S+ 0 0 47 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.883 111.3 47.5 -58.5 -41.6 32.6 64.5 5.9 85 106 A G H >X S+ 0 0 17 -4,-1.5 4,-0.7 2,-0.2 3,-0.6 0.927 113.1 45.7 -69.5 -45.1 32.2 66.9 8.8 86 107 A I H >X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 3,-1.2 0.924 105.9 63.6 -61.0 -40.8 33.1 70.0 6.9 87 108 A N H 3X S+ 0 0 54 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.764 90.8 65.7 -52.5 -32.6 30.7 68.8 4.1 88 109 A V H S+ 0 0 25 -3,-1.2 4,-2.6 -4,-0.7 5,-0.7 0.923 114.7 54.3 -76.0 -45.0 28.2 72.8 6.5 90 111 A F H X5S+ 0 0 27 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.915 118.8 35.1 -52.4 -46.0 29.2 73.1 2.8 91 112 A E H X5S+ 0 0 97 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.879 120.5 45.8 -81.7 -42.7 26.0 71.2 1.8 92 113 A T H <5S+ 0 0 12 -4,-2.3 4,-0.3 -5,-0.3 -3,-0.2 0.945 122.0 35.2 -66.6 -50.4 23.6 72.6 4.5 93 114 A F H ><5S+ 0 0 18 -4,-2.6 3,-1.1 -5,-0.3 7,-0.3 0.867 115.3 57.4 -75.0 -32.3 24.6 76.2 4.2 94 115 A G H 3< S+ 0 0 35 -3,-1.1 4,-2.5 -4,-0.3 5,-0.2 -0.336 71.5 146.2-140.7 54.1 20.4 77.8 2.0 97 118 A K H > S+ 0 0 56 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.823 72.5 51.0 -63.9 -39.8 22.8 80.5 0.8 98 119 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 116.1 39.0 -69.1 -49.2 20.4 83.4 1.0 99 120 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 117.0 51.1 -62.1 -44.4 19.2 82.7 4.5 100 121 A T H X S+ 0 0 16 -4,-2.5 4,-1.4 -7,-0.3 -2,-0.2 0.920 113.9 44.7 -64.6 -40.0 22.6 81.8 5.7 101 122 A R H X S+ 0 0 111 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.892 111.1 52.5 -69.1 -44.2 24.0 85.1 4.2 102 123 A A H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.834 104.3 58.7 -61.8 -36.2 21.1 87.2 5.6 103 124 A G H X S+ 0 0 1 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.919 105.4 49.0 -56.2 -44.6 21.9 85.8 9.0 104 125 A Q H >< S+ 0 0 28 -4,-1.4 3,-0.7 1,-0.2 4,-0.5 0.951 111.4 47.7 -64.3 -47.6 25.4 87.1 8.9 105 126 A A H >< S+ 0 0 75 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.890 111.6 52.8 -59.6 -37.1 24.2 90.6 7.8 106 127 A A H >X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 3,-1.4 0.705 87.0 81.3 -70.3 -23.6 21.6 90.5 10.7 107 128 A R T << S+ 0 0 149 -4,-1.4 7,-0.2 -3,-0.7 -1,-0.2 0.814 91.6 51.9 -52.1 -33.1 24.2 89.6 13.4 108 129 A A T <4 S+ 0 0 80 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.727 121.3 29.3 -76.0 -23.6 25.1 93.3 13.6 109 130 A T T <4 S+ 0 0 122 -3,-1.4 2,-0.5 -4,-0.3 -2,-0.2 0.509 113.3 61.0-119.0 -10.6 21.5 94.6 14.1 110 131 A S X - 0 0 16 -4,-2.3 4,-2.3 1,-0.1 -1,-0.2 -0.947 54.4-166.4-129.0 110.6 19.8 91.7 15.8 111 132 A V H > S+ 0 0 102 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.850 93.8 55.6 -62.7 -35.3 21.0 90.6 19.3 112 133 A E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 109.4 45.2 -64.6 -40.8 18.9 87.4 18.9 113 134 A V H > S+ 0 0 3 -7,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 114.6 49.0 -64.6 -45.8 20.6 86.5 15.6 114 135 A A H X S+ 0 0 34 -4,-2.3 4,-2.8 -8,-0.3 -2,-0.2 0.920 114.1 46.4 -58.7 -44.9 24.0 87.3 17.1 115 136 A E H X S+ 0 0 128 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.898 112.3 49.3 -65.2 -47.6 23.2 85.1 20.2 116 137 A L H X S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.939 115.0 44.3 -57.6 -50.5 21.8 82.2 18.0 117 138 A W H X S+ 0 0 29 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.961 113.1 50.9 -58.3 -50.1 25.0 82.3 15.8 118 139 A S H X S+ 0 0 57 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.892 107.9 54.2 -57.0 -44.5 27.3 82.6 18.8 119 140 A T H X S+ 0 0 68 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.881 112.5 41.6 -55.3 -46.7 25.6 79.6 20.6 120 141 A F H X S+ 0 0 17 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.894 111.1 55.4 -74.7 -35.1 26.1 77.3 17.6 121 142 A M H X S+ 0 0 18 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.939 108.7 49.4 -61.8 -43.5 29.6 78.4 16.9 122 143 A Q H X S+ 0 0 123 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.933 112.3 47.5 -58.8 -46.8 30.5 77.6 20.5 123 144 A K H X S+ 0 0 79 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.923 114.0 47.0 -56.4 -49.3 28.9 74.1 20.3 124 145 A W H X S+ 0 0 5 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.906 113.8 47.1 -64.1 -41.4 30.6 73.4 17.0 125 146 A I H X S+ 0 0 14 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.940 111.5 51.3 -63.0 -48.9 34.0 74.6 18.2 126 147 A A H X S+ 0 0 48 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.917 112.5 45.9 -52.4 -48.0 33.6 72.6 21.5 127 148 A Y H X S+ 0 0 93 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.950 111.5 52.1 -64.4 -43.2 32.8 69.4 19.5 128 149 A T H X S+ 0 0 12 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.928 111.0 48.0 -53.1 -47.1 35.8 70.1 17.0 129 150 A A H X S+ 0 0 6 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.890 108.2 54.9 -62.8 -41.0 38.1 70.5 20.0 130 151 A A H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.916 110.4 46.1 -62.3 -43.0 36.8 67.2 21.6 131 152 A V H X S+ 0 0 24 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.913 111.9 49.7 -62.0 -47.9 37.6 65.3 18.4 132 153 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.939 112.6 49.3 -56.2 -46.8 41.0 66.9 18.1 133 154 A D H X S+ 0 0 62 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.885 110.6 49.0 -60.4 -43.7 41.6 65.9 21.8 134 155 A A H X S+ 0 0 52 -4,-2.5 4,-1.9 2,-0.2 6,-0.2 0.920 111.3 50.1 -55.6 -48.3 40.4 62.3 21.1 135 156 A E H <>S+ 0 0 15 -4,-3.0 5,-2.1 1,-0.2 6,-1.4 0.864 113.4 46.5 -57.4 -38.5 42.8 62.2 18.1 136 157 A R H ><5S+ 0 0 15 -4,-2.3 3,-1.0 4,-0.2 -2,-0.2 0.886 108.6 55.7 -69.5 -41.7 45.5 63.5 20.4 137 158 A D H 3<5S+ 0 0 117 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.804 107.8 47.9 -61.6 -33.6 44.6 60.9 23.1 138 159 A R T 3<5S- 0 0 160 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.468 118.2-112.4 -87.5 -1.8 44.9 57.9 20.7 139 160 A G T < 5S+ 0 0 66 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.628 87.3 116.7 82.1 16.7 48.3 59.3 19.5 140 161 A A S - 0 0 70 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.480 44.1-125.9 -50.3 131.8 45.6 74.2 22.6 147 168 A A H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.842 106.8 51.2 -57.4 -35.5 42.8 72.2 20.9 148 169 A H H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 110.5 46.7 -75.2 -36.8 40.2 74.8 21.6 149 170 A E H > S+ 0 0 127 -3,-0.4 4,-2.0 2,-0.2 5,-0.2 0.908 114.3 49.2 -70.4 -42.2 42.2 77.7 20.2 150 171 A L H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.946 111.8 48.2 -57.6 -54.6 42.9 75.5 17.1 151 172 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.850 109.3 55.5 -52.1 -43.0 39.2 74.6 16.7 152 173 A T H X S+ 0 0 43 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.967 110.5 42.0 -57.6 -56.4 38.2 78.3 17.1 153 174 A A H X S+ 0 0 63 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.895 114.6 51.8 -61.3 -38.5 40.4 79.6 14.2 154 175 A L H X S+ 0 0 8 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.902 112.4 44.1 -67.2 -42.9 39.5 76.6 11.9 155 176 A N H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.884 113.6 51.9 -66.2 -39.6 35.8 77.1 12.4 156 177 A L H X S+ 0 0 88 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.911 108.5 51.5 -61.6 -41.1 36.2 80.9 11.9 157 178 A M H X S+ 0 0 44 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.953 111.9 47.0 -59.1 -46.3 38.1 80.2 8.7 158 179 A N H X S+ 0 0 13 -4,-2.0 4,-2.5 1,-0.2 5,-0.4 0.905 109.9 52.6 -64.4 -42.6 35.3 78.0 7.4 159 180 A E H X S+ 0 0 52 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.948 117.7 37.1 -50.2 -54.0 32.6 80.5 8.4 160 181 A R H X S+ 0 0 124 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.822 119.2 47.1 -70.6 -35.9 34.4 83.3 6.5 161 182 A T H X S+ 0 0 34 -4,-2.6 4,-2.3 -5,-0.2 12,-0.2 0.876 114.0 45.0 -83.2 -40.9 35.6 81.2 3.5 162 183 A L H X S+ 0 0 10 -4,-2.5 4,-3.3 -5,-0.3 5,-0.2 0.921 114.2 52.2 -67.3 -39.1 32.4 79.4 2.8 163 184 A F H X S+ 0 0 49 -4,-1.7 4,-2.6 -5,-0.4 -2,-0.2 0.961 110.0 47.3 -57.0 -55.6 30.6 82.7 3.2 164 185 A A H <>S+ 0 0 9 -4,-2.3 5,-2.7 2,-0.2 4,-0.5 0.938 115.4 46.4 -50.8 -49.4 32.9 84.4 0.6 165 186 A S H ><5S+ 0 0 10 -4,-2.3 3,-1.1 1,-0.2 10,-0.3 0.939 115.3 44.7 -59.0 -50.5 32.5 81.5 -1.8 166 187 A F H 3<5S+ 0 0 16 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 114.9 48.0 -69.2 -30.4 28.7 81.3 -1.5 167 188 A A T 3<5S- 0 0 23 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.463 108.9-124.7 -84.2 -1.4 28.3 85.1 -1.7 168 189 A G T < 5 - 0 0 61 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.877 47.1-180.0 59.4 39.5 30.6 85.2 -4.8 169 190 A E < - 0 0 54 -5,-2.7 -1,-0.1 -6,-0.2 -5,-0.0 -0.288 32.7 -98.2 -71.6 158.0 33.0 87.7 -3.1 170 191 A Q S S+ 0 0 193 1,-0.2 2,-0.1 -2,-0.0 -1,-0.1 -0.963 114.5 31.1-113.9 108.4 36.1 89.1 -4.6 171 192 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.502 91.3 129.5 -90.4 163.1 38.3 87.5 -3.4 172 193 A S - 0 0 49 -4,-0.1 -10,-0.1 -2,-0.1 -11,-0.1 -0.945 57.0-105.9-164.3 152.5 36.9 84.0 -2.8 173 194 A V - 0 0 39 -2,-0.3 -5,-0.1 -12,-0.2 5,-0.1 -0.610 53.1 -98.1 -73.3 136.8 37.8 80.3 -3.5 174 195 A P >> - 0 0 83 0, 0.0 3,-2.5 0, 0.0 4,-1.3 -0.344 29.9-122.9 -54.0 137.6 35.6 78.9 -6.3 175 196 A E H 3> S+ 0 0 75 1,-0.3 4,-0.6 -10,-0.3 3,-0.2 0.819 113.2 58.7 -55.7 -31.5 32.8 77.0 -4.7 176 197 A A H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.588 115.5 36.2 -74.3 -8.8 33.8 73.8 -6.6 177 198 A R H <> S+ 0 0 128 -3,-2.5 4,-1.7 2,-0.1 -2,-0.2 0.528 94.8 84.7-114.4 -10.7 37.3 74.1 -5.0 178 199 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.851 84.2 55.5 -73.1 -33.6 36.5 75.3 -1.4 179 200 A L H X S+ 0 0 29 -4,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.979 111.9 44.1 -60.9 -53.8 35.7 72.0 0.2 180 201 A D H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.832 112.2 54.6 -56.2 -40.7 39.1 70.5 -0.8 181 202 A T H X S+ 0 0 41 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.925 112.1 41.8 -59.6 -48.9 40.9 73.8 0.3 182 203 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.907 111.0 54.8 -71.6 -39.9 39.4 73.7 3.8 183 204 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.937 107.4 52.6 -60.0 -43.1 40.0 70.0 4.3 184 205 A H H X S+ 0 0 116 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.918 111.5 44.8 -56.3 -48.7 43.7 70.5 3.5 185 206 A I H X S+ 0 0 63 -4,-1.6 4,-2.0 2,-0.2 5,-0.2 0.924 115.2 48.1 -66.9 -38.6 44.1 73.3 6.0 186 207 A W H X S+ 0 0 10 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.943 115.4 43.2 -66.7 -47.8 42.2 71.4 8.7 187 208 A V H X S+ 0 0 19 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.909 116.1 46.1 -69.4 -41.7 44.1 68.1 8.2 188 209 A T H X S+ 0 0 71 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.892 117.6 43.8 -70.2 -35.7 47.6 69.6 7.9 189 210 A S H < S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.804 117.1 45.3 -79.2 -27.8 47.1 71.9 11.0 190 211 A I H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.886 128.5 26.0 -80.3 -36.4 45.4 69.2 13.1 191 212 A Y H < S+ 0 0 22 -4,-2.5 2,-0.3 -5,-0.2 -2,-0.2 0.615 94.8 110.3-101.4 -13.0 48.0 66.4 12.2 192 213 A G < - 0 0 25 -4,-1.6 -4,-0.0 -5,-0.3 -51,-0.0 -0.473 44.9-169.7 -74.1 124.8 51.1 68.6 11.4 193 214 A E 0 0 141 1,-0.3 -1,-0.2 -2,-0.3 -4,-0.0 0.765 360.0 360.0 -81.4 -31.2 53.9 68.4 13.9 194 215 A N 0 0 215 -6,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 -0.957 360.0 360.0-174.1 360.0 55.2 71.4 11.9