==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/INHIBITOR 07-SEP-11 3TP0 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ETHR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR X.CARETTE,N.BLONDIAUX,E.WILLERY,S.HOOS,N.LECAT-GUILLET,Z.LEN . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 81.4 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 . 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 67.0 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 1 0 0 0 2 0 0 0 1 0 1 0 0 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 24 A D > 0 0 152 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -50.8 -15.8 -58.2 -0.5 2 25 A R H > + 0 0 134 2,-0.2 4,-1.4 1,-0.1 5,-0.1 0.732 360.0 62.8 -65.1 -27.0 -19.3 -58.8 -1.7 3 26 A E H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.927 99.5 47.1 -57.7 -50.9 -19.5 -55.6 0.3 4 27 A L H > S+ 0 0 93 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.849 108.9 56.9 -60.5 -35.6 -17.1 -53.7 -2.0 5 28 A A H X S+ 0 0 33 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.849 106.2 48.1 -69.4 -35.3 -19.1 -54.9 -4.9 6 29 A I H X S+ 0 0 0 -4,-1.4 4,-3.1 -3,-0.3 -2,-0.2 0.923 113.7 49.0 -64.8 -44.0 -22.2 -53.4 -3.5 7 30 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 112.6 45.6 -63.7 -43.4 -20.3 -50.2 -2.9 8 31 A A H X S+ 0 0 46 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.914 112.6 52.1 -69.2 -44.2 -18.9 -50.1 -6.5 9 32 A T H X S+ 0 0 18 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.938 109.9 48.6 -52.6 -51.3 -22.3 -51.0 -8.0 10 33 A A H X S+ 0 0 3 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.959 111.4 49.5 -57.9 -48.0 -24.0 -48.1 -6.0 11 34 A E H X S+ 0 0 44 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.883 113.1 47.8 -57.0 -44.2 -21.3 -45.6 -7.1 12 35 A N H >< S+ 0 0 93 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.929 114.2 45.3 -60.8 -46.9 -21.7 -46.7 -10.8 13 36 A L H >X S+ 0 0 36 -4,-2.8 3,-2.0 1,-0.3 4,-1.3 0.915 103.5 61.8 -69.7 -42.6 -25.5 -46.5 -10.7 14 37 A L H 3< S+ 0 0 1 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.649 90.0 73.9 -57.4 -17.3 -25.6 -43.2 -8.9 15 38 A E T << S+ 0 0 111 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.880 112.7 21.6 -60.9 -35.7 -23.8 -41.7 -12.0 16 39 A D T <4 S+ 0 0 127 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.2 0.535 128.3 32.7-109.7 -12.7 -27.0 -42.0 -14.1 17 40 A R S < S- 0 0 70 -4,-1.3 -1,-0.2 3,-0.0 5,-0.0 -0.994 77.0-109.4-146.1 143.7 -29.9 -42.1 -11.5 18 41 A P - 0 0 69 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.194 41.4-103.5 -62.5 172.6 -30.7 -40.7 -8.1 19 42 A L S > S+ 0 0 31 1,-0.2 3,-1.5 2,-0.2 26,-0.1 0.829 123.1 61.8 -66.6 -34.8 -30.8 -43.0 -5.1 20 43 A A T 3 S+ 0 0 80 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.877 104.6 47.0 -59.5 -36.1 -34.6 -42.8 -5.3 21 44 A D T 3 S+ 0 0 101 -3,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.207 98.7 83.8 -93.6 15.9 -34.5 -44.4 -8.9 22 45 A I < - 0 0 2 -3,-1.5 2,-0.2 -5,-0.0 23,-0.1 -0.981 68.0-159.0-113.6 122.9 -32.0 -47.1 -7.7 23 46 A S > - 0 0 42 -2,-0.5 4,-1.7 1,-0.1 3,-0.4 -0.639 29.9-115.0 -96.4 160.0 -33.7 -50.1 -6.0 24 47 A V H > S+ 0 0 16 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.827 120.6 58.6 -57.1 -28.0 -32.1 -52.7 -3.6 25 48 A D H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 101.5 54.5 -70.9 -38.9 -32.7 -55.2 -6.4 26 49 A D H > S+ 0 0 54 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.917 110.5 45.7 -55.0 -49.2 -30.5 -53.0 -8.6 27 50 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.931 113.9 48.0 -62.2 -50.0 -27.6 -53.1 -6.0 28 51 A A H X>S+ 0 0 4 -4,-2.6 5,-2.4 2,-0.2 4,-0.6 0.967 112.9 48.9 -53.5 -55.2 -27.9 -56.9 -5.4 29 52 A K H ><5S+ 0 0 172 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.918 112.1 46.0 -54.8 -52.7 -28.0 -57.6 -9.2 30 53 A G H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 113.1 52.3 -61.5 -29.8 -24.9 -55.5 -10.1 31 54 A A H 3<5S- 0 0 16 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.481 113.8-118.2 -81.6 -9.7 -23.0 -57.0 -7.1 32 55 A G T <<5S+ 0 0 69 -3,-1.3 2,-0.3 -4,-0.6 -3,-0.2 0.800 77.3 108.1 75.0 30.5 -23.8 -60.6 -8.2 33 56 A I S - 0 0 58 -2,-0.3 4,-1.9 -3,-0.1 3,-0.1 -0.433 37.3-106.4 -81.2 165.9 -29.4 -62.0 -4.0 35 58 A R H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.899 119.0 49.4 -60.3 -45.5 -31.6 -59.4 -2.3 36 59 A P H > S+ 0 0 98 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.833 108.1 54.0 -64.0 -30.9 -31.4 -61.2 1.1 37 60 A T H >> S+ 0 0 44 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.899 104.9 55.8 -69.6 -36.3 -27.6 -61.5 0.9 38 61 A F H >X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 3,-1.5 0.945 103.4 54.8 -50.3 -52.1 -27.5 -57.6 0.3 39 62 A Y H 3< S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.700 97.4 63.9 -65.9 -20.3 -29.5 -57.1 3.6 40 63 A F H << S+ 0 0 165 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.868 113.9 32.5 -63.3 -43.3 -26.8 -59.1 5.4 41 64 A Y H << S+ 0 0 60 -3,-1.5 -2,-0.2 -4,-0.9 -1,-0.1 0.836 132.1 19.9 -81.1 -41.9 -24.3 -56.3 4.5 42 65 A F < - 0 0 9 -4,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.990 56.9-149.1-134.4 134.4 -26.5 -53.2 4.5 43 66 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.717 85.1 -5.7 -71.5 -13.6 -29.9 -52.6 6.1 44 67 A S S > S- 0 0 35 -6,-0.1 4,-1.1 1,-0.1 0, 0.0 -0.983 70.4-101.5-166.4 164.5 -30.8 -50.2 3.2 45 68 A K H > S+ 0 0 37 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.822 121.2 59.5 -64.2 -29.4 -29.7 -48.4 0.1 46 69 A E H > S+ 0 0 91 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.952 100.4 55.6 -65.2 -41.5 -29.3 -45.3 2.3 47 70 A A H > S+ 0 0 18 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.842 105.1 53.5 -60.8 -34.0 -26.9 -47.2 4.4 48 71 A V H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 -1,-0.3 0.902 108.7 46.8 -61.7 -45.7 -24.9 -47.8 1.2 49 72 A L H X S+ 0 0 4 -4,-1.9 4,-2.8 -3,-0.2 5,-0.2 0.897 109.4 56.3 -65.5 -40.9 -24.7 -44.1 0.3 50 73 A L H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.885 109.8 44.2 -56.2 -46.5 -23.7 -43.4 3.9 51 74 A T H X S+ 0 0 40 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.887 112.2 52.2 -68.7 -39.9 -20.7 -45.8 3.7 52 75 A L H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.927 112.3 45.8 -62.0 -40.0 -19.8 -44.5 0.3 53 76 A L H X S+ 0 0 1 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.922 108.7 56.6 -70.0 -42.9 -19.8 -40.8 1.6 54 77 A D H X S+ 0 0 67 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.888 108.2 47.7 -53.0 -44.7 -17.8 -41.9 4.7 55 78 A R H X S+ 0 0 135 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.937 113.8 46.3 -64.1 -44.8 -15.1 -43.3 2.4 56 79 A V H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.944 114.2 48.2 -64.4 -42.1 -15.0 -40.1 0.3 57 80 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.913 112.1 48.0 -68.2 -40.2 -14.9 -37.9 3.3 58 81 A N H X S+ 0 0 58 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.886 108.9 55.2 -70.7 -34.8 -12.2 -39.8 5.0 59 82 A Q H X S+ 0 0 95 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.917 110.4 43.9 -63.9 -44.3 -10.2 -39.8 1.8 60 83 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.924 115.0 50.9 -66.5 -41.0 -10.3 -36.0 1.6 61 84 A D H X S+ 0 0 8 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.869 110.3 48.4 -62.4 -40.9 -9.5 -35.8 5.3 62 85 A M H X S+ 0 0 121 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.891 111.3 50.0 -68.5 -37.7 -6.5 -38.2 5.0 63 86 A A H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 111.4 48.9 -66.2 -40.4 -5.1 -36.2 2.0 64 87 A L H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.938 108.9 52.6 -63.2 -47.4 -5.5 -32.9 4.0 65 88 A Q H < S+ 0 0 75 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.888 108.8 52.5 -50.7 -39.0 -3.7 -34.6 7.0 66 89 A T H >< S+ 0 0 94 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.925 109.9 46.5 -65.3 -49.0 -0.9 -35.5 4.6 67 90 A L H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 104.9 61.9 -53.7 -43.0 -0.6 -32.0 3.4 68 91 A A T 3< S+ 0 0 38 -4,-2.4 2,-0.5 1,-0.2 -1,-0.2 0.519 86.1 76.0 -68.1 -9.4 -0.6 -30.7 7.0 69 92 A E < 0 0 142 -3,-1.0 -1,-0.2 -4,-0.4 -3,-0.0 -0.380 360.0 360.0 -98.7 53.8 2.6 -32.6 7.8 70 93 A N 0 0 172 -2,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 0.052 360.0 360.0-163.9 360.0 4.9 -30.1 5.9 71 ! 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 72 97 A T 0 0 150 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.4 5.8 -22.3 -1.7 73 98 A D > - 0 0 107 1,-0.1 4,-1.9 4,-0.0 3,-0.0 -0.219 360.0 -91.1 -83.3 173.6 4.2 -18.9 -1.1 74 99 A R H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.847 122.5 52.9 -62.2 -38.0 0.9 -18.3 0.8 75 100 A E H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 111.6 45.5 -61.9 -44.6 -1.3 -18.4 -2.4 76 101 A N H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.819 107.4 59.7 -68.9 -30.5 0.0 -21.8 -3.4 77 102 A M H X S+ 0 0 67 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.970 112.1 37.7 -59.8 -52.1 -0.3 -23.1 0.1 78 103 A W H X S+ 0 0 19 -4,-1.9 4,-3.0 1,-0.2 5,-0.4 0.880 112.9 58.3 -66.6 -44.0 -4.1 -22.5 0.2 79 104 A R H X S+ 0 0 52 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.910 106.2 49.3 -56.1 -41.5 -4.5 -23.5 -3.5 80 105 A T H X S+ 0 0 52 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.901 112.7 48.0 -64.8 -39.7 -2.9 -27.0 -2.6 81 106 A G H >X S+ 0 0 16 -4,-1.7 4,-0.8 2,-0.2 3,-0.5 0.950 113.3 44.2 -63.2 -53.5 -5.3 -27.3 0.3 82 107 A I H >X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 3,-0.8 0.899 108.7 62.3 -61.2 -35.2 -8.5 -26.4 -1.6 83 108 A N H 3X S+ 0 0 53 -4,-2.5 4,-3.0 -5,-0.4 5,-0.3 0.861 91.3 63.9 -58.6 -34.5 -7.2 -28.7 -4.4 84 109 A V H S+ 0 0 21 -3,-0.8 4,-2.2 -4,-0.8 5,-0.6 0.857 113.4 53.2 -83.3 -41.4 -11.2 -31.2 -2.0 86 111 A F H X5S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.944 117.1 39.7 -54.0 -51.5 -11.7 -30.2 -5.7 87 112 A E H X5S+ 0 0 98 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.886 117.9 45.4 -69.1 -41.4 -9.8 -33.4 -6.7 88 113 A T H <5S+ 0 0 11 -4,-1.9 4,-0.2 -5,-0.3 -3,-0.2 0.942 123.2 34.8 -72.4 -49.6 -11.3 -35.8 -4.1 89 114 A F H ><5S+ 0 0 5 -4,-2.2 3,-1.6 1,-0.2 7,-0.3 0.883 115.3 58.6 -71.7 -39.2 -14.9 -34.7 -4.5 90 115 A G H >< + 0 0 35 -3,-1.6 4,-2.4 -4,-0.2 -1,-0.2 -0.415 69.8 147.9-140.1 56.3 -16.6 -39.0 -6.8 93 118 A K H <> S+ 0 0 75 -3,-0.5 4,-3.1 1,-0.2 5,-0.3 0.926 71.2 51.8 -64.6 -47.1 -19.1 -36.6 -8.2 94 119 A A H > S+ 0 0 11 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.961 115.7 40.3 -54.0 -51.0 -22.0 -39.0 -8.1 95 120 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 115.8 50.6 -66.3 -42.7 -21.5 -39.9 -4.5 96 121 A T H X S+ 0 0 2 -4,-2.4 4,-1.5 -7,-0.3 -1,-0.2 0.927 113.1 45.9 -58.6 -50.3 -20.8 -36.4 -3.5 97 122 A R H X S+ 0 0 92 -4,-3.1 4,-1.7 1,-0.2 3,-0.4 0.942 114.0 49.0 -62.8 -48.7 -23.9 -35.2 -5.2 98 123 A A H X S+ 0 0 10 -4,-3.3 4,-2.4 -5,-0.3 -2,-0.2 0.882 110.9 50.1 -55.6 -39.8 -26.1 -38.0 -3.7 99 124 A G H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.758 105.6 55.4 -79.3 -26.3 -24.8 -37.4 -0.2 100 125 A Q H >< S+ 0 0 34 -4,-1.5 3,-1.1 -3,-0.4 4,-0.4 0.943 111.3 43.7 -66.4 -50.5 -25.4 -33.7 -0.3 101 126 A A H >< S+ 0 0 73 -4,-1.7 3,-1.2 1,-0.2 4,-0.4 0.872 109.8 59.6 -59.8 -38.6 -29.1 -34.3 -1.2 102 127 A A H >X S+ 0 0 11 -4,-2.4 4,-3.1 1,-0.2 3,-0.7 0.646 87.4 73.4 -65.8 -16.9 -29.2 -37.0 1.5 103 128 A R T << S+ 0 0 79 -3,-1.1 7,-0.3 -4,-0.6 -1,-0.2 0.833 92.8 56.7 -62.4 -32.8 -28.2 -34.6 4.3 104 129 A A T <4 S+ 0 0 95 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.686 122.4 23.0 -75.3 -22.2 -31.7 -33.2 4.1 105 130 A T T <4 S+ 0 0 124 -3,-0.7 2,-0.6 -4,-0.4 -2,-0.2 0.800 111.9 68.3-109.0 -43.3 -33.4 -36.6 4.7 106 131 A S X - 0 0 22 -4,-3.1 4,-2.2 1,-0.2 3,-0.2 -0.696 56.3-163.3 -90.9 112.6 -30.7 -38.8 6.6 107 132 A V H > S+ 0 0 98 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.913 94.0 51.6 -59.4 -39.0 -29.9 -37.7 10.1 108 133 A E H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.813 106.5 51.8 -69.2 -33.2 -26.7 -39.8 9.9 109 134 A V H > S+ 0 0 3 -7,-0.3 4,-2.7 2,-0.2 5,-0.2 0.925 110.0 51.0 -66.5 -43.1 -25.5 -38.3 6.6 110 135 A A H X S+ 0 0 36 -4,-2.2 4,-2.6 -8,-0.3 -2,-0.2 0.895 111.1 48.2 -57.1 -44.5 -26.0 -34.8 8.2 111 136 A E H X S+ 0 0 119 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.910 111.8 48.9 -63.7 -46.2 -23.9 -35.9 11.2 112 137 A L H X S+ 0 0 21 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 115.1 43.8 -58.6 -51.3 -21.1 -37.4 9.1 113 138 A W H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.908 114.1 50.7 -59.1 -46.7 -20.9 -34.3 6.9 114 139 A S H X S+ 0 0 53 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.925 108.5 52.4 -60.1 -45.1 -21.1 -31.9 10.0 115 140 A T H X S+ 0 0 80 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.931 113.4 42.9 -57.9 -49.0 -18.3 -33.8 11.8 116 141 A F H X S+ 0 0 22 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.941 112.6 52.1 -71.0 -40.6 -15.9 -33.6 8.9 117 142 A M H X S+ 0 0 14 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.875 108.3 51.8 -57.4 -40.9 -16.8 -29.9 8.2 118 143 A Q H X S+ 0 0 124 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.938 110.2 50.4 -61.5 -43.1 -16.1 -29.0 11.8 119 144 A K H X S+ 0 0 94 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.952 112.2 44.3 -58.0 -51.2 -12.8 -30.6 11.5 120 145 A W H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.875 114.4 50.8 -65.7 -40.5 -11.7 -28.8 8.2 121 146 A I H X S+ 0 0 15 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.904 109.1 50.2 -57.7 -43.5 -13.0 -25.5 9.6 122 147 A A H X S+ 0 0 53 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.924 111.8 48.6 -67.6 -37.3 -11.0 -26.0 12.8 123 148 A Y H X S+ 0 0 99 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.926 112.0 48.8 -67.1 -42.4 -7.8 -26.8 10.8 124 149 A T H X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.904 111.2 50.5 -62.7 -44.1 -8.4 -23.7 8.5 125 150 A A H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.918 108.3 52.2 -61.1 -43.9 -8.8 -21.5 11.5 126 151 A A H X S+ 0 0 50 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.888 112.0 45.6 -60.6 -38.7 -5.6 -22.9 13.1 127 152 A V H X S+ 0 0 23 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.942 111.3 51.6 -73.8 -46.0 -3.6 -22.1 10.0 128 153 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.881 110.7 48.7 -52.7 -44.9 -5.1 -18.7 9.7 129 154 A D H X S+ 0 0 67 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.890 110.0 52.3 -63.7 -36.7 -4.2 -18.1 13.4 130 155 A A H X S+ 0 0 49 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.921 108.4 50.7 -61.5 -44.4 -0.7 -19.3 12.6 131 156 A E H <>S+ 0 0 15 -4,-2.9 5,-2.5 2,-0.2 6,-1.7 0.837 112.9 46.0 -59.2 -39.7 -0.5 -16.8 9.7 132 157 A R H ><5S+ 0 0 18 -4,-1.8 3,-1.5 4,-0.2 -2,-0.2 0.947 110.2 53.7 -66.6 -46.4 -1.6 -14.0 12.1 133 158 A D H 3<5S+ 0 0 116 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.831 109.4 48.5 -59.8 -34.0 0.8 -15.1 14.8 134 159 A R T 3<5S- 0 0 163 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.572 117.1-113.7 -87.9 -7.3 3.7 -14.9 12.3 135 160 A G T < 5S+ 0 0 65 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.626 88.3 113.3 87.8 11.3 2.6 -11.5 11.1 136 161 A A S - 0 0 71 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.356 46.9-131.9 -43.9 121.8 -12.6 -13.9 14.2 143 168 A A H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.832 103.7 52.6 -54.6 -40.0 -10.5 -16.7 12.5 144 169 A H H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 111.2 45.2 -73.6 -35.0 -13.0 -19.4 13.2 145 170 A E H > S+ 0 0 125 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.927 113.6 49.2 -70.7 -41.1 -15.9 -17.4 11.7 146 171 A L H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 112.1 50.6 -57.8 -43.3 -13.9 -16.4 8.7 147 172 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.941 107.6 53.1 -61.0 -46.5 -13.0 -20.1 8.3 148 173 A T H X S+ 0 0 43 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.970 110.9 45.3 -52.8 -57.8 -16.6 -21.2 8.6 149 174 A A H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.887 113.8 48.9 -57.5 -41.6 -17.7 -18.9 5.8 150 175 A L H X S+ 0 0 9 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.880 112.7 47.0 -64.8 -42.9 -14.9 -19.8 3.5 151 176 A N H X S+ 0 0 13 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.875 111.3 52.1 -66.6 -37.0 -15.4 -23.5 4.0 152 177 A L H X S+ 0 0 84 -4,-2.7 4,-2.8 -5,-0.3 5,-0.3 0.929 109.1 50.9 -64.2 -42.4 -19.2 -23.2 3.4 153 178 A M H X S+ 0 0 43 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.921 109.6 48.6 -53.4 -49.0 -18.5 -21.3 0.2 154 179 A N H X S+ 0 0 10 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.928 111.6 51.6 -61.4 -44.0 -16.1 -24.1 -1.1 155 180 A E H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.954 116.4 37.7 -55.8 -57.0 -18.7 -26.7 -0.2 156 181 A R H X S+ 0 0 126 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.909 119.5 47.2 -65.4 -42.8 -21.5 -25.0 -2.1 157 182 A T H X S+ 0 0 31 -4,-3.1 4,-2.1 -5,-0.3 12,-0.3 0.922 112.8 49.1 -65.4 -43.3 -19.4 -23.9 -4.9 158 183 A L H X S+ 0 0 2 -4,-3.3 4,-2.3 -5,-0.3 5,-0.2 0.950 114.8 44.2 -58.7 -50.9 -17.7 -27.3 -5.4 159 184 A F H X S+ 0 0 13 -4,-2.3 4,-1.5 -5,-0.3 6,-0.2 0.895 112.5 49.9 -70.4 -38.4 -20.9 -29.2 -5.4 160 185 A A H X>S+ 0 0 6 -4,-2.5 5,-1.7 -5,-0.2 4,-0.6 0.881 113.3 48.4 -60.2 -40.9 -22.7 -26.8 -7.7 161 186 A S H ><5S+ 0 0 7 -4,-2.1 3,-0.8 -5,-0.2 10,-0.3 0.923 112.4 46.7 -65.1 -43.2 -19.8 -26.9 -10.2 162 187 A F H 3<5S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.694 112.2 51.6 -75.1 -25.1 -19.6 -30.7 -10.2 163 188 A A H 3<5S- 0 0 49 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.576 106.9-125.6 -85.8 -6.3 -23.3 -31.0 -10.6 164 189 A G T <<5 + 0 0 59 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.746 48.4 173.7 64.0 21.5 -23.4 -28.6 -13.6 165 190 A E < - 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