==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-AUG-10 3O8H . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TET . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.WILLAND,M.DESROSES,P.TOTO,B.DIRI,Z.LENS,V.VILLERET,P.RUCKT . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10521.0 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 . 130 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 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 22 A G > 0 0 56 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -61.9 -2.7 77.9 9.9 2 23 A D H > + 0 0 101 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.777 360.0 62.5 -75.2 -31.4 0.8 76.3 10.1 3 24 A D H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.826 102.5 51.1 -53.1 -36.7 0.4 76.2 6.3 4 25 A R H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.896 109.8 46.8 -73.0 -43.8 0.2 80.0 6.6 5 26 A E H X S+ 0 0 50 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.921 115.8 46.1 -61.5 -45.6 3.4 80.3 8.7 6 27 A L H X S+ 0 0 76 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.879 109.8 54.3 -66.5 -38.4 5.2 78.0 6.3 7 28 A A H X S+ 0 0 31 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.848 108.4 49.7 -61.0 -36.2 3.9 79.9 3.3 8 29 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.918 111.8 48.5 -67.3 -44.4 5.3 83.1 4.7 9 30 A L H X S+ 0 0 8 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.929 112.1 47.8 -61.1 -50.3 8.7 81.4 5.3 10 31 A A H X S+ 0 0 52 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.861 112.1 50.1 -57.1 -43.4 8.8 80.0 1.7 11 32 A T H X S+ 0 0 14 -4,-1.8 4,-3.1 -5,-0.2 5,-0.2 0.940 110.6 49.8 -59.3 -50.9 7.9 83.3 0.2 12 33 A A H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.916 111.4 48.1 -56.9 -46.6 10.6 85.1 2.2 13 34 A E H X S+ 0 0 43 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.942 114.3 47.4 -61.0 -46.3 13.2 82.5 1.1 14 35 A N H >X S+ 0 0 105 -4,-2.5 3,-1.2 1,-0.2 4,-0.6 0.927 113.3 46.9 -53.9 -51.8 12.1 82.9 -2.5 15 36 A L H >X S+ 0 0 37 -4,-3.1 4,-1.4 1,-0.3 3,-0.8 0.827 103.9 61.7 -67.6 -30.4 12.1 86.7 -2.4 16 37 A L H 3< S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.656 90.8 69.8 -71.5 -16.3 15.5 86.8 -0.7 17 38 A E H << S+ 0 0 105 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.885 112.4 28.5 -60.5 -38.9 17.0 85.1 -3.9 18 39 A D H << S+ 0 0 151 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.627 127.9 15.7-105.5 -20.6 16.4 88.3 -5.9 19 40 A R S < S- 0 0 74 -4,-1.4 -1,-0.2 3,-0.0 5,-0.0 -0.986 77.3 -95.1-152.9 158.3 16.6 91.2 -3.4 20 41 A P > - 0 0 80 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.248 42.1-104.8 -67.9 161.7 17.8 92.1 0.2 21 42 A L G > S+ 0 0 28 1,-0.2 3,-1.9 2,-0.2 26,-0.0 0.867 120.7 61.0 -53.6 -40.2 15.4 92.1 3.2 22 43 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.845 103.6 50.7 -55.3 -36.2 15.3 95.9 3.2 23 44 A D G < S+ 0 0 104 -3,-0.9 2,-0.5 2,-0.1 -1,-0.3 0.301 97.2 83.1 -86.2 4.4 13.8 95.8 -0.4 24 45 A I < - 0 0 1 -3,-1.9 2,-0.2 -4,-0.2 23,-0.1 -0.958 67.1-156.0-111.9 126.3 11.1 93.3 0.7 25 46 A S > - 0 0 49 -2,-0.5 4,-1.9 1,-0.1 3,-0.3 -0.659 30.7-115.8 -96.7 156.8 8.0 94.7 2.4 26 47 A V H > S+ 0 0 13 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.861 120.0 60.2 -52.0 -36.1 5.6 92.9 4.8 27 48 A D H > S+ 0 0 91 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.891 102.1 49.8 -59.0 -45.4 3.1 93.4 1.9 28 49 A D H > S+ 0 0 53 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.912 113.6 46.5 -56.5 -46.7 5.3 91.4 -0.5 29 50 A L H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 115.1 44.4 -66.3 -48.3 5.5 88.6 2.1 30 51 A A H X>S+ 0 0 1 -4,-3.2 5,-2.3 2,-0.2 4,-0.7 0.926 113.5 52.6 -59.9 -46.1 1.7 88.6 2.9 31 52 A K H ><5S+ 0 0 174 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.947 111.1 45.3 -55.7 -52.7 1.0 88.8 -0.9 32 53 A G H 3<5S+ 0 0 50 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 112.3 51.9 -63.3 -29.3 3.2 85.8 -1.7 33 54 A A H 3<5S- 0 0 16 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.513 113.0-120.1 -85.8 -5.9 1.7 83.8 1.2 34 55 A G T <<5S+ 0 0 68 -3,-1.4 2,-0.3 -4,-0.7 -3,-0.2 0.871 75.6 109.0 70.7 38.1 -1.8 84.6 -0.0 35 56 A I S - 0 0 57 -2,-0.3 4,-2.3 -3,-0.1 5,-0.1 -0.353 35.8-110.1 -72.0 159.5 -3.5 89.9 4.4 37 58 A R H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.913 118.5 49.4 -57.3 -48.7 -1.0 92.2 6.0 38 59 A P H > S+ 0 0 97 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.889 109.0 53.7 -63.4 -29.9 -2.7 92.0 9.5 39 60 A T H >> S+ 0 0 37 1,-0.2 3,-1.2 2,-0.2 4,-1.2 0.930 104.4 56.0 -63.1 -42.2 -2.9 88.2 9.2 40 61 A F H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 3,-1.0 0.922 102.5 56.0 -50.7 -46.2 0.9 88.3 8.6 41 62 A Y H 3< S+ 0 0 95 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.653 98.0 61.7 -68.1 -17.1 1.3 90.2 11.9 42 63 A F H << S+ 0 0 164 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.866 113.1 36.3 -68.4 -39.7 -0.5 87.4 13.7 43 64 A Y H << S+ 0 0 40 -4,-1.2 -2,-0.2 -3,-1.0 -3,-0.1 0.835 130.5 16.3 -84.0 -37.3 2.3 85.0 12.6 44 65 A F < - 0 0 9 -4,-2.4 -1,-0.3 1,-0.1 3,-0.1 -1.000 56.5-144.4-143.1 136.2 5.3 87.3 12.8 45 66 A P S S- 0 0 107 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.643 86.4 -6.3 -70.2 -15.2 6.0 90.7 14.5 46 67 A S > - 0 0 32 -6,-0.1 4,-0.8 1,-0.1 5,-0.1 -0.973 68.4-104.2-166.2 168.2 8.2 91.8 11.6 47 68 A K H > S+ 0 0 38 -2,-0.3 4,-1.8 2,-0.2 3,-0.3 0.829 121.6 61.6 -71.5 -31.5 9.9 90.8 8.4 48 69 A E H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 100.5 52.5 -57.3 -41.5 13.1 90.7 10.5 49 70 A A H > S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.774 104.7 55.2 -67.4 -28.8 11.4 87.9 12.7 50 71 A V H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.3 -1,-0.2 0.902 107.7 49.5 -68.0 -43.9 10.7 85.9 9.5 51 72 A L H X S+ 0 0 4 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.915 108.0 54.2 -59.3 -44.4 14.4 86.0 8.6 52 73 A L H X S+ 0 0 45 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.924 110.2 46.3 -56.8 -44.9 15.3 84.9 12.2 53 74 A T H X S+ 0 0 36 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.898 111.8 50.8 -64.9 -42.2 13.0 81.9 11.8 54 75 A L H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.960 114.1 44.6 -58.4 -48.8 14.4 81.0 8.4 55 76 A L H X S+ 0 0 6 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.878 110.0 54.8 -64.0 -41.6 18.0 81.2 9.7 56 77 A D H X S+ 0 0 61 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.924 108.4 50.3 -57.4 -44.5 17.1 79.2 12.8 57 78 A R H X S+ 0 0 107 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.930 114.1 42.8 -59.2 -46.9 15.7 76.4 10.5 58 79 A V H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 114.9 50.2 -66.5 -47.7 18.9 76.3 8.4 59 80 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.912 112.7 46.8 -55.8 -48.0 21.2 76.5 11.4 60 81 A N H X S+ 0 0 58 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.840 109.1 54.8 -65.2 -30.3 19.4 73.7 13.1 61 82 A Q H X S+ 0 0 97 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.913 110.3 46.2 -69.8 -40.2 19.4 71.6 10.0 62 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.957 114.1 48.8 -60.7 -51.0 23.2 71.9 9.8 63 84 A D H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.897 111.6 48.5 -56.8 -46.2 23.5 71.1 13.5 64 85 A M H X S+ 0 0 113 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.885 110.3 51.5 -64.4 -38.8 21.2 68.0 13.3 65 86 A A H X S+ 0 0 39 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 110.6 48.7 -64.6 -40.7 23.1 66.7 10.3 66 87 A L H X S+ 0 0 19 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.921 109.3 52.4 -63.1 -43.2 26.4 67.1 12.2 67 88 A Q H X S+ 0 0 76 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.890 107.0 54.0 -58.5 -41.4 24.9 65.3 15.2 68 89 A T H < S+ 0 0 78 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.922 109.9 46.5 -58.0 -49.0 23.9 62.4 12.9 69 90 A L H >< S+ 0 0 41 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.915 109.3 54.3 -55.9 -48.0 27.5 62.1 11.7 70 91 A A H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 107.2 52.5 -56.8 -32.2 28.8 62.2 15.3 71 92 A E T 3< S+ 0 0 145 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.509 95.8 88.3 -86.8 -8.5 26.5 59.3 16.1 72 93 A N S < S- 0 0 84 -3,-1.4 -3,-0.0 -4,-0.5 0, 0.0 -0.618 71.4-141.7 -83.6 146.5 27.8 57.2 13.2 73 94 A P + 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.984 35.8 178.1 -53.1 -70.4 30.7 54.8 13.4 74 95 A A - 0 0 57 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.930 21.2-143.9 67.4 58.7 31.6 55.9 9.7 75 96 A D + 0 0 159 6,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.313 48.9 111.6 -64.2 101.5 34.9 53.9 9.0 76 97 A T - 0 0 74 -2,-0.6 5,-0.1 2,-0.0 0, 0.0 -0.956 67.5 -71.5-158.5 170.4 37.2 56.0 6.9 77 98 A D > - 0 0 102 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.215 50.0-103.5 -69.1 165.1 40.6 57.8 7.0 78 99 A R H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.844 119.1 52.9 -59.5 -39.5 41.1 61.0 9.1 79 100 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 110.4 48.5 -62.2 -42.9 41.1 63.4 6.1 80 101 A N H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.842 106.5 57.4 -68.7 -32.0 37.8 61.9 4.9 81 102 A M H X S+ 0 0 67 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.936 111.0 42.3 -58.3 -49.4 36.3 62.3 8.4 82 103 A W H X S+ 0 0 16 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.918 112.3 54.9 -67.0 -39.6 37.0 66.0 8.4 83 104 A R H X S+ 0 0 52 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.937 107.5 47.6 -61.8 -46.3 35.8 66.4 4.9 84 105 A T H X S+ 0 0 53 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.880 114.7 49.0 -61.6 -37.8 32.4 64.7 5.6 85 106 A G H >X S+ 0 0 14 -4,-1.7 4,-0.7 2,-0.2 3,-0.6 0.940 113.5 42.8 -68.1 -49.8 32.0 67.0 8.6 86 107 A I H >X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.2 3,-1.1 0.914 108.1 63.7 -62.2 -37.2 32.9 70.3 6.8 87 108 A N H 3X S+ 0 0 52 -4,-3.0 4,-2.9 -5,-0.3 5,-0.3 0.773 89.9 66.1 -59.1 -30.1 30.7 69.0 3.9 88 109 A V H S+ 0 0 26 -3,-1.1 4,-2.0 -4,-0.7 5,-0.6 0.895 113.8 54.2 -75.2 -41.2 28.1 73.0 6.4 90 111 A F H X5S+ 0 0 29 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.953 117.1 37.0 -56.6 -54.2 29.1 73.3 2.7 91 112 A E H X5S+ 0 0 95 -4,-2.9 4,-1.6 3,-0.2 -2,-0.2 0.907 118.1 48.8 -67.1 -44.2 25.9 71.5 1.5 92 113 A T H <5S+ 0 0 12 -4,-2.2 3,-0.4 -5,-0.3 4,-0.4 0.976 122.2 31.1 -64.4 -56.6 23.4 72.9 4.1 93 114 A F H ><5S+ 0 0 12 -4,-2.0 3,-1.0 1,-0.2 7,-0.3 0.852 116.9 59.4 -72.6 -28.3 24.3 76.6 3.8 94 115 A G H 3< + 0 0 38 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.2 -0.463 67.9 148.9-135.5 56.8 20.3 78.0 1.3 97 118 A K H > S+ 0 0 55 -3,-0.5 4,-3.0 1,-0.2 5,-0.2 0.850 71.9 52.8 -63.1 -40.0 22.4 80.9 -0.1 98 119 A A H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 113.4 43.9 -66.3 -39.9 19.8 83.6 0.1 99 120 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.900 114.9 50.6 -68.9 -44.4 19.1 82.9 3.8 100 121 A T H X S+ 0 0 18 -4,-2.4 4,-2.5 -7,-0.3 -2,-0.2 0.949 113.9 43.8 -54.4 -55.8 22.9 82.6 4.5 101 122 A R H X S+ 0 0 98 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.928 117.4 45.6 -57.3 -47.6 23.5 85.9 2.8 102 123 A A H X S+ 0 0 13 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.897 113.6 49.5 -65.3 -40.8 20.5 87.6 4.5 103 124 A G H X S+ 0 0 2 -4,-3.1 4,-0.7 2,-0.2 -2,-0.2 0.897 108.6 52.1 -64.4 -42.7 21.4 86.1 7.9 104 125 A Q H >< S+ 0 0 67 -4,-2.5 3,-1.2 -5,-0.2 4,-0.4 0.949 110.9 47.8 -59.9 -50.4 25.1 87.2 7.7 105 126 A A H >< S+ 0 0 69 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.890 108.0 56.3 -53.1 -44.1 24.0 90.8 7.0 106 127 A A H 3X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.3 3,-0.4 0.556 83.7 81.8 -75.0 -8.3 21.5 90.8 9.9 107 128 A R T << S+ 0 0 71 -3,-1.2 7,-0.3 -4,-0.7 -1,-0.3 0.857 92.3 53.3 -58.8 -31.9 24.1 89.9 12.5 108 129 A A T <4 S+ 0 0 93 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.757 120.4 27.4 -76.1 -27.3 25.0 93.6 12.5 109 130 A T T 4 S+ 0 0 127 -3,-0.4 2,-0.5 -4,-0.3 -2,-0.2 0.481 113.5 65.4-116.7 -8.0 21.4 94.9 13.2 110 131 A S X - 0 0 20 -4,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.958 52.2-168.0-125.7 115.9 19.8 92.0 15.0 111 132 A V H > S+ 0 0 107 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.844 95.0 53.7 -67.2 -33.9 20.9 90.9 18.5 112 133 A E H > S+ 0 0 107 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.852 110.3 46.3 -68.3 -36.2 18.8 87.7 18.2 113 134 A V H > S+ 0 0 3 -7,-0.3 4,-2.6 2,-0.2 5,-0.2 0.954 114.8 46.8 -69.8 -47.5 20.5 86.9 14.9 114 135 A A H X S+ 0 0 36 -4,-2.7 4,-2.8 -8,-0.3 -2,-0.2 0.902 114.9 47.9 -57.2 -41.2 24.0 87.6 16.3 115 136 A E H X S+ 0 0 132 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.918 110.3 50.6 -69.0 -43.0 23.1 85.6 19.4 116 137 A L H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.940 114.5 44.2 -57.6 -50.2 21.8 82.6 17.3 117 138 A W H X S+ 0 0 32 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.945 114.0 49.3 -62.3 -49.4 24.9 82.5 15.2 118 139 A S H X S+ 0 0 56 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.910 108.6 54.0 -56.0 -44.7 27.2 82.9 18.2 119 140 A T H X S+ 0 0 62 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.932 113.5 41.4 -59.7 -45.1 25.4 80.1 20.1 120 141 A F H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.894 111.1 55.0 -72.3 -37.8 25.9 77.6 17.3 121 142 A M H X S+ 0 0 16 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.932 107.7 51.3 -57.1 -44.5 29.4 78.6 16.5 122 143 A Q H X S+ 0 0 123 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.931 111.0 49.0 -61.0 -40.9 30.3 78.0 20.1 123 144 A K H X S+ 0 0 86 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.914 113.2 44.9 -60.3 -48.1 28.7 74.5 19.9 124 145 A W H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.878 113.0 51.0 -68.2 -40.5 30.5 73.6 16.6 125 146 A I H X S+ 0 0 14 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.928 109.8 50.1 -57.4 -50.0 33.8 74.9 18.0 126 147 A A H X S+ 0 0 49 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.908 112.3 47.7 -56.3 -42.0 33.4 72.8 21.2 127 148 A Y H X S+ 0 0 93 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.947 112.1 49.5 -65.0 -44.9 32.6 69.7 19.0 128 149 A T H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.923 112.2 48.1 -56.5 -48.2 35.7 70.4 16.8 129 150 A A H X S+ 0 0 6 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.908 110.2 52.2 -63.0 -40.1 37.9 70.8 19.9 130 151 A A H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.884 110.4 47.6 -64.1 -38.7 36.5 67.5 21.4 131 152 A V H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.928 111.7 50.1 -68.5 -45.9 37.3 65.6 18.2 132 153 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.906 109.7 52.2 -51.4 -48.2 40.8 67.1 18.1 133 154 A D H X S+ 0 0 70 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.899 109.4 49.3 -54.7 -46.1 41.2 66.1 21.8 134 155 A A H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 6,-0.2 0.909 109.7 51.2 -59.4 -45.4 40.2 62.5 20.9 135 156 A E H <>S+ 0 0 15 -4,-2.3 6,-2.0 1,-0.2 5,-1.6 0.856 113.5 45.4 -60.9 -38.7 42.7 62.5 18.0 136 157 A R H ><5S+ 0 0 19 -4,-2.2 3,-0.9 4,-0.2 -2,-0.2 0.906 110.4 53.2 -67.9 -42.4 45.4 63.6 20.4 137 158 A D H 3<5S+ 0 0 118 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.810 109.9 48.3 -66.5 -31.6 44.3 61.1 23.1 138 159 A R T 3<5S- 0 0 156 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.556 116.8-115.5 -85.0 -6.7 44.6 58.2 20.6 139 160 A G T < 5S+ 0 0 65 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.484 88.0 111.5 88.4 4.0 48.1 59.5 19.4 140 161 A A S - 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.427 45.5-129.8 -50.5 126.5 45.5 74.5 22.6 147 168 A A H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.819 103.0 51.9 -59.0 -37.1 42.7 72.5 20.9 148 169 A H H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 110.8 47.2 -70.4 -37.7 39.9 75.0 21.6 149 170 A E H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 113.2 49.1 -68.6 -41.5 41.9 78.0 20.1 150 171 A L H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.944 112.3 48.4 -58.1 -53.6 42.8 75.9 17.1 151 172 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.884 109.1 54.2 -50.6 -48.0 39.1 74.9 16.6 152 173 A T H X S+ 0 0 43 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.958 111.0 43.4 -54.8 -58.5 38.0 78.5 17.0 153 174 A A H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.888 115.1 49.3 -55.7 -47.6 40.4 79.8 14.2 154 175 A L H X S+ 0 0 8 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.900 112.6 47.7 -61.9 -40.0 39.5 76.9 11.8 155 176 A N H X S+ 0 0 15 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.904 111.9 49.7 -66.3 -42.5 35.8 77.4 12.4 156 177 A L H X S+ 0 0 84 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.878 108.2 53.6 -63.2 -41.1 36.1 81.2 11.8 157 178 A M H X S+ 0 0 43 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.929 110.9 47.2 -55.5 -47.7 38.0 80.5 8.6 158 179 A N H X>S+ 0 0 12 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.929 109.3 53.5 -60.4 -45.6 35.1 78.3 7.5 159 180 A E H X5S+ 0 0 38 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.966 119.1 33.8 -51.5 -55.9 32.5 80.8 8.4 160 181 A R H X5S+ 0 0 127 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.858 121.3 46.8 -71.6 -38.0 34.2 83.6 6.4 161 182 A T H X5S+ 0 0 35 -4,-2.8 4,-2.0 -5,-0.3 12,-0.3 0.902 112.5 47.4 -79.2 -42.8 35.5 81.5 3.5 162 183 A L H X5S+ 0 0 13 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.945 115.1 48.9 -57.5 -47.6 32.3 79.4 2.8 163 184 A F H XS+ 0 0 7 -4,-2.4 5,-2.6 1,-0.2 4,-0.7 0.901 113.8 48.9 -55.5 -42.1 32.7 84.5 0.5 165 186 A S H ><5S+ 0 0 7 -4,-2.0 3,-0.6 3,-0.2 10,-0.3 0.914 113.0 45.3 -64.9 -47.3 32.5 81.5 -1.9 166 187 A F H 3<5S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.855 114.8 48.2 -67.7 -38.3 28.7 81.3 -1.7 167 188 A A H 3<5S- 0 0 42 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.560 108.4-124.3 -75.1 -10.7 28.3 85.1 -2.2 168 189 A G T <<5 + 0 0 59 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.828 48.2 178.3 66.2 33.0 30.7 85.1 -5.1 169 190 A E < - 0 0 56 -5,-2.6 -1,-0.1 -6,-0.2 -5,-0.0 -0.170 33.0-101.2 -64.5 155.8 32.8 87.8 -3.3 170 191 A Q S S+ 0 0 200 1,-0.2 2,-0.1 0, 0.0 -1,-0.1 -0.981 114.0 36.5-113.6 114.2 36.1 89.1 -4.6 171 192 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.528 93.0 128.5 -82.1 153.3 38.3 87.7 -3.1 172 193 A S - 0 0 51 -2,-0.1 -10,-0.1 -4,-0.1 -11,-0.1 -0.955 59.0-112.0-161.5 153.4 36.9 84.2 -2.8 173 194 A V - 0 0 38 -12,-0.3 -5,-0.1 -2,-0.3 5,-0.1 -0.698 54.4 -97.4 -77.0 137.7 37.9 80.6 -3.4 174 195 A P >> - 0 0 82 0, 0.0 3,-2.4 0, 0.0 4,-1.3 -0.319 30.4-120.0 -54.2 145.1 35.6 79.2 -6.2 175 196 A E H >> S+ 0 0 69 -10,-0.3 4,-0.6 1,-0.3 3,-0.6 0.906 115.3 57.9 -58.4 -37.8 32.7 77.3 -4.7 176 197 A A H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.574 114.3 37.9 -66.8 -5.1 33.9 74.2 -6.6 177 198 A R H <> S+ 0 0 125 -3,-2.4 4,-2.2 2,-0.1 -1,-0.2 0.504 92.8 86.0-117.7 -12.0 37.4 74.5 -4.8 178 199 A V H S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.862 114.1 51.7 -57.9 -41.9 39.2 70.8 -0.8 181 202 A T H X S+ 0 0 40 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.944 112.9 43.5 -61.1 -50.1 40.9 74.1 0.3 182 203 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.930 112.8 52.2 -64.8 -41.6 39.3 74.0 3.8 183 204 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.919 107.6 51.7 -64.1 -45.8 39.9 70.3 4.3 184 205 A H H X S+ 0 0 120 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.906 112.7 45.6 -52.9 -48.5 43.6 70.7 3.5 185 206 A I H X S+ 0 0 65 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.882 114.9 47.1 -67.5 -40.4 44.0 73.5 6.0 186 207 A W H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.958 115.6 45.5 -63.7 -49.3 42.1 71.6 8.7 187 208 A V H X S+ 0 0 23 -4,-3.1 4,-2.4 -5,-0.2 5,-0.3 0.938 115.0 44.2 -67.1 -46.5 44.0 68.4 8.2 188 209 A T H X S+ 0 0 67 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.898 117.2 46.6 -64.5 -36.2 47.6 69.9 8.0 189 210 A S H < S+ 0 0 38 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.821 116.7 43.5 -78.4 -27.2 46.9 72.1 11.0 190 211 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.895 129.0 25.7 -80.7 -38.7 45.4 69.4 13.2 191 212 A Y H < S+ 0 0 23 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.605 95.7 110.8-103.3 -13.8 47.9 66.6 12.3 192 213 A G < - 0 0 24 -4,-1.9 -48,-0.1 -5,-0.3 -4,-0.0 -0.406 45.3-168.8 -73.8 131.4 51.0 68.8 11.4 193 214 A E 0 0 144 1,-0.4 -1,-0.2 -2,-0.2 -4,-0.0 0.770 360.0 360.0 -86.5 -34.1 53.9 68.7 13.8 194 215 A N 0 0 210 -6,-0.1 -1,-0.4 -3,-0.0 -3,-0.0 -0.948 360.0 360.0-164.6 360.0 55.1 71.6 11.7