==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 30-JAN-09 3G1O . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.WILLAND,B.DIRIE,X.CARETTE,P.BIFANI,A.SINGHAL,M.DESROSES, . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 77.3 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 . 126 64.9 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 1 0 0 0 0 1 0 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 67 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.2 -2.8 78.1 10.7 2 23 A D > + 0 0 102 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.714 360.0 57.1-111.4 -31.0 0.6 76.5 10.2 3 24 A D H > S+ 0 0 127 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.855 102.0 62.8 -65.7 -35.7 0.9 76.4 6.4 4 25 A R H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 105.4 43.7 -52.8 -46.4 0.4 80.1 6.6 5 26 A E H > S+ 0 0 59 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.931 115.5 48.6 -64.4 -44.7 3.6 80.4 8.6 6 27 A L H X S+ 0 0 68 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.824 109.9 52.2 -66.3 -32.4 5.4 77.9 6.3 7 28 A A H X S+ 0 0 32 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.876 109.1 49.6 -69.2 -41.3 4.1 79.9 3.3 8 29 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.927 112.4 49.0 -57.2 -48.8 5.5 83.2 4.8 9 30 A L H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 112.6 46.2 -61.0 -45.5 8.8 81.3 5.4 10 31 A A H X S+ 0 0 47 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.926 113.2 49.3 -63.1 -44.8 9.0 80.0 1.7 11 32 A T H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.891 110.8 51.0 -60.5 -42.3 8.1 83.4 0.3 12 33 A A H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.936 113.8 43.4 -60.5 -50.1 10.8 85.0 2.4 13 34 A E H X S+ 0 0 42 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.942 113.8 51.7 -63.1 -47.2 13.4 82.5 1.2 14 35 A N H >< S+ 0 0 106 -4,-3.4 3,-0.9 1,-0.2 4,-0.5 0.936 114.0 43.5 -47.4 -53.7 12.2 82.8 -2.4 15 36 A L H >X S+ 0 0 41 -4,-2.7 4,-1.3 1,-0.3 3,-0.5 0.743 101.7 66.7 -73.6 -26.3 12.4 86.6 -2.3 16 37 A L H 3< S+ 0 0 8 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.832 90.0 68.5 -64.5 -27.4 15.8 86.6 -0.6 17 38 A E T << S+ 0 0 92 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.914 109.9 31.6 -49.9 -47.5 17.2 85.0 -3.8 18 39 A D T <4 S+ 0 0 143 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.612 127.7 7.4 -95.5 -19.7 16.7 88.3 -5.7 19 40 A R S < S- 0 0 80 -4,-1.3 -1,-0.1 -3,-0.1 5,-0.0 -0.980 76.7 -94.7-157.2 161.1 17.1 91.1 -3.2 20 41 A P > - 0 0 77 0, 0.0 3,-1.0 0, 0.0 4,-0.1 -0.058 46.2 -96.0 -70.5-178.3 18.2 91.8 0.4 21 42 A L G > S+ 0 0 33 1,-0.2 3,-1.6 2,-0.2 26,-0.0 0.849 121.4 63.5 -65.1 -34.8 15.8 92.0 3.4 22 43 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.549 103.2 49.0 -66.3 -11.0 15.7 95.9 3.1 23 44 A D G < S+ 0 0 97 -3,-1.0 2,-0.4 2,-0.1 -1,-0.3 0.260 97.9 79.9-115.6 6.2 14.1 95.6 -0.3 24 45 A I < - 0 0 2 -3,-1.6 2,-0.2 -4,-0.1 23,-0.1 -0.958 65.9-158.3-116.5 134.0 11.4 93.1 0.7 25 46 A S > - 0 0 53 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.694 33.7-110.9-111.0 162.5 8.3 94.3 2.5 26 47 A V H > S+ 0 0 12 1,-0.2 4,-3.2 -2,-0.2 5,-0.3 0.908 124.2 53.0 -54.5 -40.8 5.6 92.8 4.8 27 48 A D H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 105.2 54.8 -58.9 -39.4 3.3 93.3 1.8 28 49 A D H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.908 114.8 39.4 -59.1 -40.8 5.7 91.4 -0.3 29 50 A L H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.842 116.4 47.2 -82.5 -38.7 5.6 88.5 2.1 30 51 A A H X>S+ 0 0 0 -4,-3.2 5,-2.6 -5,-0.2 4,-1.1 0.948 113.3 51.8 -65.9 -46.0 1.9 88.6 2.9 31 52 A K H ><5S+ 0 0 175 -4,-2.7 3,-0.7 -5,-0.3 -2,-0.2 0.909 111.9 44.6 -54.5 -52.3 1.2 88.8 -0.9 32 53 A G H 3<5S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.8 51.7 -60.6 -32.8 3.5 85.8 -1.7 33 54 A A H 3<5S- 0 0 16 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.566 113.1-115.1 -88.1 -10.8 1.9 83.8 1.2 34 55 A G T <<5S+ 0 0 69 -4,-1.1 2,-0.3 -3,-0.7 -3,-0.2 0.839 78.7 107.5 82.8 35.2 -1.7 84.4 0.2 35 56 A I < - 0 0 27 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 -0.905 69.6-102.4-139.2 164.3 -2.6 86.5 3.3 36 57 A S > - 0 0 59 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.412 38.2-106.1 -82.8 165.1 -3.3 90.1 4.3 37 58 A R H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 3,-0.1 0.946 119.0 48.5 -58.7 -54.3 -0.8 92.3 6.0 38 59 A P H 4 S+ 0 0 96 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.848 108.7 55.7 -59.6 -28.3 -2.4 92.2 9.5 39 60 A T H >> S+ 0 0 42 2,-0.2 3,-1.4 1,-0.2 4,-1.0 0.906 104.4 54.1 -66.5 -43.3 -2.7 88.3 9.2 40 61 A F H >X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-1.4 0.949 102.7 58.6 -44.8 -50.7 1.2 88.3 8.6 41 62 A Y H 3< S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.607 95.8 62.3 -68.5 -9.0 1.4 90.2 11.8 42 63 A F H <4 S+ 0 0 163 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.878 113.1 33.9 -76.5 -41.0 -0.2 87.4 13.6 43 64 A Y H << S+ 0 0 43 -3,-1.4 -2,-0.2 -4,-1.0 -3,-0.1 0.826 129.5 21.8 -82.4 -36.5 2.6 85.0 12.7 44 65 A F < - 0 0 7 -4,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.998 55.3-149.1-140.1 139.0 5.6 87.4 12.8 45 66 A P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.612 83.9 -6.6 -73.9 -14.4 6.3 90.8 14.4 46 67 A S S > S- 0 0 32 -6,-0.1 4,-1.1 1,-0.1 3,-0.2 -0.982 71.0-100.1-170.4 163.5 8.6 91.9 11.6 47 68 A K H > S+ 0 0 44 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.827 121.8 60.0 -65.4 -28.4 10.4 90.9 8.5 48 69 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.816 99.8 54.7 -68.5 -34.1 13.5 90.5 10.7 49 70 A A H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.822 104.5 54.5 -67.8 -31.3 11.7 87.9 12.8 50 71 A V H X S+ 0 0 2 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.943 109.9 46.9 -66.4 -45.1 11.0 85.9 9.6 51 72 A L H X S+ 0 0 5 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.958 107.8 54.9 -58.3 -54.1 14.7 85.9 8.8 52 73 A L H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.894 110.0 48.1 -44.8 -48.2 15.7 84.8 12.3 53 74 A T H X S+ 0 0 36 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.912 110.7 49.7 -64.6 -43.7 13.3 81.8 12.0 54 75 A L H X S+ 0 0 12 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.936 114.2 45.4 -56.5 -48.3 14.7 80.8 8.5 55 76 A L H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.881 109.0 56.3 -62.2 -42.9 18.3 81.0 9.9 56 77 A D H X S+ 0 0 63 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.939 108.8 47.6 -53.6 -50.2 17.3 79.1 13.0 57 78 A R H X S+ 0 0 128 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.904 113.9 46.0 -59.2 -44.0 16.0 76.3 10.8 58 79 A V H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.908 113.6 48.6 -67.4 -44.9 19.2 76.2 8.6 59 80 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.916 114.4 46.5 -59.5 -46.5 21.6 76.3 11.6 60 81 A N H X S+ 0 0 46 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.880 109.6 53.2 -64.9 -37.7 19.6 73.5 13.3 61 82 A Q H X S+ 0 0 87 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.912 112.2 45.5 -64.4 -44.3 19.5 71.4 10.2 62 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 114.3 49.8 -64.1 -38.9 23.3 71.7 9.9 63 84 A D H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.935 111.5 46.4 -65.6 -46.0 23.7 70.9 13.6 64 85 A M H X S+ 0 0 108 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.921 111.6 52.2 -62.4 -45.8 21.4 67.8 13.5 65 86 A A H X S+ 0 0 38 -4,-2.0 4,-1.4 1,-0.2 3,-0.3 0.913 109.4 49.5 -54.4 -48.5 23.2 66.5 10.4 66 87 A L H X S+ 0 0 28 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.875 108.6 53.3 -57.7 -40.3 26.6 67.0 12.2 67 88 A Q H X S+ 0 0 87 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.808 101.9 59.6 -66.9 -29.8 25.2 65.0 15.3 68 89 A T H X S+ 0 0 78 -4,-1.8 4,-0.8 -3,-0.3 3,-0.3 0.917 110.1 41.8 -61.3 -48.1 24.2 62.1 12.9 69 90 A L H < S+ 0 0 64 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 108.6 61.3 -61.8 -33.1 27.9 61.7 11.9 70 91 A A H < S+ 0 0 38 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.776 107.1 44.5 -70.9 -25.7 28.9 62.2 15.5 71 92 A E H < S+ 0 0 149 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.650 104.5 74.8 -89.3 -20.6 27.0 59.1 16.5 72 93 A N < - 0 0 97 -4,-0.8 2,-0.5 -5,-0.1 -1,-0.1 -0.859 66.9-153.6-105.0 123.7 28.2 57.0 13.6 73 94 A P - 0 0 128 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.124 21.8-164.5 -88.0 37.9 31.8 55.7 13.6 74 95 A A - 0 0 74 -2,-0.5 2,-0.4 -5,-0.2 7,-0.0 0.125 24.0-117.8 -29.0 111.5 32.3 55.5 9.7 75 96 A D + 0 0 163 6,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.390 68.6 103.3 -67.0 111.0 35.3 53.3 8.9 76 97 A T - 0 0 70 -2,-0.4 2,-0.1 -3,-0.2 0, 0.0 -0.964 69.3 -68.5-173.2 171.5 37.8 55.6 7.0 77 98 A D > - 0 0 98 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.383 48.9-103.8 -80.1 163.9 41.0 57.6 7.2 78 99 A R H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.854 120.2 54.2 -49.5 -42.7 41.4 60.8 9.3 79 100 A E H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 107.3 48.2 -65.4 -43.1 41.2 62.9 6.1 80 101 A N H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 106.3 59.8 -63.7 -36.3 37.9 61.5 5.0 81 102 A M H X S+ 0 0 70 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.913 110.4 39.0 -59.1 -49.8 36.5 62.0 8.6 82 103 A W H X S+ 0 0 21 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.890 112.6 57.7 -69.9 -39.5 37.0 65.8 8.5 83 104 A R H X S+ 0 0 54 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.922 106.6 47.7 -55.2 -49.4 36.0 66.1 4.9 84 105 A T H X S+ 0 0 50 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.878 114.2 48.4 -65.1 -32.7 32.5 64.5 5.5 85 106 A G H >X S+ 0 0 13 -4,-1.3 4,-0.8 -5,-0.2 3,-0.7 0.937 112.1 45.5 -70.9 -51.5 32.1 66.8 8.5 86 107 A I H >X S+ 0 0 6 -4,-3.2 4,-2.0 1,-0.2 3,-1.2 0.930 108.1 62.5 -53.0 -43.1 33.1 70.0 6.7 87 108 A N H 3X S+ 0 0 55 -4,-2.9 4,-2.8 -5,-0.3 5,-0.3 0.791 90.4 65.6 -53.4 -34.8 30.8 68.7 3.9 88 109 A V H S+ 0 0 28 -3,-1.2 4,-1.9 -4,-0.8 5,-0.7 0.930 113.4 54.7 -79.1 -44.7 28.2 72.7 6.3 90 111 A F H X5S+ 0 0 34 -4,-2.0 4,-1.3 3,-0.2 -2,-0.2 0.905 117.2 39.1 -47.5 -48.1 29.2 73.0 2.6 91 112 A E H X5S+ 0 0 93 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.940 118.4 44.2 -76.9 -47.3 25.9 71.2 1.7 92 113 A T H ><5S+ 0 0 13 -4,-2.3 3,-0.6 -5,-0.3 -3,-0.2 0.971 123.5 33.7 -60.3 -62.2 23.5 72.7 4.3 93 114 A F H ><5S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.2 7,-0.3 0.878 116.8 56.8 -63.3 -38.5 24.5 76.3 4.0 94 115 A G H 3< S+ 0 0 36 -3,-1.5 4,-1.9 -4,-0.2 -1,-0.2 -0.407 70.2 151.3-146.0 55.8 20.4 77.8 1.5 97 118 A K H > S+ 0 0 56 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.839 72.4 50.8 -66.4 -36.5 22.7 80.6 0.1 98 119 A A H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.954 111.9 45.6 -67.8 -49.3 20.2 83.4 0.4 99 120 A V H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.889 115.4 50.1 -59.8 -38.3 19.3 82.7 4.0 100 121 A T H X S+ 0 0 2 -4,-1.9 4,-2.3 -7,-0.3 -2,-0.2 0.923 112.2 45.4 -67.2 -47.7 23.0 82.3 4.8 101 122 A R H X S+ 0 0 114 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.973 119.1 42.3 -58.6 -55.2 23.9 85.6 3.1 102 123 A A H X S+ 0 0 16 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.891 114.2 51.1 -59.4 -46.3 21.0 87.4 4.8 103 124 A G H < S+ 0 0 1 -4,-3.5 4,-0.3 -5,-0.2 -1,-0.2 0.870 110.1 50.0 -60.0 -39.1 21.6 85.8 8.2 104 125 A Q H >< S+ 0 0 42 -4,-2.3 3,-1.3 -5,-0.2 4,-0.3 0.937 112.3 46.1 -66.3 -46.0 25.3 86.7 8.1 105 126 A A H >< S+ 0 0 70 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.883 105.4 62.6 -63.5 -36.9 24.5 90.3 7.3 106 127 A A G >X S+ 0 0 12 -4,-2.5 4,-1.1 1,-0.3 3,-0.8 0.536 82.8 79.9 -65.3 -9.5 21.8 90.3 10.0 107 128 A R G <4 S+ 0 0 166 -3,-1.3 -1,-0.3 -4,-0.3 7,-0.2 0.824 90.5 54.3 -62.8 -30.4 24.5 89.6 12.7 108 129 A A G <4 S+ 0 0 75 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.544 118.6 29.0 -84.5 -11.0 25.4 93.3 12.6 109 130 A T T <4 S+ 0 0 126 -3,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.402 113.5 60.5-130.9 -4.9 21.9 94.7 13.3 110 131 A S X - 0 0 20 -4,-1.1 4,-2.6 1,-0.1 -1,-0.2 -0.946 51.6-165.6-139.1 110.1 20.2 92.0 15.4 111 132 A V H > S+ 0 0 110 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.775 95.4 57.3 -65.9 -25.5 21.4 90.7 18.8 112 133 A E H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 110.7 42.3 -69.4 -41.5 19.1 87.7 18.4 113 134 A V H > S+ 0 0 3 -7,-0.3 4,-2.3 2,-0.2 5,-0.2 0.904 115.7 49.8 -66.9 -44.0 20.8 86.7 15.1 114 135 A A H X S+ 0 0 35 -4,-2.6 4,-2.2 -8,-0.3 -2,-0.2 0.899 112.9 46.7 -60.7 -42.5 24.2 87.5 16.6 115 136 A E H X S+ 0 0 130 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.930 110.8 52.5 -63.9 -48.9 23.3 85.4 19.7 116 137 A L H X S+ 0 0 20 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.913 112.9 43.4 -53.9 -51.5 22.0 82.5 17.6 117 138 A W H X S+ 0 0 26 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.901 113.2 52.1 -61.5 -48.2 25.2 82.3 15.5 118 139 A S H X S+ 0 0 56 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.898 107.8 53.3 -52.1 -47.4 27.4 82.7 18.6 119 140 A T H X S+ 0 0 69 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.951 114.3 39.3 -57.4 -54.9 25.6 79.7 20.3 120 141 A F H X S+ 0 0 16 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.892 112.4 55.7 -68.3 -38.7 26.0 77.3 17.5 121 142 A M H X S+ 0 0 19 -4,-3.0 4,-2.4 -5,-0.2 5,-0.2 0.941 108.3 50.9 -56.4 -42.5 29.6 78.5 16.7 122 143 A Q H X S+ 0 0 126 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.950 112.1 46.4 -59.0 -45.8 30.4 77.7 20.4 123 144 A K H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 112.5 48.7 -58.9 -48.9 28.9 74.2 20.1 124 145 A W H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.898 112.5 48.3 -67.3 -39.5 30.6 73.3 16.8 125 146 A I H X S+ 0 0 15 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.936 109.9 52.1 -61.0 -46.7 34.0 74.5 18.1 126 147 A A H X S+ 0 0 50 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.931 111.4 47.3 -56.6 -47.3 33.6 72.5 21.4 127 148 A Y H X S+ 0 0 105 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.886 111.9 50.0 -62.4 -39.1 32.8 69.3 19.4 128 149 A T H X S+ 0 0 15 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.908 111.9 47.3 -64.8 -45.3 35.8 69.9 17.1 129 150 A A H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.869 108.9 55.8 -65.4 -38.8 38.1 70.4 20.0 130 151 A A H X S+ 0 0 49 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.873 110.6 45.2 -55.7 -39.8 36.6 67.2 21.6 131 152 A V H X S+ 0 0 30 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.930 111.3 50.3 -74.9 -45.3 37.5 65.2 18.5 132 153 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 110.8 52.3 -56.3 -43.0 41.1 66.7 18.2 133 154 A D H X S+ 0 0 71 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.929 108.5 49.0 -58.7 -46.4 41.5 65.8 21.9 134 155 A A H X S+ 0 0 49 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.925 110.2 51.9 -55.0 -50.6 40.4 62.2 21.2 135 156 A E H <>S+ 0 0 14 -4,-2.6 5,-2.6 2,-0.2 6,-1.2 0.877 111.0 47.7 -52.3 -43.1 42.9 62.0 18.3 136 157 A R H ><5S+ 0 0 17 -4,-2.2 3,-1.8 4,-0.2 -2,-0.2 0.949 108.4 54.4 -66.4 -46.8 45.6 63.2 20.6 137 158 A D H 3<5S+ 0 0 119 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.870 109.0 48.0 -49.3 -45.3 44.7 60.7 23.3 138 159 A R T 3<5S- 0 0 170 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.360 118.0-111.5 -84.9 6.3 45.0 57.8 20.8 139 160 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.675 87.7 117.7 72.4 20.3 48.3 59.0 19.5 140 161 A A S - 0 0 72 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.400 45.6-133.4 -48.4 129.6 45.7 74.2 22.6 147 168 A A H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.829 102.0 52.0 -64.4 -36.5 43.0 72.2 20.9 148 169 A H H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.850 112.0 47.2 -71.9 -33.6 40.2 74.7 21.6 149 170 A E H > S+ 0 0 132 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.895 114.3 46.8 -69.1 -44.4 42.2 77.6 20.2 150 171 A L H X S+ 0 0 11 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.923 112.4 50.1 -60.7 -45.7 43.1 75.5 17.1 151 172 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.899 108.3 54.7 -65.2 -35.4 39.5 74.5 16.7 152 173 A T H X S+ 0 0 44 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.962 110.6 42.8 -62.6 -53.2 38.4 78.2 17.0 153 174 A A H X S+ 0 0 62 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.832 113.7 52.0 -63.1 -36.8 40.6 79.5 14.2 154 175 A L H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.900 111.6 45.9 -68.8 -41.0 39.8 76.6 11.9 155 176 A N H X S+ 0 0 17 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.881 111.6 52.0 -69.4 -39.7 36.0 77.1 12.4 156 177 A L H X S+ 0 0 91 -4,-2.7 4,-2.3 -5,-0.2 5,-0.3 0.896 108.6 52.1 -57.2 -42.2 36.4 80.8 11.8 157 178 A M H X S+ 0 0 42 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.929 110.0 48.3 -54.6 -46.6 38.3 80.0 8.6 158 179 A N H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 5,-0.5 0.915 111.4 50.7 -65.4 -43.2 35.4 77.7 7.5 159 180 A E H X S+ 0 0 44 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.981 117.6 36.2 -55.9 -65.3 32.8 80.4 8.3 160 181 A R H X S+ 0 0 138 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.889 122.6 45.4 -53.7 -47.0 34.6 83.3 6.4 161 182 A T H X S+ 0 0 32 -4,-3.0 4,-2.0 -5,-0.3 12,-0.3 0.929 114.0 44.7 -72.5 -48.0 35.8 81.0 3.5 162 183 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 -5,-0.3 5,-0.2 0.955 117.5 46.6 -61.1 -47.7 32.7 79.0 2.8 163 184 A F H X S+ 0 0 21 -4,-2.3 4,-1.8 -5,-0.5 -2,-0.2 0.897 110.2 51.1 -66.6 -41.2 30.5 82.2 3.0 164 185 A A H <>S+ 0 0 8 -4,-2.5 5,-2.7 -5,-0.2 4,-0.3 0.882 111.7 50.2 -54.7 -41.8 32.8 84.3 0.7 165 186 A S H ><5S+ 0 0 6 -4,-2.0 3,-1.3 3,-0.2 10,-0.3 0.932 108.4 50.9 -65.2 -44.9 32.7 81.4 -1.8 166 187 A F H 3<5S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.860 114.0 43.8 -62.8 -37.5 28.9 81.1 -1.8 167 188 A A T 3<5S- 0 0 48 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.455 109.6-125.5 -83.3 -2.8 28.5 84.9 -2.4 168 189 A G T < 5 - 0 0 56 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.891 43.3-175.6 49.5 48.8 31.2 84.8 -5.0 169 190 A E < - 0 0 73 -5,-2.7 -1,-0.1 2,-0.1 -5,-0.0 -0.235 31.2 -95.6 -66.9 155.3 33.1 87.6 -3.2 170 191 A Q S S+ 0 0 189 1,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.960 116.3 32.9-108.5 112.7 36.3 89.0 -4.7 171 192 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.459 93.7 132.5 -84.5 150.0 38.6 87.5 -3.3 172 193 A S - 0 0 46 -4,-0.1 -11,-0.1 -2,-0.1 -10,-0.1 -0.990 57.7-108.7-155.8 162.6 37.2 84.0 -2.8 173 194 A V - 0 0 39 -2,-0.3 -5,-0.1 -12,-0.3 5,-0.1 -0.754 53.4-101.5 -85.3 131.8 38.1 80.4 -3.3 174 195 A P >> - 0 0 82 0, 0.0 3,-3.0 0, 0.0 4,-1.4 -0.368 27.5-121.0 -57.1 141.5 35.9 78.9 -6.1 175 196 A E H 3> S+ 0 0 72 -10,-0.3 4,-0.6 1,-0.3 3,-0.3 0.860 114.5 56.8 -54.7 -37.9 33.0 76.9 -4.7 176 197 A A H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.525 114.8 39.0 -68.8 -6.6 34.2 73.8 -6.6 177 198 A R H <> S+ 0 0 126 -3,-3.0 4,-2.0 2,-0.1 -2,-0.2 0.523 91.8 87.0-117.1 -15.0 37.7 74.2 -4.8 178 199 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 5,-0.3 0.862 85.1 52.4 -63.4 -37.0 36.6 75.2 -1.3 179 200 A L H X S+ 0 0 33 -4,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.962 112.9 44.2 -64.3 -51.3 36.1 71.7 0.2 180 201 A D H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.837 114.0 52.2 -56.8 -40.6 39.5 70.5 -0.9 181 202 A T H X S+ 0 0 42 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.971 112.6 42.5 -63.2 -55.8 41.1 73.7 0.3 182 203 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.898 113.1 52.8 -60.1 -43.3 39.6 73.6 3.8 183 204 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 -5,-0.3 5,-0.3 0.912 107.0 52.6 -64.0 -42.7 40.2 69.9 4.3 184 205 A H H X S+ 0 0 120 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.963 112.5 44.6 -51.8 -53.4 44.0 70.3 3.4 185 206 A I H X S+ 0 0 62 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.913 114.1 49.8 -63.1 -45.1 44.4 73.1 6.0 186 207 A W H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.962 114.5 43.1 -55.5 -54.3 42.4 71.2 8.7 187 208 A V H X S+ 0 0 14 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.919 116.3 46.1 -63.3 -44.5 44.4 67.9 8.2 188 209 A T H X S+ 0 0 67 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.903 117.2 44.1 -67.8 -39.8 47.9 69.5 8.0 189 210 A S H < S+ 0 0 38 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.849 118.9 42.3 -73.7 -33.3 47.2 71.8 11.0 190 211 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.3 -46,-0.2 0.929 129.3 26.4 -74.1 -43.7 45.6 69.0 13.2 191 212 A Y H < S+ 0 0 17 -4,-2.7 -3,-0.2 -5,-0.3 2,-0.2 0.624 95.5 107.3 -96.6 -15.5 48.1 66.2 12.3 192 213 A G < - 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