==== 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 3G1L . 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) . 10542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 78.9 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 . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 65.5 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 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 76 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -91.4 -3.0 76.6 10.2 2 23 A D T 3> + 0 0 112 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.665 360.0 79.7 -71.1 -21.7 0.8 76.5 10.4 3 24 A D H 3> S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.695 89.3 56.6 -62.6 -21.1 0.9 76.2 6.5 4 25 A R H <> S+ 0 0 104 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.865 108.6 44.7 -72.3 -45.4 0.3 80.1 6.7 5 26 A E H > S+ 0 0 53 -4,-0.5 4,-2.4 2,-0.2 3,-0.2 0.962 115.3 47.9 -60.6 -52.1 3.4 80.5 8.8 6 27 A L H X S+ 0 0 88 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.854 110.0 53.5 -55.9 -38.4 5.3 78.1 6.5 7 28 A A H X S+ 0 0 30 -4,-1.4 4,-2.7 -5,-0.2 -1,-0.2 0.886 108.3 49.3 -64.9 -37.5 4.0 80.0 3.5 8 29 A I H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.2 -2,-0.2 0.925 112.3 48.3 -65.5 -44.1 5.3 83.3 4.9 9 30 A L H X S+ 0 0 10 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.947 112.5 47.9 -61.6 -48.5 8.7 81.6 5.5 10 31 A A H X S+ 0 0 50 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.902 111.6 50.5 -62.4 -45.0 8.8 80.2 1.9 11 32 A T H X S+ 0 0 17 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.938 111.3 48.9 -56.4 -47.5 7.8 83.6 0.5 12 33 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.950 111.5 47.9 -59.9 -49.6 10.6 85.3 2.5 13 34 A E H < S+ 0 0 55 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.927 113.9 49.1 -57.9 -46.7 13.2 82.8 1.4 14 35 A N H >< S+ 0 0 118 -4,-2.6 3,-1.2 1,-0.2 4,-0.5 0.914 112.3 46.1 -54.9 -51.3 12.0 83.2 -2.2 15 36 A L H >X S+ 0 0 41 -4,-2.7 4,-1.4 1,-0.3 3,-0.8 0.796 104.0 62.2 -70.2 -27.7 12.1 87.0 -2.2 16 37 A L T 3< S+ 0 0 8 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.598 89.9 72.1 -69.7 -12.4 15.5 87.2 -0.5 17 38 A E T <4 S+ 0 0 119 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.867 111.7 25.1 -71.0 -34.0 16.9 85.4 -3.6 18 39 A D T <4 S+ 0 0 152 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.579 129.8 17.0-111.1 -12.4 16.5 88.6 -5.7 19 40 A R S < S- 0 0 85 -4,-1.4 -1,-0.2 0, 0.0 5,-0.0 -0.992 79.5 -94.2-156.8 156.1 16.6 91.5 -3.2 20 41 A P > - 0 0 76 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.244 41.3-104.7 -69.9 160.2 17.6 92.4 0.4 21 42 A L G > S+ 0 0 32 1,-0.3 3,-2.0 2,-0.2 26,-0.0 0.866 120.1 61.7 -47.0 -41.9 15.2 92.3 3.4 22 43 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.764 103.3 48.2 -61.5 -29.0 15.2 96.1 3.3 23 44 A D G < S+ 0 0 103 -3,-1.7 2,-0.4 2,-0.1 -1,-0.3 0.242 99.9 82.6 -95.9 10.4 13.6 96.1 -0.2 24 45 A I < - 0 0 4 -3,-2.0 2,-0.3 -4,-0.2 23,-0.1 -0.942 69.0-153.7-112.2 136.6 11.0 93.5 0.8 25 46 A S > - 0 0 45 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.759 31.1-114.4-110.5 155.0 7.9 94.7 2.6 26 47 A V H > S+ 0 0 13 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.867 121.9 56.3 -46.9 -36.0 5.4 93.1 5.0 27 48 A D H > S+ 0 0 74 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.950 103.4 51.2 -63.7 -49.5 2.9 93.5 2.1 28 49 A D H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.903 113.5 45.8 -51.3 -45.7 5.2 91.6 -0.3 29 50 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.912 116.3 43.8 -66.6 -45.7 5.3 88.8 2.4 30 51 A A H X>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 4,-1.0 0.963 114.6 50.1 -61.5 -53.4 1.6 88.8 3.0 31 52 A K H ><5S+ 0 0 162 -4,-4.0 3,-1.4 1,-0.2 -2,-0.2 0.951 112.3 48.0 -49.4 -53.1 0.8 89.0 -0.7 32 53 A G H 3<5S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 113.0 46.6 -61.6 -34.0 3.2 86.1 -1.4 33 54 A A H 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.504 114.8-117.5 -86.0 -3.3 1.6 83.9 1.4 34 55 A G T <<5S+ 0 0 65 -3,-1.4 2,-0.3 -4,-1.0 -3,-0.2 0.900 76.2 112.7 71.5 39.9 -1.9 84.9 0.1 35 56 A I < - 0 0 25 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.893 68.9 -96.8-134.6 168.2 -2.9 86.6 3.4 36 57 A S > - 0 0 57 -2,-0.3 4,-2.1 -3,-0.1 3,-0.1 -0.437 36.2-108.4 -81.6 161.6 -3.6 90.2 4.5 37 58 A R H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.928 119.0 47.4 -51.7 -52.6 -1.1 92.5 6.1 38 59 A P H 4 S+ 0 0 98 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.845 107.7 56.7 -63.9 -30.6 -2.8 92.3 9.6 39 60 A T H >> S+ 0 0 39 1,-0.2 3,-1.6 2,-0.2 4,-0.8 0.928 103.2 55.9 -61.7 -42.8 -3.0 88.5 9.4 40 61 A F H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 3,-1.8 0.927 100.4 58.2 -49.4 -49.7 0.8 88.5 8.8 41 62 A Y H 3< S+ 0 0 96 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.641 97.2 62.4 -65.2 -13.1 1.2 90.4 12.1 42 63 A F H <4 S+ 0 0 165 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.810 113.0 34.3 -73.3 -33.2 -0.6 87.5 13.8 43 64 A Y H << S+ 0 0 51 -3,-1.8 -2,-0.2 -4,-0.8 -3,-0.1 0.793 132.0 15.7 -93.4 -36.5 2.3 85.2 12.8 44 65 A F < - 0 0 10 -4,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.999 56.3-147.2-139.1 141.4 5.3 87.6 13.0 45 66 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.686 86.9 2.8 -73.6 -16.2 5.8 91.0 14.6 46 67 A S > - 0 0 33 -6,-0.1 4,-0.8 1,-0.1 3,-0.2 -0.971 69.6-112.6-165.2 152.9 8.2 92.1 11.9 47 68 A K H > S+ 0 0 39 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 0.832 118.6 64.3 -64.2 -32.5 9.8 90.9 8.6 48 69 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 98.7 52.9 -55.1 -42.3 13.0 90.9 10.7 49 70 A A H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.786 104.5 55.6 -63.7 -29.9 11.4 88.2 12.8 50 71 A V H X S+ 0 0 1 -4,-0.8 4,-2.5 -3,-0.4 -2,-0.2 0.952 108.2 47.4 -67.5 -49.0 10.7 86.2 9.7 51 72 A L H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.894 110.2 52.9 -56.1 -44.8 14.4 86.3 8.7 52 73 A L H X S+ 0 0 47 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.934 109.8 48.0 -56.5 -48.3 15.4 85.2 12.3 53 74 A T H X S+ 0 0 36 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.925 112.0 49.7 -58.3 -46.6 13.1 82.3 12.1 54 75 A L H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 113.1 46.9 -58.5 -43.6 14.5 81.3 8.6 55 76 A L H X S+ 0 0 4 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.905 108.5 54.1 -68.9 -40.7 18.1 81.6 9.9 56 77 A D H X S+ 0 0 64 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.881 108.4 50.8 -57.7 -40.7 17.3 79.6 13.0 57 78 A R H X S+ 0 0 126 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.917 112.5 45.4 -63.0 -44.4 15.9 76.8 10.8 58 79 A V H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.938 114.1 48.8 -66.2 -49.2 19.1 76.8 8.6 59 80 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.908 112.8 46.9 -57.1 -46.5 21.4 76.9 11.6 60 81 A N H X S+ 0 0 49 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.862 109.3 55.3 -67.0 -32.4 19.6 74.0 13.4 61 82 A Q H X S+ 0 0 77 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.916 110.7 44.5 -63.0 -45.7 19.6 72.0 10.1 62 83 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 115.1 49.7 -60.4 -44.2 23.4 72.3 9.9 63 84 A D H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 111.7 46.6 -66.4 -44.1 23.6 71.5 13.6 64 85 A M H X S+ 0 0 103 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.891 110.2 53.9 -66.6 -38.9 21.4 68.4 13.4 65 86 A A H X S+ 0 0 37 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 109.9 47.9 -59.8 -45.2 23.3 67.2 10.3 66 87 A L H X S+ 0 0 16 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.897 108.1 55.1 -60.4 -40.7 26.6 67.5 12.4 67 88 A Q H X S+ 0 0 91 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.900 106.1 52.6 -57.3 -40.2 24.9 65.6 15.3 68 89 A T H X S+ 0 0 78 -4,-2.1 4,-2.0 2,-0.2 3,-0.2 0.918 110.9 44.9 -65.8 -46.3 24.1 62.7 12.9 69 90 A L H < S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.933 110.5 55.9 -55.8 -48.4 27.7 62.5 11.7 70 91 A A H < S+ 0 0 43 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.786 116.5 36.0 -56.5 -31.8 28.9 62.7 15.3 71 92 A E H < S+ 0 0 144 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.684 121.0 48.8 -93.3 -23.6 26.7 59.7 16.2 72 93 A N S < S- 0 0 103 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 -0.648 79.9-160.1-120.9 70.0 27.2 57.9 12.9 73 94 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.298 15.4-130.8 -57.2 118.5 31.1 57.8 12.2 74 95 A A - 0 0 58 -2,-0.2 2,-0.9 -5,-0.1 10,-0.0 -0.525 22.0-120.5 -67.7 134.8 32.0 57.1 8.5 75 96 A D S S+ 0 0 167 -2,-0.2 2,-0.3 6,-0.0 -1,-0.1 -0.709 73.5 94.3 -87.6 103.2 34.7 54.3 8.2 76 97 A T S S- 0 0 68 -2,-0.9 5,-0.1 0, 0.0 -2,-0.0 -0.956 76.4 -56.2 178.9 164.8 37.5 56.2 6.5 77 98 A D > - 0 0 101 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.144 52.6-103.0 -67.3 165.1 40.7 58.2 7.1 78 99 A R H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.845 120.3 56.1 -58.2 -36.4 41.1 61.3 9.3 79 100 A E H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 109.4 46.5 -62.7 -43.7 41.2 63.6 6.3 80 101 A N H > S+ 0 0 50 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.832 106.9 59.1 -66.2 -31.4 37.8 62.2 5.1 81 102 A M H X S+ 0 0 64 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.939 110.4 40.7 -63.2 -47.1 36.5 62.6 8.6 82 103 A W H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.905 113.1 55.4 -67.9 -40.1 37.1 66.3 8.7 83 104 A R H X S+ 0 0 55 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.896 105.3 52.2 -59.0 -42.7 35.9 66.7 5.0 84 105 A T H X S+ 0 0 41 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.894 112.1 46.1 -64.4 -38.9 32.6 65.1 5.8 85 106 A G H >X S+ 0 0 14 -4,-1.5 3,-0.8 2,-0.2 4,-0.8 0.913 112.5 47.6 -65.3 -49.7 32.0 67.5 8.8 86 107 A I H >X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 3,-1.0 0.914 105.5 63.0 -58.8 -39.8 33.0 70.7 6.9 87 108 A N H 3X S+ 0 0 54 -4,-2.6 4,-2.9 -5,-0.3 5,-0.4 0.774 90.1 66.0 -54.9 -31.1 30.7 69.4 4.1 88 109 A V H S+ 0 0 27 -3,-1.0 4,-1.9 -4,-0.8 5,-0.6 0.871 114.1 52.7 -78.5 -40.5 28.2 73.4 6.5 90 111 A F H X5S+ 0 0 31 -4,-1.9 4,-1.3 3,-0.2 -2,-0.2 0.934 118.5 36.8 -57.4 -51.2 29.1 73.7 2.7 91 112 A E H X5S+ 0 0 97 -4,-2.9 4,-1.8 3,-0.2 -2,-0.2 0.938 119.6 47.4 -68.1 -46.9 25.9 71.8 1.7 92 113 A T H <5S+ 0 0 10 -4,-2.4 3,-0.5 -5,-0.4 4,-0.3 0.985 123.7 30.0 -63.0 -58.2 23.6 73.3 4.4 93 114 A F H ><5S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.2 7,-0.3 0.852 118.1 58.0 -69.7 -34.1 24.5 76.9 4.0 94 115 A G H >< + 0 0 42 -3,-1.1 4,-2.1 -4,-0.3 -1,-0.2 -0.459 68.9 151.4-133.6 56.9 20.3 78.3 1.5 97 118 A K H <> S+ 0 0 56 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.876 72.0 50.5 -60.0 -41.0 22.5 81.2 0.1 98 119 A A H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.949 112.7 45.4 -68.2 -46.4 19.9 83.9 0.4 99 120 A V H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.893 114.5 50.9 -60.9 -39.8 19.1 83.1 4.0 100 121 A T H X S+ 0 0 8 -4,-2.1 4,-1.9 -7,-0.3 -2,-0.2 0.926 112.7 44.7 -63.3 -50.6 22.8 82.9 4.7 101 122 A R H X S+ 0 0 112 -4,-2.9 4,-2.2 2,-0.2 3,-0.4 0.987 117.6 44.2 -54.0 -62.0 23.5 86.3 3.0 102 123 A A H X S+ 0 0 16 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.846 113.4 50.0 -56.3 -43.7 20.6 88.0 4.8 103 124 A G H X S+ 0 0 2 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.3 0.815 108.2 53.5 -67.2 -36.1 21.3 86.5 8.2 104 125 A Q H >< S+ 0 0 91 -4,-1.9 3,-0.8 -3,-0.4 4,-0.4 0.933 110.9 47.1 -59.5 -47.6 25.0 87.5 8.0 105 126 A A H >< S+ 0 0 55 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.903 105.9 59.1 -61.9 -42.1 23.9 91.1 7.3 106 127 A A H >X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.3 3,-0.6 0.666 85.1 78.4 -66.8 -16.6 21.3 91.0 10.2 107 128 A R T << S+ 0 0 87 -4,-0.8 -1,-0.3 -3,-0.8 7,-0.2 0.837 92.2 54.0 -57.5 -33.3 24.1 90.3 12.8 108 129 A A T <4 S+ 0 0 93 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.791 122.1 26.0 -67.5 -32.5 25.0 94.0 12.6 109 130 A T T <4 S+ 0 0 129 -3,-0.6 2,-0.5 -4,-0.4 -2,-0.2 0.578 113.2 62.4-116.0 -11.9 21.4 95.2 13.3 110 131 A S X - 0 0 23 -4,-2.6 4,-2.3 1,-0.1 -1,-0.2 -0.961 52.5-165.0-122.1 116.9 19.7 92.5 15.3 111 132 A V H > S+ 0 0 104 -2,-0.5 4,-2.0 2,-0.2 -1,-0.1 0.737 95.4 57.0 -66.7 -22.4 20.9 91.3 18.8 112 133 A E H > S+ 0 0 105 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.952 109.1 43.6 -70.6 -50.2 18.8 88.2 18.4 113 134 A V H > S+ 0 0 2 -7,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 114.4 50.9 -61.2 -42.9 20.5 87.2 15.1 114 135 A A H X S+ 0 0 34 -4,-2.3 4,-2.6 -8,-0.3 -1,-0.2 0.923 112.2 46.5 -59.5 -44.2 23.9 88.0 16.6 115 136 A E H X S+ 0 0 133 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.838 110.8 52.6 -70.4 -34.4 23.2 85.9 19.7 116 137 A L H X S+ 0 0 22 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.959 112.3 44.7 -63.6 -50.7 21.9 83.0 17.5 117 138 A W H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.946 114.1 50.7 -57.7 -46.2 25.0 83.0 15.4 118 139 A S H X S+ 0 0 54 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.921 108.4 52.0 -58.1 -47.7 27.2 83.3 18.6 119 140 A T H X S+ 0 0 75 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.924 113.2 42.3 -56.8 -50.5 25.5 80.4 20.4 120 141 A F H X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.890 110.6 56.2 -70.0 -34.8 25.9 77.9 17.5 121 142 A M H X S+ 0 0 18 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.896 106.9 50.6 -61.0 -40.7 29.5 79.0 16.8 122 143 A Q H X S+ 0 0 122 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.926 111.3 49.3 -62.2 -42.8 30.4 78.2 20.4 123 144 A K H X S+ 0 0 90 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 113.9 44.2 -58.9 -47.8 28.7 74.8 20.0 124 145 A W H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.885 114.4 48.9 -69.9 -39.2 30.6 74.1 16.7 125 146 A I H X S+ 0 0 13 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.915 111.6 50.3 -63.7 -41.9 34.0 75.3 18.1 126 147 A A H X S+ 0 0 49 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.894 112.6 46.5 -66.6 -38.1 33.5 73.2 21.2 127 148 A Y H X S+ 0 0 91 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 111.1 51.7 -71.3 -45.6 32.7 70.1 19.1 128 149 A T H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.926 111.4 47.8 -46.2 -49.0 35.7 70.8 16.8 129 150 A A H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.879 108.0 55.2 -68.0 -37.1 38.0 71.1 19.9 130 151 A A H X S+ 0 0 54 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.909 110.0 46.6 -63.7 -40.0 36.6 67.9 21.4 131 152 A V H X S+ 0 0 22 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 111.2 50.0 -66.3 -50.5 37.4 66.0 18.2 132 153 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 112.2 50.3 -51.5 -47.5 41.0 67.5 18.1 133 154 A D H X S+ 0 0 67 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.891 107.7 52.0 -56.7 -45.1 41.3 66.4 21.7 134 155 A A H X S+ 0 0 50 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.943 111.3 48.5 -55.1 -48.6 40.1 62.9 20.9 135 156 A E H <>S+ 0 0 13 -4,-2.5 5,-2.2 2,-0.2 6,-1.5 0.847 111.9 47.7 -61.3 -40.5 42.8 62.8 18.1 136 157 A R H ><5S+ 0 0 20 -4,-2.3 3,-1.4 4,-0.2 -1,-0.2 0.917 108.9 55.4 -65.3 -42.1 45.5 64.0 20.4 137 158 A D H 3<5S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.826 108.2 47.6 -62.7 -38.0 44.4 61.4 23.1 138 159 A R T 3<5S- 0 0 163 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.438 118.1-111.4 -84.7 1.0 44.8 58.5 20.6 139 160 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.593 90.7 109.6 82.5 11.7 48.3 59.8 19.5 140 161 A A S - 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.396 46.0-132.1 -47.5 125.6 45.5 74.9 22.7 147 168 A A H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.842 103.1 52.9 -59.0 -40.4 42.8 72.9 20.9 148 169 A H H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 110.5 47.8 -64.8 -39.8 40.0 75.4 21.7 149 170 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 112.9 47.2 -66.2 -43.5 42.0 78.3 20.2 150 171 A L H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.934 112.1 52.2 -61.5 -45.2 42.9 76.4 17.0 151 172 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.910 107.6 51.7 -57.7 -45.7 39.2 75.3 16.8 152 173 A T H X S+ 0 0 43 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.945 111.1 46.1 -57.5 -52.0 38.1 78.9 17.0 153 174 A A H X S+ 0 0 59 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.927 113.8 48.9 -59.3 -44.9 40.4 80.2 14.3 154 175 A L H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.910 112.9 47.5 -63.8 -39.9 39.4 77.2 11.9 155 176 A N H X S+ 0 0 14 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.920 112.8 48.0 -68.6 -44.3 35.7 77.8 12.5 156 177 A L H X S+ 0 0 87 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.891 109.9 53.6 -60.5 -39.5 36.0 81.6 11.9 157 178 A M H X S+ 0 0 43 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.936 109.9 47.3 -58.0 -48.7 38.0 80.8 8.8 158 179 A N H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.904 110.3 52.9 -62.8 -42.8 35.2 78.6 7.5 159 180 A E H X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.987 117.2 36.4 -51.1 -61.5 32.5 81.2 8.3 160 181 A R H X S+ 0 0 136 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.865 120.8 45.9 -63.4 -37.4 34.3 83.9 6.4 161 182 A T H X S+ 0 0 34 -4,-2.6 4,-2.1 -5,-0.3 12,-0.3 0.950 113.8 46.2 -81.1 -43.8 35.6 81.8 3.5 162 183 A L H X S+ 0 0 4 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.945 115.4 46.9 -58.0 -47.2 32.4 79.8 2.8 163 184 A F H X S+ 0 0 24 -4,-2.1 4,-2.3 -5,-0.4 6,-0.2 0.910 110.8 50.9 -69.8 -38.9 30.3 82.9 2.9 164 185 A A H X>S+ 0 0 7 -4,-2.1 5,-2.5 -5,-0.2 4,-0.7 0.893 113.7 47.2 -59.1 -39.9 32.7 84.9 0.6 165 186 A S H ><5S+ 0 0 5 -4,-2.1 3,-0.9 3,-0.2 10,-0.3 0.951 111.0 48.8 -69.3 -48.4 32.6 82.0 -1.8 166 187 A F H 3<5S+ 0 0 17 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.902 116.7 43.9 -58.5 -44.3 28.7 81.6 -1.8 167 188 A A H 3<5S- 0 0 49 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.604 107.7-128.3 -71.6 -15.7 28.4 85.4 -2.4 168 189 A G T <<5 - 0 0 50 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.858 42.9-178.7 61.0 35.6 31.1 85.4 -5.0 169 190 A E < - 0 0 58 -5,-2.5 -1,-0.1 -6,-0.2 -5,-0.0 -0.158 34.2 -91.3 -54.4 154.5 32.9 88.2 -3.1 170 191 A Q S S+ 0 0 186 1,-0.3 2,-0.1 0, 0.0 -1,-0.1 -0.967 118.5 30.4-110.2 113.8 36.1 89.7 -4.5 171 192 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.571 91.6 128.8 -86.2 159.7 38.2 88.1 -3.3 172 193 A S - 0 0 44 -4,-0.1 -11,-0.1 -2,-0.1 -10,-0.1 -0.959 58.8-104.8-160.6 154.8 36.9 84.6 -2.6 173 194 A V - 0 0 38 -2,-0.3 -5,-0.2 -12,-0.3 5,-0.1 -0.663 55.2 -95.1 -74.6 139.4 37.9 81.0 -3.3 174 195 A P >> - 0 0 82 0, 0.0 3,-2.3 0, 0.0 4,-1.0 -0.317 32.2-120.9 -53.6 140.1 35.8 79.6 -6.2 175 196 A E H >> S+ 0 0 72 -10,-0.3 3,-0.7 1,-0.3 4,-0.6 0.868 113.9 55.9 -53.7 -37.3 32.8 77.7 -4.8 176 197 A A H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.498 114.9 39.0 -74.2 -2.7 34.0 74.5 -6.6 177 198 A R H <> S+ 0 0 127 -3,-2.3 4,-1.6 2,-0.1 -1,-0.2 0.424 91.8 86.6-118.9 -9.4 37.4 74.8 -4.8 178 199 A V H S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.826 112.9 54.7 -60.1 -36.7 39.2 71.1 -0.7 181 202 A T H X S+ 0 0 40 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.960 112.8 41.4 -63.4 -50.6 40.9 74.5 0.3 182 203 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.913 112.8 53.3 -66.1 -43.6 39.3 74.3 3.8 183 204 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.2 5,-0.3 0.927 107.6 52.0 -62.1 -42.8 40.0 70.6 4.3 184 205 A H H X S+ 0 0 119 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.917 111.7 46.0 -56.3 -45.7 43.7 71.1 3.5 185 206 A I H X S+ 0 0 61 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.896 114.4 47.8 -69.3 -38.7 44.1 73.9 6.0 186 207 A W H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.967 114.9 44.9 -63.4 -54.8 42.2 71.9 8.8 187 208 A V H X S+ 0 0 21 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.933 115.7 45.2 -59.7 -49.7 44.1 68.7 8.2 188 209 A T H X S+ 0 0 66 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.906 117.2 45.0 -61.9 -41.5 47.6 70.3 8.0 189 210 A S H < S+ 0 0 38 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.813 117.3 44.3 -72.8 -31.1 47.0 72.5 11.0 190 211 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.917 127.6 26.9 -78.3 -42.8 45.5 69.8 13.1 191 212 A Y H < S+ 0 0 22 -4,-2.8 2,-0.2 -5,-0.3 -2,-0.2 0.604 93.1 113.5 -99.6 -11.2 48.0 67.0 12.3 192 213 A G < - 0 0 25 -4,-1.8 -4,-0.0 -5,-0.3 -51,-0.0 -0.414 41.0-172.8 -74.0 127.3 51.1 69.1 11.5 193 214 A E 0 0 132 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.880 360.0 360.0 -76.4 -44.6 54.1 68.9 13.8 194 215 A N 0 0 208 -3,-0.1 -1,-0.3 -6,-0.0 -3,-0.0 -0.898 360.0 360.0-146.1 360.0 55.5 71.8 11.7