==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 30-AUG-10 2XPW . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.DALM,J.PROFT,G.J.PALM,W.HINRICHS . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 72.0 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 1 1 0 0 1 0 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 1 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 2 A S 0 0 103 0, 0.0 2,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-172.6 11.8 20.7 6.3 2 3 A R - 0 0 170 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.360 360.0-164.9 -61.5 137.0 9.4 22.4 8.7 3 4 A L + 0 0 29 4,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.282 36.9 132.6-123.6 42.4 10.1 26.1 9.5 4 5 A N S > S- 0 0 43 1,-0.1 4,-2.5 4,-0.0 5,-0.3 -0.513 75.3 -99.4 -77.1 165.4 8.0 26.9 12.5 5 6 A R H > S+ 0 0 147 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.917 123.5 53.6 -52.9 -46.7 10.0 28.7 15.2 6 7 A E H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 112.3 44.0 -58.4 -43.8 10.4 25.5 17.2 7 8 A S H > S+ 0 0 36 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.849 111.9 50.7 -73.3 -35.5 11.9 23.7 14.2 8 9 A V H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.941 114.5 46.5 -63.6 -44.5 14.2 26.6 13.1 9 10 A I H X S+ 0 0 8 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.879 111.4 51.9 -63.6 -38.9 15.4 26.7 16.7 10 11 A D H X S+ 0 0 67 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.946 112.2 44.8 -65.8 -43.8 15.8 23.0 16.8 11 12 A A H X S+ 0 0 9 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.892 112.4 51.1 -65.9 -40.6 17.9 23.0 13.6 12 13 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.884 110.5 50.1 -64.7 -36.4 20.1 25.9 14.7 13 14 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 110.6 48.7 -69.9 -39.2 20.8 24.2 18.0 14 15 A E H X S+ 0 0 95 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.952 114.3 46.6 -62.3 -45.4 21.8 21.0 16.3 15 16 A L H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.919 110.4 52.4 -64.2 -42.4 24.0 23.0 14.0 16 17 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 108.4 51.8 -56.5 -48.6 25.5 25.0 16.9 17 18 A N H < S+ 0 0 74 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.822 113.0 45.5 -62.6 -30.1 26.3 21.7 18.6 18 19 A E H < S+ 0 0 96 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.973 136.4 1.2 -75.2 -56.8 28.1 20.4 15.4 19 20 A T H X S- 0 0 61 -4,-2.5 4,-1.0 1,-0.2 3,-0.2 0.225 94.8-129.3-125.6 12.4 30.2 23.4 14.4 20 21 A G H >X - 0 0 0 -4,-2.5 3,-0.7 -5,-0.4 4,-0.6 0.009 53.4 -41.2 71.5-174.6 29.7 26.2 17.0 21 22 A I H >4 S+ 0 0 27 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.857 135.0 57.1 -59.1 -36.9 28.9 29.8 16.5 22 23 A D H 34 S+ 0 0 142 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.796 107.2 47.4 -67.8 -30.6 31.3 30.1 13.6 23 24 A G H << S+ 0 0 17 -4,-1.0 2,-1.8 -3,-0.7 -1,-0.3 0.523 85.2 97.0 -85.8 -3.1 29.5 27.4 11.7 24 25 A L << + 0 0 5 -3,-1.0 2,-0.2 -4,-0.6 -1,-0.1 -0.608 57.4 144.1 -87.1 76.4 26.1 28.9 12.3 25 26 A T > - 0 0 56 -2,-1.8 4,-2.8 1,-0.1 5,-0.3 -0.709 64.9-109.8-110.1 164.1 25.9 30.7 9.0 26 27 A T H > S+ 0 0 86 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 119.2 49.9 -61.5 -39.3 22.9 31.3 6.6 27 28 A R H > S+ 0 0 151 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.942 115.2 42.2 -65.3 -45.9 24.3 28.8 4.1 28 29 A K H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 116.1 46.9 -71.9 -34.9 24.8 26.1 6.6 29 30 A L H X S+ 0 0 3 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.918 113.3 50.4 -69.3 -43.2 21.6 26.7 8.4 30 31 A A H X>S+ 0 0 3 -4,-2.7 5,-2.3 -5,-0.3 4,-0.8 0.945 111.1 50.5 -56.9 -41.9 19.8 26.7 5.1 31 32 A Q H ><5S+ 0 0 129 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.935 108.7 49.5 -63.9 -44.6 21.5 23.5 4.1 32 33 A K H 3<5S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.878 114.8 45.2 -63.5 -34.8 20.6 21.7 7.4 33 34 A L H 3<5S- 0 0 4 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.542 111.1-123.7 -83.6 -8.5 17.0 22.8 6.9 34 35 A G T <<5S+ 0 0 65 -3,-1.2 2,-0.3 -4,-0.8 -3,-0.2 0.859 71.2 114.4 66.0 44.7 17.0 21.8 3.1 35 36 A I < - 0 0 32 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.2 -0.862 69.5 -98.0-135.5 167.1 16.0 25.3 1.9 36 37 A E > - 0 0 142 -2,-0.3 4,-2.0 -3,-0.1 3,-0.3 -0.480 39.1-110.1 -81.9 156.0 17.3 28.2 0.0 37 38 A Q H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 116.1 53.9 -61.1 -38.6 18.7 31.3 1.8 38 39 A P H > S+ 0 0 101 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.898 107.7 53.5 -68.7 -27.3 15.8 33.7 1.0 39 40 A T H > S+ 0 0 61 -3,-0.3 4,-1.0 1,-0.2 3,-0.3 0.949 109.5 47.5 -60.6 -48.7 13.5 31.1 2.5 40 41 A L H >X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 3,-0.9 0.907 106.2 58.6 -58.7 -47.0 15.6 31.1 5.6 41 42 A Y H 3< S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.844 96.3 61.5 -55.3 -39.4 15.6 34.9 5.8 42 43 A W H 3< S+ 0 0 188 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.889 115.1 35.5 -51.5 -41.9 11.8 35.0 5.9 43 44 A H H << S+ 0 0 72 -4,-1.0 2,-0.3 -3,-0.9 -2,-0.2 0.807 132.7 12.2 -85.6 -32.8 12.1 33.1 9.2 44 45 A V < + 0 0 28 -4,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.964 55.2 165.5-151.2 129.0 15.2 34.4 10.8 45 46 A K + 0 0 122 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.640 59.9 59.2-114.1 -24.0 17.2 37.5 9.8 46 47 A N > - 0 0 90 1,-0.1 4,-1.9 -5,-0.0 -1,-0.2 -0.979 60.0-150.8-128.8 122.3 19.5 38.4 12.5 47 48 A K H > S+ 0 0 88 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.876 99.2 51.9 -63.3 -41.1 22.3 36.2 13.9 48 49 A R H > S+ 0 0 98 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.864 107.2 52.7 -65.3 -38.4 22.2 37.7 17.4 49 50 A A H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.3 46.9 -63.0 -38.4 18.5 37.2 17.6 50 51 A L H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 112.4 49.2 -64.3 -47.6 19.0 33.5 16.7 51 52 A L H X S+ 0 0 10 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.916 110.0 52.3 -59.5 -41.1 21.8 33.2 19.3 52 53 A D H X S+ 0 0 65 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.936 109.4 49.4 -59.9 -44.9 19.6 34.9 21.9 53 54 A A H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.864 110.3 50.5 -62.1 -37.6 16.9 32.4 21.1 54 55 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.916 106.2 54.7 -68.1 -40.4 19.3 29.5 21.4 55 56 A A H X S+ 0 0 5 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.925 112.6 44.0 -58.5 -42.9 20.5 30.8 24.8 56 57 A V H X S+ 0 0 20 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.922 113.6 50.7 -64.8 -46.3 16.9 30.7 26.0 57 58 A E H X S+ 0 0 48 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.891 104.0 57.9 -62.0 -39.3 16.2 27.3 24.4 58 59 A I H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.914 110.9 42.5 -59.6 -46.3 19.2 25.6 26.0 59 60 A L H X S+ 0 0 20 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.895 110.9 55.9 -69.0 -35.9 18.0 26.6 29.5 60 61 A A H < S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.9 40.0 -60.0 -41.3 14.4 25.6 28.7 61 62 A R H < S+ 0 0 80 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.877 134.9 9.8 -72.9 -39.2 15.6 22.1 27.7 62 63 A H H < S+ 0 0 53 -4,-2.0 2,-1.2 -5,-0.2 -3,-0.2 0.415 91.4 98.8-135.9 2.4 18.2 21.3 30.2 63 64 A H < + 0 0 21 -4,-2.2 3,-0.3 -5,-0.3 22,-0.1 -0.753 44.2 168.1 -96.5 95.7 18.3 23.8 33.1 64 65 A D + 0 0 121 -2,-1.2 2,-0.8 1,-0.2 3,-0.3 0.778 60.1 57.3 -82.0 -26.0 16.3 21.8 35.6 65 66 A Y + 0 0 64 15,-0.2 -1,-0.2 1,-0.2 20,-0.2 -0.556 57.4 132.6-112.7 64.3 16.9 23.7 38.8 66 67 A S + 0 0 31 -2,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.732 66.7 46.3 -81.9 -26.0 15.7 27.2 38.0 67 68 A L S S- 0 0 78 -3,-0.3 2,-0.1 47,-0.0 -1,-0.1 -0.900 84.7-105.9-126.3 147.1 13.6 27.7 41.2 68 69 A P - 0 0 30 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.417 32.6-118.9 -68.7 144.6 14.0 27.0 45.0 69 70 A A > - 0 0 52 1,-0.2 3,-2.2 4,-0.1 2,-0.1 -0.326 51.0 -76.0 -67.4 157.9 12.3 24.1 46.7 70 71 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.433 121.1 6.0 -62.4 132.8 9.9 25.0 49.5 71 72 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.406 93.3 153.2 72.9 0.4 11.8 26.0 52.5 72 73 A E < - 0 0 23 -3,-2.2 -1,-0.2 1,-0.1 2,-0.1 -0.299 45.8-119.2 -67.1 137.3 15.1 25.7 50.6 73 74 A S > - 0 0 53 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.384 19.8-118.0 -68.5 155.5 17.9 27.9 52.0 74 75 A W H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 115.3 54.6 -63.2 -34.7 19.3 30.6 49.7 75 76 A Q H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 109.9 45.1 -64.6 -46.6 22.7 28.9 49.9 76 77 A S H > S+ 0 0 30 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.907 112.2 52.1 -66.9 -42.8 21.3 25.6 48.8 77 78 A F H X S+ 0 0 3 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.948 110.0 48.2 -55.3 -49.0 19.3 27.2 46.0 78 79 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.919 113.7 48.7 -62.5 -38.1 22.3 29.0 44.6 79 80 A R H X S+ 0 0 70 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.970 115.8 41.3 -61.2 -51.1 24.3 25.7 44.8 80 81 A N H X S+ 0 0 46 -4,-2.9 4,-2.0 1,-0.2 -15,-0.2 0.910 116.0 50.8 -66.4 -40.1 21.7 23.6 43.0 81 82 A N H X S+ 0 0 20 -4,-3.2 4,-2.7 -5,-0.3 -1,-0.2 0.894 110.3 49.1 -62.7 -41.4 20.9 26.4 40.5 82 83 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.907 109.7 50.4 -68.5 -43.7 24.6 26.8 39.7 83 84 A M H X S+ 0 0 55 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.912 114.0 46.3 -58.8 -41.6 25.1 23.1 39.1 84 85 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 111.2 50.9 -65.2 -45.6 22.1 23.0 36.9 85 86 A F H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.952 111.6 48.5 -59.1 -46.0 23.2 26.1 35.0 86 87 A R H X S+ 0 0 18 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.929 110.5 50.0 -58.2 -46.5 26.6 24.6 34.4 87 88 A R H X S+ 0 0 124 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.909 111.3 49.6 -62.1 -40.4 25.2 21.2 33.2 88 89 A A H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 4,-0.2 0.905 111.9 47.5 -65.1 -44.6 22.8 23.0 30.8 89 90 A L H >< S+ 0 0 2 -4,-2.5 3,-0.7 1,-0.2 7,-0.5 0.839 109.7 52.9 -68.9 -32.1 25.7 25.1 29.3 90 91 A L H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.665 90.2 81.3 -73.3 -12.8 28.0 22.1 28.9 91 92 A R T << S+ 0 0 124 -4,-0.8 2,-0.4 -3,-0.6 -1,-0.2 0.599 95.9 36.7 -72.5 -18.7 25.3 20.2 27.0 92 93 A Y S X S- 0 0 13 -3,-0.7 3,-2.1 -4,-0.2 4,-0.3 -0.999 92.0 -99.2-135.7 145.5 26.1 22.0 23.7 93 94 A R T 3 S+ 0 0 121 -2,-0.4 -73,-0.1 1,-0.3 -74,-0.1 -0.331 112.1 6.0 -54.7 135.8 29.2 23.2 21.9 94 95 A D T 3> S+ 0 0 13 1,-0.1 4,-2.6 -74,-0.1 -1,-0.3 0.649 87.9 136.6 61.1 18.0 29.4 27.0 22.5 95 96 A G H <> S+ 0 0 0 -3,-2.1 4,-1.4 -6,-0.4 -5,-0.1 0.916 74.7 42.6 -62.0 -46.6 26.5 26.9 24.9 96 97 A A H > S+ 0 0 0 -7,-0.5 4,-1.4 -4,-0.3 -1,-0.2 0.913 112.4 55.7 -64.0 -40.6 28.1 29.2 27.4 97 98 A K H 4 S+ 0 0 69 1,-0.2 3,-0.4 2,-0.2 -2,-0.2 0.907 104.7 51.2 -60.1 -42.8 29.4 31.3 24.6 98 99 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -43,-0.2 0.882 108.1 55.3 -62.4 -33.5 25.8 31.9 23.2 99 100 A H H >< S+ 0 0 36 -4,-1.4 3,-2.4 -5,-0.2 -1,-0.2 0.830 80.1 115.3 -66.5 -33.6 24.7 32.9 26.7 100 101 A L T 3< S- 0 0 77 -4,-1.4 3,-0.1 -3,-0.4 -45,-0.1 -0.118 87.4 -1.6 -54.7 130.2 27.3 35.7 27.2 101 102 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.346 95.0 135.0 74.1 -0.2 25.9 39.1 27.4 102 103 A T < - 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0 0 11 -5,-1.7 -1,-0.3 4,-0.1 -2,-0.1 -0.594 59.2-124.6 -77.3 141.9 19.5 40.4 50.7 125 126 A S > - 0 0 59 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.461 36.2-104.4 -64.6 160.7 18.7 43.8 49.3 126 127 A L H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 123.0 49.8 -54.8 -44.1 17.8 43.6 45.6 127 128 A R H > S+ 0 0 159 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 112.8 44.0 -65.2 -46.3 21.3 45.0 44.8 128 129 A D H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 113.3 51.6 -70.1 -33.8 23.2 42.5 47.0 129 130 A G H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.913 110.2 49.5 -65.8 -41.0 21.1 39.6 45.8 130 131 A L H X S+ 0 0 79 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 0.909 108.4 53.2 -61.9 -41.7 21.9 40.7 42.2 131 132 A Y H X S+ 0 0 127 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.891 111.4 46.2 -59.9 -39.7 25.6 40.9 43.0 132 133 A A H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.944 114.7 46.7 -69.4 -47.2 25.5 37.3 44.4 133 134 A I H X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.914 113.8 48.0 -59.9 -44.5 23.5 36.0 41.4 134 135 A S H X S+ 0 0 35 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.913 111.0 51.1 -65.1 -41.1 25.8 37.8 39.0 135 136 A A H X S+ 0 0 32 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.933 111.9 46.3 -62.3 -44.1 28.9 36.4 40.7 136 137 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.930 115.2 47.5 -61.9 -42.7 27.6 32.9 40.6 137 138 A S H X S+ 0 0 34 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.922 113.7 46.6 -63.5 -46.6 26.6 33.3 37.0 138 139 A H H X S+ 0 0 127 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.919 113.0 49.0 -65.4 -43.7 29.9 34.8 36.0 139 140 A F H X S+ 0 0 65 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.918 113.6 47.1 -55.6 -47.4 32.0 32.2 37.8 140 141 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.930 112.2 49.0 -66.0 -45.4 30.0 29.4 36.2 141 142 A L H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.939 112.7 48.2 -58.2 -46.1 30.2 30.9 32.7 142 143 A G H X S+ 0 0 37 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.902 111.3 49.5 -62.1 -44.7 33.9 31.4 33.0 143 144 A A H X S+ 0 0 30 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.929 113.4 46.3 -60.7 -43.7 34.5 27.9 34.3 144 145 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.933 112.9 49.1 -67.3 -46.3 32.4 26.3 31.5 145 146 A L H X S+ 0 0 26 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.896 110.6 48.7 -64.2 -39.2 34.0 28.3 28.8 146 147 A E H X S+ 0 0 157 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.933 113.7 48.2 -63.8 -40.7 37.6 27.6 29.9 147 148 A Q H X S+ 0 0 40 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.962 115.8 43.5 -59.4 -52.4 36.8 23.9 30.1 148 149 A Q H X S+ 0 0 29 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.913 115.8 46.7 -62.5 -50.9 35.1 23.8 26.7 149 150 A E H X S+ 0 0 77 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.889 109.8 52.8 -67.5 -36.7 37.7 25.9 24.9 150 151 A H H >< S+ 0 0 99 -4,-2.2 3,-0.5 -5,-0.3 4,-0.5 0.955 111.0 46.9 -60.5 -47.5 40.7 24.0 26.4 151 152 A T H >X S+ 0 0 82 -4,-2.1 3,-1.5 1,-0.2 4,-0.8 0.933 110.0 54.9 -60.3 -42.5 39.2 20.8 25.2 152 153 A A H 3X S+ 0 0 38 -4,-2.7 4,-0.9 1,-0.3 3,-0.3 0.782 104.4 54.0 -60.6 -29.8 38.5 22.3 21.7 153 154 A A H << S+ 0 0 21 -4,-1.5 4,-0.5 -3,-0.5 -1,-0.3 0.491 89.8 71.9 -91.2 -1.4 42.1 23.4 21.3 154 155 A L H <4 S+ 0 0 93 -3,-1.5 3,-0.5 -4,-0.5 -1,-0.2 0.865 100.9 50.4 -69.0 -39.7 43.6 19.9 21.9 155 156 A T H < S+ 0 0 119 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.1 0.904 109.7 48.4 -65.6 -45.1 42.2 19.2 18.5 156 157 A D S < S- 0 0 131 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.532 131.3 -19.3 -72.0 -12.1 43.7 22.4 16.9 157 158 A R - 0 0 143 -3,-0.5 -1,-0.2 -4,-0.5 2,-0.1 -0.793 68.7 -92.1 176.8 150.4 47.2 21.5 18.5 158 159 A P - 0 0 118 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.432 42.3-121.2 -63.5 150.9 49.2 19.6 21.1 159 160 A A - 0 0 75 1,-0.2 -5,-0.0 -2,-0.1 0, 0.0 0.989 53.0 -86.6 -58.0 -76.1 49.8 21.4 24.3 160 161 A A - 0 0 85 -3,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.944 52.3 -51.7-178.8-177.1 53.6 21.6 24.7 161 162 A P - 0 0 78 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.566 30.9-143.3 -77.7 152.3 56.6 19.7 26.0 162 163 A D S S+ 0 0 113 -2,-0.2 3,-0.3 1,-0.1 8,-0.0 0.603 86.9 80.5 -77.4 -14.9 56.7 18.4 29.6 163 164 A E S S+ 0 0 172 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.842 89.4 36.9 -70.2 -51.4 60.4 19.2 29.7 164 165 A N S S+ 0 0 137 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.487 87.2 119.0 -89.5 -4.5 60.9 22.9 30.4 165 166 A L - 0 0 42 -3,-0.3 -3,-0.0 -4,-0.2 0, 0.0 -0.360 65.5-122.2 -63.9 137.5 58.0 23.3 32.9 166 167 A P > - 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.1 -0.364 32.8-106.5 -71.4 162.5 58.7 24.3 36.4 167 168 A P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.846 111.0 46.4 -73.0 -39.2 57.5 21.9 39.0 168 169 A L H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.915 115.9 48.4 -68.3 -40.8 54.4 23.4 40.6 169 170 A L H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 108.6 54.3 -63.7 -43.0 53.0 24.3 37.2 170 171 A R H X S+ 0 0 101 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.942 112.9 42.8 -54.1 -50.1 53.8 20.8 36.0 171 172 A E H X S+ 0 0 110 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.871 111.3 55.0 -63.6 -36.8 51.7 19.4 39.0 172 173 A A H X S+ 0 0 42 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.905 107.1 49.4 -64.3 -38.9 49.0 21.9 38.5 173 174 A L H X S+ 0 0 64 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.866 111.0 51.0 -67.6 -34.7 48.5 20.9 34.9 174 175 A Q H X S+ 0 0 117 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.941 108.8 51.3 -65.0 -43.8 48.4 17.3 36.0 175 176 A I H >< S+ 0 0 99 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.940 114.1 44.7 -59.0 -44.6 45.7 18.2 38.6 176 177 A M H >< S+ 0 0 129 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.840 110.0 52.0 -71.6 -33.1 43.8 19.9 35.9 177 178 A D H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.684 100.1 67.9 -74.2 -12.9 44.1 17.2 33.3 178 179 A S T << S+ 0 0 88 -4,-1.2 2,-0.3 -3,-0.6 -1,-0.2 0.466 106.2 33.7 -85.3 -2.6 42.8 14.6 35.9 179 180 A D S < S- 0 0 61 -3,-0.9 0, 0.0 -4,-0.2 0, 0.0 -0.937 77.9-121.1-147.2 160.1 39.3 16.1 36.0 180 181 A D - 0 0 88 -2,-0.3 -4,-0.1 0, 0.0 -3,-0.0 0.590 69.4 -88.4 -78.2 -13.2 36.9 17.7 33.6 181 182 A G S > S+ 0 0 28 -34,-0.0 4,-2.2 -35,-0.0 5,-0.2 0.164 102.2 109.1 123.0 -13.5 36.6 20.9 35.7 182 183 A E H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 75.5 53.3 -66.4 -39.8 33.8 19.9 38.0 183 184 A Q H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 113.0 42.8 -61.2 -46.6 35.9 19.4 41.2 184 185 A A H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 113.8 54.3 -65.7 -41.1 37.4 22.9 40.9 185 186 A F H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.945 109.6 45.7 -56.2 -49.9 34.0 24.3 40.0 186 187 A L H X S+ 0 0 59 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.873 112.2 51.1 -65.6 -37.0 32.4 22.9 43.1 187 188 A H H X S+ 0 0 146 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.949 113.1 44.7 -64.6 -47.9 35.1 24.0 45.4 188 189 A G H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.867 108.2 59.0 -65.8 -33.7 35.0 27.6 44.1 189 190 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.935 106.0 47.5 -61.4 -43.6 31.2 27.5 44.3 190 191 A E H X S+ 0 0 78 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.909 110.6 52.0 -65.8 -40.1 31.3 26.8 48.0 191 192 A S H X S+ 0 0 75 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.942 111.2 48.1 -60.9 -43.5 33.9 29.6 48.5 192 193 A L H X S+ 0 0 47 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.947 112.3 47.4 -57.9 -53.4 31.6 32.0 46.7 193 194 A I H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.928 110.9 51.5 -58.8 -45.0 28.5 31.0 48.6 194 195 A R H X S+ 0 0 145 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.911 108.5 51.7 -63.5 -34.7 30.3 31.3 52.0 195 196 A G H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.914 107.5 51.9 -70.1 -38.1 31.6 34.7 51.2 196 197 A F H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.898 111.1 49.8 -56.0 -42.4 28.1 35.9 50.3 197 198 A E H X S+ 0 0 53 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.899 107.6 50.9 -64.8 -48.0 26.9 34.6 53.6 198 199 A V H X S+ 0 0 67 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.934 113.9 48.0 -57.5 -42.7 29.7 36.3 55.6 199 200 A Q H X S+ 0 0 106 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.928 113.3 45.2 -64.1 -45.6 28.6 39.5 53.9 200 201 A L H >< S+ 0 0 38 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.922 114.1 48.0 -63.9 -44.6 24.9 39.1 54.5 201 202 A T H 3< S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.764 99.5 68.4 -73.4 -25.5 25.3 38.1 58.2 202 203 A A H >< S+ 0 0 12 -4,-1.8 3,-2.8 -5,-0.3 -1,-0.2 0.790 71.3 172.5 -58.2 -31.7 27.7 41.0 58.9 203 204 A L T << S- 0 0 151 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 -0.340 76.2 -16.2 47.9-121.9 24.8 43.6 58.4 204 205 A L T 3 S+ 0 0 179 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.370 111.7 116.4 -90.6 6.2 26.5 47.0 59.5 205 206 A Q S < S- 0 0 149 -3,-2.8 2,-0.3 -4,-0.1 -3,-0.0 -0.517 77.4-106.6 -73.0 143.7 29.3 45.2 61.3 206 207 A I 0 0 167 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.508 360.0 360.0 -66.5 128.9 32.9 45.7 60.0 207 208 A V 0 0 128 -2,-0.3 -1,-0.2 -3,-0.0 -8,-0.0 0.529 360.0 360.0-139.0 360.0 33.8 42.5 58.4