==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-JUL-12 4B1R . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.ELTSCHKNER,G.J.PALM,J.SCHNEIDER,W.HINRICHS . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 73.7 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 . 18 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 62.6 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 0 1 2 0 1 0 0 0 0 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 1 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 2 A S 0 0 105 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-170.4 11.1 20.8 6.8 2 3 A R - 0 0 167 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.453 360.0-170.0 -67.1 133.5 9.1 22.6 9.5 3 4 A L + 0 0 23 -2,-0.2 -1,-0.1 4,-0.1 2,-0.1 -0.069 37.3 130.3-117.3 30.4 10.2 26.2 10.1 4 5 A N S > S- 0 0 50 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.462 76.3 -99.6 -70.0 163.0 8.3 27.2 13.2 5 6 A R H > S+ 0 0 147 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 122.1 52.9 -52.0 -47.5 10.5 28.8 15.9 6 7 A E H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 112.4 44.6 -57.7 -47.3 10.9 25.6 17.9 7 8 A S H > S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.834 111.6 52.0 -66.0 -40.5 12.1 23.6 14.8 8 9 A V H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 112.8 46.1 -61.2 -45.0 14.4 26.3 13.6 9 10 A I H X S+ 0 0 6 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.921 109.0 54.7 -68.6 -41.4 16.0 26.4 17.1 10 11 A D H X S+ 0 0 65 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.881 111.9 44.3 -54.7 -44.5 16.3 22.7 17.4 11 12 A A H X S+ 0 0 10 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.892 112.3 52.0 -71.2 -36.7 18.2 22.6 14.1 12 13 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.891 110.1 48.2 -67.3 -41.5 20.4 25.5 15.1 13 14 A L H X S+ 0 0 4 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.885 111.5 50.7 -63.5 -38.9 21.3 23.8 18.4 14 15 A E H X S+ 0 0 107 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.914 111.8 47.1 -64.3 -41.5 22.1 20.7 16.6 15 16 A L H X S+ 0 0 6 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.879 106.3 58.9 -67.4 -39.1 24.2 22.7 14.1 16 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.885 105.4 48.9 -59.2 -39.1 26.0 24.4 17.0 17 18 A N H < S+ 0 0 73 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.6 45.2 -67.0 -37.3 27.1 21.1 18.3 18 19 A E H < S+ 0 0 99 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.838 131.0 17.0 -67.8 -41.9 28.4 20.2 14.9 19 20 A T H X S- 0 0 31 -4,-2.9 4,-0.5 1,-0.1 -3,-0.2 0.679 93.2-128.0-110.6 -20.9 30.1 23.4 14.1 20 21 A G H X - 0 0 0 -4,-2.6 4,-0.8 -5,-0.4 -1,-0.1 -0.118 43.5 -72.1 74.6 169.5 30.7 25.5 17.1 21 22 A I H 4 S+ 0 0 18 2,-0.2 3,-0.5 1,-0.2 -1,-0.1 0.893 130.8 51.6 -65.9 -45.6 29.7 29.1 17.4 22 23 A D H 4 S+ 0 0 136 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.869 116.7 42.5 -63.8 -38.4 32.3 30.6 15.0 23 24 A G H < S+ 0 0 21 -4,-0.5 2,-0.3 -7,-0.1 -1,-0.3 0.502 88.2 105.2 -89.0 -8.5 31.3 28.1 12.4 24 25 A L < + 0 0 0 -4,-0.8 2,-0.3 -3,-0.5 3,-0.1 -0.595 48.8 166.1 -65.8 131.0 27.6 28.3 12.9 25 26 A T > - 0 0 46 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.994 49.5-120.8-145.7 152.5 26.1 30.4 10.0 26 27 A T H > S+ 0 0 42 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.919 113.5 60.2 -58.3 -40.8 22.6 31.0 8.5 27 28 A R H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 108.7 42.2 -49.1 -50.5 23.8 29.5 5.2 28 29 A K H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.822 109.9 57.2 -71.7 -32.8 24.6 26.1 6.9 29 30 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.947 104.8 52.1 -61.8 -44.2 21.4 26.3 8.9 30 31 A A H <>S+ 0 0 2 -4,-2.4 5,-2.5 2,-0.2 4,-0.2 0.917 110.8 48.7 -52.7 -48.2 19.4 26.5 5.6 31 32 A Q H ><5S+ 0 0 137 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.930 108.2 52.2 -61.2 -48.8 21.2 23.4 4.3 32 33 A K H 3<5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.895 114.1 44.7 -54.2 -38.5 20.5 21.5 7.5 33 34 A L T 3<5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.350 111.6-120.0 -90.5 4.1 16.8 22.4 7.1 34 35 A G T < 5S+ 0 0 70 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.2 0.800 72.9 118.5 62.8 33.2 16.7 21.6 3.3 35 36 A I < - 0 0 28 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.853 67.5-102.4-127.6 167.0 15.7 25.1 2.4 36 37 A E >> - 0 0 142 -2,-0.3 4,-1.9 -3,-0.1 3,-0.6 -0.504 36.8-112.1 -85.9 153.2 17.0 28.1 0.4 37 38 A Q H 3> S+ 0 0 76 1,-0.3 4,-2.3 2,-0.2 3,-0.1 0.884 115.5 53.1 -60.6 -45.1 18.6 31.0 2.1 38 39 A P H 3> S+ 0 0 100 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.818 107.3 54.1 -61.1 -28.5 15.8 33.5 1.3 39 40 A T H <> S+ 0 0 65 -3,-0.6 4,-0.9 2,-0.2 3,-0.3 0.931 109.3 47.6 -66.8 -43.2 13.3 31.1 2.8 40 41 A L H >X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 3,-1.0 0.924 103.8 62.7 -62.4 -42.2 15.4 31.0 6.0 41 42 A Y H 3< S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 94.3 60.3 -52.7 -40.0 15.6 34.8 6.0 42 43 A W H 3< S+ 0 0 192 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.904 119.4 29.6 -51.5 -42.0 11.8 35.1 6.4 43 44 A H H << S+ 0 0 73 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.784 132.2 27.3 -88.1 -38.2 12.2 33.2 9.7 44 45 A V < - 0 0 17 -4,-2.6 -1,-0.3 -5,-0.1 3,-0.1 -0.963 62.6-164.1-137.7 113.0 15.6 34.2 10.9 45 46 A K - 0 0 100 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.781 64.4 -27.3 -77.9 -34.8 17.0 37.5 9.8 46 47 A N > - 0 0 80 1,-0.1 4,-1.8 -20,-0.0 -1,-0.2 -0.955 69.5 -82.8-163.3 177.1 20.7 37.0 10.6 47 48 A K H > S+ 0 0 65 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.876 120.9 58.6 -58.4 -39.8 23.2 35.2 12.8 48 49 A R H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 106.5 46.9 -60.9 -43.5 22.8 37.7 15.7 49 50 A A H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 112.4 51.6 -63.9 -42.4 19.1 37.0 16.0 50 51 A L H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.952 111.9 45.4 -54.1 -52.5 19.8 33.3 15.9 51 52 A L H X S+ 0 0 16 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.858 110.3 53.6 -63.8 -41.4 22.3 33.5 18.7 52 53 A D H X S+ 0 0 72 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.919 112.2 45.8 -55.9 -48.4 20.1 35.7 20.8 53 54 A A H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.864 110.3 53.3 -65.6 -39.4 17.4 33.1 20.5 54 55 A L H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.935 105.7 53.5 -62.9 -44.0 19.8 30.2 21.2 55 56 A A H X S+ 0 0 3 -4,-2.5 4,-1.4 43,-0.2 -1,-0.2 0.907 111.4 46.4 -51.4 -48.1 21.0 31.8 24.4 56 57 A V H X S+ 0 0 9 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.959 115.8 44.7 -63.2 -45.5 17.4 32.1 25.6 57 58 A E H X S+ 0 0 33 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.862 103.3 62.1 -73.9 -34.8 16.6 28.6 24.6 58 59 A I H X S+ 0 0 1 -4,-3.5 4,-2.1 1,-0.2 5,-0.3 0.942 115.0 36.0 -48.0 -49.7 19.7 26.9 26.0 59 60 A L H X S+ 0 0 30 -4,-1.4 4,-2.2 3,-0.2 -2,-0.2 0.897 115.8 52.5 -74.5 -45.3 18.5 28.2 29.5 60 61 A A H < S+ 0 0 50 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 118.7 38.2 -55.8 -45.0 14.8 27.7 29.0 61 62 A R H < S+ 0 0 73 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 136.4 13.4 -73.6 -36.8 15.4 24.1 27.9 62 63 A H H < S+ 0 0 39 -4,-2.1 2,-1.6 -5,-0.4 -3,-0.2 0.654 96.3 88.5-126.1 -19.3 18.2 23.2 30.3 63 64 A H < + 0 0 19 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.1 -0.656 49.0 164.3 -85.2 83.7 18.6 25.7 33.2 64 65 A D + 0 0 134 -2,-1.6 2,-0.3 1,-0.2 3,-0.3 0.558 58.3 65.4 -86.4 -7.3 16.1 24.0 35.4 65 66 A Y + 0 0 66 1,-0.2 -1,-0.2 16,-0.2 20,-0.2 -0.431 57.8 130.0-112.1 58.7 17.0 25.6 38.8 66 67 A S + 0 0 29 -3,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 0.812 66.2 45.3 -76.4 -32.2 16.0 29.2 37.9 67 68 A L S S- 0 0 81 -3,-0.3 -1,-0.1 47,-0.0 45,-0.0 -0.882 87.3-104.8-121.1 145.4 13.9 29.7 41.0 68 69 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.303 36.5-117.0 -58.8 144.3 14.4 29.0 44.8 69 70 A A > - 0 0 50 4,-0.1 3,-1.7 1,-0.1 2,-0.1 -0.494 47.8 -78.1 -74.3 153.8 12.5 26.2 46.3 70 71 A A T 3 S+ 0 0 109 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.361 119.5 6.5 -47.5 124.2 10.0 27.0 49.0 71 72 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.218 94.5 149.6 86.3 -14.0 11.9 27.7 52.3 72 73 A E < - 0 0 24 -3,-1.7 -1,-0.2 1,-0.1 2,-0.1 -0.182 46.8-119.6 -59.9 139.2 15.3 27.5 50.6 73 74 A S > - 0 0 53 1,-0.1 4,-3.1 4,-0.0 -4,-0.1 -0.387 19.8-119.6 -70.7 154.7 18.2 29.5 52.0 74 75 A W H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.864 115.1 56.1 -65.3 -31.6 19.8 32.1 49.7 75 76 A Q H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 111.0 43.2 -60.6 -47.9 23.1 30.2 50.1 76 77 A S H > S+ 0 0 31 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.905 112.6 52.7 -68.0 -43.6 21.5 27.1 48.9 77 78 A F H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.953 109.4 48.2 -56.4 -53.2 19.7 28.9 46.1 78 79 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.880 113.8 48.6 -54.8 -40.7 22.9 30.5 44.8 79 80 A R H X S+ 0 0 72 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.961 115.7 42.2 -63.4 -53.8 24.7 27.1 44.9 80 81 A N H X S+ 0 0 43 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.833 115.0 51.0 -62.8 -32.2 21.9 25.3 43.1 81 82 A N H X S+ 0 0 11 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.898 110.1 49.1 -74.0 -41.8 21.4 28.1 40.7 82 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.915 111.2 49.3 -63.5 -39.8 25.1 28.2 39.8 83 84 A M H X S+ 0 0 65 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.914 113.0 47.8 -69.3 -41.2 25.2 24.4 39.3 84 85 A S H X S+ 0 0 16 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.956 112.1 48.4 -59.4 -52.3 22.2 24.6 37.0 85 86 A F H X S+ 0 0 22 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 112.1 49.9 -52.9 -47.3 23.5 27.5 35.0 86 87 A R H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.909 110.2 49.9 -63.6 -49.4 26.9 25.7 34.6 87 88 A R H X S+ 0 0 158 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.889 110.8 49.7 -50.8 -48.0 25.2 22.5 33.4 88 89 A A H >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.892 111.1 48.5 -65.7 -39.4 23.1 24.3 30.9 89 90 A L H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 6,-0.4 0.825 110.8 51.1 -69.7 -35.4 26.1 26.2 29.4 90 91 A L H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.627 90.5 81.9 -71.2 -16.0 28.1 23.0 29.2 91 92 A R T << S+ 0 0 142 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.2 0.810 94.0 38.9 -66.2 -33.6 25.4 21.2 27.3 92 93 A Y S X S- 0 0 17 -3,-0.5 3,-2.1 -4,-0.4 4,-0.2 -0.908 97.2 -95.2-117.6 144.8 26.2 22.6 23.8 93 94 A R T 3 S+ 0 0 112 -2,-0.3 -73,-0.1 1,-0.3 -74,-0.1 -0.326 114.2 6.4 -50.9 131.2 29.5 23.2 22.2 94 95 A D T 3> S+ 0 0 11 -74,-0.1 4,-2.6 1,-0.1 -1,-0.3 0.641 87.2 147.6 61.0 22.7 30.4 26.9 22.8 95 96 A G H <> + 0 0 0 -3,-2.1 4,-2.4 -6,-0.4 -5,-0.2 0.834 69.0 49.2 -53.3 -44.8 27.4 27.2 25.0 96 97 A A H > S+ 0 0 0 -7,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.897 110.4 50.5 -67.0 -37.5 29.0 29.8 27.3 97 98 A K H > S+ 0 0 43 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.891 110.0 51.4 -66.8 -38.9 30.1 31.9 24.3 98 99 A V H < S+ 0 0 2 -4,-2.6 3,-0.2 1,-0.2 -43,-0.2 0.936 112.1 46.5 -60.0 -45.6 26.5 31.7 23.0 99 100 A A H >< S+ 0 0 16 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.834 102.5 66.2 -66.0 -35.6 25.2 32.9 26.4 100 101 A L H 3< S+ 0 0 91 -4,-2.2 2,-1.0 1,-0.3 -1,-0.2 0.887 88.7 62.4 -51.7 -50.7 27.8 35.8 26.8 101 102 A G T 3< S+ 0 0 43 -4,-1.0 2,-0.3 -3,-0.2 -1,-0.3 0.078 96.9 77.9 -75.2 30.5 26.7 37.9 24.0 102 103 A T < - 0 0 48 -2,-1.0 3,-0.0 -3,-0.9 -50,-0.0 -0.934 57.4-147.7-145.1 150.3 23.2 38.6 25.4 103 104 A R - 0 0 224 -2,-0.3 -2,-0.0 1,-0.1 2,-0.0 -0.774 55.6 -75.4-106.9 162.3 20.9 40.5 28.0 104 105 A P - 0 0 54 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.327 49.9-141.8 -62.1 132.8 17.8 38.9 29.5 105 106 A D >> - 0 0 49 -53,-0.1 4,-1.8 1,-0.0 3,-1.5 -0.432 35.0 -84.6 -83.2 171.6 15.0 38.8 27.0 106 107 A E H >> S+ 0 0 151 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.876 127.1 50.8 -39.8 -59.4 11.4 39.4 28.0 107 108 A K H 34 S+ 0 0 95 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.728 112.1 48.5 -66.2 -16.9 10.6 35.9 29.2 108 109 A Q H X> S+ 0 0 33 -3,-1.5 4,-2.9 2,-0.1 3,-0.6 0.727 92.4 82.3 -86.2 -28.2 13.7 35.8 31.4 109 110 A Y H S+ 0 0 40 -3,-0.6 4,-1.6 -4,-0.3 -2,-0.2 0.944 114.2 40.7 -70.8 -47.4 12.8 34.9 36.3 112 113 A V H X S+ 0 0 46 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.889 112.0 57.4 -70.7 -35.7 15.7 37.2 37.1 113 114 A E H X S+ 0 0 86 -4,-2.4 4,-2.8 -5,-0.4 3,-0.2 0.970 106.2 48.7 -55.2 -59.0 13.3 39.7 38.8 114 115 A T H X S+ 0 0 64 -4,-1.7 4,-3.3 1,-0.2 -1,-0.2 0.855 109.5 53.7 -40.7 -47.2 12.1 37.0 41.2 115 116 A Q H X S+ 0 0 18 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.895 111.0 44.9 -64.0 -42.0 15.7 36.0 42.0 116 117 A L H X S+ 0 0 28 -4,-2.3 4,-2.3 -3,-0.2 -2,-0.2 0.870 112.6 51.3 -69.8 -39.1 16.6 39.6 42.8 117 118 A R H X S+ 0 0 134 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.987 109.7 51.3 -56.3 -55.5 13.4 39.9 44.9 118 119 A F H X S+ 0 0 24 -4,-3.3 4,-0.8 1,-0.2 -2,-0.2 0.894 108.9 49.7 -49.7 -47.5 14.4 36.7 46.8 119 120 A M H ><>S+ 0 0 0 -4,-2.2 5,-1.6 1,-0.2 3,-1.4 0.948 112.4 47.9 -56.5 -47.9 17.9 38.1 47.5 120 121 A T H ><5S+ 0 0 53 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.859 105.7 58.5 -64.7 -35.4 16.3 41.3 48.9 121 122 A E H 3<5S+ 0 0 136 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.690 103.0 55.6 -65.3 -17.0 13.9 39.3 50.9 122 123 A N T <<5S- 0 0 55 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.052 131.8 -81.0-108.0 23.7 16.9 37.6 52.7 123 124 A G T < 5S+ 0 0 56 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.311 87.8 128.8 103.4 -7.0 18.6 40.8 53.9 124 125 A F < - 0 0 16 -5,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.619 57.5-125.9 -79.7 139.5 20.5 41.9 50.8 125 126 A S > - 0 0 50 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.383 36.1-106.9 -57.5 152.5 20.3 45.4 49.4 126 127 A L H > S+ 0 0 114 2,-0.2 4,-3.4 1,-0.2 5,-0.1 0.953 122.3 50.2 -46.4 -47.3 19.2 45.4 45.7 127 128 A R H > S+ 0 0 159 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 114.4 40.5 -63.2 -52.0 22.9 46.3 44.9 128 129 A D H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 113.8 52.8 -69.3 -39.3 24.5 43.6 47.0 129 130 A G H X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.940 113.3 47.1 -54.9 -47.3 21.9 41.0 46.0 130 131 A L H X S+ 0 0 72 -4,-3.4 4,-2.2 -5,-0.3 -2,-0.2 0.863 110.8 49.2 -59.9 -47.5 22.9 42.0 42.4 131 132 A Y H X S+ 0 0 147 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.790 111.9 51.2 -59.3 -37.2 26.7 41.9 43.0 132 133 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 113.2 42.6 -63.5 -54.9 26.3 38.5 44.6 133 134 A I H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.828 116.7 47.9 -64.8 -36.4 24.2 37.1 41.7 134 135 A S H X S+ 0 0 35 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.882 109.1 53.4 -74.0 -38.2 26.5 38.7 39.1 135 136 A A H X S+ 0 0 30 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.946 111.4 46.8 -62.4 -43.2 29.7 37.4 40.9 136 137 A V H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.922 113.9 48.0 -60.5 -42.8 28.2 33.9 40.7 137 138 A S H X S+ 0 0 33 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.885 114.6 45.1 -66.4 -41.7 27.3 34.4 37.0 138 139 A H H X S+ 0 0 127 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.864 113.3 49.3 -71.5 -42.2 30.7 35.7 36.1 139 140 A F H X S+ 0 0 64 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.944 115.8 44.5 -59.1 -48.7 32.6 33.1 38.0 140 141 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.907 115.3 45.6 -64.6 -49.1 30.4 30.4 36.4 141 142 A L H X S+ 0 0 26 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.941 114.2 50.7 -60.1 -45.1 30.6 31.8 32.9 142 143 A G H X S+ 0 0 35 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.906 112.1 46.6 -59.8 -44.6 34.4 32.3 33.3 143 144 A A H X S+ 0 0 29 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.851 114.9 44.6 -67.4 -37.4 34.9 28.8 34.5 144 145 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.7 0.924 108.7 57.2 -73.8 -42.4 32.8 27.2 31.7 145 146 A L H 3X S+ 0 0 35 -4,-3.3 4,-2.3 1,-0.3 5,-0.2 0.817 104.7 53.9 -57.1 -28.2 34.4 29.3 29.1 146 147 A E H 3X S+ 0 0 128 -4,-1.2 4,-0.8 2,-0.2 -1,-0.3 0.757 110.2 45.1 -81.9 -28.7 37.8 28.0 30.1 147 148 A Q H - 0 0 77 0, 0.0 4,-3.7 0, 0.0 5,-0.2 -0.493 360.0-110.4 -73.5 154.9 58.0 23.6 35.8 159 168 A P H > S+ 0 0 106 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.898 111.0 42.5 -62.3 -54.0 57.1 21.1 38.6 160 169 A L H > S+ 0 0 143 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.921 121.8 43.2 -54.8 -43.0 54.2 22.7 40.4 161 170 A L H > S+ 0 0 85 2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.910 110.2 55.4 -71.1 -44.3 52.7 23.8 37.1 162 171 A R H X S+ 0 0 126 -4,-3.7 4,-0.9 1,-0.2 -2,-0.2 0.958 117.8 37.6 -48.0 -50.6 53.4 20.5 35.5 163 172 A E H X S+ 0 0 99 -4,-2.9 4,-2.6 2,-0.2 -2,-0.3 0.796 111.2 57.5 -78.6 -30.4 51.4 19.0 38.4 164 173 A A H X S+ 0 0 38 -4,-2.8 4,-3.8 -5,-0.2 -1,-0.2 0.948 107.1 51.1 -60.5 -45.2 48.8 21.8 38.6 165 174 A L H < S+ 0 0 61 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.721 111.0 47.6 -65.0 -26.7 48.0 21.1 34.9 166 175 A Q H >< S+ 0 0 121 -4,-0.9 3,-0.8 -5,-0.2 -1,-0.2 0.887 116.7 42.8 -75.6 -45.7 47.5 17.3 35.7 167 176 A I H >< S+ 0 0 93 -4,-2.6 3,-1.5 1,-0.2 4,-0.4 0.890 110.2 57.3 -64.6 -40.9 45.4 18.2 38.8 168 177 A M T 3< S+ 0 0 122 -4,-3.8 -1,-0.2 1,-0.3 -3,-0.2 0.561 109.7 46.7 -67.7 -11.4 43.5 20.8 36.6 169 178 A D T < S+ 0 0 106 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.265 78.0 104.6-111.3 7.9 42.7 18.0 34.2 170 179 A S S < S- 0 0 78 -3,-1.5 2,-0.2 -4,-0.1 -2,-0.1 0.967 100.5 -9.6 -48.3 -60.9 41.5 15.4 36.9 171 180 A D S S- 0 0 53 -4,-0.4 0, 0.0 -3,-0.0 0, 0.0 -0.464 98.0 -72.6-122.1-163.0 37.9 16.1 35.8 172 181 A D S S- 0 0 85 -2,-0.2 -4,-0.0 1,-0.1 -2,-0.0 0.602 85.3 -78.9 -71.3 -6.7 36.2 18.7 33.6 173 182 A G S > S+ 0 0 20 -26,-0.0 4,-2.3 -27,-0.0 5,-0.2 0.248 98.9 123.3 115.2 -5.1 36.7 21.6 36.1 174 183 A E H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.871 72.8 49.3 -59.7 -39.1 33.8 20.6 38.3 175 184 A Q H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 112.8 44.5 -66.1 -47.3 36.0 20.3 41.5 176 185 A A H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 116.7 49.2 -67.3 -33.7 37.7 23.7 41.1 177 186 A F H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.920 111.6 46.2 -68.5 -49.9 34.3 25.2 40.3 178 187 A L H X S+ 0 0 58 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.884 114.1 49.8 -63.5 -38.9 32.5 23.7 43.3 179 188 A H H X S+ 0 0 145 -4,-2.2 4,-1.8 -5,-0.2 3,-0.2 0.960 113.1 45.3 -61.3 -52.9 35.3 24.7 45.6 180 189 A G H X S+ 0 0 21 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.886 108.6 57.6 -58.9 -39.8 35.4 28.3 44.3 181 190 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.886 106.2 48.2 -59.7 -42.0 31.6 28.5 44.5 182 191 A E H X S+ 0 0 76 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.854 111.0 52.1 -63.9 -38.9 31.7 27.7 48.2 183 192 A S H X S+ 0 0 74 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.951 111.3 46.5 -61.4 -44.8 34.4 30.3 48.7 184 193 A L H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.932 111.7 49.9 -64.3 -47.4 32.3 32.9 47.0 185 194 A I H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.914 111.6 48.4 -58.4 -43.6 29.1 32.0 48.8 186 195 A R H X S+ 0 0 159 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.886 107.9 56.2 -64.1 -44.0 30.9 32.2 52.2 187 196 A G H X S+ 0 0 43 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.907 108.6 47.2 -53.5 -45.4 32.4 35.5 51.2 188 197 A F H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.817 110.9 52.1 -60.5 -39.2 28.9 36.8 50.6 189 198 A E H X S+ 0 0 63 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.932 106.4 51.6 -69.8 -45.2 27.7 35.5 53.9 190 199 A V H X S+ 0 0 72 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.936 113.0 47.6 -54.1 -42.3 30.4 37.1 55.8 191 200 A Q H X S+ 0 0 99 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.930 112.1 47.2 -66.3 -48.9 29.6 40.5 54.1 192 201 A L H >< S+ 0 0 40 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.963 112.8 50.5 -57.2 -51.7 25.8 40.2 54.7 193 202 A T H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.860 100.5 64.1 -53.1 -40.2 26.3 39.3 58.3 194 203 A A H >< S+ 0 0 13 -4,-1.9 3,-2.7 -5,-0.2 -1,-0.3 0.709 71.9 175.4 -65.6 -23.6 28.7 42.2 59.0 195 204 A L T << S- 0 0 137 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.1 -0.388 75.7 -19.8 52.9-118.3 26.0 44.9 58.3 196 205 A L T 3 S+ 0 0 170 -2,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.358 108.9 115.0 -99.2 0.4 27.9 48.2 59.2 197 206 A Q S < S- 0 0 155 -3,-2.7 2,-0.3 -4,-0.1 -3,-0.0 -0.413 80.2 -99.9 -68.3 147.6 30.6 46.6 61.3 198 207 A I 0 0 171 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.561 360.0 360.0 -70.0 132.5 34.2 46.8 60.0 199 208 A V 0 0 129 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.536 360.0 360.0-141.4 360.0 34.9 43.5 58.4