==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 15-MAR-10 2X9D . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.VOLKERS,W.HINRICHS . 195 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 69.7 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 . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 59.5 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 1 0 1 0 0 1 1 1 0 0 1 0 0 0 0 1 0 0 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 2 A S 0 0 107 0, 0.0 32,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-171.4 10.8 20.2 6.7 2 3 A R - 0 0 174 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.341 360.0-166.2 -67.2 141.8 8.8 22.4 9.2 3 4 A L + 0 0 30 4,-0.1 -1,-0.1 5,-0.0 2,-0.1 -0.075 38.8 130.4-122.9 27.9 9.9 26.0 9.7 4 5 A N S > S- 0 0 48 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.420 77.5 -96.7 -65.5 159.6 8.1 27.1 12.8 5 6 A R H > S+ 0 0 133 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 124.4 52.6 -45.9 -48.9 10.4 28.7 15.5 6 7 A E H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 111.8 44.7 -61.2 -43.2 10.7 25.5 17.4 7 8 A S H > S+ 0 0 31 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.881 112.7 51.5 -66.2 -40.3 11.8 23.5 14.4 8 9 A V H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.893 112.5 46.1 -65.5 -39.7 14.2 26.2 13.2 9 10 A I H X S+ 0 0 5 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.909 108.3 56.1 -68.9 -42.8 15.8 26.3 16.6 10 11 A D H X S+ 0 0 65 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.947 112.6 42.0 -52.7 -54.2 16.0 22.4 16.9 11 12 A A H X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.929 114.6 50.9 -58.2 -49.3 18.0 22.3 13.6 12 13 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.867 112.3 46.3 -58.9 -39.9 20.2 25.3 14.5 13 14 A L H X S+ 0 0 3 -4,-2.8 4,-1.5 2,-0.2 80,-0.2 0.856 113.3 49.0 -70.4 -38.6 21.1 23.8 18.0 14 15 A E H X S+ 0 0 115 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.892 112.3 49.0 -65.3 -41.4 21.9 20.5 16.4 15 16 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.857 104.3 59.6 -65.7 -38.6 24.0 22.2 13.7 16 17 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.908 102.5 52.8 -55.5 -45.8 25.8 24.2 16.5 17 18 A N H < S+ 0 0 72 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.1 43.7 -58.0 -39.4 26.9 20.9 17.9 18 19 A E H < S+ 0 0 93 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.933 129.8 19.9 -62.5 -50.7 28.3 19.9 14.5 19 20 A T H X S- 0 0 31 -4,-2.9 4,-0.6 1,-0.2 -3,-0.2 0.796 91.9-132.0-103.6 -33.4 30.0 23.1 13.6 20 21 A G T < - 0 0 1 -4,-2.4 -1,-0.2 -5,-0.3 4,-0.2 -0.467 44.8 -70.4 94.0-177.1 30.7 25.3 16.6 21 22 A I T >4 S+ 0 0 22 -2,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.870 131.7 55.1 -78.6 -37.5 29.8 29.0 16.8 22 23 A D T 34 S+ 0 0 139 1,-0.2 -2,-0.1 -3,-0.1 -1,-0.1 0.961 114.2 38.4 -59.9 -51.8 32.6 30.0 14.3 23 24 A G T 3< S+ 0 0 38 -4,-0.6 2,-0.5 -7,-0.1 -1,-0.2 0.264 87.1 112.4 -89.7 10.0 31.4 27.6 11.5 24 25 A L < + 0 0 0 -3,-0.8 2,-0.3 -4,-0.2 3,-0.1 -0.746 43.4 169.2 -83.3 123.7 27.6 28.0 12.0 25 26 A T > - 0 0 55 -2,-0.5 4,-0.9 1,-0.1 5,-0.1 -0.859 46.8-124.0-130.7 163.6 26.0 29.8 9.1 26 27 A T H > S+ 0 0 46 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.893 111.3 59.0 -68.3 -40.5 22.6 30.6 7.8 27 28 A R H > S+ 0 0 165 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.907 109.0 42.3 -59.9 -44.2 23.5 28.9 4.4 28 29 A K H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.726 109.4 57.9 -77.1 -19.1 24.3 25.6 6.1 29 30 A L H X S+ 0 0 0 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.889 106.2 50.9 -69.8 -38.3 21.2 25.9 8.4 30 31 A A H X>S+ 0 0 2 -4,-2.5 5,-2.5 2,-0.2 4,-0.5 0.879 107.8 54.2 -57.1 -42.5 19.2 26.1 5.1 31 32 A Q H ><5S+ 0 0 69 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.967 108.6 46.4 -55.6 -55.7 21.1 23.0 4.0 32 33 A K H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.779 111.0 53.3 -59.8 -31.6 20.0 21.1 7.1 33 34 A L H 3<5S- 0 0 7 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.509 109.8-119.6 -83.7 -3.3 16.4 22.2 6.7 34 35 A G T <<5S+ 0 0 68 -3,-1.6 2,-0.3 -4,-0.5 -3,-0.2 0.896 75.5 117.3 63.6 41.4 16.1 21.0 3.1 35 36 A I < - 0 0 33 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.916 68.7-103.3-138.6 162.1 15.5 24.6 2.0 36 37 A E >> - 0 0 143 -2,-0.3 4,-1.7 -3,-0.1 3,-0.9 -0.614 37.0-114.1 -83.4 145.5 16.8 27.5 -0.1 37 38 A Q H 3> S+ 0 0 88 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.853 114.5 55.3 -45.0 -45.5 18.5 30.5 1.6 38 39 A P H 3> S+ 0 0 106 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.892 104.9 53.8 -67.4 -29.5 15.8 33.0 0.6 39 40 A T H X> S+ 0 0 67 -3,-0.9 3,-1.2 1,-0.2 4,-0.7 0.968 110.0 47.5 -57.0 -54.2 13.1 30.8 2.2 40 41 A L H >X S+ 0 0 4 -4,-1.7 4,-2.7 1,-0.3 3,-0.9 0.816 101.2 65.5 -55.8 -38.2 15.1 30.7 5.5 41 42 A Y H 3< S+ 0 0 141 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.808 94.8 59.5 -56.8 -33.4 15.6 34.5 5.3 42 43 A W H << S+ 0 0 192 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.845 116.1 33.9 -59.2 -37.2 11.8 34.9 5.8 43 44 A H H << S+ 0 0 64 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.752 132.9 23.3 -90.1 -30.8 12.1 33.1 9.1 44 45 A V < - 0 0 20 -4,-2.7 -1,-0.3 1,-0.1 3,-0.1 -0.948 60.2-157.8-148.6 118.1 15.6 34.4 10.2 45 46 A K - 0 0 102 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.796 67.1 -36.7 -76.6 -29.4 17.2 37.6 9.0 46 47 A N > - 0 0 83 1,-0.1 4,-2.2 -21,-0.0 -1,-0.1 -0.977 68.3 -72.2-171.2-173.9 20.9 36.6 9.7 47 48 A K H > S+ 0 0 68 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.814 125.0 53.6 -63.0 -33.0 23.5 34.9 12.0 48 49 A R H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 108.8 48.2 -70.0 -41.6 23.1 37.5 14.7 49 50 A A H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.930 113.3 49.6 -60.3 -45.6 19.4 37.0 14.8 50 51 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 110.3 46.9 -61.1 -51.0 19.9 33.3 15.0 51 52 A L H X S+ 0 0 14 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.870 109.5 55.5 -62.7 -41.4 22.5 33.3 17.8 52 53 A D H X S+ 0 0 64 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.926 111.6 43.9 -52.1 -49.2 20.3 35.7 19.9 53 54 A A H X S+ 0 0 18 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.840 112.6 51.5 -68.2 -35.1 17.5 33.2 19.6 54 55 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.896 108.0 53.2 -68.9 -38.8 19.7 30.2 20.4 55 56 A A H X S+ 0 0 1 -4,-2.8 4,-1.1 43,-0.2 -2,-0.2 0.889 113.4 42.9 -59.0 -44.5 21.0 32.1 23.5 56 57 A V H X S+ 0 0 27 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.911 114.8 49.7 -67.2 -46.4 17.5 32.6 24.8 57 58 A E H X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.766 103.1 60.4 -67.6 -25.3 16.4 29.1 23.8 58 59 A I H X S+ 0 0 3 -4,-1.9 4,-1.5 2,-0.2 5,-0.4 0.909 110.4 42.2 -69.2 -38.8 19.4 27.5 25.6 59 60 A L H X S+ 0 0 49 -4,-1.1 4,-2.6 3,-0.2 -2,-0.2 0.973 115.4 47.9 -66.8 -55.2 18.2 29.1 28.9 60 61 A A H < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.860 118.2 40.7 -55.4 -42.1 14.5 28.3 28.4 61 62 A R H < S+ 0 0 63 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.851 132.5 13.9 -75.6 -36.8 15.1 24.7 27.5 62 63 A H H < S+ 0 0 34 -4,-1.5 2,-1.1 -5,-0.2 -3,-0.2 0.568 100.6 82.6-128.1 -17.6 17.8 23.6 29.8 63 64 A H < + 0 0 22 -4,-2.6 3,-0.2 -5,-0.4 -1,-0.1 -0.772 48.5 156.1 -93.8 87.5 18.3 26.1 32.7 64 65 A D + 0 0 125 -2,-1.1 2,-0.4 1,-0.2 3,-0.3 0.438 56.0 69.5-102.3 -2.2 15.5 24.8 35.0 65 66 A Y + 0 0 65 15,-0.2 20,-0.2 1,-0.2 -1,-0.2 -0.630 56.8 124.2-108.6 69.3 16.7 26.1 38.4 66 67 A S + 0 0 27 -2,-0.4 -1,-0.2 -3,-0.2 49,-0.1 0.529 67.3 57.1 -94.5 -11.6 16.1 29.7 37.6 67 68 A L S S- 0 0 78 -3,-0.3 2,-0.1 47,-0.0 -1,-0.1 -0.930 85.1-110.3-130.4 144.1 13.9 30.1 40.7 68 69 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.437 33.0-116.6 -67.8 139.3 14.3 29.4 44.5 69 70 A A > - 0 0 50 -2,-0.1 3,-2.8 4,-0.1 8,-0.1 -0.513 48.1 -88.4 -65.8 143.0 12.4 26.6 46.1 70 71 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.371 119.0 14.8 -53.9 128.7 9.9 27.9 48.6 71 72 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.223 92.2 147.4 84.9 -11.9 11.8 28.2 51.9 72 73 A E < - 0 0 24 -3,-2.8 -1,-0.3 1,-0.1 2,-0.0 -0.288 51.2-117.9 -62.7 134.6 15.3 27.8 50.2 73 74 A S > - 0 0 53 1,-0.1 4,-1.9 4,-0.0 -4,-0.1 -0.363 24.0-119.0 -58.7 150.3 18.2 29.7 51.8 74 75 A W H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 114.4 57.3 -64.4 -40.3 19.7 32.3 49.5 75 76 A Q H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.950 107.0 46.0 -46.3 -59.4 23.0 30.4 49.6 76 77 A S H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 110.7 54.7 -61.2 -36.4 21.4 27.2 48.4 77 78 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.894 107.9 47.6 -63.2 -43.8 19.6 29.1 45.6 78 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.920 113.3 51.3 -65.1 -40.3 22.8 30.6 44.2 79 80 A R H X S+ 0 0 68 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.971 114.9 38.9 -54.0 -63.5 24.4 27.1 44.4 80 81 A N H X S+ 0 0 43 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.862 117.7 50.8 -59.2 -39.1 21.6 25.3 42.4 81 82 A N H X S+ 0 0 12 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.908 110.1 49.7 -66.4 -41.9 21.2 28.3 40.0 82 83 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.938 112.4 47.6 -62.7 -45.1 25.0 28.3 39.4 83 84 A M H X S+ 0 0 49 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.888 113.2 47.8 -63.2 -43.4 25.0 24.6 38.7 84 85 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.940 111.6 49.8 -61.8 -49.4 22.0 24.8 36.4 85 86 A F H X S+ 0 0 19 -4,-2.7 4,-2.5 -20,-0.2 -2,-0.2 0.939 111.9 48.9 -55.9 -51.3 23.4 27.8 34.4 86 87 A R H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.936 112.2 47.7 -49.7 -55.4 26.7 25.9 34.0 87 88 A R H X S+ 0 0 143 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.854 111.1 50.6 -59.0 -42.9 25.0 22.7 32.7 88 89 A A H < S+ 0 0 2 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.901 113.1 46.9 -61.3 -41.0 22.8 24.7 30.3 89 90 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 -5,-0.2 6,-0.4 0.883 113.7 49.1 -66.3 -38.4 26.0 26.4 29.0 90 91 A L H 3< S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.720 91.4 79.2 -72.4 -21.5 27.8 23.0 28.8 91 92 A R T 3< S+ 0 0 146 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.2 0.790 97.0 41.0 -66.4 -26.9 24.9 21.2 26.9 92 93 A Y S X S- 0 0 18 -3,-0.6 3,-1.5 -4,-0.5 4,-0.2 -0.857 93.6 -99.3-120.1 154.6 25.9 22.7 23.5 93 94 A R T 3 S+ 0 0 121 -2,-0.3 -73,-0.1 1,-0.3 -74,-0.1 -0.512 109.9 3.2 -66.4 134.4 29.2 23.3 21.8 94 95 A D T 3> S+ 0 0 22 -2,-0.2 4,-1.3 54,-0.1 -1,-0.3 0.728 87.3 144.0 58.3 26.3 30.3 26.9 22.2 95 96 A G H <> + 0 0 0 -3,-1.5 4,-2.4 -6,-0.4 -5,-0.1 0.819 69.4 50.9 -66.8 -35.6 27.2 27.5 24.3 96 97 A A H > S+ 0 0 0 -7,-0.3 4,-2.8 -4,-0.2 -1,-0.2 0.892 112.2 49.0 -61.5 -42.5 29.0 30.0 26.6 97 98 A K H 4 S+ 0 0 77 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.695 110.7 50.0 -68.1 -26.8 30.1 31.8 23.4 98 99 A V H < S+ 0 0 1 -4,-1.3 -43,-0.2 -9,-0.1 -2,-0.2 0.867 113.2 46.6 -75.6 -41.1 26.5 31.7 22.2 99 100 A H H >< S+ 0 0 34 -4,-2.4 3,-0.5 -5,-0.1 -2,-0.2 0.898 90.9 97.2 -68.2 -41.6 25.4 33.2 25.5 100 101 A L T 3< S+ 0 0 100 -4,-2.8 3,-0.1 1,-0.2 -45,-0.1 -0.247 85.6 25.3 -48.0 124.3 28.1 35.9 25.6 101 102 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 -49,-0.0 -1,-0.2 0.873 98.0 94.8 83.6 38.1 26.7 39.2 24.3 102 103 A T < - 0 0 38 -3,-0.5 -1,-0.3 -47,-0.1 3,-0.1 -0.955 57.0-145.9-142.6 154.0 23.0 39.0 25.0 103 104 A R - 0 0 230 -2,-0.3 -47,-0.0 1,-0.2 0, 0.0 -0.666 49.4 -64.6-105.9 171.6 20.9 40.2 27.9 104 105 A P - 0 0 65 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.287 56.0-121.4 -52.2 141.3 17.8 38.4 29.3 105 106 A D > - 0 0 75 1,-0.1 3,-2.4 -3,-0.1 4,-0.3 -0.517 28.1-102.7 -80.9 155.7 15.0 38.3 26.8 106 107 A E G > S+ 0 0 151 1,-0.3 3,-3.4 2,-0.2 4,-0.5 0.909 119.6 68.0 -36.7 -57.5 11.6 39.8 27.8 107 108 A K G 3 S+ 0 0 182 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.623 109.3 33.4 -41.7 -28.0 10.4 36.3 28.4 108 109 A Q G <> S+ 0 0 37 -3,-2.4 4,-2.1 1,-0.1 3,-0.4 0.223 85.2 104.7-115.1 12.8 12.7 35.9 31.5 109 110 A Y H <> S+ 0 0 139 -3,-3.4 4,-2.6 -4,-0.3 -2,-0.1 0.909 83.8 49.6 -59.8 -45.7 12.7 39.5 32.8 110 111 A D H > S+ 0 0 128 -4,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.733 107.5 56.0 -67.3 -25.1 10.4 38.6 35.6 111 112 A T H > S+ 0 0 35 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.906 111.0 41.4 -72.8 -46.5 12.7 35.6 36.5 112 113 A V H X S+ 0 0 47 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.890 115.2 54.4 -67.9 -34.0 15.7 37.9 36.9 113 114 A E H X S+ 0 0 113 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.918 109.1 46.2 -58.4 -48.4 13.4 40.3 38.7 114 115 A T H X S+ 0 0 37 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.908 110.1 53.8 -63.6 -45.1 12.4 37.5 41.1 115 116 A Q H X S+ 0 0 16 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.937 112.6 44.4 -49.5 -51.3 16.0 36.4 41.6 116 117 A L H X S+ 0 0 26 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.888 114.4 48.3 -65.5 -42.7 16.9 40.1 42.6 117 118 A R H X S+ 0 0 113 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 107.7 55.6 -59.8 -51.5 13.9 40.5 44.8 118 119 A F H < S+ 0 0 23 -4,-3.1 4,-0.5 1,-0.2 -2,-0.2 0.860 108.6 48.8 -49.7 -42.3 14.5 37.2 46.6 119 120 A M H ><>S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 5,-1.6 0.943 108.7 51.1 -67.6 -49.9 18.1 38.5 47.4 120 121 A T H ><5S+ 0 0 55 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.839 105.5 59.0 -54.9 -32.0 16.8 41.8 48.8 121 122 A E T 3<5S+ 0 0 125 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.674 102.3 55.1 -70.8 -17.8 14.4 39.8 50.9 122 123 A N T < 5S- 0 0 58 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.009 133.4 -78.0-105.8 25.7 17.3 38.0 52.5 123 124 A G T < 5S+ 0 0 55 -3,-1.1 2,-0.4 1,-0.3 -3,-0.2 0.474 90.6 125.5 97.2 3.9 19.3 41.1 53.8 124 125 A F < - 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0 0 79 1,-0.1 6,-0.0 2,-0.1 0, 0.0 -0.357 360.0-113.9 -70.8 143.0 56.2 21.8 32.2 155 167 A P > - 0 0 72 0, 0.0 4,-3.1 0, 0.0 3,-0.3 -0.469 39.0-101.1 -71.6 155.5 57.6 22.9 35.6 156 168 A P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.839 117.9 40.7 -53.0 -52.2 56.6 20.5 38.4 157 169 A L H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.868 119.2 47.8 -65.8 -34.8 53.7 22.3 40.1 158 170 A L H > S+ 0 0 87 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.896 109.4 52.3 -68.7 -44.9 52.3 23.4 36.7 159 171 A R H X S+ 0 0 141 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.929 114.7 43.5 -55.0 -44.6 52.6 19.9 35.3 160 172 A E H X S+ 0 0 115 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.795 112.5 52.1 -75.7 -30.4 50.7 18.6 38.3 161 173 A A H X S+ 0 0 43 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.899 108.9 49.5 -70.3 -43.0 48.1 21.4 38.2 162 174 A L H X S+ 0 0 90 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.717 107.6 55.3 -71.2 -21.6 47.3 20.8 34.6 163 175 A Q H < S+ 0 0 108 -4,-1.0 4,-0.4 -5,-0.2 -1,-0.2 0.849 109.9 46.9 -72.2 -36.3 46.8 17.1 35.4 164 176 A I H < S+ 0 0 96 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.719 110.8 52.1 -75.1 -24.9 44.3 18.2 38.0 165 177 A M H >< S+ 0 0 101 -4,-1.4 3,-0.6 1,-0.2 5,-0.3 0.869 113.8 42.0 -77.9 -37.7 42.5 20.6 35.6 166 178 A D T 3< S+ 0 0 113 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.460 89.8 90.2 -88.0 -1.9 42.0 17.9 32.9 167 179 A S T 3 S+ 0 0 88 -4,-0.4 2,-0.3 -5,-0.0 -1,-0.2 0.408 103.6 2.8 -78.5 4.4 41.1 15.2 35.4 168 180 A D S < S- 0 0 43 -3,-0.6 0, 0.0 3,-0.0 0, 0.0 -0.913 92.8 -80.6-160.8-167.0 37.4 16.2 34.9 169 181 A D S S- 0 0 86 -2,-0.3 -3,-0.1 1,-0.0 -22,-0.1 0.099 81.8 -82.4 -91.8 23.0 35.1 18.6 33.0 170 182 A G S > S+ 0 0 21 -5,-0.3 4,-2.1 -23,-0.1 5,-0.2 0.372 100.8 120.6 92.6 -2.4 35.9 21.6 35.3 171 183 A E H > + 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.931 69.8 47.1 -63.9 -53.4 33.3 20.4 37.8 172 184 A Q H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.963 116.6 43.0 -52.1 -58.3 35.6 20.0 40.9 173 185 A A H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.844 115.6 50.7 -58.7 -38.7 37.3 23.4 40.5 174 186 A F H X S+ 0 0 3 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.872 111.5 45.0 -67.3 -42.2 34.1 25.1 39.7 175 187 A L H X S+ 0 0 50 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.851 111.5 52.9 -77.9 -34.4 32.1 23.8 42.7 176 188 A H H X S+ 0 0 150 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.961 114.0 42.2 -61.0 -53.4 35.0 24.5 45.1 177 189 A G H X S+ 0 0 22 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.725 107.2 62.5 -67.2 -23.6 35.2 28.2 44.0 178 190 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.934 105.4 47.0 -61.9 -45.5 31.4 28.4 43.9 179 191 A E H X S+ 0 0 82 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.819 108.8 53.8 -66.3 -35.9 31.5 27.7 47.7 180 192 A S H X S+ 0 0 76 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.927 110.5 48.2 -60.1 -43.8 34.3 30.3 48.2 181 193 A L H X S+ 0 0 40 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.939 112.0 47.5 -63.1 -49.7 32.1 32.9 46.4 182 194 A I H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.902 114.4 45.4 -65.0 -42.6 28.9 32.2 48.4 183 195 A R H X S+ 0 0 158 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.845 110.7 55.0 -64.4 -41.3 30.6 32.2 51.9 184 196 A G H X S+ 0 0 39 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.924 109.3 47.5 -55.6 -47.7 32.4 35.4 50.8 185 197 A F H X S+ 0 0 29 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.882 111.5 50.9 -56.7 -45.4 29.0 36.9 50.0 186 198 A E H X S+ 0 0 58 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.886 106.8 53.0 -67.2 -36.7 27.7 35.7 53.4 187 199 A V H X S+ 0 0 70 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.922 113.2 45.3 -62.7 -41.9 30.7 37.2 55.2 188 200 A Q H < S+ 0 0 104 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.949 115.8 46.1 -59.9 -52.9 29.8 40.5 53.5 189 201 A L H >< S+ 0 0 32 -4,-3.2 3,-1.5 1,-0.2 -2,-0.2 0.953 110.8 51.5 -54.9 -55.2 26.1 40.2 54.2 190 202 A T H 3< S+ 0 0 88 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 99.9 62.8 -58.9 -30.9 26.5 39.2 57.9 191 203 A A T >< S- 0 0 18 -4,-1.2 3,-2.4 -3,-0.3 -1,-0.3 0.623 74.4-179.2 -72.5 -15.2 28.8 42.1 58.9 192 204 A L T < S- 0 0 141 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.0 -0.330 72.6 -15.7 49.8-109.7 26.2 44.8 58.1 193 205 A L T 3 S+ 0 0 176 -2,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.444 109.4 110.6-103.8 -5.1 28.0 48.1 58.8 194 206 A Q S < S- 0 0 159 -3,-2.4 2,-0.3 1,-0.1 -3,-0.1 -0.324 80.5-100.5 -64.6 152.3 30.9 46.7 60.8 195 207 A I 0 0 174 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.603 360.0 360.0 -74.3 135.0 34.4 46.8 59.3 196 208 A V 0 0 115 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.479 360.0 360.0-140.1 360.0 35.2 43.4 58.0