==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 16-SEP-10 2XRL . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.J.PALM,P.WAACK,W.HINRICHS . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 69.6 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 60.9 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 1 1 0 1 0 1 0 0 0 1 0 1 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 0.000 360.0 360.0 360.0-168.0 11.4 20.5 6.7 2 3 A R - 0 0 163 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.434 360.0-169.8 -68.9 139.4 9.2 22.2 9.4 3 4 A L + 0 0 24 -2,-0.1 -1,-0.1 4,-0.1 2,-0.1 -0.077 34.6 133.4-123.4 31.3 10.2 25.8 10.1 4 5 A N S > S- 0 0 50 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.422 75.8 -97.5 -68.0 159.3 8.1 26.7 13.2 5 6 A R H > S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 123.6 51.9 -44.7 -47.5 10.2 28.5 15.9 6 7 A E H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.848 110.8 44.3 -61.8 -44.8 10.7 25.2 17.8 7 8 A S H > S+ 0 0 32 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.832 111.4 53.7 -70.6 -38.8 12.0 23.2 14.9 8 9 A V H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.946 110.9 47.8 -55.9 -46.0 14.3 26.0 13.7 9 10 A I H X S+ 0 0 6 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.921 109.5 52.4 -63.3 -45.0 15.9 26.1 17.3 10 11 A D H X S+ 0 0 68 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.926 112.9 45.7 -54.0 -43.5 16.2 22.2 17.4 11 12 A A H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 112.8 48.4 -69.7 -45.6 18.1 22.4 14.0 12 13 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.921 111.7 49.9 -61.1 -42.1 20.3 25.3 15.1 13 14 A L H X S+ 0 0 3 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.915 109.6 51.2 -64.1 -43.2 21.2 23.6 18.4 14 15 A E H X S+ 0 0 108 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.934 113.1 46.7 -55.0 -47.2 22.1 20.4 16.5 15 16 A L H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.915 105.2 58.2 -61.5 -47.2 24.4 22.6 14.2 16 17 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.886 106.9 49.5 -51.1 -46.6 26.0 24.4 17.1 17 18 A N H < S+ 0 0 74 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 115.4 43.8 -61.0 -39.2 27.2 20.9 18.4 18 19 A E H < S+ 0 0 104 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.841 132.4 17.2 -68.1 -40.0 28.6 20.0 14.9 19 20 A T H X S- 0 0 33 -4,-2.7 4,-0.6 -5,-0.1 -3,-0.2 0.641 93.1-130.0-112.9 -21.8 30.3 23.3 14.2 20 21 A G H X - 0 0 2 -4,-2.8 4,-1.1 -5,-0.4 74,-0.1 0.021 43.3 -72.3 74.0 166.4 30.8 25.4 17.3 21 22 A I H 4 S+ 0 0 19 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.845 129.8 55.1 -64.1 -41.6 29.7 29.1 17.6 22 23 A D H 4 S+ 0 0 127 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.883 116.7 38.3 -59.8 -42.1 32.5 30.6 15.3 23 24 A G H < S+ 0 0 29 -4,-0.6 2,-0.2 -7,-0.1 -1,-0.2 0.527 86.5 107.8 -92.3 -9.0 31.5 28.2 12.5 24 25 A L < + 0 0 0 -4,-1.1 2,-0.3 -3,-0.2 3,-0.0 -0.534 47.8 173.8 -62.3 130.0 27.7 28.2 12.8 25 26 A T > - 0 0 47 -2,-0.2 4,-2.0 1,-0.1 3,-0.1 -0.975 46.9-120.9-139.3 151.2 26.3 30.2 9.9 26 27 A T H > S+ 0 0 44 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.826 115.0 60.4 -59.1 -28.4 22.8 30.9 8.6 27 28 A R H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 106.3 43.1 -64.4 -45.1 24.0 29.2 5.3 28 29 A K H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.833 111.5 56.5 -70.4 -32.3 24.8 25.9 7.0 29 30 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 105.8 49.9 -62.4 -44.7 21.5 26.2 8.9 30 31 A A H X>S+ 0 0 2 -4,-2.2 5,-2.4 2,-0.2 4,-0.7 0.923 111.4 49.8 -57.1 -42.8 19.6 26.5 5.6 31 32 A Q H ><5S+ 0 0 129 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.943 109.5 51.0 -65.7 -42.9 21.4 23.3 4.3 32 33 A K H 3<5S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.882 112.6 45.7 -58.7 -42.7 20.6 21.4 7.5 33 34 A L H 3<5S- 0 0 8 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.517 112.1-120.1 -79.0 -10.3 16.9 22.3 7.1 34 35 A G T <<5S+ 0 0 65 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.773 72.5 118.0 77.8 29.7 16.8 21.5 3.3 35 36 A I < - 0 0 28 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.1 -0.826 67.0-100.5-127.7 164.7 15.8 25.0 2.3 36 37 A E > - 0 0 142 -2,-0.3 4,-2.0 -3,-0.1 3,-0.4 -0.403 37.2-111.2 -77.3 154.0 17.1 27.9 0.3 37 38 A Q H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.907 115.9 52.7 -57.5 -48.7 18.7 31.0 2.0 38 39 A P H > S+ 0 0 102 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.818 107.3 53.9 -58.6 -30.0 15.9 33.4 1.2 39 40 A T H > S+ 0 0 62 -3,-0.4 4,-0.9 2,-0.2 3,-0.5 0.945 109.1 48.1 -66.2 -47.6 13.4 31.0 2.8 40 41 A L H >X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 3,-1.0 0.910 103.4 63.0 -54.6 -44.1 15.5 30.8 6.1 41 42 A Y H 3< S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.813 94.6 59.6 -53.8 -36.9 15.7 34.7 6.1 42 43 A W H 3< S+ 0 0 191 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.919 119.3 30.2 -55.1 -44.7 11.9 34.9 6.5 43 44 A H H << S+ 0 0 76 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.832 132.9 26.6 -81.6 -39.2 12.3 32.9 9.7 44 45 A V < - 0 0 14 -4,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.954 61.8-166.4-138.0 109.2 15.8 34.0 11.0 45 46 A K - 0 0 103 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.780 65.9 -24.5 -77.8 -31.9 17.2 37.4 9.9 46 47 A N > - 0 0 80 1,-0.1 4,-1.8 -21,-0.0 3,-0.3 -0.970 69.2 -87.0-164.2 174.3 20.9 36.9 10.9 47 48 A K H > S+ 0 0 64 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.869 120.3 57.4 -57.5 -42.6 23.3 35.0 13.2 48 49 A R H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 106.4 48.6 -57.7 -41.8 22.9 37.5 16.1 49 50 A A H > S+ 0 0 43 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.899 113.7 48.9 -65.7 -42.3 19.1 36.9 16.2 50 51 A L H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.916 111.4 47.2 -57.6 -51.3 19.7 33.2 16.2 51 52 A L H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.850 110.2 53.0 -62.8 -38.3 22.3 33.3 19.0 52 53 A D H X S+ 0 0 56 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.890 111.5 48.0 -61.0 -42.2 20.0 35.5 21.1 53 54 A A H X S+ 0 0 14 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.895 110.8 49.5 -65.1 -45.7 17.3 32.9 20.7 54 55 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.924 104.8 58.0 -63.2 -41.7 19.6 30.0 21.5 55 56 A A H X S+ 0 0 9 -4,-2.3 4,-1.0 43,-0.3 -1,-0.2 0.911 112.9 41.1 -56.0 -43.3 20.8 31.7 24.7 56 57 A V H X S+ 0 0 10 -4,-1.3 4,-2.0 2,-0.2 3,-0.2 0.950 116.3 47.3 -68.3 -47.5 17.2 31.9 26.0 57 58 A E H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.834 102.9 60.3 -73.1 -33.4 16.0 28.4 24.8 58 59 A I H X S+ 0 0 7 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.947 112.5 40.2 -52.9 -47.5 19.0 26.5 26.2 59 60 A L H X S+ 0 0 22 -4,-1.0 4,-1.9 -5,-0.3 -2,-0.2 0.887 112.7 55.5 -70.8 -35.0 18.1 27.7 29.7 60 61 A A H < S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.890 118.4 34.0 -64.3 -40.1 14.3 27.3 29.1 61 62 A R H < S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.827 133.9 19.6 -83.2 -35.1 14.9 23.6 28.2 62 63 A H H < S+ 0 0 29 -4,-2.2 2,-0.9 -5,-0.3 -3,-0.2 0.448 96.1 86.2-126.5 -3.9 17.7 22.5 30.4 63 64 A H < + 0 0 17 -4,-1.9 3,-0.4 -5,-0.2 -1,-0.1 -0.864 46.7 169.5-104.2 95.8 18.2 24.9 33.4 64 65 A D + 0 0 134 -2,-0.9 3,-0.3 1,-0.2 2,-0.2 0.552 62.1 63.3 -91.2 -8.5 15.7 23.4 35.9 65 66 A Y + 0 0 62 16,-0.2 -1,-0.2 1,-0.2 20,-0.2 -0.372 55.6 124.6-115.5 60.3 16.8 25.3 39.0 66 67 A S S S+ 0 0 28 -3,-0.4 -1,-0.2 -2,-0.2 -2,-0.1 0.785 72.3 47.4 -77.5 -29.1 15.9 28.9 38.1 67 68 A L S S- 0 0 88 -3,-0.3 -1,-0.0 1,-0.0 45,-0.0 -0.866 88.3-108.7-122.8 144.2 13.7 29.4 41.2 68 69 A P - 0 0 34 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.324 33.1-109.6 -70.8 152.6 14.2 28.6 44.8 69 70 A A > - 0 0 52 4,-0.1 3,-2.1 1,-0.1 2,-0.2 -0.378 51.0 -82.1 -64.3 153.5 12.4 25.7 46.7 70 71 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.470 120.4 8.1 -56.0 127.0 9.7 26.8 49.3 71 72 A G T 3 S+ 0 0 89 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.521 94.5 152.8 74.8 4.9 11.6 27.6 52.5 72 73 A E < - 0 0 20 -3,-2.1 -1,-0.2 1,-0.1 2,-0.0 -0.460 46.0-118.4 -69.9 137.6 15.0 27.3 50.8 73 74 A S > - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.293 19.4-120.5 -63.2 151.1 17.9 29.3 52.2 74 75 A W H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.879 115.5 55.5 -65.7 -30.9 19.5 31.9 49.9 75 76 A Q H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.959 110.5 43.5 -65.0 -49.2 22.9 29.9 50.3 76 77 A S H > S+ 0 0 30 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.902 112.3 54.3 -62.7 -42.1 21.2 26.7 49.1 77 78 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.950 108.0 47.2 -53.2 -55.1 19.5 28.5 46.3 78 79 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.876 114.4 49.8 -58.1 -37.5 22.7 30.1 44.9 79 80 A R H X S+ 0 0 72 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.955 115.6 39.5 -65.6 -53.9 24.4 26.6 45.1 80 81 A N H X S+ 0 0 46 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.871 117.0 52.6 -64.9 -39.7 21.6 24.7 43.3 81 82 A N H X S+ 0 0 11 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.908 110.8 46.3 -57.0 -48.8 21.1 27.6 40.8 82 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.876 111.9 50.3 -67.6 -39.7 24.9 27.7 39.9 83 84 A M H X S+ 0 0 56 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.934 113.7 45.1 -64.1 -46.1 25.1 23.9 39.5 84 85 A S H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.901 113.4 50.1 -64.0 -42.6 22.0 23.9 37.2 85 86 A F H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.936 110.1 51.0 -62.7 -43.8 23.3 26.9 35.2 86 87 A R H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 111.8 47.2 -58.5 -50.9 26.7 25.2 34.7 87 88 A R H X S+ 0 0 138 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.891 111.6 49.8 -54.8 -48.6 25.1 22.0 33.5 88 89 A A H >X S+ 0 0 1 -4,-2.2 3,-0.5 1,-0.2 4,-0.5 0.919 113.3 47.4 -61.0 -41.3 22.9 23.9 31.1 89 90 A L H >< S+ 0 0 3 -4,-2.6 3,-0.5 1,-0.2 6,-0.4 0.858 111.9 48.8 -64.4 -43.2 25.9 25.9 29.7 90 91 A L H 3< S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.598 92.4 81.8 -74.3 -10.2 28.1 22.8 29.3 91 92 A R H << S+ 0 0 139 -4,-0.8 2,-0.4 -3,-0.5 -1,-0.2 0.884 94.3 41.7 -68.9 -34.8 25.3 20.9 27.4 92 93 A Y S X< S- 0 0 30 -3,-0.5 3,-1.9 -4,-0.5 4,-0.2 -0.859 98.5 -96.5-111.4 141.9 26.0 22.6 24.0 93 94 A R T 3 S+ 0 0 112 -2,-0.4 5,-0.1 1,-0.3 -73,-0.1 -0.318 111.5 5.5 -50.3 129.2 29.4 23.3 22.4 94 95 A D T 3> S+ 0 0 12 50,-0.1 4,-2.5 -74,-0.1 -1,-0.3 0.768 86.1 153.6 59.7 25.8 30.5 26.9 23.1 95 96 A G H <> + 0 0 4 -3,-1.9 4,-2.1 -6,-0.4 -5,-0.1 0.809 66.1 51.8 -48.8 -41.3 27.4 27.2 25.4 96 97 A A H > S+ 0 0 0 2,-0.2 4,-2.3 -7,-0.2 -1,-0.2 0.897 109.4 50.2 -70.7 -39.8 28.9 30.0 27.6 97 98 A K H > S+ 0 0 61 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.926 109.3 52.8 -61.3 -40.4 29.9 32.1 24.5 98 99 A V H < S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 -43,-0.3 0.933 111.7 46.2 -55.0 -47.0 26.2 31.6 23.3 99 100 A H H >< S+ 0 0 45 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.917 105.5 58.6 -62.2 -43.8 24.9 32.9 26.7 100 101 A L H 3< S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.699 83.7 81.6 -67.0 -24.2 27.2 35.9 26.9 101 102 A G T 3< S+ 0 0 33 -4,-1.0 2,-0.3 -3,-0.5 -1,-0.3 0.560 101.1 27.3 -55.2 -15.5 25.9 37.4 23.6 102 103 A A < - 0 0 40 -3,-1.7 3,-0.1 -4,-0.1 -1,-0.1 -0.997 64.7-131.2-148.8 159.2 22.9 38.9 25.6 103 104 A R S S- 0 0 224 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.404 71.0 -42.2 -87.0 176.0 21.4 40.2 28.8 104 105 A P - 0 0 66 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.139 62.6-139.3 -48.5 127.7 18.0 39.0 30.1 105 106 A D > - 0 0 64 -3,-0.1 3,-2.2 1,-0.1 4,-0.5 -0.523 27.0-105.5 -76.6 151.5 15.4 38.6 27.3 106 107 A E G > S+ 0 0 147 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.813 122.3 62.0 -40.2 -39.2 11.9 39.8 27.8 107 108 A K G 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.757 107.1 45.0 -65.7 -20.8 10.9 36.1 28.0 108 109 A Q G <> S+ 0 0 35 -3,-2.2 4,-2.3 1,-0.1 5,-0.3 0.483 84.3 99.2 -96.2 -3.2 13.2 35.7 31.1 109 110 A Y H <> S+ 0 0 135 -3,-1.1 4,-2.2 -4,-0.5 5,-0.2 0.875 81.6 49.4 -56.0 -47.9 12.0 38.9 32.9 110 111 A D H > S+ 0 0 137 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.897 113.2 46.4 -56.0 -53.6 9.7 37.2 35.3 111 112 A T H > S+ 0 0 45 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.941 115.8 42.1 -48.7 -60.1 12.3 34.6 36.4 112 113 A V H X S+ 0 0 39 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.809 111.5 56.2 -71.7 -30.4 15.2 37.0 37.0 113 114 A E H X S+ 0 0 118 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.938 108.4 48.9 -62.3 -43.3 13.0 39.6 38.7 114 115 A T H X S+ 0 0 42 -4,-1.7 4,-3.2 -5,-0.2 -2,-0.2 0.881 107.9 54.1 -63.9 -41.1 11.9 36.9 41.1 115 116 A Q H X S+ 0 0 22 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.937 112.0 44.2 -53.1 -49.4 15.6 35.9 41.7 116 117 A L H X S+ 0 0 43 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.878 113.4 51.1 -66.8 -40.2 16.4 39.5 42.6 117 118 A R H X S+ 0 0 112 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.946 106.8 54.7 -61.4 -52.2 13.3 39.7 44.8 118 119 A F H < S+ 0 0 20 -4,-3.2 4,-0.2 1,-0.2 -2,-0.2 0.859 107.6 48.9 -48.1 -46.6 14.2 36.5 46.7 119 120 A M H ><>S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 5,-1.8 0.950 110.4 51.1 -62.3 -44.1 17.7 37.9 47.7 120 121 A T H ><5S+ 0 0 60 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.797 106.5 55.2 -65.2 -27.6 16.1 41.1 48.9 121 122 A E T 3<5S+ 0 0 132 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.433 103.9 57.2 -80.9 -1.5 13.7 39.1 51.0 122 123 A N T < 5S- 0 0 55 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.017 131.6 -81.3-124.4 19.0 16.6 37.3 52.7 123 124 A G T < 5S+ 0 0 60 -3,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.309 90.1 121.1 106.3 -4.0 18.4 40.4 54.0 124 125 A F < - 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0 0 113 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 0.001 44.7 -93.9 -63.1 155.6 48.4 19.8 20.9 159 160 A A - 0 0 74 1,-0.1 3,-0.1 -5,-0.0 0, 0.0 -0.260 56.2 -87.9 -60.0 157.2 49.3 21.0 24.3 160 161 A A - 0 0 81 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.199 51.8 -87.5 -66.9 161.0 53.0 22.0 24.8 161 162 A P > - 0 0 89 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.621 21.9-140.5 -75.7 127.9 55.6 19.4 25.8 162 163 A D T 3 S+ 0 0 90 -2,-0.4 8,-0.0 1,-0.3 -2,-0.0 0.135 88.2 94.5 -76.1 20.8 56.1 18.7 29.6 163 164 A E T 3 S+ 0 0 183 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.796 102.0 29.0 -63.6 -37.0 59.9 18.4 28.8 164 165 A N S < S+ 0 0 148 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.1 0.678 93.3 114.3-100.0 -21.7 59.6 22.1 29.8 165 166 A L - 0 0 42 -4,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.286 63.5-130.3 -63.2 124.2 56.7 22.2 32.3 166 167 A P > - 0 0 73 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.227 30.5-100.5 -68.9 164.3 57.8 23.1 35.9 167 168 A P H > S+ 0 0 76 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.916 113.8 43.4 -62.7 -48.7 56.5 20.8 38.6 168 169 A L H > S+ 0 0 135 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.902 115.4 50.1 -65.5 -40.6 53.5 22.5 40.3 169 170 A L H > S+ 0 0 84 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.941 110.3 50.5 -59.2 -47.5 52.1 23.6 36.9 170 171 A R H X S+ 0 0 97 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.973 115.9 42.8 -51.3 -54.1 52.4 20.0 35.6 171 172 A E H X S+ 0 0 113 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.860 114.5 49.9 -65.9 -40.9 50.6 18.8 38.7 172 173 A A H X S+ 0 0 45 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.834 110.5 48.9 -63.1 -40.2 48.0 21.6 38.5 173 174 A L H X S+ 0 0 78 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.952 110.9 51.1 -67.9 -45.6 47.2 20.9 34.9 174 175 A Q H < S+ 0 0 122 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.810 111.7 50.4 -54.1 -32.1 46.9 17.2 35.8 175 176 A I H >< S+ 0 0 99 -4,-1.2 3,-0.6 -5,-0.2 4,-0.4 0.906 110.7 43.8 -74.7 -47.2 44.5 18.5 38.6 176 177 A M H 3< S+ 0 0 86 -4,-2.5 5,-0.4 1,-0.3 2,-0.3 0.715 115.9 57.0 -69.5 -24.6 42.2 20.7 36.4 177 178 A D T 3< S+ 0 0 90 -4,-2.3 -1,-0.3 -5,-0.2 3,-0.1 -0.572 82.9 79.3-101.0 63.0 42.4 17.7 34.0 178 179 A S S < S+ 0 0 91 -3,-0.6 2,-0.2 1,-0.3 -1,-0.1 0.437 111.4 2.7-123.2 -29.4 41.1 14.8 36.3 179 180 A D S S- 0 0 42 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.1 -0.495 104.2 -77.4-125.0-156.7 37.3 15.7 35.9 180 181 A D S S- 0 0 120 -2,-0.2 -3,-0.1 -3,-0.1 -33,-0.1 -0.228 83.6 -75.9-101.7 46.4 35.9 18.4 33.7 181 182 A G S > S+ 0 0 6 -5,-0.4 4,-2.1 -6,-0.2 5,-0.1 0.518 98.4 129.8 69.9 12.4 36.8 21.2 36.3 182 183 A E H > + 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.899 69.0 48.5 -59.3 -46.3 33.9 20.2 38.6 183 184 A Q H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 113.1 46.7 -62.2 -47.3 35.9 19.9 41.8 184 185 A A H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 114.9 49.2 -58.2 -42.1 37.6 23.3 41.2 185 186 A F H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 112.0 45.6 -64.9 -46.6 34.1 24.8 40.4 186 187 A L H X S+ 0 0 62 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.877 113.9 49.7 -69.9 -33.4 32.4 23.3 43.5 187 188 A H H X S+ 0 0 146 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.949 112.6 46.2 -70.4 -45.3 35.2 24.4 45.8 188 189 A G H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.855 108.7 57.6 -63.7 -36.5 35.3 27.9 44.5 189 190 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.906 106.2 47.5 -61.4 -45.4 31.4 28.1 44.7 190 191 A E H X S+ 0 0 81 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.917 110.9 52.9 -63.0 -41.4 31.4 27.3 48.5 191 192 A S H X S+ 0 0 75 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.954 111.4 46.6 -56.0 -49.4 34.2 30.0 49.0 192 193 A L H X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 112.4 48.2 -58.5 -53.3 32.0 32.5 47.2 193 194 A I H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.925 113.1 47.4 -57.1 -47.3 28.8 31.7 49.1 194 195 A R H X S+ 0 0 154 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.923 109.1 55.7 -59.9 -44.3 30.6 31.9 52.5 195 196 A G H X S+ 0 0 41 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.905 109.2 47.0 -49.9 -48.2 32.2 35.2 51.5 196 197 A F H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.839 110.6 50.9 -62.3 -42.7 28.8 36.5 50.8 197 198 A E H X S+ 0 0 57 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.933 107.9 52.9 -64.9 -45.0 27.4 35.3 54.1 198 199 A V H X S+ 0 0 69 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.929 112.5 46.5 -51.6 -44.2 30.3 36.9 56.1 199 200 A Q H X S+ 0 0 108 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.909 113.9 46.1 -65.8 -48.2 29.4 40.2 54.3 200 201 A L H >< S+ 0 0 42 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.898 113.3 48.6 -60.3 -44.4 25.6 40.0 54.9 201 202 A T H 3< S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 100.5 66.3 -70.7 -27.9 26.0 39.0 58.6 202 203 A A H >< S+ 0 0 13 -4,-1.6 3,-2.6 -5,-0.3 -1,-0.2 0.741 73.5 173.7 -66.2 -27.1 28.5 41.8 59.3 203 204 A L T << S- 0 0 148 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 -0.343 74.2 -14.9 53.6-118.2 25.8 44.5 58.7 204 205 A L T 3 S+ 0 0 170 -2,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.417 107.8 119.0 -93.9 0.1 27.5 47.8 59.6 205 206 A Q S < S- 0 0 149 -3,-2.6 2,-0.3 -4,-0.1 -3,-0.0 -0.379 75.3-109.8 -65.9 140.3 30.5 46.2 61.5 206 207 A I 0 0 173 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.588 360.0 360.0 -65.7 129.7 34.0 46.8 60.2 207 208 A V 0 0 134 -2,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.457 360.0 360.0-139.7 360.0 34.9 43.4 58.8