==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 04-MAR-94 2TRT . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HINRICHS,C.KISKER,W.SAENGER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 75.8 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 . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 61.1 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 0 2 0 0 2 1 0 0 0 0 1 0 0 0 0 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 2 A A 0 0 90 0, 0.0 2,-0.4 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 158.4 12.1 21.3 6.5 2 3 A R - 0 0 191 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.772 360.0-152.8 -90.7 142.4 9.3 22.8 8.6 3 4 A L + 0 0 26 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 -0.099 43.7 118.0-118.1 39.7 10.2 26.4 9.2 4 5 A N S >> S- 0 0 52 1,-0.1 4,-2.2 39,-0.0 3,-0.6 -0.628 79.3 -89.8 -93.8 166.1 8.7 27.9 12.4 5 6 A R H 3> S+ 0 0 128 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.830 125.7 52.8 -36.5 -49.9 10.7 29.2 15.4 6 7 A E H 3> S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 111.4 43.9 -61.4 -48.4 10.9 25.8 17.1 7 8 A S H <> S+ 0 0 40 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.827 114.1 52.4 -68.2 -30.8 12.3 23.9 14.0 8 9 A V H X S+ 0 0 6 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.926 108.7 48.1 -68.1 -47.1 14.8 26.8 13.3 9 10 A I H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.961 112.7 51.1 -60.4 -46.6 16.2 26.8 16.9 10 11 A D H X S+ 0 0 74 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.861 112.6 43.0 -53.8 -44.3 16.6 23.0 16.7 11 12 A A H X S+ 0 0 9 -4,-1.6 4,-3.3 2,-0.2 -1,-0.2 0.941 113.7 53.9 -72.0 -40.9 18.4 23.0 13.5 12 13 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.847 111.2 43.6 -64.9 -35.4 20.5 25.9 14.8 13 14 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.961 113.5 52.4 -69.6 -48.6 21.5 24.0 18.0 14 15 A E H X S+ 0 0 100 -4,-2.3 4,-1.0 1,-0.2 3,-0.5 0.966 113.1 44.0 -46.5 -55.6 22.2 20.9 16.0 15 16 A L H >X S+ 0 0 8 -4,-3.3 4,-2.9 1,-0.2 3,-0.7 0.866 107.8 58.3 -60.7 -39.6 24.4 23.0 13.7 16 17 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.871 103.4 55.4 -59.0 -37.0 26.1 24.8 16.7 17 18 A N H 3< S+ 0 0 78 -4,-2.3 -1,-0.3 -3,-0.5 -2,-0.2 0.795 114.1 38.2 -64.7 -31.2 27.2 21.4 18.0 18 19 A E H << S+ 0 0 112 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.909 135.0 17.8 -85.5 -43.9 29.0 20.5 14.6 19 20 A T H X S- 0 0 47 -4,-2.9 4,-0.6 1,-0.2 3,-0.2 0.594 91.8-137.1-103.5 -14.6 30.4 23.9 13.8 20 21 A G T < - 0 0 0 -4,-2.0 -1,-0.2 -5,-0.5 3,-0.2 -0.322 49.3 -57.8 75.4-171.8 30.5 26.0 17.0 21 22 A I T >4 S+ 0 0 17 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.835 133.6 52.6 -79.4 -36.9 29.4 29.6 16.8 22 23 A D T 34 S+ 0 0 137 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.699 112.6 47.4 -78.5 -16.6 31.9 31.1 14.3 23 24 A G T 3< S+ 0 0 27 -4,-0.6 2,-1.6 -3,-0.2 -1,-0.3 0.337 87.0 103.6 -95.0 3.8 30.8 28.3 11.8 24 25 A L < + 0 0 0 -3,-1.0 2,-0.3 -5,-0.2 -1,-0.1 -0.599 50.9 162.0 -91.7 83.4 27.2 29.1 12.6 25 26 A T > - 0 0 54 -2,-1.6 4,-2.6 1,-0.1 5,-0.2 -0.802 52.4-126.6-101.2 146.9 26.2 31.0 9.5 26 27 A T H > S+ 0 0 47 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.831 115.4 58.1 -55.7 -28.5 22.7 31.7 8.2 27 28 A R H > S+ 0 0 144 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.978 108.2 42.0 -66.8 -51.4 24.1 30.1 4.9 28 29 A K H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.836 114.9 52.6 -66.1 -25.7 25.0 26.8 6.7 29 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.944 110.6 46.9 -71.2 -44.4 21.7 26.9 8.5 30 31 A A H X>S+ 0 0 2 -4,-2.5 5,-1.5 2,-0.2 4,-1.4 0.984 114.8 46.4 -57.7 -53.6 19.8 27.4 5.2 31 32 A Q H ><5S+ 0 0 113 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.930 111.5 53.0 -54.9 -44.2 21.8 24.5 3.6 32 33 A K H 3<5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.2 43.5 -63.2 -38.3 21.1 22.4 6.8 33 34 A L H 3<5S- 0 0 18 -4,-2.4 -1,-0.3 -3,-0.2 -2,-0.2 0.607 113.9-122.2 -77.5 -14.7 17.3 23.0 6.5 34 35 A G T <<5S+ 0 0 62 -4,-1.4 2,-0.3 -3,-0.8 -3,-0.2 0.978 71.8 113.3 73.0 55.9 17.5 22.4 2.8 35 36 A I < - 0 0 35 -5,-1.5 2,-0.4 -6,-0.1 -1,-0.3 -0.863 68.2 -95.2-147.3 176.9 16.1 25.7 1.8 36 37 A E >> - 0 0 142 -2,-0.3 4,-1.6 -3,-0.1 3,-1.5 -0.800 35.9-108.5-105.0 147.0 17.3 28.7 0.0 37 38 A Q H 3> S+ 0 0 94 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.722 114.4 54.4 -49.5 -34.2 18.6 31.8 1.7 38 39 A P H 3> S+ 0 0 93 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.835 109.2 52.3 -71.7 -24.1 15.5 34.2 0.9 39 40 A T H X> S+ 0 0 61 -3,-1.5 4,-1.0 2,-0.2 3,-1.0 0.946 110.9 45.6 -64.8 -54.1 13.3 31.5 2.6 40 41 A L H >X S+ 0 0 4 -4,-1.6 4,-2.4 1,-0.3 3,-2.0 0.961 109.2 55.9 -56.4 -50.9 15.5 31.5 5.6 41 42 A Y H 3< S+ 0 0 152 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.675 95.4 65.1 -64.4 -16.5 15.6 35.3 5.7 42 43 A W H << S+ 0 0 188 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.903 119.3 25.4 -66.3 -37.0 11.8 35.4 5.8 43 44 A H H << S+ 0 0 69 -3,-2.0 2,-0.8 -4,-1.0 -2,-0.2 0.941 127.9 37.5 -89.2 -57.2 12.1 33.7 9.2 44 45 A V < - 0 0 17 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.1 -0.788 59.3-171.7-105.2 90.9 15.6 34.6 10.7 45 46 A K - 0 0 116 -2,-0.8 2,-0.3 -3,-0.2 -1,-0.1 0.737 65.6 -27.6 -53.0 -30.8 16.6 38.2 9.9 46 47 A N > - 0 0 79 1,-0.1 4,-2.6 -20,-0.0 -1,-0.1 -0.982 62.1 -85.0-174.1 171.9 20.1 37.6 11.2 47 48 A K H > S+ 0 0 65 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.801 119.4 50.8 -52.1 -40.9 22.8 36.0 13.4 48 49 A R H > S+ 0 0 114 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.976 111.1 49.6 -68.2 -46.6 22.2 38.3 16.4 49 50 A A H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.928 116.8 44.2 -54.7 -41.0 18.5 37.5 16.3 50 51 A L H X S+ 0 0 6 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.951 112.4 47.8 -72.6 -44.6 19.5 33.9 16.1 51 52 A L H X S+ 0 0 14 -4,-3.4 4,-2.7 1,-0.2 3,-0.4 0.959 111.3 52.3 -64.9 -41.6 22.2 33.9 18.8 52 53 A D H X S+ 0 0 71 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.940 108.6 49.6 -58.2 -49.0 20.0 35.7 21.2 53 54 A A H X S+ 0 0 11 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.3 0.779 110.3 50.8 -61.7 -30.0 17.2 33.2 20.7 54 55 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.4 5,-0.2 0.892 104.9 57.3 -73.4 -41.6 19.6 30.3 21.3 55 56 A A H X S+ 0 0 9 -4,-2.7 4,-1.2 43,-0.2 -2,-0.2 0.950 111.7 42.4 -51.0 -50.0 20.8 31.9 24.5 56 57 A V H X S+ 0 0 12 -4,-1.9 4,-2.4 1,-0.2 3,-0.2 0.978 114.7 52.6 -61.8 -51.4 17.2 31.9 25.8 57 58 A E H X S+ 0 0 38 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.748 101.7 53.7 -62.8 -37.2 16.6 28.4 24.5 58 59 A I H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 3,-0.4 0.962 113.7 45.2 -62.8 -42.5 19.5 26.5 26.0 59 60 A L H >X S+ 0 0 19 -4,-1.2 4,-3.5 1,-0.3 3,-0.7 0.992 112.5 51.0 -65.3 -59.4 18.5 27.7 29.5 60 61 A A H 3< S+ 0 0 74 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.624 119.9 36.0 -52.8 -21.6 14.9 27.0 28.9 61 62 A R H 3< S+ 0 0 96 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.709 135.7 16.7 -99.3 -29.9 15.7 23.5 27.8 62 63 A H H << S+ 0 0 36 -4,-2.9 2,-0.8 -3,-0.7 -3,-0.2 0.389 98.7 86.3-128.1 7.3 18.5 22.6 30.1 63 64 A H < + 0 0 27 -4,-3.5 -1,-0.1 -5,-0.2 22,-0.1 -0.855 45.9 162.6-110.9 96.3 18.7 25.0 33.0 64 65 A D + 0 0 115 -2,-0.8 2,-2.2 1,-0.2 3,-0.4 0.876 57.6 64.1 -79.5 -40.5 16.3 23.5 35.6 65 66 A Y + 0 0 60 15,-0.3 -1,-0.2 1,-0.2 20,-0.1 -0.486 59.3 126.6 -89.4 74.4 17.2 25.1 39.0 66 67 A S + 0 0 27 -2,-2.2 -1,-0.2 1,-0.1 49,-0.1 0.553 66.6 50.8-101.9 -10.2 16.2 28.6 38.1 67 68 A L S S- 0 0 82 -3,-0.4 2,-0.2 47,-0.1 -1,-0.1 -0.958 87.3-112.2-132.5 139.0 13.9 29.0 41.0 68 69 A P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.472 31.0-119.7 -69.2 139.2 14.4 28.4 44.8 69 70 A A > - 0 0 50 -2,-0.2 3,-1.8 4,-0.1 2,-0.5 -0.330 42.5 -83.2 -72.1 160.0 12.6 25.7 46.4 70 71 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.604 118.4 13.2 -66.7 117.1 10.2 26.5 49.4 71 72 A G T 3 S+ 0 0 89 -2,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.565 94.2 141.3 92.4 13.3 12.3 26.8 52.5 72 73 A E < - 0 0 25 -3,-1.8 -1,-0.3 1,-0.1 2,-0.2 -0.633 48.9-122.3 -95.0 146.8 15.7 27.0 50.7 73 74 A S > - 0 0 54 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.522 22.2-114.6 -81.2 160.7 18.4 29.2 51.8 74 75 A W H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.733 117.7 52.9 -63.8 -20.5 20.0 31.8 49.6 75 76 A Q H > S+ 0 0 37 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.854 110.1 44.7 -84.9 -37.5 23.2 29.8 49.8 76 77 A S H > S+ 0 0 32 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.940 114.0 50.4 -73.1 -44.8 21.7 26.6 48.7 77 78 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.986 112.0 48.4 -54.4 -58.3 19.7 28.4 45.9 78 79 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 5,-0.2 0.865 115.6 45.2 -52.0 -34.7 23.0 30.1 44.7 79 80 A R H X S+ 0 0 67 -4,-1.7 4,-2.0 2,-0.2 3,-0.3 0.999 116.4 42.7 -70.1 -59.8 24.8 26.7 44.8 80 81 A N H X S+ 0 0 45 -4,-2.9 4,-1.5 1,-0.2 -15,-0.3 0.790 115.9 50.2 -55.8 -34.3 22.0 24.7 43.1 81 82 A N H X S+ 0 0 20 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.913 108.8 50.4 -69.0 -44.2 21.4 27.4 40.5 82 83 A A H X S+ 0 0 0 -4,-1.7 4,-3.1 -5,-0.3 -2,-0.2 0.900 111.6 47.9 -67.6 -39.1 25.1 27.9 39.5 83 84 A M H X S+ 0 0 48 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.961 111.9 49.5 -66.6 -48.0 25.6 24.2 38.9 84 85 A S H X S+ 0 0 1 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.844 113.5 47.0 -58.2 -43.2 22.5 24.0 36.9 85 86 A F H X S+ 0 0 16 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.942 107.7 55.3 -65.7 -46.6 23.6 27.0 34.8 86 87 A R H < S+ 0 0 15 -4,-3.1 4,-0.3 1,-0.2 -2,-0.2 0.871 111.9 46.3 -53.1 -37.7 27.1 25.5 34.3 87 88 A R H >X S+ 0 0 94 -4,-2.0 4,-1.1 2,-0.2 3,-1.0 0.870 106.6 53.3 -82.0 -39.7 25.5 22.5 32.9 88 89 A A H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.951 111.8 51.9 -52.8 -41.8 23.0 24.1 30.5 89 90 A L T 3< S+ 0 0 3 -4,-2.2 7,-0.6 1,-0.2 6,-0.3 0.563 108.4 47.9 -67.5 -17.1 26.0 26.0 29.1 90 91 A L T <4 S+ 0 0 51 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.640 88.7 82.5-103.9 -17.0 28.1 22.9 28.5 91 92 A R S << S+ 0 0 117 -4,-1.1 2,-0.4 -3,-0.7 -2,-0.2 0.783 96.7 45.0 -52.5 -36.5 25.3 20.9 26.7 92 93 A Y S > S- 0 0 21 -4,-0.5 3,-2.8 -3,-0.0 4,-0.2 -0.961 96.1-104.3-119.0 134.8 26.2 22.7 23.5 93 94 A R T 3 S+ 0 0 106 -2,-0.4 -73,-0.1 1,-0.3 -75,-0.1 -0.248 113.0 7.8 -52.4 131.1 29.6 23.4 21.9 94 95 A D T 3> S+ 0 0 11 -74,-0.1 4,-2.1 1,-0.1 -1,-0.3 0.644 86.3 146.9 59.6 27.2 30.3 27.1 22.5 95 96 A G H <> S+ 0 0 1 -3,-2.8 4,-1.3 -6,-0.3 -5,-0.2 0.871 72.1 47.2 -57.1 -39.6 27.2 27.3 24.7 96 97 A A H > S+ 0 0 0 -7,-0.6 4,-1.7 -4,-0.2 -1,-0.2 0.824 106.7 54.8 -79.1 -32.1 28.9 29.9 26.9 97 98 A K H 4 S+ 0 0 58 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.867 106.3 55.3 -63.5 -35.4 30.1 32.1 24.0 98 99 A V H < S+ 0 0 1 -4,-2.1 -43,-0.2 1,-0.2 -2,-0.2 0.906 108.1 48.0 -59.1 -47.9 26.4 32.2 22.9 99 100 A H H >< S+ 0 0 39 -4,-1.3 3,-2.2 -44,-0.1 -2,-0.2 0.851 85.5 112.5 -60.8 -44.5 25.3 33.5 26.4 100 101 A L T 3< S+ 0 0 75 -4,-1.7 3,-0.1 1,-0.3 -45,-0.1 0.054 84.7 6.1 -37.6 133.0 27.9 36.3 26.6 101 102 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.340 96.3 128.7 76.5 -10.1 26.6 39.9 26.5 102 103 A T < - 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0 0 85 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.458 360.0-118.8 -63.5 133.2 58.1 23.0 33.0 158 167 A P > - 0 0 77 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.562 40.2-102.5 -60.6 144.4 59.2 24.4 36.4 159 168 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.805 116.0 45.2 -43.4 -47.4 58.1 21.6 39.0 160 169 A L H > S+ 0 0 141 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.967 111.7 50.1 -68.4 -47.0 55.0 23.3 40.4 161 170 A L H > S+ 0 0 86 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.915 109.4 55.0 -58.5 -43.6 53.4 24.4 37.1 162 171 A R H X S+ 0 0 146 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.938 112.2 42.1 -47.7 -53.8 54.0 20.8 35.8 163 172 A E H X S+ 0 0 109 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 113.5 51.9 -67.3 -44.7 52.0 19.5 38.8 164 173 A A H X S+ 0 0 47 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.937 109.4 50.0 -56.2 -47.7 49.3 22.2 38.5 165 174 A L H X S+ 0 0 69 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.948 109.6 52.0 -56.4 -51.7 48.8 21.4 34.7 166 175 A Q H X S+ 0 0 92 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.920 113.9 43.3 -49.5 -47.8 48.5 17.7 35.7 167 176 A I H X S+ 0 0 96 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.916 112.4 53.1 -63.6 -44.0 45.8 18.7 38.3 168 177 A M H >< S+ 0 0 106 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.891 115.4 39.7 -56.1 -48.4 44.0 21.1 36.0 169 178 A D H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.859 91.1 89.4 -76.4 -37.1 43.7 18.6 33.3 170 179 A S H 3< S+ 0 0 101 -4,-2.5 2,-0.3 -5,-0.3 -1,-0.2 0.677 102.2 11.3 -36.1 -32.6 42.8 15.6 35.6 171 180 A D S << S- 0 0 47 -4,-0.5 0, 0.0 -3,-0.5 0, 0.0 -0.896 94.7 -86.7-137.3-178.4 39.1 16.4 35.4 172 181 A D S S- 0 0 75 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.1 0.564 73.7 -94.2 -59.7 -6.7 36.7 18.6 33.4 173 182 A G S > S+ 0 0 19 -26,-0.0 4,-1.2 -4,-0.0 -1,-0.1 0.533 95.0 122.8 94.6 12.6 37.3 21.5 35.8 174 183 A E H > S+ 0 0 80 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.869 71.9 50.8 -74.4 -35.2 34.2 20.6 37.8 175 184 A Q H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 111.6 46.1 -69.3 -43.7 36.3 20.2 41.1 176 185 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.829 116.0 47.8 -64.0 -32.4 37.9 23.6 40.7 177 186 A F H X S+ 0 0 3 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.964 110.4 49.1 -73.5 -56.3 34.6 25.1 39.9 178 187 A L H X S+ 0 0 62 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.849 115.0 47.0 -54.9 -37.5 32.7 23.4 42.8 179 188 A H H >X S+ 0 0 140 -4,-2.5 4,-1.8 2,-0.2 3,-0.6 0.895 109.7 49.3 -73.2 -43.7 35.4 24.7 45.2 180 189 A G H 3X S+ 0 0 22 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.850 107.7 59.9 -61.6 -30.2 35.6 28.3 43.9 181 190 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.797 102.8 49.4 -65.3 -32.0 31.7 28.3 44.2 182 191 A E H < S+ 0 0 12 -4,-1.9 3,-2.5 -5,-0.3 2,-0.4 0.965 70.9 144.9 -67.5 -49.9 28.7 42.0 59.0 195 204 A L T 3< S+ 0 0 127 -4,-2.1 -1,-0.2 -5,-0.3 4,-0.1 -0.337 81.9 10.6 44.8 -98.3 27.1 44.9 57.1 196 205 A L T 3 S+ 0 0 158 -2,-0.4 -1,-0.3 -3,-0.2 2,-0.3 0.648 110.1 89.9 -83.0 -19.2 27.9 47.9 59.4 197 206 A Q S < S- 0 0 150 -3,-2.5 2,-0.1 -4,-0.2 -3,-0.0 -0.585 94.5-108.8 -65.1 130.1 30.3 46.1 61.7 198 207 A I 0 0 164 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.568 360.0 360.0 -56.0 137.7 33.8 46.6 60.0 199 208 A V 0 0 117 -2,-0.1 -1,-0.2 -4,-0.1 -8,-0.1 0.454 360.0 360.0-135.6 360.0 34.8 43.2 58.6