==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 23-JUL-12 4B3A . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.ELTSCHKNER,S.SCHINDLER,G.J.PALM,J.SCHNEIDER,W.HINRICHS . 199 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 71.4 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 62.3 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 2 0 0 0 1 0 1 0 0 1 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,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-168.2 11.8 20.6 5.9 2 3 A R - 0 0 160 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.351 360.0-168.8 -67.5 135.7 9.6 22.3 8.5 3 4 A L + 0 0 25 -2,-0.1 -1,-0.1 4,-0.1 2,-0.0 0.017 36.8 128.7-119.5 29.8 10.4 26.0 9.3 4 5 A N S > S- 0 0 46 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.361 76.9 -97.8 -71.0 169.1 8.4 26.9 12.4 5 6 A R H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 123.6 52.8 -56.0 -47.8 10.4 28.5 15.2 6 7 A E H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 112.1 45.2 -56.2 -41.4 10.8 25.2 17.1 7 8 A S H > S+ 0 0 29 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.858 110.2 52.0 -74.5 -38.7 12.2 23.4 14.0 8 9 A V H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 111.4 49.1 -62.7 -42.9 14.6 26.2 13.0 9 10 A I H X S+ 0 0 6 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.911 108.1 53.1 -64.0 -44.6 16.0 26.3 16.5 10 11 A D H X S+ 0 0 69 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.889 112.4 45.6 -53.0 -48.6 16.5 22.4 16.5 11 12 A A H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.874 110.9 52.5 -64.5 -41.7 18.5 22.6 13.3 12 13 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.900 110.2 47.9 -65.4 -39.9 20.5 25.6 14.5 13 14 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 111.1 51.1 -66.0 -44.6 21.5 23.7 17.7 14 15 A E H X S+ 0 0 104 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.936 113.6 45.1 -52.4 -48.4 22.4 20.6 15.7 15 16 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.877 108.5 56.5 -66.0 -40.3 24.6 22.8 13.4 16 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.902 108.1 49.4 -56.6 -44.4 26.1 24.6 16.4 17 18 A N H < S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 116.2 41.6 -59.7 -40.2 27.2 21.2 17.8 18 19 A E H < S+ 0 0 104 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.804 133.2 18.2 -77.8 -33.1 28.8 20.2 14.4 19 20 A T H X S- 0 0 33 -4,-2.5 4,-0.6 1,-0.1 -3,-0.2 0.565 94.7-132.1-119.9 -15.8 30.4 23.6 13.5 20 21 A G H X - 0 0 1 -4,-2.5 4,-1.0 -5,-0.4 -1,-0.1 -0.133 43.7 -65.2 71.9 178.4 30.7 25.6 16.7 21 22 A I H 4 S+ 0 0 17 2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.898 131.3 48.5 -70.9 -45.4 29.7 29.3 16.9 22 23 A D H 4 S+ 0 0 130 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.818 116.4 46.2 -69.9 -31.4 32.2 31.0 14.5 23 24 A G H < S+ 0 0 21 -4,-0.6 -1,-0.2 -7,-0.1 2,-0.2 0.631 89.0 101.8 -83.7 -18.4 31.4 28.3 11.9 24 25 A L < + 0 0 0 -4,-1.0 2,-0.3 -3,-0.3 3,-0.1 -0.500 50.4 161.3 -63.5 129.8 27.6 28.6 12.4 25 26 A T > - 0 0 47 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.963 52.2-116.8-147.8 162.8 26.1 30.6 9.5 26 27 A T H > S+ 0 0 46 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.903 115.5 55.7 -70.0 -37.2 22.7 31.2 7.8 27 28 A R H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.943 112.0 43.4 -59.3 -43.3 24.0 29.8 4.5 28 29 A K H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.844 112.6 52.7 -73.6 -31.8 24.9 26.6 6.4 29 30 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.935 107.6 51.1 -65.1 -45.6 21.6 26.6 8.3 30 31 A A H <>S+ 0 0 2 -4,-3.2 5,-2.5 1,-0.2 4,-0.4 0.926 110.2 51.3 -53.6 -46.0 19.7 26.9 5.0 31 32 A Q H ><5S+ 0 0 138 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.2 0.924 109.6 48.2 -57.2 -49.9 21.7 23.9 3.7 32 33 A K H 3<5S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.906 112.7 49.4 -58.5 -42.7 20.9 21.8 6.8 33 34 A L T 3<5S- 0 0 8 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.432 111.7-120.8 -76.8 -5.7 17.2 22.7 6.4 34 35 A G T < 5S+ 0 0 66 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.836 72.3 118.1 68.1 35.9 17.1 21.8 2.7 35 36 A I < - 0 0 30 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.871 67.4-101.8-130.9 161.8 16.1 25.3 1.7 36 37 A E > - 0 0 141 -2,-0.3 4,-1.7 -3,-0.1 3,-0.5 -0.488 38.2-111.8 -77.2 155.1 17.2 28.3 -0.3 37 38 A Q H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.857 115.2 53.3 -62.8 -41.3 18.7 31.3 1.5 38 39 A P H > S+ 0 0 101 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.865 106.9 54.9 -61.9 -32.4 15.8 33.7 0.7 39 40 A T H > S+ 0 0 61 -3,-0.5 4,-0.9 2,-0.2 3,-0.4 0.933 108.9 47.4 -59.1 -47.7 13.4 31.2 2.2 40 41 A L H >X S+ 0 0 4 -4,-1.7 4,-3.0 1,-0.2 3,-1.2 0.916 104.0 61.6 -60.6 -40.9 15.5 31.1 5.4 41 42 A Y H 3< S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 94.6 61.4 -61.9 -33.9 15.6 34.9 5.6 42 43 A W H 3< S+ 0 0 190 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.916 118.9 28.6 -53.3 -42.3 11.8 35.1 5.8 43 44 A H H << S+ 0 0 75 -3,-1.2 2,-0.4 -4,-0.9 -2,-0.2 0.841 131.7 29.7 -91.3 -35.6 12.2 33.1 9.1 44 45 A V < - 0 0 14 -4,-3.0 -1,-0.3 1,-0.1 3,-0.1 -0.980 61.0-168.6-131.7 115.8 15.7 34.1 10.4 45 46 A K - 0 0 101 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.850 65.4 -20.9 -79.7 -34.5 17.0 37.6 9.5 46 47 A N > - 0 0 79 1,-0.1 4,-1.3 -21,-0.0 3,-0.2 -0.948 69.2 -87.7-159.5 179.3 20.6 37.3 10.6 47 48 A K H > S+ 0 0 66 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.844 119.4 57.6 -67.8 -34.2 23.1 35.3 12.8 48 49 A R H > S+ 0 0 155 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.855 103.9 51.2 -64.3 -38.8 22.5 37.6 15.9 49 50 A A H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 112.2 48.1 -65.6 -39.5 18.8 36.8 15.9 50 51 A L H X S+ 0 0 5 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.933 111.0 49.5 -67.0 -47.6 19.6 33.2 15.8 51 52 A L H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.906 110.2 50.5 -57.3 -48.5 22.2 33.5 18.6 52 53 A D H X S+ 0 0 77 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.887 113.5 46.6 -55.1 -47.6 19.8 35.4 20.9 53 54 A A H X S+ 0 0 13 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.906 110.2 52.0 -61.4 -48.5 17.1 32.7 20.3 54 55 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.861 105.5 55.6 -59.7 -36.6 19.6 29.8 20.9 55 56 A A H X S+ 0 0 7 -4,-2.0 4,-1.0 43,-0.2 -1,-0.2 0.888 112.5 42.8 -64.2 -37.0 20.7 31.4 24.3 56 57 A V H X S+ 0 0 14 -4,-1.2 4,-2.3 -5,-0.2 -2,-0.2 0.938 116.9 46.2 -70.4 -48.3 17.0 31.4 25.4 57 58 A E H X S+ 0 0 27 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.865 103.9 60.2 -71.1 -36.3 16.2 27.9 24.1 58 59 A I H X S+ 0 0 3 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.920 113.7 39.0 -55.1 -44.8 19.4 26.2 25.4 59 60 A L H X S+ 0 0 31 -4,-1.0 4,-2.3 -5,-0.2 -2,-0.2 0.890 112.7 55.4 -70.9 -42.4 18.2 27.2 29.0 60 61 A A H < S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 117.2 37.7 -54.3 -42.2 14.6 26.5 28.3 61 62 A R H < S+ 0 0 91 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.870 135.4 14.4 -79.3 -35.9 15.5 23.0 27.2 62 63 A H H < S+ 0 0 41 -4,-2.0 2,-1.0 -5,-0.2 -3,-0.2 0.478 96.6 89.3-127.8 -4.9 18.3 22.1 29.7 63 64 A H < + 0 0 27 -4,-2.3 3,-0.3 -5,-0.2 22,-0.1 -0.791 45.1 162.8 -99.3 90.4 18.4 24.6 32.7 64 65 A D + 0 0 120 -2,-1.0 2,-0.3 1,-0.2 3,-0.2 0.556 58.6 64.8 -94.7 -8.3 16.0 22.8 35.0 65 66 A Y + 0 0 61 16,-0.2 -1,-0.2 15,-0.2 20,-0.2 -0.475 56.5 127.4-111.0 59.3 16.9 24.5 38.4 66 67 A S + 0 0 31 -2,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.644 66.8 51.8 -85.5 -13.6 15.8 28.1 37.6 67 68 A L S S- 0 0 82 -3,-0.2 -1,-0.1 47,-0.0 2,-0.1 -0.963 85.0-112.4-130.7 141.4 13.6 28.4 40.7 68 69 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.343 34.1-113.9 -68.8 147.2 14.2 27.7 44.5 69 70 A A > - 0 0 49 1,-0.1 3,-1.9 4,-0.1 2,-0.2 -0.275 48.6 -75.6 -71.1 164.0 12.4 24.9 46.2 70 71 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.0 0, 0.0 -0.505 121.7 2.5 -62.6 127.0 9.9 25.6 49.0 71 72 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.446 94.8 154.9 72.8 4.2 11.8 26.6 52.0 72 73 A E < - 0 0 24 -3,-1.9 -1,-0.2 1,-0.1 2,-0.0 -0.373 44.4-118.1 -68.9 137.8 15.2 26.4 50.2 73 74 A S > - 0 0 57 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.295 19.3-119.4 -65.4 155.7 18.1 28.5 51.5 74 75 A W H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.896 114.9 55.0 -64.3 -33.3 19.5 31.2 49.3 75 76 A Q H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 109.7 44.9 -63.2 -49.4 22.9 29.4 49.5 76 77 A S H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.870 111.7 53.4 -62.5 -39.7 21.4 26.1 48.3 77 78 A F H X S+ 0 0 2 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.946 109.3 47.4 -63.4 -47.8 19.5 27.8 45.5 78 79 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.900 114.4 48.6 -57.2 -43.8 22.6 29.6 44.2 79 80 A R H X S+ 0 0 74 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.968 116.5 40.6 -58.0 -57.5 24.5 26.2 44.3 80 81 A N H X S+ 0 0 43 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.882 115.8 51.3 -61.3 -41.0 21.7 24.3 42.6 81 82 A N H X S+ 0 0 19 -4,-3.2 4,-2.6 -5,-0.3 -1,-0.2 0.930 111.1 48.5 -62.0 -44.5 21.1 27.1 40.1 82 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.894 110.1 49.7 -65.6 -43.0 24.8 27.3 39.2 83 84 A M H X S+ 0 0 50 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.917 113.6 46.9 -61.5 -43.2 25.2 23.6 38.6 84 85 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.906 112.3 50.3 -63.6 -43.0 22.1 23.5 36.4 85 86 A F H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.962 110.9 49.1 -60.4 -50.5 23.4 26.6 34.5 86 87 A R H X S+ 0 0 14 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.887 110.2 50.3 -54.2 -47.9 26.8 25.0 33.9 87 88 A R H X S+ 0 0 125 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.911 111.0 50.0 -58.3 -44.9 25.2 21.7 32.7 88 89 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.920 110.8 48.1 -62.3 -44.9 23.1 23.6 30.3 89 90 A L H 3< S+ 0 0 1 -4,-2.5 7,-0.5 1,-0.2 6,-0.4 0.780 110.9 52.2 -64.9 -33.2 26.0 25.6 28.9 90 91 A L H 3< S+ 0 0 49 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.652 89.5 81.8 -75.9 -14.2 28.1 22.5 28.5 91 92 A R S << S+ 0 0 151 -4,-0.8 2,-0.4 -3,-0.8 -1,-0.2 0.790 95.0 36.4 -70.6 -32.8 25.4 20.7 26.5 92 93 A Y S > S- 0 0 25 -4,-0.5 3,-1.9 -3,-0.3 4,-0.2 -0.934 98.4 -93.9-114.7 146.8 26.1 22.2 23.1 93 94 A R T 3 S+ 0 0 108 -2,-0.4 -73,-0.1 1,-0.3 -74,-0.1 -0.329 112.6 4.3 -49.3 131.2 29.5 23.2 21.6 94 95 A D T 3> S+ 0 0 14 -74,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.719 86.6 146.2 54.1 27.6 30.2 26.9 22.3 95 96 A G H <> + 0 0 1 -3,-1.9 4,-1.9 -6,-0.4 -5,-0.2 0.899 69.6 50.0 -56.3 -42.4 27.1 27.0 24.4 96 97 A A H > S+ 0 0 0 -7,-0.5 4,-1.3 -4,-0.2 -1,-0.2 0.859 107.9 53.3 -68.1 -38.6 28.6 29.5 26.8 97 98 A K H 4 S+ 0 0 67 2,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.888 108.1 51.3 -59.3 -40.5 29.7 31.7 23.9 98 99 A V H < S+ 0 0 5 -4,-2.3 -43,-0.2 1,-0.2 -2,-0.2 0.905 110.7 49.5 -63.5 -37.6 26.1 31.7 22.6 99 100 A A H >< S+ 0 0 15 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.2 0.735 86.3 115.9 -74.1 -24.1 24.9 32.7 26.1 100 101 A L T 3< S- 0 0 82 -4,-1.3 3,-0.1 1,-0.2 -45,-0.1 -0.237 83.8 -2.7 -56.1 132.9 27.4 35.6 26.5 101 102 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.506 92.4 139.7 72.6 6.8 26.1 39.2 26.8 102 103 A T < - 0 0 53 -3,-1.4 -1,-0.2 -4,-0.0 -3,-0.0 -0.319 41.1-144.3 -72.8 161.6 22.5 38.3 26.3 103 104 A R - 0 0 219 -3,-0.1 -1,-0.0 1,-0.1 -3,-0.0 -0.928 38.6 -68.8-126.2 158.5 19.8 40.0 28.4 104 105 A P - 0 0 66 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.085 48.3-136.2 -53.5 136.0 16.7 38.5 29.8 105 106 A D >> - 0 0 52 1,-0.1 3,-2.4 -53,-0.1 4,-0.5 -0.607 23.6-111.9 -85.1 151.5 14.1 37.6 27.3 106 107 A E G >4 S+ 0 0 151 1,-0.3 3,-1.2 -2,-0.2 4,-0.4 0.846 119.7 60.0 -48.3 -39.3 10.4 38.4 27.9 107 108 A K G 34 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.616 107.7 46.1 -67.8 -12.8 9.8 34.6 28.2 108 109 A Q G <> S+ 0 0 41 -3,-2.4 4,-2.5 2,-0.1 5,-0.3 0.450 85.0 96.9-104.1 -5.3 12.2 34.6 31.1 109 110 A Y H S+ 0 0 138 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.911 115.3 47.6 -55.6 -46.2 8.6 35.8 35.4 111 112 A T H > S+ 0 0 41 2,-0.2 4,-1.6 -4,-0.2 -2,-0.2 0.920 113.8 41.5 -66.9 -48.0 11.5 33.5 36.3 112 113 A V H X S+ 0 0 39 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.824 111.5 57.5 -76.4 -27.1 14.3 36.0 36.8 113 114 A E H X S+ 0 0 103 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.905 107.1 49.4 -62.2 -43.0 12.0 38.4 38.7 114 115 A T H X S+ 0 0 49 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.877 109.9 52.0 -61.3 -39.6 11.3 35.5 41.1 115 116 A Q H X S+ 0 0 22 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.911 112.8 43.6 -62.8 -47.2 15.1 35.0 41.4 116 117 A L H X S+ 0 0 43 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.867 113.5 50.4 -66.6 -40.9 15.7 38.6 42.2 117 118 A R H X S+ 0 0 112 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.882 106.6 57.1 -63.6 -42.0 12.8 38.8 44.6 118 119 A F H X S+ 0 0 29 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.898 105.6 49.3 -56.0 -44.4 14.0 35.6 46.4 119 120 A M H ><>S+ 0 0 1 -4,-1.5 5,-1.9 1,-0.2 3,-0.9 0.937 111.8 48.3 -64.1 -44.8 17.4 37.2 47.2 120 121 A T H ><5S+ 0 0 55 -4,-1.7 3,-1.5 1,-0.3 -2,-0.2 0.874 106.8 56.3 -64.6 -34.2 15.7 40.3 48.6 121 122 A E H 3<5S+ 0 0 153 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.657 104.5 55.8 -73.5 -11.1 13.4 38.2 50.7 122 123 A N T <<5S- 0 0 61 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.220 131.6 -88.3-103.1 13.2 16.5 36.6 52.2 123 124 A G T < 5S+ 0 0 54 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.327 84.8 129.2 106.8 -6.2 18.0 39.9 53.3 124 125 A F < - 0 0 15 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.2 -0.552 59.1-123.1 -77.8 140.0 20.0 41.1 50.3 125 126 A S > - 0 0 56 -2,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.503 35.9-106.5 -63.5 152.8 19.5 44.5 48.9 126 127 A L H > S+ 0 0 95 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.935 123.1 49.5 -51.0 -44.9 18.5 44.3 45.2 127 128 A R H > S+ 0 0 152 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.919 113.2 44.0 -60.6 -49.2 22.0 45.5 44.3 128 129 A D H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 115.4 48.8 -65.6 -37.7 23.8 43.0 46.6 129 130 A G H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.928 112.8 48.6 -63.7 -45.9 21.5 40.2 45.4 130 131 A L H X S+ 0 0 69 -4,-3.1 4,-3.1 -5,-0.3 -2,-0.2 0.913 109.6 51.8 -57.1 -48.5 22.2 41.2 41.8 131 132 A Y H X S+ 0 0 128 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.862 111.9 47.6 -58.9 -38.9 26.0 41.3 42.5 132 133 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 113.7 46.2 -65.5 -50.9 25.8 37.8 43.9 133 134 A I H X S+ 0 0 26 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.906 114.6 48.6 -56.2 -45.6 23.7 36.5 41.0 134 135 A S H X S+ 0 0 35 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.893 109.1 52.2 -64.6 -41.1 26.1 38.2 38.5 135 136 A A H X S+ 0 0 30 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.914 111.1 47.4 -64.1 -40.7 29.2 36.8 40.2 136 137 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.912 113.5 48.2 -61.1 -46.5 27.8 33.2 40.0 137 138 A S H X S+ 0 0 33 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.926 115.5 44.7 -57.8 -49.7 26.8 33.8 36.4 138 139 A H H X S+ 0 0 128 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.885 113.1 47.7 -65.9 -49.8 30.3 35.2 35.5 139 140 A F H X S+ 0 0 65 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.929 115.7 46.7 -54.6 -47.1 32.3 32.6 37.4 140 141 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.941 113.3 47.8 -66.2 -46.9 30.2 29.8 35.8 141 142 A L H X S+ 0 0 22 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.939 112.9 48.9 -57.9 -47.1 30.4 31.2 32.3 142 143 A G H X S+ 0 0 30 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.904 111.3 49.0 -59.9 -44.1 34.2 31.7 32.6 143 144 A A H X S+ 0 0 33 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.885 114.8 44.6 -66.1 -38.7 34.8 28.2 33.8 144 145 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.921 113.0 50.8 -70.3 -44.6 32.7 26.7 31.0 145 146 A L H X S+ 0 0 40 -4,-3.1 4,-3.4 -5,-0.2 5,-0.4 0.933 111.3 47.7 -60.5 -44.9 34.2 28.9 28.3 146 147 A E H X S+ 0 0 151 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.926 113.8 48.4 -61.8 -44.9 37.8 28.0 29.4 147 148 A Q H X S+ 0 0 49 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.951 118.7 39.1 -56.6 -53.1 36.9 24.3 29.5 148 149 A Q H X S+ 0 0 27 -4,-3.0 4,-2.1 2,-0.2 3,-0.3 0.917 115.7 48.4 -66.6 -46.2 35.2 24.5 26.0 149 150 A E H X S+ 0 0 86 -4,-3.4 4,-2.8 1,-0.3 -1,-0.2 0.841 105.0 61.6 -71.7 -28.4 37.7 26.8 24.2 150 151 A H H X S+ 0 0 97 -4,-1.7 4,-1.9 -5,-0.4 -1,-0.3 0.907 106.0 46.6 -54.9 -43.4 40.5 24.7 25.6 151 152 A T H X S+ 0 0 85 -4,-1.1 4,-0.8 -3,-0.3 -2,-0.2 0.940 109.0 53.2 -66.6 -48.0 39.0 21.8 23.6 152 153 A A H >< S+ 0 0 30 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.920 108.8 51.4 -46.2 -53.5 38.6 24.0 20.4 153 154 A A H 3< S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.897 101.2 60.4 -51.7 -48.7 42.3 24.9 20.7 154 155 A L H 3< 0 0 131 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.669 360.0 360.0 -58.1 -19.8 43.3 21.2 20.9 155 156 A T << 0 0 143 -3,-1.3 -3,-0.1 -4,-0.8 -2,-0.0 0.187 360.0 360.0 -91.8 360.0 41.7 20.7 17.5 156 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 157 165 A N 0 0 206 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 43.0 60.9 22.1 30.2 158 166 A L - 0 0 84 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.446 360.0-116.0 -55.4 134.1 57.9 22.8 32.3 159 167 A P > - 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.392 34.3-103.7 -69.2 161.8 58.7 23.9 35.9 160 168 A P H > S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.843 113.0 44.9 -64.7 -43.1 57.5 21.5 38.6 161 169 A L H > S+ 0 0 135 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.899 115.8 47.7 -70.0 -39.0 54.5 23.2 40.1 162 170 A L H > S+ 0 0 82 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.894 109.7 53.9 -64.7 -41.7 53.1 24.1 36.7 163 171 A R H X S+ 0 0 122 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.939 113.8 41.9 -54.0 -51.3 53.6 20.6 35.5 164 172 A E H X S+ 0 0 101 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.878 112.3 54.5 -64.8 -41.4 51.7 19.3 38.4 165 173 A A H X S+ 0 0 41 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.925 109.9 47.5 -58.7 -45.4 49.0 22.0 38.0 166 174 A L H X S+ 0 0 61 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.852 110.5 51.4 -64.6 -36.8 48.5 21.0 34.4 167 175 A Q H X S+ 0 0 111 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.924 110.3 50.9 -60.8 -44.8 48.3 17.4 35.4 168 176 A I H >< S+ 0 0 100 -4,-2.6 3,-0.6 2,-0.2 4,-0.4 0.952 114.6 41.9 -58.6 -50.2 45.6 18.4 37.9 169 177 A M H >< S+ 0 0 127 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.913 113.5 51.9 -64.4 -43.3 43.7 20.3 35.3 170 178 A D H 3< S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.733 100.6 65.7 -66.1 -17.9 44.1 17.6 32.7 171 179 A S T << S+ 0 0 90 -4,-1.3 2,-0.3 -3,-0.6 -1,-0.2 0.636 106.0 38.0 -79.1 -14.4 42.8 15.0 35.2 172 180 A D S < S- 0 0 46 -3,-1.2 0, 0.0 -4,-0.4 0, 0.0 -0.901 79.1-120.3-134.0 159.5 39.3 16.4 35.4 173 181 A D - 0 0 91 -2,-0.3 -4,-0.1 1,-0.0 -1,-0.0 0.658 69.5 -91.3 -70.5 -13.5 36.7 18.0 33.1 174 182 A G S > S+ 0 0 29 -27,-0.0 4,-2.0 -5,-0.0 5,-0.1 0.214 101.2 111.4 117.6 -13.4 36.7 21.2 35.2 175 183 A E H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.873 73.8 55.1 -63.3 -38.1 33.8 20.2 37.6 176 184 A Q H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.946 111.8 40.6 -62.3 -47.4 36.1 19.8 40.6 177 185 A A H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.850 115.3 54.3 -68.8 -36.2 37.6 23.3 40.5 178 186 A F H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.945 108.9 46.0 -60.3 -51.0 34.2 24.7 39.6 179 187 A L H X S+ 0 0 60 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.873 114.2 49.9 -65.4 -35.0 32.5 23.2 42.6 180 188 A H H X S+ 0 0 143 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.951 111.9 45.6 -65.5 -52.2 35.3 24.3 44.9 181 189 A G H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.857 109.2 58.5 -55.9 -40.8 35.3 27.9 43.6 182 190 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.881 104.5 49.1 -58.2 -44.0 31.5 27.9 43.9 183 191 A E H X S+ 0 0 79 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.904 110.7 51.4 -64.2 -38.8 31.6 27.1 47.6 184 192 A S H X S+ 0 0 74 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.932 111.5 47.1 -60.5 -47.5 34.1 29.9 48.1 185 193 A L H X S+ 0 0 44 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.927 112.7 48.5 -57.6 -50.9 31.9 32.4 46.3 186 194 A I H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.916 112.6 48.0 -60.9 -43.7 28.8 31.4 48.2 187 195 A R H X S+ 0 0 149 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 108.4 54.2 -67.7 -43.4 30.5 31.6 51.5 188 196 A G H X S+ 0 0 42 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.897 108.4 50.0 -49.7 -44.5 32.0 35.0 50.7 189 197 A F H X S+ 0 0 30 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.893 109.9 51.7 -60.3 -44.5 28.5 36.3 49.9 190 198 A E H X S+ 0 0 54 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.911 107.6 50.5 -60.5 -45.5 27.3 34.9 53.2 191 199 A V H X S+ 0 0 73 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.909 113.7 47.3 -57.2 -44.8 30.0 36.7 55.2 192 200 A Q H X S+ 0 0 103 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.931 112.8 47.1 -61.5 -48.6 29.1 39.9 53.4 193 201 A L H >< S+ 0 0 38 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.928 112.8 49.6 -62.5 -46.6 25.3 39.5 54.0 194 202 A T H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.827 100.5 64.9 -57.1 -37.5 25.8 38.6 57.7 195 203 A A H >< S+ 0 0 3 -4,-1.5 3,-2.7 1,-0.2 -1,-0.2 0.761 70.5 173.4 -68.3 -26.5 28.1 41.5 58.4 196 204 A L T << S- 0 0 142 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 -0.365 76.0 -14.9 52.4-122.3 25.4 44.2 57.8 197 205 A L T 3 S+ 0 0 178 -2,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.339 109.5 116.4 -91.3 4.5 27.1 47.5 58.8 198 206 A Q S < S- 0 0 145 -3,-2.7 2,-0.3 -4,-0.1 -3,-0.0 -0.470 78.3-105.4 -69.4 145.2 30.0 45.9 60.7 199 207 A I 0 0 178 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.574 360.0 360.0 -69.6 129.1 33.5 46.3 59.5 200 208 A V 0 0 126 -2,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.491 360.0 360.0-136.8 360.0 34.3 43.0 57.9