==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-DEC-11 4AC0 . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.VOLKERS,W.HINRICHS . 197 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 77.7 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 2 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 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 0 108 0, 0.0 33,-0.0 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 106.2 46.9 6.7 -4.5 2 3 A R - 0 0 239 2,-0.0 5,-0.0 0, 0.0 0, 0.0 0.653 360.0-135.1 -79.5 -18.9 46.5 3.5 -6.6 3 4 A L + 0 0 62 1,-0.2 2,-0.3 2,-0.0 3,-0.1 0.989 37.4 168.0 60.2 93.5 43.6 5.6 -8.2 4 5 A D > - 0 0 87 1,-0.1 4,-1.9 0, 0.0 -1,-0.2 -0.950 47.4-137.3-137.5 145.5 40.5 3.4 -8.6 5 6 A K H > S+ 0 0 122 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.938 113.9 52.6 -63.6 -44.7 36.8 3.8 -9.3 6 7 A S H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.810 110.4 47.1 -59.3 -33.2 36.2 1.3 -6.5 7 8 A K H > S+ 0 0 68 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.795 110.4 52.8 -79.5 -32.0 38.3 3.4 -4.2 8 9 A V H X S+ 0 0 3 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.964 112.2 44.0 -66.3 -51.2 36.5 6.6 -5.2 9 10 A I H X S+ 0 0 10 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.921 113.0 51.9 -63.7 -44.9 33.1 5.1 -4.5 10 11 A N H X S+ 0 0 80 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.919 114.8 43.2 -48.0 -50.3 34.3 3.6 -1.2 11 12 A S H X S+ 0 0 15 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.858 112.6 51.6 -72.1 -36.6 35.6 7.0 -0.2 12 13 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.877 107.3 54.3 -65.8 -36.2 32.6 8.9 -1.5 13 14 A L H X S+ 0 0 3 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.900 110.1 46.7 -66.2 -39.0 30.4 6.5 0.6 14 15 A E H X S+ 0 0 105 -4,-1.7 4,-1.4 -5,-0.2 3,-0.4 0.941 110.6 51.5 -63.3 -49.1 32.4 7.4 3.6 15 16 A L H X>S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.3 5,-0.6 0.873 103.6 58.8 -58.4 -41.4 32.2 11.1 2.8 16 17 A L H X5S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.887 106.6 49.1 -50.6 -43.0 28.4 10.9 2.4 17 18 A N H <5S+ 0 0 73 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.827 111.9 49.1 -68.4 -30.2 28.3 9.6 6.0 18 19 A E H <5S+ 0 0 106 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.934 133.9 6.1 -75.6 -43.5 30.5 12.5 7.2 19 20 A V H X5S- 0 0 47 -4,-2.5 4,-0.5 1,-0.2 3,-0.2 0.594 96.0-133.8-121.7 -19.9 28.6 15.4 5.6 20 21 A G H X< - 0 0 1 -4,-1.7 4,-0.8 -5,-0.6 -1,-0.2 -0.213 43.0 -51.9 83.9 178.8 25.5 14.0 4.1 21 22 A I H 4 S+ 0 0 13 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.840 131.5 43.6 -68.0 -39.7 23.9 14.6 0.7 22 23 A E H 4 S+ 0 0 163 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.863 115.9 48.4 -77.2 -29.8 23.8 18.4 0.5 23 24 A G H < S+ 0 0 22 -4,-0.5 2,-0.3 -7,-0.1 -1,-0.2 0.559 88.2 104.8 -88.7 -7.5 27.3 18.8 1.9 24 25 A L < + 0 0 0 -4,-0.8 2,-0.3 -3,-0.2 3,-0.1 -0.555 44.8 163.0 -73.4 131.3 28.8 16.3 -0.4 25 26 A T > - 0 0 46 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.988 49.8-122.6-142.3 152.4 30.8 17.8 -3.3 26 27 A T H > S+ 0 0 16 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.899 116.5 57.4 -55.1 -40.7 33.4 16.5 -5.8 27 28 A R H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.984 109.3 43.1 -54.5 -57.8 35.7 19.3 -4.4 28 29 A K H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.849 112.4 57.1 -58.3 -33.7 35.3 17.8 -0.8 29 30 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.917 105.2 46.2 -62.7 -49.2 35.8 14.3 -2.3 30 31 A A H X>S+ 0 0 1 -4,-2.6 5,-2.3 -3,-0.3 4,-0.9 0.906 109.9 55.5 -62.8 -41.7 39.1 14.7 -4.0 31 32 A Q H ><5S+ 0 0 126 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.908 106.5 50.6 -57.8 -41.2 40.5 16.4 -0.9 32 33 A K H 3<5S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.846 110.7 50.1 -64.2 -30.9 39.5 13.4 1.1 33 34 A L H 3<5S- 0 0 26 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.594 112.3-121.4 -80.4 -11.2 41.3 11.2 -1.5 34 35 A G T <<5S+ 0 0 67 -4,-0.9 2,-0.3 -3,-0.8 -3,-0.2 0.781 75.4 116.8 67.8 28.2 44.4 13.4 -1.2 35 36 A V S - 0 0 152 -2,-0.3 4,-1.0 -3,-0.1 3,-0.4 -0.438 38.6-110.8 -77.7 156.3 43.6 17.3 -7.1 37 38 A Q H > S+ 0 0 49 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.804 112.9 58.8 -66.6 -34.2 40.0 17.9 -8.4 38 39 A P H >> S+ 0 0 83 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.911 101.8 57.7 -51.4 -49.4 40.8 17.3 -12.2 39 40 A T H >4 S+ 0 0 25 -3,-0.4 3,-1.0 1,-0.3 -2,-0.2 0.825 99.8 56.0 -47.0 -44.0 42.0 13.8 -11.4 40 41 A L H >X S+ 0 0 1 -4,-1.0 4,-2.5 1,-0.2 3,-1.5 0.745 93.6 70.2 -70.6 -21.7 38.8 12.8 -9.8 41 42 A Y H << S+ 0 0 108 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.823 82.5 71.8 -59.9 -31.4 37.0 13.7 -13.1 42 43 A W T << S+ 0 0 187 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.534 114.6 25.8 -65.1 -4.0 38.6 10.7 -14.7 43 44 A H T <4 S+ 0 0 41 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.645 132.1 27.6-126.3 -37.3 36.1 8.7 -12.6 44 45 A V < - 0 0 8 -4,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.995 53.9-158.9-133.1 133.3 33.2 11.1 -11.9 45 46 A K S S- 0 0 155 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.946 70.1 -41.3 -69.3 -45.6 32.0 14.0 -14.1 46 47 A N S > S- 0 0 57 1,-0.1 4,-2.5 -5,-0.0 -1,-0.2 -0.862 74.8 -61.4-169.7-175.2 30.1 15.8 -11.3 47 48 A K H > S+ 0 0 57 -2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.913 124.7 50.5 -60.9 -45.8 27.8 15.6 -8.3 48 49 A R H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 113.3 45.9 -59.1 -45.5 24.8 14.0 -10.0 49 50 A A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 113.1 50.3 -65.7 -41.4 27.0 11.3 -11.6 50 51 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.933 110.0 50.1 -60.2 -45.4 28.7 10.7 -8.3 51 52 A L H X S+ 0 0 13 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.908 108.0 53.6 -64.4 -38.0 25.3 10.4 -6.7 52 53 A D H X S+ 0 0 59 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.903 109.8 47.8 -60.4 -43.5 24.1 7.9 -9.3 53 54 A A H X S+ 0 0 23 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.842 110.5 51.8 -66.5 -31.9 27.2 5.7 -8.7 54 55 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.895 111.9 46.8 -69.0 -37.2 26.6 5.9 -4.9 55 56 A A H X S+ 0 0 5 -4,-2.3 4,-0.8 43,-0.2 -2,-0.2 0.900 114.2 47.3 -70.8 -43.9 23.0 4.9 -5.4 56 57 A I H >X S+ 0 0 48 -4,-2.8 4,-1.9 1,-0.2 3,-1.8 0.980 111.5 51.6 -60.0 -54.8 24.1 2.1 -7.7 57 58 A E H 3X S+ 0 0 47 -4,-3.3 4,-2.2 1,-0.3 5,-0.3 0.848 102.9 57.5 -53.2 -41.4 26.7 1.0 -5.2 58 59 A M H 3X S+ 0 0 6 -4,-2.2 4,-1.2 1,-0.2 -1,-0.3 0.731 109.3 46.8 -63.2 -21.5 24.3 0.8 -2.3 59 60 A L H - 0 0 101 4,-0.2 3,-1.8 -2,-0.1 8,-0.1 -0.921 30.0-115.4 -99.9 128.1 13.9 -17.7 -6.3 70 71 A E T 3 S+ 0 0 183 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 -0.211 106.3 34.2 -59.5 157.7 11.4 -20.1 -8.1 71 72 A G T 3 S+ 0 0 84 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.054 96.5 111.2 74.9 -29.0 9.1 -21.8 -5.7 72 73 A E S < S- 0 0 25 -3,-1.8 -1,-0.2 1,-0.1 5,-0.1 -0.709 78.5-118.3 -75.8 118.8 9.3 -18.5 -3.8 73 74 A S > - 0 0 37 -2,-0.6 4,-2.1 1,-0.1 -4,-0.2 -0.078 13.0-120.7 -52.2 152.1 5.9 -16.9 -4.1 74 75 A W H > S+ 0 0 7 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.858 117.9 58.2 -58.8 -34.6 5.7 -13.5 -5.9 75 76 A Q H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 106.6 43.8 -62.9 -47.0 4.3 -12.4 -2.6 76 77 A D H > S+ 0 0 70 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.877 114.6 53.0 -64.2 -37.5 7.4 -13.4 -0.7 77 78 A F H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.937 107.3 46.9 -66.1 -50.1 9.5 -11.9 -3.4 78 79 A L H X S+ 0 0 1 -4,-3.2 4,-2.0 2,-0.2 5,-0.2 0.930 116.0 51.2 -56.3 -40.5 7.8 -8.5 -3.3 79 80 A R H X S+ 0 0 61 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.983 115.6 37.1 -55.0 -60.9 8.3 -8.8 0.5 80 81 A N H X S+ 0 0 34 -4,-3.5 4,-2.0 1,-0.2 -15,-0.3 0.834 115.6 54.9 -70.0 -32.0 12.1 -9.7 0.3 81 82 A N H X S+ 0 0 14 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.2 0.888 110.5 45.0 -62.1 -44.1 12.7 -7.3 -2.6 82 83 A A H X S+ 0 0 0 -4,-2.0 4,-3.5 -5,-0.3 5,-0.2 0.944 111.5 55.0 -68.0 -45.5 11.2 -4.4 -0.6 83 84 A K H X S+ 0 0 89 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.873 112.3 40.5 -50.8 -44.3 13.1 -5.4 2.5 84 85 A S H X S+ 0 0 9 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.863 113.1 54.2 -84.4 -29.9 16.5 -5.4 0.8 85 86 A F H X S+ 0 0 23 -4,-2.0 4,-2.5 -5,-0.2 3,-0.2 0.997 111.3 46.1 -59.3 -57.5 15.7 -2.3 -1.1 86 87 A R H X S+ 0 0 23 -4,-3.5 4,-2.4 1,-0.3 5,-0.2 0.930 111.1 53.1 -43.7 -56.8 14.9 -0.7 2.2 87 88 A C H X S+ 0 0 62 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.3 0.884 107.1 52.5 -45.8 -48.2 18.1 -2.2 3.6 88 89 A A H >< S+ 0 0 0 -4,-3.1 3,-1.0 -3,-0.2 4,-0.4 0.954 110.1 47.4 -52.7 -54.8 20.1 -0.6 0.7 89 90 A L H >< S+ 0 0 5 -4,-2.5 3,-0.8 1,-0.2 6,-0.3 0.878 112.0 49.6 -56.8 -38.8 18.6 2.9 1.4 90 91 A L H 3< S+ 0 0 63 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.562 87.3 87.6 -76.8 -14.8 19.4 2.7 5.2 91 92 A S T << S+ 0 0 35 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 0.718 97.2 24.5 -64.3 -22.6 22.9 1.6 4.6 92 93 A H S X S- 0 0 20 -3,-0.8 3,-2.1 -4,-0.4 4,-0.3 -0.966 93.9 -83.1-140.5 162.6 24.1 5.1 4.5 93 94 A R T 3 S+ 0 0 116 -2,-0.3 -73,-0.1 1,-0.3 -75,-0.1 -0.346 118.3 3.9 -55.7 134.3 23.3 8.7 5.5 94 95 A D T 3> S+ 0 0 19 54,-0.1 4,-2.9 1,-0.1 -1,-0.3 0.585 85.9 148.6 52.7 19.1 20.8 10.2 3.0 95 96 A G H <> S+ 0 0 1 -3,-2.1 4,-1.3 -6,-0.3 -5,-0.2 0.831 72.4 46.4 -43.5 -45.5 20.6 6.8 1.2 96 97 A A H > S+ 0 0 0 -7,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.918 112.5 49.1 -71.7 -42.1 17.0 7.4 0.3 97 98 A K H 4 S+ 0 0 70 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.865 106.6 57.4 -62.3 -32.0 17.7 10.9 -0.9 98 99 A V H < S+ 0 0 0 -4,-2.9 -43,-0.2 1,-0.2 -1,-0.2 0.825 109.8 44.7 -70.5 -29.8 20.6 9.6 -2.9 99 100 A H H >< S+ 0 0 36 -4,-1.3 3,-3.0 -5,-0.3 -1,-0.2 0.846 86.9 112.1 -75.9 -37.9 18.3 7.3 -4.8 100 101 A L T 3< S+ 0 0 79 -4,-1.8 3,-0.1 1,-0.3 -45,-0.0 -0.064 87.5 9.4 -41.8 129.9 15.5 9.8 -5.4 101 102 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.307 95.2 130.0 81.4 -10.8 15.1 10.7 -9.0 102 103 A T < - 0 0 32 -3,-3.0 -1,-0.3 -51,-0.1 -3,-0.0 -0.344 41.7-154.2 -68.7 161.7 17.5 8.0 -10.3 103 104 A R - 0 0 199 -3,-0.1 -1,-0.0 1,-0.1 -3,-0.0 -0.905 30.8 -71.0-134.1 160.7 16.3 5.8 -13.1 104 105 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.169 52.8-159.6 -48.4 138.3 17.0 2.3 -14.3 105 106 A T >> - 0 0 59 -3,-0.0 3,-2.9 1,-0.0 4,-0.9 -0.815 33.0 -90.2-121.4 166.1 20.4 2.0 -16.0 106 107 A E G >4 S+ 0 0 158 1,-0.3 3,-1.0 -2,-0.3 4,-0.4 0.816 121.8 54.3 -39.8 -49.1 22.0 -0.4 -18.4 107 108 A K G 34 S+ 0 0 205 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.486 108.1 51.7 -72.6 0.1 23.4 -2.8 -15.8 108 109 A Q G <> S+ 0 0 41 -3,-2.9 4,-3.2 2,-0.1 5,-0.3 0.598 82.4 93.0-106.2 -15.0 20.0 -3.2 -14.2 109 110 A Y H S+ 0 0 157 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.927 117.1 47.5 -55.5 -51.5 18.5 -7.9 -17.0 111 112 A T H > S+ 0 0 36 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.935 117.8 42.1 -52.6 -50.8 17.6 -7.7 -13.3 112 113 A L H X S+ 0 0 48 -4,-3.2 4,-1.1 2,-0.2 -2,-0.2 0.818 112.4 50.9 -74.2 -36.4 14.6 -5.5 -14.0 113 114 A E H >X S+ 0 0 136 -4,-2.9 4,-2.7 -5,-0.3 3,-1.2 0.971 111.2 50.1 -62.7 -49.9 13.4 -7.3 -17.1 114 115 A N H 3X S+ 0 0 82 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.851 106.4 58.7 -53.7 -36.3 13.5 -10.5 -15.1 115 116 A Q H 3X S+ 0 0 14 -4,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.795 110.4 39.1 -64.7 -32.6 11.5 -8.7 -12.4 116 117 A L H <>S+ 0 0 0 -4,-1.2 5,-1.4 1,-0.2 3,-0.8 0.918 111.0 57.4 -59.7 -44.2 5.5 -11.2 -12.1 120 121 A C H ><5S+ 0 0 45 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.909 103.9 50.1 -54.6 -46.4 3.9 -11.6 -15.6 121 122 A Q H 3<5S+ 0 0 138 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.692 102.3 63.6 -72.7 -14.3 4.1 -15.4 -15.6 122 123 A Q T <<5S- 0 0 75 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.587 129.5 -98.7 -76.3 -9.6 2.5 -15.2 -12.2 123 124 A G T < 5S+ 0 0 57 -3,-2.3 2,-0.3 1,-0.4 -3,-0.2 0.459 80.6 131.0 104.9 -0.3 -0.5 -13.7 -14.1 124 125 A F < - 0 0 8 -5,-1.4 -1,-0.4 4,-0.0 -2,-0.1 -0.677 60.4-118.8 -70.8 137.6 -0.2 -9.9 -13.6 125 126 A S > - 0 0 63 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.422 32.0-104.9 -66.1 154.5 -0.4 -7.9 -16.8 126 127 A L H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.934 120.8 52.9 -48.9 -46.9 2.7 -6.0 -17.6 127 128 A E H >> S+ 0 0 118 1,-0.3 4,-2.0 2,-0.2 3,-0.7 0.944 112.4 40.6 -58.0 -55.8 0.9 -2.7 -16.5 128 129 A N H 3> S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.894 113.2 57.5 -61.4 -32.8 -0.2 -4.0 -13.1 129 130 A A H 3X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.810 108.0 45.3 -69.7 -24.1 3.2 -5.7 -12.6 130 131 A L H X S+ 0 0 65 -4,-2.2 4,-2.4 -5,-0.2 3,-1.0 0.908 91.0 81.8 -70.7 -42.4 15.0 12.8 8.1 150 151 A H H 3X S+ 0 0 107 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.727 93.1 46.3 -31.0 -50.7 13.6 12.2 11.6 151 152 A Q H 3X S+ 0 0 117 -4,-0.6 4,-1.4 -3,-0.3 -1,-0.3 0.831 114.2 41.7 -69.4 -47.7 17.1 12.5 13.3 152 153 A V H < S+ 0 0 63 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.846 104.7 56.6 -64.7 -35.5 14.9 16.4 15.7 155 156 A E H 3< S+ 0 0 84 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.959 107.7 48.4 -57.6 -48.1 18.3 18.0 16.3 156 157 A E T 3< S+ 0 0 155 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.2 -0.011 105.7 59.2 -91.1 23.6 17.2 21.4 14.9 157 158 A R < 0 0 73 -3,-1.0 0, 0.0 1,-0.1 0, 0.0 -0.896 360.0 360.0-137.9 171.7 13.9 21.9 16.7 158 159 A E 0 0 155 -2,-0.3 -1,-0.1 0, 0.0 -4,-0.0 0.858 360.0 360.0 -86.6 360.0 12.8 22.1 20.4 159 ! 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 0.0 160 165 A S 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.3 0.7 19.0 25.2 161 166 A M - 0 0 94 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.804 360.0 -41.9-162.6 168.6 -2.4 17.3 23.6 162 167 A P > - 0 0 82 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.349 55.1-121.5 -63.2 140.4 -5.4 15.0 23.5 163 168 A P H > S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.611 108.0 51.5 -67.5 -19.3 -4.7 11.6 25.1 164 169 A L H > S+ 0 0 148 2,-0.2 4,-3.3 3,-0.2 5,-0.1 0.791 111.5 47.9 -85.7 -35.3 -5.5 9.5 22.0 165 170 A L H > S+ 0 0 90 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.972 113.3 48.6 -64.3 -50.4 -3.2 11.5 20.0 166 171 A R H X S+ 0 0 148 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.934 113.8 46.9 -53.1 -51.2 -0.6 11.2 22.8 167 172 A Q H X S+ 0 0 103 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.947 112.6 49.6 -56.4 -47.9 -1.3 7.5 22.9 168 173 A A H X S+ 0 0 53 -4,-3.3 4,-3.2 2,-0.2 -2,-0.2 0.949 112.8 46.0 -58.6 -47.3 -1.0 7.2 19.1 169 174 A I H X S+ 0 0 62 -4,-3.3 4,-4.1 1,-0.2 -2,-0.2 0.930 114.7 48.0 -59.7 -48.2 2.3 9.2 19.0 170 175 A E H X S+ 0 0 95 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.851 113.4 46.6 -61.0 -41.7 3.8 7.2 21.8 171 176 A L H X S+ 0 0 80 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.964 117.2 45.1 -61.9 -51.2 2.8 3.9 20.2 172 177 A F H < S+ 0 0 129 -4,-3.2 -2,-0.2 -5,-0.3 -3,-0.2 0.948 117.1 44.7 -56.3 -49.5 4.1 5.2 16.9 173 178 A D H < S+ 0 0 94 -4,-4.1 -1,-0.2 1,-0.2 -2,-0.2 0.933 113.0 49.5 -62.9 -48.0 7.3 6.5 18.5 174 179 A H H < S+ 0 0 169 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 0.797 103.0 67.3 -63.6 -35.9 7.9 3.4 20.6 175 180 A Q S < S- 0 0 100 -4,-2.4 5,-0.0 -5,-0.2 0, 0.0 -0.734 94.0-123.8 -88.2 133.2 7.5 1.1 17.7 176 181 A G > - 0 0 46 -2,-0.4 4,-0.8 1,-0.1 -1,-0.1 0.274 27.9 -91.2 -61.8-162.2 10.3 1.6 15.3 177 182 A A H > S+ 0 0 31 2,-0.1 4,-2.0 1,-0.1 5,-0.2 0.820 118.0 74.2 -72.2 -31.5 10.2 2.5 11.6 178 183 A E H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 95.7 42.1 -55.7 -50.1 10.3 -1.3 11.0 179 184 A P H > S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.930 113.4 52.1 -65.2 -40.9 6.7 -2.1 12.0 180 185 A A H X S+ 0 0 45 -4,-0.8 4,-1.3 1,-0.2 -2,-0.2 0.839 115.8 44.8 -59.0 -31.2 5.2 1.0 10.3 181 186 A F H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.848 112.3 48.2 -76.7 -39.7 7.2 -0.3 7.3 182 187 A L H X S+ 0 0 77 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.731 110.4 55.2 -78.4 -24.4 6.2 -4.0 7.6 183 188 A F H >X S+ 0 0 138 -4,-2.3 4,-1.4 -5,-0.2 3,-0.5 0.950 109.4 40.5 -72.3 -55.2 2.6 -3.0 7.9 184 189 A G H >X S+ 0 0 9 -4,-1.3 4,-2.8 1,-0.3 3,-0.6 0.939 111.7 59.8 -61.9 -45.7 2.0 -0.9 4.8 185 190 A L H 3X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.3 -1,-0.3 0.829 107.8 45.0 -45.2 -39.4 4.1 -3.4 2.9 186 191 A E H < S+ 0 0 168 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.995 111.0 48.2 -62.5 -77.0 -6.8 -9.1 -4.6 195 200 A Q H 3< S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.782 108.4 55.3 -31.2 -54.3 -6.1 -7.5 -8.0 196 201 A L H 3< S+ 0 0 50 -4,-2.2 2,-0.8 -5,-0.1 -1,-0.3 0.899 85.4 86.1 -53.3 -49.3 -4.4 -10.7 -9.3 197 202 A K << 0 0 180 -4,-1.4 -1,-0.0 -3,-1.2 -4,-0.0 -0.496 360.0 360.0 -50.1 100.8 -7.6 -12.7 -8.4 198 203 A C 0 0 162 -2,-0.8 -1,-0.1 0, 0.0 -3,-0.0 -0.340 360.0 360.0 174.6 360.0 -9.2 -11.8 -11.8