==== 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 REGULATOR 29-JUL-09 3IH3 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.D.KOCLEGA,M.CHRUSZCZ,G.BUJACZ,A.JOACHIMIAK,W.MINOR,MIDWEST . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 81.2 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 . 2 1.0 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 . 19 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 67.3 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 0 0 1 2 0 1 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 1 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 . 1 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 -1 A G 0 0 126 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.4 2.1 24.6 9.5 2 0 A H - 0 0 196 1,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.350 360.0-157.0 -70.5 145.9 -1.7 25.1 9.4 3 1 A X - 0 0 183 1,-0.2 2,-0.1 -2,-0.1 3,-0.1 -0.469 36.1 -61.5-108.0-175.9 -4.0 22.1 9.5 4 2 A L - 0 0 90 -2,-0.2 -1,-0.2 1,-0.1 5,-0.0 -0.469 59.5-103.1 -62.9 137.6 -7.6 21.5 8.4 5 3 A S > - 0 0 61 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.227 37.5-108.2 -48.3 154.2 -10.2 23.6 10.1 6 4 A K H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 120.6 55.5 -63.5 -34.8 -12.0 21.5 12.7 7 5 A R H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 109.2 45.5 -62.5 -46.2 -15.1 21.4 10.5 8 6 A D H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.826 110.4 54.7 -72.0 -27.3 -13.1 20.0 7.5 9 7 A A H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.924 109.2 47.3 -68.5 -45.5 -11.4 17.4 9.8 10 8 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.973 112.9 49.7 -58.3 -51.2 -14.7 16.2 11.1 11 9 A L H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.816 110.6 49.0 -59.3 -40.8 -16.0 16.0 7.5 12 10 A K H X S+ 0 0 113 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.877 113.8 45.9 -66.4 -41.3 -12.9 14.0 6.2 13 11 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.900 112.4 52.4 -65.7 -39.9 -13.2 11.6 9.1 14 12 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 5,-0.5 0.946 106.6 52.1 -57.6 -50.0 -17.0 11.4 8.4 15 13 A V H X S+ 0 0 14 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.903 113.6 46.6 -55.9 -36.6 -16.3 10.6 4.8 16 14 A E H X S+ 0 0 35 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.917 115.8 39.0 -73.0 -51.0 -14.0 7.8 6.0 17 15 A V H X>S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.6 0.965 116.9 50.2 -69.9 -49.6 -16.0 6.0 8.7 18 16 A F H X5S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.934 112.0 49.1 -51.7 -51.4 -19.3 6.3 6.8 19 17 A G H <5S+ 0 0 6 -4,-1.6 -1,-0.3 -5,-0.5 -2,-0.2 0.880 117.6 41.7 -54.7 -40.2 -17.7 4.9 3.7 20 18 A K H <5S+ 0 0 134 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.963 132.4 17.0 -72.5 -51.2 -16.2 2.0 5.8 21 19 A K H <5S- 0 0 79 -4,-3.4 4,-0.3 1,-0.2 -3,-0.2 0.771 101.9-120.2 -97.1 -29.7 -19.1 1.1 8.0 22 20 A G X< - 0 0 11 -4,-2.3 4,-2.1 -5,-0.6 -1,-0.2 -0.174 38.6 -73.0 95.1 162.6 -22.1 2.6 6.4 23 21 A Y T 4 S+ 0 0 22 84,-0.3 -1,-0.1 2,-0.2 88,-0.1 0.892 129.0 43.4 -52.0 -54.1 -24.5 5.2 7.9 24 22 A D T 4 S+ 0 0 113 86,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.934 118.5 42.6 -66.1 -49.6 -26.3 2.9 10.3 25 23 A R T 4 S+ 0 0 196 -4,-0.3 -1,-0.2 -7,-0.1 -2,-0.2 0.806 96.8 91.6 -70.3 -31.3 -23.2 1.1 11.6 26 24 A A < - 0 0 1 -4,-2.1 2,-0.4 -8,-0.1 -8,-0.0 -0.295 63.6-150.7 -65.7 146.3 -20.9 4.2 11.9 27 25 A T > - 0 0 61 1,-0.1 4,-1.8 22,-0.0 5,-0.1 -0.957 19.6-139.8-120.2 144.5 -20.8 6.1 15.2 28 26 A T H > S+ 0 0 48 -2,-0.4 4,-1.6 2,-0.2 5,-0.2 0.742 106.0 64.2 -69.9 -28.7 -20.1 9.7 15.7 29 27 A D H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.964 107.3 43.1 -50.7 -52.8 -18.0 8.7 18.8 30 28 A E H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.862 110.1 54.4 -65.6 -41.4 -15.7 7.0 16.2 31 29 A I H X S+ 0 0 2 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.813 111.9 46.4 -60.0 -31.9 -15.7 9.8 13.7 32 30 A A H X>S+ 0 0 4 -4,-1.6 5,-1.9 -3,-0.4 4,-1.0 0.893 110.2 49.8 -82.0 -46.5 -14.6 12.2 16.5 33 31 A E H ><5S+ 0 0 79 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.965 114.1 48.7 -47.8 -50.5 -11.8 10.0 17.8 34 32 A K H 3<5S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.779 111.8 48.0 -65.7 -30.2 -10.7 9.7 14.2 35 33 A A H 3<5S- 0 0 21 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.515 110.9-120.3 -85.1 -13.3 -10.9 13.5 13.7 36 34 A G T <<5S+ 0 0 66 -3,-1.2 2,-0.3 -4,-1.0 -3,-0.2 0.952 72.9 117.5 66.8 51.0 -8.9 14.2 16.9 37 35 A V S > - 0 0 64 -2,-0.3 3,-2.3 1,-0.1 4,-0.6 -0.475 40.5-112.3 -70.0 142.8 -13.9 15.9 21.6 39 37 A K H >> S+ 0 0 65 1,-0.3 3,-0.9 -2,-0.2 4,-0.7 0.840 113.9 58.8 -42.5 -43.5 -17.2 14.0 21.2 40 38 A G H 3> S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.565 88.1 70.8 -66.3 -14.3 -19.2 17.3 21.8 41 39 A L H <> S+ 0 0 72 -3,-2.3 4,-2.1 2,-0.2 5,-0.3 0.815 91.0 59.9 -79.7 -27.8 -17.7 19.3 18.9 42 40 A I H S+ 0 0 10 -3,-0.9 4,-2.7 -4,-0.6 5,-0.8 0.983 105.4 49.8 -56.0 -54.9 -19.6 17.2 16.4 43 41 A F H X5S+ 0 0 153 -4,-0.7 4,-1.6 3,-0.2 -2,-0.2 0.910 108.1 55.1 -48.9 -45.4 -22.7 18.4 18.1 44 42 A H H <5S+ 0 0 138 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.909 120.7 27.3 -58.5 -46.7 -21.4 22.1 17.9 45 43 A Y H <5S+ 0 0 85 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.709 141.0 17.6 -86.8 -22.8 -20.9 22.1 14.1 46 44 A F H <5S- 0 0 5 -4,-2.7 2,-1.8 -5,-0.3 -3,-0.2 0.643 73.0-148.9-131.0 -23.3 -23.5 19.5 13.1 47 45 A K S < S- 0 0 87 -2,-1.8 4,-2.3 -6,-0.2 5,-0.1 -0.981 78.0-101.0-154.7 169.8 -26.6 15.1 14.9 49 47 A K H > S+ 0 0 52 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.785 117.0 56.3 -61.8 -32.6 -25.3 12.2 12.8 50 48 A E H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 109.8 45.2 -65.4 -49.5 -28.0 12.7 10.1 51 49 A E H > S+ 0 0 45 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.902 110.7 54.4 -61.2 -40.8 -26.9 16.2 9.6 52 50 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.973 109.4 47.8 -53.3 -54.2 -23.2 15.2 9.6 53 51 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.903 113.1 50.0 -53.8 -43.2 -23.9 12.6 6.9 54 52 A Y H X S+ 0 0 23 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.926 112.4 42.8 -66.5 -52.1 -25.8 15.3 4.9 55 53 A Q H X S+ 0 0 56 -4,-2.9 4,-3.4 2,-0.2 5,-0.2 0.933 114.0 53.7 -58.9 -43.6 -23.1 18.0 5.0 56 54 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.911 111.7 46.2 -55.3 -42.4 -20.5 15.4 4.3 57 55 A Y H X S+ 0 0 18 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.930 113.9 45.3 -69.1 -48.2 -22.5 14.4 1.3 58 56 A X H X S+ 0 0 44 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.917 111.9 54.7 -58.7 -41.9 -23.1 17.9 0.0 59 57 A S H X S+ 0 0 41 -4,-3.4 4,-1.7 -5,-0.2 -2,-0.2 0.936 112.8 40.9 -62.8 -43.6 -19.4 18.7 0.6 60 58 A V H X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.942 116.4 48.0 -70.4 -43.1 -18.3 15.7 -1.5 61 59 A T H X S+ 0 0 23 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.861 107.5 57.9 -66.4 -32.3 -20.9 16.3 -4.3 62 60 A E H X S+ 0 0 133 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.944 105.9 49.2 -58.1 -48.1 -20.0 20.0 -4.3 63 61 A K H X S+ 0 0 58 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.934 112.7 48.4 -51.6 -49.9 -16.3 19.0 -5.1 64 62 A L H X S+ 0 0 33 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.874 107.0 55.5 -60.8 -42.4 -17.6 16.7 -7.9 65 63 A Q H X S+ 0 0 38 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.905 106.0 50.8 -59.2 -44.9 -19.8 19.4 -9.4 66 64 A K H X S+ 0 0 69 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.942 110.6 49.9 -59.4 -44.9 -16.9 21.8 -9.7 67 65 A E H X S+ 0 0 99 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.949 113.5 47.3 -54.2 -51.9 -14.9 19.1 -11.6 68 66 A F H X S+ 0 0 12 -4,-2.6 4,-3.6 1,-0.2 -2,-0.2 0.885 108.6 51.3 -61.7 -46.8 -17.8 18.5 -13.9 69 67 A E H X S+ 0 0 87 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.838 109.5 51.1 -63.9 -31.9 -18.6 22.1 -14.7 70 68 A N H X S+ 0 0 99 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.931 113.8 45.0 -66.2 -44.5 -15.0 22.7 -15.7 71 69 A F H X S+ 0 0 27 -4,-1.9 4,-2.5 -5,-0.2 3,-0.3 0.928 112.8 50.9 -64.7 -47.2 -15.1 19.7 -17.9 72 70 A L H X S+ 0 0 10 -4,-3.6 4,-1.2 1,-0.2 -1,-0.2 0.916 108.7 51.6 -49.6 -50.0 -18.5 20.7 -19.3 73 71 A X H < S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.776 115.9 40.7 -66.0 -29.7 -17.2 24.2 -20.1 74 72 A K H < S+ 0 0 94 -4,-1.4 3,-0.3 -3,-0.3 -1,-0.2 0.849 125.3 34.0 -83.5 -39.7 -14.2 22.9 -22.0 75 73 A N H >< S+ 0 0 19 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.235 80.1 117.2-105.0 8.7 -15.9 20.0 -23.8 76 74 A R T 3< S+ 0 0 121 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.807 74.8 52.0 -40.5 -45.2 -19.4 21.6 -24.4 77 75 A N T 3 S+ 0 0 152 -3,-0.3 -1,-0.3 -4,-0.1 3,-0.1 0.500 86.9 110.5 -81.9 -4.0 -19.1 21.5 -28.2 78 76 A R S < S- 0 0 81 -3,-1.9 2,-0.2 1,-0.1 -3,-0.0 -0.197 84.2 -86.1 -67.7 160.5 -18.2 17.8 -28.5 79 77 A D > - 0 0 80 1,-0.1 4,-3.2 4,-0.0 3,-0.3 -0.492 45.1-118.7 -59.5 134.0 -20.4 15.1 -29.9 80 78 A I H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.797 112.0 45.8 -57.0 -36.0 -22.7 13.9 -27.0 81 79 A F H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 114.5 47.8 -71.3 -43.4 -21.4 10.3 -27.1 82 80 A D H > S+ 0 0 49 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.887 111.3 53.9 -58.1 -40.2 -17.8 11.4 -27.3 83 81 A F H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.967 111.6 42.5 -59.8 -52.4 -18.6 13.8 -24.5 84 82 A X H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.893 111.5 54.0 -64.3 -44.6 -19.9 11.0 -22.3 85 83 A E H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.952 112.6 44.8 -50.1 -53.3 -17.1 8.6 -23.1 86 84 A R H X S+ 0 0 94 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 112.9 51.2 -60.4 -41.1 -14.6 11.2 -22.1 87 85 A W H X S+ 0 0 23 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.909 108.5 50.5 -68.4 -39.1 -16.4 12.1 -19.0 88 86 A I H X S+ 0 0 6 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.956 107.5 53.4 -62.2 -48.8 -16.7 8.5 -17.9 89 87 A E H X S+ 0 0 87 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.950 110.5 49.6 -45.2 -51.1 -13.0 8.0 -18.4 90 88 A K H X S+ 0 0 79 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.899 110.2 48.1 -59.7 -44.3 -12.4 11.1 -16.1 91 89 A K H X S+ 0 0 36 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.851 108.6 55.7 -65.5 -35.2 -14.8 9.8 -13.4 92 90 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.944 109.7 45.8 -59.1 -48.7 -13.0 6.4 -13.5 93 91 A E H X S+ 0 0 48 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.933 111.9 51.0 -62.0 -45.1 -9.7 8.2 -12.8 94 92 A Y H X S+ 0 0 41 -4,-2.5 4,-1.8 1,-0.2 3,-0.2 0.974 110.4 50.3 -55.9 -49.1 -11.2 10.3 -10.0 95 93 A S H < S+ 0 0 16 -4,-2.6 7,-0.3 1,-0.3 -1,-0.2 0.886 110.7 46.2 -61.5 -45.5 -12.7 7.3 -8.3 96 94 A A H < S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.839 118.3 44.2 -65.8 -32.6 -9.5 5.2 -8.3 97 95 A S H < S+ 0 0 70 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.638 122.4 38.0 -85.9 -15.1 -7.5 8.2 -7.1 98 96 A H X + 0 0 62 -4,-1.8 4,-2.2 -5,-0.2 3,-0.4 -0.438 69.0 156.3-129.6 56.6 -10.2 9.2 -4.5 99 97 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 74,-0.2 0.792 70.3 55.8 -59.3 -31.5 -11.3 5.8 -3.2 100 98 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.920 109.5 47.0 -68.0 -39.5 -12.6 7.1 0.2 101 99 A E H > S+ 0 0 48 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.959 113.0 51.8 -63.4 -45.7 -14.9 9.6 -1.5 102 100 A A H X S+ 0 0 8 -4,-2.2 4,-1.5 -7,-0.3 -2,-0.2 0.909 109.7 46.5 -54.4 -50.0 -16.0 6.8 -3.8 103 101 A D H < S+ 0 0 31 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.869 113.1 51.9 -64.9 -36.1 -16.9 4.4 -1.1 104 102 A F H >< S+ 0 0 0 -4,-2.0 3,-1.9 -5,-0.2 -2,-0.2 0.953 104.4 53.8 -68.3 -46.6 -18.7 7.1 0.8 105 103 A L H >< S+ 0 0 21 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.887 101.9 58.7 -59.0 -37.0 -20.9 8.2 -2.1 106 104 A I G >< S+ 0 0 19 -4,-1.5 3,-0.9 1,-0.3 -1,-0.3 0.674 87.5 78.1 -73.5 -10.4 -22.3 4.7 -2.7 107 105 A T G X + 0 0 13 -3,-1.9 3,-0.7 -4,-0.4 4,-0.3 0.564 65.2 93.0 -71.8 -6.9 -23.6 4.6 0.9 108 106 A L G X S+ 0 0 19 -3,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.841 77.8 61.5 -60.0 -32.6 -26.6 6.7 -0.2 109 107 A V G < S+ 0 0 89 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.901 99.5 53.2 -54.6 -44.9 -28.6 3.5 -0.8 110 108 A S G < S+ 0 0 63 -3,-0.7 -1,-0.2 -4,-0.3 -86,-0.2 0.367 86.7 98.8 -84.4 7.1 -28.4 2.3 2.8 111 109 A V S < S- 0 0 5 -3,-1.0 5,-0.1 -4,-0.3 -3,-0.0 -0.604 89.7 -81.4 -91.1 156.3 -29.7 5.4 4.6 112 110 A D >> - 0 0 84 -2,-0.2 4,-2.2 1,-0.1 3,-1.0 -0.205 46.6-111.5 -56.5 146.0 -33.4 5.8 5.8 113 111 A E H 3> S+ 0 0 65 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.789 114.1 55.1 -56.5 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H X S+ 0 0 30 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.965 107.3 48.3 -69.0 -50.3 -22.4 2.3 -14.8 164 162 A E H X S+ 0 0 51 -4,-1.4 4,-2.5 -5,-0.2 5,-0.3 0.965 114.1 47.4 -43.7 -59.5 -21.1 4.6 -12.1 165 163 A E H X S+ 0 0 73 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.916 110.6 51.7 -58.2 -44.0 -23.2 2.6 -9.6 166 164 A V H X S+ 0 0 92 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.889 114.3 40.1 -63.8 -41.5 -21.9 -0.8 -10.9 167 165 A Y H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.881 110.6 57.4 -78.6 -32.3 -18.2 -0.0 -10.7 168 166 A L H < S+ 0 0 17 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.915 115.2 38.6 -62.6 -38.4 -18.4 1.8 -7.5 169 167 A R H < S+ 0 0 76 -4,-1.9 3,-0.5 -5,-0.3 -2,-0.2 0.901 116.1 50.0 -78.6 -44.5 -19.9 -1.3 -5.9 170 168 A T H < S+ 0 0 93 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.879 121.5 35.4 -60.5 -38.5 -17.8 -3.8 -7.8 171 169 A Y S >< S+ 0 0 35 -4,-2.9 3,-2.5 -5,-0.2 -1,-0.2 0.363 80.0 141.1-105.0 9.0 -14.6 -2.0 -6.8 172 170 A Q T 3 S+ 0 0 105 -3,-0.5 -3,-0.1 -4,-0.4 -4,-0.0 -0.275 83.3 1.4 -49.0 125.4 -15.5 -0.8 -3.4 173 171 A G T 3 S+ 0 0 53 -74,-0.2 -1,-0.3 1,-0.1 -4,-0.0 0.594 116.5 89.6 68.3 16.0 -12.4 -1.1 -1.2 174 172 A K X> + 0 0 51 -3,-2.5 4,-1.8 1,-0.1 3,-0.8 -0.354 38.7 152.9-140.0 55.0 -10.3 -2.4 -4.1 175 173 A P H 3> S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.828 74.5 56.0 -54.6 -38.8 -8.7 0.7 -5.9 176 174 A E H 3> S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.812 106.3 52.2 -68.8 -26.4 -5.7 -1.2 -7.2 177 175 A L H <> S+ 0 0 96 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.918 107.7 50.5 -73.5 -42.8 -8.1 -3.6 -8.9 178 176 A L H X S+ 0 0 6 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.929 111.3 49.7 -55.9 -45.5 -10.0 -0.7 -10.6 179 177 A K H >< S+ 0 0 97 -4,-2.2 3,-0.5 1,-0.2 4,-0.4 0.896 109.9 50.1 -63.4 -43.5 -6.6 0.6 -11.8 180 178 A R H 3< S+ 0 0 117 -4,-2.0 3,-0.3 1,-0.2 4,-0.3 0.906 117.1 40.8 -58.7 -42.1 -5.7 -2.8 -13.1 181 179 A D H 3X S+ 0 0 56 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.467 87.9 102.3 -88.3 0.3 -9.0 -3.0 -15.0 182 180 A X H S+ 0 0 133 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.864 115.3 46.4 -61.5 -43.4 -8.0 0.2 -19.7 184 182 A T H > S+ 0 0 79 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.896 112.3 50.9 -62.3 -46.4 -10.4 -2.7 -20.3 185 183 A L H X S+ 0 0 17 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.949 109.6 50.6 -58.2 -49.4 -13.3 -0.8 -18.7 186 184 A V H X S+ 0 0 16 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.897 112.8 46.1 -57.6 -41.0 -12.6 2.2 -20.8 187 185 A E H X S+ 0 0 92 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.879 111.7 50.3 -71.7 -37.3 -12.7 0.1 -24.0 188 186 A E H X S+ 0 0 101 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.962 110.6 51.1 -62.1 -48.3 -15.8 -1.8 -22.9 189 187 A V H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.884 106.8 55.5 -54.0 -41.8 -17.5 1.6 -22.3 190 188 A K H X S+ 0 0 75 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.935 109.8 43.1 -58.6 -49.6 -16.5 2.8 -25.7 191 189 A V H X S+ 0 0 58 -4,-1.8 4,-2.2 2,-0.2 3,-0.2 0.946 111.7 55.3 -65.6 -45.1 -18.1 -0.1 -27.6 192 190 A X H X S+ 0 0 67 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.899 108.0 47.6 -55.4 -43.7 -21.3 0.1 -25.4 193 191 A L H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.842 110.3 54.1 -65.9 -32.8 -21.8 3.8 -26.3 194 192 A R H X S+ 0 0 153 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.805 107.2 50.8 -70.6 -29.7 -21.2 2.9 -29.9 195 193 A I H X S+ 0 0 108 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.931 111.8 46.8 -68.9 -47.1 -23.9 0.3 -29.6 196 194 A L H X S+ 0 0 18 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.965 112.6 50.1 -58.4 -49.8 -26.3 2.9 -28.1 197 195 A K H X S+ 0 0 51 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.922 115.6 42.4 -52.6 -49.6 -25.4 5.4 -30.8 198 196 A K H < S+ 0 0 174 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.915 118.1 43.7 -67.6 -46.2 -26.0 2.9 -33.6 199 197 A G H < S+ 0 0 60 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.713 118.2 47.6 -68.5 -20.3 -29.2 1.4 -32.2 200 198 A X H < S+ 0 0 10 -4,-1.9 -56,-2.1 -5,-0.3 2,-0.2 0.691 107.9 50.7 -97.8 -22.1 -30.5 4.8 -31.3 201 199 A T B < A 143 0A 29 -4,-1.4 -58,-0.3 -3,-0.3 -60,-0.0 -0.742 360.0 360.0-125.6 163.3 -30.0 6.8 -34.4 202 200 A K 0 0 136 -60,-3.1 -59,-0.1 -2,-0.2 -1,-0.1 0.903 360.0 360.0 -76.2 360.0 -30.7 6.5 -38.2