==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 14-SEP-06 2ID6 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.D.KOCLEGA,M.CHRUSZCZ,W.MINOR . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 80.2 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 2 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 0 124 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.6 30.0 9.5 -10.3 2 0 A H - 0 0 203 1,-0.0 2,-0.2 3,-0.0 3,-0.1 -0.480 360.0-174.0 -63.0 129.8 26.5 8.8 -9.0 3 1 A X - 0 0 144 -2,-0.2 3,-0.1 1,-0.1 6,-0.0 -0.651 37.3 -71.8-112.3 177.5 24.1 11.7 -9.6 4 2 A L - 0 0 90 -2,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.375 56.0-101.9 -62.6 147.0 20.5 12.2 -8.4 5 3 A S > - 0 0 60 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.316 37.8-107.7 -55.9 156.8 17.9 10.0 -10.1 6 4 A K H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 121.8 51.4 -63.1 -37.3 16.0 12.0 -12.8 7 5 A R H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.953 112.7 45.2 -60.7 -48.4 12.9 12.1 -10.6 8 6 A D H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.852 111.4 53.5 -65.0 -36.9 14.9 13.4 -7.6 9 7 A A H X S+ 0 0 14 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.918 111.5 45.5 -61.3 -43.1 16.7 15.9 -9.9 10 8 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.930 112.5 50.9 -67.2 -43.3 13.3 17.2 -11.0 11 9 A L H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.901 109.5 51.1 -60.9 -42.3 12.0 17.3 -7.4 12 10 A K H X S+ 0 0 109 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.930 113.3 43.8 -57.8 -50.2 15.1 19.3 -6.3 13 11 A A H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.857 111.9 54.7 -64.0 -37.2 14.7 21.9 -9.0 14 12 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.955 107.1 49.3 -65.4 -46.4 10.9 22.0 -8.3 15 13 A V H X S+ 0 0 15 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.924 114.8 46.7 -54.1 -47.1 11.6 22.8 -4.6 16 14 A E H X S+ 0 0 48 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.963 117.0 40.7 -58.4 -56.1 14.0 25.6 -5.7 17 15 A V H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 5,-0.4 0.933 116.7 47.2 -66.3 -48.9 11.8 27.2 -8.4 18 16 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.878 112.2 52.2 -58.7 -38.6 8.5 26.9 -6.4 19 17 A G H < S+ 0 0 10 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.881 116.2 40.6 -63.9 -35.6 10.3 28.4 -3.3 20 18 A K H < S+ 0 0 117 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.864 132.6 18.3 -81.6 -36.6 11.6 31.3 -5.4 21 19 A K H X S- 0 0 92 -4,-2.7 4,-0.6 1,-0.2 -3,-0.2 0.558 99.5-120.5-116.7 -12.4 8.5 32.1 -7.5 22 20 A G H X - 0 0 14 -4,-2.2 4,-1.6 -5,-0.4 -1,-0.2 -0.133 40.7 -72.4 81.3 170.3 5.5 30.5 -5.9 23 21 A Y H 4 S+ 0 0 18 84,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.916 127.0 46.7 -66.9 -50.2 3.2 27.9 -7.5 24 22 A D H 4 S+ 0 0 107 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.924 116.7 41.0 -62.6 -49.7 1.4 30.1 -10.0 25 23 A R H < S+ 0 0 195 -4,-0.6 -1,-0.2 -7,-0.1 -2,-0.2 0.849 94.1 96.7 -69.5 -36.3 4.4 32.0 -11.4 26 24 A A < - 0 0 1 -4,-1.6 2,-0.4 -8,-0.1 3,-0.1 -0.168 64.0-149.5 -56.8 143.2 6.7 28.9 -11.5 27 25 A T > - 0 0 64 1,-0.1 4,-1.9 22,-0.0 3,-0.2 -0.941 18.5-138.2-116.6 142.5 6.9 27.2 -14.9 28 26 A T H > S+ 0 0 42 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.859 105.9 60.4 -61.6 -33.3 7.5 23.5 -15.6 29 27 A D H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 106.8 44.1 -63.0 -38.7 9.8 24.5 -18.5 30 28 A E H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.845 111.1 54.4 -76.7 -31.4 12.1 26.4 -16.1 31 29 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.945 110.6 46.8 -60.5 -47.0 12.0 23.5 -13.6 32 30 A A H X>S+ 0 0 1 -4,-2.9 5,-2.2 1,-0.2 4,-1.2 0.947 113.1 48.3 -63.3 -45.5 13.1 21.2 -16.5 33 31 A E H <5S+ 0 0 79 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.910 112.6 48.5 -57.5 -43.6 15.9 23.6 -17.5 34 32 A K H <5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 113.5 47.4 -65.7 -35.5 17.0 23.9 -13.9 35 33 A A H <5S- 0 0 19 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.578 110.1-123.6 -79.0 -15.5 17.0 20.1 -13.5 36 34 A G T <5 + 0 0 64 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.854 68.3 126.9 73.3 34.7 18.9 19.5 -16.8 37 35 A V < - 0 0 16 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.887 69.0 -92.5-123.5 155.3 16.1 17.3 -18.2 38 36 A A > - 0 0 71 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.345 39.3-116.3 -62.6 145.7 14.2 17.4 -21.5 39 37 A K T >> S+ 0 0 78 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.847 112.7 60.4 -55.6 -36.5 10.9 19.3 -21.2 40 38 A G H 3> S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.656 88.4 73.6 -64.1 -17.2 8.9 16.2 -21.9 41 39 A L H <> S+ 0 0 49 -3,-1.9 4,-2.2 2,-0.2 5,-0.3 0.764 86.4 62.3 -75.4 -22.8 10.3 14.3 -18.9 42 40 A I H <> S+ 0 0 6 -3,-1.2 4,-2.8 -4,-0.5 5,-0.4 0.962 107.8 42.8 -67.9 -45.2 8.2 16.4 -16.5 43 41 A F H X S+ 0 0 146 -4,-0.6 4,-2.1 3,-0.2 -2,-0.2 0.932 110.9 58.4 -56.9 -46.5 5.0 15.0 -18.1 44 42 A H H < S+ 0 0 129 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.929 121.9 21.8 -54.0 -47.4 6.6 11.5 -18.1 45 43 A Y H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.748 140.0 21.6 -93.7 -29.5 7.2 11.4 -14.4 46 44 A F H < S- 0 0 4 -4,-2.8 2,-3.1 -5,-0.3 -3,-0.2 0.430 77.2-145.4-130.3 2.7 4.7 13.9 -13.0 47 45 A K S < S- 0 0 96 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.1 -0.277 72.4 -0.4 69.4 -58.6 1.9 14.5 -15.5 48 46 A N S > S- 0 0 72 -2,-3.1 4,-2.1 -6,-0.1 5,-0.2 -0.924 79.3 -91.4-152.8 173.3 1.4 18.2 -14.7 49 47 A K H > S+ 0 0 53 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.844 120.8 54.1 -59.8 -36.7 2.5 21.1 -12.6 50 48 A E H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 110.8 44.6 -64.2 -48.3 -0.1 20.4 -9.9 51 49 A E H > S+ 0 0 47 2,-0.2 4,-2.9 -5,-0.2 -2,-0.2 0.867 112.4 53.1 -64.3 -35.4 1.0 16.8 -9.5 52 50 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.945 110.7 46.2 -64.8 -48.6 4.7 17.9 -9.5 53 51 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.931 113.2 51.2 -57.5 -44.5 4.0 20.4 -6.7 54 52 A Y H X S+ 0 0 28 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.941 111.2 46.3 -59.4 -51.2 2.1 17.7 -4.8 55 53 A Q H X S+ 0 0 46 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.890 113.2 49.3 -61.8 -38.6 4.9 15.2 -5.1 56 54 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.926 111.4 49.6 -66.1 -41.5 7.5 17.8 -4.0 57 55 A Y H X S+ 0 0 18 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.940 113.2 46.1 -65.2 -42.8 5.4 18.8 -1.0 58 56 A X H X S+ 0 0 35 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.869 111.2 53.0 -66.4 -34.2 4.9 15.2 0.0 59 57 A S H X S+ 0 0 50 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.935 112.1 43.6 -68.6 -46.0 8.6 14.4 -0.4 60 58 A V H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 3,-0.2 0.937 114.6 49.1 -65.9 -48.7 9.8 17.4 1.7 61 59 A T H X S+ 0 0 23 -4,-2.5 4,-3.1 -5,-0.2 -1,-0.2 0.854 105.7 58.2 -60.1 -34.1 7.2 16.7 4.5 62 60 A E H X S+ 0 0 101 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 106.6 48.5 -61.4 -41.4 8.1 13.0 4.6 63 61 A K H X S+ 0 0 78 -4,-1.5 4,-1.9 -3,-0.2 -2,-0.2 0.927 113.2 47.5 -61.6 -46.6 11.7 14.0 5.4 64 62 A L H X S+ 0 0 45 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.894 107.8 55.4 -63.5 -40.2 10.4 16.4 8.2 65 63 A Q H X S+ 0 0 33 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.901 106.6 51.3 -61.6 -39.9 8.2 13.6 9.5 66 64 A K H X S+ 0 0 77 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.923 108.9 50.3 -60.0 -44.9 11.2 11.3 9.9 67 65 A E H X S+ 0 0 97 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.922 113.5 47.4 -56.5 -46.6 13.1 14.1 11.8 68 66 A F H X S+ 0 0 9 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.916 108.8 51.9 -64.6 -45.0 10.0 14.4 14.1 69 67 A E H X S+ 0 0 83 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.892 110.4 49.8 -62.4 -33.9 9.6 10.7 14.7 70 68 A N H X S+ 0 0 96 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.896 113.3 46.5 -67.0 -41.6 13.3 10.4 15.7 71 69 A F H X S+ 0 0 14 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.913 109.7 53.4 -67.3 -44.3 12.9 13.4 18.1 72 70 A L H X S+ 0 0 10 -4,-3.0 4,-1.5 1,-0.2 3,-0.4 0.894 105.7 53.3 -59.5 -42.7 9.6 12.1 19.6 73 71 A X H < S+ 0 0 148 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.922 114.7 41.6 -58.5 -44.2 11.2 8.7 20.4 74 72 A K H < S+ 0 0 174 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.642 126.6 31.8 -75.8 -18.8 14.1 10.4 22.3 75 73 A N H >< S+ 0 0 13 -4,-1.3 3,-2.0 -3,-0.4 -2,-0.2 0.353 76.7 113.2-127.6 2.9 11.9 13.0 24.1 76 74 A R T 3< S+ 0 0 124 -4,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.753 76.9 56.3 -52.7 -33.4 8.4 11.5 24.7 77 75 A N T 3 S+ 0 0 154 -4,-0.2 -1,-0.3 -5,-0.1 3,-0.1 0.584 86.9 109.3 -79.2 -7.7 8.8 11.5 28.5 78 76 A R S < S- 0 0 82 -3,-2.0 -3,-0.0 1,-0.1 2,-0.0 -0.264 83.7 -91.1 -68.6 154.3 9.5 15.2 28.7 79 77 A D > - 0 0 63 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.351 44.0-117.9 -50.4 137.3 7.2 17.9 30.1 80 78 A I H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.878 112.4 46.9 -60.4 -39.4 5.1 19.2 27.1 81 79 A F H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 114.0 48.4 -67.3 -40.3 6.4 22.8 27.2 82 80 A D H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.934 112.7 49.8 -60.4 -46.5 10.0 21.5 27.6 83 81 A F H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.935 112.3 46.7 -55.7 -51.2 9.3 19.2 24.6 84 82 A X H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.905 111.3 51.0 -62.8 -44.2 7.9 22.0 22.5 85 83 A E H X S+ 0 0 19 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.933 113.5 45.5 -58.8 -44.4 10.8 24.4 23.3 86 84 A R H X S+ 0 0 102 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.882 112.9 49.2 -70.4 -37.6 13.3 21.7 22.4 87 85 A W H X S+ 0 0 25 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.912 108.1 54.3 -67.4 -43.6 11.5 20.8 19.2 88 86 A I H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.914 106.2 52.9 -55.5 -42.4 11.2 24.4 18.2 89 87 A E H X S+ 0 0 70 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.928 110.9 47.5 -56.8 -46.3 15.0 24.7 18.6 90 88 A K H X S+ 0 0 120 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.919 111.0 49.6 -63.4 -45.5 15.4 21.7 16.2 91 89 A K H X S+ 0 0 19 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.911 110.5 51.2 -61.6 -42.5 13.0 23.1 13.6 92 90 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.918 111.9 47.1 -55.8 -46.9 14.9 26.4 13.6 93 91 A E H X S+ 0 0 48 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.881 112.8 49.6 -62.9 -40.7 18.2 24.6 13.1 94 92 A Y H X S+ 0 0 29 -4,-2.6 4,-1.6 1,-0.2 3,-0.2 0.936 109.9 49.8 -65.2 -43.6 16.7 22.5 10.3 95 93 A S H < S+ 0 0 14 -4,-2.7 7,-0.3 1,-0.2 -2,-0.2 0.878 109.0 52.3 -66.0 -37.6 15.2 25.5 8.5 96 94 A A H < S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 115.7 40.9 -65.1 -33.1 18.5 27.4 8.6 97 95 A S H < S+ 0 0 74 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.590 121.7 41.7 -91.2 -13.7 20.4 24.4 7.1 98 96 A H X + 0 0 58 -4,-1.6 4,-2.2 -5,-0.1 3,-0.2 -0.479 68.2 154.8-126.0 57.3 17.6 23.6 4.6 99 97 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 74,-0.2 0.844 71.5 53.8 -63.6 -32.9 16.7 27.1 3.4 100 98 A E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.924 110.4 47.0 -64.5 -42.5 15.3 26.0 0.0 101 99 A E H > S+ 0 0 32 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 111.9 51.6 -61.7 -41.9 13.0 23.5 1.7 102 100 A A H X S+ 0 0 8 -4,-2.2 4,-1.4 -7,-0.3 -2,-0.2 0.922 110.3 47.3 -61.2 -49.8 11.9 26.1 4.2 103 101 A D H < S+ 0 0 29 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.870 112.0 52.9 -60.7 -38.8 11.0 28.7 1.4 104 102 A F H >< S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.2 4,-0.2 0.929 103.4 54.9 -62.3 -46.6 9.2 25.9 -0.5 105 103 A L H >< S+ 0 0 22 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.873 100.6 59.3 -59.4 -36.6 6.9 24.8 2.4 106 104 A I G >< S+ 0 0 17 -4,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.604 88.2 76.5 -72.9 -6.8 5.6 28.3 3.0 107 105 A T G X> + 0 0 11 -3,-1.7 3,-1.5 -4,-0.3 4,-0.8 0.596 66.8 90.3 -77.3 -11.7 4.2 28.5 -0.6 108 106 A L G X4 S+ 0 0 19 -3,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.859 79.4 61.1 -54.1 -35.5 1.2 26.2 0.2 109 107 A V G <4 S+ 0 0 85 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.801 100.3 57.5 -60.1 -29.8 -0.9 29.3 1.1 110 108 A S G <4 S+ 0 0 50 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.762 87.4 92.5 -71.3 -32.4 -0.4 30.5 -2.5 111 109 A V S << S- 0 0 1 -4,-0.8 -3,-0.0 -3,-0.7 -89,-0.0 -0.093 87.7 -87.0 -69.6 162.9 -1.9 27.5 -4.3 112 110 A D > - 0 0 71 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.256 42.5-104.3 -67.3 162.3 -5.6 27.2 -5.4 113 111 A E H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.835 117.0 55.3 -62.1 -37.1 -8.1 25.8 -2.9 114 112 A G H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 113.0 40.6 -60.9 -49.8 -8.4 22.4 -4.5 115 113 A L H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.913 114.7 51.2 -67.0 -43.7 -4.6 21.7 -4.4 116 114 A R H X S+ 0 0 91 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.920 112.6 47.0 -59.0 -43.1 -4.2 23.1 -0.9 117 115 A K H X S+ 0 0 82 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.923 108.7 54.9 -67.8 -44.2 -7.1 21.0 0.4 118 116 A R H X S+ 0 0 74 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.929 112.4 43.6 -51.4 -48.8 -5.7 17.9 -1.3 119 117 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.939 113.0 50.1 -65.6 -46.8 -2.3 18.4 0.5 120 118 A L H X S+ 0 0 77 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.884 111.3 50.0 -62.6 -38.4 -3.9 19.2 3.9 121 119 A L H >< S+ 0 0 119 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.936 113.8 45.5 -61.3 -45.5 -6.1 16.1 3.6 122 120 A D H 3< S+ 0 0 78 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.702 114.1 48.2 -76.1 -20.3 -3.1 13.9 2.8 123 121 A L H 3X S+ 0 0 13 -4,-1.8 4,-2.7 1,-0.1 5,-0.3 0.542 86.3 90.2 -91.1 -11.1 -0.9 15.4 5.5 124 122 A E H S+ 0 0 127 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.943 113.3 43.7 -59.2 -47.3 -2.4 11.6 9.4 126 124 A S H >> S+ 0 0 31 -4,-0.3 3,-1.0 1,-0.2 4,-0.6 0.904 115.5 47.9 -65.1 -42.4 1.3 12.7 9.8 127 125 A Q H 3X S+ 0 0 105 -4,-2.7 4,-1.8 1,-0.2 3,-0.2 0.784 101.4 65.5 -70.9 -28.9 0.4 16.0 11.5 128 126 A R H 3X S+ 0 0 106 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.718 86.4 71.8 -63.4 -20.5 -2.0 14.2 13.9 129 127 A V H < S+ 0 0 122 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.890 111.6 53.2 -69.1 -38.2 -2.3 13.2 25.7 137 135 A K H >< S+ 0 0 27 -4,-2.4 3,-2.1 1,-0.2 4,-0.3 0.842 94.8 69.0 -66.3 -31.5 0.3 15.2 27.5 138 136 A L H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.768 87.5 67.7 -59.8 -23.3 -2.3 17.9 28.5 139 137 A K T << S+ 0 0 97 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.726 96.1 55.4 -61.8 -25.8 -3.8 15.3 30.8 140 138 A D T < S+ 0 0 130 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.464 91.4 98.1 -86.0 -1.4 -0.6 15.5 32.9 141 139 A L S < S- 0 0 24 -3,-1.3 2,-1.4 -4,-0.3 -3,-0.0 -0.699 73.7-135.0 -97.0 141.1 -1.0 19.3 33.3 142 140 A D - 0 0 114 -2,-0.3 60,-2.6 0, 0.0 3,-0.1 -0.685 37.1-159.5 -92.7 83.7 -2.5 20.9 36.3 143 141 A L B -A 201 0A 28 -2,-1.4 58,-0.3 58,-0.3 57,-0.1 -0.280 22.4 -98.7 -75.9 150.6 -4.8 23.3 34.5 144 142 A A > - 0 0 18 56,-2.9 3,-1.1 1,-0.1 -1,-0.1 -0.203 40.2-109.8 -55.2 155.7 -6.3 26.5 35.9 145 143 A E T 3 S+ 0 0 90 1,-0.2 -1,-0.1 56,-0.1 -2,-0.1 0.780 118.3 46.5 -63.1 -26.7 -9.8 25.9 37.0 146 144 A D T 3 S+ 0 0 142 2,-0.1 2,-0.6 1,-0.0 -1,-0.2 0.439 94.5 89.1 -96.2 2.4 -11.1 28.1 34.1 147 145 A V < - 0 0 32 -3,-1.1 2,-0.1 53,-0.1 -4,-0.1 -0.880 64.3-150.9-110.2 117.9 -9.0 26.6 31.4 148 146 A T > - 0 0 70 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.431 26.6-117.4 -79.3 154.4 -10.4 23.6 29.5 149 147 A E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.852 116.7 57.3 -55.6 -33.3 -8.1 20.9 27.9 150 148 A E H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 107.5 42.7 -67.3 -47.7 -9.6 22.1 24.6 151 149 A I H > S+ 0 0 80 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.902 114.6 52.3 -64.7 -41.6 -8.6 25.8 24.8 152 150 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.953 112.0 46.4 -58.0 -46.5 -5.2 24.7 26.1 153 151 A L H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.932 113.6 47.5 -62.4 -49.1 -4.8 22.4 23.2 154 152 A K H X S+ 0 0 147 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.911 114.5 46.8 -55.6 -48.0 -6.0 25.1 20.6 155 153 A F H X S+ 0 0 92 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.918 113.4 47.2 -67.6 -45.2 -3.7 27.8 22.1 156 154 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.891 112.8 48.9 -65.2 -37.8 -0.6 25.6 22.2 157 155 A X H X S+ 0 0 37 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.888 112.1 49.1 -71.6 -35.7 -1.1 24.3 18.7 158 156 A W H X S+ 0 0 173 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.914 111.3 50.1 -64.4 -45.2 -1.6 27.8 17.4 159 157 A F H X S+ 0 0 33 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.967 115.0 43.2 -58.9 -49.0 1.6 29.0 19.2 160 158 A F H X S+ 0 0 19 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.964 122.3 36.4 -63.4 -53.5 3.6 26.1 17.8 161 159 A S H X S+ 0 0 55 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.850 118.1 51.0 -72.7 -33.9 2.3 26.3 14.2 162 160 A G H X S+ 0 0 18 -4,-2.9 4,-2.9 -5,-0.3 -1,-0.2 0.883 106.6 54.2 -67.7 -40.2 2.0 30.1 14.2 163 161 A F H X S+ 0 0 34 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.933 110.6 47.9 -60.1 -45.4 5.6 30.6 15.4 164 162 A E H X S+ 0 0 58 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.930 111.2 49.0 -60.2 -47.8 6.8 28.4 12.6 165 163 A E H X S+ 0 0 75 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.944 112.4 49.9 -62.5 -43.0 4.8 30.3 10.0 166 164 A V H X S+ 0 0 84 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.930 113.4 42.8 -61.7 -47.0 6.0 33.6 11.3 167 165 A Y H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.912 113.6 51.8 -72.7 -32.1 9.7 32.8 11.3 168 166 A L H < S+ 0 0 14 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.896 116.2 41.4 -66.4 -37.1 9.6 31.0 7.8 169 167 A R H >< S+ 0 0 132 -4,-2.1 3,-0.8 -5,-0.3 -2,-0.2 0.914 115.1 50.0 -74.4 -45.0 7.9 34.0 6.3 170 168 A T H 3< S+ 0 0 95 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.927 119.9 35.4 -60.8 -46.0 10.1 36.6 8.1 171 169 A Y T >< S+ 0 0 35 -4,-2.6 3,-2.8 -5,-0.2 -1,-0.2 0.212 80.8 146.4 -97.9 13.2 13.4 34.9 7.1 172 170 A Q T < S+ 0 0 101 -3,-0.8 -3,-0.1 1,-0.3 -4,-0.0 -0.295 80.4 2.0 -51.2 124.5 12.4 33.7 3.7 173 171 A G T 3 S+ 0 0 52 -74,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.457 116.7 90.5 75.8 2.8 15.4 33.9 1.4 174 172 A K X> + 0 0 49 -3,-2.8 4,-1.6 1,-0.1 3,-0.7 -0.491 36.1 154.3-130.0 64.5 17.6 35.1 4.3 175 173 A P H 3> S+ 0 0 35 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.825 74.4 59.6 -68.8 -25.1 19.2 32.1 6.1 176 174 A E H 3> S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.831 105.1 50.6 -67.6 -30.3 22.2 34.1 7.3 177 175 A L H <> S+ 0 0 101 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.894 109.0 50.7 -72.3 -39.3 19.8 36.4 9.2 178 176 A L H X S+ 0 0 6 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.939 111.1 48.7 -61.9 -47.1 18.0 33.4 10.8 179 177 A K H >< S+ 0 0 104 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.911 111.9 49.6 -59.4 -41.0 21.4 32.1 11.9 180 178 A R H 3< S+ 0 0 75 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.861 118.6 38.8 -63.7 -37.6 22.3 35.5 13.3 181 179 A D H 3X S+ 0 0 62 -4,-2.1 4,-2.7 1,-0.1 3,-0.3 0.472 87.3 97.0 -91.2 -5.9 19.0 35.8 15.2 182 180 A X H S+ 0 0 132 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.911 115.0 44.6 -58.3 -41.3 20.0 32.6 19.9 184 182 A T H > S+ 0 0 81 -3,-0.3 4,-2.4 -4,-0.2 -2,-0.2 0.927 112.8 50.7 -65.5 -46.1 17.6 35.6 20.4 185 183 A L H X S+ 0 0 17 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.908 110.0 50.2 -59.6 -45.1 14.7 33.7 18.9 186 184 A V H X S+ 0 0 17 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.909 110.2 49.1 -61.9 -42.8 15.3 30.7 21.2 187 185 A E H X S+ 0 0 88 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.910 112.0 50.0 -64.9 -37.9 15.5 32.9 24.3 188 186 A E H X S+ 0 0 91 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 109.1 50.9 -63.6 -47.6 12.2 34.6 23.2 189 187 A V H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.896 107.1 54.5 -53.5 -47.7 10.5 31.2 22.7 190 188 A K H X S+ 0 0 77 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.925 111.4 44.4 -55.2 -47.0 11.5 30.0 26.2 191 189 A V H X S+ 0 0 57 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.927 113.2 49.9 -68.5 -42.9 9.9 33.1 27.8 192 190 A X H X S+ 0 0 87 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 111.0 49.3 -61.0 -40.4 6.8 32.9 25.7 193 191 A L H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.882 110.1 51.7 -67.9 -36.5 6.3 29.2 26.5 194 192 A R H X S+ 0 0 151 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.887 108.4 51.6 -63.2 -40.8 6.9 30.1 30.2 195 193 A I H X S+ 0 0 111 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.935 111.7 47.3 -61.6 -47.2 4.2 32.8 30.0 196 194 A L H X S+ 0 0 18 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.939 112.0 49.0 -59.3 -46.4 1.8 30.2 28.4 197 195 A K H X S+ 0 0 69 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.932 112.7 47.5 -58.3 -49.4 2.5 27.6 31.0 198 196 A K H < S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.913 115.0 46.3 -58.7 -43.8 2.0 30.0 33.9 199 197 A G H < S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.747 116.3 44.2 -71.5 -25.9 -1.3 31.3 32.4 200 198 A X H < S+ 0 0 7 -4,-1.8 -56,-2.9 -3,-0.2 -1,-0.2 0.692 108.4 62.8 -88.3 -25.6 -2.7 27.9 31.7 201 199 A T B < A 143 0A 26 -4,-1.8 -58,-0.3 -58,-0.3 -56,-0.1 -0.613 360.0 360.0-108.7 163.2 -1.8 26.2 34.9 202 200 A K 0 0 128 -60,-2.6 -59,-0.1 -2,-0.2 -1,-0.1 0.818 360.0 360.0 -67.2 360.0 -2.7 26.5 38.6