==== 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 20-DEC-07 3BQY . COMPND 2 MOLECULE: PUTATIVE TETR FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR A3(2); . AUTHOR M.E.CUFF,T.SKARINA,O.KAGAN,A.M.EDWARDS,A.SAVCHENKO,A.JOACHIM . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 75.6 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 . 1 0.5 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 . 26 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 59.0 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 1 2 1 0 1 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 1 0 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 16 A D > 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.2 1.9 53.4 37.0 2 17 A R H > + 0 0 147 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.929 360.0 49.1 -60.8 -44.5 5.6 54.2 36.6 3 18 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.865 111.5 47.0 -62.5 -42.2 5.9 50.8 35.0 4 19 A R H > S+ 0 0 178 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.835 111.2 52.4 -69.6 -36.9 3.0 51.3 32.6 5 20 A T H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.909 109.1 49.8 -63.4 -44.1 4.3 54.8 31.7 6 21 A V H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.910 111.5 48.9 -61.9 -41.7 7.7 53.2 30.9 7 22 A Q H X S+ 0 0 82 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.924 111.2 48.8 -65.0 -45.0 6.0 50.5 28.7 8 23 A T H X S+ 0 0 36 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.919 111.0 51.3 -59.3 -43.5 3.9 53.1 26.8 9 24 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 109.3 49.6 -60.7 -44.0 7.1 55.2 26.3 10 25 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.870 110.3 51.6 -61.6 -39.5 8.9 52.1 24.9 11 26 A D H X S+ 0 0 79 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.955 111.1 47.4 -58.3 -50.1 5.9 51.5 22.6 12 27 A L H X>S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 5,-0.5 0.877 107.0 58.1 -58.4 -41.6 6.1 55.2 21.4 13 28 A L H X5S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.938 108.0 45.4 -56.8 -48.0 9.8 54.8 20.8 14 29 A N H <5S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 112.6 53.5 -63.7 -31.9 9.2 51.9 18.4 15 30 A E H <5S- 0 0 130 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.916 134.2 -5.3 -73.3 -46.5 6.5 53.8 16.7 16 31 A S H <5S- 0 0 39 -4,-2.5 4,-0.3 1,-0.2 -3,-0.2 0.330 100.2-110.8-139.7 9.7 8.2 57.1 15.8 17 32 A G >X< - 0 0 2 -4,-2.2 3,-0.8 -5,-0.5 4,-0.5 0.067 39.3 -65.1 87.4 167.1 11.7 57.1 17.4 18 33 A L G >4 S+ 0 0 21 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.833 121.8 61.9 -62.7 -40.0 13.6 58.9 20.1 19 34 A D G 34 S+ 0 0 126 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.785 107.4 44.6 -61.2 -25.9 13.5 62.4 18.6 20 35 A T G <4 S+ 0 0 61 -3,-0.8 2,-0.8 -4,-0.3 -1,-0.2 0.513 85.2 109.1 -96.9 -6.7 9.6 62.5 18.6 21 36 A L << + 0 0 2 -3,-1.0 2,-0.3 -4,-0.5 3,-0.1 -0.615 43.8 158.0 -75.2 108.1 9.3 61.1 22.2 22 37 A T > - 0 0 59 -2,-0.8 4,-2.7 1,-0.1 5,-0.2 -0.885 55.3-115.7-123.9 160.9 8.2 64.0 24.4 23 38 A X H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.905 121.6 50.4 -59.5 -39.6 6.4 64.1 27.7 24 39 A R H > S+ 0 0 179 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 109.7 49.2 -63.2 -45.0 3.5 65.8 25.9 25 40 A R H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.899 113.0 48.2 -60.0 -44.2 3.5 63.0 23.2 26 41 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.876 110.6 50.9 -61.7 -42.9 3.5 60.4 26.0 27 42 A A H X>S+ 0 0 5 -4,-2.5 5,-2.1 2,-0.2 4,-0.6 0.904 110.3 49.2 -60.2 -44.1 0.7 62.2 27.8 28 43 A Q H ><5S+ 0 0 140 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.946 109.9 53.3 -60.9 -45.2 -1.4 62.3 24.5 29 44 A A H 3<5S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 116.2 37.2 -58.4 -35.9 -0.6 58.5 24.2 30 45 A X H 3<5S- 0 0 51 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.327 108.3-121.0-100.1 4.6 -1.9 57.7 27.7 31 46 A D T <<5S+ 0 0 149 -3,-1.2 2,-0.2 -4,-0.6 -3,-0.2 0.929 73.7 115.5 52.0 50.4 -4.8 60.2 27.6 32 47 A V S > - 0 0 160 -2,-0.2 3,-1.3 1,-0.1 4,-0.9 -0.726 32.5-122.0 -88.5 147.5 -2.3 65.7 31.3 34 49 A A H >> S+ 0 0 15 -2,-0.3 4,-1.6 1,-0.3 3,-0.5 0.875 112.7 68.3 -58.5 -34.6 1.5 66.1 31.0 35 50 A G H 3> S+ 0 0 42 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.855 94.5 56.2 -46.0 -43.3 1.3 67.4 34.6 36 51 A A H X> S+ 0 0 20 -3,-1.3 3,-1.3 1,-0.2 4,-0.6 0.902 104.5 50.9 -58.7 -45.6 0.4 63.9 35.6 37 52 A L H XX S+ 0 0 4 -4,-0.9 4,-2.5 -3,-0.5 3,-0.9 0.815 101.4 61.8 -63.8 -35.0 3.6 62.4 34.1 38 53 A Y H 3< S+ 0 0 110 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.621 95.1 62.0 -69.7 -15.1 5.8 64.9 35.9 39 54 A R H << S+ 0 0 196 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.767 113.1 36.0 -75.4 -28.0 4.5 63.5 39.2 40 55 A Y H << S+ 0 0 87 -3,-0.9 2,-0.4 -4,-0.6 -2,-0.2 0.783 131.2 27.9 -91.8 -33.9 6.1 60.1 38.3 41 56 A F < - 0 0 9 -4,-2.5 -1,-0.3 1,-0.1 6,-0.1 -0.953 65.9-156.2-133.2 113.9 9.1 61.5 36.5 42 57 A A S S+ 0 0 84 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.794 81.9 5.6 -59.4 -30.8 10.5 64.9 37.5 43 58 A A S >> S- 0 0 36 1,-0.1 4,-1.4 -20,-0.0 3,-0.8 -0.957 77.8-106.4-147.8 161.2 12.1 65.3 34.1 44 59 A K H 3> S+ 0 0 82 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.869 118.3 62.5 -58.4 -35.2 12.3 63.5 30.7 45 60 A Q H 3> S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 55,-0.4 0.841 100.6 53.7 -60.7 -31.9 15.8 62.3 31.5 46 61 A D H <> S+ 0 0 66 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.905 109.3 47.5 -68.9 -42.7 14.3 60.4 34.5 47 62 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.951 112.7 49.0 -59.5 -50.0 11.9 58.7 32.2 48 63 A L H X S+ 0 0 34 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.900 109.8 52.0 -57.3 -41.3 14.8 57.9 29.7 49 64 A T H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.925 110.5 47.8 -61.3 -44.8 16.9 56.5 32.6 50 65 A A H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.885 111.5 51.2 -64.4 -38.3 14.0 54.2 33.7 51 66 A X H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.931 110.0 48.5 -60.7 -48.1 13.5 53.1 30.1 52 67 A A H X S+ 0 0 1 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.913 111.3 50.2 -61.4 -43.5 17.2 52.2 29.7 53 68 A E H < S+ 0 0 35 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.915 112.6 47.3 -64.7 -41.2 17.2 50.3 33.0 54 69 A H H >< S+ 0 0 87 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.883 104.6 60.3 -65.0 -40.2 14.1 48.3 31.9 55 70 A X H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 106.3 47.9 -57.0 -35.3 15.6 47.5 28.4 56 71 A V T >< S+ 0 0 3 -4,-1.3 3,-2.0 -3,-0.3 4,-0.5 0.268 77.2 136.5 -96.0 10.8 18.5 45.7 30.1 57 72 A D T < S+ 0 0 106 -3,-1.6 -3,-0.1 1,-0.3 48,-0.0 -0.319 79.5 10.6 -50.6 128.2 16.4 43.6 32.5 58 73 A G T > S+ 0 0 36 1,-0.1 3,-0.8 3,-0.0 4,-0.4 0.330 91.2 116.6 82.8 -12.8 17.8 40.1 32.4 59 74 A V G X S+ 0 0 7 -3,-2.0 3,-1.9 1,-0.2 4,-0.3 0.909 72.8 56.8 -54.2 -44.7 20.9 40.9 30.5 60 75 A A G > S+ 0 0 18 -4,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.768 97.1 64.2 -61.1 -27.4 23.2 39.9 33.4 61 76 A D G X S+ 0 0 122 -3,-0.8 3,-1.3 1,-0.2 -1,-0.3 0.644 79.1 83.9 -74.0 -11.6 21.6 36.4 33.4 62 77 A A G < S+ 0 0 28 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.762 80.0 65.4 -58.8 -25.7 23.0 35.8 29.9 63 78 A A G < S- 0 0 6 -3,-1.1 -1,-0.3 -4,-0.3 5,-0.2 0.780 86.7-170.2 -69.7 -26.1 26.3 34.7 31.5 64 79 A G < - 0 0 40 -3,-1.3 2,-0.2 -4,-0.2 -1,-0.2 -0.306 40.3 -35.3 66.0-155.2 24.6 31.7 33.2 65 80 A A S > S- 0 0 56 1,-0.1 3,-2.3 -4,-0.0 9,-0.0 -0.565 76.6 -79.5 -94.0 160.6 26.6 29.8 35.8 66 81 A T T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 -0.331 122.1 34.9 -52.2 139.1 30.3 29.1 35.9 67 82 A G T 3 S+ 0 0 66 2,-0.6 2,-2.2 1,-0.1 -1,-0.3 0.165 79.9 116.1 93.6 -18.6 31.0 26.2 33.5 68 83 A D S < S- 0 0 82 -3,-2.3 -1,-0.1 -5,-0.2 2,-0.1 -0.458 102.4 -35.8 -76.3 64.9 28.2 27.3 31.1 69 84 A G S S- 0 0 34 -2,-2.2 -2,-0.6 4,-0.1 -1,-0.1 -0.161 92.7 -69.6 91.8 161.0 31.0 27.8 28.5 70 85 A D > - 0 0 79 -2,-0.1 4,-2.5 -4,-0.1 5,-0.2 -0.189 60.4 -86.0 -75.9 179.1 34.5 29.1 29.3 71 86 A W H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.834 129.0 52.6 -59.4 -36.1 35.1 32.7 30.5 72 87 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 110.5 47.2 -70.3 -40.1 35.3 34.0 26.8 73 88 A E H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 114.2 46.8 -64.8 -42.0 32.0 32.4 25.9 74 89 A R H X S+ 0 0 23 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.905 112.8 49.0 -68.8 -38.0 30.3 33.8 28.9 75 90 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.926 111.4 50.7 -63.5 -44.1 31.7 37.2 28.4 76 91 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.888 107.4 53.5 -60.2 -42.3 30.6 37.0 24.7 77 92 A R H X S+ 0 0 68 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 108.2 50.5 -62.3 -38.8 27.0 36.0 25.8 78 93 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.916 112.7 45.2 -62.0 -47.7 26.8 39.1 28.1 79 94 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.927 114.5 49.1 -63.6 -45.3 28.0 41.5 25.3 80 95 A R H X S+ 0 0 77 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.886 110.4 50.4 -59.1 -41.6 25.6 39.8 22.8 81 96 A A H X S+ 0 0 22 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.884 109.5 51.2 -67.6 -36.8 22.7 40.1 25.2 82 97 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.955 111.9 46.9 -63.0 -50.0 23.4 43.7 25.8 83 98 A R H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 113.2 49.2 -52.4 -48.2 23.4 44.3 22.0 84 99 A A H X S+ 0 0 57 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.897 108.3 53.2 -62.9 -40.3 20.2 42.4 21.6 85 100 A A H < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 113.2 43.7 -65.2 -36.4 18.5 44.3 24.4 86 101 A L H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 6,-0.5 0.861 111.3 52.9 -77.5 -35.9 19.3 47.6 22.8 87 102 A L H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.695 93.0 75.1 -67.7 -20.1 18.4 46.4 19.3 88 103 A A T 3< S+ 0 0 65 -4,-1.2 2,-0.4 -5,-0.2 -1,-0.2 0.633 98.5 50.4 -68.5 -13.7 15.0 45.3 20.6 89 104 A H S X S- 0 0 32 -3,-1.1 3,-2.4 -4,-0.2 4,-0.3 -0.990 94.5-107.9-130.2 135.3 14.0 49.0 20.7 90 105 A R T 3 S+ 0 0 87 -2,-0.4 -74,-0.1 1,-0.3 -75,-0.1 -0.361 109.4 2.5 -56.1 132.4 14.2 51.7 18.1 91 106 A D T 3> S+ 0 0 12 1,-0.1 4,-1.8 -74,-0.1 -1,-0.3 0.719 90.7 145.3 56.1 24.9 17.0 54.1 19.1 92 107 A G H <> + 0 0 0 -3,-2.4 4,-2.6 -6,-0.5 5,-0.2 0.878 65.0 52.9 -61.7 -41.4 17.6 51.8 22.1 93 108 A A H > S+ 0 0 0 -4,-0.3 4,-3.2 -7,-0.3 -1,-0.2 0.888 107.6 52.5 -62.2 -38.1 21.4 52.4 22.1 94 109 A R H > S+ 0 0 97 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.903 110.7 47.8 -61.6 -42.5 20.9 56.2 22.2 95 110 A V H < S+ 0 0 4 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.939 116.7 42.2 -64.5 -48.1 18.6 55.8 25.1 96 111 A F H >< S+ 0 0 24 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.943 113.8 51.5 -62.9 -47.8 21.1 53.6 27.0 97 112 A A H 3< S+ 0 0 55 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.856 111.9 47.6 -59.8 -37.9 24.2 55.6 26.1 98 113 A G T 3< S+ 0 0 46 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.259 82.8 135.0 -87.4 12.7 22.6 58.8 27.3 99 114 A T < - 0 0 43 -3,-1.6 -53,-0.1 1,-0.1 -3,-0.1 -0.261 43.8-154.2 -72.3 150.6 21.3 57.5 30.7 100 115 A H S S+ 0 0 127 -55,-0.4 2,-0.3 -54,-0.0 -1,-0.1 0.240 73.1 38.8-114.0 12.9 21.8 59.6 34.0 101 116 A A S S- 0 0 53 -52,-0.1 2,-0.6 -55,-0.0 -2,-0.0 -0.946 72.4-129.2-146.0 162.2 21.7 56.9 36.6 102 117 A T - 0 0 92 -2,-0.3 -53,-0.0 4,-0.0 -2,-0.0 -0.937 35.2-163.9-114.2 103.7 23.2 53.4 36.9 103 118 A G > - 0 0 15 -2,-0.6 4,-2.9 -54,-0.2 3,-0.4 -0.238 35.1 -91.4 -83.3 176.5 20.3 51.1 38.0 104 119 A P H > S+ 0 0 75 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.805 122.3 55.6 -54.5 -40.5 20.4 47.6 39.4 105 120 A N H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -45,-0.3 0.894 113.4 40.8 -63.6 -41.2 20.0 45.9 36.0 106 121 A T H > S+ 0 0 27 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.904 114.7 52.1 -73.7 -43.6 23.1 47.7 34.6 107 122 A L H X S+ 0 0 97 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.904 109.3 50.0 -57.8 -43.3 25.0 47.2 37.9 108 123 A R H X S+ 0 0 130 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.903 111.6 49.1 -62.5 -40.7 24.2 43.4 37.8 109 124 A F H X S+ 0 0 9 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.947 115.3 43.6 -60.6 -48.8 25.4 43.3 34.2 110 125 A A H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.917 116.1 46.0 -67.0 -47.8 28.7 45.2 35.0 111 126 A D H X S+ 0 0 125 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.903 113.2 51.2 -60.1 -41.8 29.3 43.2 38.2 112 127 A G H X S+ 0 0 25 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.926 111.5 46.6 -63.7 -46.7 28.6 39.9 36.4 113 128 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.939 114.6 45.5 -62.2 -50.1 31.0 40.7 33.5 114 129 A V H X S+ 0 0 28 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.908 113.0 53.3 -58.6 -42.1 33.8 41.9 35.8 115 130 A G H X S+ 0 0 16 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.890 103.5 55.0 -60.1 -43.2 33.2 38.7 38.0 116 131 A V H X S+ 0 0 6 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.944 113.8 42.1 -56.1 -47.0 33.4 36.4 35.0 117 132 A L H ><>S+ 0 0 0 -4,-1.7 5,-2.5 2,-0.2 3,-0.8 0.936 114.4 48.8 -68.4 -48.6 36.9 37.8 34.2 118 133 A R H ><5S+ 0 0 135 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.924 111.5 50.5 -57.0 -44.8 38.2 37.9 37.8 119 134 A E H 3<5S+ 0 0 145 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.681 106.8 56.5 -69.2 -14.8 37.1 34.3 38.4 120 135 A A T <<5S- 0 0 25 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.335 132.1 -87.8 -97.4 3.4 38.9 33.3 35.3 121 136 A G T < 5S+ 0 0 57 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.508 79.8 139.8 106.3 7.1 42.2 34.7 36.5 122 137 A F < - 0 0 9 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.663 52.0-119.6 -79.4 139.6 42.1 38.3 35.3 123 138 A G > - 0 0 42 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.266 31.6 -99.2 -70.2 163.8 43.5 40.8 37.8 124 139 A D H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.867 120.8 48.3 -51.3 -51.3 41.3 43.7 39.1 125 140 A G H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 113.6 45.7 -61.0 -47.2 42.6 46.3 36.7 126 141 A D H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 114.1 48.9 -61.8 -43.9 42.3 44.1 33.6 127 142 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.914 114.8 43.4 -65.2 -45.9 38.8 42.9 34.5 128 143 A A H X S+ 0 0 42 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.922 115.5 48.0 -66.7 -43.1 37.4 46.4 35.2 129 144 A R H X S+ 0 0 151 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.877 108.5 55.7 -64.4 -35.0 39.1 47.9 32.2 130 145 A A H X S+ 0 0 6 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.873 100.6 59.2 -64.1 -37.2 37.7 45.1 30.1 131 146 A L H X S+ 0 0 26 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.955 109.5 43.2 -55.0 -50.0 34.2 45.9 31.3 132 147 A Y H X S+ 0 0 149 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.900 114.0 50.6 -64.3 -40.8 34.6 49.4 29.8 133 148 A S H X S+ 0 0 65 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.948 116.2 40.4 -63.7 -47.4 36.2 48.1 26.5 134 149 A V H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.927 119.4 44.9 -68.4 -45.6 33.4 45.5 25.9 135 150 A A H X S+ 0 0 16 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.919 115.4 47.0 -65.7 -45.0 30.6 47.8 27.0 136 151 A N H X S+ 0 0 106 -4,-2.9 4,-2.5 -5,-0.3 5,-0.2 0.888 113.8 47.5 -68.7 -37.6 31.8 50.8 25.0 137 152 A F H X S+ 0 0 62 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.942 113.3 49.1 -62.9 -46.1 32.5 48.8 21.9 138 153 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.928 114.8 43.7 -60.2 -46.7 29.0 47.2 22.2 139 154 A V H X S+ 0 0 18 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.939 115.3 48.3 -63.4 -48.4 27.3 50.5 22.7 140 155 A G H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 114.2 47.2 -58.1 -45.4 29.3 52.2 19.9 141 156 A H H X S+ 0 0 26 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.927 114.5 45.4 -61.6 -46.2 28.6 49.3 17.5 142 157 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.899 110.1 54.6 -70.8 -38.6 24.9 49.2 18.3 143 158 A L H X S+ 0 0 52 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.934 113.0 43.0 -54.9 -48.2 24.5 53.0 18.0 144 159 A E H X S+ 0 0 95 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.874 112.1 52.9 -71.9 -34.9 26.0 52.9 14.6 145 160 A E H X S+ 0 0 16 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.939 112.8 45.3 -61.3 -46.0 24.0 49.9 13.5 146 161 A Q H X S+ 0 0 18 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.875 108.5 55.8 -68.3 -36.2 20.8 51.6 14.6 147 162 A A H < S+ 0 0 25 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.870 108.7 49.5 -58.1 -38.8 21.8 54.9 12.9 148 163 A A H < S+ 0 0 13 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.804 109.9 49.5 -71.1 -33.3 22.2 52.9 9.6 149 164 A L H < S+ 0 0 107 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.537 85.9 107.8 -86.5 -9.7 18.8 51.2 9.9 150 165 A T S >< S- 0 0 48 -4,-0.9 3,-3.6 -3,-0.3 -3,-0.0 -0.489 94.6 -84.9 -65.6 135.0 17.0 54.5 10.6 151 166 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.224 122.0 17.0 -43.4 118.3 14.9 55.6 7.5 152 167 A G T 3 S- 0 0 92 -4,-0.1 2,-0.1 -3,-0.1 -3,-0.1 0.176 113.5-112.0 97.0 -15.4 17.5 57.4 5.3 153 168 A G < - 0 0 26 -3,-3.6 2,-0.2 -7,-0.1 -5,-0.2 -0.391 39.5-175.8 87.1-167.1 20.5 56.0 7.0 154 169 A G + 0 0 28 1,-0.2 7,-0.1 -2,-0.1 3,-0.1 -0.800 30.3 97.7 149.0 169.9 23.1 57.8 9.2 155 170 A G S > S- 0 0 32 -2,-0.2 3,-1.2 1,-0.1 -1,-0.2 0.119 77.5 -91.2 93.5 147.3 26.4 57.3 11.0 156 171 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 0.740 124.5 37.1 -66.8 -24.2 29.8 58.2 9.6 157 172 A L T 3 S+ 0 0 139 -3,-0.1 -2,-0.1 4,-0.0 2,-0.1 -0.123 78.9 164.4-120.8 34.1 30.5 54.8 8.1 158 173 A D <> - 0 0 10 -3,-1.2 4,-2.6 1,-0.1 5,-0.2 -0.348 40.9-129.7 -56.7 123.2 27.0 54.0 6.9 159 174 A E H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.882 104.4 41.5 -35.3 -62.0 27.2 51.0 4.4 160 175 A A H > S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.906 112.9 54.1 -63.0 -43.5 25.1 52.6 1.7 161 176 A T H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.915 105.8 53.8 -57.4 -48.1 26.7 56.1 2.1 162 177 A L H X S+ 0 0 22 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.934 102.1 59.1 -48.3 -55.0 30.2 54.6 1.6 163 178 A R H < S+ 0 0 121 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.3 42.4 -44.7 -47.6 29.3 52.9 -1.7 164 179 A E H < S+ 0 0 148 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.836 114.1 48.9 -79.2 -33.1 28.3 56.1 -3.5 165 180 A A H < S+ 0 0 72 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.758 99.7 89.5 -74.9 -22.3 31.2 58.3 -2.3 166 181 A V < + 0 0 23 -4,-1.7 2,-0.3 -5,-0.2 3,-0.0 -0.453 41.9 164.7 -88.1 143.0 33.8 55.6 -3.1 167 182 A A >> - 0 0 49 -2,-0.2 4,-2.8 1,-0.0 3,-0.9 -0.939 43.4-124.8-138.0 155.8 35.8 54.9 -6.3 168 183 A A T 34 S+ 0 0 73 -2,-0.3 8,-0.1 1,-0.2 7,-0.1 0.790 113.3 61.4 -66.8 -26.9 38.9 52.7 -6.7 169 184 A G T 34 S+ 0 0 75 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.630 120.2 19.4 -73.5 -18.8 40.5 55.8 -8.1 170 185 A T T <4 S+ 0 0 91 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.1 0.705 138.8 22.1-122.7 -38.8 40.1 57.9 -4.9 171 186 A Y X + 0 0 133 -4,-2.8 4,-2.8 1,-0.1 5,-0.2 -0.660 69.7 168.4-128.0 73.7 39.5 55.5 -1.9 172 187 A P H > S+ 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.798 73.3 51.8 -64.5 -32.6 41.0 52.3 -3.2 173 188 A H H > S+ 0 0 156 2,-0.2 4,-1.5 1,-0.2 -5,-0.1 0.897 114.2 44.3 -73.3 -35.8 41.0 50.4 0.1 174 189 A L H > S+ 0 0 62 2,-0.2 4,-0.6 1,-0.2 7,-0.2 0.898 113.9 51.0 -67.8 -39.8 37.4 51.2 0.6 175 190 A A H >< S+ 0 0 25 -4,-2.8 3,-1.1 -8,-0.3 -2,-0.2 0.943 110.7 48.9 -60.1 -47.4 36.7 50.3 -3.0 176 191 A A H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.820 118.5 38.4 -63.6 -33.1 38.5 47.0 -2.7 177 192 A T H >X S+ 0 0 64 -4,-1.5 4,-2.0 1,-0.2 3,-1.2 0.306 79.8 119.4-103.7 8.4 36.6 46.0 0.5 178 193 A L H + 0 0 80 1,-0.2 4,-1.7 -5,-0.2 5,-0.1 -0.499 31.2 156.8 -85.9 69.6 25.5 41.7 8.2 186 201 A F H > S+ 0 0 24 -2,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.836 70.5 59.9 -61.1 -35.1 25.8 43.8 11.4 187 202 A T H > S+ 0 0 71 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.924 104.5 48.6 -60.1 -47.6 25.8 40.6 13.5 188 203 A A H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 111.4 50.6 -57.8 -42.5 29.0 39.3 11.7 189 204 A H H X S+ 0 0 67 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.934 111.5 48.4 -61.3 -44.9 30.6 42.7 12.3 190 205 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.930 110.5 49.8 -60.6 -48.6 29.7 42.6 16.0 191 206 A E H X S+ 0 0 60 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.866 109.5 52.9 -59.4 -38.2 31.0 39.1 16.4 192 207 A F H X S+ 0 0 108 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.923 111.3 45.0 -63.6 -47.7 34.3 40.0 14.7 193 208 A G H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.904 113.5 50.2 -64.7 -40.1 34.9 43.0 17.0 194 209 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.907 109.0 52.2 -62.6 -43.3 33.9 40.9 20.0 195 210 A R H X S+ 0 0 147 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.909 107.5 52.3 -57.9 -45.6 36.4 38.2 18.9 196 211 A L H X S+ 0 0 94 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 111.6 46.4 -54.7 -50.4 39.2 40.8 18.6 197 212 A L H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 114.6 46.6 -59.4 -45.1 38.5 41.9 22.2 198 213 A L H X S+ 0 0 11 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.886 112.5 49.0 -69.6 -40.1 38.4 38.4 23.6 199 214 A D H X S+ 0 0 72 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.894 111.5 51.2 -60.8 -42.6 41.6 37.4 21.7 200 215 A G H X S+ 0 0 34 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.913 109.5 49.4 -60.8 -44.9 43.2 40.5 23.1 201 216 A L H X S+ 0 0 19 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.899 107.9 54.0 -61.1 -39.7 42.0 39.5 26.6 202 217 A R H < S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 109.1 50.2 -58.1 -42.1 43.5 36.0 26.0 203 218 A A H < S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 114.8 41.2 -65.4 -39.4 46.8 37.7 25.2 204 219 A V H < 0 0 85 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.682 360.0 360.0 -84.2 -16.5 46.8 39.9 28.3 205 220 A R < 0 0 145 -4,-1.9 -1,-0.1 -5,-0.2 -83,-0.1 -0.139 360.0 360.0 -53.9 360.0 45.6 37.2 30.8