==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 22-DEC-08 3FMS . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, GNTR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA MSB8; . AUTHOR M.ZHENG,D.R.COOPER,M.YU,L-W.HUNG,U.DEREWENDA,Z.S.DEREWENDA, . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 83.3 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 . 7 3.3 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 . 1 0.5 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 . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 0 1 2 0 0 0 0 1 0 3 1 0 0 0 1 1 0 0 0 0 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 . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A V > 0 0 107 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -62.6 10.9 61.5 0.4 2 7 A D H > + 0 0 100 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.632 360.0 64.0 -54.9 -17.9 11.5 57.9 1.5 3 8 A L H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.972 104.8 37.1 -80.7 -54.6 14.6 59.7 2.8 4 9 A V H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.880 116.2 54.4 -61.4 -39.3 12.8 62.0 5.3 5 10 A R H X S+ 0 0 31 -4,-2.2 4,-3.5 1,-0.2 5,-0.2 0.912 107.3 52.0 -66.5 -39.5 10.3 59.3 6.2 6 11 A T H X S+ 0 0 52 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.896 110.9 45.1 -68.0 -38.8 13.1 57.0 7.0 7 12 A K H X S+ 0 0 125 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.945 116.2 47.5 -65.5 -43.1 14.9 59.5 9.3 8 13 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.970 115.7 45.6 -62.0 -48.3 11.6 60.3 11.0 9 14 A Y H X S+ 0 0 7 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.900 110.5 52.2 -59.4 -47.9 10.9 56.6 11.3 10 15 A N H X S+ 0 0 76 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.909 110.3 48.9 -58.8 -40.6 14.3 55.7 12.6 11 16 A L H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.938 110.9 50.4 -64.8 -44.5 14.0 58.4 15.3 12 17 A L H X S+ 0 0 10 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.911 112.2 47.0 -61.0 -42.9 10.6 57.2 16.3 13 18 A K H X S+ 0 0 36 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.909 109.4 53.9 -61.2 -47.6 11.9 53.6 16.6 14 19 A E H X S+ 0 0 111 -4,-2.5 4,-1.5 -5,-0.2 6,-0.2 0.889 111.6 44.7 -56.5 -38.2 14.9 54.5 18.5 15 20 A X H <>S+ 0 0 8 -4,-2.1 6,-2.1 2,-0.2 5,-1.8 0.800 112.1 51.0 -82.7 -25.6 12.8 56.3 21.1 16 21 A I H ><5S+ 0 0 7 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.963 112.0 46.9 -69.5 -45.8 10.3 53.6 21.4 17 22 A L H 3<5S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.766 113.1 49.7 -67.2 -29.5 13.0 51.0 21.9 18 23 A N T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.356 114.1-120.7 -81.1 -3.0 14.7 53.3 24.5 19 24 A H T < 5S+ 0 0 81 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.726 80.8 122.5 65.2 20.5 11.3 53.7 26.2 20 25 A E S - 0 0 78 -2,-0.5 3,-1.7 4,-0.1 2,-0.3 -0.463 30.1 -97.8 -81.7 156.6 5.2 55.3 24.9 23 28 A L T 3 S+ 0 0 2 184,-2.2 186,-0.3 1,-0.3 45,-0.3 -0.599 116.3 21.5 -69.7 130.0 2.9 53.3 22.6 24 29 A G T 3 S+ 0 0 18 42,-0.9 -1,-0.3 43,-0.8 44,-0.2 0.298 92.6 146.1 91.2 -11.2 -0.1 55.7 22.0 25 30 A E < - 0 0 59 -3,-1.7 41,-2.9 42,-0.2 -1,-0.3 -0.335 53.7-111.8 -70.7 140.5 1.9 58.8 22.9 26 31 A K B -A 65 0A 107 39,-0.3 39,-0.3 -3,-0.1 2,-0.3 -0.493 32.1-130.4 -71.6 135.1 1.2 62.0 21.2 27 32 A L - 0 0 6 37,-3.2 2,-0.7 -2,-0.2 37,-0.5 -0.631 6.0-146.1 -87.6 142.9 4.0 63.2 19.0 28 33 A N > - 0 0 87 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 -0.935 6.7-161.6-110.5 109.4 5.4 66.7 19.1 29 34 A V H > S+ 0 0 20 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.869 88.9 55.4 -62.6 -39.5 6.3 67.6 15.6 30 35 A R H > S+ 0 0 147 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 106.4 52.1 -59.3 -40.1 8.6 70.5 16.8 31 36 A E H > S+ 0 0 67 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.953 110.0 47.5 -60.6 -48.4 10.5 68.0 18.9 32 37 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 6,-0.3 0.892 112.3 50.4 -62.4 -39.1 11.0 65.7 16.0 33 38 A S H X>S+ 0 0 16 -4,-2.4 4,-1.5 2,-0.2 5,-1.0 0.888 110.6 48.9 -66.1 -38.4 12.1 68.6 13.9 34 39 A E H <5S+ 0 0 140 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.914 113.4 47.7 -66.4 -44.2 14.7 69.8 16.6 35 40 A K H <5S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 121.8 33.4 -67.5 -39.0 16.1 66.4 16.9 36 41 A L H <5S- 0 0 46 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.569 97.8-126.0 -95.8 -11.1 16.4 65.7 13.2 37 42 A G T <5 + 0 0 71 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.824 68.3 129.0 59.1 32.7 17.2 69.2 11.9 38 43 A I < - 0 0 29 -5,-1.0 -1,-0.2 -6,-0.3 -2,-0.2 -0.976 60.6-109.6-116.8 132.7 14.4 68.9 9.5 39 44 A S > - 0 0 84 -2,-0.4 4,-1.6 -3,-0.1 5,-0.2 -0.025 31.8-103.3 -44.7 160.2 11.7 71.5 9.0 40 45 A F H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.867 111.3 52.1 -59.4 -49.8 8.0 71.1 10.1 41 46 A T H > S+ 0 0 84 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.933 109.3 47.2 -64.1 -49.8 6.3 70.4 6.8 42 47 A P H > S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 114.0 49.1 -55.4 -42.0 8.6 67.6 5.7 43 48 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.953 110.7 50.6 -60.4 -46.2 8.3 65.9 9.1 44 49 A R H X S+ 0 0 99 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.941 110.4 50.0 -56.1 -46.3 4.5 66.3 9.0 45 50 A D H X S+ 0 0 84 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.874 109.9 50.7 -65.7 -33.3 4.5 64.8 5.5 46 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.3 0.907 108.4 51.4 -70.3 -39.8 6.6 61.9 6.8 47 52 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.944 106.1 54.7 -64.1 -41.1 4.3 61.3 9.7 48 53 A L H X S+ 0 0 77 -4,-2.7 4,-1.6 1,-0.2 3,-0.2 0.952 109.1 49.8 -56.2 -44.7 1.3 61.2 7.3 49 54 A Q H X S+ 0 0 57 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.894 109.1 49.9 -58.4 -41.7 3.2 58.5 5.3 50 55 A L H >X>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 4,-0.7 0.819 103.9 59.6 -71.7 -25.0 3.8 56.5 8.4 51 56 A A H ><5S+ 0 0 27 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.884 97.4 62.7 -66.4 -36.4 0.2 56.8 9.3 52 57 A T H 3<5S+ 0 0 105 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.736 104.6 45.0 -55.3 -32.3 -0.4 55.0 6.0 53 58 A E H <<5S- 0 0 14 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.528 121.1-109.3 -92.6 -5.8 1.5 52.0 7.3 54 59 A G T <<5S+ 0 0 25 -4,-0.7 -3,-0.2 -3,-0.7 -2,-0.1 0.641 90.1 113.2 92.3 16.2 -0.4 52.2 10.6 55 60 A L S > -B 63 0A 59 4,-3.2 3,-3.0 -2,-0.5 4,-2.6 -0.919 30.1-127.4-114.2 103.6 -6.3 62.9 14.7 60 65 A P T 34 S+ 0 0 90 0, 0.0 4,-0.0 0, 0.0 -2,-0.0 -0.142 89.9 4.4 -62.7 141.7 -7.2 65.8 12.5 61 66 A R T 34 S+ 0 0 260 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.427 131.1 65.9 63.7 2.2 -7.0 69.2 14.0 62 67 A V T <4 S- 0 0 83 -3,-3.0 2,-0.3 1,-0.3 -1,-0.1 0.791 98.1-108.6-114.2 -54.7 -5.6 67.4 17.1 63 68 A G E < - B 0 59A 17 -4,-2.6 -4,-3.2 -35,-0.0 2,-0.4 -0.961 31.9 -59.9 154.0-167.6 -2.2 65.8 16.2 64 69 A F E - B 0 58A 25 -37,-0.5 -37,-3.2 -2,-0.3 2,-0.3 -0.900 41.3-169.9-118.1 142.4 -0.3 62.7 15.6 65 70 A F E -AB 26 57A 55 -8,-2.2 -8,-2.3 -2,-0.4 2,-0.4 -0.920 29.9-107.6-131.1 150.2 0.2 59.8 18.0 66 71 A V E - B 0 56A 5 -41,-2.9 -42,-0.9 -2,-0.3 -10,-0.2 -0.703 52.3-100.6 -71.7 130.6 2.3 56.7 18.1 67 72 A T - 0 0 11 -12,-2.3 2,-1.5 -2,-0.4 -43,-0.8 -0.168 24.0-121.7 -50.7 145.8 0.1 53.7 17.4 68 73 A D - 0 0 60 -45,-0.3 5,-0.1 -44,-0.2 -1,-0.1 -0.595 36.5-153.5 -92.1 69.0 -0.9 51.7 20.5 69 74 A V + 0 0 2 -2,-1.5 2,-0.2 -14,-0.1 -46,-0.1 -0.285 24.2 169.0 -55.1 119.6 0.7 48.6 19.1 70 75 A D > - 0 0 60 -2,-0.1 4,-2.1 0, 0.0 3,-0.2 -0.536 50.6 -79.0-130.3-174.0 -1.1 45.6 20.6 71 76 A E H > S+ 0 0 94 1,-0.3 4,-3.5 138,-0.2 5,-0.2 0.913 127.2 52.9 -65.5 -38.9 -1.3 41.9 20.0 72 77 A K H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.860 106.7 52.9 -64.7 -37.5 -3.6 42.2 17.0 73 78 A F H > S+ 0 0 16 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 114.2 43.2 -66.1 -41.0 -1.2 44.7 15.4 74 79 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.958 114.1 48.6 -63.8 -54.9 1.6 42.2 15.8 75 80 A R H X S+ 0 0 106 -4,-3.5 4,-2.9 1,-0.2 5,-0.3 0.925 112.5 49.3 -53.4 -48.6 -0.3 39.1 14.8 76 81 A E H X S+ 0 0 81 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.849 110.1 51.9 -62.1 -37.7 -1.6 40.9 11.7 77 82 A T H X S+ 0 0 6 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.933 114.7 42.0 -59.5 -49.3 1.9 42.0 10.8 78 83 A I H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 112.8 51.0 -70.7 -42.1 3.2 38.5 11.1 79 84 A E H X S+ 0 0 137 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.891 108.4 53.9 -65.1 -33.5 0.4 36.8 9.3 80 85 A T H X S+ 0 0 48 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.922 109.8 48.1 -65.0 -37.3 0.7 39.3 6.4 81 86 A R H X>S+ 0 0 7 -4,-1.7 4,-3.3 2,-0.2 5,-0.5 0.899 108.2 54.5 -70.5 -39.9 4.4 38.3 6.2 82 87 A I H X>S+ 0 0 25 -4,-2.4 4,-2.0 1,-0.2 5,-0.5 0.959 108.6 49.1 -59.3 -49.9 3.6 34.6 6.3 83 88 A X H X5S+ 0 0 128 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.924 120.2 35.2 -53.8 -46.5 1.3 35.0 3.4 84 89 A X H X5S+ 0 0 20 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.942 120.8 43.0 -79.8 -46.1 3.7 37.0 1.2 85 90 A E H X5S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.886 115.5 48.1 -70.3 -39.0 7.0 35.4 2.1 86 91 A V H X S+ 0 0 10 -3,-0.4 4,-2.8 -4,-0.3 5,-0.2 0.881 70.0 47.8 -54.3 -51.9 12.3 28.5 -4.7 94 99 A D H > S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.857 111.5 51.8 -57.6 -37.3 15.0 27.6 -7.4 95 100 A K H 4 S+ 0 0 120 -3,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.926 112.5 44.6 -71.1 -39.5 15.7 31.2 -7.9 96 101 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 6,-0.3 0.968 112.0 52.3 -67.4 -50.2 16.2 31.8 -4.2 97 102 A A H 3< S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 111.2 49.3 -56.8 -30.4 18.3 28.6 -3.7 98 103 A G T 3< S+ 0 0 65 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.374 84.1 110.7 -95.0 3.9 20.6 29.6 -6.5 99 104 A S <> - 0 0 28 -3,-1.9 4,-0.7 -4,-0.2 3,-0.4 -0.629 61.8-145.1 -90.3 140.3 21.4 33.1 -5.6 100 105 A E H >> S+ 0 0 149 -2,-0.3 4,-1.5 1,-0.2 3,-1.1 0.844 98.0 69.0 -64.3 -31.5 24.8 34.1 -4.4 101 106 A E H 3> S+ 0 0 38 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.923 91.3 59.0 -55.4 -45.1 23.2 36.6 -2.0 102 107 A L H 3> S+ 0 0 0 -3,-0.4 4,-1.9 -6,-0.3 -1,-0.3 0.831 104.0 52.9 -52.7 -35.4 21.8 33.7 0.1 103 108 A L H X S+ 0 0 99 -4,-1.5 4,-3.2 1,-0.2 3,-0.5 0.906 107.9 48.5 -68.8 -37.8 29.0 35.6 12.5 112 117 A V H 3X S+ 0 0 1 -4,-2.0 4,-1.7 -3,-0.4 -2,-0.2 0.879 103.8 59.2 -69.2 -39.2 26.0 36.3 14.7 113 118 A A H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.758 119.1 32.0 -61.6 -20.6 26.0 32.8 16.0 114 119 A A H << S+ 0 0 91 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.788 135.1 23.2-102.8 -41.5 29.5 33.5 17.2 115 120 A S H < S- 0 0 71 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.762 78.5-146.7-101.0 -35.1 29.4 37.3 18.0 116 121 A A < + 0 0 37 -4,-1.7 2,-0.6 -5,-0.4 -4,-0.1 0.826 32.4 169.4 64.9 34.7 25.7 38.1 18.7 117 122 A A >> - 0 0 37 -6,-0.2 4,-1.6 1,-0.2 3,-0.5 -0.716 29.0-149.2 -82.2 119.2 26.1 41.6 17.2 118 123 A R H 3> S+ 0 0 45 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.771 91.5 56.5 -63.0 -28.4 22.6 43.0 16.8 119 124 A E H 3> S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 107.3 47.6 -76.4 -37.3 23.5 45.1 13.7 120 125 A I H <> S+ 0 0 60 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.818 111.9 52.5 -69.5 -32.3 24.7 42.2 11.8 121 126 A F H X S+ 0 0 7 -4,-1.6 4,-3.3 2,-0.2 5,-0.3 0.972 110.4 46.9 -66.3 -49.6 21.6 40.3 12.8 122 127 A D H X S+ 0 0 26 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.906 114.1 47.3 -60.6 -44.8 19.3 43.1 11.6 123 128 A D H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.956 117.1 41.9 -61.7 -52.3 21.2 43.4 8.3 124 129 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 113.6 53.6 -63.3 -40.3 21.1 39.6 7.7 125 130 A D H X S+ 0 0 10 -4,-3.3 4,-1.9 -5,-0.2 5,-0.3 0.914 111.7 45.0 -55.7 -48.7 17.5 39.3 8.9 126 131 A E H X S+ 0 0 56 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.909 112.6 51.1 -65.6 -42.5 16.3 42.0 6.5 127 132 A R H X S+ 0 0 59 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.899 110.3 47.8 -67.2 -37.9 18.3 40.6 3.6 128 133 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.908 115.5 42.1 -69.8 -48.8 17.0 37.1 3.9 129 134 A H H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 3,-0.2 0.932 116.8 48.7 -67.9 -42.4 13.3 37.9 4.2 130 135 A K H X S+ 0 0 22 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.833 103.0 62.7 -64.7 -34.9 13.5 40.5 1.5 131 136 A L H X S+ 0 0 9 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.918 100.8 53.0 -53.6 -45.8 15.4 38.1 -0.8 132 137 A F H < S+ 0 0 0 -4,-1.3 4,-0.5 -3,-0.2 -2,-0.2 0.961 114.5 41.3 -54.3 -50.0 12.3 35.8 -0.8 133 138 A I H >< S+ 0 0 2 -4,-1.3 3,-1.9 1,-0.2 5,-0.4 0.953 114.8 50.3 -61.5 -47.9 10.1 38.8 -1.8 134 139 A R H >< S+ 0 0 120 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.798 98.4 67.8 -69.1 -27.7 12.6 40.2 -4.4 135 140 A A T 3< S+ 0 0 9 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.716 85.6 70.8 -71.3 -17.6 13.0 36.8 -6.0 136 141 A S T < S- 0 0 7 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.776 88.6-147.5 -58.5 -30.8 9.4 36.9 -7.3 137 142 A G < + 0 0 47 -3,-1.5 2,-0.8 -4,-0.4 -2,-0.1 0.633 54.5 134.1 64.4 14.7 10.4 39.6 -9.7 138 143 A N > - 0 0 62 -5,-0.4 4,-2.7 1,-0.2 -1,-0.2 -0.822 42.9-164.2-104.0 106.1 6.8 40.9 -9.2 139 144 A E H > S+ 0 0 168 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.763 87.0 55.4 -68.8 -22.5 7.1 44.6 -8.7 140 145 A L H > S+ 0 0 116 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.948 112.3 43.9 -71.0 -50.7 3.6 45.0 -7.2 141 146 A I H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.924 113.8 49.4 -55.2 -49.9 4.4 42.4 -4.6 142 147 A I H X S+ 0 0 44 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.886 112.2 48.7 -62.6 -38.1 7.8 43.9 -3.9 143 148 A S H X S+ 0 0 49 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.853 107.3 55.4 -73.7 -28.9 6.2 47.3 -3.5 144 149 A L H X S+ 0 0 76 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.969 111.5 44.0 -65.3 -40.0 3.5 46.1 -1.2 145 150 A Y H >< S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.900 113.4 50.7 -70.9 -44.9 6.2 44.6 1.1 146 151 A E H >< S+ 0 0 91 -4,-2.2 3,-1.5 1,-0.2 4,-0.5 0.903 104.2 60.1 -56.5 -41.6 8.3 47.8 0.9 147 152 A K H 3< S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.761 115.1 33.0 -58.0 -27.7 5.2 49.8 1.7 148 153 A I T S+ 0 0 18 -3,-1.5 4,-3.3 1,-0.2 5,-0.2 0.895 75.7 54.6 -64.0 -43.1 8.6 47.5 5.7 150 155 A D H > S+ 0 0 9 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.881 110.2 47.6 -57.2 -41.7 8.8 50.2 8.5 151 156 A R H > S+ 0 0 39 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.920 112.8 49.2 -61.4 -49.4 5.9 48.3 10.3 152 157 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 -7,-0.2 -2,-0.2 0.948 111.8 50.1 -55.4 -41.6 7.8 45.0 9.7 153 158 A D H X S+ 0 0 7 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.936 110.4 46.7 -70.5 -40.6 10.9 46.6 11.1 154 159 A L H >X S+ 0 0 8 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.941 113.0 49.4 -66.4 -45.1 9.5 48.0 14.2 155 160 A V H >< S+ 0 0 2 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.933 105.2 59.0 -56.2 -46.9 7.7 44.8 14.9 156 161 A R H >< S+ 0 0 17 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.738 106.7 50.2 -45.2 -42.7 11.0 42.8 14.4 157 162 A H H << S+ 0 0 13 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.545 86.4 81.3 -82.2 -4.0 12.6 44.9 17.1 158 163 A L T << S+ 0 0 1 -3,-1.9 2,-0.3 -4,-0.5 -1,-0.2 0.295 88.0 66.8 -90.2 4.2 9.9 44.4 19.8 159 164 A N < - 0 0 6 -3,-0.6 3,-0.1 -4,-0.1 40,-0.1 -0.914 64.9-154.9-116.1 164.8 11.4 41.0 20.7 160 165 A E + 0 0 110 -2,-0.3 2,-0.6 38,-0.1 3,-0.3 0.300 69.3 92.9-114.9 5.3 14.8 40.3 22.3 161 166 A R > + 0 0 40 1,-0.2 4,-2.1 2,-0.1 3,-0.3 -0.223 39.3 138.0-101.8 50.2 15.5 36.7 21.1 162 167 A Y H > + 0 0 46 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.776 66.4 58.6 -71.2 -29.6 17.5 37.5 18.0 163 168 A V H > S+ 0 0 60 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.929 107.0 47.0 -67.8 -37.2 20.1 34.9 18.6 164 169 A V H > S+ 0 0 75 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.914 112.3 51.3 -64.9 -40.5 17.5 32.2 18.5 165 170 A S H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.888 104.9 57.5 -60.3 -37.3 16.1 33.8 15.4 166 171 A N H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.902 105.9 48.3 -58.9 -40.8 19.5 33.7 14.0 167 172 A R H X S+ 0 0 142 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.912 109.7 52.9 -69.8 -41.4 19.6 29.9 14.5 168 173 A E H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.875 107.5 50.7 -58.9 -41.4 16.2 29.5 12.8 169 174 A H H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.917 108.3 54.8 -59.8 -43.0 17.3 31.5 9.8 170 175 A K H X S+ 0 0 51 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.948 108.5 46.2 -55.4 -52.1 20.4 29.2 9.6 171 176 A E H X S+ 0 0 55 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.906 111.4 54.3 -60.3 -35.4 18.2 26.1 9.6 172 177 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.920 109.0 46.0 -61.1 -54.0 16.0 27.7 6.9 173 178 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.909 110.4 55.2 -58.5 -38.9 18.8 28.5 4.6 174 179 A E H X S+ 0 0 85 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.936 108.6 47.3 -62.2 -45.5 20.1 24.9 5.2 175 180 A R H <>S+ 0 0 69 -4,-2.5 5,-2.1 1,-0.2 -1,-0.2 0.931 112.9 50.5 -58.2 -41.6 16.8 23.4 4.1 176 181 A I H ><5S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.923 108.8 48.9 -65.1 -49.6 16.8 25.7 1.1 177 182 A I H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.4 56.6 -57.9 -33.5 20.3 24.9 -0.1 178 183 A S T 3<5S- 0 0 93 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.416 114.5-117.9 -74.7 -1.4 19.4 21.2 0.3 179 184 A G T < 5 + 0 0 51 -3,-1.7 2,-1.8 1,-0.2 3,-0.2 0.717 66.8 145.1 65.2 19.0 16.4 21.6 -2.1 180 185 A D >< + 0 0 67 -5,-2.1 4,-2.5 1,-0.2 -1,-0.2 -0.592 18.1 170.1 -84.5 79.2 14.1 20.7 0.7 181 186 A K H > S+ 0 0 81 -2,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.888 73.6 45.5 -60.8 -39.0 11.4 23.0 -0.5 182 187 A E H > S+ 0 0 116 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 112.6 50.1 -77.6 -38.9 8.7 21.7 1.8 183 188 A G H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 110.4 51.8 -57.5 -40.3 11.0 21.6 4.8 184 189 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.932 108.6 49.7 -65.0 -46.1 12.0 25.2 4.1 185 190 A I H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.937 112.4 47.1 -61.9 -45.6 8.5 26.4 3.9 186 191 A E H X S+ 0 0 115 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.885 110.8 52.9 -66.0 -38.4 7.5 24.8 7.2 187 192 A K H X S+ 0 0 11 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.3 0.858 107.9 50.1 -64.8 -35.9 10.6 26.2 8.8 188 193 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.932 112.6 47.1 -68.8 -43.8 9.7 29.7 7.6 189 194 A K H X S+ 0 0 77 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.963 114.0 48.7 -58.7 -48.1 6.2 29.4 9.0 190 195 A E H X S+ 0 0 71 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.880 110.5 50.3 -61.2 -43.3 7.6 28.0 12.2 191 196 A H H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.949 113.8 43.6 -61.4 -47.6 10.1 30.8 12.5 192 197 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.890 113.9 49.2 -68.4 -38.5 7.6 33.6 12.0 193 198 A K H X S+ 0 0 111 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.881 112.7 50.2 -69.0 -35.2 5.0 32.0 14.3 194 199 A N H X S+ 0 0 55 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.946 110.5 47.6 -63.5 -53.1 7.8 31.6 16.9 195 200 A V H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.921 111.7 53.2 -50.7 -43.6 8.9 35.2 16.6 196 201 A E H X S+ 0 0 38 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.900 108.0 48.2 -62.9 -46.5 5.2 36.2 16.9 197 202 A A H X S+ 0 0 52 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.876 114.2 47.5 -62.2 -35.7 4.7 34.3 20.1 198 203 A E H X S+ 0 0 73 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.875 110.4 50.5 -77.9 -32.3 7.8 35.8 21.6 199 204 A T H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.887 106.8 54.1 -66.2 -44.2 7.0 39.3 20.6 200 205 A I H >< S+ 0 0 39 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.902 110.8 48.4 -60.0 -43.3 3.5 39.1 22.1 201 206 A K H 3< S+ 0 0 134 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.828 111.3 48.5 -63.8 -35.4 5.1 38.0 25.4 202 207 A N H >< S+ 0 0 33 -4,-1.4 3,-1.8 1,-0.2 -1,-0.2 0.575 89.4 89.3 -78.0 -8.7 7.6 40.8 25.4 203 208 A L G X< S+ 0 0 7 -3,-0.7 3,-2.4 -4,-0.7 -1,-0.2 0.854 72.7 63.9 -70.1 -32.1 5.1 43.4 24.6 204 209 A Y G 3 S+ 0 0 191 -3,-0.4 -1,-0.3 -4,-0.4 4,-0.1 0.589 88.1 73.9 -66.0 -10.7 4.1 44.3 28.2 205 210 A T G < S+ 0 0 47 -3,-1.8 2,-0.5 -4,-0.1 -1,-0.3 0.551 82.8 85.5 -79.6 -6.0 7.7 45.5 28.7 206 211 A Y S < S- 0 0 11 -3,-2.4 2,-0.1 2,-0.2 -184,-0.1 -0.847 95.9-103.8 -99.3 129.9 6.7 48.5 26.6 207 212 A E S S- 0 0 103 -2,-0.5 -184,-2.2 -191,-0.2 2,-0.2 -0.350 88.3 -7.4 -53.2 118.8 5.0 51.5 28.3 208 213 A R 0 0 140 -186,-0.2 -2,-0.2 -4,-0.1 -184,-0.1 -0.501 360.0 360.0 86.5-160.2 1.2 51.4 27.5 209 214 A S 0 0 59 -186,-0.3 -138,-0.2 -2,-0.2 -2,-0.1 0.485 360.0 360.0 59.4 360.0 -0.7 49.0 25.0