==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 15-JUL-11 3SXY . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, GNTR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR G.P.CZELAKOWSKI,Z.S.DEREWENDA,INTEGRATED CENTER FOR STRUCTUR . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 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 . 16 4.0 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 . 2 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 0 0 0 2 0 2 0 4 4 0 0 0 3 0 1 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 . 0 2 0 2 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 2 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 10 A R > 0 0 117 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.4 -36.0 236.3 -15.0 2 11 A T H > + 0 0 90 2,-0.2 4,-3.2 3,-0.2 5,-0.2 0.917 360.0 50.6 -90.1 -42.8 -33.7 238.8 -13.3 3 12 A K H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.923 117.1 42.4 -58.6 -46.9 -35.5 239.0 -10.0 4 13 A V H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.900 111.9 53.3 -69.5 -38.7 -35.4 235.3 -9.8 5 14 A Y H X S+ 0 0 15 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.948 111.8 47.2 -56.5 -47.3 -31.8 235.1 -11.1 6 15 A N H X S+ 0 0 91 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.890 112.7 48.9 -65.0 -39.0 -30.8 237.5 -8.3 7 16 A L H X S+ 0 0 56 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.926 113.0 46.0 -64.5 -46.7 -32.8 235.5 -5.7 8 17 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.900 112.0 51.8 -64.8 -40.3 -31.4 232.1 -6.7 9 18 A K H X S+ 0 0 27 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.934 108.4 51.1 -61.5 -44.2 -27.8 233.5 -6.8 10 19 A E H X S+ 0 0 115 -4,-2.0 4,-2.0 -5,-0.2 6,-0.2 0.919 108.5 52.6 -58.1 -42.8 -28.2 235.0 -3.4 11 20 A M H <>S+ 0 0 6 -4,-2.0 5,-2.5 2,-0.2 6,-2.2 0.860 112.8 44.0 -65.2 -34.6 -29.4 231.6 -2.2 12 21 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.3 3,-0.2 -2,-0.2 0.949 113.6 49.4 -71.3 -49.5 -26.3 229.9 -3.6 13 22 A L H 3<5S+ 0 0 27 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.799 116.2 42.4 -63.6 -29.9 -23.8 232.5 -2.4 14 23 A N T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.417 114.0-119.1 -97.9 3.3 -25.2 232.4 1.2 15 24 A H T < 5S+ 0 0 42 -3,-1.3 -3,-0.2 2,-0.3 3,-0.2 0.797 76.2 129.9 65.9 34.6 -25.5 228.5 1.0 16 25 A E S - 0 0 126 -2,-0.6 3,-2.6 -3,-0.2 44,-0.3 -0.261 24.5 -86.3 -77.2 152.9 -25.8 224.0 -0.5 19 28 A L T 3 S+ 0 0 52 1,-0.3 45,-0.2 -7,-0.1 -1,-0.2 -0.284 117.4 10.0 -50.9 132.4 -22.6 223.4 -2.4 20 29 A G T 3 S+ 0 0 22 43,-1.4 -1,-0.3 1,-0.2 44,-0.1 0.454 93.4 152.4 77.5 -2.9 -23.3 220.4 -4.7 21 30 A E < - 0 0 78 -3,-2.6 41,-2.5 42,-0.2 2,-0.3 -0.381 49.6-114.4 -70.2 138.8 -27.0 220.3 -4.0 22 31 A K E -A 61 0A 93 39,-0.2 2,-0.4 -2,-0.1 39,-0.2 -0.526 30.4-153.2 -66.8 132.5 -29.4 218.9 -6.6 23 32 A L E -A 60 0A 6 37,-2.6 37,-0.6 -2,-0.3 2,-0.5 -0.872 7.7-165.3-112.2 134.1 -31.7 221.6 -7.9 24 33 A N > - 0 0 67 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.984 15.0-146.4-122.0 124.0 -35.2 220.8 -9.3 25 34 A V H > S+ 0 0 17 -2,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.901 98.2 47.0 -56.7 -46.4 -36.9 223.4 -11.3 26 35 A R H > S+ 0 0 167 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 110.1 52.2 -64.2 -41.0 -40.4 222.5 -10.2 27 36 A E H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 112.9 45.9 -57.7 -46.5 -39.5 222.4 -6.5 28 37 A L H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.893 108.2 55.3 -65.5 -44.5 -37.9 225.8 -6.7 29 38 A S H X>S+ 0 0 20 -4,-2.5 5,-1.7 1,-0.2 4,-1.1 0.875 113.2 42.1 -55.3 -40.6 -40.8 227.2 -8.6 30 39 A E H <5S+ 0 0 160 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.885 113.6 52.0 -73.7 -40.4 -43.2 226.1 -5.9 31 40 A K H <5S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 120.7 34.1 -60.6 -36.9 -40.8 227.1 -3.1 32 41 A L H <5S- 0 0 42 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.547 102.3-123.5-100.2 -12.7 -40.5 230.6 -4.5 33 42 A G T <5S+ 0 0 69 -4,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.858 70.4 123.3 70.2 36.8 -43.9 231.2 -6.0 34 43 A I < - 0 0 30 -5,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.958 65.0-100.1-130.0 144.1 -42.5 231.9 -9.4 35 44 A S > - 0 0 77 -2,-0.3 4,-1.1 -3,-0.1 -1,-0.0 -0.142 33.2-107.9 -68.9 168.4 -43.4 230.1 -12.7 36 45 A F H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.879 106.2 59.9 -60.1 -50.9 -41.2 227.4 -14.2 37 46 A T H > S+ 0 0 75 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.900 106.0 43.8 -56.8 -51.4 -39.8 229.2 -17.2 38 47 A P H > S+ 0 0 22 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.824 112.3 54.0 -71.8 -24.3 -38.0 232.0 -15.4 39 48 A V H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.4 -2,-0.2 0.948 112.5 43.9 -60.2 -51.3 -36.6 229.6 -12.8 40 49 A R H X S+ 0 0 65 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.917 112.4 53.0 -60.2 -43.3 -35.2 227.5 -15.7 41 50 A D H X S+ 0 0 13 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.911 110.4 47.9 -57.4 -44.9 -33.9 230.6 -17.5 42 51 A A H X S+ 0 0 2 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.899 109.5 51.8 -64.9 -39.7 -32.1 231.7 -14.3 43 52 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.893 109.1 51.0 -63.7 -40.9 -30.5 228.2 -13.7 44 53 A L H X S+ 0 0 49 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.897 110.1 49.1 -64.7 -39.5 -29.2 228.2 -17.2 45 54 A Q H X S+ 0 0 64 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.936 111.7 49.3 -63.0 -44.1 -27.7 231.7 -16.7 46 55 A L H X>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 6,-1.3 0.850 107.6 55.9 -61.9 -34.0 -26.1 230.5 -13.5 47 56 A A H ><5S+ 0 0 27 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.880 104.6 51.6 -65.3 -36.8 -24.8 227.4 -15.4 48 57 A T H 3<5S+ 0 0 44 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 109.7 51.3 -73.0 -24.5 -23.0 229.5 -17.9 49 58 A E H 3<5S- 0 0 30 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.600 115.4-115.5 -81.7 -13.7 -21.4 231.4 -15.0 50 59 A G T <<5S+ 0 0 22 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.482 90.6 105.7 92.8 0.7 -20.1 228.2 -13.3 51 60 A L S > -B 59 0A 59 4,-2.3 3,-1.8 -2,-0.5 4,-1.6 -0.971 29.0-110.0-109.3 119.0 -25.1 217.0 -15.7 56 65 A P T 34 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.096 98.2 6.0 -50.5 143.4 -26.5 215.3 -18.8 57 66 A R T 34 S+ 0 0 244 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.665 130.4 60.5 65.6 13.1 -29.4 213.0 -18.2 58 67 A V T <4 S- 0 0 86 -3,-1.8 2,-0.3 1,-0.1 -1,-0.2 0.476 90.5-132.3-135.0 -71.1 -29.5 214.1 -14.5 59 68 A G E < - B 0 55A 20 -4,-1.6 -4,-2.3 -3,-0.1 2,-0.3 -0.992 40.2 -14.8 147.9-155.8 -30.1 217.8 -14.1 60 69 A F E +AB 23 54A 27 -37,-0.6 -37,-2.6 -2,-0.3 2,-0.3 -0.650 49.2 175.5 -92.5 144.0 -28.9 220.9 -12.4 61 70 A F E -AB 22 53A 55 -8,-2.5 -8,-3.0 -2,-0.3 -39,-0.2 -0.984 36.6-108.0-138.7 147.6 -26.7 221.0 -9.3 62 71 A V E - B 0 52A 2 -41,-2.5 -10,-0.3 -2,-0.3 -42,-0.2 -0.531 54.5 -96.7 -64.7 137.9 -25.1 223.8 -7.3 63 72 A T - 0 0 0 -12,-2.4 -43,-1.4 -2,-0.2 -42,-0.2 -0.225 31.4-130.6 -50.5 146.7 -21.3 223.8 -8.1 64 73 A D - 0 0 110 -45,-0.2 2,-0.4 -44,-0.1 -1,-0.1 -0.561 18.6-135.1 -84.6 163.1 -18.9 222.1 -5.8 65 74 A V + 0 0 19 -2,-0.2 2,-0.3 134,-0.0 3,-0.0 -0.997 31.7 162.1-126.5 125.1 -15.8 224.0 -4.6 66 75 A D > - 0 0 88 -2,-0.4 4,-1.8 1,-0.0 3,-0.2 -0.798 56.3 -82.6-130.6 178.9 -12.3 222.4 -4.6 67 76 A E H > S+ 0 0 60 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.895 126.3 54.1 -52.5 -43.1 -8.7 223.6 -4.5 68 77 A K H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.913 104.9 54.0 -58.0 -44.7 -8.7 224.2 -8.3 69 78 A F H > S+ 0 0 17 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 113.0 42.8 -51.1 -52.7 -11.8 226.5 -8.1 70 79 A I H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.928 114.8 49.0 -63.7 -48.3 -10.1 228.6 -5.4 71 80 A R H X S+ 0 0 104 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.896 110.3 50.5 -59.8 -42.9 -6.8 228.7 -7.1 72 81 A E H X S+ 0 0 23 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.897 110.5 50.6 -66.9 -37.5 -8.2 229.7 -10.5 73 82 A T H X S+ 0 0 6 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.927 111.0 47.8 -61.6 -48.5 -10.2 232.5 -8.9 74 83 A I H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.924 110.4 50.5 -62.8 -42.4 -7.2 233.9 -7.1 75 84 A E H X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.902 110.6 50.9 -63.1 -37.7 -5.0 233.9 -10.1 76 85 A T H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.904 109.8 50.3 -66.1 -40.0 -7.7 235.7 -12.1 77 86 A R H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.911 108.6 51.7 -62.1 -43.1 -7.9 238.3 -9.3 78 87 A I H X S+ 0 0 16 -4,-2.5 4,-2.1 1,-0.2 5,-0.4 0.970 112.3 47.1 -56.8 -53.4 -4.2 238.9 -9.4 79 88 A M H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.916 120.4 36.0 -55.5 -50.6 -4.3 239.4 -13.1 80 89 A M H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.929 119.2 44.8 -76.2 -46.2 -7.3 241.8 -13.1 81 90 A E H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.913 115.2 47.7 -68.0 -43.1 -6.6 243.8 -9.9 82 91 A V H X S+ 0 0 15 -4,-2.1 4,-2.5 -5,-0.5 5,-0.2 0.931 110.8 51.7 -64.2 -43.1 -2.9 244.3 -10.5 83 92 A F H X S+ 0 0 26 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.2 0.899 115.1 42.2 -57.8 -45.7 -3.6 245.4 -14.1 84 93 A C H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.923 114.1 49.5 -74.6 -41.1 -6.1 247.9 -13.0 85 94 A L H < S+ 0 0 0 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.914 114.9 46.6 -62.1 -37.7 -4.1 249.2 -10.0 86 95 A E H >< S+ 0 0 78 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.932 119.6 36.7 -67.9 -47.7 -1.0 249.6 -12.2 87 96 A N H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.619 127.5 33.6 -85.4 -14.6 -2.7 251.4 -15.1 88 97 A Y T 3X S+ 0 0 59 -4,-2.0 4,-2.3 -5,-0.1 5,-0.2 -0.062 78.0 129.5-126.8 24.9 -5.2 253.5 -13.1 89 98 A F H <> S+ 0 0 14 -3,-0.5 4,-2.9 1,-0.2 5,-0.2 0.878 72.2 45.8 -48.4 -51.3 -3.1 254.1 -10.1 90 99 A D H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.855 112.1 51.4 -70.0 -35.5 -3.4 257.9 -9.9 91 100 A K H 4 S+ 0 0 127 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.887 113.5 45.4 -62.2 -44.3 -7.2 257.8 -10.5 92 101 A I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 6,-0.3 0.953 112.5 50.9 -63.7 -47.6 -7.5 255.3 -7.6 93 102 A A H 3< S+ 0 0 33 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.816 113.0 45.6 -63.5 -31.4 -5.2 257.3 -5.4 94 103 A G T 3< S+ 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.369 89.1 118.4 -91.1 0.3 -7.2 260.5 -5.9 95 104 A S <> - 0 0 25 -3,-1.6 4,-1.1 -4,-0.3 3,-0.2 -0.453 63.1-140.8 -78.2 144.8 -10.6 259.0 -5.5 96 105 A E H > S+ 0 0 152 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.860 103.9 62.0 -63.9 -35.9 -13.1 260.0 -2.8 97 106 A E H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 96.2 58.2 -63.7 -35.9 -14.1 256.3 -2.5 98 107 A L H > S+ 0 0 1 -6,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.896 107.0 48.7 -61.6 -39.9 -10.5 255.4 -1.4 99 108 A L H X S+ 0 0 109 -4,-1.1 4,-1.6 -3,-0.3 -1,-0.2 0.887 109.4 51.0 -68.6 -37.9 -10.8 257.8 1.5 100 109 A E H X S+ 0 0 94 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.934 112.3 47.4 -61.6 -44.9 -14.2 256.5 2.6 101 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.877 104.8 59.3 -65.2 -38.2 -12.8 253.0 2.5 102 111 A K H X S+ 0 0 78 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.897 106.1 49.7 -57.0 -40.9 -9.8 254.0 4.5 103 112 A G H X S+ 0 0 41 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.876 108.7 50.9 -65.0 -42.4 -12.2 255.1 7.2 104 113 A E H X S+ 0 0 33 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.869 108.8 52.9 -59.3 -42.3 -14.0 251.8 7.2 105 114 A I H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.875 107.6 50.1 -63.9 -37.6 -10.8 250.0 7.5 106 115 A D H X S+ 0 0 66 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.846 108.3 53.9 -68.0 -36.1 -9.8 252.1 10.5 107 116 A D H >X S+ 0 0 74 -4,-1.9 4,-2.4 1,-0.2 3,-0.6 0.907 108.7 48.9 -62.9 -41.8 -13.1 251.3 12.1 108 117 A V H 3X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.847 100.5 64.1 -68.8 -32.4 -12.5 247.6 11.6 109 118 A E H 3< S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.1 33.1 -59.9 -29.8 -9.1 248.0 13.1 110 119 A K H << S+ 0 0 174 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.879 130.1 29.0 -89.2 -47.0 -10.9 248.9 16.3 111 120 A S H < S- 0 0 46 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.728 78.1-144.8 -90.9 -26.2 -14.1 246.9 16.2 112 121 A A < + 0 0 38 -4,-2.0 2,-0.8 -5,-0.3 -4,-0.1 0.785 35.9 170.3 48.1 34.8 -13.3 243.7 14.3 113 122 A K >> - 0 0 109 -6,-0.2 4,-1.5 1,-0.2 3,-0.7 -0.647 25.6-156.9 -74.9 110.2 -16.8 243.9 12.9 114 123 A R H 3> S+ 0 0 49 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.775 88.0 59.0 -61.5 -28.3 -16.9 241.4 10.2 115 124 A E H 3> S+ 0 0 120 2,-0.2 4,-1.3 1,-0.2 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94.6 49.6 -62.5 -42.7 -37.1 233.5 -32.8 228 35 B R H > S+ 0 0 155 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 113.1 46.5 -60.0 -49.3 -39.8 232.1 -35.0 229 36 B E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.874 112.9 49.0 -62.7 -40.6 -37.9 232.8 -38.1 230 37 B L H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.905 109.9 51.6 -67.7 -41.0 -34.6 231.5 -36.8 231 38 B S H X>S+ 0 0 2 -4,-2.2 5,-2.0 -5,-0.2 4,-0.9 0.904 111.3 47.2 -59.8 -43.3 -36.2 228.3 -35.6 232 39 B E H <5S+ 0 0 119 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.922 112.0 50.5 -69.3 -39.7 -37.8 227.7 -39.0 233 40 B K H <5S+ 0 0 133 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.875 118.3 37.2 -62.7 -41.0 -34.5 228.4 -40.8 234 41 B L H <5S- 0 0 42 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.514 108.0-123.6 -90.1 -7.7 -32.5 226.0 -38.6 235 42 B G T <5 + 0 0 63 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.908 66.7 118.1 65.3 45.5 -35.3 223.4 -38.3 236 43 B I < - 0 0 41 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.911 68.3 -83.4-138.1 163.0 -35.5 223.3 -34.6 237 44 B S > - 0 0 72 -2,-0.3 4,-0.8 1,-0.1 -1,-0.0 -0.261 39.5-119.4 -58.3 152.2 -37.9 224.0 -31.6 238 45 B F H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.776 101.7 72.0 -58.1 -35.9 -38.2 227.6 -30.3 239 46 B T H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 98.8 42.1 -55.7 -52.4 -37.0 226.7 -26.8 240 47 B P H > S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.805 112.9 55.1 -72.0 -26.2 -33.4 226.2 -27.6 241 48 B V H X S+ 0 0 0 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.946 111.5 43.6 -62.8 -50.0 -33.3 229.2 -29.9 242 49 B R H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.915 112.8 52.8 -58.9 -46.2 -34.6 231.4 -27.1 243 50 B D H X S+ 0 0 28 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.922 111.3 47.6 -55.0 -46.1 -32.2 229.7 -24.6 244 51 B A H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.891 109.6 51.6 -65.2 -42.6 -29.2 230.5 -27.0 245 52 B L H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.881 108.8 51.8 -64.6 -38.3 -30.2 234.1 -27.6 246 53 B L H X S+ 0 0 34 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.885 110.9 47.2 -67.0 -36.4 -30.4 234.7 -23.8 247 54 B Q H X S+ 0 0 54 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.938 110.8 51.0 -69.0 -40.8 -27.0 233.3 -23.4 248 55 B L H X>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 6,-1.3 0.839 107.4 56.4 -64.3 -29.5 -25.6 235.4 -26.2 249 56 B A H ><5S+ 0 0 28 -4,-1.6 3,-0.7 4,-0.2 -1,-0.2 0.891 105.1 49.5 -69.2 -37.0 -27.3 238.4 -24.5 250 57 B T H 3<5S+ 0 0 43 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 109.9 52.9 -72.1 -27.0 -25.4 237.7 -21.3 251 58 B E H 3<5S- 0 0 28 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.601 115.9-115.0 -78.6 -15.0 -22.2 237.5 -23.4 252 59 B G T <<5S+ 0 0 20 -3,-0.7 -3,-0.2 -4,-0.7 -4,-0.1 0.522 91.2 104.4 93.6 2.5 -22.8 240.8 -25.1 253 60 B L S > -D 261 0B 55 4,-3.2 4,-2.3 -2,-0.6 3,-2.3 -0.928 30.4-109.3-106.6 119.2 -34.8 245.5 -25.9 258 65 B P T 34 S- 0 0 85 0, 0.0 -1,-0.0 0, 0.0 4,-0.0 -0.145 95.5 -6.1 -50.2 131.4 -37.8 245.5 -23.6 259 66 B R T 34 S+ 0 0 241 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.598 131.1 68.1 54.0 25.2 -41.2 244.9 -25.3 260 67 B V T <4 S- 0 0 83 -3,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.623 92.4-136.7-132.2 -60.3 -39.4 244.9 -28.7 261 68 B G E < - D 0 257B 22 -4,-2.3 -4,-3.2 -35,-0.0 2,-0.3 -0.952 36.4 -15.9 139.8-152.2 -37.1 241.8 -28.6 262 69 B F E +CD 225 256B 25 -37,-0.6 -37,-2.8 -2,-0.3 2,-0.3 -0.671 48.5 178.5 -96.7 142.6 -33.7 240.5 -29.5 263 70 B F E -CD 224 255B 51 -8,-2.5 -8,-3.0 -2,-0.3 -39,-0.2 -0.988 34.9-107.1-137.4 149.6 -31.1 242.2 -31.7 264 71 B V E - D 0 254B 2 -41,-2.7 -42,-0.3 -2,-0.3 -10,-0.3 -0.511 53.9 -99.2 -67.9 141.0 -27.5 241.5 -32.8 265 72 B T - 0 0 1 -12,-2.5 -43,-1.2 -2,-0.1 -42,-0.2 -0.243 30.4-128.9 -58.3 151.1 -25.2 243.8 -30.9 266 73 B D - 0 0 111 -45,-0.2 2,-0.5 -44,-0.1 -1,-0.1 -0.590 19.6-131.7 -85.9 158.6 -23.9 246.9 -32.7 267 74 B V + 0 0 20 -2,-0.2 2,-0.2 134,-0.0 -46,-0.0 -0.980 34.0 161.8-117.0 127.6 -20.2 247.6 -32.6 268 75 B D > - 0 0 89 -2,-0.5 4,-1.8 1,-0.0 5,-0.2 -0.777 56.2 -83.7-133.3 177.7 -18.8 251.0 -31.7 269 76 B E H > S+ 0 0 69 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.866 125.2 54.6 -55.9 -42.2 -15.5 252.4 -30.5 270 77 B K H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.924 105.1 53.8 -59.6 -39.4 -16.2 251.4 -26.9 271 78 B F H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.947 113.0 42.9 -57.8 -47.3 -16.8 247.8 -27.8 272 79 B I H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 115.2 48.1 -65.3 -50.7 -13.4 247.7 -29.7 273 80 B R H X S+ 0 0 104 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.899 110.7 50.5 -58.4 -45.5 -11.4 249.5 -27.0 274 81 B E H X S+ 0 0 12 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.909 110.9 49.6 -64.7 -40.5 -12.8 247.4 -24.2 275 82 B T H X S+ 0 0 7 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.936 111.6 48.3 -58.5 -48.0 -11.9 244.2 -26.0 276 83 B I H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 110.3 50.6 -64.2 -44.1 -8.4 245.4 -26.7 277 84 B E H X S+ 0 0 29 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.910 110.4 50.6 -60.2 -40.9 -7.7 246.5 -23.2 278 85 B T H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.902 109.5 51.2 -64.6 -40.7 -9.0 243.1 -21.9 279 86 B R H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.922 109.1 50.0 -59.2 -44.2 -6.6 241.3 -24.4 280 87 B I H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 5,-0.4 0.968 112.5 49.2 -60.2 -49.2 -3.6 243.4 -23.2 281 88 B M H X S+ 0 0 4 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.932 120.2 33.6 -51.9 -57.6 -4.5 242.5 -19.6 282 89 B M H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.926 119.6 46.1 -73.8 -46.4 -4.9 238.8 -20.2 283 90 B E H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.888 114.5 47.7 -67.6 -43.7 -2.3 238.1 -22.9 284 91 B V H X S+ 0 0 15 -4,-2.2 4,-2.7 -5,-0.5 5,-0.2 0.916 111.0 51.6 -63.4 -44.4 0.5 240.1 -21.1 285 92 B F H X S+ 0 0 31 -4,-1.7 4,-2.3 -5,-0.4 -2,-0.2 0.942 115.1 42.0 -57.5 -43.0 -0.3 238.4 -17.8 286 93 B C H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.907 114.1 50.1 -74.0 -40.1 -0.0 235.0 -19.4 287 94 B L H < S+ 0 0 0 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.927 114.9 45.7 -64.6 -37.0 3.0 235.7 -21.5 288 95 B E H < S+ 0 0 81 -4,-2.7 3,-0.3 -5,-0.2 -2,-0.2 0.906 119.8 37.0 -69.1 -46.1 4.8 237.1 -18.5 289 96 B N H < S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.659 128.1 33.0 -84.6 -15.2 4.0 234.4 -16.0 290 97 B Y S >X S+ 0 0 59 -4,-2.0 4,-2.2 -5,-0.2 3,-0.6 0.092 77.9 129.1-127.1 17.9 4.2 231.4 -18.4 291 98 B F H 3> S+ 0 0 11 -4,-0.4 4,-2.9 -3,-0.3 5,-0.2 0.839 72.4 47.1 -43.0 -53.5 7.0 232.7 -20.7 292 99 B D H 3> S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.871 111.6 51.4 -67.8 -34.1 9.2 229.6 -20.6 293 100 B K H <4 S+ 0 0 128 -3,-0.6 4,-0.4 2,-0.2 -1,-0.2 0.915 113.2 45.1 -66.0 -41.4 6.3 227.2 -21.2 294 101 B I H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 6,-0.3 0.938 112.0 52.8 -65.0 -48.9 5.2 229.2 -24.3 295 102 B A H 3< S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 112.7 44.1 -60.0 -33.0 8.8 229.5 -25.6 296 103 B G T 3< S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.417 89.0 118.0 -94.3 2.6 9.4 225.8 -25.4 297 104 B S <> - 0 0 24 -3,-1.4 4,-1.0 -4,-0.4 3,-0.2 -0.364 62.7-140.7 -77.5 146.5 6.1 224.7 -26.9 298 105 B E H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.872 103.0 64.3 -67.5 -33.4 5.7 222.7 -30.1 299 106 B E H > S+ 0 0 42 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.873 95.9 56.8 -63.0 -35.6 2.7 224.8 -30.9 300 107 B L H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.902 105.9 51.3 -60.9 -36.8 4.9 227.9 -31.1 301 108 B L H X S+ 0 0 95 -4,-1.0 4,-1.5 -3,-0.4 -2,-0.2 0.878 109.1 49.9 -69.6 -35.5 7.0 226.2 -33.7 302 109 B E H X S+ 0 0 92 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.919 110.6 49.2 -68.5 -40.3 4.0 225.3 -35.8 303 110 B I H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.897 105.2 59.6 -63.7 -40.9 2.7 228.9 -35.7 304 111 B K H X S+ 0 0 95 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.900 105.3 49.2 -51.0 -42.0 6.2 230.0 -36.8 305 112 B G H X S+ 0 0 32 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.887 108.4 52.4 -69.3 -39.4 5.8 228.0 -39.9 306 113 B E H X S+ 0 0 26 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.837 104.7 56.8 -66.0 -34.0 2.3 229.4 -40.7 307 114 B I H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.884 105.9 49.2 -62.2 -42.7 3.6 232.9 -40.4 308 115 B D H X S+ 0 0 74 -4,-1.4 4,-1.9 2,-0.2 5,-0.3 0.903 108.5 55.0 -65.3 -40.2 6.2 232.2 -43.0 309 116 B D H X S+ 0 0 85 -4,-2.0 4,-2.6 1,-0.2 6,-0.3 0.914 109.1 47.8 -52.4 -46.7 3.4 230.7 -45.2 310 117 B V H X S+ 0 0 3 -4,-1.9 4,-3.5 3,-0.2 -1,-0.2 0.852 109.5 51.8 -67.5 -34.6 1.5 234.0 -44.9 311 118 B E H < S+ 0 0 77 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.879 116.6 38.7 -73.3 -39.5 4.4 236.2 -45.7 312 119 B K H < S+ 0 0 188 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.932 135.0 23.2 -69.3 -45.4 5.2 234.4 -48.8 313 120 B S H < S- 0 0 57 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.699 80.6-146.0 -96.4 -25.5 1.6 233.9 -49.7 314 121 B A < + 0 0 40 -4,-3.5 2,-0.6 -5,-0.3 -4,-0.2 0.829 35.6 168.0 49.2 37.8 -0.5 236.6 -48.0 315 122 B K > - 0 0 117 -6,-0.3 4,-2.1 1,-0.2 3,-0.4 -0.679 27.9-153.9 -77.7 115.4 -3.3 234.0 -47.6 316 123 B R H > S+ 0 0 54 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.918 90.1 55.7 -57.4 -47.4 -5.9 235.6 -45.1 317 124 B E H > S+ 0 0 137 2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.789 108.6 47.4 -53.2 -43.2 -7.3 232.2 -43.9 318 125 B I H > S+ 0 0 41 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.907 112.7 51.5 -69.7 -40.6 -3.9 231.0 -42.9 319 126 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.3 0.929 107.0 50.8 -58.7 -48.1 -3.3 234.3 -41.2 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