==== 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 03-DEC-07 3BJA . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, MARR FAMILY, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 74.8 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 . 9 6.5 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 . 1 0.7 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 1 0 1 0 0 0 0 0 1 0 0 0 1 0 1 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 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 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 0 A G > 0 0 67 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-148.4 -3.9 21.2 4.3 2 1 A X H > + 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.779 360.0 56.3 -66.4 -31.6 -2.3 19.5 7.4 3 2 A N H > S+ 0 0 117 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.876 110.8 43.4 -62.8 -42.7 -2.2 16.2 5.5 4 3 A N H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.888 115.7 48.3 -69.8 -42.9 -0.2 17.8 2.6 5 4 A R H X S+ 0 0 185 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.903 110.1 51.3 -65.3 -44.4 2.0 19.7 5.0 6 5 A E H X S+ 0 0 112 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.801 110.9 50.1 -61.2 -33.6 2.7 16.5 7.1 7 6 A L H X S+ 0 0 87 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.888 108.5 50.2 -72.8 -44.1 3.7 14.6 3.9 8 7 A Y H X S+ 0 0 141 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.964 113.0 49.0 -57.6 -49.6 6.1 17.4 2.7 9 8 A G H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.844 109.5 50.7 -56.9 -41.8 7.7 17.2 6.2 10 9 A N H X S+ 0 0 89 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.899 110.3 48.7 -68.0 -40.0 8.0 13.4 6.2 11 10 A I H X S+ 0 0 68 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.905 113.7 46.7 -67.4 -40.7 9.7 13.3 2.8 12 11 A R H X S+ 0 0 124 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.921 111.3 52.1 -64.3 -46.6 12.2 16.1 3.8 13 12 A D H X S+ 0 0 96 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.906 110.9 46.7 -57.1 -45.5 12.9 14.4 7.2 14 13 A V H X S+ 0 0 86 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.917 113.3 49.5 -63.6 -42.9 13.7 11.0 5.5 15 14 A Y H X S+ 0 0 113 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.917 111.7 48.4 -61.4 -45.2 15.9 12.7 2.9 16 15 A H H X S+ 0 0 92 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.893 109.7 51.4 -65.1 -40.5 17.8 14.7 5.6 17 16 A L H X S+ 0 0 90 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.868 108.5 53.9 -61.5 -37.5 18.4 11.5 7.7 18 17 A L H X S+ 0 0 47 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.865 109.9 45.0 -65.0 -40.3 19.7 9.8 4.5 19 18 A Q H X S+ 0 0 42 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.957 113.5 51.1 -69.8 -46.1 22.3 12.6 3.9 20 19 A K H X S+ 0 0 141 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.916 114.0 44.1 -49.4 -51.6 23.3 12.5 7.7 21 20 A N H X S+ 0 0 61 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.762 112.4 51.6 -68.4 -32.1 23.8 8.7 7.6 22 21 A L H X S+ 0 0 9 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.2 0.885 108.6 51.5 -68.2 -44.6 25.7 8.8 4.2 23 22 A D H < S+ 0 0 51 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.826 110.4 49.0 -59.1 -38.4 28.1 11.5 5.6 24 23 A K H >< S+ 0 0 145 -4,-1.5 3,-0.7 -5,-0.2 4,-0.3 0.928 112.3 49.7 -64.9 -46.9 28.7 9.2 8.6 25 24 A A H 3< S+ 0 0 27 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.815 118.0 36.3 -62.0 -40.1 29.3 6.3 6.2 26 25 A I T ><>S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 5,-0.6 0.357 86.5 108.7 -96.0 4.0 31.8 8.1 3.9 27 26 A E G X 5 + 0 0 117 -3,-0.7 3,-1.8 -4,-0.5 4,-0.2 0.810 68.0 63.3 -46.9 -47.8 33.5 10.1 6.8 28 27 A Q G 3 5S+ 0 0 125 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.693 95.6 60.0 -54.8 -26.9 36.7 8.1 6.8 29 28 A Y G < 5S- 0 0 39 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.246 110.6-116.7 -88.4 11.1 37.5 9.3 3.2 30 29 A D T < 5S+ 0 0 135 -3,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.877 79.9 106.6 53.7 42.1 37.6 13.0 4.2 31 30 A I < - 0 0 13 -5,-0.6 2,-0.2 -4,-0.2 -1,-0.2 -0.956 54.7-147.9-141.6 158.0 34.6 13.9 1.9 32 31 A S > - 0 0 34 -2,-0.3 4,-2.5 -3,-0.1 3,-0.2 -0.627 46.0 -83.2-115.8 180.0 30.9 14.7 2.4 33 32 A Y H > S+ 0 0 110 1,-0.2 4,-3.1 -2,-0.2 5,-0.1 0.864 127.1 57.3 -53.7 -39.6 27.9 14.0 0.3 34 33 A V H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 111.5 39.9 -61.5 -45.4 28.6 17.1 -1.9 35 34 A Q H > S+ 0 0 39 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 115.0 53.2 -70.3 -41.7 32.2 16.0 -2.8 36 35 A F H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.941 106.9 53.3 -54.4 -49.2 31.0 12.4 -3.2 37 36 A G H X S+ 0 0 20 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.894 108.1 49.1 -52.0 -49.1 28.3 13.6 -5.7 38 37 A V H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.876 110.4 51.0 -58.4 -45.3 30.9 15.4 -7.8 39 38 A I H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.907 112.1 46.8 -60.6 -44.2 33.0 12.3 -8.0 40 39 A Q H >X S+ 0 0 43 -4,-2.4 4,-1.8 2,-0.2 3,-0.7 0.960 114.9 46.5 -62.0 -51.6 30.0 10.2 -9.0 41 40 A V H 3X S+ 0 0 27 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.934 114.5 47.1 -56.1 -50.3 29.0 12.8 -11.7 42 41 A L H 3< S+ 0 0 6 -4,-3.1 51,-0.4 1,-0.2 -1,-0.2 0.604 108.6 54.6 -69.9 -18.1 32.6 13.1 -13.0 43 42 A A H << S+ 0 0 32 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.919 111.5 43.6 -77.6 -46.9 33.2 9.3 -13.2 44 43 A K H < S+ 0 0 118 -4,-1.8 -2,-0.2 -5,-0.1 2,-0.1 0.952 119.5 42.6 -61.6 -57.2 30.1 8.7 -15.4 45 44 A S S < S- 0 0 27 -4,-2.1 3,-0.1 -5,-0.2 0, 0.0 -0.473 86.6-133.2 -82.9 162.6 30.7 11.6 -17.7 46 45 A G - 0 0 53 1,-0.2 2,-1.0 -2,-0.1 -1,-0.2 0.313 67.8 -19.7 -87.3-137.1 34.2 12.4 -19.0 47 46 A K S S+ 0 0 114 45,-0.1 -1,-0.2 43,-0.1 45,-0.2 -0.650 82.4 174.4 -72.8 102.2 35.9 15.8 -19.0 48 47 A V E -A 91 0A 23 43,-1.5 43,-3.3 -2,-1.0 2,-0.2 -0.579 31.4 -96.7-105.5 172.1 32.8 18.1 -18.8 49 48 A S E > -A 90 0A 18 41,-0.3 4,-2.4 -2,-0.2 41,-0.2 -0.491 31.7-111.8 -83.6 160.4 32.4 21.8 -18.4 50 49 A X H > S+ 0 0 29 39,-2.2 4,-2.4 2,-0.2 5,-0.1 0.877 122.3 50.1 -55.2 -41.2 31.8 23.6 -15.1 51 50 A S H > S+ 0 0 72 2,-0.2 4,-2.7 38,-0.2 5,-0.2 0.954 109.0 50.4 -64.6 -51.4 28.3 24.5 -16.4 52 51 A K H > S+ 0 0 101 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.848 111.4 49.6 -52.5 -40.4 27.6 20.8 -17.3 53 52 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.929 110.3 49.2 -65.3 -47.1 28.8 19.8 -13.8 54 53 A I H < S+ 0 0 58 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.909 115.2 45.3 -58.2 -42.7 26.5 22.4 -12.2 55 54 A E H < S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.945 112.5 50.0 -65.1 -49.6 23.6 21.2 -14.4 56 55 A N H < S+ 0 0 65 -4,-2.9 2,-0.6 -5,-0.2 -1,-0.2 0.571 87.4 98.9 -67.1 -15.3 24.4 17.5 -13.7 57 56 A X < - 0 0 19 -4,-1.1 3,-0.2 -3,-0.3 -19,-0.0 -0.725 69.8-150.0 -72.4 119.8 24.5 18.2 -9.9 58 57 A G S S+ 0 0 90 -2,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.854 92.0 20.2 -56.6 -40.0 21.0 17.1 -8.7 59 58 A C S S- 0 0 84 -3,-0.1 -1,-0.3 -25,-0.1 -4,-0.0 -0.988 84.3-149.2-132.1 120.3 21.4 19.8 -6.0 60 59 A V - 0 0 66 -2,-0.4 -6,-0.0 -3,-0.2 -26,-0.0 -0.802 15.1-134.7 -92.7 127.3 23.9 22.6 -6.6 61 60 A P > - 0 0 39 0, 0.0 3,-0.6 0, 0.0 -1,-0.0 -0.197 22.6-109.6 -73.7 173.1 25.6 24.2 -3.5 62 61 A S T 3 S+ 0 0 111 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.056 112.4 41.0 -89.3 24.2 26.1 28.0 -2.9 63 62 A N T 3> + 0 0 87 2,-0.0 4,-3.3 3,-0.0 3,-0.3 0.010 62.6 147.6-162.8 40.9 29.9 27.8 -3.5 64 63 A X H <> S+ 0 0 13 -3,-0.6 4,-2.6 1,-0.2 5,-0.2 0.854 77.3 48.2 -48.0 -51.8 30.7 25.4 -6.5 65 64 A T H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.868 117.2 42.5 -62.0 -39.7 33.8 27.3 -7.7 66 65 A T H > S+ 0 0 100 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.921 114.8 50.9 -69.9 -46.3 35.3 27.4 -4.2 67 66 A X H X S+ 0 0 12 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.821 110.6 48.4 -62.1 -37.3 34.3 23.8 -3.4 68 67 A I H X S+ 0 0 8 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.861 107.8 55.2 -71.0 -40.4 35.9 22.6 -6.7 69 68 A Q H X S+ 0 0 107 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.865 106.3 51.7 -57.4 -39.0 39.2 24.5 -5.9 70 69 A R H X S+ 0 0 145 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.920 111.5 46.3 -62.6 -46.7 39.3 22.7 -2.5 71 70 A X H <>S+ 0 0 1 -4,-1.5 5,-1.9 2,-0.2 6,-1.3 0.762 109.6 57.0 -65.5 -28.1 38.9 19.4 -4.4 72 71 A K H ><5S+ 0 0 61 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.937 110.8 40.2 -68.8 -48.0 41.6 20.6 -6.8 73 72 A R H 3<5S+ 0 0 157 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 111.6 58.3 -69.0 -40.4 44.2 21.2 -4.1 74 73 A D T 3<5S- 0 0 54 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.631 114.9-121.8 -59.2 -21.1 43.1 17.9 -2.3 75 74 A G T < 5S+ 0 0 25 -3,-0.6 22,-0.5 -4,-0.5 21,-0.3 0.565 82.3 111.5 89.7 14.0 44.0 16.2 -5.6 76 75 A Y S - 0 0 83 1,-0.1 3,-1.5 3,-0.0 -3,-0.5 -0.880 67.1-165.6-105.1 105.1 36.3 28.9 -25.6 86 85 A Q T 3 S+ 0 0 90 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.700 86.9 61.8 -62.1 -24.0 38.7 30.7 -23.2 87 86 A R T 3 S+ 0 0 150 -6,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.228 94.2 84.0 -87.9 14.3 35.8 31.8 -20.9 88 87 A E < - 0 0 59 -3,-1.5 -6,-2.2 -6,-0.3 2,-0.5 -0.958 64.3-152.1-122.7 137.7 35.0 28.1 -20.2 89 88 A T E - B 0 81A 60 -2,-0.4 -39,-2.2 -8,-0.2 2,-0.3 -0.936 7.7-152.0-112.6 125.1 36.6 25.7 -17.6 90 89 A L E -AB 49 80A 25 -10,-3.5 -10,-2.2 -2,-0.5 2,-0.3 -0.789 14.2-163.3 -94.8 140.6 36.7 21.9 -18.2 91 90 A V E +AB 48 79A 0 -43,-3.3 -43,-1.5 -2,-0.3 2,-0.3 -0.947 14.9 158.8-127.9 145.7 36.8 19.6 -15.1 92 91 A Y E - B 0 78A 67 -14,-1.7 -14,-2.7 -2,-0.3 2,-0.2 -0.989 40.4 -89.1-160.5 159.3 37.7 15.9 -14.7 93 92 A L E - B 0 77A 13 -51,-0.4 -16,-0.2 -2,-0.3 2,-0.1 -0.490 35.0-141.9 -72.5 142.9 38.8 13.3 -12.2 94 93 A T > - 0 0 31 -18,-2.4 4,-2.0 -2,-0.2 5,-0.2 -0.387 36.5 -94.4 -89.3 176.4 42.5 12.7 -11.5 95 94 A K H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 129.0 51.2 -58.9 -45.3 44.0 9.2 -10.9 96 95 A K H > S+ 0 0 99 -21,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.866 110.7 47.5 -57.3 -45.6 43.6 9.8 -7.1 97 96 A G H > S+ 0 0 0 -22,-0.5 4,-1.7 -21,-0.4 -1,-0.2 0.815 110.1 52.5 -66.8 -32.5 39.9 10.8 -7.5 98 97 A E H X S+ 0 0 112 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.902 113.7 43.7 -66.4 -44.4 39.3 7.7 -9.8 99 98 A E H X S+ 0 0 106 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.854 109.1 57.6 -67.3 -40.7 40.9 5.5 -7.0 100 99 A T H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.875 103.7 53.6 -59.3 -39.6 38.9 7.4 -4.3 101 100 A K H X S+ 0 0 50 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.918 106.6 52.0 -59.5 -48.0 35.6 6.5 -6.1 102 101 A K H X S+ 0 0 61 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.916 112.9 44.5 -53.6 -49.8 36.5 2.8 -6.1 103 102 A Q H X S+ 0 0 114 -4,-1.9 4,-0.7 1,-0.2 3,-0.5 0.856 114.3 48.0 -66.7 -38.0 37.2 2.9 -2.3 104 103 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.805 97.8 69.6 -74.6 -31.6 34.0 4.9 -1.5 105 104 A D H X S+ 0 0 48 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.780 95.0 57.5 -55.4 -30.8 31.7 2.6 -3.6 106 105 A V H X S+ 0 0 89 -4,-0.6 4,-1.5 -3,-0.5 -1,-0.2 0.920 110.9 40.6 -66.5 -46.8 32.3 -0.2 -1.0 107 106 A Q H X S+ 0 0 43 -4,-0.7 4,-1.9 -3,-0.3 -2,-0.2 0.825 114.2 54.0 -69.8 -34.9 30.9 2.1 1.8 108 107 A Y H X S+ 0 0 76 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.892 105.9 52.1 -64.4 -44.6 28.1 3.4 -0.4 109 108 A S H X S+ 0 0 67 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.916 112.4 45.8 -57.4 -45.7 27.0 -0.1 -1.2 110 109 A D H X S+ 0 0 74 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.844 109.5 56.4 -65.2 -36.8 26.8 -0.8 2.6 111 110 A F H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 5,-0.3 0.947 106.8 48.2 -59.1 -51.2 25.0 2.5 3.1 112 111 A L H X S+ 0 0 71 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.873 115.4 44.7 -58.2 -42.3 22.2 1.6 0.7 113 112 A K H X S+ 0 0 84 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.972 116.6 44.1 -67.2 -51.8 21.7 -1.8 2.3 114 113 A E H < S+ 0 0 150 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.689 129.2 26.9 -66.9 -22.5 21.9 -0.6 5.9 115 114 A N H < S+ 0 0 45 -4,-1.9 3,-0.2 -5,-0.2 -2,-0.2 0.659 126.9 38.1-115.0 -28.4 19.6 2.4 5.3 116 115 A C H < S+ 0 0 65 -4,-2.5 3,-0.2 -5,-0.3 -2,-0.1 0.010 99.2 77.9-112.6 24.8 17.3 1.5 2.3 117 116 A G < + 0 0 48 -4,-0.6 -1,-0.1 1,-0.1 -4,-0.1 0.218 59.2 99.5-117.6 15.6 16.7 -2.2 3.2 118 117 A C + 0 0 99 -3,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.592 65.1 83.6 -81.1 -13.6 14.1 -1.8 5.9 119 118 A F S S- 0 0 92 -3,-0.2 2,-0.1 1,-0.1 -3,-0.0 -0.513 79.2-115.0 -90.7 157.6 11.0 -2.6 3.8 120 119 A T > - 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