==== 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 17-SEP-09 3JW4 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, MARR/EMRR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR M.E.CUFF,L.BIGELOW,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 381 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 78.0 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 . 12 3.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 0 1 2 1 1 3 0 0 3 0 0 0 1 0 3 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 . 1 0 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 . 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 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 9 A D 0 0 140 0, 0.0 3,-0.1 0, 0.0 229,-0.0 0.000 360.0 360.0 360.0 -0.1 -40.1 3.5 -32.2 2 10 A T > + 0 0 9 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.447 360.0 153.5-128.4 61.4 -37.8 1.9 -29.5 3 11 A P H > + 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.848 67.5 52.3 -65.4 -38.7 -35.0 0.7 -31.9 4 12 A Y H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 113.1 45.4 -61.6 -48.9 -32.1 0.7 -29.4 5 13 A S H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 113.3 51.3 -59.9 -41.3 -34.1 -1.5 -26.9 6 14 A Y H X S+ 0 0 125 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.942 112.0 45.2 -61.2 -47.1 -35.2 -3.8 -29.8 7 15 A L H X S+ 0 0 13 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.914 113.3 50.3 -65.4 -39.5 -31.6 -4.3 -31.1 8 16 A I H X S+ 0 0 6 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.939 113.5 45.3 -64.2 -43.8 -30.3 -4.9 -27.5 9 17 A R H X S+ 0 0 90 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.903 114.7 47.7 -63.6 -42.8 -33.0 -7.5 -26.8 10 18 A S H X S+ 0 0 19 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.939 114.6 43.8 -71.6 -46.1 -32.6 -9.2 -30.1 11 19 A I H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.945 112.2 54.7 -62.6 -44.7 -28.8 -9.5 -30.0 12 20 A G H >< S+ 0 0 13 -4,-2.4 3,-0.6 -5,-0.3 4,-0.3 0.906 109.6 47.7 -53.1 -44.1 -29.0 -10.5 -26.3 13 21 A X H >< S+ 0 0 141 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.892 107.8 54.9 -65.0 -42.2 -31.3 -13.3 -27.4 14 22 A K H >< S+ 0 0 61 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.710 90.8 74.6 -65.6 -18.5 -29.1 -14.4 -30.2 15 23 A L T << S+ 0 0 0 -4,-1.3 4,-0.3 -3,-0.6 -1,-0.2 0.726 98.6 48.6 -65.7 -14.2 -26.1 -14.7 -27.8 16 24 A K T <> S+ 0 0 86 -3,-1.4 4,-2.3 -4,-0.3 -1,-0.2 0.450 82.8 91.6-102.7 -6.1 -27.8 -18.0 -26.6 17 25 A T H <> S+ 0 0 89 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.948 87.4 46.2 -65.5 -51.6 -28.5 -19.8 -29.8 18 26 A S H > S+ 0 0 67 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.871 113.9 49.6 -57.6 -40.4 -25.3 -21.8 -30.1 19 27 A A H > S+ 0 0 5 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.915 109.7 50.2 -69.0 -41.6 -25.5 -22.9 -26.5 20 28 A D H X S+ 0 0 87 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 109.1 52.3 -61.3 -40.9 -29.1 -24.0 -26.7 21 29 A A H X S+ 0 0 44 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.915 109.7 48.6 -62.6 -43.2 -28.4 -26.1 -29.8 22 30 A R H X S+ 0 0 82 -4,-1.9 4,-2.1 2,-0.2 6,-0.2 0.931 108.9 52.9 -65.8 -42.2 -25.5 -27.9 -28.1 23 31 A L H <>S+ 0 0 17 -4,-2.4 5,-2.6 1,-0.2 4,-0.3 0.953 110.6 48.5 -54.0 -48.1 -27.6 -28.7 -25.0 24 32 A A H ><5S+ 0 0 71 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.918 108.7 51.8 -60.8 -46.2 -30.3 -30.2 -27.3 25 33 A E H 3<5S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 111.7 48.6 -58.8 -34.5 -27.7 -32.3 -29.3 26 34 A L T 3<5S- 0 0 37 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.410 115.6-117.3 -82.9 -1.1 -26.5 -33.7 -25.9 27 35 A G T < 5S+ 0 0 47 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.767 73.4 126.0 66.2 27.7 -30.0 -34.4 -24.7 28 36 A L < - 0 0 13 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.811 49.3-142.2-111.9 156.0 -29.8 -31.9 -21.8 29 37 A N > - 0 0 79 -2,-0.3 4,-2.3 -3,-0.1 3,-0.3 -0.607 35.5 -97.9-103.2 173.2 -31.9 -29.0 -20.8 30 38 A S H > S+ 0 0 79 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.782 122.6 55.4 -58.2 -35.5 -30.9 -25.6 -19.3 31 39 A Q H > S+ 0 0 138 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.844 108.7 48.1 -66.5 -36.4 -31.6 -26.7 -15.7 32 40 A Q H > S+ 0 0 25 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.948 112.5 47.5 -71.0 -47.5 -29.2 -29.7 -16.2 33 41 A G H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.893 113.6 47.8 -56.3 -44.0 -26.4 -27.6 -17.7 34 42 A R H X S+ 0 0 65 -4,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.909 110.5 52.0 -67.3 -42.5 -26.7 -25.0 -14.9 35 43 A X H X S+ 0 0 24 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.942 110.2 47.6 -59.1 -47.4 -26.7 -27.7 -12.3 36 44 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.944 114.3 48.7 -59.6 -45.3 -23.5 -29.2 -13.7 37 45 A G H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.906 110.3 50.3 -58.3 -46.2 -22.0 -25.7 -13.8 38 46 A Y H X S+ 0 0 61 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.907 112.7 45.8 -61.2 -45.4 -23.1 -24.9 -10.2 39 47 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 3,-0.4 0.943 111.3 52.6 -62.9 -49.3 -21.6 -28.1 -8.9 40 48 A Y H < S+ 0 0 66 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.899 112.9 46.4 -51.1 -43.3 -18.3 -27.6 -10.9 41 49 A E H < S+ 0 0 124 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.787 125.0 26.8 -69.5 -33.8 -18.0 -24.1 -9.4 42 50 A N H X S+ 0 0 47 -4,-1.5 4,-2.3 -3,-0.4 3,-0.3 0.460 88.3 97.1-115.3 -5.8 -18.7 -25.0 -5.8 43 51 A Q T < S+ 0 0 27 -4,-2.4 4,-0.2 1,-0.2 -3,-0.1 0.771 82.4 57.2 -63.5 -28.2 -17.6 -28.6 -5.3 44 52 A E T 4 S+ 0 0 147 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.918 110.3 43.4 -68.1 -46.2 -14.2 -27.6 -3.9 45 53 A S T 4 S- 0 0 116 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.875 128.0-110.0 -56.2 -43.2 -15.9 -25.6 -1.1 46 54 A G < - 0 0 21 -4,-2.3 2,-0.4 -7,-0.2 -3,-0.1 0.300 35.5-157.9 112.6 123.6 -18.3 -28.6 -0.8 47 55 A I - 0 0 9 31,-0.3 31,-2.4 -4,-0.2 2,-0.2 -1.000 3.5-163.6-134.8 139.0 -21.9 -28.8 -1.8 48 56 A I >> - 0 0 65 -2,-0.4 4,-1.1 29,-0.2 3,-0.5 -0.628 40.3 -96.5-113.2 167.4 -24.6 -31.2 -0.6 49 57 A Q H 3> S+ 0 0 57 27,-0.3 4,-1.4 1,-0.2 3,-0.2 0.832 121.3 58.7 -54.9 -37.1 -28.1 -32.1 -2.0 50 58 A K H 3> S+ 0 0 164 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.909 100.8 56.0 -57.0 -45.6 -29.8 -29.6 0.4 51 59 A D H <> S+ 0 0 56 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.826 106.3 50.0 -58.3 -37.8 -27.8 -26.7 -1.1 52 60 A L H < S+ 0 0 16 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.821 104.4 58.8 -72.7 -32.7 -28.9 -27.4 -4.6 53 61 A A H < S+ 0 0 66 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.890 112.9 39.1 -59.9 -38.2 -32.6 -27.5 -3.5 54 62 A Q H < 0 0 150 -4,-1.4 -2,-0.2 0, 0.0 -1,-0.2 0.712 360.0 360.0 -94.9 -22.8 -32.3 -23.9 -2.2 55 63 A F < 0 0 173 -4,-1.6 0, 0.0 0, 0.0 0, 0.0 -0.422 360.0 360.0 -78.8 360.0 -30.2 -22.1 -4.8 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 70 A S > 0 0 114 0, 0.0 4,-0.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 170.6 -36.9 -33.2 -8.3 58 71 A I H > + 0 0 39 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.702 360.0 60.7 -89.5 -25.6 -33.2 -32.7 -7.7 59 72 A T H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.968 107.5 42.7 -60.3 -52.7 -32.9 -36.4 -6.8 60 73 A S H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.837 113.7 52.7 -66.1 -34.2 -34.1 -37.6 -10.2 61 74 A X H X S+ 0 0 28 -4,-0.6 4,-3.2 2,-0.2 5,-0.2 0.961 107.7 49.9 -66.6 -51.6 -32.0 -35.0 -12.0 62 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.892 110.4 52.1 -51.0 -42.2 -28.9 -36.0 -10.2 63 76 A Q H X S+ 0 0 110 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.928 110.4 47.5 -60.9 -47.5 -29.7 -39.6 -11.2 64 77 A G H X S+ 0 0 28 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.935 113.3 48.0 -55.1 -48.0 -30.1 -38.6 -14.8 65 78 A L H <>S+ 0 0 0 -4,-3.2 5,-2.5 1,-0.2 6,-1.1 0.841 111.0 51.3 -67.6 -32.8 -26.8 -36.7 -14.7 66 79 A E H ><5S+ 0 0 23 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.2 0.897 108.7 51.5 -64.2 -44.9 -25.1 -39.7 -13.0 67 80 A K H 3<5S+ 0 0 166 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.870 107.7 52.1 -63.2 -35.6 -26.4 -42.0 -15.8 68 81 A K T 3<5S- 0 0 78 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.490 116.8-117.1 -78.2 -2.2 -25.0 -39.6 -18.4 69 82 A G T < 5S+ 0 0 23 -3,-1.4 14,-0.4 2,-0.2 15,-0.3 0.670 85.2 114.6 75.2 18.2 -21.6 -39.8 -16.7 70 83 A Y S > - 0 0 53 -11,-2.2 4,-2.0 -2,-0.2 3,-1.2 -0.531 36.9 -92.3 -87.6 166.4 -16.8 -36.2 -13.2 82 102 A P H 3> S+ 0 0 108 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.825 129.7 59.2 -50.9 -33.8 -14.1 -35.2 -15.7 83 103 A K H 3> S+ 0 0 110 -14,-0.4 4,-1.7 2,-0.2 -13,-0.2 0.876 106.0 49.0 -60.1 -41.3 -16.8 -35.5 -18.4 84 104 A G H <> S+ 0 0 0 -3,-1.2 4,-2.0 -14,-0.5 -1,-0.2 0.926 111.4 47.5 -64.2 -46.9 -18.8 -32.8 -16.5 85 105 A A H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.919 110.4 53.3 -61.0 -44.6 -15.8 -30.5 -16.1 86 106 A A H X S+ 0 0 51 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.882 106.8 53.5 -56.2 -40.4 -15.1 -30.9 -19.9 87 107 A L H X S+ 0 0 8 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.914 106.1 50.8 -63.1 -44.8 -18.7 -29.9 -20.6 88 108 A V H X S+ 0 0 19 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.915 111.3 49.6 -58.4 -41.6 -18.3 -26.6 -18.6 89 109 A E H X S+ 0 0 94 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.891 108.4 53.6 -64.3 -37.3 -15.2 -25.9 -20.6 90 110 A E H X S+ 0 0 66 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.903 109.6 47.0 -64.0 -42.0 -17.0 -26.6 -23.9 91 111 A F H X S+ 0 0 25 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.907 107.8 55.5 -74.1 -36.9 -19.8 -24.2 -23.1 92 112 A N H X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.888 108.8 49.3 -54.2 -44.7 -17.3 -21.5 -22.1 93 113 A N H X S+ 0 0 84 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.846 105.3 56.5 -67.6 -35.5 -15.7 -21.9 -25.5 94 114 A I H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.953 108.0 48.4 -55.4 -46.6 -19.1 -21.6 -27.2 95 115 A F H X S+ 0 0 53 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.900 109.9 52.6 -66.8 -34.9 -19.6 -18.2 -25.5 96 116 A L H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.904 109.2 49.1 -60.9 -45.8 -16.1 -17.2 -26.6 97 117 A E H X S+ 0 0 145 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.903 111.6 48.9 -61.5 -41.5 -16.9 -18.1 -30.2 98 118 A V H X S+ 0 0 11 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.937 110.4 51.6 -62.0 -44.8 -20.1 -16.1 -30.0 99 119 A E H >< S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.2 4,-0.4 0.922 108.8 50.6 -56.5 -42.4 -18.2 -13.1 -28.5 100 120 A E H >< S+ 0 0 103 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.889 103.9 59.7 -68.5 -35.9 -15.7 -13.3 -31.4 101 121 A S H >< S+ 0 0 37 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.676 85.9 77.8 -63.1 -20.7 -18.6 -13.3 -33.9 102 122 A I T << S+ 0 0 0 -3,-1.1 3,-0.3 -4,-0.8 -1,-0.2 0.823 97.1 45.1 -61.3 -30.7 -19.9 -9.9 -32.7 103 123 A T T X S+ 0 0 20 -3,-1.1 3,-1.5 -4,-0.4 -1,-0.3 0.426 82.7 101.9 -93.4 0.1 -17.2 -8.1 -34.6 104 124 A K T < S+ 0 0 157 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.877 90.0 35.8 -49.8 -47.2 -17.6 -10.1 -37.8 105 125 A G T 3 S+ 0 0 39 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.3 0.341 104.9 93.5 -92.0 4.6 -19.5 -7.4 -39.6 106 126 A L < - 0 0 12 -3,-1.5 -3,-0.0 1,-0.1 2,-0.0 -0.764 67.3-130.2-107.8 147.6 -17.7 -4.5 -38.1 107 127 A T > - 0 0 73 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.232 40.1 -97.3 -76.3 174.2 -14.7 -2.4 -39.1 108 128 A K H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.962 126.3 48.5 -58.8 -50.4 -11.8 -1.7 -36.8 109 129 A D H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 109.9 51.8 -59.7 -40.6 -13.2 1.7 -35.8 110 130 A E H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 106.2 55.4 -64.1 -35.4 -16.7 0.2 -35.2 111 131 A Q H X S+ 0 0 36 -4,-1.9 4,-1.5 -3,-0.2 -2,-0.2 0.938 112.5 41.2 -63.7 -45.8 -15.1 -2.5 -32.9 112 132 A K H X S+ 0 0 55 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.945 115.5 50.1 -66.3 -46.8 -13.5 0.2 -30.7 113 133 A Q H X S+ 0 0 57 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.899 107.2 54.7 -61.9 -41.9 -16.6 2.5 -30.7 114 134 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.924 111.0 45.5 -56.5 -46.4 -18.9 -0.3 -29.8 115 135 A X H X S+ 0 0 2 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.961 114.7 46.9 -64.1 -50.8 -16.8 -1.2 -26.7 116 136 A S H X S+ 0 0 25 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.915 116.6 44.4 -54.8 -43.0 -16.5 2.5 -25.6 117 137 A I H X S+ 0 0 3 -4,-2.9 4,-3.1 -5,-0.2 5,-0.2 0.930 111.2 51.1 -76.2 -40.7 -20.2 3.2 -26.1 118 138 A L H X S+ 0 0 2 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.907 109.5 52.1 -62.2 -38.9 -21.4 0.0 -24.4 119 139 A I H X S+ 0 0 13 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.947 112.4 46.0 -58.4 -48.5 -19.2 0.8 -21.4 120 140 A K H X S+ 0 0 70 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.920 113.4 48.4 -62.1 -47.1 -20.8 4.3 -21.3 121 141 A V H >< S+ 0 0 2 -4,-3.1 3,-0.8 1,-0.2 4,-0.3 0.968 113.2 47.4 -58.4 -50.3 -24.3 3.1 -21.7 122 142 A N H >< S+ 0 0 25 -4,-2.9 3,-1.1 1,-0.3 -2,-0.2 0.866 110.2 53.3 -62.5 -33.7 -23.9 0.4 -19.0 123 143 A R H 3< S+ 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.831 102.1 60.1 -68.1 -29.6 -22.3 3.0 -16.6 124 144 A S T << 0 0 57 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.392 360.0 360.0 -84.3 1.3 -25.3 5.3 -17.0 125 145 A X < 0 0 75 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.375 360.0 360.0-147.1 360.0 -27.9 2.9 -15.6 126 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 127 7 B L > 0 0 180 0, 0.0 3,-1.0 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 -27.5 -19.4 -13.3 -16.8 128 8 B X T 3 + 0 0 63 1,-0.2 6,-0.1 6,-0.1 7,-0.1 0.485 360.0 89.3 -80.0 -1.3 -16.7 -10.6 -17.8 129 9 B D T 3 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 4,-0.0 0.681 91.3 48.2 -64.1 -18.5 -14.6 -13.1 -19.9 130 10 B T S <> S- 0 0 16 -3,-1.0 4,-2.7 1,-0.2 -1,-0.2 -0.808 79.6-173.4-121.7 88.0 -16.7 -12.1 -22.9 131 11 B P H > S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.866 77.0 42.4 -62.4 -47.6 -16.7 -8.3 -22.7 132 12 B Y H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 117.5 48.5 -59.7 -47.6 -19.2 -7.3 -25.4 133 13 B S H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 108.3 55.2 -61.0 -42.1 -21.6 -10.0 -24.5 134 14 B Y H X S+ 0 0 60 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.933 112.7 41.8 -53.1 -50.6 -21.4 -9.1 -20.8 135 15 B L H X S+ 0 0 15 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.897 112.4 52.9 -69.5 -43.1 -22.4 -5.5 -21.5 136 16 B I H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.925 115.2 41.5 -58.4 -43.8 -25.1 -6.3 -24.0 137 17 B R H X S+ 0 0 63 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.867 114.2 51.9 -73.1 -37.9 -26.7 -8.7 -21.4 138 18 B S H X S+ 0 0 22 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.944 113.6 43.6 -61.6 -49.1 -26.2 -6.3 -18.5 139 19 B I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.958 115.5 50.2 -61.1 -50.9 -27.8 -3.4 -20.4 140 20 B G H X S+ 0 0 17 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.887 111.8 46.3 -48.6 -49.6 -30.6 -5.8 -21.6 141 21 B X H X S+ 0 0 121 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.875 112.3 51.6 -68.4 -36.8 -31.3 -7.1 -18.1 142 22 B K H X S+ 0 0 69 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.891 111.9 46.4 -65.9 -41.1 -31.3 -3.5 -16.7 143 23 B L H X S+ 0 0 9 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.951 113.9 48.2 -64.4 -48.0 -33.8 -2.3 -19.3 144 24 B K H X S+ 0 0 127 -4,-2.5 4,-3.4 -5,-0.2 5,-0.2 0.833 111.4 49.7 -62.7 -35.0 -36.0 -5.3 -18.8 145 25 B T H X S+ 0 0 95 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.954 110.7 49.8 -70.2 -51.5 -35.9 -4.9 -15.0 146 26 B S H X S+ 0 0 68 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.947 119.3 39.4 -42.5 -54.0 -36.8 -1.2 -15.4 147 27 B A H X S+ 0 0 10 -4,-2.9 4,-1.7 1,-0.2 5,-0.2 0.941 113.2 51.1 -73.0 -49.0 -39.7 -2.2 -17.7 148 28 B D H X S+ 0 0 51 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.855 112.8 48.2 -55.2 -37.8 -41.0 -5.4 -15.9 149 29 B A H X S+ 0 0 50 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.902 110.9 48.3 -71.9 -43.4 -41.2 -3.5 -12.6 150 30 B R H < S+ 0 0 107 -4,-1.8 4,-0.2 -5,-0.3 -1,-0.2 0.747 118.4 42.0 -69.0 -24.5 -43.0 -0.4 -14.0 151 31 B L H ><>S+ 0 0 1 -4,-1.7 5,-1.9 -5,-0.2 3,-1.5 0.852 105.3 62.7 -85.7 -41.4 -45.6 -2.7 -15.7 152 32 B A H ><5S+ 0 0 59 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.798 94.5 62.6 -57.6 -33.9 -46.0 -5.2 -12.8 153 33 B E T 3<5S+ 0 0 160 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.832 104.9 48.3 -60.2 -30.1 -47.4 -2.4 -10.7 154 34 B L T < 5S- 0 0 95 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.139 118.7-111.8 -95.2 17.5 -50.2 -2.2 -13.2 155 35 B G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.739 84.0 116.3 55.5 25.3 -50.8 -6.0 -13.2 156 36 B L < - 0 0 16 -5,-1.9 2,-0.3 -8,-0.1 -1,-0.2 -0.623 50.3-154.8-112.4 170.9 -49.4 -6.0 -16.8 157 37 B N > - 0 0 70 -2,-0.2 4,-1.8 -3,-0.1 3,-0.2 -0.951 32.1-106.8-143.7 165.6 -46.4 -7.5 -18.5 158 38 B S H > S+ 0 0 37 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.792 114.9 57.0 -67.4 -30.1 -44.4 -6.7 -21.6 159 39 B Q H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 107.8 47.9 -67.7 -43.4 -45.8 -9.6 -23.7 160 40 B Q H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.898 112.6 50.7 -58.5 -43.9 -49.4 -8.4 -23.1 161 41 B G H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 110.8 47.0 -61.0 -49.5 -48.3 -4.9 -24.0 162 42 B R H X S+ 0 0 92 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.882 113.5 49.8 -55.2 -44.8 -46.6 -6.0 -27.2 163 43 B X H X S+ 0 0 18 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.958 112.6 45.1 -63.3 -51.6 -49.7 -8.1 -28.1 164 44 B I H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.907 113.7 51.2 -59.0 -46.0 -52.1 -5.2 -27.6 165 45 B G H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.905 109.8 49.3 -53.6 -47.2 -49.8 -2.8 -29.5 166 46 B Y H X S+ 0 0 113 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 112.7 48.0 -62.7 -42.9 -49.6 -5.3 -32.4 167 47 B I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.963 111.5 49.4 -63.0 -49.3 -53.4 -5.6 -32.5 168 48 B Y H < S+ 0 0 113 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.913 114.1 46.3 -55.2 -44.4 -53.9 -1.8 -32.3 169 49 B E H < S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.815 125.1 28.0 -68.9 -31.9 -51.4 -1.2 -35.2 170 50 B N H >X S+ 0 0 51 -4,-1.9 3,-1.8 -3,-0.3 4,-0.5 0.389 83.6 106.2-116.2 1.7 -52.7 -4.0 -37.5 171 51 B Q G >< S+ 0 0 29 -4,-1.8 3,-0.9 1,-0.3 4,-0.4 0.774 77.1 58.8 -59.1 -31.4 -56.4 -4.4 -36.7 172 52 B E G 34 S+ 0 0 187 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.673 101.5 57.5 -74.2 -16.1 -57.6 -2.6 -39.9 173 53 B S G <4 S- 0 0 107 -3,-1.8 -1,-0.3 -4,-0.0 -2,-0.2 0.600 124.7-101.6 -78.4 -20.9 -55.8 -5.2 -41.9 174 54 B G << - 0 0 23 -3,-0.9 2,-0.5 -4,-0.5 -2,-0.1 0.713 38.1-154.4 95.9 104.3 -57.8 -8.0 -40.2 175 55 B I - 0 0 3 34,-0.4 34,-2.6 -4,-0.4 2,-0.3 -0.946 11.3-175.6-112.4 125.8 -56.1 -9.9 -37.3 176 56 B I >> - 0 0 28 -2,-0.5 4,-1.1 32,-0.2 3,-0.9 -0.750 43.0-102.7-110.3 167.0 -57.2 -13.5 -36.4 177 57 B Q H >> S+ 0 0 61 30,-0.3 4,-2.2 -2,-0.3 3,-0.9 0.906 119.4 62.2 -56.5 -40.6 -55.9 -15.6 -33.5 178 58 B K H 3> S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.861 99.2 53.5 -47.1 -46.3 -53.8 -17.6 -36.0 179 59 B D H <4 S+ 0 0 72 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.806 108.5 50.5 -64.1 -30.1 -51.7 -14.4 -36.9 180 60 B L H << S+ 0 0 16 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.938 106.3 54.4 -74.8 -47.5 -50.9 -13.8 -33.3 181 61 B A H < 0 0 65 -4,-2.2 -2,-0.2 5,-0.0 -1,-0.2 0.916 360.0 360.0 -43.9 -51.1 -49.8 -17.4 -32.7 182 62 B Q < 0 0 186 -4,-1.9 -3,-0.0 0, 0.0 0, 0.0 -0.001 360.0 360.0 -84.5 360.0 -47.2 -17.1 -35.6 183 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 184 69 B A 0 0 101 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.7 -46.9 -17.7 -22.5 185 70 B S > - 0 0 74 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.531 360.0-161.9 -69.7 120.1 -50.2 -19.1 -23.7 186 71 B I H > S+ 0 0 39 -2,-0.4 4,-2.9 2,-0.2 5,-0.3 0.878 90.8 54.2 -66.3 -41.3 -51.7 -16.8 -26.4 187 72 B T H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.955 112.4 44.5 -59.7 -47.2 -55.2 -18.2 -25.9 188 73 B S H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 113.2 50.1 -62.6 -41.0 -55.0 -17.4 -22.2 189 74 B X H X S+ 0 0 17 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.929 112.6 46.9 -69.0 -40.3 -53.5 -14.0 -22.8 190 75 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.895 111.1 50.9 -64.6 -43.5 -56.2 -13.1 -25.4 191 76 B Q H X S+ 0 0 113 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.886 111.1 50.8 -59.8 -37.1 -59.0 -14.3 -23.1 192 77 B G H X S+ 0 0 29 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.963 110.5 46.3 -66.4 -51.4 -57.5 -12.2 -20.3 193 78 B L H <>S+ 0 0 3 -4,-2.5 5,-2.5 1,-0.2 6,-0.8 0.903 115.7 48.3 -57.2 -40.6 -57.4 -9.0 -22.4 194 79 B E H ><5S+ 0 0 77 -4,-2.6 3,-1.3 4,-0.2 -1,-0.2 0.930 109.7 50.8 -67.4 -40.6 -60.9 -9.7 -23.6 195 80 B K H 3<5S+ 0 0 184 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.6 52.3 -67.0 -34.8 -62.2 -10.3 -20.1 196 81 B K T 3<5S- 0 0 111 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.449 119.3-111.2 -81.7 -1.9 -60.7 -7.1 -18.8 197 82 B G T < 5S+ 0 0 26 -3,-1.3 18,-0.4 -4,-0.3 17,-0.3 0.698 85.5 116.1 87.0 21.3 -62.4 -5.2 -21.6 198 83 B Y S > - 0 0 48 -14,-2.7 4,-2.3 -2,-0.3 3,-0.8 -0.648 33.0 -96.6 -88.7 167.6 -61.5 -1.4 -27.5 213 102 B P H 3> S+ 0 0 108 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.885 126.6 54.0 -54.5 -40.7 -61.1 2.2 -26.3 214 103 B K H 3> S+ 0 0 120 -17,-0.3 4,-1.8 1,-0.2 -16,-0.2 0.885 111.3 47.6 -57.1 -35.9 -60.0 1.1 -22.8 215 104 B G H <> S+ 0 0 0 -3,-0.8 4,-2.4 -18,-0.4 -1,-0.2 0.886 107.5 54.3 -74.4 -37.9 -57.3 -1.0 -24.6 216 105 B A H X S+ 0 0 27 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.924 108.8 49.6 -60.4 -43.7 -56.2 1.9 -26.8 217 106 B A H X S+ 0 0 61 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.924 111.6 49.4 -59.0 -42.4 -55.7 4.0 -23.6 218 107 B L H X S+ 0 0 24 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.862 103.8 58.5 -66.2 -38.6 -53.6 1.1 -22.2 219 108 B V H X S+ 0 0 7 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.915 105.8 51.6 -54.0 -42.9 -51.5 0.8 -25.4 220 109 B E H X S+ 0 0 123 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.917 108.6 47.8 -67.6 -42.1 -50.5 4.4 -24.8 221 110 B E H X S+ 0 0 119 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.929 113.3 50.0 -64.0 -42.4 -49.4 3.9 -21.2 222 111 B F H >X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 3,-0.5 0.969 111.1 49.4 -51.9 -59.8 -47.4 0.7 -22.3 223 112 B N H 3X S+ 0 0 60 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.860 107.4 53.7 -52.3 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-0.858 68.9-127.0-113.1 140.6 -24.4 9.8 -25.1 238 127 B T > - 0 0 73 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.262 38.7-103.4 -63.7 159.8 -23.4 12.6 -27.6 239 128 B K H > S+ 0 0 176 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.889 124.6 51.4 -53.7 -38.8 -25.4 12.8 -30.8 240 129 B D H > S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.939 108.1 50.4 -67.8 -42.4 -22.4 11.2 -32.7 241 130 B E H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 109.6 52.2 -61.1 -39.0 -22.2 8.3 -30.2 242 131 B Q H X S+ 0 0 48 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.892 111.0 46.7 -62.8 -40.3 -26.0 7.7 -30.7 243 132 B K H X S+ 0 0 136 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 113.7 48.3 -69.7 -44.0 -25.6 7.6 -34.5 244 133 B Q H X S+ 0 0 37 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.939 111.1 50.7 -61.8 -43.9 -22.6 5.3 -34.2 245 134 B L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.890 110.6 48.4 -63.7 -41.8 -24.4 2.9 -31.8 246 135 B X H X S+ 0 0 49 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.954 113.5 46.9 -62.3 -49.1 -27.5 2.6 -34.0 247 136 B S H X S+ 0 0 52 -4,-2.2 4,-1.7 1,-0.2 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383 139 C I H X S+ 0 0 84 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.942 111.1 45.9 -60.3 -49.0 7.5 18.9 -5.1 384 140 C K H X S+ 0 0 128 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.907 114.3 47.7 -61.0 -44.5 9.6 20.3 -2.2 385 141 C V H < S+ 0 0 55 -4,-2.9 3,-0.4 2,-0.2 4,-0.3 0.975 113.9 46.3 -64.0 -50.0 8.5 17.5 0.2 386 142 C N H >< S+ 0 0 123 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.873 112.8 50.0 -60.8 -38.4 9.1 14.7 -2.3 387 143 C R H 3< S+ 0 0 179 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 103.6 61.6 -67.7 -32.6 12.5 16.1 -3.2 388 144 C S T 3< 0 0 93 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.438 360.0 360.0 -75.1 -2.1 13.5 16.4 0.5 389 145 C X < 0 0 198 -3,-1.0 0, 0.0 -4,-0.3 0, 0.0 -0.857 360.0 360.0-147.3 360.0 13.2 12.6 1.2