==== 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 10-JUN-09 3HSE . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR SARZ; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR C.B.POOR,E.DUGUID,P.A.RICE,C.HE . 237 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 79.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 0 0 2 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 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 3 A G > 0 0 84 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-123.5 -8.2 8.5 -49.3 2 4 A S H > + 0 0 64 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.882 360.0 49.5 -62.5 -42.8 -8.6 4.8 -48.5 3 5 A H H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 115.5 46.2 -64.2 -36.8 -7.6 5.2 -44.8 4 6 A M H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 112.6 51.5 -67.2 -44.7 -10.2 8.1 -44.7 5 7 A Y H X S+ 0 0 125 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.938 111.1 44.8 -58.6 -52.3 -12.7 5.9 -46.6 6 8 A L H X S+ 0 0 24 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.864 112.1 51.6 -62.8 -38.4 -12.4 2.9 -44.3 7 9 A S H X S+ 0 0 8 -4,-1.8 4,-3.3 -5,-0.2 -1,-0.2 0.946 108.7 51.7 -61.9 -50.1 -12.6 5.0 -41.1 8 10 A K H X S+ 0 0 66 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.973 112.6 47.1 -46.7 -62.4 -15.7 6.7 -42.4 9 11 A Q H X S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.857 112.6 46.6 -47.4 -52.1 -17.1 3.2 -43.0 10 12 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.910 113.4 51.5 -59.6 -44.1 -16.2 1.8 -39.5 11 13 A C H X S+ 0 0 7 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.982 113.2 41.4 -55.4 -64.8 -17.5 4.9 -37.9 12 14 A F H X S+ 0 0 66 -4,-2.6 4,-3.7 1,-0.2 5,-0.3 0.915 117.2 49.6 -50.8 -50.0 -20.9 4.8 -39.6 13 15 A L H X S+ 0 0 10 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.851 111.8 46.7 -60.9 -39.2 -21.2 1.0 -39.2 14 16 A F H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.923 117.8 43.7 -69.6 -43.2 -20.4 1.1 -35.5 15 17 A Y H X S+ 0 0 7 -4,-2.7 4,-1.1 -5,-0.3 -2,-0.2 0.989 117.7 43.6 -62.5 -61.4 -22.8 3.9 -34.9 16 18 A V H X S+ 0 0 7 -4,-3.7 4,-1.6 -5,-0.2 3,-0.4 0.883 115.1 50.8 -52.2 -41.7 -25.5 2.4 -37.1 17 19 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.916 107.9 49.3 -67.7 -42.8 -25.0 -1.1 -35.6 18 20 A S H X S+ 0 0 16 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.680 108.7 57.0 -72.0 -10.7 -25.1 -0.0 -31.9 19 21 A K H X S+ 0 0 49 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.864 106.6 46.8 -82.7 -41.3 -28.3 1.8 -32.7 20 22 A E H X S+ 0 0 39 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.910 115.0 48.5 -66.5 -40.6 -30.0 -1.3 -34.1 21 23 A I H >X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 3,-0.9 0.975 112.7 43.9 -64.6 -56.9 -28.9 -3.2 -31.0 22 24 A I H 3X S+ 0 0 48 -4,-1.8 4,-2.6 1,-0.3 3,-0.2 0.919 108.5 60.8 -56.1 -42.2 -29.9 -0.8 -28.3 23 25 A K H 3X S+ 0 0 134 -4,-2.0 4,-1.0 1,-0.2 -1,-0.3 0.854 107.0 46.0 -52.0 -37.6 -33.2 -0.3 -30.2 24 26 A K H < S+ 0 0 91 -4,-1.0 3,-2.1 1,-0.2 4,-0.3 0.998 118.0 42.3 -60.9 -71.8 -38.3 -3.4 -26.4 28 30 A Y H >< S+ 0 0 67 -4,-1.4 3,-1.1 1,-0.3 4,-0.3 0.712 105.8 64.0 -47.9 -31.3 -37.4 -6.5 -24.4 29 31 A L H ><>S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.2 5,-1.0 0.783 80.1 81.8 -70.3 -23.1 -36.2 -4.5 -21.4 30 32 A K T <<5S+ 0 0 163 -3,-2.1 -1,-0.2 -4,-0.7 -2,-0.2 0.748 77.4 71.8 -52.5 -25.2 -39.7 -3.2 -20.8 31 33 A E T < 5S+ 0 0 135 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.2 0.932 106.9 36.7 -56.3 -46.6 -40.5 -6.5 -19.1 32 34 A Y T < 5S- 0 0 25 -3,-1.6 2,-0.7 -4,-0.3 0, 0.0 -0.494 104.5-107.4 -94.5 168.7 -38.2 -5.3 -16.2 33 35 A D T 5S+ 0 0 156 -2,-0.2 2,-0.2 42,-0.1 -3,-0.1 -0.275 79.5 132.2 -95.3 55.6 -38.3 -1.6 -15.4 34 36 A L < - 0 0 18 -5,-1.0 2,-0.3 -2,-0.7 -2,-0.1 -0.679 50.7-146.7-109.3 157.9 -34.9 -1.3 -17.0 35 37 A T > - 0 0 79 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.730 39.6-103.4-109.8 161.2 -33.1 0.9 -19.5 36 38 A Y H > S+ 0 0 26 -2,-0.3 4,-1.7 1,-0.2 3,-0.4 0.935 125.1 41.4 -52.0 -52.5 -30.4 -0.5 -21.8 37 39 A T H > S+ 0 0 52 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.892 110.1 57.3 -64.0 -40.8 -27.6 1.0 -19.7 38 40 A G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.811 108.5 51.6 -59.0 -26.2 -29.4 0.0 -16.5 39 41 A Y H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.4 -2,-0.2 0.863 106.8 47.4 -79.3 -40.4 -29.2 -3.4 -18.1 40 42 A I H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.931 110.4 57.0 -66.6 -39.9 -25.5 -3.5 -18.8 41 43 A V H X S+ 0 0 0 -4,-2.8 4,-4.1 1,-0.2 5,-0.3 0.950 110.2 42.3 -50.4 -56.8 -25.0 -2.2 -15.3 42 44 A L H X S+ 0 0 21 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.918 113.1 51.7 -58.4 -48.3 -26.9 -5.2 -13.9 43 45 A M H X S+ 0 0 14 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.812 118.0 40.7 -58.6 -30.4 -25.1 -7.6 -16.3 44 46 A A H X S+ 0 0 8 -4,-2.5 4,-2.4 -3,-0.3 5,-0.3 0.903 108.7 56.7 -81.5 -49.2 -21.8 -6.1 -15.0 45 47 A I H < S+ 0 0 65 -4,-4.1 4,-0.3 1,-0.3 -2,-0.2 0.729 113.0 47.6 -54.0 -20.9 -22.8 -5.8 -11.3 46 48 A E H < S+ 0 0 40 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.801 107.2 51.2 -93.0 -34.4 -23.3 -9.5 -11.8 47 49 A N H < S+ 0 0 100 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.1 0.823 126.8 23.4 -66.8 -33.2 -20.1 -10.4 -13.6 48 50 A D < 0 0 63 -4,-2.4 -3,-0.2 -5,-0.0 -2,-0.1 0.903 360.0 360.0-102.2 -69.9 -18.0 -8.6 -10.9 49 51 A E 0 0 145 -5,-0.3 -3,-0.1 -4,-0.3 -4,-0.0 0.785 360.0 360.0 59.8 360.0 -19.9 -8.4 -7.5 50 ! 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 51 54 A N > 0 0 138 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.6 -16.8 -1.1 -6.0 52 55 A I H > + 0 0 98 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.827 360.0 41.8 -56.8 -40.8 -18.9 1.9 -7.2 53 56 A K H 4 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.701 113.8 54.1 -82.3 -16.8 -16.0 3.9 -8.7 54 57 A K H > S+ 0 0 102 -3,-0.4 4,-1.8 2,-0.1 -2,-0.2 0.655 108.3 53.6 -83.2 -16.7 -14.6 0.7 -10.1 55 58 A L H X S+ 0 0 12 -4,-1.1 4,-2.8 2,-0.2 5,-0.5 0.951 99.5 55.3 -82.0 -56.1 -18.1 0.2 -11.7 56 59 A G H <>S+ 0 0 12 -4,-2.0 5,-2.3 1,-0.2 4,-0.3 0.701 113.9 49.2 -42.3 -20.7 -18.4 3.5 -13.5 57 60 A E H 45S+ 0 0 133 3,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.912 110.9 41.7 -93.0 -52.6 -15.1 2.3 -15.0 58 61 A R H <5S+ 0 0 72 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.743 128.4 36.5 -63.2 -23.4 -15.9 -1.2 -16.1 59 62 A V T <5S- 0 0 0 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.563 106.8-131.6-110.8 -15.9 -19.2 0.2 -17.3 60 63 A F T 5 + 0 0 44 -5,-0.5 2,-0.3 -4,-0.3 -3,-0.2 0.958 54.3 133.5 74.7 56.3 -17.9 3.5 -18.5 61 64 A L < - 0 0 30 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.989 60.1-106.5-143.7 145.8 -20.3 6.0 -16.9 62 65 A D >> - 0 0 114 -2,-0.3 3,-4.4 1,-0.2 4,-1.9 -0.563 25.4-133.7 -73.5 128.3 -20.1 9.3 -15.0 63 66 A S H 3> S+ 0 0 63 -2,-0.3 4,-0.6 1,-0.3 -1,-0.2 0.426 110.5 67.9 -63.5 7.5 -21.0 8.7 -11.4 64 67 A G H 34 S+ 0 0 63 2,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.453 112.3 29.9 -99.1 -7.0 -23.1 11.8 -12.0 65 68 A T H <> S+ 0 0 75 -3,-4.4 4,-0.7 2,-0.1 -2,-0.3 0.483 121.3 52.8-121.6 -20.1 -25.1 9.5 -14.2 66 69 A L H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.1 5,-0.3 0.784 93.2 70.4 -88.9 -34.1 -24.5 6.3 -12.3 67 70 A T H X S+ 0 0 63 -4,-0.6 4,-1.3 -5,-0.2 -1,-0.1 0.933 100.6 45.3 -51.6 -52.6 -25.5 7.4 -8.9 68 71 A P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.971 112.8 53.8 -55.2 -55.0 -29.3 7.6 -9.7 69 72 A L H X S+ 0 0 24 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.819 105.2 46.0 -46.6 -57.1 -29.2 4.3 -11.5 70 73 A L H < S+ 0 0 44 -4,-1.9 -1,-0.2 2,-0.2 -3,-0.1 0.841 108.4 59.4 -53.1 -41.6 -27.7 1.9 -8.9 71 74 A K H < S+ 0 0 161 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.993 108.7 44.3 -53.4 -63.7 -30.0 3.3 -6.2 72 75 A K H < 0 0 150 -4,-1.8 4,-0.3 1,-0.3 -2,-0.2 0.920 360.0 360.0 -41.1 -74.7 -33.0 2.3 -8.2 73 76 A L < 0 0 24 -4,-1.9 -1,-0.3 2,-0.2 4,-0.3 0.467 360.0 360.0 -29.9 360.0 -31.8 -1.2 -9.2 74 ! 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 75 79 A K 0 0 77 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -13.6 -35.7 -2.4 -7.1 76 80 A D 0 0 86 -4,-0.3 5,-0.5 1,-0.2 6,-0.4 0.400 360.0 360.0 68.2 -3.8 -34.3 -5.3 -5.2 77 81 A Y 0 0 48 -4,-0.3 5,-0.3 -5,-0.2 -1,-0.2 0.008 360.0 360.0 -48.6 360.0 -32.9 -6.6 -8.5 78 ! 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 79 99 A T 0 0 87 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0-141.1 -29.5 -9.2 -4.6 80 100 A E > + 0 0 132 -4,-0.2 4,-1.5 2,-0.1 -3,-0.1 0.825 360.0 39.0 -91.5 -41.4 -31.1 -12.6 -4.2 81 101 A Q H > S+ 0 0 91 -5,-0.5 4,-1.5 2,-0.2 -4,-0.1 0.640 107.9 63.8 -84.1 -15.1 -33.8 -12.2 -6.8 82 102 A G H 4 S+ 0 0 8 -6,-0.4 -1,-0.2 -5,-0.3 -2,-0.1 0.779 107.5 45.1 -73.8 -25.9 -31.5 -10.4 -9.1 83 103 A K H >4 S+ 0 0 108 2,-0.2 3,-1.3 -4,-0.2 4,-0.3 0.889 112.1 48.9 -79.9 -44.7 -29.6 -13.7 -9.1 84 104 A A H 3< S+ 0 0 80 -4,-1.5 3,-0.4 1,-0.3 -2,-0.2 0.793 114.0 48.2 -64.2 -27.6 -32.7 -15.7 -9.6 85 105 A I T 3X S+ 0 0 30 -4,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.405 85.1 99.7 -92.2 0.9 -33.6 -13.4 -12.4 86 106 A K H <> S+ 0 0 45 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.754 79.7 47.2 -62.3 -28.9 -30.1 -13.6 -13.9 87 107 A S H > S+ 0 0 66 -3,-0.4 4,-3.0 -4,-0.3 -1,-0.2 0.866 109.5 49.1 -84.2 -37.6 -31.0 -16.2 -16.7 88 108 A P H > S+ 0 0 53 0, 0.0 4,-1.0 0, 0.0 -2,-0.2 0.907 114.4 51.8 -64.6 -33.3 -34.1 -14.6 -18.1 89 109 A L H >X S+ 0 0 7 -4,-1.8 3,-1.6 1,-0.2 4,-0.7 0.982 109.0 47.4 -58.9 -59.7 -31.9 -11.5 -18.1 90 110 A A H >X S+ 0 0 8 -4,-2.1 3,-1.4 1,-0.3 4,-0.8 0.892 105.3 60.7 -48.1 -47.7 -29.2 -13.3 -20.0 91 111 A E H 3X S+ 0 0 90 -4,-3.0 4,-3.2 1,-0.3 -1,-0.3 0.741 90.3 69.0 -56.9 -26.9 -31.8 -14.6 -22.4 92 112 A I H < S+ 0 0 0 -4,-2.8 3,-1.5 -5,-0.2 -2,-0.2 0.963 113.7 44.1 -68.5 -57.3 -31.8 -9.6 -29.2 97 117 A F H >< S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.3 5,-0.4 0.719 105.4 65.5 -66.2 -17.1 -28.8 -10.9 -31.1 98 118 A N G >< S+ 0 0 74 -4,-1.6 3,-1.4 1,-0.2 -1,-0.3 0.739 88.0 67.9 -75.9 -20.6 -31.0 -13.6 -32.7 99 119 A E G < S+ 0 0 79 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.474 89.9 64.7 -75.4 -2.7 -33.0 -10.9 -34.5 100 120 A F G < S- 0 0 17 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.300 99.0-139.7-100.5 5.1 -29.8 -10.2 -36.6 101 121 A N < + 0 0 148 -3,-1.4 2,-0.3 1,-0.1 -3,-0.1 0.838 45.1 152.8 35.1 63.2 -30.0 -13.7 -38.1 102 122 A I - 0 0 32 -5,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.878 45.3-108.3-119.5 152.6 -26.3 -14.4 -38.0 103 123 A S > - 0 0 34 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.195 29.4-112.7 -70.7 169.0 -24.4 -17.7 -37.7 104 124 A E H > S+ 0 0 106 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.605 118.1 53.1 -77.3 -13.5 -22.6 -18.7 -34.5 105 125 A R H > S+ 0 0 194 2,-0.2 4,-2.4 3,-0.1 3,-0.4 0.927 110.1 43.4 -83.3 -56.9 -19.3 -18.4 -36.4 106 126 A E H > S+ 0 0 67 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.910 110.7 60.3 -53.7 -40.7 -19.9 -14.8 -37.6 107 127 A A H X S+ 0 0 8 -4,-1.8 4,-1.1 1,-0.2 -1,-0.3 0.913 108.9 40.7 -53.3 -46.4 -21.1 -14.3 -34.1 108 128 A S H X S+ 0 0 42 -4,-0.9 4,-2.0 -3,-0.4 -1,-0.2 0.773 109.8 59.8 -74.9 -27.1 -17.7 -15.3 -32.8 109 129 A D H X S+ 0 0 66 -4,-2.4 4,-2.6 2,-0.2 3,-0.3 0.957 101.8 52.3 -63.1 -50.7 -15.9 -13.3 -35.6 110 130 A I H X S+ 0 0 2 -4,-2.8 4,-3.7 1,-0.3 -1,-0.2 0.886 109.9 51.0 -52.8 -38.3 -17.6 -10.1 -34.4 111 131 A I H X S+ 0 0 5 -4,-1.1 4,-0.7 -5,-0.2 -1,-0.3 0.867 107.8 50.7 -67.8 -37.7 -16.2 -11.0 -31.0 112 132 A N H < S+ 0 0 79 -4,-2.0 4,-0.5 -3,-0.3 -2,-0.2 0.883 118.1 40.8 -66.6 -35.1 -12.7 -11.6 -32.4 113 133 A N H >< S+ 0 0 16 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.923 108.2 58.1 -76.3 -51.1 -12.9 -8.2 -34.1 114 134 A L H >< S+ 0 0 2 -4,-3.7 3,-0.6 -5,-0.2 -1,-0.2 0.611 94.4 70.4 -59.4 -10.3 -14.6 -6.3 -31.2 115 135 A R G >X S+ 0 0 107 -4,-0.7 3,-2.6 1,-0.2 4,-1.6 0.878 79.9 70.3 -75.4 -37.9 -11.7 -7.2 -28.9 116 136 A N G <4 S+ 0 0 42 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.669 94.8 60.7 -53.2 -13.6 -9.2 -4.9 -30.6 117 137 A F G <4 S+ 0 0 0 -3,-0.6 -1,-0.3 -4,-0.3 22,-0.2 0.018 110.0 38.7-103.2 24.7 -11.3 -2.1 -29.1 118 138 A V T <4 0 0 75 -3,-2.6 -2,-0.2 105,-0.1 -1,-0.1 0.384 360.0 360.0-142.1 -20.9 -10.6 -3.4 -25.6 119 139 A S < 0 0 134 -4,-1.6 -3,-0.1 104,-0.1 -2,-0.1 0.527 360.0 360.0 -94.6 360.0 -6.9 -4.4 -26.0 120 !* 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 0.0 121 4 B S >> 0 0 103 0, 0.0 4,-2.6 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -78.0 -22.9 -21.4 -26.7 122 5 B H H 3> + 0 0 86 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.781 360.0 45.7 -46.6 -39.1 -26.1 -19.5 -27.4 123 6 B M H 34 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.929 120.2 37.2 -64.9 -47.1 -26.2 -18.1 -23.9 124 7 B Y H <> S+ 0 0 179 -3,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.579 115.3 53.4 -93.4 -11.8 -22.5 -17.1 -23.6 125 8 B L H >X S+ 0 0 39 -4,-2.6 4,-2.3 2,-0.2 3,-1.0 0.942 109.7 45.8 -79.5 -62.2 -22.1 -15.9 -27.2 126 9 B S H 3X S+ 0 0 9 -4,-1.4 4,-0.8 1,-0.3 -2,-0.2 0.650 114.5 53.4 -54.3 -15.7 -25.1 -13.5 -27.2 127 10 B K H 3> S+ 0 0 36 -4,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.803 107.5 47.3 -90.1 -34.9 -23.6 -12.4 -23.8 128 11 B Q H X S+ 0 0 27 -4,-1.7 4,-1.7 2,-0.2 3,-0.9 0.915 115.4 51.6 -64.2 -43.5 -12.0 9.0 -28.2 144 27 B Y H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.974 104.0 59.8 -53.7 -55.0 -14.2 10.7 -30.7 145 28 B T H 3< S+ 0 0 60 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.683 105.0 48.8 -45.6 -30.8 -15.5 12.9 -27.8 146 29 B N H X< S+ 0 0 80 -4,-0.9 3,-1.9 -3,-0.9 4,-0.5 0.954 112.8 44.4 -78.0 -54.6 -12.0 14.3 -27.1 147 30 B Y H >< S+ 0 0 88 -4,-1.7 3,-1.4 1,-0.3 4,-0.3 0.931 107.4 61.2 -54.3 -45.8 -11.1 15.1 -30.7 148 31 B L G ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.3 3,-0.6 0.507 84.4 80.3 -62.6 -3.1 -14.6 16.7 -31.2 149 32 B K G X 5S+ 0 0 135 -3,-1.9 3,-1.9 -5,-0.2 -1,-0.3 0.927 79.6 65.6 -67.6 -45.6 -13.8 19.2 -28.4 150 33 B E G < 5S+ 0 0 160 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.714 114.4 33.2 -47.5 -22.5 -11.8 21.3 -30.9 151 34 B Y G < 5S- 0 0 27 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.408 109.8-118.5-116.3 -2.0 -15.1 21.9 -32.6 152 35 B D T < 5 + 0 0 112 -3,-1.9 2,-0.3 -4,-0.4 -3,-0.2 0.960 65.5 145.1 58.9 54.8 -17.5 21.9 -29.6 153 36 B L < - 0 0 18 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.2 -0.916 49.7-133.0-126.3 151.4 -19.3 18.9 -30.9 154 37 B T > - 0 0 59 -2,-0.3 4,-2.9 1,-0.1 5,-0.1 -0.709 32.5-115.6 -94.6 149.8 -21.0 15.8 -29.5 155 38 B Y H > S+ 0 0 17 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.912 122.6 51.0 -50.9 -43.2 -20.2 12.5 -31.1 156 39 B T H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.915 108.1 51.8 -61.1 -42.6 -23.8 12.4 -32.1 157 40 B G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.917 108.2 52.2 -58.5 -44.2 -23.5 15.9 -33.5 158 41 B Y H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.953 107.6 51.1 -54.2 -55.5 -20.5 14.6 -35.5 159 42 B I H X S+ 0 0 10 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.892 107.8 52.7 -50.4 -49.0 -22.4 11.7 -37.0 160 43 B V H X S+ 0 0 1 -4,-2.3 4,-3.5 2,-0.2 3,-0.3 0.939 109.6 49.4 -55.7 -47.6 -25.2 14.0 -38.1 161 44 B L H X S+ 0 0 18 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.966 107.9 51.5 -54.8 -59.1 -22.7 16.2 -39.9 162 45 B M H X S+ 0 0 23 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.770 115.7 44.2 -48.5 -32.3 -21.0 13.4 -41.7 163 46 B A H >X S+ 0 0 5 -4,-1.6 4,-1.6 -3,-0.3 3,-1.2 0.944 111.1 52.2 -77.9 -55.0 -24.5 12.3 -42.8 164 47 B I H 3X S+ 0 0 27 -4,-3.5 4,-2.2 1,-0.3 -2,-0.2 0.853 109.1 52.1 -44.4 -41.2 -25.6 15.8 -43.8 165 48 B E H 3< S+ 0 0 38 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.725 106.3 51.4 -80.6 -23.1 -22.5 16.3 -45.9 166 49 B N H << S+ 0 0 65 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.764 128.5 20.0 -81.3 -28.0 -22.9 13.1 -47.9 167 50 B D H < S- 0 0 57 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.827 85.6-167.4-104.6 -57.8 -26.6 13.9 -48.8 168 51 B E < + 0 0 76 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.795 66.4 33.1 66.1 115.1 -27.1 17.6 -48.3 169 52 B K S S+ 0 0 207 1,-0.2 2,-0.4 -5,-0.1 -4,-0.0 0.901 79.9 153.7 83.7 44.1 -30.6 19.0 -48.3 170 53 B L - 0 0 44 -6,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.884 47.3-109.2-112.1 135.8 -32.4 16.0 -46.8 171 54 B N > - 0 0 76 -2,-0.4 4,-2.2 1,-0.2 5,-0.3 -0.153 35.8-107.8 -53.0 151.5 -35.7 16.1 -44.8 172 55 B I H > S+ 0 0 72 1,-0.2 4,-1.0 3,-0.2 -1,-0.2 0.566 122.9 64.0 -59.8 -2.3 -35.3 15.4 -41.1 173 56 B K H > S+ 0 0 139 2,-0.2 4,-2.2 3,-0.2 5,-0.3 0.948 103.2 36.3 -86.3 -62.4 -37.0 12.2 -42.4 174 57 B K H > S+ 0 0 112 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.792 130.5 39.8 -62.1 -24.4 -34.3 10.8 -44.7 175 58 B L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.929 112.3 50.5 -87.3 -58.4 -31.8 12.1 -42.2 176 59 B G H <>S+ 0 0 5 -4,-1.0 5,-3.4 -5,-0.3 -3,-0.2 0.806 117.9 44.1 -50.7 -30.7 -33.6 11.3 -38.9 177 60 B E H ><5S+ 0 0 137 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.909 109.8 52.8 -80.9 -45.7 -34.0 7.8 -40.2 178 61 B R H 3<5S+ 0 0 74 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.722 117.6 40.1 -63.5 -20.2 -30.5 7.4 -41.6 179 62 B V T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.292 110.1-123.4-109.2 7.2 -29.2 8.5 -38.2 180 63 B F T < 5 + 0 0 76 -3,-1.5 2,-0.4 -5,-0.2 -3,-0.2 0.937 62.2 139.8 51.0 57.0 -31.7 6.5 -36.2 181 64 B L < - 0 0 31 -5,-3.4 -1,-0.2 -6,-0.1 2,-0.2 -0.992 53.1-121.3-132.6 137.4 -33.1 9.4 -34.3 182 65 B D >> - 0 0 102 -2,-0.4 4,-2.0 1,-0.1 3,-1.5 -0.515 33.9-109.9 -75.7 144.9 -36.6 10.3 -33.3 183 66 B S H 3> S+ 0 0 85 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.684 116.5 66.0 -44.5 -20.5 -37.9 13.7 -34.6 184 67 B G H 34 S+ 0 0 45 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.907 107.9 31.1 -72.9 -45.1 -37.7 14.7 -30.9 185 68 B T H <> S+ 0 0 76 -3,-1.5 4,-1.4 2,-0.1 -2,-0.2 0.816 117.1 56.9 -83.4 -32.6 -33.9 14.5 -30.4 186 69 B L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.884 98.6 59.1 -67.7 -41.3 -32.9 15.5 -33.9 187 70 B T H X S+ 0 0 51 -4,-1.2 4,-2.7 -5,-0.3 5,-0.2 0.958 107.8 44.6 -54.7 -55.1 -34.7 18.8 -34.0 188 71 B P H > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.864 115.3 48.9 -59.0 -36.7 -32.9 20.3 -31.0 189 72 B L H X S+ 0 0 16 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.844 109.5 51.6 -72.8 -33.5 -29.5 18.9 -32.3 190 73 B L H X S+ 0 0 22 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.960 111.1 48.1 -65.2 -48.0 -30.2 20.4 -35.7 191 74 B K H >X S+ 0 0 146 -4,-2.7 4,-1.9 -5,-0.2 3,-0.5 0.931 113.0 48.9 -54.3 -49.7 -31.0 23.7 -34.1 192 75 B K H >X S+ 0 0 89 -4,-2.4 4,-2.6 1,-0.3 3,-0.5 0.961 108.4 50.9 -56.0 -57.2 -27.8 23.5 -32.1 193 76 B L H 3<>S+ 0 0 1 -4,-3.0 5,-2.3 1,-0.3 6,-1.2 0.732 109.5 56.9 -54.7 -20.1 -25.6 22.6 -35.1 194 77 B E H X<5S+ 0 0 61 -4,-1.2 3,-1.1 -3,-0.5 -1,-0.3 0.889 103.6 46.7 -80.8 -41.5 -27.2 25.6 -36.6 195 78 B K H <<5S+ 0 0 199 -4,-1.9 -2,-0.2 -3,-0.5 -3,-0.1 0.944 107.4 59.7 -62.8 -41.1 -26.2 28.1 -34.0 196 79 B K T 3<5S- 0 0 70 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.700 114.8-131.7 -54.2 -18.9 -22.8 26.5 -34.4 197 80 B D T < 5S+ 0 0 64 -3,-1.1 8,-0.3 2,-0.4 7,-0.2 0.900 79.0 112.4 64.0 46.1 -23.3 27.7 -37.9 198 81 B Y S 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 167.2 -22.8 26.4 -44.0 203 100 B E T 4 + 0 0 149 1,-0.2 4,-0.4 2,-0.2 -5,-0.1 0.849 360.0 47.1 -69.1 -32.8 -19.9 27.4 -46.2 204 101 B Q T >> S+ 0 0 92 -7,-0.2 4,-1.1 2,-0.2 3,-0.8 0.866 108.2 58.3 -73.8 -34.7 -17.6 27.2 -43.1 205 102 B G G >4 S+ 0 0 14 -8,-0.3 3,-1.3 1,-0.3 4,-0.2 0.970 103.9 48.9 -55.7 -56.7 -19.2 23.8 -42.3 206 103 B K G 3< S+ 0 0 127 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.633 103.0 68.2 -58.7 -13.9 -18.2 22.4 -45.7 207 104 B A G X4 S+ 0 0 68 -3,-0.8 3,-0.6 -4,-0.4 -1,-0.3 0.883 100.1 43.8 -73.4 -41.0 -14.7 23.8 -44.9 208 105 B I T S+ 0 0 105 -3,-0.5 4,-1.9 -4,-0.2 -1,-0.2 0.865 85.0 48.7 -58.1 -35.7 -15.3 18.3 -43.9 210 107 B S H <> S+ 0 0 75 -3,-0.6 4,-2.5 -4,-0.2 -1,-0.2 0.957 112.9 42.1 -70.7 -55.8 -11.7 17.3 -44.3 211 108 B P H > S+ 0 0 44 0, 0.0 4,-0.8 0, 0.0 -2,-0.2 0.841 116.6 51.1 -63.6 -30.6 -10.4 17.8 -40.7 212 109 B L H >X S+ 0 0 7 -4,-2.5 3,-0.9 2,-0.2 4,-0.6 0.927 109.7 47.9 -69.5 -46.8 -13.6 16.2 -39.4 213 110 B A H >X S+ 0 0 14 -4,-1.9 3,-2.0 -5,-0.3 4,-0.7 0.925 105.1 62.3 -57.1 -43.6 -13.2 13.2 -41.6 214 111 B E H >X S+ 0 0 60 -4,-2.5 4,-1.8 1,-0.3 3,-1.0 0.800 90.4 68.2 -52.1 -32.8 -9.6 13.1 -40.4 215 112 B I H <>S+ 0 0 4 -4,-1.4 5,-1.2 1,-0.2 3,-0.8 0.738 111.7 56.2 -81.8 -19.2 -9.2 4.0 -35.3 221 118 B N H ><5S+ 0 0 85 -4,-1.5 3,-3.0 -3,-0.3 -2,-0.2 0.865 96.9 66.0 -72.9 -36.4 -5.4 4.4 -35.4 222 119 B E T 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.568 104.2 46.0 -59.2 -8.7 -5.6 4.9 -31.7 223 120 B F T < 5S- 0 0 20 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.168 116.8-116.7-118.1 10.8 -6.8 1.3 -31.7 224 121 B N T < 5 + 0 0 151 -3,-3.0 2,-0.7 1,-0.2 -3,-0.2 0.936 51.7 168.5 49.9 59.4 -4.0 0.1 -34.0 225 122 B I < - 0 0 19 -5,-1.2 -1,-0.2 4,-0.1 -2,-0.1 -0.893 22.2-153.4-107.0 112.5 -6.4 -1.0 -36.8 226 123 B S > - 0 0 38 -2,-0.7 4,-2.3 1,-0.1 5,-0.1 -0.240 35.6-105.5 -70.4 171.8 -4.7 -1.8 -40.1 227 124 B E H > S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.588 124.9 59.7 -74.7 -8.0 -6.8 -1.4 -43.2 228 125 B R H > S+ 0 0 181 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.889 106.4 42.0 -83.5 -45.9 -6.9 -5.2 -43.1 229 126 B E H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 113.6 54.2 -67.9 -41.4 -8.5 -5.3 -39.7 230 127 B A H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.923 107.8 49.6 -56.9 -48.6 -10.9 -2.5 -40.6 231 128 B S H X S+ 0 0 56 -4,-1.2 4,-2.2 1,-0.2 5,-0.2 0.940 110.5 49.7 -55.9 -50.8 -12.0 -4.3 -43.8 232 129 B D H X S+ 0 0 83 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.887 114.9 44.4 -57.2 -40.4 -12.7 -7.5 -41.8 233 130 B I H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.885 109.4 55.8 -71.1 -40.5 -14.7 -5.5 -39.2 234 131 B I H X S+ 0 0 11 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.856 111.6 45.2 -59.8 -36.3 -16.5 -3.6 -41.9 235 132 B N H X S+ 0 0 107 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.872 112.2 48.3 -75.9 -40.6 -17.7 -6.9 -43.4 236 133 B N H X S+ 0 0 38 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.955 118.2 42.1 -64.3 -46.2 -18.7 -8.5 -40.2 237 134 B L H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.845 110.7 55.9 -68.6 -36.1 -20.6 -5.4 -39.2 238 135 B R H < S+ 0 0 119 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.899 113.1 41.5 -65.5 -38.3 -22.1 -4.9 -42.6 239 136 B N H >< S+ 0 0 63 -4,-2.0 3,-2.3 2,-0.2 -2,-0.2 0.966 111.3 55.7 -69.9 -53.0 -23.5 -8.4 -42.6 240 137 B F H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.911 115.1 39.2 -38.3 -59.4 -24.6 -8.1 -38.9 241 138 B V T 3< 0 0 35 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.483 360.0 360.0 -73.8 -4.4 -26.6 -5.0 -39.8 242 139 B S < 0 0 112 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.2 0.957 360.0 360.0 -84.5 360.0 -27.7 -6.6 -43.1