==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 06-APR-12 4EJO . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, PADR-LIKE FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: EGGERTHELLA LENTA; . AUTHOR C.CHANG,H.LI,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 224 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 78.1 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 . 21 9.4 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 0.4 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 4 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 0 0 1 1 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 0 A A 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.4 17.3 5.1 10.5 2 1 A X > + 0 0 158 2,-0.0 4,-2.0 3,-0.0 5,-0.1 0.203 360.0 68.6-130.3 -19.1 15.7 8.3 11.6 3 2 A A H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 97.3 52.3 -58.3 -44.0 18.9 9.2 13.3 4 3 A Y H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.925 108.1 49.7 -62.3 -45.7 20.5 9.5 9.9 5 4 A D H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.891 110.9 51.6 -55.7 -41.4 17.7 11.9 8.7 6 5 A D H X S+ 0 0 113 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.891 109.1 49.1 -65.8 -42.5 18.4 13.9 11.9 7 6 A I H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.938 113.9 46.1 -59.0 -48.9 22.1 14.0 11.2 8 7 A V H X S+ 0 0 88 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.928 111.6 51.4 -60.5 -51.7 21.5 15.2 7.6 9 8 A S H X S+ 0 0 78 -4,-2.9 4,-3.4 1,-0.2 -1,-0.2 0.918 111.6 46.9 -46.2 -53.2 18.8 17.9 8.6 10 9 A S H X S+ 0 0 51 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.847 110.1 51.3 -70.0 -37.1 21.1 19.4 11.2 11 10 A X H X S+ 0 0 122 -4,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.770 114.4 45.8 -65.5 -28.5 24.2 19.5 8.8 12 11 A V H X S+ 0 0 53 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.893 109.7 53.5 -79.9 -41.2 21.9 21.3 6.3 13 12 A L H X S+ 0 0 92 -4,-3.4 4,-2.2 2,-0.2 3,-0.5 0.959 107.6 52.6 -54.1 -50.0 20.6 23.5 9.0 14 13 A E H X S+ 0 0 120 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.933 106.6 51.4 -49.4 -57.8 24.2 24.5 9.9 15 14 A L H X S+ 0 0 131 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.858 111.0 50.0 -46.5 -38.6 25.0 25.4 6.3 16 15 A R H >X S+ 0 0 75 -4,-1.8 3,-1.1 -3,-0.5 4,-0.8 0.932 104.1 56.4 -71.4 -47.8 21.9 27.6 6.2 17 16 A R H >< S+ 0 0 132 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.867 99.4 60.5 -44.8 -49.9 22.7 29.5 9.4 18 17 A G H 3< S+ 0 0 67 -4,-1.8 4,-0.3 1,-0.2 3,-0.2 0.790 107.1 47.1 -52.5 -30.9 26.1 30.6 8.0 19 18 A T H S+ 0 0 63 -4,-0.4 4,-3.0 -3,-0.2 -1,-0.2 0.900 111.4 48.4 -55.1 -44.8 23.7 37.5 8.1 22 21 A X H > S+ 0 0 25 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.895 112.4 47.9 -64.2 -47.2 24.3 38.0 4.4 23 22 A L H X S+ 0 0 62 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.863 111.4 50.4 -62.7 -36.5 20.7 37.5 3.7 24 23 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.972 111.9 47.0 -65.5 -51.6 19.6 39.9 6.4 25 24 A L H < S+ 0 0 3 -4,-3.0 58,-0.2 1,-0.2 -2,-0.2 0.845 114.7 48.6 -56.0 -40.9 22.0 42.7 5.2 26 25 A S H >< S+ 0 0 39 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.893 113.1 45.8 -65.3 -45.1 20.8 42.1 1.6 27 26 A Q H >< S+ 0 0 66 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.928 105.6 60.4 -67.0 -38.3 17.1 42.2 2.6 28 27 A L T 3< S+ 0 0 0 -4,-2.7 55,-3.1 1,-0.3 -1,-0.3 0.299 70.3 96.2 -85.5 14.2 17.4 45.3 4.7 29 28 A R T < S+ 0 0 115 -3,-1.2 -1,-0.3 53,-0.2 -2,-0.1 0.674 90.0 53.4 -65.9 -18.7 18.6 47.3 1.8 30 29 A E S < S- 0 0 135 -3,-1.8 -1,-0.1 -4,-0.1 51,-0.1 -0.997 111.7-107.8-109.7 124.9 14.9 48.1 1.9 31 30 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 51,-0.2 -0.236 51.0 170.0 -47.9 132.2 13.8 49.3 5.4 32 31 A A E -A 81 0A 19 49,-2.2 49,-2.6 -4,-0.1 2,-0.2 -0.999 37.5-116.6-150.7 142.8 11.8 46.6 7.2 33 32 A Y E > -A 80 0A 55 -2,-0.3 4,-2.0 47,-0.3 47,-0.2 -0.513 40.0-112.9 -64.9 148.7 10.2 45.7 10.6 34 33 A G H > S+ 0 0 9 45,-0.6 4,-2.8 1,-0.2 5,-0.2 0.927 118.3 54.9 -53.2 -46.1 11.7 42.5 12.1 35 34 A Y H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 108.0 49.8 -56.2 -44.1 8.3 40.7 11.7 36 35 A A H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 109.7 50.4 -57.3 -44.4 8.3 41.6 8.0 37 36 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.956 107.9 54.0 -64.0 -46.5 11.9 40.3 7.6 38 37 A V H X S+ 0 0 35 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.953 114.2 39.9 -45.8 -59.4 10.8 37.0 9.3 39 38 A K H X S+ 0 0 138 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.859 112.7 57.6 -64.5 -33.8 8.0 36.5 6.9 40 39 A S H X S+ 0 0 29 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.910 109.5 44.0 -62.3 -42.2 10.2 37.7 4.0 41 40 A L H ><>S+ 0 0 7 -4,-2.8 5,-3.0 2,-0.2 3,-0.6 0.950 114.3 47.9 -68.1 -47.9 12.8 35.0 4.7 42 41 A A H ><5S+ 0 0 51 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.883 107.9 57.7 -62.8 -34.9 10.3 32.2 5.2 43 42 A D H 3<5S+ 0 0 106 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.809 106.4 49.1 -60.0 -34.8 8.6 33.4 1.9 44 43 A H T <<5S- 0 0 145 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.271 130.8 -94.4 -92.0 15.8 11.9 32.8 0.1 45 44 A G T < 5S+ 0 0 23 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.572 92.2 118.1 89.6 10.3 12.3 29.3 1.6 46 45 A I < - 0 0 37 -5,-3.0 2,-0.3 -6,-0.2 -2,-0.2 -0.858 48.8-157.6-115.5 97.2 14.4 30.4 4.6 47 46 A P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.532 19.4 166.5 -73.9 134.3 12.9 29.7 8.1 48 47 A I - 0 0 25 -2,-0.3 2,-0.3 -10,-0.2 -6,-0.1 -0.987 30.1-128.5-149.0 134.5 14.1 31.8 11.0 49 48 A E >> - 0 0 133 -2,-0.3 4,-3.4 1,-0.1 3,-1.5 -0.660 19.0-127.5 -82.9 147.3 12.7 32.3 14.5 50 49 A A H 3> S+ 0 0 39 -2,-0.3 4,-2.8 1,-0.3 -1,-0.1 0.870 111.1 65.1 -58.4 -41.6 12.2 35.8 15.9 51 50 A N H 34 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.596 113.6 29.9 -51.6 -23.8 14.2 34.6 18.9 52 51 A T H <> S+ 0 0 46 -3,-1.5 4,-1.6 3,-0.1 -2,-0.2 0.745 119.7 53.5-100.2 -46.4 17.3 34.2 16.6 53 52 A L H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.911 104.5 51.8 -57.4 -49.2 16.5 36.9 14.2 54 53 A Y H X S+ 0 0 85 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.895 109.8 47.1 -63.5 -46.9 16.1 39.9 16.5 55 54 A P H > S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.870 111.5 53.6 -59.5 -36.0 19.3 39.4 18.5 56 55 A L H X S+ 0 0 29 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.862 108.6 49.5 -63.2 -40.5 21.2 39.1 15.2 57 56 A X H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.900 111.9 46.9 -69.9 -39.0 19.7 42.4 14.0 58 57 A R H X S+ 0 0 140 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.859 110.3 52.6 -70.9 -35.0 20.6 44.3 17.2 59 58 A R H X S+ 0 0 172 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.937 110.2 48.8 -64.5 -42.1 24.1 42.9 17.0 60 59 A L H <>S+ 0 0 7 -4,-2.1 5,-1.8 1,-0.2 6,-1.0 0.830 110.0 52.3 -64.0 -33.4 24.3 44.1 13.4 61 60 A E H ><5S+ 0 0 63 -4,-1.7 3,-2.0 4,-0.2 -1,-0.2 0.917 105.5 53.6 -66.1 -43.1 23.0 47.5 14.6 62 61 A S H 3<5S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.758 104.3 58.1 -66.7 -18.7 25.7 47.7 17.3 63 62 A Q T 3<5S- 0 0 90 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.450 116.9-112.1 -84.1 -1.3 28.3 47.0 14.5 64 63 A G T < 5S+ 0 0 33 -3,-2.0 23,-0.5 2,-0.3 22,-0.3 0.450 93.0 109.6 79.9 4.6 27.2 50.1 12.5 65 64 A L S - 0 0 35 -19,-2.1 4,-1.8 -2,-0.2 5,-0.2 -0.347 28.9 -95.3 -86.6 179.2 23.8 51.3 6.4 85 84 A D H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.911 129.7 46.2 -60.4 -44.0 26.6 52.4 3.9 86 85 A E H > S+ 0 0 97 -22,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.860 107.7 57.6 -63.0 -39.0 29.1 50.3 6.0 87 86 A G H > S+ 0 0 0 -23,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.885 107.2 47.2 -59.4 -38.9 26.7 47.3 6.1 88 87 A L H X S+ 0 0 68 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.896 110.6 52.0 -72.0 -44.6 26.5 47.2 2.2 89 88 A R H X S+ 0 0 158 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.959 112.9 44.8 -50.0 -52.5 30.3 47.5 2.1 90 89 A V H X S+ 0 0 51 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.918 114.0 50.5 -61.9 -44.8 30.5 44.5 4.6 91 90 A L H X S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.933 109.4 49.1 -55.4 -53.8 27.9 42.5 2.7 92 91 A R H X S+ 0 0 90 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.834 112.9 47.8 -61.5 -39.5 29.5 43.0 -0.7 93 92 A E H X S+ 0 0 144 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.966 113.3 46.2 -59.7 -60.6 32.9 41.9 0.6 94 93 A V H X S+ 0 0 71 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.884 112.2 52.7 -49.6 -45.3 31.6 38.7 2.4 95 94 A E H X S+ 0 0 67 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.899 108.0 49.2 -60.3 -48.5 29.5 37.8 -0.7 96 95 A A H X S+ 0 0 49 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.902 114.3 45.6 -58.7 -44.7 32.5 37.9 -3.0 97 96 A Q H X S+ 0 0 128 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.850 109.1 57.5 -66.2 -35.9 34.5 35.7 -0.6 98 97 A W H X S+ 0 0 99 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.936 105.1 50.1 -58.1 -44.3 31.5 33.4 -0.2 99 98 A H H X S+ 0 0 100 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.911 111.1 47.7 -61.5 -44.2 31.5 32.8 -4.0 100 99 A V H X S+ 0 0 97 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.946 112.0 51.7 -61.3 -44.0 35.2 32.0 -4.0 101 100 A L H X S+ 0 0 110 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.902 108.4 50.8 -56.1 -44.6 34.7 29.7 -1.0 102 101 A C H X S+ 0 0 55 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.909 110.4 47.4 -66.0 -45.2 31.9 27.9 -2.8 103 102 A D H X S+ 0 0 90 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.900 113.8 49.4 -63.5 -36.0 33.9 27.3 -5.9 104 103 A G H X S+ 0 0 40 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.950 113.5 45.4 -66.9 -47.3 36.8 26.0 -3.7 105 104 A V H X S+ 0 0 61 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.949 111.4 53.5 -59.3 -48.3 34.6 23.7 -1.8 106 105 A G H X S+ 0 0 20 -4,-3.0 4,-1.8 1,-0.2 3,-0.3 0.938 109.7 46.8 -52.3 -53.3 32.9 22.4 -5.0 107 106 A K H < S+ 0 0 123 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.876 111.0 52.1 -58.4 -37.9 36.2 21.5 -6.6 108 107 A L H >< S+ 0 0 122 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.829 110.1 48.4 -69.5 -33.2 37.5 19.8 -3.5 109 108 A L H 3< S+ 0 0 125 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.804 107.5 57.8 -79.0 -25.6 34.4 17.7 -3.2 110 109 A E T 3< + 0 0 139 -4,-1.8 2,-1.9 -5,-0.2 -1,-0.2 0.407 64.2 131.3 -85.6 4.4 34.7 16.7 -6.9 111 110 A T < 0 0 103 -3,-0.7 -1,-0.1 -4,-0.3 -3,-0.1 -0.334 360.0 360.0 -62.8 83.9 38.1 15.2 -6.8 112 111 A N 0 0 194 -2,-1.9 -1,-0.1 0, 0.0 -2,-0.1 -0.311 360.0 360.0-148.0 360.0 37.2 12.0 -8.7 113 !* 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 0.0 114 0 B A 0 0 122 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.8 14.6 -19.0 -8.5 115 1 B X >> - 0 0 115 1,-0.1 4,-1.0 4,-0.0 3,-0.9 -0.333 360.0-110.9 -58.4 147.7 11.3 -20.8 -8.0 116 2 B A H 3> S+ 0 0 74 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.759 124.5 50.4 -44.0 -24.0 8.6 -20.3 -10.5 117 3 B Y H 3> S+ 0 0 156 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.658 89.6 71.7-102.9 -20.6 7.1 -18.6 -7.5 118 4 B D H <> S+ 0 0 81 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.925 100.5 49.6 -56.9 -49.0 9.9 -16.3 -6.3 119 5 B D H X S+ 0 0 102 -4,-1.0 4,-3.2 1,-0.2 5,-0.3 0.918 107.8 55.1 -57.1 -46.6 9.4 -14.0 -9.3 120 6 B I H X S+ 0 0 83 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.945 109.9 44.8 -48.0 -55.3 5.6 -13.9 -8.6 121 7 B V H X S+ 0 0 86 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 113.8 51.2 -59.6 -43.7 6.2 -12.7 -5.0 122 8 B S H X S+ 0 0 72 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.930 109.2 49.5 -57.5 -52.9 8.8 -10.2 -6.3 123 9 B S H X S+ 0 0 75 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.799 112.1 50.0 -54.1 -34.9 6.4 -8.7 -8.9 124 10 B X H X S+ 0 0 126 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.924 111.5 45.2 -77.2 -42.5 3.7 -8.4 -6.2 125 11 B V H X S+ 0 0 68 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.907 111.4 57.2 -60.1 -46.8 5.9 -6.6 -3.7 126 12 B L H X S+ 0 0 95 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.891 105.0 48.7 -46.8 -53.7 7.1 -4.4 -6.6 127 13 B E H X S+ 0 0 97 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.917 107.8 53.4 -62.6 -44.9 3.6 -3.3 -7.5 128 14 B L H X S+ 0 0 135 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.896 110.9 49.4 -55.2 -40.1 2.7 -2.4 -3.9 129 15 B R H >X S+ 0 0 121 -4,-1.9 3,-1.8 1,-0.2 4,-1.0 0.948 102.7 60.6 -60.3 -51.9 5.9 -0.3 -4.0 130 16 B R H 3< S+ 0 0 138 -4,-2.5 4,-0.4 1,-0.3 3,-0.4 0.810 101.3 54.5 -45.4 -39.8 4.9 1.4 -7.2 131 17 B G H 3< S+ 0 0 61 -4,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.669 106.3 49.0 -72.6 -20.7 1.8 2.9 -5.7 132 18 B T H S+ 0 0 59 -4,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.920 111.2 47.4 -54.5 -35.3 4.3 9.6 -5.8 135 21 B X H > S+ 0 0 26 -4,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.855 108.3 51.6 -80.6 -36.6 3.8 10.2 -2.2 136 22 B L H X S+ 0 0 60 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.921 111.5 50.4 -59.3 -43.0 7.4 9.5 -1.2 137 23 B V H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.941 110.9 47.8 -63.1 -45.9 8.4 12.1 -4.0 138 24 B L H < S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 56,-0.2 0.913 113.5 48.3 -61.4 -42.0 6.0 14.7 -2.6 139 25 B S H >< S+ 0 0 31 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.934 113.8 45.1 -59.6 -48.9 7.2 14.2 0.9 140 26 B Q H >< S+ 0 0 63 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.907 105.9 60.7 -66.5 -39.6 10.9 14.4 0.0 141 27 B L T 3< S+ 0 0 1 -4,-2.5 53,-3.3 1,-0.3 -1,-0.3 0.298 72.0 92.3 -80.6 10.8 10.5 17.4 -2.2 142 28 B R T < S+ 0 0 112 -3,-1.2 -1,-0.3 51,-0.2 -2,-0.1 0.698 92.0 55.1 -66.0 -19.8 9.2 19.5 0.7 143 29 B E S < S- 0 0 85 -3,-1.8 -1,-0.2 -4,-0.1 49,-0.1 -0.982 111.8-110.8-112.5 115.4 13.0 20.1 0.7 144 30 B P + 0 0 58 0, 0.0 2,-0.3 0, 0.0 49,-0.2 -0.107 49.6 168.3 -53.9 144.4 14.1 21.4 -2.8 145 31 B A E -C 192 0B 24 47,-2.0 47,-2.4 -4,-0.1 2,-0.0 -0.981 37.1-111.8-162.8 140.2 16.2 18.8 -4.6 146 32 B Y E > -C 191 0B 54 -2,-0.3 4,-2.2 45,-0.3 45,-0.2 -0.364 40.0-111.6 -67.2 152.5 17.7 17.9 -8.0 147 33 B G H > S+ 0 0 8 43,-0.9 4,-1.9 1,-0.2 5,-0.1 0.920 119.9 51.2 -47.9 -47.1 16.3 14.8 -9.8 148 34 B Y H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 108.5 50.9 -62.7 -37.5 19.5 12.9 -9.2 149 35 B A H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 106.8 54.6 -71.6 -36.1 19.5 13.8 -5.5 150 36 B L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.922 106.3 51.2 -64.8 -40.2 15.9 12.5 -5.1 151 37 B V H X S+ 0 0 42 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.947 111.6 47.4 -63.3 -47.7 16.8 9.1 -6.6 152 38 B K H X S+ 0 0 117 -4,-1.8 4,-3.4 1,-0.2 -1,-0.2 0.897 110.6 52.1 -54.1 -47.3 19.7 8.7 -4.1 153 39 B S H X S+ 0 0 42 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.887 111.4 46.5 -60.1 -44.0 17.6 9.8 -1.1 154 40 B L H ><>S+ 0 0 5 -4,-2.2 5,-2.3 2,-0.2 3,-0.6 0.963 115.1 45.8 -66.0 -49.0 14.9 7.2 -2.0 155 41 B A H ><5S+ 0 0 52 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.899 109.7 54.9 -59.6 -39.9 17.6 4.5 -2.5 156 42 B D 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0.871 110.4 54.6 -66.2 -38.9 8.0 10.8 -16.4 167 55 B L H X S+ 0 0 12 -4,-0.5 4,-1.1 1,-0.2 -2,-0.2 0.741 107.9 48.5 -67.5 -26.8 6.4 11.1 -12.9 168 56 B X H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.872 105.7 54.8 -86.3 -39.9 8.0 14.5 -12.2 169 57 B R H X S+ 0 0 182 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.945 110.3 50.1 -49.2 -52.5 7.0 16.1 -15.5 170 58 B R H X S+ 0 0 149 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.865 111.8 45.6 -52.9 -45.4 3.4 15.1 -14.6 171 59 B L H <>S+ 0 0 11 -4,-1.1 5,-3.4 2,-0.2 6,-0.9 0.861 112.6 49.0 -74.7 -38.0 3.4 16.6 -11.1 172 60 B E H ><5S+ 0 0 52 -4,-2.4 3,-0.6 3,-0.2 -1,-0.2 0.855 109.1 55.6 -68.0 -35.0 5.1 19.8 -12.1 173 61 B S H 3<5S+ 0 0 106 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.748 109.9 44.1 -65.5 -32.1 2.4 20.1 -14.9 174 62 B Q T 3<5S- 0 0 135 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.413 119.8-114.7 -92.9 0.2 -0.4 19.8 -12.4 175 63 B G T < 5S+ 0 0 31 -3,-0.6 23,-0.4 2,-0.2 22,-0.3 0.842 83.1 122.1 69.3 37.1 1.5 22.3 -10.1 176 64 B L S - 0 0 36 -19,-2.5 4,-2.2 -2,-0.3 5,-0.2 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54.8 -59.9 -47.2 -3.6 10.9 0.1 206 94 B E H X S+ 0 0 68 -4,-3.1 4,-1.8 -5,-0.3 -2,-0.2 0.937 107.9 50.6 -54.0 -49.0 -1.5 10.0 3.2 207 95 B A H X S+ 0 0 58 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.910 111.7 44.7 -55.6 -47.5 -4.5 10.1 5.4 208 96 B Q H X S+ 0 0 146 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.812 108.8 61.2 -68.1 -29.0 -6.7 7.9 3.1 209 97 B W H X S+ 0 0 102 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.912 101.8 49.2 -61.6 -47.3 -3.6 5.5 2.8 210 98 B H H X S+ 0 0 109 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.871 112.8 48.4 -63.3 -36.8 -3.6 4.9 6.5 211 99 B V H X S+ 0 0 99 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.931 111.6 49.9 -67.8 -41.9 -7.3 4.1 6.4 212 100 B L H X S+ 0 0 108 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.897 110.5 50.2 -61.0 -39.1 -6.8 1.8 3.3 213 101 B C H X S+ 0 0 56 -4,-2.6 4,-2.6 1,-0.2 3,-0.2 0.975 110.5 48.8 -66.7 -53.4 -4.0 -0.1 5.1 214 102 B D H X S+ 0 0 88 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.899 112.6 49.7 -46.6 -48.4 -6.1 -0.6 8.2 215 103 B G H X S+ 0 0 40 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.836 110.9 46.6 -67.5 -38.4 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-6.0 -13.9 13.0 226 114 B D 0 0 142 -3,-0.1 -1,-0.1 -6,-0.0 -4,-0.1 -0.396 360.0 360.0 -92.1-177.1 -3.1 -11.5 13.5 227 115 B R 0 0 264 -2,-0.2 -2,-0.1 -6,-0.1 -6,-0.0 0.489 360.0 360.0 -51.5 360.0 -0.5 -10.8 10.9