==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 23-MAR-09 3GPV . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, MERR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS SEROVAR . AUTHOR K.PALANI,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 76.6 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 . 11 4.8 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 0.9 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 0 0 2 0 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 3 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 . 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 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 20 A X 0 0 153 0, 0.0 2,-0.5 0, 0.0 42,-0.4 0.000 360.0 360.0 360.0 135.2 20.4 5.6 35.5 2 21 A Y - 0 0 121 40,-0.1 40,-0.2 41,-0.1 2,-0.2 -0.963 360.0-150.2-126.5 108.8 21.7 5.5 39.1 3 22 A Y B -A 41 0A 54 38,-2.7 38,-3.1 -2,-0.5 2,-0.1 -0.557 9.8-127.9 -85.5 144.0 21.2 8.6 41.2 4 23 A T > - 0 0 39 -2,-0.2 4,-2.7 36,-0.2 3,-0.3 -0.362 26.7-107.5 -84.7 163.8 23.5 9.8 44.0 5 24 A I H > S+ 0 0 16 34,-0.5 4,-2.5 1,-0.2 5,-0.2 0.874 121.6 55.6 -58.3 -35.3 22.6 10.7 47.5 6 25 A G H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.864 109.5 44.1 -67.0 -37.2 23.2 14.3 46.6 7 26 A Q H > S+ 0 0 84 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.899 113.7 50.5 -73.5 -41.1 20.8 14.2 43.6 8 27 A V H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.902 108.7 52.4 -61.5 -41.5 18.2 12.3 45.7 9 28 A A H <>S+ 0 0 1 -4,-2.5 5,-3.0 -5,-0.2 4,-0.3 0.880 110.4 48.7 -61.6 -39.3 18.5 15.0 48.4 10 29 A K H ><5S+ 0 0 168 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.918 109.3 52.5 -66.1 -45.1 17.9 17.7 45.9 11 30 A X H 3<5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.867 115.7 40.3 -59.3 -36.9 14.9 15.9 44.5 12 31 A Q T 3<5S- 0 0 73 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.282 106.7-117.9 -97.1 7.2 13.4 15.6 47.9 13 32 A H T < 5S+ 0 0 179 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.903 76.8 125.3 55.8 39.3 14.2 19.0 49.3 14 33 A L < - 0 0 40 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.823 63.0-106.9-122.6 164.7 16.2 17.2 51.9 15 34 A T > - 0 0 72 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.547 24.2-117.6 -91.1 159.6 19.9 17.6 52.9 16 35 A I H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 117.3 59.1 -59.3 -37.0 22.6 15.0 52.1 17 36 A S H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 103.9 49.1 -59.2 -43.5 22.9 14.7 55.9 18 37 A Q H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 111.9 47.3 -63.3 -46.8 19.3 13.6 56.3 19 38 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.923 112.3 50.4 -61.4 -42.4 19.5 11.0 53.5 20 39 A R H X S+ 0 0 160 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.848 107.7 54.5 -64.0 -32.1 22.8 9.7 55.0 21 40 A Y H X S+ 0 0 131 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.912 108.2 47.6 -68.2 -41.8 21.1 9.4 58.4 22 41 A Y H <>S+ 0 0 16 -4,-2.2 5,-2.0 2,-0.2 4,-0.4 0.892 111.4 51.5 -64.3 -39.2 18.3 7.3 57.0 23 42 A D H ><5S+ 0 0 20 -4,-2.3 3,-2.1 1,-0.2 5,-0.4 0.959 108.3 52.0 -60.5 -47.6 20.9 5.2 55.3 24 43 A K H 3<5S+ 0 0 174 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.836 102.7 59.4 -56.5 -36.5 22.6 4.9 58.7 25 44 A Q T 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.535 119.6-110.3 -71.8 -6.5 19.3 3.7 60.2 26 45 A G T < 5S+ 0 0 32 -3,-2.1 -3,-0.2 -4,-0.4 -2,-0.1 0.702 80.1 129.2 86.3 19.9 19.3 0.8 57.8 27 46 A L < + 0 0 0 -5,-2.0 -4,-0.2 1,-0.2 3,-0.2 0.647 66.5 54.2 -82.0 -15.9 16.4 2.0 55.7 28 47 A F > + 0 0 6 -5,-0.4 3,-1.6 -6,-0.3 -1,-0.2 -0.385 53.3 143.4-117.1 59.1 18.2 1.6 52.4 29 48 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.652 71.1 66.5 -68.7 -9.7 19.4 -2.0 52.2 30 49 A F T 3 S+ 0 0 29 -3,-0.2 15,-0.1 15,-0.1 -2,-0.1 0.397 72.8 116.8 -91.4 0.8 18.6 -2.0 48.5 31 50 A L < - 0 0 30 -3,-1.6 2,-0.2 10,-0.1 10,-0.2 -0.331 45.4-165.4 -67.2 153.7 21.3 0.6 47.5 32 51 A Q E -B 40 0B 71 8,-1.5 8,-2.6 6,-0.1 2,-0.4 -0.727 18.8-110.3-128.2 178.0 24.0 -0.6 45.2 33 52 A R E -B 39 0B 150 -2,-0.2 6,-0.2 6,-0.2 2,-0.1 -0.910 21.4-142.2-115.1 143.9 27.4 0.9 44.3 34 53 A N > - 0 0 48 4,-1.7 3,-2.1 -2,-0.4 -1,-0.0 -0.228 48.0 -78.4 -87.8-172.3 28.3 2.4 40.9 35 54 A E T 3 S+ 0 0 197 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.776 134.1 54.2 -59.7 -26.4 31.7 2.0 39.3 36 55 A K T 3 S- 0 0 195 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.467 117.8-112.0 -86.8 -0.9 33.1 4.7 41.7 37 56 A G < + 0 0 30 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.511 67.9 148.5 84.0 3.5 31.8 2.8 44.8 38 57 A D - 0 0 61 1,-0.1 -4,-1.7 -5,-0.0 2,-0.8 -0.483 56.3-113.6 -72.1 140.2 29.3 5.5 45.4 39 58 A R E -B 33 0B 102 -6,-0.2 -34,-0.5 -2,-0.2 2,-0.2 -0.677 49.7-175.8 -80.1 112.2 26.0 4.3 47.1 40 59 A I E -B 32 0B 2 -8,-2.6 -8,-1.5 -2,-0.8 2,-0.5 -0.723 28.0-131.4-117.3 161.9 23.4 4.9 44.4 41 60 A F B -A 3 0A 0 -38,-3.1 -38,-2.7 -2,-0.2 2,-0.1 -0.922 18.1-163.0-110.6 122.4 19.6 4.7 43.8 42 61 A N > - 0 0 40 -2,-0.5 4,-2.1 -40,-0.2 5,-0.2 -0.414 47.7 -83.8 -91.7 178.3 18.3 3.0 40.6 43 62 A E H > S+ 0 0 108 -42,-0.4 4,-1.5 1,-0.2 5,-0.1 0.894 133.0 47.3 -48.7 -47.1 14.7 3.6 39.5 44 63 A E H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 108.2 56.0 -62.2 -41.5 13.3 0.9 41.9 45 64 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 105.3 51.9 -58.1 -42.6 15.4 2.4 44.8 46 65 A L H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.882 107.0 52.6 -64.0 -38.3 13.8 5.8 44.3 47 66 A K H X S+ 0 0 132 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.917 109.7 48.7 -64.8 -40.7 10.3 4.3 44.5 48 67 A Y H X S+ 0 0 33 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.879 109.9 53.7 -64.4 -36.3 11.3 2.6 47.7 49 68 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.915 104.4 54.0 -63.2 -44.6 12.6 6.0 48.9 50 69 A E H X S+ 0 0 88 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.919 112.6 43.6 -54.5 -48.4 9.3 7.7 48.1 51 70 A X H X S+ 0 0 5 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.904 109.6 56.3 -67.7 -38.8 7.4 5.2 50.2 52 71 A I H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.952 112.0 42.5 -58.9 -46.6 9.9 5.3 53.0 53 72 A L H X S+ 0 0 10 -4,-2.6 4,-3.4 2,-0.2 -1,-0.2 0.900 113.1 54.3 -66.4 -39.4 9.5 9.1 53.3 54 73 A C H < S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.954 112.7 41.6 -58.0 -51.9 5.7 8.7 52.9 55 74 A L H ><>S+ 0 0 0 -4,-3.3 5,-2.6 2,-0.2 3,-0.8 0.888 115.7 50.4 -65.4 -38.3 5.5 6.2 55.8 56 75 A K H ><5S+ 0 0 74 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.945 110.5 49.7 -64.9 -44.2 8.0 8.2 57.9 57 76 A N T 3<5S+ 0 0 103 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.496 108.5 54.2 -73.6 -3.3 6.0 11.4 57.2 58 77 A T T < 5S- 0 0 7 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.058 124.0 -97.9-116.2 21.8 2.8 9.7 58.3 59 78 A G T < 5 + 0 0 64 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.533 67.3 151.8 79.9 10.3 4.1 8.5 61.6 60 79 A X < - 0 0 11 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.1 -0.552 51.2-110.3 -75.7 136.9 5.2 4.9 61.0 61 80 A P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.423 22.2-121.2 -66.3 141.3 8.0 3.8 63.4 62 81 A I H 3> S+ 0 0 60 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.908 113.0 55.7 -47.2 -52.2 11.4 3.3 61.6 63 82 A Q H 3> S+ 0 0 146 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.867 108.4 49.2 -51.2 -39.4 11.6 -0.3 62.8 64 83 A K H <> S+ 0 0 48 -3,-0.8 4,-2.0 2,-0.2 -1,-0.3 0.876 109.7 50.6 -70.0 -38.3 8.2 -0.9 61.1 65 84 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.951 109.6 50.5 -64.4 -46.3 9.3 0.8 57.9 66 85 A K H X S+ 0 0 57 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.886 108.2 53.4 -57.5 -39.5 12.5 -1.4 57.8 67 86 A Q H X S+ 0 0 84 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.907 108.9 49.5 -61.2 -42.2 10.3 -4.4 58.3 68 87 A F H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.908 110.8 49.3 -63.3 -43.5 8.2 -3.3 55.3 69 88 A I H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.915 109.2 52.8 -63.6 -41.8 11.4 -2.8 53.2 70 89 A D H X S+ 0 0 78 -4,-2.7 4,-1.0 1,-0.2 3,-0.4 0.941 109.6 48.2 -58.7 -48.6 12.6 -6.3 54.2 71 90 A W H >X S+ 0 0 47 -4,-2.4 4,-1.1 1,-0.2 3,-0.7 0.896 106.6 57.5 -59.9 -40.8 9.3 -7.9 53.1 72 91 A S H 3< S+ 0 0 13 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.860 109.6 44.0 -58.2 -39.2 9.4 -6.1 49.8 73 92 A X H 3< S+ 0 0 78 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.598 103.2 66.6 -81.7 -12.4 12.8 -7.5 48.9 74 93 A E H << S- 0 0 123 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.766 107.1-126.2 -78.8 -25.0 11.8 -11.0 50.1 75 94 A G >< - 0 0 25 -4,-1.1 3,-2.1 -3,-0.3 -1,-0.3 -0.554 44.9 -34.8 111.9-177.0 9.3 -11.2 47.3 76 95 A D G > S+ 0 0 135 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.499 113.5 87.8 -62.8 -0.3 5.6 -11.8 46.7 77 96 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.668 96.5 38.9 -71.5 -14.6 5.8 -14.3 49.6 78 97 A T G <> S+ 0 0 3 -3,-2.1 4,-2.6 -7,-0.3 3,-0.4 0.263 80.1 113.4-116.0 7.4 5.1 -11.3 51.8 79 98 A I H <> S+ 0 0 24 -3,-0.9 4,-2.5 1,-0.3 5,-0.2 0.850 80.6 48.6 -49.1 -39.5 2.6 -9.6 49.5 80 99 A L H > S+ 0 0 109 -4,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.884 110.0 51.3 -70.3 -38.0 -0.2 -10.3 52.1 81 100 A H H > S+ 0 0 92 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.907 113.7 44.7 -63.4 -42.9 1.9 -8.9 54.9 82 101 A R H X S+ 0 0 21 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.930 111.0 51.3 -69.1 -46.2 2.6 -5.7 53.0 83 102 A L H X S+ 0 0 21 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.938 110.6 50.8 -54.8 -48.8 -1.0 -5.2 51.8 84 103 A K H X S+ 0 0 141 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.923 110.4 50.1 -52.8 -48.6 -2.1 -5.6 55.4 85 104 A L H X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.900 112.3 45.6 -59.5 -45.3 0.5 -3.0 56.4 86 105 A X H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.907 111.4 51.5 -68.3 -40.8 -0.6 -0.5 53.8 87 106 A K H X S+ 0 0 99 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.911 110.9 50.1 -62.4 -38.9 -4.3 -0.9 54.5 88 107 A Q H X S+ 0 0 77 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.878 111.2 48.1 -66.5 -37.2 -3.4 -0.3 58.2 89 108 A Q H X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.847 108.4 54.0 -72.3 -33.1 -1.5 2.8 57.2 90 109 A E H X S+ 0 0 53 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.950 110.5 47.3 -63.3 -47.6 -4.4 4.1 55.1 91 110 A A H X S+ 0 0 58 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.945 113.8 48.5 -57.7 -44.8 -6.6 3.7 58.1 92 111 A N H X S+ 0 0 72 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.877 112.0 48.2 -62.9 -39.0 -4.0 5.5 60.2 93 112 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.884 107.1 54.5 -73.9 -34.7 -3.7 8.3 57.7 94 113 A L H X S+ 0 0 85 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.915 110.0 49.1 -62.7 -39.1 -7.4 8.8 57.4 95 114 A Q H X S+ 0 0 86 -4,-1.9 4,-3.1 -5,-0.2 5,-0.2 0.897 108.2 53.6 -65.7 -39.5 -7.5 9.2 61.2 96 115 A L H X S+ 0 0 66 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.949 110.4 46.8 -58.5 -49.1 -4.6 11.7 61.0 97 116 A I H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.939 112.8 49.7 -58.6 -49.5 -6.5 13.8 58.5 98 117 A Q H X S+ 0 0 114 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.934 115.2 43.1 -55.9 -47.0 -9.6 13.6 60.6 99 118 A D H X S+ 0 0 69 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.871 112.5 52.4 -69.7 -36.0 -7.8 14.6 63.8 100 119 A T H X S+ 0 0 3 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.882 107.6 52.3 -69.2 -34.2 -5.8 17.3 62.0 101 120 A E H X S+ 0 0 104 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.904 107.5 52.8 -65.3 -40.0 -9.1 18.8 60.7 102 121 A K H X S+ 0 0 123 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.902 111.5 46.1 -60.3 -41.3 -10.4 18.8 64.2 103 122 A N H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.864 107.4 56.9 -70.6 -36.1 -7.3 20.7 65.3 104 123 A L H X S+ 0 0 22 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.911 105.5 52.4 -61.2 -40.8 -7.6 23.1 62.4 105 124 A K H X S+ 0 0 125 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.891 108.1 49.8 -62.1 -41.4 -11.1 24.0 63.6 106 125 A K H X S+ 0 0 54 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.930 112.3 48.5 -62.6 -45.2 -9.9 24.8 67.1 107 126 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.924 112.8 47.4 -60.1 -47.0 -7.2 27.0 65.6 108 127 A Q H X S+ 0 0 78 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.862 109.8 52.4 -66.0 -36.0 -9.6 28.8 63.4 109 128 A Q H X S+ 0 0 121 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.916 107.8 52.3 -65.6 -40.1 -12.1 29.3 66.2 110 129 A K H X S+ 0 0 45 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.884 107.6 52.9 -61.3 -37.4 -9.3 30.8 68.3 111 130 A I H < S+ 0 0 35 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.877 108.9 48.6 -64.7 -39.3 -8.7 33.1 65.3 112 131 A A H < S+ 0 0 84 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.943 108.3 54.9 -64.9 -46.3 -12.3 34.2 65.3 113 132 A K H < 0 0 161 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 360.0 360.0 -53.9 -43.7 -12.2 34.8 69.0 114 133 A Y < 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.970 360.0 360.0 -68.1 360.0 -9.2 37.1 68.6 115 !* 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 0.0 116 20 B X 0 0 173 0, 0.0 42,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.8 -14.0 22.6 90.9 117 21 B Y - 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0 0 44 -2,-0.5 4,-1.8 -40,-0.2 3,-0.2 -0.443 49.9 -84.4 -95.2-179.9 -9.5 24.5 86.9 158 62 B E H > S+ 0 0 141 -42,-0.4 4,-1.5 1,-0.2 5,-0.1 0.858 131.0 48.1 -55.3 -39.1 -11.8 24.9 83.9 159 63 B E H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 106.6 56.6 -71.3 -35.3 -9.6 27.6 82.3 160 64 B A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 106.9 50.8 -62.4 -37.3 -6.4 25.6 82.8 161 65 B L H X S+ 0 0 30 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.877 105.0 54.9 -68.4 -39.2 -8.0 22.7 80.8 162 66 B K H X S+ 0 0 116 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.926 110.0 48.1 -59.9 -42.8 -9.0 25.0 77.9 163 67 B Y H X S+ 0 0 45 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.883 109.2 53.7 -64.5 -37.8 -5.3 26.1 77.8 164 68 B L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.897 104.3 54.7 -64.4 -39.5 -4.3 22.4 77.9 165 69 B E H X S+ 0 0 85 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.882 111.6 44.6 -62.3 -36.8 -6.5 21.6 74.9 166 70 B X H X S+ 0 0 14 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.917 109.7 54.8 -73.9 -41.0 -4.8 24.3 72.9 167 71 B I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.964 113.6 43.0 -54.1 -49.1 -1.4 23.2 74.0 168 72 B L H X S+ 0 0 13 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.868 112.1 53.5 -64.2 -38.7 -2.2 19.7 72.8 169 73 B C H < S+ 0 0 1 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.934 112.8 43.0 -61.3 -48.0 -3.8 21.0 69.6 170 74 B L H <>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 3,-0.5 0.856 116.3 48.1 -67.3 -36.8 -0.7 23.0 68.7 171 75 B K H ><5S+ 0 0 83 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.898 108.8 53.0 -71.9 -39.7 1.7 20.2 69.7 172 76 B N T 3<5S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.560 108.1 52.8 -72.6 -7.2 -0.3 17.6 67.7 173 77 B T T 3 5S- 0 0 12 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.169 124.9 -99.6-111.3 14.9 -0.0 19.9 64.7 174 78 B G T < 5 + 0 0 61 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.570 62.7 158.8 83.7 12.1 3.7 20.2 64.9 175 79 B X < - 0 0 8 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.517 49.3-107.7 -71.2 132.1 4.3 23.5 66.6 176 80 B P >> - 0 0 57 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.257 23.6-120.0 -56.3 145.2 7.7 23.6 68.2 177 81 B I H 3> S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.850 111.4 56.9 -56.7 -37.7 7.7 23.5 72.0 178 82 B Q H 3> S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.858 107.7 46.8 -65.2 -35.9 9.4 26.9 72.3 179 83 B K H <> S+ 0 0 93 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.843 109.1 54.4 -74.6 -33.8 6.7 28.6 70.2 180 84 B I H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.911 109.7 47.6 -65.6 -39.5 4.0 26.9 72.2 181 85 B K H X S+ 0 0 84 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.887 109.4 53.7 -66.9 -37.2 5.5 28.3 75.4 182 86 B Q H X S+ 0 0 83 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.856 107.4 51.8 -63.8 -35.1 5.8 31.7 73.7 183 87 B F H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.900 111.7 46.4 -66.9 -42.2 2.1 31.4 73.0 184 88 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.920 111.4 50.1 -66.8 -46.3 1.4 30.6 76.7 185 89 B D H X S+ 0 0 70 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.906 112.1 48.6 -60.5 -42.1 3.6 33.4 78.0 186 90 B W H X S+ 0 0 50 -4,-2.1 4,-0.6 1,-0.2 7,-0.2 0.901 108.5 52.9 -64.1 -42.0 1.9 35.9 75.7 187 91 B S H >< S+ 0 0 13 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.858 109.8 50.5 -60.9 -33.3 -1.5 34.6 76.8 188 92 B X H 3< S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 100.0 63.2 -73.7 -34.0 -0.4 35.3 80.4 189 93 B E H 3< S- 0 0 116 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.640 107.9-126.5 -66.3 -15.4 0.8 38.8 79.6 190 94 B G X< - 0 0 26 -4,-0.6 3,-1.8 -3,-0.6 -1,-0.2 -0.386 47.8 -33.0 99.9-177.9 -2.8 39.8 78.8 191 95 B D G > S+ 0 0 139 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.357 113.7 87.6 -64.1 8.8 -4.5 41.5 75.8 192 96 B S G 3 S+ 0 0 85 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.544 92.9 44.7 -83.2 -6.6 -1.4 43.5 75.2 193 97 B T G <> S+ 0 0 2 -3,-1.8 4,-2.8 -7,-0.2 5,-0.3 0.172 76.1 116.6-118.4 13.9 -0.2 40.6 73.0 194 98 B I H <> S+ 0 0 52 -3,-0.7 4,-2.3 1,-0.2 5,-0.2 0.854 79.0 47.9 -51.6 -41.2 -3.5 40.0 71.2 195 99 B L H > S+ 0 0 127 2,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.873 111.6 50.6 -69.9 -36.8 -1.9 40.9 67.8 196 100 B H H > S+ 0 0 86 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.969 114.6 42.8 -63.2 -54.3 1.1 38.6 68.5 197 101 B R H X S+ 0 0 26 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.882 112.5 53.4 -59.8 -41.2 -1.1 35.7 69.4 198 102 B L H X S+ 0 0 47 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.921 110.6 48.4 -60.7 -43.1 -3.5 36.4 66.5 199 103 B K H X S+ 0 0 104 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.932 108.9 52.4 -62.1 -47.1 -0.5 36.3 64.2 200 104 B L H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.891 111.0 47.4 -56.9 -43.3 0.8 33.0 65.7 201 105 B X H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.911 109.1 53.8 -66.2 -42.2 -2.5 31.3 65.2 202 106 B K H X S+ 0 0 96 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.897 110.2 47.3 -61.8 -39.3 -2.8 32.6 61.6 203 107 B Q H X S+ 0 0 107 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.929 111.9 50.1 -67.7 -42.0 0.6 31.2 60.8 204 108 B Q H X S+ 0 0 6 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.909 107.5 53.9 -62.1 -40.8 -0.3 27.8 62.4 205 109 B E H X S+ 0 0 49 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.962 109.3 48.4 -56.9 -49.5 -3.5 27.7 60.4 206 110 B A H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.939 113.3 48.4 -56.3 -45.6 -1.5 28.2 57.3 207 111 B N H X S+ 0 0 94 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.908 111.0 49.5 -62.2 -41.3 0.9 25.4 58.5 208 112 B V H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.902 107.4 54.4 -68.4 -36.4 -2.0 23.1 59.3 209 113 B L H X S+ 0 0 77 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.932 111.0 46.1 -60.5 -43.7 -3.6 23.6 55.9 210 114 B Q H X S+ 0 0 94 -4,-2.0 4,-3.1 -5,-0.2 -1,-0.2 0.901 109.6 55.6 -63.4 -41.0 -0.3 22.6 54.3 211 115 B L H X S+ 0 0 59 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.903 107.3 48.6 -58.0 -44.2 -0.1 19.6 56.6 212 116 B I H X S+ 0 0 25 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.935 113.0 47.6 -64.0 -45.1 -3.5 18.4 55.5 213 117 B Q H X S+ 0 0 117 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.937 112.2 49.0 -62.9 -43.7 -2.6 18.7 51.9 214 118 B D H X S+ 0 0 66 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.872 112.7 49.0 -61.3 -36.9 0.8 17.0 52.4 215 119 B T H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.873 108.2 52.2 -72.2 -37.5 -1.1 14.2 54.3 216 120 B E H X S+ 0 0 86 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.917 109.0 52.1 -62.9 -39.4 -3.6 13.8 51.5 217 121 B K H X S+ 0 0 97 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.902 110.7 46.8 -63.4 -39.9 -0.7 13.5 49.1 218 122 B N H X S+ 0 0 14 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.902 107.0 57.3 -67.9 -39.2 0.8 10.8 51.3 219 123 B L H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.874 104.2 54.1 -57.7 -38.2 -2.6 9.0 51.5 220 124 B K H X S+ 0 0 155 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.895 107.2 49.8 -64.6 -39.7 -2.6 8.9 47.7 221 125 B K H X S+ 0 0 55 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.932 111.0 48.3 -66.0 -44.6 0.8 7.2 47.6 222 126 B I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.894 112.2 50.3 -61.3 -41.7 -0.3 4.5 50.2 223 127 B Q H X S+ 0 0 83 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.878 107.4 52.5 -65.7 -39.4 -3.5 3.9 48.2 224 128 B Q H X S+ 0 0 131 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.908 108.6 51.2 -62.9 -40.4 -1.6 3.5 44.9 225 129 B K H X S+ 0 0 30 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.885 109.2 51.8 -63.6 -36.7 0.6 0.9 46.6 226 130 B I H X S+ 0 0 15 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.942 108.8 48.7 -64.1 -47.9 -2.5 -0.8 47.8 227 131 B A H < S+ 0 0 53 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.924 112.6 50.3 -56.6 -45.7 -3.9 -0.9 44.2 228 132 B K H >< S+ 0 0 110 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.940 106.8 52.5 -58.2 -52.8 -0.6 -2.3 43.0 229 133 B Y H 3< S+ 0 0 6 -4,-2.7 3,-0.3 1,-0.3 2,-0.3 0.767 93.3 72.5 -58.1 -26.9 -0.4 -5.1 45.7 230 134 B E T 3< + 0 0 106 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.1 0.011 67.1 124.0 -79.6 34.6 -3.9 -6.2 44.6 231 135 B D < 0 0 114 -3,-0.7 -1,-0.2 -2,-0.3 -2,-0.1 0.980 360.0 360.0 -52.5 -83.3 -2.1 -7.5 41.5 232 136 B E 0 0 174 -3,-0.3 -3,-0.0 0, 0.0 -1,-0.0 0.666 360.0 360.0 18.2 360.0 -3.1 -11.1 41.6