==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 30-JAN-09 2KEI . COMPND 2 MOLECULE: LACTOSE OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.ROMANUKA,G.FOLKERS,N.BIRIS,E.TISHCHENKO,H.WIENK,R.KAPTEIN, . 124 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 62.1 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 . 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 . 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 5.6 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 1 1 3 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 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 . 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 1 A M 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.6 4.5 15.5 -16.1 2 2 A K - 0 0 165 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.863 360.0-122.5-104.1 130.5 4.7 11.8 -15.1 3 3 A P - 0 0 111 0, 0.0 2,-0.2 0, 0.0 44,-0.1 -0.457 25.5-151.7 -68.7 139.1 5.5 10.8 -11.6 4 4 A V - 0 0 14 42,-0.3 2,-0.3 -2,-0.1 44,-0.2 -0.642 9.1-150.9-105.9 167.8 8.6 8.6 -11.2 5 5 A T > - 0 0 45 -2,-0.2 4,-1.8 42,-0.1 3,-0.5 -0.911 33.4-104.7-139.1 165.2 9.1 6.0 -8.5 6 6 A L H > S+ 0 0 27 -2,-0.3 4,-1.8 1,-0.2 14,-0.2 0.692 121.3 59.8 -61.6 -16.9 11.9 4.3 -6.6 7 7 A Y H > S+ 0 0 124 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.902 100.7 50.0 -79.1 -41.3 11.2 1.4 -8.8 8 8 A D H > S+ 0 0 75 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.900 113.6 48.7 -61.9 -39.0 11.9 3.2 -12.1 9 9 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.920 111.5 48.5 -63.3 -47.2 15.1 4.3 -10.4 10 10 A A H X>S+ 0 0 2 -4,-1.8 5,-3.1 2,-0.2 4,-1.0 0.863 112.4 48.3 -64.2 -38.7 15.9 0.7 -9.3 11 11 A E H <5S+ 0 0 153 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.922 115.8 42.4 -68.9 -45.3 15.2 -0.7 -12.8 12 12 A Y H <5S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.779 118.5 46.3 -72.5 -25.9 17.3 1.9 -14.5 13 13 A A H <5S- 0 0 13 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.623 109.3-126.6 -89.1 -16.7 20.0 1.6 -11.9 14 14 A G T <5S+ 0 0 65 -4,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.899 72.0 109.9 70.5 41.2 19.8 -2.2 -12.1 15 15 A V S > - 0 0 76 -2,-0.2 4,-1.7 1,-0.1 3,-0.6 -0.649 36.4-118.7 -92.6 150.0 16.5 -3.3 -6.0 17 17 A Y H 3> S+ 0 0 126 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.889 118.9 56.9 -54.1 -39.5 13.9 -0.7 -5.0 18 18 A Q H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.888 102.7 55.0 -54.7 -40.3 15.1 -1.2 -1.5 19 19 A T H <> S+ 0 0 16 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.901 106.6 50.9 -62.3 -41.3 18.6 -0.3 -2.7 20 20 A V H >X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 3,-0.8 0.955 111.0 46.7 -59.5 -52.7 17.3 2.9 -4.1 21 21 A S H 3X S+ 0 0 35 -4,-2.4 4,-3.3 1,-0.3 5,-0.2 0.828 107.4 58.3 -61.1 -31.0 15.6 3.9 -0.9 22 22 A R H 3X>S+ 0 0 91 -4,-2.2 5,-1.3 -5,-0.2 4,-0.9 0.834 111.9 41.6 -67.6 -30.5 18.8 3.0 1.0 23 23 A V H <<5S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.8 -1,-0.2 0.867 114.8 49.4 -81.5 -42.2 20.5 5.5 -1.2 24 24 A V H <5S+ 0 0 31 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.928 114.7 45.3 -61.6 -45.4 17.8 8.1 -0.9 25 25 A N H <5S- 0 0 113 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.810 99.5-147.7 -65.9 -33.1 17.7 7.6 2.9 26 26 A Q T <5 + 0 0 133 -4,-0.9 -3,-0.2 -5,-0.2 2,-0.1 0.941 45.6 136.6 63.3 51.3 21.5 7.8 2.8 27 27 A A < - 0 0 65 -5,-1.3 3,-0.2 1,-0.2 -1,-0.1 -0.247 55.0 -65.6-109.5-160.7 22.1 5.5 5.7 28 28 A S S S+ 0 0 93 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.241 103.3 54.1 -83.2 176.0 24.4 2.6 6.6 29 29 A H S S+ 0 0 189 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.816 87.6 113.6 65.5 31.5 24.6 -0.8 5.0 30 30 A V - 0 0 41 -3,-0.2 2,-0.2 -8,-0.1 -1,-0.2 -0.990 61.0-140.2-137.8 124.9 25.0 1.0 1.7 31 31 A S > - 0 0 54 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.583 19.7-125.6 -85.5 146.4 28.1 0.9 -0.5 32 32 A A H > S+ 0 0 56 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.838 107.7 63.9 -58.3 -33.2 29.3 4.1 -2.2 33 33 A K H > S+ 0 0 153 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.936 107.6 39.2 -57.7 -49.9 29.3 2.3 -5.5 34 34 A T H > S+ 0 0 27 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 0.886 109.7 62.8 -69.6 -35.7 25.5 1.7 -5.5 35 35 A R H X S+ 0 0 88 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.905 106.7 42.7 -55.6 -46.5 24.9 5.2 -4.0 36 36 A E H X S+ 0 0 116 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.790 113.4 51.3 -74.2 -28.4 26.3 7.0 -7.0 37 37 A K H X S+ 0 0 94 -4,-1.2 4,-1.1 -5,-0.2 -1,-0.2 0.804 114.4 43.7 -79.6 -27.3 24.6 4.7 -9.6 38 38 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.873 111.7 51.8 -82.3 -39.9 21.2 5.1 -7.9 39 39 A E H X S+ 0 0 81 -4,-2.3 4,-0.6 -5,-0.3 -2,-0.2 0.826 108.5 54.7 -64.6 -29.2 21.6 8.8 -7.5 40 40 A A H >X S+ 0 0 46 -4,-1.1 4,-1.4 1,-0.2 3,-0.7 0.891 103.8 53.3 -69.8 -40.4 22.5 8.9 -11.2 41 41 A A H 3X S+ 0 0 1 -4,-1.1 4,-2.4 1,-0.2 5,-0.3 0.850 102.5 58.4 -64.7 -36.8 19.2 7.1 -12.1 42 42 A M H 3X>S+ 0 0 33 -4,-1.7 5,-2.1 1,-0.2 4,-0.5 0.761 106.2 49.8 -64.4 -25.0 17.2 9.7 -10.2 43 43 A A H <<5S+ 0 0 68 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.835 110.9 49.7 -82.3 -34.7 18.6 12.4 -12.4 44 44 A E H <5S+ 0 0 111 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.946 122.8 27.8 -67.4 -56.5 17.9 10.5 -15.6 45 45 A L H <5S- 0 0 54 -4,-2.4 -1,-0.2 -36,-0.0 -2,-0.2 0.567 108.2-119.7 -85.8 -9.7 14.3 9.7 -15.0 46 46 A N T <5 - 0 0 99 -4,-0.5 2,-0.4 -5,-0.3 -42,-0.3 0.987 35.5-159.4 66.1 61.9 13.7 12.7 -12.8 47 47 A Y < - 0 0 31 -5,-2.1 -1,-0.2 -6,-0.1 -42,-0.1 -0.632 7.9-164.2 -78.9 124.4 12.7 10.8 -9.6 48 48 A I - 0 0 94 -2,-0.4 2,-0.2 -44,-0.2 -44,-0.1 -0.941 19.5-129.8-111.8 112.0 10.8 12.9 -7.1 49 49 A P - 0 0 52 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.427 19.9-126.0 -64.1 125.1 10.6 11.3 -3.6 50 50 A N >> - 0 0 70 -2,-0.2 4,-2.4 1,-0.2 3,-0.6 -0.610 20.9-169.3 -76.7 101.7 7.1 11.2 -2.3 51 51 A R H 3> S+ 0 0 150 -2,-1.0 4,-0.7 1,-0.2 -1,-0.2 0.739 88.5 56.0 -62.5 -22.6 7.2 12.9 1.1 52 52 A a H 3> S+ 0 0 21 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.804 108.5 45.9 -80.3 -29.9 3.7 11.7 1.8 53 53 A A H <> S+ 0 0 23 -3,-0.6 4,-2.9 2,-0.2 5,-0.4 0.879 108.9 54.8 -76.4 -40.5 4.7 8.1 1.2 54 54 A Q H X S+ 0 0 64 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.772 111.7 46.5 -61.3 -27.8 7.8 8.6 3.4 55 55 A Q H < S+ 0 0 47 -4,-0.7 5,-0.3 -5,-0.2 -1,-0.2 0.763 109.8 53.1 -83.3 -30.7 5.3 9.8 6.0 56 56 A L H < S+ 0 0 65 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.2 0.911 121.8 30.2 -69.0 -43.7 3.1 6.8 5.4 57 57 A A H < S+ 0 0 93 -4,-2.9 2,-0.6 1,-0.1 -2,-0.2 0.725 119.9 61.0 -86.7 -24.9 5.9 4.3 5.8 58 58 A G S >< S- 0 0 18 -4,-1.1 3,-1.0 -5,-0.4 2,-0.5 -0.913 83.6-134.2-111.0 116.3 7.8 6.5 8.3 59 59 A K T 3 S- 0 0 156 -2,-0.6 -3,-0.1 1,-0.3 -4,-0.1 -0.548 82.9 -18.6 -73.6 119.4 6.0 7.4 11.6 60 60 A Q T 3 S+ 0 0 186 -2,-0.5 -1,-0.3 -5,-0.3 -5,-0.1 0.887 87.5 144.4 52.6 46.3 6.3 11.1 12.4 61 61 A S < 0 0 61 -3,-1.0 -2,-0.1 -7,-0.1 -6,-0.1 0.905 360.0 360.0 -77.1 -43.7 9.3 11.6 10.0 62 62 A L 0 0 157 -4,-0.3 -2,-0.0 -11,-0.1 -1,-0.0 -0.579 360.0 360.0-139.3 360.0 8.3 15.0 9.0 63 !* 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 64 1 B M 0 0 167 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.1 -3.4 11.4 12.3 65 2 B K + 0 0 196 2,-0.1 2,-0.2 0, 0.0 0, 0.0 0.918 360.0 68.9 -75.0 -48.0 -5.0 14.8 12.2 66 3 B P S S- 0 0 35 0, 0.0 44,-0.1 0, 0.0 47,-0.1 -0.514 90.4-112.3 -74.2 142.9 -6.9 14.6 8.8 67 4 B V - 0 0 27 42,-0.5 2,-0.3 -2,-0.2 44,-0.3 -0.316 30.7-145.8 -71.2 158.2 -9.9 12.2 8.7 68 5 B T >> - 0 0 26 44,-0.1 4,-1.5 42,-0.1 3,-1.0 -0.857 26.7-112.8-127.7 157.4 -9.8 9.1 6.7 69 6 B L H 3> S+ 0 0 24 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.807 118.5 62.8 -55.0 -27.5 -12.3 7.0 4.7 70 7 B Y H 3> S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.874 101.0 50.2 -66.2 -35.8 -11.8 4.4 7.4 71 8 B D H <> S+ 0 0 77 -3,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.864 109.8 51.7 -69.5 -35.4 -13.2 6.8 10.0 72 9 B V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.901 108.9 49.1 -68.2 -43.3 -16.2 7.4 7.8 73 10 B A H X>S+ 0 0 3 -4,-2.3 5,-2.5 2,-0.2 4,-1.1 0.955 114.9 44.0 -60.9 -52.0 -17.0 3.7 7.3 74 11 B E H <5S+ 0 0 154 -4,-2.0 3,-0.3 3,-0.2 -2,-0.2 0.923 115.6 48.0 -59.1 -49.1 -16.8 3.0 11.0 75 12 B Y H <5S+ 0 0 122 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.936 112.1 47.0 -60.0 -51.1 -18.8 6.1 12.0 76 13 B A H <5S- 0 0 12 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.695 113.9-119.7 -68.0 -16.9 -21.6 5.6 9.5 77 14 B G T <5S+ 0 0 61 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.927 70.2 119.4 79.1 46.3 -21.7 2.0 10.6 78 15 B V S - 0 0 62 -2,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.348 43.2-111.3 -70.8 159.0 -18.3 -1.9 5.9 80 17 B Y H > S+ 0 0 115 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.684 119.6 55.0 -66.7 -14.1 -15.1 -0.3 4.8 81 18 B Q H > S+ 0 0 98 2,-0.2 4,-3.4 1,-0.1 -1,-0.2 0.833 98.4 62.3 -85.7 -33.6 -16.0 -1.2 1.2 82 19 B T H > S+ 0 0 12 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.905 101.2 51.7 -56.1 -44.6 -19.3 0.6 1.5 83 20 B V H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.937 113.6 42.8 -61.8 -46.8 -17.6 3.9 2.1 84 21 B S H X S+ 0 0 29 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.934 112.4 56.2 -61.3 -47.1 -15.4 3.5 -1.0 85 22 B R H <>S+ 0 0 76 -4,-3.4 5,-2.6 1,-0.2 4,-0.3 0.860 108.4 46.3 -51.0 -42.1 -18.4 2.2 -2.9 86 23 B V H ><5S+ 0 0 6 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.875 109.5 54.5 -71.5 -36.2 -20.3 5.4 -2.0 87 24 B V H 3<5S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.824 111.6 44.4 -66.7 -30.3 -17.3 7.5 -3.0 88 25 B N T 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.463 108.4-127.8 -92.8 -1.5 -17.3 5.9 -6.4 89 26 B Q T < 5 - 0 0 142 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.888 41.4-172.5 55.4 42.8 -21.1 6.2 -6.7 90 27 B A < - 0 0 40 -5,-2.6 3,-0.4 -6,-0.1 -1,-0.1 -0.191 32.3-128.0 -64.7 158.6 -21.3 2.5 -7.4 91 28 B S S S+ 0 0 116 1,-0.2 2,-0.5 0, 0.0 -1,-0.1 0.664 101.7 75.4 -82.4 -17.5 -24.5 0.9 -8.5 92 29 B H S S+ 0 0 165 -7,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.143 81.4 98.4 -85.1 39.3 -24.2 -1.8 -5.9 93 30 B V - 0 0 32 -2,-0.5 2,-0.1 -3,-0.4 -11,-0.0 -0.993 66.8-137.0-135.6 130.0 -25.2 0.8 -3.3 94 31 B S > - 0 0 80 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.424 28.3-112.7 -78.0 157.5 -28.6 1.5 -1.7 95 32 B A H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.939 115.6 48.0 -55.5 -54.6 -29.9 5.1 -1.2 96 33 B K H > S+ 0 0 165 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.947 111.0 50.3 -52.2 -55.5 -29.7 5.0 2.6 97 34 B T H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 111.8 49.2 -53.4 -39.1 -26.2 3.6 2.6 98 35 B R H X S+ 0 0 108 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.906 114.6 43.4 -68.3 -43.1 -25.1 6.3 0.1 99 36 B E H X S+ 0 0 126 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.826 110.5 57.8 -71.0 -31.3 -26.6 9.1 2.2 100 37 B K H X S+ 0 0 107 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.946 110.4 41.2 -64.7 -48.5 -25.3 7.5 5.4 101 38 B V H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.854 114.0 52.6 -69.8 -35.4 -21.6 7.7 4.2 102 39 B E H < S+ 0 0 92 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.830 111.0 48.2 -70.7 -31.1 -22.0 11.1 2.7 103 40 B A H >X S+ 0 0 51 -4,-1.8 3,-2.6 1,-0.2 4,-1.3 0.909 104.2 58.0 -73.0 -46.0 -23.5 12.4 6.0 104 41 B A H 3X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.3 5,-0.3 0.802 94.3 69.3 -54.2 -27.4 -20.7 10.9 8.1 105 42 B M H 3<>S+ 0 0 54 -4,-1.0 5,-1.2 1,-0.2 -1,-0.3 0.713 101.8 46.0 -64.4 -19.9 -18.4 13.0 5.9 106 43 B A H <45S+ 0 0 76 -3,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.925 114.0 43.3 -87.4 -53.4 -19.8 16.0 7.7 107 44 B E H <5S+ 0 0 133 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.939 120.6 42.5 -57.3 -50.5 -19.7 14.8 11.3 108 45 B L T <5S- 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.746 102.1-133.8 -69.4 -23.0 -16.2 13.4 10.8 109 46 B N T 5 - 0 0 108 -5,-0.3 -42,-0.5 -4,-0.3 -3,-0.2 0.925 30.3-153.9 62.9 43.3 -15.1 16.4 8.8 110 47 B Y < + 0 0 26 -5,-1.2 -1,-0.2 -6,-0.3 -42,-0.1 -0.313 22.7 176.9 -54.6 122.0 -13.6 13.9 6.4 111 48 B I - 0 0 94 -44,-0.3 3,-0.2 -3,-0.1 -1,-0.1 -0.888 39.5-109.4-133.6 97.0 -10.7 15.4 4.6 112 49 B P - 0 0 48 0, 0.0 2,-1.8 0, 0.0 -44,-0.1 0.167 29.9-107.9 -30.5 129.5 -9.1 12.8 2.3 113 50 B N > - 0 0 21 1,-0.2 4,-3.7 -47,-0.1 5,-0.4 -0.466 32.7-166.6 -67.7 86.4 -5.7 11.6 3.3 114 51 B R H > S+ 0 0 124 -2,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.702 82.2 56.2 -47.3 -24.9 -3.6 13.3 0.6 115 52 B a H > S+ 0 0 7 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.981 119.4 24.9 -76.9 -57.5 -0.7 11.1 1.5 116 53 B A H > S+ 0 0 31 -3,-0.2 4,-3.1 1,-0.2 5,-0.2 0.881 119.5 61.2 -74.2 -37.1 -2.1 7.7 1.2 117 54 B Q H <>S+ 0 0 42 -4,-3.7 5,-0.9 2,-0.2 4,-0.5 0.866 105.1 46.9 -58.8 -39.4 -4.8 8.9 -1.3 118 55 B Q H ><5S+ 0 0 78 -4,-1.1 3,-1.2 -5,-0.4 -1,-0.2 0.949 113.2 49.5 -67.6 -48.2 -2.1 10.0 -3.8 119 56 B L H 3<5S+ 0 0 89 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.901 113.7 46.0 -53.6 -42.0 -0.3 6.7 -3.3 120 57 B A T 3<5S- 0 0 93 -4,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.533 143.8 -63.6 -81.7 -5.2 -3.6 4.9 -3.9 121 58 B G T < 5S- 0 0 48 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 -0.359 97.6 -10.2 161.9 -74.8 -4.3 7.1 -6.9 122 59 B K < - 0 0 133 -5,-0.9 -2,-0.1 2,-0.0 -3,-0.1 -0.937 61.1-103.8-149.8 170.2 -4.8 10.8 -6.5 123 60 B Q S S+ 0 0 116 -2,-0.3 -5,-0.1 2,-0.1 -9,-0.1 0.304 118.4 14.9 -82.7 10.0 -5.3 13.5 -3.8 124 61 B S 0 0 77 -7,-0.2 -1,-0.1 -11,-0.1 -11,-0.0 0.373 360.0 360.0-141.4 -68.3 -9.0 13.6 -4.6 125 62 B L 0 0 131 -4,-0.1 -2,-0.1 -37,-0.0 -4,-0.1 -0.836 360.0 360.0-162.7 360.0 -10.3 10.8 -6.6