==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION ACTIVATOR/DNA 06-OCT-11 3U3W . COMPND 2 MOLECULE: TRANSCRIPTIONAL ACTIVATOR PLCR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR R.GRENHA,L.SLAMTI,L.BOUILLAUT,D.LERECLUS,S.NESSLER . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 77.9 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 . 2 0.3 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 . 14 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.5 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 4 0 0 2 0 0 2 2 4 2 2 1 10 1 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 . 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 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 A > 0 0 56 0, 0.0 4,-0.7 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 98.4 -15.4 12.3 37.9 2 4 A E H > + 0 0 142 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.517 360.0 75.4 -87.4 -7.6 -16.7 14.2 34.8 3 5 A K H > S+ 0 0 90 62,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.920 94.9 47.7 -71.8 -46.6 -13.4 13.9 32.9 4 6 A L H > S+ 0 0 2 61,-0.3 4,-2.2 1,-0.2 3,-0.4 0.947 109.4 57.2 -54.4 -50.4 -13.7 10.2 32.1 5 7 A G H X S+ 0 0 1 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.886 108.7 41.0 -48.6 -53.9 -17.3 10.9 30.8 6 8 A S H X S+ 0 0 69 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.722 109.9 59.2 -76.8 -20.9 -16.4 13.6 28.2 7 9 A E H X S+ 0 0 33 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.897 109.1 45.2 -66.8 -41.4 -13.4 11.7 27.1 8 10 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.907 116.4 45.4 -65.7 -41.1 -15.7 8.8 26.2 9 11 A K H X S+ 0 0 107 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.889 111.7 52.6 -69.1 -41.7 -18.2 11.2 24.6 10 12 A K H X S+ 0 0 125 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.918 113.7 42.5 -58.6 -46.6 -15.4 13.0 22.7 11 13 A I H X S+ 0 0 8 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.813 112.3 53.8 -75.3 -31.3 -14.1 9.7 21.3 12 14 A R H <>S+ 0 0 25 -4,-1.9 5,-1.3 2,-0.2 4,-0.2 0.895 111.8 44.4 -67.1 -41.9 -17.6 8.3 20.5 13 15 A V H ><5S+ 0 0 84 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.918 110.1 55.9 -66.7 -43.1 -18.5 11.4 18.5 14 16 A L H 3<5S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.736 109.3 47.8 -58.7 -24.5 -15.0 11.3 16.8 15 17 A R T 3<5S- 0 0 60 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.432 112.4-121.8 -98.0 -2.8 -15.9 7.8 15.8 16 18 A G T < 5 + 0 0 58 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.416 66.6 133.6 79.2 -1.3 -19.4 8.8 14.5 17 19 A L < - 0 0 40 -5,-1.3 -1,-0.3 1,-0.0 2,-0.2 -0.480 46.9-139.7 -77.9 149.7 -21.3 6.4 16.8 18 20 A T > - 0 0 71 -2,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.579 33.7 -98.5 -98.1 171.8 -24.3 7.4 18.8 19 21 A Q H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.893 125.1 52.1 -57.2 -42.8 -25.0 6.2 22.4 20 22 A K H > S+ 0 0 112 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.936 111.0 47.2 -58.0 -47.9 -27.3 3.5 21.1 21 23 A Q H >4 S+ 0 0 84 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.904 114.3 46.7 -61.0 -44.2 -24.6 2.2 18.7 22 24 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 108.3 56.0 -66.2 -39.9 -22.0 2.3 21.4 23 25 A S H >X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.2 3,-2.1 0.636 77.9 127.6 -70.2 -15.0 -24.2 0.6 24.0 24 26 A E T << S- 0 0 80 -4,-0.8 4,-0.1 -3,-0.7 -3,-0.0 -0.157 86.4 -9.4 -55.2 125.6 -24.9 -2.5 21.8 25 27 A N T 34 S+ 0 0 176 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.475 132.7 69.4 68.3 1.5 -24.2 -5.9 23.4 26 28 A I T <4 S- 0 0 32 -3,-2.1 2,-0.3 1,-0.4 -2,-0.2 0.773 108.6 -46.0-111.2 -54.8 -22.5 -4.0 26.2 27 29 A C S < S- 0 0 31 -4,-2.9 -1,-0.4 19,-0.1 -2,-0.1 -0.924 71.2 -55.9-165.9-177.5 -25.2 -2.1 28.2 28 30 A H >> - 0 0 129 -2,-0.3 4,-1.3 1,-0.1 3,-0.8 -0.443 45.0-122.1 -74.3 150.6 -28.3 0.1 27.9 29 31 A Q H 3> S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.860 112.1 60.6 -63.0 -32.3 -28.0 3.4 25.9 30 32 A S H 3> S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.775 100.2 54.5 -66.0 -28.1 -29.1 5.3 29.1 31 33 A E H <> S+ 0 0 50 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.845 105.6 52.2 -73.9 -35.9 -26.1 4.0 31.0 32 34 A V H X S+ 0 0 2 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.943 109.3 51.4 -58.9 -47.9 -23.8 5.3 28.3 33 35 A S H X S+ 0 0 50 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.929 111.9 45.6 -52.6 -48.2 -25.6 8.6 28.8 34 36 A R H <>S+ 0 0 146 -4,-2.0 5,-1.3 1,-0.2 6,-0.7 0.837 111.2 53.0 -70.0 -32.8 -24.9 8.5 32.5 35 37 A I H ><5S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.902 110.1 47.8 -64.9 -42.5 -21.3 7.5 32.0 36 38 A E H 3<5S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.741 107.9 55.4 -71.8 -22.9 -20.7 10.4 29.7 37 39 A S T 3<5S- 0 0 65 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.532 112.2-118.0 -87.5 -7.7 -22.3 12.9 32.1 38 40 A G T < 5S+ 0 0 13 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.462 81.2 120.8 88.3 3.2 -20.0 11.8 34.9 39 41 A A S - 0 0 58 -2,-0.2 4,-2.6 281,-0.1 5,-0.3 -0.236 34.4 -98.4 -72.6 169.3 -17.8 -1.5 35.8 44 46 A M H > S+ 0 0 2 279,-0.3 4,-3.0 2,-0.2 5,-0.3 0.916 121.6 52.3 -58.1 -47.9 -14.9 -3.5 34.3 45 47 A D H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.963 114.0 42.1 -51.0 -59.9 -17.2 -5.4 31.8 46 48 A I H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.871 116.7 47.4 -58.8 -39.8 -18.8 -2.2 30.5 47 49 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.926 110.5 51.9 -68.2 -45.8 -15.5 -0.2 30.3 48 50 A Q H X S+ 0 0 26 -4,-3.0 4,-2.2 -5,-0.3 -2,-0.2 0.922 112.6 47.1 -53.7 -48.2 -13.7 -3.1 28.6 49 51 A G H X S+ 0 0 13 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.941 112.7 47.0 -58.8 -53.0 -16.5 -3.2 26.0 50 52 A I H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.910 112.8 50.3 -58.9 -42.5 -16.5 0.6 25.4 51 53 A A H X>S+ 0 0 0 -4,-3.1 5,-2.7 2,-0.2 4,-0.6 0.897 111.7 48.5 -63.3 -40.9 -12.7 0.6 25.1 52 54 A A H ><5S+ 0 0 9 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.965 112.5 45.6 -63.3 -53.9 -12.8 -2.2 22.6 53 55 A K H 3<5S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.852 118.0 44.3 -59.8 -34.9 -15.5 -0.8 20.4 54 56 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.523 109.4-126.0 -87.8 -5.6 -13.8 2.7 20.4 55 57 A Q T <<5 + 0 0 63 -3,-1.1 413,-0.4 -4,-0.6 -3,-0.2 0.966 58.8 144.2 58.5 56.0 -10.3 1.1 19.9 56 58 A I < - 0 0 4 -5,-2.7 -1,-0.2 411,-0.1 -2,-0.1 -0.992 57.7-113.2-128.3 125.4 -8.8 2.7 22.9 57 59 A P > - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.343 30.7-128.7 -51.4 131.8 -6.1 1.2 25.2 58 60 A I T >> S+ 0 0 8 1,-0.3 3,-1.1 2,-0.2 4,-1.0 0.794 103.3 68.8 -62.5 -28.6 -7.9 0.8 28.5 59 61 A I H 3> S+ 0 0 54 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.780 87.9 70.7 -62.6 -23.1 -5.2 2.5 30.5 60 62 A H H <> S+ 0 0 13 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.895 95.4 49.4 -59.6 -42.3 -6.3 5.7 28.7 61 63 A F H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.843 112.6 48.2 -71.8 -28.8 -9.5 5.9 30.6 62 64 A Y H >< S+ 0 0 4 -4,-1.0 3,-1.3 2,-0.2 4,-0.5 0.920 107.6 56.0 -72.3 -42.0 -7.6 5.4 33.9 63 65 A E H >X S+ 0 0 33 -4,-2.9 3,-0.6 1,-0.3 4,-0.6 0.932 111.9 41.2 -53.4 -50.9 -5.0 8.1 33.0 64 66 A V T 3< S+ 0 0 16 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.467 92.0 96.7 -79.4 1.6 -7.7 10.8 32.4 65 67 A L T <4 S+ 0 0 4 -3,-1.3 -61,-0.3 -4,-0.2 -62,-0.3 0.871 100.2 2.4 -59.9 -42.8 -9.6 9.6 35.5 66 68 A I T <4 S+ 0 0 86 -3,-0.6 2,-0.2 -4,-0.5 -2,-0.1 0.824 117.3 51.3-117.3 -51.2 -8.3 12.1 38.1 67 69 A Y S < S- 0 0 68 -4,-0.6 3,-0.3 1,-0.1 -1,-0.1 -0.616 71.8-122.0-101.9 158.7 -5.8 14.7 36.8 68 70 A S S S+ 0 0 68 -2,-0.2 5,-0.1 1,-0.2 -1,-0.1 -0.377 78.6 32.3 -95.1 165.8 -6.1 17.1 33.9 69 71 A D > + 0 0 81 -2,-0.1 4,-2.4 1,-0.1 -1,-0.2 0.782 64.4 159.4 67.8 32.2 -4.1 17.8 30.7 70 72 A I H > + 0 0 20 -3,-0.3 4,-1.9 1,-0.2 5,-0.1 0.789 66.1 52.7 -62.1 -35.8 -3.0 14.2 30.3 71 73 A E H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.944 112.2 45.3 -68.3 -45.2 -2.1 14.4 26.6 72 74 A R H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.923 111.4 53.4 -63.6 -43.1 0.1 17.4 27.0 73 75 A K H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.903 107.5 51.6 -59.3 -38.4 1.8 15.8 30.0 74 76 A K H X S+ 0 0 70 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.892 110.1 47.1 -69.0 -39.2 2.6 12.7 28.1 75 77 A Q H X S+ 0 0 94 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.841 111.4 53.4 -66.8 -34.1 4.2 14.6 25.2 76 78 A F H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 3,-0.4 0.973 108.6 48.8 -63.4 -53.6 6.2 16.6 27.8 77 79 A K H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.885 111.4 49.2 -51.7 -46.0 7.4 13.4 29.4 78 80 A D H X S+ 0 0 106 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.808 110.6 51.9 -65.9 -30.8 8.5 11.9 26.0 79 81 A Q H X S+ 0 0 91 -4,-1.6 4,-2.9 -3,-0.4 5,-0.2 0.960 110.4 46.0 -68.5 -52.7 10.3 15.2 25.2 80 82 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.930 112.4 52.8 -55.1 -46.8 12.3 15.2 28.4 81 83 A I H X S+ 0 0 61 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.898 109.9 47.4 -58.3 -44.5 13.1 11.5 27.9 82 84 A M H X S+ 0 0 78 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.967 113.1 48.2 -60.3 -54.0 14.4 12.2 24.4 83 85 A L H <>S+ 0 0 10 -4,-2.9 5,-2.4 1,-0.2 4,-0.5 0.894 109.2 53.0 -54.4 -45.3 16.5 15.2 25.6 84 86 A C H ><5S+ 0 0 4 -4,-3.2 3,-1.6 1,-0.2 -1,-0.2 0.938 107.3 53.0 -55.4 -46.0 17.9 13.1 28.5 85 87 A K H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.5 47.0 -53.9 -41.6 18.9 10.5 26.0 86 88 A Q T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.467 113.3-120.9 -82.1 -0.6 20.7 13.2 24.0 87 89 A K T < 5 + 0 0 37 -3,-1.6 2,-1.6 -4,-0.5 3,-0.2 0.798 59.5 151.6 64.9 28.6 22.4 14.5 27.2 88 90 A R >< + 0 0 94 -5,-2.4 4,-2.0 1,-0.2 -1,-0.2 -0.531 7.7 156.7 -89.0 73.0 20.8 17.9 26.7 89 91 A Y H > + 0 0 17 -2,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.822 63.0 58.8 -76.2 -33.8 20.7 18.8 30.4 90 92 A K H > S+ 0 0 105 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.971 110.5 43.9 -53.7 -55.9 20.6 22.6 30.1 91 93 A E H > S+ 0 0 83 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.909 112.7 51.3 -60.6 -44.1 17.4 22.4 28.1 92 94 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.932 109.1 52.6 -54.5 -46.7 15.9 19.8 30.5 93 95 A Y H X S+ 0 0 48 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.926 116.7 37.4 -56.6 -49.9 16.8 22.0 33.4 94 96 A N H X S+ 0 0 77 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.929 117.8 49.8 -66.9 -47.7 15.0 25.0 31.8 95 97 A K H X S+ 0 0 53 -4,-3.5 4,-1.6 -5,-0.2 -2,-0.2 0.939 116.3 40.9 -59.3 -49.6 12.1 23.1 30.3 96 98 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.845 110.6 57.1 -71.3 -35.6 11.3 21.2 33.6 97 99 A W H X S+ 0 0 108 -4,-1.7 4,-1.6 -5,-0.4 -1,-0.2 0.931 106.0 51.4 -60.4 -44.6 11.8 24.2 35.8 98 100 A N H < S+ 0 0 100 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.926 112.4 45.2 -56.7 -46.9 9.2 26.1 33.8 99 101 A E H >< S+ 0 0 12 -4,-1.6 3,-1.1 1,-0.2 5,-0.4 0.867 109.6 57.2 -63.4 -37.4 6.7 23.3 34.2 100 102 A L H >< S+ 0 0 18 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.810 98.4 59.2 -66.4 -31.0 7.6 23.0 37.9 101 103 A K T 3< S+ 0 0 125 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.532 84.6 77.2 -84.5 -4.0 6.7 26.6 38.7 102 104 A K T < S- 0 0 104 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.640 89.9-149.8 -69.2 -16.5 3.1 26.2 37.5 103 105 A E < + 0 0 144 -3,-1.3 -2,-0.1 -4,-0.2 -3,-0.1 0.745 29.6 170.5 54.6 28.5 2.8 24.4 40.9 104 106 A E - 0 0 75 -5,-0.4 2,-0.7 1,-0.1 -1,-0.2 -0.410 36.2-116.3 -70.4 145.9 0.0 22.1 39.6 105 107 A Y + 0 0 175 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 -0.765 65.5 119.3 -88.7 116.0 -1.1 19.2 41.8 106 108 A H >> - 0 0 18 -2,-0.7 4,-3.0 -39,-0.1 3,-0.7 -0.396 43.4-159.9-172.5 83.0 -0.3 15.8 40.3 107 109 A P H 3> S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.791 87.8 46.4 -47.8 -49.9 2.0 13.8 42.5 108 110 A E H 3> S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.884 117.5 43.0 -61.8 -42.9 3.3 11.3 39.9 109 111 A F H <> S+ 0 0 18 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.901 114.2 51.3 -70.3 -39.7 4.0 13.9 37.3 110 112 A Q H X S+ 0 0 43 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.915 109.1 51.7 -61.9 -41.0 5.5 16.3 39.9 111 113 A Q H X S+ 0 0 3 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.897 108.2 51.1 -61.3 -41.5 7.8 13.4 41.0 112 114 A F H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 111.2 48.1 -60.4 -46.6 8.9 12.9 37.4 113 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 113.7 46.5 -58.3 -48.7 9.7 16.6 37.0 114 116 A Q H X S+ 0 0 63 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.926 110.9 51.8 -62.2 -49.3 11.7 16.7 40.3 115 117 A W H X S+ 0 0 10 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.961 115.3 42.3 -47.9 -56.3 13.6 13.6 39.5 116 118 A Q H X S+ 0 0 3 -4,-2.4 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