==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-JAN-03 1NO4 . COMPND 2 MOLECULE: HEAD MORPHOGENESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE PHI29; . AUTHOR M.C.MORAIS,S.KANAMARU,M.O.BADASSO,J.S.KOTI,B.A.L.OWEN, . 298 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 89.6 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 80.2 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+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 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 2 A P 0 0 72 0, 0.0 2,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 -34.0 35.0 1.3 25.9 2 3 A L - 0 0 39 32,-0.1 5,-0.0 1,-0.1 0, 0.0 -0.417 360.0-115.6 -62.2 132.3 35.9 -2.2 24.8 3 4 A K >> - 0 0 92 1,-0.1 4,-2.2 -2,-0.1 3,-1.0 -0.415 26.2-112.1 -66.1 143.5 37.4 -2.1 21.3 4 5 A P H 3> S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.836 119.7 52.7 -46.6 -36.0 35.2 -3.9 18.7 5 6 A E H 3> S+ 0 0 128 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.863 108.4 48.7 -69.8 -35.8 37.9 -6.5 18.4 6 7 A E H <> S+ 0 0 100 -3,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.854 113.6 47.6 -70.4 -35.5 38.1 -7.1 22.2 7 8 A H H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.890 109.4 52.1 -71.6 -42.6 34.3 -7.4 22.3 8 9 A E H X S+ 0 0 61 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.869 103.8 59.3 -62.9 -35.9 34.2 -9.8 19.3 9 10 A D H X S+ 0 0 113 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.898 107.8 45.5 -59.0 -40.8 36.8 -11.9 21.1 10 11 A I H X S+ 0 0 14 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.919 110.6 52.3 -69.2 -44.3 34.3 -12.3 24.0 11 12 A L H X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.878 109.5 51.2 -59.7 -35.6 31.4 -13.1 21.7 12 13 A N H >X S+ 0 0 107 -4,-2.5 3,-0.8 1,-0.2 4,-0.6 0.894 107.4 51.4 -69.2 -39.0 33.5 -15.8 20.1 13 14 A K H >< S+ 0 0 91 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.885 108.3 53.8 -63.2 -38.1 34.4 -17.4 23.4 14 15 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.588 91.3 74.6 -73.3 -13.1 30.7 -17.5 24.3 15 16 A L H << S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.839 76.5 88.0 -69.4 -33.0 29.7 -19.3 21.1 16 17 A D X< - 0 0 77 -3,-0.8 3,-2.2 -4,-0.6 -1,-0.1 -0.566 62.6-160.8 -75.5 107.8 31.1 -22.6 22.4 17 18 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.660 89.7 63.2 -59.9 -17.8 28.5 -24.5 24.4 18 19 A E T 3 S+ 0 0 159 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.501 73.3 123.1 -87.2 -4.6 31.3 -26.6 26.0 19 20 A L S < S- 0 0 22 -3,-2.2 5,-0.1 -6,-0.2 -5,-0.0 -0.312 75.6 -99.7 -57.9 136.6 32.7 -23.5 27.7 20 21 A A >> - 0 0 53 1,-0.1 4,-2.6 4,-0.1 3,-0.6 -0.277 27.8-120.5 -58.4 143.4 32.9 -24.0 31.5 21 22 A Q H 3> S+ 0 0 75 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.870 113.9 55.7 -55.2 -39.9 30.1 -22.3 33.3 22 23 A S H 3> S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.875 110.7 46.4 -61.0 -36.4 32.5 -20.1 35.3 23 24 A E H <> S+ 0 0 80 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.923 113.3 47.4 -69.5 -48.5 33.9 -18.9 32.0 24 25 A R H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.931 114.3 47.4 -59.4 -46.6 30.5 -18.3 30.5 25 26 A T H X S+ 0 0 64 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.940 112.9 48.7 -60.5 -49.1 29.4 -16.4 33.6 26 27 A E H X S+ 0 0 112 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.926 110.7 50.2 -58.2 -48.3 32.5 -14.3 33.7 27 28 A A H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.930 110.5 49.1 -57.4 -49.0 32.3 -13.4 30.0 28 29 A L H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.876 108.6 54.0 -59.2 -38.8 28.7 -12.3 30.3 29 30 A Q H X S+ 0 0 72 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.931 106.6 52.6 -61.5 -44.1 29.6 -10.2 33.4 30 31 A Q H X S+ 0 0 95 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.915 108.8 49.8 -57.0 -44.2 32.3 -8.5 31.3 31 32 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.896 112.0 48.3 -63.4 -38.3 29.8 -7.7 28.7 32 33 A R H X S+ 0 0 99 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.953 113.3 45.1 -67.3 -49.3 27.4 -6.2 31.3 33 34 A V H X S+ 0 0 91 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.926 115.5 48.8 -58.9 -45.6 30.0 -4.1 33.0 34 35 A N H X S+ 0 0 17 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.899 111.1 49.2 -63.5 -40.5 31.3 -2.9 29.6 35 36 A Y H X S+ 0 0 6 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.875 111.3 48.3 -67.4 -38.7 27.8 -2.0 28.3 36 37 A G H X S+ 0 0 39 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.881 113.3 48.0 -68.6 -37.5 26.9 -0.1 31.4 37 38 A S H X S+ 0 0 51 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.848 112.5 50.3 -69.6 -34.4 30.2 1.8 31.2 38 39 A F H X S+ 0 0 8 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.917 108.5 50.7 -70.0 -44.9 29.6 2.5 27.5 39 40 A V H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.868 110.0 51.3 -62.1 -37.2 26.0 3.8 28.0 40 41 A S H X S+ 0 0 67 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.931 109.7 47.5 -66.8 -46.8 27.2 6.2 30.7 41 42 A E H X S+ 0 0 79 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.887 114.4 49.1 -61.7 -36.0 30.0 7.6 28.5 42 43 A Y H X S+ 0 0 40 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 110.8 48.7 -69.9 -40.9 27.5 8.0 25.7 43 44 A N H X S+ 0 0 83 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.885 112.8 48.4 -65.8 -39.3 24.9 9.7 27.9 44 45 A D H X S+ 0 0 113 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.907 110.9 49.9 -67.1 -42.5 27.5 12.1 29.2 45 46 A L H X S+ 0 0 22 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.867 108.7 53.8 -64.1 -36.1 28.7 12.9 25.7 46 47 A T H X S+ 0 0 35 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.833 109.0 49.3 -66.7 -34.0 25.1 13.5 24.7 47 48 A K H X S+ 0 0 136 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.930 112.1 44.2 -72.6 -48.1 24.6 16.0 27.5 48 49 A S H X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.786 112.2 55.8 -68.1 -24.4 27.7 18.1 26.9 49 50 A H H X S+ 0 0 37 -4,-1.5 4,-2.7 -5,-0.2 -1,-0.2 0.927 108.6 46.6 -71.3 -43.0 26.9 18.0 23.2 50 51 A E H X S+ 0 0 100 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.881 112.9 49.8 -65.2 -38.7 23.5 19.4 23.9 51 52 A K H X S+ 0 0 141 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.923 111.7 48.5 -66.3 -43.4 25.0 22.1 26.2 52 53 A L H X S+ 0 0 21 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 109.4 52.3 -62.1 -44.5 27.5 23.0 23.5 53 54 A A H X S+ 0 0 33 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.883 111.3 47.6 -59.8 -38.9 24.9 23.2 20.8 54 55 A A H X S+ 0 0 59 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.908 112.0 48.4 -68.5 -44.4 22.9 25.6 23.0 55 56 A E H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.901 109.8 53.0 -62.7 -42.0 25.9 27.8 23.9 56 57 A K H X S+ 0 0 41 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.931 107.9 51.1 -58.5 -46.6 26.8 28.0 20.2 57 58 A D H X S+ 0 0 97 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.888 111.7 47.3 -58.0 -41.4 23.2 29.1 19.4 58 59 A D H X S+ 0 0 108 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.851 109.8 52.5 -70.7 -34.3 23.5 31.8 22.0 59 60 A L H X S+ 0 0 17 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.830 106.7 53.5 -70.2 -31.3 26.9 33.0 20.8 60 61 A I H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 108.0 50.2 -69.1 -40.0 25.6 33.3 17.3 61 62 A V H X S+ 0 0 72 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.953 114.7 45.2 -59.9 -50.4 22.8 35.6 18.6 62 63 A S H X S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.933 114.1 45.9 -60.9 -50.4 25.4 37.6 20.4 63 64 A N H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.843 105.8 61.8 -65.3 -30.5 27.9 37.9 17.5 64 65 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.921 109.2 42.4 -58.7 -42.2 25.1 38.7 15.2 65 66 A K H X S+ 0 0 117 -4,-1.5 4,-2.7 -3,-0.3 -2,-0.2 0.932 113.6 50.1 -71.0 -47.0 24.4 41.9 17.3 66 67 A L H X S+ 0 0 20 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.949 111.5 49.0 -58.7 -48.3 28.1 42.8 17.7 67 68 A F H X S+ 0 0 22 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.922 113.4 46.2 -56.8 -45.8 28.8 42.5 14.0 68 69 A R H X S+ 0 0 91 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.881 111.8 52.2 -64.8 -37.0 25.7 44.7 13.1 69 70 A Q H X S+ 0 0 90 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.962 110.1 47.5 -61.9 -50.8 26.7 47.1 15.8 70 71 A I H X S+ 0 0 16 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.832 113.8 51.9 -57.8 -33.7 30.3 47.3 14.3 71 72 A G H X S+ 0 0 35 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.941 103.4 51.9 -71.2 -50.8 28.6 47.8 10.9 72 73 A L H >X S+ 0 0 89 -4,-2.7 4,-0.9 1,-0.2 3,-0.6 0.903 112.0 48.8 -53.4 -45.8 26.2 50.6 11.6 73 74 A T H >X S+ 0 0 65 -4,-1.7 4,-1.4 1,-0.2 3,-1.4 0.948 109.2 49.0 -61.6 -52.0 29.0 52.7 13.0 74 75 A E H 3< S+ 0 0 130 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.600 112.2 53.1 -65.9 -7.2 31.4 52.2 10.2 75 76 A K H << S+ 0 0 134 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.605 105.5 50.8 -97.8 -21.0 28.5 53.1 8.0 76 77 A Q H << 0 0 144 -3,-1.4 -2,-0.2 -4,-0.9 -3,-0.2 0.631 360.0 360.0 -86.6 -17.6 27.9 56.3 9.9 77 78 A E < 0 0 120 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.983 360.0 360.0 -72.0 360.0 31.6 57.0 9.3 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 2 B P 0 0 73 0, 0.0 2,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0-156.3 21.0 1.2 20.5 80 3 B L - 0 0 35 1,-0.1 5,-0.0 29,-0.1 29,-0.0 -0.437 360.0-116.2 -66.9 135.4 19.7 -1.6 22.8 81 4 B K >> - 0 0 132 -2,-0.1 4,-2.1 1,-0.1 3,-0.5 -0.433 29.5-111.0 -68.3 147.6 18.2 -0.4 26.0 82 5 B P H 3> S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.868 120.2 52.2 -49.1 -37.7 20.2 -1.6 29.0 83 6 B E H 3> S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.898 107.9 50.4 -66.7 -39.5 17.3 -3.8 30.0 84 7 B E H <> S+ 0 0 75 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.852 110.4 49.9 -65.9 -34.6 17.1 -5.4 26.5 85 8 B H H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 3,-0.5 0.921 108.5 54.1 -66.9 -43.9 20.9 -6.1 26.7 86 9 B E H X S+ 0 0 50 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.880 102.5 56.5 -57.8 -42.5 20.3 -7.7 30.1 87 10 B D H X S+ 0 0 87 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.854 108.1 48.5 -61.1 -33.8 17.7 -10.0 28.7 88 11 B I H X S+ 0 0 12 -4,-1.1 4,-2.6 -3,-0.5 -1,-0.2 0.911 109.1 51.7 -73.3 -42.1 20.2 -11.3 26.1 89 12 B L H X S+ 0 0 5 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.908 110.8 48.2 -61.2 -41.4 22.9 -11.8 28.7 90 13 B N H >X S+ 0 0 85 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.885 110.7 51.6 -67.0 -36.9 20.6 -13.9 30.9 91 14 B K H >< S+ 0 0 88 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.935 108.6 50.8 -64.1 -44.9 19.5 -15.9 27.9 92 15 B L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.574 93.5 76.8 -69.8 -9.2 23.1 -16.7 26.9 93 16 B L H << S+ 0 0 62 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.821 74.7 89.3 -71.5 -29.7 23.8 -17.8 30.5 94 17 B D X< - 0 0 81 -3,-1.1 3,-1.9 -4,-0.5 -1,-0.0 -0.580 62.4-159.4 -75.7 114.9 22.1 -21.2 29.9 95 18 B P T 3 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -76,-0.0 0.702 92.6 61.8 -63.9 -18.6 24.4 -23.9 28.6 96 19 B E T 3 S+ 0 0 162 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.418 72.2 123.1 -88.9 -0.4 21.3 -25.7 27.4 97 20 B L S < S- 0 0 29 -3,-1.9 5,-0.0 -6,-0.2 -5,-0.0 -0.378 78.3 -97.0 -61.9 139.1 20.2 -22.9 25.0 98 21 B A > - 0 0 51 1,-0.2 4,-2.2 4,-0.1 3,-0.2 -0.318 29.1-124.0 -56.3 140.0 19.8 -24.3 21.4 99 22 B Q H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.813 111.2 60.5 -57.5 -29.3 23.0 -23.5 19.5 100 23 B S H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.964 108.1 40.7 -61.6 -54.1 20.8 -21.8 17.0 101 24 B E H > S+ 0 0 77 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.830 113.0 56.8 -64.1 -33.9 19.5 -19.2 19.5 102 25 B R H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.970 109.4 43.4 -62.9 -52.5 22.9 -18.9 21.0 103 26 B T H X S+ 0 0 56 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.871 115.8 51.8 -60.7 -35.9 24.5 -17.9 17.7 104 27 B E H >X S+ 0 0 105 -4,-2.0 4,-1.9 -5,-0.2 3,-0.8 0.975 110.8 43.7 -63.8 -58.8 21.5 -15.6 17.1 105 28 B A H 3X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.894 111.6 55.2 -54.3 -43.5 21.6 -13.7 20.4 106 29 B L H 3X S+ 0 0 1 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.3 0.821 106.2 53.7 -59.2 -31.7 25.4 -13.4 20.0 107 30 B Q H X S+ 0 0 181 -4,-2.7 4,-0.8 1,-0.2 3,-0.8 0.938 110.9 52.8 -58.6 -50.3 36.6 45.2 23.0 147 70 B Q H >X S+ 0 0 52 -4,-2.7 4,-1.4 1,-0.3 3,-1.2 0.892 105.9 54.5 -53.4 -44.1 36.8 46.8 19.5 148 71 B I H 3< S+ 0 0 27 -4,-2.3 4,-0.5 1,-0.3 -1,-0.3 0.816 105.5 54.0 -60.8 -32.1 33.5 48.4 20.0 149 72 B G H << S+ 0 0 32 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.623 104.2 54.2 -79.2 -13.3 34.7 50.0 23.3 150 73 B L H << S+ 0 0 142 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.796 104.1 56.0 -86.3 -32.0 37.7 51.6 21.6 151 74 B T S < S- 0 0 92 -4,-1.4 2,-0.2 0, 0.0 -2,-0.2 0.624 137.6 -40.7 -74.9 -15.0 35.6 53.3 19.0 152 75 B E 0 0 71 -4,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.609 360.0 360.0-173.7-132.0 33.4 55.1 21.6 153 76 B K 0 0 115 -2,-0.2 -4,-0.2 -3,-0.0 -3,-0.1 -0.070 360.0 360.0 22.1 360.0 32.1 53.5 24.8 154 !* 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 0.0 155 2 C P 0 0 67 0, 0.0 34,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 124.5 -3.4 28.5 10.7 156 3 C L - 0 0 35 1,-0.1 29,-0.0 29,-0.1 0, 0.0 -0.223 360.0-101.6 -55.1 149.6 -6.0 25.7 10.6 157 4 C K >> - 0 0 115 1,-0.1 4,-2.4 4,-0.0 3,-0.9 -0.442 31.7-110.8 -71.8 152.4 -4.7 22.8 8.6 158 5 C P H 3> S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.897 121.1 52.6 -50.9 -40.4 -6.1 22.6 5.0 159 6 C E H 3> S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.801 109.1 48.8 -65.7 -31.6 -8.1 19.5 6.0 160 7 C E H <> S+ 0 0 77 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.901 112.3 47.1 -74.6 -42.1 -9.6 21.4 9.0 161 8 C H H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.894 110.4 54.8 -63.4 -40.4 -10.6 24.4 6.9 162 9 C E H X S+ 0 0 55 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.893 105.3 52.3 -60.7 -42.7 -12.0 22.0 4.4 163 10 C D H X S+ 0 0 111 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.865 108.8 50.2 -64.3 -36.2 -14.2 20.4 7.0 164 11 C I H X S+ 0 0 13 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.896 109.8 50.5 -69.4 -40.0 -15.6 23.8 8.1 165 12 C L H X S+ 0 0 5 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.941 109.1 50.2 -63.1 -48.6 -16.4 24.7 4.5 166 13 C N H X S+ 0 0 94 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.844 110.6 51.8 -58.8 -32.9 -18.3 21.5 3.8 167 14 C K H >< S+ 0 0 78 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.915 108.4 50.1 -70.4 -40.8 -20.2 22.1 7.0 168 15 C L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.592 96.8 69.8 -73.1 -12.6 -21.2 25.7 5.9 169 16 C L H 3< S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.816 76.3 100.9 -72.5 -31.1 -22.4 24.4 2.5 170 17 C D X< - 0 0 71 -3,-0.8 3,-1.5 -4,-0.6 -3,-0.0 -0.415 60.4-158.9 -63.5 114.8 -25.4 22.8 4.2 171 18 C P T 3 S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 76,-0.0 0.776 92.0 55.0 -62.5 -31.2 -28.6 24.9 3.9 172 19 C E T 3 S+ 0 0 161 2,-0.0 2,-0.1 3,-0.0 3,-0.1 0.355 76.4 132.1 -87.7 5.4 -30.2 23.2 6.9 173 20 C L < - 0 0 15 -3,-1.5 5,-0.1 -6,-0.1 -5,-0.0 -0.392 68.4-105.7 -62.1 129.0 -27.3 24.0 9.2 174 21 C A > - 0 0 48 -2,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.237 26.0-122.1 -53.1 140.8 -28.6 25.4 12.5 175 22 C Q H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.881 110.9 53.6 -57.2 -40.6 -28.0 29.1 12.7 176 23 C S H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 110.7 46.7 -62.1 -41.7 -25.9 28.9 15.9 177 24 C E H > S+ 0 0 72 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.835 111.0 54.4 -67.4 -32.4 -23.6 26.3 14.2 178 25 C R H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.987 110.8 42.8 -63.0 -60.1 -23.4 28.5 11.2 179 26 C T H X S+ 0 0 60 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.851 113.2 55.3 -56.1 -34.0 -22.3 31.6 13.2 180 27 C E H X S+ 0 0 110 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.932 108.8 46.4 -65.3 -45.1 -20.0 29.3 15.1 181 28 C A H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.929 111.2 51.4 -63.0 -46.0 -18.3 28.0 11.9 182 29 C L H 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0.943 108.0 51.8 -62.3 -48.4 25.8 42.1 4.9 213 60 C L H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.827 108.5 51.7 -59.6 -33.5 27.4 38.9 6.3 214 61 C I H X S+ 0 0 74 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.924 110.0 48.1 -70.2 -42.6 28.4 37.9 2.8 215 62 C V H X S+ 0 0 68 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.935 115.1 46.7 -60.7 -44.4 30.0 41.3 2.1 216 63 C S H X S+ 0 0 31 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.890 109.6 52.5 -64.2 -40.8 31.8 40.9 5.4 217 64 C N H X S+ 0 0 48 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.926 111.8 49.1 -61.8 -40.6 32.8 37.3 4.7 218 65 C S H X S+ 0 0 57 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.942 113.4 43.4 -64.3 -49.5 34.3 38.6 1.4 219 66 C K H X S+ 0 0 128 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.927 114.1 50.7 -64.2 -45.1 36.2 41.5 3.0 220 67 C L H X S+ 0 0 15 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.928 112.1 46.7 -58.4 -48.0 37.5 39.4 5.9 221 68 C F H X S+ 0 0 150 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.950 114.1 47.2 -61.0 -50.4 38.8 36.7 3.6 222 69 C R H >X S+ 0 0 164 -4,-2.3 3,-0.6 -5,-0.2 4,-0.5 0.927 110.5 53.0 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