==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 29-JUN-11 2LFD . COMPND 2 MOLECULE: DIIRON PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.WU,M.PIRES,J.L.MILLS,A.REIG,T.SZYPERSKI,W.DEGRADO,G.T.MONT . 115 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 82.6 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 . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 78.3 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 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 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 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.3 -15.3 12.9 11.8 2 2 A D - 0 0 47 0, 0.0 55,-0.1 0, 0.0 0, 0.0 0.490 360.0-120.2 -95.9 -5.8 -13.6 12.3 8.4 3 3 A E + 0 0 112 3,-0.0 54,-0.0 1,-0.0 0, 0.0 0.771 45.1 165.4 71.4 122.0 -12.3 8.9 9.4 4 4 A L > + 0 0 57 3,-0.1 4,-2.7 2,-0.0 5,-0.2 0.502 59.6 81.6-135.6 -23.2 -8.6 8.0 9.5 5 5 A R H > S+ 0 0 195 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.896 97.6 42.9 -60.3 -45.0 -8.4 4.7 11.4 6 6 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.837 111.7 56.2 -70.6 -31.9 -9.3 2.5 8.5 7 7 A L H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.932 110.9 43.5 -62.3 -46.3 -7.1 4.5 6.3 8 8 A L H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.923 111.7 54.3 -62.4 -46.3 -4.2 3.8 8.6 9 9 A K H X S+ 0 0 122 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.842 104.0 56.1 -58.3 -36.1 -5.2 0.2 8.9 10 10 A A H X S+ 0 0 28 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.933 110.3 43.3 -63.6 -46.1 -5.1 -0.2 5.1 11 11 A E H X S+ 0 0 4 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.907 114.3 51.4 -64.9 -42.2 -1.5 0.9 4.9 12 12 A Q H X S+ 0 0 92 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.877 106.4 55.0 -61.2 -39.3 -0.7 -1.2 8.0 13 13 A Q H X S+ 0 0 91 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.919 110.0 45.5 -62.0 -44.2 -2.3 -4.2 6.3 14 14 A G H X S+ 0 0 3 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.909 111.2 52.2 -66.1 -42.3 -0.1 -3.8 3.2 15 15 A I H X S+ 0 0 33 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.908 109.9 49.9 -58.6 -43.4 3.0 -3.3 5.4 16 16 A K H X S+ 0 0 140 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.938 113.9 45.0 -59.2 -48.0 2.2 -6.5 7.2 17 17 A I H X S+ 0 0 13 -4,-2.3 4,-3.4 2,-0.2 -2,-0.2 0.908 110.6 53.8 -62.9 -44.7 1.7 -8.3 3.9 18 18 A L H X S+ 0 0 2 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.921 111.1 45.4 -58.5 -45.3 4.9 -6.8 2.4 19 19 A K H X S+ 0 0 109 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.868 114.4 50.4 -64.6 -35.9 6.9 -8.1 5.4 20 20 A E H X S+ 0 0 106 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.914 110.1 48.7 -67.0 -45.0 5.2 -11.4 5.0 21 21 A V H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.884 105.7 57.7 -63.9 -40.4 5.9 -11.6 1.3 22 22 A L H X S+ 0 0 42 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.883 110.1 44.7 -59.3 -39.8 9.6 -10.8 1.9 23 23 A K H >X S+ 0 0 124 -4,-1.3 3,-1.4 1,-0.2 4,-1.0 0.954 113.4 49.5 -65.2 -50.8 9.9 -13.8 4.2 24 24 A K H 3X S+ 0 0 37 -4,-2.4 4,-1.7 1,-0.3 5,-0.5 0.705 97.6 69.0 -65.9 -22.6 8.0 -16.0 1.8 25 25 A A H 3< S+ 0 0 16 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.840 101.6 47.6 -61.7 -33.7 10.2 -14.9 -1.0 26 26 A K H << S+ 0 0 177 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.769 101.0 63.9 -76.6 -29.0 12.9 -16.8 0.8 27 27 A E H < S- 0 0 89 -4,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.892 99.5-151.9 -58.6 -40.2 10.5 -19.8 1.1 28 28 A G < + 0 0 53 -4,-1.7 2,-0.4 1,-0.2 -3,-0.1 0.966 35.3 149.1 73.0 58.6 10.7 -19.8 -2.6 29 29 A D > - 0 0 77 -5,-0.5 4,-2.8 1,-0.1 -1,-0.2 -0.993 38.8-149.3-122.8 131.5 7.5 -21.2 -4.1 30 30 A E H > S+ 0 0 164 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.926 100.2 46.7 -61.2 -48.5 6.2 -20.0 -7.5 31 31 A Q H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 113.6 50.0 -62.4 -41.8 2.5 -20.5 -6.6 32 32 A E H > S+ 0 0 32 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.932 109.1 51.5 -60.1 -47.5 3.1 -18.7 -3.2 33 33 A L H X S+ 0 0 37 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.894 110.5 48.2 -59.3 -42.2 4.8 -15.8 -5.0 34 34 A A H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.910 113.3 48.4 -63.6 -42.5 1.9 -15.4 -7.4 35 35 A R H X S+ 0 0 154 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 110.9 50.8 -59.9 -47.5 -0.5 -15.6 -4.4 36 36 A L H X S+ 0 0 11 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.907 109.1 50.1 -59.0 -46.0 1.6 -13.0 -2.5 37 37 A N H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.923 111.9 48.2 -60.0 -44.5 1.6 -10.6 -5.5 38 38 A Q H X S+ 0 0 130 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.856 108.3 55.2 -63.8 -37.3 -2.2 -10.9 -5.8 39 39 A E H X S+ 0 0 83 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.919 110.4 45.6 -60.8 -45.2 -2.6 -10.3 -2.1 40 40 A I H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.949 113.3 48.1 -64.3 -50.7 -0.6 -7.1 -2.3 41 41 A V H X S+ 0 0 20 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.906 110.0 53.0 -57.5 -44.8 -2.5 -5.8 -5.4 42 42 A K H X S+ 0 0 152 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.899 112.6 43.8 -59.6 -43.2 -5.9 -6.6 -3.8 43 43 A A H X S+ 0 0 26 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.938 115.5 47.1 -68.6 -47.8 -5.1 -4.6 -0.7 44 44 A E H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.901 111.3 52.0 -60.0 -43.5 -3.6 -1.7 -2.5 45 45 A K H X S+ 0 0 129 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.900 110.6 47.5 -62.2 -42.0 -6.5 -1.6 -5.0 46 46 A Q H X S+ 0 0 115 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.884 108.1 56.8 -66.4 -38.3 -9.0 -1.5 -2.1 47 47 A G H X S+ 0 0 4 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.923 103.9 51.9 -58.4 -45.4 -6.9 1.2 -0.4 48 48 A V H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.888 108.4 52.8 -57.6 -40.0 -7.3 3.4 -3.5 49 49 A K H X S+ 0 0 129 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.915 113.8 41.8 -62.4 -44.7 -11.0 2.9 -3.4 50 50 A V H X S+ 0 0 48 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.925 114.3 50.7 -69.2 -45.4 -11.2 4.0 0.3 51 51 A Y H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.842 107.1 54.4 -64.7 -34.9 -8.8 6.9 -0.2 52 52 A K H X S+ 0 0 89 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.926 110.3 47.1 -62.4 -43.6 -10.7 8.2 -3.1 53 53 A E H X S+ 0 0 88 -4,-1.5 4,-1.4 1,-0.2 3,-0.3 0.930 113.9 47.4 -60.6 -46.5 -13.8 8.2 -0.9 54 54 A A H < S+ 0 0 10 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.829 104.5 61.6 -65.0 -33.8 -11.9 9.9 1.8 55 55 A A H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.875 106.6 44.3 -62.0 -38.4 -10.5 12.4 -0.7 56 56 A E H 3< S+ 0 0 114 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.828 113.6 51.2 -74.5 -30.0 -14.0 13.7 -1.4 57 57 A K T 3< S+ 0 0 104 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.2 0.271 82.4 128.4 -89.5 10.5 -14.7 13.7 2.3 58 58 A A < - 0 0 22 -3,-0.8 -3,-0.1 1,-0.2 6,-0.1 -0.558 47.0-159.8 -71.2 123.7 -11.6 15.7 2.9 59 59 A R S S+ 0 0 176 -2,-0.4 -1,-0.2 1,-0.1 -4,-0.0 0.928 76.2 39.0 -70.7 -47.6 -12.4 18.8 5.0 60 60 A N S > S- 0 0 78 1,-0.1 4,-2.2 0, 0.0 3,-0.3 -0.866 71.2-139.5-108.8 139.1 -9.3 20.8 4.1 61 61 A P H > S+ 0 0 110 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.798 108.0 61.8 -60.3 -27.5 -7.7 20.9 0.7 62 62 A E H > S+ 0 0 113 2,-0.2 4,-1.0 1,-0.2 -4,-0.0 0.918 107.8 40.4 -61.9 -45.6 -4.4 20.8 2.6 63 63 A K H > S+ 0 0 55 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.827 111.0 58.6 -73.9 -32.2 -5.4 17.4 4.0 64 64 A R H X S+ 0 0 83 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.864 97.9 61.0 -64.5 -36.3 -6.8 16.4 0.6 65 65 A Q H X S+ 0 0 139 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.926 105.2 47.5 -54.6 -47.5 -3.3 17.0 -0.9 66 66 A V H X S+ 0 0 50 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.944 116.2 43.1 -59.8 -49.2 -1.9 14.4 1.3 67 67 A I H X S+ 0 0 26 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.925 114.4 49.9 -63.3 -46.1 -4.6 11.9 0.4 68 68 A D H X S+ 0 0 73 -4,-3.7 4,-1.7 2,-0.2 -1,-0.2 0.875 109.7 52.3 -61.9 -39.4 -4.5 12.8 -3.3 69 69 A K H X S+ 0 0 93 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.947 112.7 44.0 -60.0 -47.6 -0.8 12.3 -3.3 70 70 A I H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.865 106.4 62.3 -66.7 -37.3 -1.1 8.8 -1.7 71 71 A L H X S+ 0 0 17 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.895 108.2 41.8 -55.1 -45.2 -4.0 8.0 -4.0 72 72 A E H X S+ 0 0 119 -4,-1.7 4,-2.5 -3,-0.2 -1,-0.2 0.889 113.4 53.5 -69.2 -41.1 -1.7 8.3 -7.0 73 73 A D H X S+ 0 0 22 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.874 108.8 47.4 -66.2 -38.3 1.2 6.5 -5.3 74 74 A E H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.908 112.8 49.0 -70.6 -40.5 -0.9 3.4 -4.4 75 75 A E H X S+ 0 0 89 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.908 109.3 54.8 -57.8 -41.6 -2.2 3.3 -7.9 76 76 A K H X S+ 0 0 71 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.891 106.2 50.7 -58.1 -43.0 1.4 3.6 -9.0 77 77 A H H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.918 107.8 52.1 -62.6 -45.2 2.3 0.6 -6.8 78 78 A I H X S+ 0 0 25 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.887 105.6 56.3 -57.5 -40.0 -0.5 -1.4 -8.4 79 79 A E H X S+ 0 0 114 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.900 107.4 48.4 -59.9 -41.7 0.9 -0.5 -11.8 80 80 A W H X S+ 0 0 77 -4,-1.7 4,-1.7 1,-0.2 3,-0.4 0.926 112.0 47.7 -64.5 -45.8 4.3 -2.0 -10.8 81 81 A H H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.796 103.8 61.8 -69.6 -29.4 2.7 -5.2 -9.5 82 82 A K H < S+ 0 0 140 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.881 105.5 48.0 -59.2 -38.2 0.7 -5.5 -12.7 83 83 A A H >X S+ 0 0 54 -4,-1.2 4,-2.1 -3,-0.4 3,-1.5 0.892 108.0 53.8 -69.1 -40.2 4.0 -5.7 -14.6 84 84 A A H 3< S+ 0 0 29 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 99.4 63.5 -62.2 -29.4 5.2 -8.3 -12.1 85 85 A S T 3< S+ 0 0 75 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.631 108.8 42.0 -70.8 -13.7 2.1 -10.3 -12.9 86 86 A K T <4 S- 0 0 168 -3,-1.5 2,-0.3 1,-0.4 -2,-0.2 0.885 132.0 -17.3 -93.4 -60.7 3.5 -10.5 -16.5 87 87 A Q < + 0 0 160 -4,-2.1 -1,-0.4 2,-0.0 2,-0.3 -0.987 69.9 139.1-148.0 151.8 7.2 -11.3 -15.9 88 88 A G - 0 0 54 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.951 36.3-117.2 179.3 164.8 9.7 -11.0 -13.0 89 89 A N > - 0 0 104 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.839 30.4-114.1-117.3 158.5 12.6 -12.6 -11.2 90 90 A A H > S+ 0 0 68 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.918 116.1 44.3 -56.6 -50.7 12.8 -13.8 -7.6 91 91 A E H > S+ 0 0 165 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 114.8 49.2 -61.5 -45.7 15.4 -11.3 -6.5 92 92 A Q H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 109.5 52.8 -61.5 -39.9 13.6 -8.5 -8.3 93 93 A F H X S+ 0 0 22 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.937 110.2 46.6 -62.6 -47.7 10.3 -9.5 -6.7 94 94 A A H X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.875 113.1 50.5 -61.3 -38.0 11.8 -9.4 -3.2 95 95 A S H X S+ 0 0 68 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.891 108.6 51.7 -67.8 -40.1 13.4 -6.0 -4.0 96 96 A L H X S+ 0 0 36 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.933 110.0 49.6 -60.2 -47.4 10.0 -4.7 -5.3 97 97 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 112.4 46.3 -58.8 -47.3 8.4 -5.8 -2.0 98 98 A Q H X S+ 0 0 112 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.870 114.2 48.1 -66.2 -36.9 11.0 -4.1 0.2 99 99 A Q H X S+ 0 0 78 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.919 111.1 50.1 -69.8 -43.0 10.9 -0.9 -1.9 100 100 A H H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.884 106.3 58.3 -59.0 -39.5 7.1 -0.8 -1.8 101 101 A L H X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.917 102.7 52.1 -56.9 -46.9 7.4 -1.3 2.0 102 102 A Q H X S+ 0 0 99 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.871 108.1 52.3 -58.7 -39.2 9.5 1.8 2.3 103 103 A D H X S+ 0 0 10 -4,-1.5 4,-1.8 1,-0.2 3,-0.4 0.950 109.7 47.1 -63.1 -49.5 6.9 3.8 0.4 104 104 A E H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.844 106.9 58.0 -63.9 -34.6 4.0 2.7 2.7 105 105 A Q H X S+ 0 0 77 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.871 105.3 51.0 -63.6 -36.5 6.1 3.4 5.8 106 106 A R H X S+ 0 0 111 -4,-1.5 4,-2.9 -3,-0.4 -1,-0.2 0.907 107.8 53.0 -63.9 -43.4 6.4 7.0 4.6 107 107 A H H X S+ 0 0 2 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.942 111.9 44.0 -58.6 -49.2 2.6 7.2 4.1 108 108 A V H X S+ 0 0 13 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.920 113.0 52.9 -60.7 -43.6 2.1 6.0 7.7 109 109 A E H X S+ 0 0 135 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.889 114.4 42.1 -57.3 -43.0 4.8 8.4 8.8 110 110 A E H < S+ 0 0 79 -4,-2.9 3,-0.4 1,-0.1 -2,-0.2 0.888 118.0 45.3 -71.7 -41.5 3.0 11.3 7.0 111 111 A I H < S+ 0 0 21 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.869 100.4 65.8 -72.8 -39.4 -0.5 10.3 8.1 112 112 A E H < S+ 0 0 89 -4,-3.0 2,-1.3 -5,-0.2 -1,-0.2 0.755 82.1 84.2 -60.2 -26.7 0.2 9.6 11.8 113 113 A K < - 0 0 164 -4,-0.5 2,-1.6 -3,-0.4 -1,-0.1 -0.659 69.2-162.4 -82.7 97.0 1.0 13.2 12.5 114 114 A K 0 0 156 -2,-1.3 -2,-0.1 1,-0.2 -1,-0.1 -0.619 360.0 360.0 -84.8 84.8 -2.5 14.7 13.0 115 115 A N 0 0 166 -2,-1.6 -1,-0.2 0, 0.0 -2,-0.0 0.236 360.0 360.0-152.2 360.0 -1.8 18.4 12.6