==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-JUL-10 2XL8 . COMPND 2 MOLECULE: CYTOCHROME C'; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR M.A.HOUGH,S.V.ANTONYUK,S.BARBIERI,N.RUSTAGE,A.L.MCKAY,A.E.SE . 126 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 80.2 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 1.6 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 . 15 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 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 1 A X 0 0 168 0, 0.0 2,-0.5 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 11.0 -5.7 23.4 26.9 2 2 A F - 0 0 59 1,-0.1 4,-0.0 9,-0.0 6,-0.0 -0.929 360.0-163.2-118.2 123.2 -2.0 22.3 27.2 3 3 A A S S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.1 3,-0.0 0.875 80.7 8.3 -69.2 -39.9 -0.9 18.8 28.1 4 4 A K S >> S- 0 0 129 1,-0.1 3,-1.5 59,-0.0 4,-1.2 -0.915 83.5-101.3-134.3 163.1 2.7 19.9 29.0 5 5 A P H 3> S+ 0 0 55 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.874 120.1 64.2 -54.1 -34.9 4.6 23.2 29.3 6 6 A E H 3> S+ 0 0 130 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.800 97.9 54.1 -59.6 -33.8 6.0 22.5 25.9 7 7 A D H <> S+ 0 0 67 -3,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.882 108.7 47.7 -70.1 -37.8 2.5 22.7 24.4 8 8 A A H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.3 5,-0.2 0.912 111.7 51.1 -66.1 -40.2 2.0 26.2 25.9 9 9 A V H X S+ 0 0 17 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.932 110.8 48.2 -60.9 -49.8 5.4 27.3 24.7 10 10 A K H X S+ 0 0 150 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 112.7 49.2 -58.4 -43.7 4.5 26.1 21.1 11 11 A Y H X S+ 0 0 91 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.951 112.5 45.0 -60.5 -52.5 1.2 27.8 21.2 12 12 A R H X S+ 0 0 5 -4,-2.7 4,-2.7 46,-0.2 5,-0.2 0.902 112.0 52.3 -66.2 -37.2 2.5 31.2 22.4 13 13 A Q H X S+ 0 0 90 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.901 111.8 46.9 -61.9 -41.5 5.4 31.1 20.0 14 14 A S H X S+ 0 0 64 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.902 112.6 49.1 -64.1 -44.7 2.9 30.5 17.1 15 15 A A H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.925 112.9 47.5 -60.1 -44.1 0.5 33.2 18.3 16 16 A L H X S+ 0 0 54 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.886 109.0 54.1 -67.6 -38.3 3.4 35.7 18.6 17 17 A T H X S+ 0 0 96 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.929 108.2 49.4 -58.4 -46.4 4.7 34.7 15.1 18 18 A L H X S+ 0 0 88 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 111.3 50.9 -65.4 -32.1 1.2 35.4 13.7 19 19 A M H X S+ 0 0 18 -4,-2.1 4,-2.8 1,-0.2 5,-0.4 0.926 106.2 53.1 -66.3 -46.1 1.2 38.9 15.5 20 20 A A H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.896 112.4 46.7 -58.9 -36.5 4.6 39.8 14.2 21 21 A S H X S+ 0 0 54 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.920 113.8 44.4 -74.9 -42.4 3.3 39.1 10.7 22 22 A H H < S+ 0 0 32 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.821 121.9 40.4 -70.4 -29.4 -0.0 41.0 11.0 23 23 A F H >< S+ 0 0 33 -4,-2.8 3,-1.8 -5,-0.2 4,-0.2 0.947 117.4 45.8 -75.9 -56.8 1.7 43.9 12.6 24 24 A G H >< S+ 0 0 31 -4,-2.6 3,-1.9 -5,-0.4 -2,-0.2 0.782 98.4 69.4 -64.2 -29.4 4.9 44.0 10.5 25 25 A R T 3< S+ 0 0 131 -4,-2.0 -1,-0.3 1,-0.3 4,-0.2 0.669 95.0 58.6 -65.3 -13.4 3.1 43.6 7.2 26 26 A M T X> S+ 0 0 2 -3,-1.8 4,-2.6 1,-0.2 3,-0.7 0.566 77.7 93.7 -88.3 -8.6 1.7 47.2 7.7 27 27 A T H <> S+ 0 0 41 -3,-1.9 4,-2.2 1,-0.3 6,-0.2 0.896 84.1 49.0 -53.7 -46.3 5.2 48.8 7.9 28 28 A P H 34>S+ 0 0 48 0, 0.0 6,-1.7 0, 0.0 5,-1.5 0.829 111.9 50.8 -63.8 -32.0 5.4 49.7 4.2 29 29 A V H X45S+ 0 0 14 -3,-0.7 3,-1.3 -4,-0.2 -2,-0.2 0.939 109.5 48.3 -68.0 -46.8 1.9 51.2 4.4 30 30 A V H 3<5S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.2 0.897 113.7 48.6 -60.1 -37.8 2.7 53.3 7.4 31 31 A K T 3<5S- 0 0 139 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.526 112.8-119.0 -76.9 -10.7 5.8 54.5 5.7 32 32 A G T < 5S+ 0 0 61 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.487 84.4 117.0 82.9 2.0 4.0 55.3 2.4 33 33 A Q S - 0 0 89 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.969 17.0-156.2-112.3 109.9 -6.3 51.1 1.4 38 38 A A H > S+ 0 0 40 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.868 90.5 50.2 -56.8 -42.6 -8.4 51.8 4.4 39 39 A A H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 110.2 50.4 -65.7 -41.4 -10.6 48.8 4.1 40 40 A Q H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 113.8 44.7 -58.8 -49.2 -7.6 46.4 3.7 41 41 A I H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.920 110.3 54.6 -67.7 -39.0 -6.0 47.9 6.8 42 42 A K H X S+ 0 0 108 -4,-2.6 4,-1.8 55,-0.3 -1,-0.2 0.930 111.8 45.2 -56.0 -48.5 -9.2 47.9 8.8 43 43 A A H X S+ 0 0 62 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.905 113.5 49.2 -64.6 -41.6 -9.6 44.1 8.1 44 44 A N H X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.913 109.2 51.2 -66.4 -40.8 -6.0 43.4 8.9 45 45 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.872 105.5 57.3 -66.4 -31.4 -6.1 45.3 12.2 46 46 A E H X S+ 0 0 88 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.921 107.9 46.7 -63.1 -42.4 -9.2 43.3 13.2 47 47 A V H X S+ 0 0 63 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.952 112.4 50.8 -61.8 -45.3 -7.2 40.1 12.7 48 48 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.880 106.0 55.4 -60.4 -37.3 -4.3 41.6 14.7 49 49 A K H X S+ 0 0 103 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.931 110.1 45.7 -61.0 -48.7 -6.8 42.5 17.5 50 50 A T H >< S+ 0 0 84 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.942 115.8 45.6 -57.6 -50.2 -7.9 38.9 17.7 51 51 A L H >< S+ 0 0 20 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.868 103.7 63.5 -61.9 -37.6 -4.4 37.6 17.7 52 52 A S H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 4,-0.2 0.595 100.3 53.6 -67.5 -17.1 -3.1 40.1 20.2 53 53 A A T << S+ 0 0 49 -3,-1.1 4,-0.3 -4,-0.6 -1,-0.3 0.539 98.2 69.7 -86.6 -13.7 -5.4 38.7 22.9 54 54 A L S < S+ 0 0 62 -3,-1.7 3,-0.5 -4,-0.4 4,-0.3 0.817 80.1 61.9 -84.7 -34.5 -4.1 35.1 22.5 55 55 A P S > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.845 90.9 67.5 -63.1 -32.8 -0.5 34.7 23.8 56 56 A W G > S+ 0 0 39 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.837 91.5 58.0 -70.0 -30.7 -1.1 35.6 27.4 57 57 A A G 3 S+ 0 0 80 -3,-0.5 3,-0.4 -4,-0.3 -1,-0.3 0.605 99.0 63.9 -70.3 -11.7 -3.2 32.6 28.4 58 58 A A G < S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.3 -46,-0.2 0.214 86.6 71.2 -99.0 15.4 -0.3 30.4 27.3 59 59 A F S < S+ 0 0 27 -3,-1.9 -1,-0.2 -47,-0.1 3,-0.1 -0.234 71.7 152.7-113.3 40.4 2.0 31.8 30.0 60 60 A G > - 0 0 24 -3,-0.4 3,-1.7 1,-0.2 -2,-0.1 -0.052 58.7 -67.6 -67.1 161.3 0.1 30.0 32.7 61 61 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 12,-0.0 -0.305 122.6 21.9 -54.7 141.7 1.9 29.1 36.0 62 62 A G T 3 S+ 0 0 47 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.493 87.1 116.9 80.2 7.3 4.6 26.5 35.5 63 63 A T < + 0 0 19 -3,-1.7 -3,-0.1 -4,-0.1 -1,-0.1 0.024 33.5 152.2 -99.9 28.5 5.0 27.1 31.8 64 64 A E + 0 0 98 -5,-0.1 2,-0.3 3,-0.0 -55,-0.1 -0.230 29.8 94.8 -48.9 140.3 8.6 28.3 31.9 65 65 A G > + 0 0 28 3,-0.3 3,-1.7 -57,-0.1 -2,-0.1 -0.906 50.1 45.5 153.6 179.1 10.2 27.5 28.7 66 66 A G T 3 S- 0 0 36 -2,-0.3 -56,-0.0 1,-0.2 -57,-0.0 -0.305 117.3 -38.4 62.2-140.4 11.1 28.8 25.3 67 67 A D T 3 S+ 0 0 87 -58,-0.1 58,-3.1 2,-0.1 2,-0.4 0.076 99.7 127.6-106.7 21.8 12.7 32.3 25.4 68 68 A A B < -A 124 0A 10 -3,-1.7 -3,-0.3 56,-0.2 56,-0.2 -0.638 59.1-127.9 -77.5 132.2 10.4 33.5 28.2 69 69 A R > - 0 0 80 54,-2.8 3,-1.7 -2,-0.4 4,-0.2 -0.522 14.6-124.9 -76.9 147.3 12.2 35.1 31.1 70 70 A P T >> S+ 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-0.8 0.772 102.0 80.4 -65.1 -21.6 11.2 33.7 34.6 71 71 A E H 3> S+ 0 0 70 1,-0.3 4,-1.1 2,-0.2 8,-0.2 0.725 75.4 77.2 -59.8 -19.7 10.4 37.3 35.8 72 72 A I H <4 S+ 0 0 7 -3,-1.7 7,-0.3 1,-0.2 -1,-0.3 0.884 104.8 33.8 -50.8 -37.5 7.0 36.7 34.0 73 73 A W H <4 S+ 0 0 52 -3,-2.0 3,-0.4 -4,-0.2 -1,-0.2 0.571 105.5 66.2-103.9 -11.9 5.9 34.6 36.9 74 74 A S H < S+ 0 0 101 -4,-0.8 2,-0.2 1,-0.3 -1,-0.2 0.716 116.6 26.8 -84.4 -16.6 7.6 36.2 39.9 75 75 A D X + 0 0 72 -4,-1.1 4,-1.7 1,-0.1 -1,-0.3 -0.730 68.1 175.8-140.8 89.0 5.5 39.4 39.5 76 76 A A H > S+ 0 0 72 -3,-0.4 4,-2.4 -2,-0.2 5,-0.2 0.885 78.7 57.7 -63.0 -34.5 2.2 38.4 37.9 77 77 A A H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 105.2 47.9 -67.8 -41.9 0.8 41.9 38.3 78 78 A S H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 112.6 48.2 -68.2 -40.3 3.6 43.6 36.4 79 79 A F H X S+ 0 0 19 -4,-1.7 4,-2.3 -7,-0.3 5,-0.2 0.918 111.0 52.0 -62.9 -44.1 3.5 41.2 33.4 80 80 A K H X S+ 0 0 129 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.918 107.1 53.4 -59.6 -41.6 -0.3 41.6 33.3 81 81 A Q H X S+ 0 0 143 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.917 108.7 50.1 -58.0 -43.9 0.1 45.4 33.2 82 82 A K H X S+ 0 0 75 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.892 113.4 42.9 -66.0 -43.3 2.4 45.1 30.2 83 83 A Q H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.893 116.0 49.2 -69.2 -36.1 0.1 42.8 28.2 84 84 A Q H X S+ 0 0 87 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.900 111.5 48.8 -69.4 -39.6 -2.9 44.9 29.1 85 85 A A H X S+ 0 0 44 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.932 111.6 50.4 -63.1 -45.1 -1.1 48.1 28.1 86 86 A F H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.944 109.5 50.8 -58.0 -46.3 -0.0 46.5 24.8 87 87 A Q H X S+ 0 0 44 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.880 108.6 51.5 -65.2 -31.4 -3.6 45.5 24.1 88 88 A D H X S+ 0 0 104 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.840 105.7 54.5 -71.8 -29.7 -4.8 49.0 24.8 89 89 A N H X S+ 0 0 42 -4,-2.0 4,-1.8 -3,-0.2 -2,-0.2 0.891 106.8 52.6 -64.7 -38.0 -2.2 50.3 22.3 90 90 A I H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.898 103.2 57.9 -62.5 -39.0 -3.8 47.9 19.9 91 91 A V H X S+ 0 0 81 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.915 105.0 49.9 -56.7 -41.2 -7.2 49.5 20.7 92 92 A K H X S+ 0 0 100 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.904 111.2 49.3 -62.9 -41.5 -5.8 52.9 19.5 93 93 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 15,-0.2 -2,-0.2 0.912 110.5 50.3 -64.0 -43.3 -4.6 51.2 16.3 94 94 A S H X S+ 0 0 11 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.894 109.8 50.6 -57.7 -45.0 -8.0 49.7 15.8 95 95 A A H X S+ 0 0 61 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.923 111.6 47.5 -61.8 -42.9 -9.7 53.0 16.3 96 96 A A H X>S+ 0 0 3 -4,-2.2 5,-2.1 2,-0.2 4,-0.8 0.934 114.6 46.3 -62.1 -44.8 -7.3 54.6 13.8 97 97 A A H ><5S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.2 -55,-0.3 0.905 111.5 51.0 -66.1 -42.8 -7.9 51.8 11.2 98 98 A D H 3<5S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 111.6 48.6 -65.3 -30.8 -11.7 51.9 11.7 99 99 A A H 3<5S- 0 0 75 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.602 106.1-128.1 -83.0 -11.2 -11.7 55.7 11.2 100 100 A G T <<5 + 0 0 32 -4,-0.8 2,-0.8 -3,-0.7 -3,-0.2 0.801 56.7 150.8 66.5 32.3 -9.6 55.4 8.0 101 101 A D >< - 0 0 53 -5,-2.1 4,-2.4 -6,-0.2 -1,-0.2 -0.801 29.7-172.1-108.5 103.1 -7.2 58.0 9.5 102 102 A L H > S+ 0 0 63 -2,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.841 85.1 53.8 -63.5 -38.7 -3.6 57.5 8.2 103 103 A D H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 112.3 44.5 -64.8 -42.8 -2.1 60.0 10.5 104 104 A K H > S+ 0 0 131 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 111.4 55.4 -66.1 -36.6 -3.6 58.3 13.6 105 105 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 -9,-0.2 -2,-0.2 0.940 107.6 47.9 -61.5 -46.0 -2.6 55.0 12.1 106 106 A R H X S+ 0 0 149 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.918 113.9 46.6 -60.1 -46.4 1.1 56.0 11.9 107 107 A A H X S+ 0 0 55 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.943 115.2 45.6 -64.1 -47.9 1.1 57.4 15.4 108 108 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -15,-0.2 0.872 108.5 57.0 -62.9 -38.1 -0.6 54.3 16.9 109 109 A F H X S+ 0 0 22 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.922 107.5 48.5 -60.6 -42.4 1.6 51.9 14.9 110 110 A G H X S+ 0 0 41 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.916 111.8 48.6 -62.0 -44.4 4.7 53.5 16.5 111 111 A D H X S+ 0 0 68 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.900 109.2 52.5 -68.2 -37.1 3.2 53.3 20.0 112 112 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 -23,-0.2 -2,-0.2 0.953 109.6 50.2 -58.1 -48.8 2.2 49.6 19.5 113 113 A G H X S+ 0 0 26 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.900 108.3 52.1 -57.6 -40.8 5.8 48.8 18.4 114 114 A A H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.867 108.2 52.5 -62.6 -36.8 7.2 50.6 21.5 115 115 A S H X S+ 0 0 16 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.876 106.2 52.2 -70.8 -35.6 4.9 48.5 23.6 116 116 A C H X S+ 0 0 34 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.957 112.9 45.7 -56.7 -50.8 6.1 45.2 22.0 117 117 A K H X S+ 0 0 120 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.879 106.2 59.1 -63.2 -39.1 9.7 46.3 22.8 118 118 A A H X S+ 0 0 46 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.906 110.0 43.6 -58.9 -42.7 8.8 47.4 26.4 119 119 A C H >X S+ 0 0 22 -4,-1.6 4,-2.6 1,-0.2 3,-1.1 0.958 113.3 50.6 -68.0 -46.7 7.7 43.8 27.1 120 120 A H H 3X S+ 0 0 88 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.884 103.8 58.5 -57.4 -40.1 10.6 42.2 25.4 121 121 A D H 3< S+ 0 0 63 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.759 119.5 29.9 -67.6 -22.2 13.1 44.4 27.3 122 122 A A H << S+ 0 0 29 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.714 135.1 23.0 -96.8 -30.3 11.7 43.0 30.6 123 123 A Y H < S+ 0 0 23 -4,-2.6 -54,-2.8 -5,-0.1 2,-0.5 0.443 94.3 89.3-131.4 -2.7 10.6 39.5 29.7 124 124 A F B < S-A 68 0A 86 -4,-2.1 2,-1.1 -5,-0.3 -56,-0.2 -0.882 70.1-128.4-104.6 130.0 12.3 38.1 26.6 125 125 A K 0 0 106 -58,-3.1 -4,-0.1 -2,-0.5 -3,-0.0 -0.648 360.0 360.0 -73.2 95.1 15.6 36.1 26.9 126 126 A K 0 0 188 -2,-1.1 -5,-0.0 -6,-0.1 -1,-0.0 -0.393 360.0 360.0 -72.1 360.0 17.8 37.9 24.4