==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 30-OCT-08 3F35 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR L.S.VEDULA,N.J.ECONOMOU,M.J.ROSSI,R.G.ECKENHOFF,P.J.LOLL . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 77.4 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 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 2 A S > 0 0 88 0, 0.0 3,-0.5 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 125.1 52.1 18.3 21.8 2 3 A Q T 3 + 0 0 196 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.761 360.0 38.9 -63.9 -23.1 51.6 19.8 18.3 3 4 A I T 3 S+ 0 0 90 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.656 84.6 116.2-100.6 -15.3 48.0 20.5 19.1 4 5 A R < + 0 0 75 -3,-0.5 2,-0.3 68,-0.2 68,-0.1 -0.326 34.7 163.3 -67.0 129.9 48.1 21.7 22.7 5 6 A Q - 0 0 157 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.938 64.3 -11.8-152.5 122.1 47.1 25.4 23.1 6 7 A N S S+ 0 0 96 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.828 91.5 132.0 60.8 31.5 46.1 27.2 26.3 7 8 A Y - 0 0 10 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.908 47.2-147.9-119.6 105.9 45.9 23.9 28.2 8 9 A S > - 0 0 19 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.233 20.2-124.1 -77.0 154.0 47.7 24.2 31.6 9 10 A T H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.848 113.1 59.5 -62.5 -27.6 49.5 21.3 33.3 10 11 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 107.8 42.4 -68.0 -41.9 47.3 22.0 36.3 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.939 112.2 54.7 -67.5 -45.5 44.1 21.4 34.4 12 13 A E H X S+ 0 0 31 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.923 112.3 44.1 -53.1 -44.1 45.6 18.3 32.7 13 14 A A H X S+ 0 0 35 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.888 113.0 50.0 -71.1 -43.5 46.4 16.9 36.1 14 15 A A H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.834 108.0 54.2 -63.1 -35.3 43.0 17.7 37.6 15 16 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.935 107.3 51.2 -64.2 -42.0 41.2 16.2 34.6 16 17 A N H X S+ 0 0 19 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.910 111.0 48.4 -61.7 -37.9 43.2 12.9 35.2 17 18 A R H X S+ 0 0 164 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.927 109.8 51.7 -67.4 -41.0 42.1 13.0 38.9 18 19 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.871 105.4 56.0 -64.9 -33.8 38.5 13.6 38.0 19 20 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.945 107.7 48.8 -59.7 -43.7 38.6 10.6 35.6 20 21 A N H X S+ 0 0 29 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.931 110.0 51.7 -63.5 -43.1 39.7 8.5 38.6 21 22 A L H X S+ 0 0 37 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.893 111.2 47.1 -59.8 -41.6 36.8 9.9 40.7 22 23 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.871 112.2 48.8 -67.7 -41.3 34.2 9.1 38.1 23 24 A L H X S+ 0 0 45 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.905 111.7 50.5 -66.2 -35.2 35.5 5.6 37.5 24 25 A R H X S+ 0 0 88 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.894 109.6 50.2 -67.1 -35.8 35.5 5.1 41.3 25 26 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.913 109.0 52.6 -67.3 -41.3 31.9 6.3 41.4 26 27 A S H X S+ 0 0 17 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 110.3 48.3 -58.4 -42.3 31.0 3.9 38.6 27 28 A Y H X S+ 0 0 104 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.899 109.2 52.5 -65.9 -45.3 32.6 1.1 40.7 28 29 A T H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.935 111.1 46.8 -54.5 -49.0 30.7 2.1 43.8 29 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.812 107.7 56.6 -65.6 -32.2 27.4 2.0 41.9 30 31 A L H X S+ 0 0 71 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.931 110.5 45.3 -60.9 -44.5 28.3 -1.4 40.4 31 32 A S H X S+ 0 0 33 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 113.1 49.8 -65.5 -43.3 28.6 -2.7 44.0 32 33 A L H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.933 110.0 52.3 -61.0 -45.9 25.4 -1.0 45.0 33 34 A G H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.939 111.7 44.0 -56.0 -50.5 23.5 -2.5 42.1 34 35 A F H < S+ 0 0 97 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.834 106.4 60.3 -73.3 -28.6 24.6 -6.0 42.8 35 36 A Y H >< S+ 0 0 30 -4,-2.3 3,-1.6 1,-0.2 7,-0.3 0.916 105.3 49.4 -56.8 -43.9 24.0 -5.8 46.5 36 37 A F H 3< S+ 0 0 0 -4,-1.7 7,-2.3 1,-0.3 11,-0.3 0.679 104.2 60.2 -76.1 -12.0 20.2 -5.0 45.7 37 38 A D T 3< S+ 0 0 100 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.431 79.0 118.9 -84.2 -8.5 20.2 -8.1 43.4 38 39 A R S X> S- 0 0 81 -3,-1.6 4,-2.6 -4,-0.3 3,-2.0 -0.389 74.6-125.4 -57.6 142.2 21.1 -10.4 46.4 39 40 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.797 112.1 52.1 -63.6 -26.4 18.4 -13.0 47.0 40 41 A D T 34 S+ 0 0 98 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.258 120.6 31.8 -92.4 11.2 18.2 -11.8 50.6 41 42 A V T <4 S+ 0 0 33 -3,-2.0 -2,-0.2 -5,-0.1 -5,-0.1 0.538 79.4 171.6-125.2 -62.0 17.7 -8.1 49.6 42 43 A A < + 0 0 66 -4,-2.6 2,-0.5 -7,-0.3 -5,-0.2 0.872 16.6 143.8 58.8 55.4 15.8 -8.6 46.3 43 44 A L >> - 0 0 14 -7,-2.3 4,-2.2 1,-0.1 3,-0.5 -0.823 22.2-179.2-122.2 90.2 14.8 -5.0 45.3 44 45 A E H 3> S+ 0 0 146 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.834 77.0 55.3 -70.1 -32.5 15.1 -5.1 41.5 45 46 A G H 3> S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.854 110.3 48.4 -66.0 -33.8 14.1 -1.5 40.8 46 47 A V H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 5,-0.3 0.920 110.0 51.3 -69.3 -45.8 16.8 -0.3 43.2 47 48 A C H X S+ 0 0 12 -4,-2.2 4,-2.6 -11,-0.3 5,-0.2 0.938 111.8 46.8 -54.6 -48.8 19.4 -2.6 41.5 48 49 A H H X S+ 0 0 126 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.907 108.2 56.3 -64.8 -39.5 18.4 -1.2 38.1 49 50 A F H X S+ 0 0 29 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.938 114.0 39.5 -57.3 -46.7 18.6 2.4 39.4 50 51 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.861 112.0 55.1 -76.0 -31.8 22.2 1.9 40.6 51 52 A R H X S+ 0 0 119 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.901 107.3 50.5 -64.8 -38.2 23.3 -0.1 37.6 52 53 A E H X S+ 0 0 72 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.902 108.8 52.5 -68.5 -38.4 22.2 2.6 35.3 53 54 A L H X S+ 0 0 12 -4,-1.6 4,-2.4 -5,-0.2 5,-0.3 0.880 104.8 56.7 -61.3 -36.2 24.1 5.2 37.4 54 55 A A H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.939 108.6 46.9 -60.1 -44.5 27.3 2.9 37.1 55 56 A E H X S+ 0 0 62 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.913 110.6 51.2 -63.7 -45.4 26.9 3.2 33.4 56 57 A E H X S+ 0 0 60 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.918 111.3 47.9 -57.6 -42.2 26.4 7.1 33.4 57 58 A K H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.886 110.4 51.4 -71.1 -36.5 29.5 7.6 35.6 58 59 A R H X S+ 0 0 101 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.925 110.5 48.8 -62.0 -44.6 31.6 5.3 33.3 59 60 A E H X S+ 0 0 61 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.893 107.9 55.8 -61.5 -38.0 30.4 7.4 30.3 60 61 A G H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.933 107.5 48.1 -56.0 -54.1 31.4 10.6 32.2 61 62 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.880 110.7 51.0 -55.3 -43.8 34.9 9.3 32.6 62 63 A E H X S+ 0 0 102 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.853 107.9 52.7 -65.3 -32.9 35.2 8.3 28.9 63 64 A R H X S+ 0 0 103 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 109.7 49.3 -67.3 -37.7 34.0 11.8 27.9 64 65 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.891 111.2 49.4 -64.7 -38.5 36.7 13.4 30.1 65 66 A L H X S+ 0 0 33 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.885 109.8 50.5 -70.6 -38.9 39.4 11.1 28.6 66 67 A K H X S+ 0 0 141 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.925 112.2 48.1 -61.8 -41.6 38.2 12.0 25.0 67 68 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 6,-0.2 0.908 106.4 56.9 -65.3 -44.2 38.5 15.7 26.0 68 69 A Q H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-0.5 0.942 112.4 41.9 -51.4 -52.8 42.0 15.2 27.5 69 70 A N H ><5S+ 0 0 93 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.881 109.1 58.3 -63.0 -37.8 43.2 13.8 24.1 70 71 A Q H 3<5S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.855 110.9 44.1 -61.9 -32.3 41.3 16.5 22.1 71 72 A R T 3<5S- 0 0 27 -4,-2.0 -66,-0.4 -3,-0.2 -1,-0.3 0.485 119.9-107.9 -89.2 -3.4 43.3 19.1 24.0 72 73 A G T < 5S+ 0 0 2 -3,-1.1 -3,-0.2 -4,-0.5 -68,-0.2 0.626 73.2 138.5 82.5 14.2 46.6 17.4 23.7 73 74 A G < - 0 0 0 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.319 53.4-118.3 -80.6 171.2 46.7 16.3 27.4 74 75 A R - 0 0 135 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.955 19.0-129.2-122.2 118.7 48.0 12.8 28.3 75 76 A A - 0 0 34 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.371 26.1-175.1 -59.0 131.9 45.6 10.4 30.2 76 77 A L - 0 0 113 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.989 9.6-153.6-134.4 125.1 47.3 8.9 33.3 77 78 A F - 0 0 124 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.741 9.5-170.1-100.9 145.4 45.4 6.2 35.2 78 79 A Q - 0 0 142 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.808 39.6 -70.0-120.4 173.1 45.6 5.2 38.8 79 80 A D - 0 0 127 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.219 44.6-128.4 -56.2 146.1 44.3 2.4 41.0 80 81 A L - 0 0 68 -57,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.902 22.6-133.4 -98.0 114.6 40.6 2.4 41.5 81 82 A Q - 0 0 108 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.421 25.8-108.3 -62.4 138.7 39.9 2.1 45.2 82 83 A K - 0 0 147 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.255 50.5 -81.5 -61.5 154.8 37.3 -0.5 46.1 83 84 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.188 39.6-112.7 -60.2 157.2 34.0 1.0 47.2 84 85 A S S S+ 0 0 103 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.605 96.1 40.5 -69.3 -18.2 33.7 2.1 50.9 85 86 A Q - 0 0 82 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.955 53.1-160.9-131.3 153.4 31.2 -0.6 51.8 86 87 A D S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.677 92.3 32.2 -95.8 -29.5 30.7 -4.3 51.0 87 88 A E - 0 0 111 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.992 68.6-158.0-129.6 141.2 27.0 -4.2 52.1 88 89 A W - 0 0 4 -2,-0.3 9,-0.1 1,-0.3 2,-0.1 0.277 22.3-145.2-112.0 6.1 24.8 -1.1 51.7 89 90 A G - 0 0 30 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.366 56.5 -4.5 73.6-138.9 21.9 -1.6 54.2 90 91 A T S > S- 0 0 58 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.349 74.4-101.6 -87.8 173.9 18.4 -0.3 53.3 91 92 A T H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 126.5 54.7 -55.5 -41.1 17.3 1.6 50.2 92 93 A L H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 107.7 46.6 -58.7 -48.3 17.4 4.6 52.5 93 94 A D H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 114.5 49.0 -59.5 -39.6 21.1 4.0 53.5 94 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.903 109.9 48.7 -71.1 -43.4 22.0 3.5 49.9 95 96 A M H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.876 111.2 51.4 -67.3 -35.3 20.3 6.6 48.6 96 97 A K H X S+ 0 0 92 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.937 111.3 47.8 -63.9 -44.3 22.0 8.7 51.4 97 98 A A H X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.902 110.3 53.2 -61.7 -40.5 25.4 7.2 50.4 98 99 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.895 108.7 48.4 -61.1 -40.7 24.6 7.9 46.7 99 100 A I H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.913 109.7 52.0 -70.0 -39.1 23.8 11.6 47.4 100 101 A V H X S+ 0 0 103 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.933 111.8 48.4 -54.6 -48.4 27.0 12.0 49.4 101 102 A L H X S+ 0 0 28 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 111.8 47.8 -59.3 -49.3 28.9 10.5 46.4 102 103 A E H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.883 108.5 53.8 -64.9 -38.0 27.2 12.8 43.9 103 104 A K H X S+ 0 0 121 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.857 107.8 51.7 -63.7 -36.2 27.9 15.9 46.0 104 105 A S H X S+ 0 0 56 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.889 111.5 46.8 -64.1 -37.5 31.6 15.0 46.1 105 106 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 112.0 50.2 -70.1 -42.7 31.7 14.6 42.3 106 107 A N H X S+ 0 0 29 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.891 109.9 50.8 -60.1 -42.7 29.8 18.0 41.9 107 108 A Q H X S+ 0 0 100 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.893 109.4 50.8 -64.4 -39.2 32.3 19.7 44.3 108 109 A A H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.894 111.0 49.3 -63.1 -40.4 35.2 18.2 42.2 109 110 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 111.4 48.4 -61.8 -44.1 33.5 19.6 39.0 110 111 A L H X S+ 0 0 76 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.882 111.1 50.9 -65.8 -41.6 33.1 23.0 40.6 111 112 A D H X S+ 0 0 92 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.899 111.4 48.2 -60.4 -43.0 36.7 23.0 41.7 112 113 A L H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.881 110.1 50.9 -64.5 -37.0 37.9 22.1 38.2 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