==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 11-NOV-04 1XZ3 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR R.LIU,P.J.LOLL,R.G.ECKENHOFF . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9508.0 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 . 3 1.8 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 . 114 67.9 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 0 1 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 80 0, 0.0 3,-0.5 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 138.4 51.7 18.1 21.8 2 3 A Q T 3 + 0 0 196 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.695 360.0 41.3 -60.6 -24.1 51.4 19.7 18.3 3 4 A I T 3 S+ 0 0 87 69,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.601 83.5 119.6 -99.5 -15.8 47.8 20.6 19.0 4 5 A R < + 0 0 73 -3,-0.5 2,-0.3 68,-0.2 68,-0.1 -0.309 31.7 160.9 -63.0 127.3 48.0 21.8 22.6 5 6 A Q - 0 0 159 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.932 65.1 -10.1-151.4 121.5 46.9 25.4 23.1 6 7 A N S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.805 91.6 131.5 63.8 32.0 45.9 27.2 26.3 7 8 A Y - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.903 46.5-149.1-120.9 101.7 45.7 23.9 28.2 8 9 A S > - 0 0 21 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.219 20.6-124.9 -71.5 154.3 47.6 24.1 31.5 9 10 A T H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.803 112.3 60.4 -64.0 -27.1 49.3 21.2 33.2 10 11 A E H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 107.8 42.1 -67.9 -44.9 47.2 22.0 36.3 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 112.2 54.3 -66.0 -46.5 43.9 21.4 34.3 12 13 A E H X S+ 0 0 31 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 112.0 45.1 -52.1 -46.7 45.4 18.3 32.6 13 14 A A H X S+ 0 0 59 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.900 112.5 50.2 -67.0 -41.1 46.2 16.8 36.0 14 15 A A H X S+ 0 0 26 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.852 107.1 55.1 -68.6 -32.9 42.9 17.7 37.5 15 16 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.931 106.9 50.8 -64.1 -42.7 41.1 16.1 34.5 16 17 A N H X S+ 0 0 19 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.898 110.5 49.3 -60.8 -41.3 43.0 12.8 35.2 17 18 A R H X S+ 0 0 142 -4,-1.9 4,-2.8 2,-0.2 3,-0.4 0.984 109.7 51.2 -57.3 -54.4 41.9 13.0 38.9 18 19 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.858 106.0 55.4 -57.1 -35.4 38.3 13.6 37.8 19 20 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.942 108.4 48.1 -60.0 -45.4 38.5 10.6 35.5 20 21 A N H X S+ 0 0 28 -4,-1.8 4,-2.5 -3,-0.4 -2,-0.2 0.904 111.1 51.3 -61.1 -41.2 39.6 8.5 38.5 21 22 A L H X S+ 0 0 18 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.903 111.3 46.8 -61.4 -45.8 36.7 9.9 40.6 22 23 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.884 112.9 48.6 -66.6 -38.6 34.2 9.1 37.9 23 24 A L H X S+ 0 0 43 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 111.3 50.4 -67.4 -40.9 35.5 5.5 37.5 24 25 A R H X S+ 0 0 86 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.872 110.7 49.8 -59.6 -41.6 35.4 5.1 41.3 25 26 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 108.7 51.8 -65.7 -41.2 31.8 6.3 41.2 26 27 A S H X S+ 0 0 19 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.919 110.8 48.8 -58.6 -41.8 31.0 3.8 38.4 27 28 A Y H X S+ 0 0 106 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 108.9 53.0 -67.8 -40.4 32.5 1.0 40.5 28 29 A T H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.925 109.9 47.7 -60.6 -42.5 30.5 2.1 43.6 29 30 A Y H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.823 107.4 56.1 -71.5 -32.4 27.3 2.0 41.6 30 31 A L H X S+ 0 0 74 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.927 110.7 45.3 -58.8 -45.9 28.2 -1.5 40.2 31 32 A S H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.918 113.5 49.7 -66.7 -41.7 28.5 -2.7 43.8 32 33 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.944 110.9 49.9 -60.0 -50.2 25.3 -1.0 44.9 33 34 A G H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 3,-0.2 0.936 112.3 45.3 -56.1 -52.1 23.4 -2.5 41.9 34 35 A F H < S+ 0 0 90 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.806 106.0 60.7 -68.7 -26.4 24.5 -6.0 42.6 35 36 A Y H >< S+ 0 0 30 -4,-1.9 3,-1.4 1,-0.2 7,-0.3 0.926 104.7 49.2 -60.7 -42.4 23.8 -5.8 46.3 36 37 A F H 3< S+ 0 0 0 -4,-1.7 7,-2.3 1,-0.3 11,-0.3 0.631 104.0 61.6 -75.9 -9.9 20.1 -5.1 45.5 37 38 A D T 3< S+ 0 0 100 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.479 78.3 116.9 -86.2 -8.8 20.2 -8.2 43.2 38 39 A R S X> S- 0 0 84 -3,-1.4 4,-2.6 -4,-0.3 3,-1.9 -0.351 76.3-124.3 -58.0 142.5 21.0 -10.4 46.2 39 40 A D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.764 112.8 52.2 -61.1 -26.2 18.3 -13.0 46.9 40 41 A D T 34 S+ 0 0 101 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.258 120.5 32.0 -94.5 10.3 18.1 -11.7 50.5 41 42 A V T <4 S+ 0 0 30 -3,-1.9 -2,-0.2 -6,-0.1 -5,-0.1 0.568 78.8 171.4-124.8 -61.2 17.6 -8.1 49.3 42 43 A A < + 0 0 65 -4,-2.6 2,-0.5 -7,-0.3 -5,-0.2 0.886 15.7 145.3 57.7 57.6 15.8 -8.5 46.0 43 44 A L >> - 0 0 15 -7,-2.3 4,-2.1 1,-0.1 3,-0.7 -0.814 22.3-177.5-124.4 88.8 14.7 -5.0 45.0 44 45 A E H 3> S+ 0 0 151 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.851 79.1 53.1 -60.0 -40.7 15.0 -5.1 41.2 45 46 A G H 3> S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.835 110.0 48.5 -65.6 -32.9 14.1 -1.5 40.6 46 47 A V H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 5,-0.2 0.909 110.2 51.8 -72.7 -42.6 16.8 -0.3 43.0 47 48 A C H X S+ 0 0 10 -4,-2.1 4,-2.5 -11,-0.3 -2,-0.2 0.927 111.7 46.8 -56.4 -46.6 19.3 -2.6 41.3 48 49 A H H X S+ 0 0 112 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.874 107.9 56.0 -66.9 -40.0 18.4 -1.2 37.9 49 50 A F H X S+ 0 0 28 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.911 114.0 39.9 -54.7 -47.5 18.6 2.5 39.1 50 51 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.863 112.1 54.5 -77.9 -34.6 22.1 2.0 40.4 51 52 A R H X S+ 0 0 121 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.917 108.2 51.0 -65.5 -38.4 23.3 -0.1 37.4 52 53 A E H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.900 108.8 51.4 -61.9 -40.2 22.1 2.7 35.1 53 54 A L H X S+ 0 0 4 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.870 104.2 57.5 -66.0 -34.9 24.1 5.2 37.1 54 55 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.926 108.6 46.9 -59.0 -42.8 27.2 3.0 36.9 55 56 A E H X S+ 0 0 80 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.921 110.9 51.8 -64.3 -45.0 26.9 3.3 33.1 56 57 A E H X S+ 0 0 66 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.901 111.0 46.6 -61.0 -41.8 26.4 7.0 33.2 57 58 A K H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.899 111.0 52.0 -69.3 -39.5 29.5 7.6 35.4 58 59 A R H X S+ 0 0 94 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.925 109.4 50.5 -59.4 -44.4 31.6 5.4 33.1 59 60 A E H X S+ 0 0 63 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.861 106.7 55.1 -62.6 -35.7 30.4 7.4 30.1 60 61 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.936 107.4 49.4 -60.0 -48.6 31.4 10.6 32.0 61 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 110.2 51.2 -56.0 -44.0 34.9 9.3 32.4 62 63 A E H X S+ 0 0 102 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.867 108.5 50.9 -64.4 -37.7 35.1 8.4 28.8 63 64 A R H X S+ 0 0 83 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.895 110.3 49.9 -66.0 -40.4 33.9 11.9 27.8 64 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.905 110.9 49.8 -64.2 -39.7 36.6 13.4 30.0 65 66 A L H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.908 110.0 50.2 -65.5 -40.9 39.2 11.1 28.4 66 67 A K H X S+ 0 0 139 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 112.3 47.5 -60.8 -43.8 38.1 12.1 24.9 67 68 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 6,-0.3 0.900 106.5 57.9 -66.4 -41.9 38.4 15.8 25.8 68 69 A Q H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.5 0.941 111.3 42.1 -51.9 -50.2 41.8 15.2 27.4 69 70 A N H ><5S+ 0 0 95 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.878 109.4 58.0 -66.1 -37.8 43.0 13.9 24.0 70 71 A Q H 3<5S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.832 110.5 44.4 -62.1 -31.0 41.2 16.6 22.0 71 72 A R T 3<5S- 0 0 26 -4,-1.9 -66,-0.4 -3,-0.3 -1,-0.3 0.486 119.8-108.5 -91.0 -8.4 43.2 19.2 24.0 72 73 A G T < 5S+ 0 0 1 -3,-0.9 -3,-0.2 -4,-0.5 -68,-0.2 0.596 72.9 137.3 88.8 11.5 46.5 17.4 23.7 73 74 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.3 -0.324 52.7-117.9 -79.4 171.6 46.7 16.3 27.3 74 75 A R - 0 0 131 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.962 17.7-127.1-123.0 119.0 47.8 12.8 28.3 75 76 A A - 0 0 35 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.387 25.5-174.9 -58.3 132.7 45.6 10.3 30.1 76 77 A L - 0 0 110 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.970 9.8-155.7-135.0 116.5 47.2 8.9 33.2 77 78 A F - 0 0 125 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.695 8.2-166.8 -97.0 146.2 45.3 6.2 35.0 78 79 A Q - 0 0 136 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.805 38.0 -71.9-122.6 167.2 45.6 5.3 38.7 79 80 A D - 0 0 156 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.227 47.5-130.7 -52.0 141.8 44.5 2.4 40.8 80 81 A L - 0 0 74 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.914 19.5-135.6-102.0 115.4 40.7 2.4 41.4 81 82 A Q - 0 0 107 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.353 24.2-107.4 -68.2 146.0 39.9 2.0 45.1 82 83 A K - 0 0 141 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.254 48.6 -80.1 -70.2 158.3 37.1 -0.4 46.0 83 84 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.215 40.4-111.1 -60.1 159.6 33.8 1.1 47.1 84 85 A S S S+ 0 0 106 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.653 97.1 33.0 -70.4 -20.8 33.4 2.2 50.7 85 86 A Q - 0 0 86 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.943 53.6-157.1-133.3 156.0 31.1 -0.6 51.7 86 87 A D S S+ 0 0 125 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.665 93.4 35.7 -95.5 -29.5 30.5 -4.3 50.8 87 88 A E - 0 0 114 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.981 67.9-160.7-128.1 139.3 26.9 -4.2 51.9 88 89 A W - 0 0 4 -2,-0.4 2,-0.2 1,-0.3 9,-0.1 0.343 21.5-145.5-111.7 4.4 24.6 -1.2 51.5 89 90 A G - 0 0 29 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.418 56.1 -5.8 75.2-137.0 21.7 -1.7 54.0 90 91 A T S > S- 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.372 74.5 -99.3 -90.2 173.7 18.3 -0.4 53.0 91 92 A T H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 126.7 52.3 -55.1 -42.9 17.2 1.6 49.9 92 93 A L H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 108.6 48.2 -60.1 -48.8 17.3 4.7 52.2 93 94 A D H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.923 114.8 47.7 -55.9 -44.6 20.9 4.0 53.3 94 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.894 110.3 49.3 -67.3 -44.6 21.9 3.4 49.7 95 96 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.836 110.1 52.3 -64.4 -35.1 20.3 6.5 48.4 96 97 A K H X S+ 0 0 96 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 110.5 48.2 -63.8 -44.0 21.9 8.6 51.1 97 98 A A H X S+ 0 0 29 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.869 110.6 52.3 -62.6 -39.8 25.3 7.2 50.1 98 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.887 108.1 49.1 -65.3 -40.8 24.6 7.9 46.5 99 100 A I H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.901 109.8 52.2 -72.0 -34.8 23.7 11.6 47.2 100 101 A V H X S+ 0 0 101 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.919 111.6 48.1 -59.2 -44.0 26.9 12.0 49.2 101 102 A L H X S+ 0 0 30 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.916 111.1 48.9 -64.3 -46.4 28.8 10.5 46.3 102 103 A E H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.863 109.5 51.9 -63.1 -39.0 27.2 12.8 43.7 103 104 A K H X S+ 0 0 122 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.864 107.9 53.1 -65.3 -37.1 27.8 15.9 45.8 104 105 A S H X S+ 0 0 60 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.896 111.9 44.9 -62.8 -39.4 31.5 14.9 46.0 105 106 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.907 112.0 52.3 -69.5 -43.7 31.6 14.6 42.1 106 107 A N H X S+ 0 0 29 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.918 108.8 50.2 -58.3 -44.2 29.7 17.9 41.8 107 108 A Q H X S+ 0 0 99 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.881 109.0 51.8 -63.0 -38.3 32.2 19.6 44.1 108 109 A A H X S+ 0 0 4 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.906 110.4 49.1 -64.1 -41.0 35.1 18.2 42.0 109 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.908 111.7 48.9 -61.7 -44.2 33.5 19.6 38.8 110 111 A L H X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.889 110.5 50.2 -64.0 -42.4 33.0 23.0 40.5 111 112 A D H X S+ 0 0 85 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.886 111.1 49.8 -61.1 -40.8 36.7 23.0 41.6 112 113 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.893 109.9 50.3 -67.4 -39.2 37.8 22.1 38.1 113 114 A H H X S+ 0 0 46 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