==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-MAR-11 3RAV . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.H.OAKLEY,L.S.VEDULA,J.XI,R.LIU,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) . 9595.0 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 68.5 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 0 3 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 85 0, 0.0 3,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 135.0 51.9 18.3 21.6 2 3 A Q + 0 0 196 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.789 360.0 37.2 -62.7 -28.4 51.4 19.7 18.2 3 4 A I S S+ 0 0 87 69,-0.0 -1,-0.2 2,-0.0 69,-0.1 0.685 84.3 117.6 -99.0 -19.8 47.8 20.5 19.0 4 5 A R + 0 0 74 68,-0.2 2,-0.3 -3,-0.1 68,-0.1 -0.249 34.0 161.8 -60.1 128.8 48.0 21.6 22.6 5 6 A Q - 0 0 158 66,-0.4 3,-0.1 3,-0.0 -3,-0.0 -0.930 64.4 -10.0-153.5 122.7 46.9 25.3 23.1 6 7 A N S S+ 0 0 96 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.785 91.6 133.1 60.9 30.1 45.9 27.1 26.2 7 8 A Y - 0 0 10 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.887 46.2-148.5-117.4 101.1 45.8 23.8 28.1 8 9 A S > - 0 0 19 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.220 19.6-125.9 -73.3 155.5 47.5 24.1 31.5 9 10 A T H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.832 112.3 58.5 -66.0 -30.5 49.4 21.3 33.2 10 11 A E H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 108.5 42.8 -64.1 -47.0 47.2 22.0 36.2 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.920 112.0 54.5 -65.5 -44.6 44.0 21.4 34.3 12 13 A E H X S+ 0 0 31 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 112.0 44.4 -53.7 -48.5 45.4 18.3 32.6 13 14 A A H X S+ 0 0 36 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.915 113.0 50.8 -63.9 -45.0 46.3 16.8 36.0 14 15 A A H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.841 107.1 54.2 -60.9 -36.3 42.9 17.7 37.5 15 16 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.919 107.0 51.6 -67.1 -40.2 41.1 16.1 34.5 16 17 A N H X S+ 0 0 18 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.890 109.9 49.1 -60.7 -38.4 43.0 12.9 35.2 17 18 A R H X S+ 0 0 152 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 109.4 52.0 -67.7 -39.2 41.9 13.0 38.8 18 19 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.871 105.2 55.8 -64.5 -37.0 38.3 13.6 37.8 19 20 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.944 107.8 49.1 -57.8 -46.0 38.5 10.6 35.5 20 21 A N H X S+ 0 0 39 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.918 110.0 51.4 -59.3 -43.9 39.6 8.5 38.5 21 22 A L H X S+ 0 0 75 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.892 111.6 47.0 -61.4 -41.6 36.7 9.9 40.6 22 23 A Y H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.896 112.1 48.7 -68.8 -42.4 34.2 9.1 37.9 23 24 A L H X S+ 0 0 42 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.890 113.1 48.8 -62.6 -39.2 35.5 5.5 37.4 24 25 A R H X S+ 0 0 84 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.898 109.8 51.1 -68.8 -38.5 35.4 5.0 41.1 25 26 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 109.7 51.2 -61.1 -43.1 31.8 6.3 41.3 26 27 A S H X S+ 0 0 20 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 109.9 49.4 -57.6 -43.4 31.0 3.9 38.5 27 28 A Y H X S+ 0 0 98 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.904 108.9 52.7 -63.4 -45.4 32.6 1.1 40.5 28 29 A T H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 110.1 47.9 -55.1 -46.7 30.6 2.1 43.6 29 30 A Y H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.838 106.7 57.0 -67.0 -34.1 27.3 2.0 41.6 30 31 A L H X S+ 0 0 71 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.930 110.5 44.6 -57.7 -46.7 28.2 -1.4 40.2 31 32 A S H X S+ 0 0 34 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.917 112.9 50.4 -65.6 -45.4 28.5 -2.7 43.8 32 33 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.937 110.6 51.3 -55.1 -49.8 25.3 -0.9 44.9 33 34 A G H X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.924 111.5 44.0 -55.2 -51.8 23.5 -2.5 41.9 34 35 A F H < S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.795 106.7 61.5 -71.2 -24.4 24.5 -6.1 42.6 35 36 A Y H >< S+ 0 0 30 -4,-1.9 3,-1.6 1,-0.2 7,-0.3 0.929 104.6 48.2 -61.1 -44.6 23.9 -5.7 46.3 36 37 A F H 3< S+ 0 0 0 -4,-1.7 7,-2.3 1,-0.3 11,-0.3 0.651 104.4 62.0 -73.8 -11.3 20.2 -5.0 45.5 37 38 A D T 3< S+ 0 0 101 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.455 78.0 117.8 -87.0 -4.7 20.2 -8.1 43.2 38 39 A R S X> S- 0 0 78 -3,-1.6 4,-2.7 -4,-0.2 3,-2.0 -0.386 74.9-125.5 -62.0 142.4 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 0.766 113.0 51.9 -61.9 -24.2 18.3 -13.0 46.9 40 41 A D T 34 S+ 0 0 98 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.300 120.1 32.9 -96.1 8.5 18.2 -11.7 50.5 41 42 A V T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.588 79.1 173.5-120.5 -58.0 17.7 -8.1 49.4 42 43 A A < + 0 0 67 -4,-2.7 2,-0.5 -7,-0.3 -5,-0.2 0.889 17.8 143.3 57.0 54.4 15.7 -8.5 46.1 43 44 A L >> + 0 0 15 -7,-2.3 4,-2.4 1,-0.1 3,-0.6 -0.768 20.8 178.9-123.2 87.4 14.8 -5.0 45.1 44 45 A E H 3> S+ 0 0 148 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.823 77.9 55.0 -63.3 -37.0 15.0 -5.1 41.3 45 46 A G H 3> S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.871 111.0 46.5 -61.6 -36.7 14.0 -1.5 40.8 46 47 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.919 110.5 52.5 -73.0 -43.4 16.8 -0.3 43.1 47 48 A C H X S+ 0 0 12 -4,-2.4 4,-2.4 -11,-0.3 -2,-0.2 0.935 111.5 46.8 -54.2 -49.0 19.3 -2.6 41.4 48 49 A H H X S+ 0 0 111 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.906 107.6 56.6 -63.4 -42.1 18.3 -1.2 38.0 49 50 A F H X S+ 0 0 30 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.913 113.7 39.8 -54.0 -45.9 18.5 2.4 39.3 50 51 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.865 111.4 55.4 -77.4 -35.4 22.1 1.9 40.4 51 52 A R H X S+ 0 0 101 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.894 107.9 51.4 -61.4 -39.5 23.3 -0.2 37.4 52 53 A E H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.884 108.8 50.0 -64.6 -38.5 22.1 2.7 35.2 53 54 A L H X S+ 0 0 12 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.866 105.0 57.9 -68.0 -34.6 24.1 5.2 37.2 54 55 A A H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.921 108.5 46.5 -59.2 -43.0 27.2 2.9 36.9 55 56 A E H X S+ 0 0 72 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.921 110.6 52.4 -65.8 -44.4 26.8 3.2 33.2 56 57 A E H X S+ 0 0 96 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.887 111.1 46.8 -57.3 -42.2 26.3 7.0 33.3 57 58 A K H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.893 110.8 51.2 -70.0 -40.3 29.5 7.5 35.4 58 59 A R H X S+ 0 0 94 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.918 110.5 50.4 -60.5 -40.9 31.5 5.2 33.1 59 60 A E H X S+ 0 0 64 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.878 107.5 53.3 -65.4 -39.3 30.3 7.3 30.2 60 61 A G H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.912 107.4 51.4 -57.7 -46.7 31.3 10.5 32.0 61 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 110.4 49.1 -56.3 -44.5 34.8 9.2 32.5 62 63 A E H X S+ 0 0 95 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.854 107.8 53.4 -67.2 -34.3 35.1 8.3 28.8 63 64 A R H X S+ 0 0 116 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.882 110.5 48.1 -65.8 -38.6 33.9 11.8 27.8 64 65 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.905 110.3 51.3 -66.1 -44.1 36.6 13.3 30.0 65 66 A L H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.897 109.4 50.4 -60.0 -41.8 39.2 11.0 28.4 66 67 A K H X S+ 0 0 140 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.931 111.6 47.7 -60.9 -45.2 38.1 12.0 24.9 67 68 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 6,-0.3 0.893 105.9 58.1 -64.9 -42.7 38.4 15.7 25.9 68 69 A Q H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.6 0.957 112.0 41.7 -49.3 -53.2 41.8 15.1 27.4 69 70 A N H ><5S+ 0 0 93 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.860 109.1 58.4 -64.6 -39.0 43.0 13.8 24.0 70 71 A Q H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.0 43.5 -57.7 -37.1 41.2 16.5 22.1 71 72 A R H 3<5S- 0 0 28 -4,-2.1 -66,-0.4 -3,-0.3 -1,-0.2 0.507 119.7-109.2 -87.0 -9.6 43.2 19.1 24.0 72 73 A G T <<5S+ 0 0 2 -3,-0.7 -3,-0.2 -4,-0.6 -68,-0.2 0.647 72.2 138.0 88.5 16.7 46.5 17.3 23.7 73 74 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.3 -0.363 53.0-116.7 -81.6 171.2 46.7 16.3 27.3 74 75 A R - 0 0 135 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.957 18.6-127.1-121.4 122.5 47.8 12.8 28.3 75 76 A A - 0 0 34 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.421 26.4-176.3 -63.3 130.9 45.6 10.3 30.1 76 77 A L - 0 0 113 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.995 9.3-155.4-130.0 126.5 47.1 8.8 33.2 77 78 A F - 0 0 126 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.781 7.2-167.4-104.2 145.1 45.3 6.2 35.1 78 79 A Q - 0 0 138 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.782 40.1 -71.5-118.9 168.9 45.6 5.3 38.8 79 80 A D - 0 0 132 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.232 46.9-126.4 -52.1 143.7 44.4 2.3 40.9 80 81 A L - 0 0 68 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.897 22.2-134.6 -97.5 114.6 40.6 2.3 41.4 81 82 A Q - 0 0 114 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.382 27.0-107.5 -64.5 140.1 39.9 2.1 45.1 82 83 A K - 0 0 138 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.282 48.5 -80.5 -66.0 154.9 37.2 -0.4 46.0 83 84 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.171 41.0-113.4 -56.1 156.5 33.8 1.0 47.1 84 85 A S S S+ 0 0 96 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.640 95.5 39.1 -69.5 -19.1 33.6 2.1 50.7 85 86 A Q - 0 0 80 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.955 53.2-160.2-132.7 152.0 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 0.694 92.4 34.9 -93.7 -29.9 30.6 -4.3 50.9 87 88 A E - 0 0 115 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.987 68.3-159.0-130.6 138.9 26.9 -4.2 52.0 88 89 A W - 0 0 3 -2,-0.4 9,-0.1 1,-0.3 2,-0.1 0.342 21.3-148.4-110.9 5.5 24.7 -1.2 51.5 89 90 A G - 0 0 29 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.384 55.6 -1.6 69.8-135.9 21.9 -1.6 54.0 90 91 A T S > S- 0 0 55 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.350 72.3-105.3 -85.9 168.9 18.4 -0.3 53.1 91 92 A T H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.918 126.6 53.7 -54.6 -42.6 17.3 1.6 50.0 92 93 A L H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 108.9 46.0 -57.7 -50.2 17.3 4.6 52.3 93 94 A D H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 115.1 48.5 -56.8 -45.7 20.9 4.0 53.3 94 95 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.892 110.1 49.4 -66.1 -42.2 21.9 3.4 49.7 95 96 A M H X S+ 0 0 1 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.866 110.0 52.5 -66.3 -36.5 20.2 6.6 48.4 96 97 A K H X S+ 0 0 91 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.906 110.5 47.3 -62.8 -43.3 21.9 8.6 51.1 97 98 A A H X S+ 0 0 29 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.884 110.3 53.9 -65.9 -38.0 25.3 7.2 50.1 98 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.900 108.4 48.0 -63.3 -41.8 24.5 8.0 46.5 99 100 A I H X S+ 0 0 31 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.900 110.6 51.6 -70.0 -35.6 23.7 11.6 47.2 100 101 A V H X S+ 0 0 102 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.936 111.2 49.0 -61.1 -47.0 26.9 11.9 49.2 101 102 A L H X S+ 0 0 28 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.897 111.9 47.9 -54.6 -47.8 28.8 10.5 46.2 102 103 A E H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.886 108.6 53.1 -68.2 -38.9 27.2 12.8 43.7 103 104 A K H X S+ 0 0 130 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.888 109.2 50.7 -61.7 -36.9 27.8 15.9 45.9 104 105 A S H X S+ 0 0 67 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.912 111.9 46.3 -68.2 -39.1 31.5 14.9 46.0 105 106 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 112.7 51.2 -63.5 -44.6 31.6 14.5 42.2 106 107 A N H X S+ 0 0 30 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.907 108.4 50.6 -59.3 -43.7 29.7 17.9 41.8 107 108 A Q H X S+ 0 0 98 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.889 109.1 52.1 -63.3 -39.1 32.2 19.6 44.1 108 109 A A H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.892 110.1 48.7 -61.8 -42.3 35.1 18.2 42.0 109 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 111.9 49.0 -62.1 -44.9 33.5 19.6 38.9 110 111 A L H X S+ 0 0 76 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.894 111.0 50.3 -62.3 -40.3 33.0 22.9 40.5 111 112 A D H X S+ 0 0 95 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.896 111.5 48.1 -63.7 -42.1 36.7 22.9 41.6 112 113 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.878 110.2 52.1 -66.9 -38.1 37.8 22.1 38.1 113 114 A H H X S+ 0 0 42 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