==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-OCT-09 3KA8 . COMPND 2 MOLECULE: FERRITIN, MIDDLE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR T.TOSHA,H.L.NG,E.THEIL,T.ALBER,O.BHATTASALI . 172 1 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) . 134 77.9 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 . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 2 0 0 0 0 0 0 0 0 0 1 0 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 1 A V 0 0 169 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 171.3 23.8 54.3 19.4 2 2 A S > - 0 0 26 71,-0.4 3,-1.1 1,-0.1 72,-0.0 -0.327 360.0-122.8 -62.3 143.7 21.6 51.7 17.9 3 3 A Q T 3 S+ 0 0 195 1,-0.2 -1,-0.1 -2,-0.0 70,-0.0 0.688 111.2 49.7 -60.2 -24.6 18.2 51.2 19.6 4 4 A V T 3 S+ 0 0 80 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.638 82.0 115.0 -86.3 -19.1 19.0 47.5 20.2 5 5 A R < + 0 0 55 -3,-1.1 2,-0.3 68,-0.2 68,-0.1 -0.314 32.5 156.8 -68.4 132.4 22.5 47.9 21.7 6 6 A Q - 0 0 160 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.913 67.5 -9.3-157.2 124.2 22.8 46.8 25.3 7 7 A N S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.796 90.7 134.5 59.4 35.6 25.9 45.8 27.1 8 8 A Y - 0 0 10 64,-0.1 -1,-0.2 114,-0.0 2,-0.1 -0.916 45.5-147.3-121.5 102.3 28.0 45.8 23.9 9 9 A H >> - 0 0 75 -2,-0.6 4,-2.2 1,-0.1 3,-0.7 -0.420 17.8-126.9 -72.6 143.4 31.4 47.5 24.2 10 10 A S H 3> S+ 0 0 76 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.846 111.3 57.1 -53.9 -36.0 32.9 49.3 21.3 11 11 A D H 3> S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.888 107.0 47.7 -65.6 -37.6 36.1 47.3 21.7 12 12 A C H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.902 109.6 53.1 -70.0 -42.9 34.1 44.0 21.4 13 13 A E H X S+ 0 0 30 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.928 112.3 45.2 -53.4 -49.2 32.3 45.4 18.2 14 14 A A H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 111.5 51.8 -64.9 -43.2 35.7 46.2 16.6 15 15 A A H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.841 106.5 54.4 -64.7 -33.7 37.2 42.9 17.6 16 16 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.911 107.9 50.6 -64.1 -42.0 34.2 41.0 16.0 17 17 A N H X S+ 0 0 21 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.919 111.5 47.4 -61.6 -42.8 34.9 42.9 12.8 18 18 A R H X S+ 0 0 158 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.906 111.5 50.3 -66.1 -36.4 38.6 41.9 13.0 19 19 A M H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.904 106.4 55.5 -68.1 -42.3 37.6 38.3 13.7 20 20 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.908 107.0 51.0 -50.6 -47.1 35.2 38.3 10.7 21 21 A N H X S+ 0 0 40 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.912 108.9 50.7 -62.0 -41.1 38.1 39.3 8.5 22 22 A L H X S+ 0 0 36 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.904 107.8 52.5 -65.8 -39.6 40.3 36.5 9.8 23 23 A E H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.921 110.9 47.6 -58.8 -43.5 37.5 34.0 9.1 24 24 A L H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.892 110.8 51.8 -62.2 -44.0 37.4 35.3 5.6 25 25 A Y H X S+ 0 0 56 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 109.3 49.6 -57.3 -45.7 41.2 35.1 5.3 26 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 109.4 52.5 -61.0 -45.6 41.1 31.4 6.5 27 27 A S H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.905 110.0 48.7 -53.8 -44.5 38.4 30.6 3.9 28 28 A Y H X S+ 0 0 117 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.895 108.2 53.1 -69.2 -40.6 40.5 32.1 1.2 29 29 A T H X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 108.7 50.2 -57.9 -46.5 43.7 30.2 2.2 30 30 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.868 106.2 55.9 -63.9 -36.4 41.7 26.9 2.1 31 31 A S H X S+ 0 0 41 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.899 106.3 51.3 -58.9 -41.0 40.5 27.8 -1.4 32 32 A S H X S+ 0 0 26 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.875 109.1 50.3 -60.4 -43.9 44.1 28.2 -2.5 33 33 A M H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.923 108.9 51.9 -60.6 -45.1 44.9 24.8 -1.0 34 34 A Y H X S+ 0 0 51 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.952 110.5 48.2 -51.7 -51.5 41.9 23.3 -2.9 35 35 A A H < S+ 0 0 52 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.893 110.2 52.4 -61.4 -39.6 43.1 24.8 -6.2 36 36 A F H >< S+ 0 0 13 -4,-2.0 3,-1.5 1,-0.2 7,-0.3 0.944 109.9 46.5 -62.2 -48.8 46.7 23.5 -5.6 37 37 A F H 3< S+ 0 0 0 -4,-2.3 7,-2.4 1,-0.3 11,-0.2 0.696 108.3 58.0 -71.4 -14.8 45.6 19.9 -5.0 38 38 A D T 3< S+ 0 0 70 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.446 81.0 115.9 -87.0 -7.4 43.3 20.0 -8.1 39 39 A R S X> S- 0 0 82 -3,-1.5 4,-2.2 -4,-0.4 3,-2.0 -0.367 76.6-123.5 -60.2 147.0 46.3 20.9 -10.3 40 40 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -4,-0.0 0.752 113.3 51.6 -65.0 -20.2 47.1 18.3 -12.9 41 41 A D T 34 S+ 0 0 97 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.227 121.0 33.1 -98.7 10.6 50.6 18.0 -11.6 42 42 A V T <4 S+ 0 0 36 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.569 77.7 171.9-121.7 -67.2 49.4 17.5 -8.0 43 43 A A < + 0 0 48 -4,-2.2 2,-0.5 -7,-0.3 -5,-0.2 0.903 18.9 141.5 60.3 57.7 46.1 15.6 -8.5 44 44 A L > + 0 0 16 -7,-2.4 4,-2.6 1,-0.1 -1,-0.2 -0.817 22.2 176.4-123.9 80.4 45.0 14.6 -5.0 45 45 A H H > S+ 0 0 99 -2,-0.5 4,-2.4 1,-0.2 5,-0.1 0.828 73.3 51.2 -66.2 -36.3 41.3 15.1 -5.4 46 46 A N H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 112.9 48.3 -67.3 -38.6 40.1 13.9 -2.0 47 47 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.936 110.8 51.6 -60.5 -47.4 42.7 16.2 -0.3 48 48 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -11,-0.2 -2,-0.2 0.919 109.3 49.8 -57.2 -44.4 41.5 19.1 -2.6 49 49 A E H X S+ 0 0 86 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.874 105.2 56.9 -71.1 -29.6 37.9 18.5 -1.6 50 50 A F H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.930 110.7 44.5 -57.6 -49.5 38.7 18.4 2.1 51 51 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.899 111.1 53.5 -66.8 -38.0 40.2 21.9 1.7 52 52 A K H X S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 108.2 50.6 -60.5 -44.5 37.3 23.1 -0.4 53 53 A E H X S+ 0 0 110 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.938 110.5 49.5 -59.2 -42.9 34.9 21.9 2.3 54 54 A H H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.887 106.6 55.7 -65.8 -35.6 36.9 23.9 4.9 55 55 A S H X S+ 0 0 7 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.944 109.5 46.5 -58.3 -43.4 36.9 27.0 2.8 56 56 A H H X S+ 0 0 110 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 110.7 52.5 -65.9 -42.2 33.1 26.8 2.7 57 57 A E H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.932 108.9 50.0 -59.9 -46.1 32.9 26.3 6.5 58 58 A E H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.863 107.7 53.0 -63.2 -38.4 35.1 29.3 7.2 59 59 A R H X S+ 0 0 103 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.892 108.6 50.9 -64.0 -40.1 33.0 31.5 4.9 60 60 A E H X S+ 0 0 106 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 106.7 54.8 -60.0 -40.3 29.9 30.3 7.0 61 61 A H H X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.902 107.9 49.5 -60.0 -39.9 31.8 31.3 10.2 62 62 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.921 108.7 51.9 -63.7 -46.3 32.3 34.8 8.7 63 63 A E H X S+ 0 0 70 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.886 106.0 55.3 -57.6 -38.6 28.5 35.1 7.9 64 64 A K H X S+ 0 0 69 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.863 106.0 51.0 -67.4 -36.6 27.6 34.1 11.4 65 65 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.869 107.6 53.4 -65.9 -36.0 29.8 36.9 12.8 66 66 A M H X S+ 0 0 46 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.954 111.6 45.5 -60.1 -46.7 28.0 39.4 10.4 67 67 A K H X S+ 0 0 138 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 112.5 51.6 -62.6 -42.9 24.7 38.3 11.7 68 68 A Y H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 6,-0.2 0.929 106.9 53.4 -58.3 -50.6 25.9 38.5 15.3 69 69 A Q H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.6 0.925 111.7 44.5 -51.6 -51.4 27.2 42.0 14.9 70 70 A N H ><5S+ 0 0 91 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.891 108.4 57.6 -63.4 -37.3 23.9 43.2 13.6 71 71 A K H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 109.4 45.3 -62.1 -35.0 22.0 41.4 16.4 72 72 A R H 3<5S- 0 0 24 -4,-2.0 -66,-0.4 -3,-0.2 -1,-0.2 0.535 120.1-108.0 -84.0 -9.5 23.9 43.2 19.0 73 73 A G T <<5S+ 0 0 2 -3,-0.9 -71,-0.4 -4,-0.6 -3,-0.2 0.585 75.9 132.6 90.2 9.6 23.5 46.6 17.3 74 74 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.355 56.3-114.6 -77.7 177.0 27.1 46.9 16.1 75 75 A R - 0 0 129 -2,-0.1 2,-0.3 -3,-0.1 -58,-0.1 -0.967 18.6-125.2-125.0 123.7 28.1 47.8 12.6 76 76 A V - 0 0 49 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.506 28.0-174.4 -63.2 123.6 29.8 45.5 10.2 77 77 A V - 0 0 77 -2,-0.3 2,-0.3 -63,-0.1 -2,-0.0 -0.990 10.1-153.6-125.7 119.3 33.0 47.1 8.8 78 78 A L - 0 0 104 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.665 10.8-172.3 -94.3 147.7 34.8 45.2 6.1 79 79 A Q - 0 0 137 -2,-0.3 -2,-0.0 -62,-0.2 3,-0.0 -0.873 42.4 -70.6-124.1 170.3 38.4 45.2 5.2 80 80 A D - 0 0 129 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.202 43.9-126.4 -55.7 146.3 40.4 43.7 2.3 81 81 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.881 31.1-133.5 -95.1 109.9 40.7 39.9 2.4 82 82 A K - 0 0 139 -2,-0.7 -54,-0.1 1,-0.1 3,-0.1 -0.373 19.0-109.9 -66.5 141.1 44.4 39.3 2.1 83 83 A K - 0 0 135 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.259 48.3 -82.4 -63.5 156.0 45.6 36.7 -0.3 84 84 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.193 36.5-111.5 -60.1 161.8 47.1 33.5 1.2 85 85 A E S S+ 0 0 138 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.724 98.3 33.8 -61.7 -32.4 50.7 33.4 2.4 86 86 A R - 0 0 81 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.945 57.1-153.8-130.8 152.8 51.7 31.0 -0.4 87 87 A D S S+ 0 0 130 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.599 91.3 32.5 -93.2 -22.6 50.8 30.4 -4.0 88 88 A E - 0 0 111 1,-0.0 -1,-0.2 -52,-0.0 -55,-0.1 -0.970 66.6-153.3-137.9 149.4 51.8 26.7 -3.9 89 89 A W - 0 0 2 -2,-0.3 2,-2.0 -57,-0.1 6,-0.2 0.249 24.3-135.7-120.5 12.4 51.6 24.3 -1.0 90 90 A G - 0 0 41 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.446 62.8 -33.3 78.6 -77.2 54.3 21.7 -1.6 91 91 A N S > S- 0 0 22 -2,-2.0 4,-2.4 -3,-0.1 5,-0.2 -0.928 75.8 -72.8-168.0 179.2 52.5 18.4 -0.7 92 92 A T H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.855 126.8 49.8 -60.7 -40.3 49.8 17.0 1.6 93 93 A L H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.955 112.3 45.7 -63.9 -52.8 52.1 17.2 4.7 94 94 A E H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.896 114.6 49.2 -58.2 -41.0 53.2 20.8 4.1 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.914 111.1 48.0 -65.9 -44.5 49.6 21.8 3.4 96 96 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.878 110.3 53.2 -62.9 -39.2 48.2 20.1 6.5 97 97 A Q H X S+ 0 0 77 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.922 110.8 46.7 -59.8 -44.2 51.0 21.7 8.6 98 98 A A H X S+ 0 0 21 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.888 111.7 51.8 -63.9 -40.8 50.0 25.1 7.3 99 99 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.913 107.2 52.8 -62.8 -43.9 46.3 24.3 8.0 100 100 A L H X S+ 0 0 30 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.935 111.2 46.1 -56.6 -47.0 47.1 23.3 11.6 101 101 A Q H X S+ 0 0 108 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 111.8 51.3 -66.3 -38.1 48.8 26.6 12.1 102 102 A L H X S+ 0 0 17 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.923 110.0 49.3 -59.6 -45.9 46.0 28.5 10.5 103 103 A E H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.875 111.8 49.3 -62.9 -38.6 43.5 26.7 12.7 104 104 A K H X S+ 0 0 104 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.865 109.8 51.2 -66.7 -36.5 45.6 27.6 15.7 105 105 A T H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 112.2 46.7 -63.2 -47.5 45.8 31.2 14.6 106 106 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.935 112.8 50.2 -56.2 -51.4 42.0 31.3 14.3 107 107 A N H X S+ 0 0 27 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.905 108.2 52.2 -56.3 -46.1 41.6 29.7 17.7 108 108 A Q H X S+ 0 0 101 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.914 109.8 49.1 -60.7 -39.8 44.0 32.2 19.4 109 109 A A H X S+ 0 0 27 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 111.2 49.5 -68.1 -35.9 42.0 35.1 18.0 110 110 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.898 112.3 48.3 -65.8 -43.1 38.8 33.5 19.2 111 111 A L H X S+ 0 0 71 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.906 110.5 51.0 -64.8 -40.0 40.3 33.0 22.6 112 112 A D H X S+ 0 0 92 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.888 109.8 50.2 -64.6 -38.8 41.5 36.5 22.7 113 113 A L H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.891 108.9 52.2 -66.5 -38.5 38.0 37.7 21.8 114 114 A H H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.904 108.4 50.5 -63.4 -38.5 36.6 35.6 24.6 115 115 A K H X S+ 0 0 117 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.907 111.3 48.3 -64.4 -41.4 39.1 37.2 27.0 116 116 A L H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 111.1 50.3 -63.4 -45.7 38.0 40.7 25.9 117 117 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.3 0.884 111.7 49.4 -57.7 -42.0 34.3 39.7 26.2 118 118 A T H ><5S+ 0 0 64 -4,-2.4 3,-1.4 3,-0.2 -1,-0.2 0.936 110.0 50.2 -60.8 -50.4 35.1 38.4 29.8 119 119 A D H 3<5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.873 113.3 46.2 -60.2 -33.6 36.9 41.7 30.6 120 120 A K T 3<5S- 0 0 76 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.395 113.7-118.4 -89.3 1.4 34.0 43.7 29.4 121 121 A V T < 5 + 0 0 105 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.955 59.8 151.5 59.8 55.6 31.5 41.5 31.2 122 122 A D >< + 0 0 3 -5,-2.6 4,-2.1 1,-0.1 -1,-0.2 -0.819 15.3 170.8-117.8 83.0 29.7 40.3 28.0 123 123 A P H > S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.805 76.3 60.0 -69.3 -29.2 28.2 36.9 28.8 124 124 A H H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.939 108.4 43.6 -62.8 -43.3 26.2 36.8 25.5 125 125 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.908 113.2 52.7 -69.3 -40.8 29.4 37.2 23.4 126 126 A C H X S+ 0 0 14 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.952 110.7 47.3 -54.7 -51.6 31.2 34.6 25.6 127 127 A D H X S+ 0 0 86 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.886 109.3 53.7 -55.7 -45.8 28.3 32.1 25.1 128 128 A F H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 5,-0.4 0.932 111.9 44.8 -58.2 -47.4 28.3 32.7 21.4 129 129 A L H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-1.9 0.928 116.4 45.3 -59.1 -47.6 32.0 31.9 21.1 130 130 A E H <>S+ 0 0 105 -4,-2.7 5,-0.6 -5,-0.2 -2,-0.2 0.868 119.6 40.8 -66.6 -36.6 31.8 28.9 23.4 131 131 A S H <5S+ 0 0 69 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.755 128.7 23.8 -87.1 -25.4 28.7 27.5 21.7 132 132 A E H <5S+ 0 0 85 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.577 131.4 16.4-116.7 -19.5 29.5 28.2 18.0 133 133 A Y T X5S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.4 -3,-0.2 0.710 103.4 63.2-124.4 -46.4 33.3 28.5 17.6 134 134 A L H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 106.7 52.0 -64.0 -36.3 34.8 23.4 16.4 137 137 A Q H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.925 107.8 51.0 -64.3 -43.5 38.4 24.7 16.5 138 138 A V H X S+ 0 0 78 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.921 111.6 48.8 -58.0 -43.7 39.4 22.0 18.9 139 139 A K H X S+ 0 0 107 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.939 112.4 46.8 -61.6 -44.3 37.9 19.4 16.6 140 140 A H H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.916 112.0 49.8 -61.6 -46.0 39.6 20.8 13.6 141 141 A I H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.908 112.9 47.8 -60.8 -45.8 43.0 21.0 15.3 142 142 A K H X S+ 0 0 125 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.925 112.6 48.4 -59.9 -46.2 42.7 17.4 16.5 143 143 A R H X S+ 0 0 93 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 114.7 44.3 -62.3 -48.5 41.7 16.1 13.1 144 144 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.898 112.4 52.2 -68.4 -39.0 44.5 17.9 11.3 145 145 A G H X S+ 0 0 20 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.945 108.8 50.9 -58.8 -41.8 47.0 16.9 13.9 146 146 A D H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 109.8 50.9 -60.5 -44.0 45.9 13.3 13.5 147 147 A F H X S+ 0 0 15 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.931 108.2 52.1 -58.3 -46.7 46.4 13.6 9.7 148 148 A I H X S+ 0 0 14 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.907 107.9 51.3 -55.7 -50.0 49.9 15.0 10.2 149 149 A T H X S+ 0 0 76 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.923 112.4 46.4 -53.9 -43.2 50.8 12.1 12.3 150 150 A N H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.877 109.9 52.8 -68.6 -38.8 49.6 9.7 9.7 151 151 A L H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 -2,-0.2 0.898 110.6 48.2 -64.0 -37.9 51.3 11.6 6.9 152 152 A K H ><5S+ 0 0 128 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.937 111.0 50.4 -64.6 -46.4 54.6 11.4 8.8 153 153 A R H 3<5S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.1 57.0 -57.4 -36.9 54.0 7.6 9.4 154 154 A L T 3<5S- 0 0 46 -4,-1.9 8,-0.3 -5,-0.1 -1,-0.3 0.416 123.4-105.2 -77.5 -1.3 53.4 7.2 5.7 155 155 A G T X>5 - 0 0 25 -3,-1.7 4,-2.2 1,-0.2 3,-0.5 0.612 53.4-159.6 89.9 15.0 56.8 8.7 4.9 156 156 A L T 34< + 0 0 10 -5,-2.3 -1,-0.2 1,-0.3 4,-0.0 -0.434 62.2 25.6 -66.6 150.3 55.9 12.1 3.6 157 157 A P T 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.981 131.9 34.1 -82.4 -16.1 57.3 14.1 2.0 158 158 A E T <4 S+ 0 0 165 -3,-0.5 2,-1.3 1,-0.1 -2,-0.2 0.839 99.4 80.2 -72.0 -31.4 59.5 11.6 0.2 159 159 A N X + 0 0 76 -4,-2.2 4,-1.9 1,-0.2 -1,-0.1 -0.590 50.3 177.8 -89.4 98.5 57.1 8.7 -0.0 160 160 A G H > S+ 0 0 45 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.851 81.5 57.2 -63.9 -37.5 54.7 9.2 -2.9 161 161 A M H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 105.6 51.1 -61.2 -40.8 53.0 6.0 -2.4 162 162 A G H > S+ 0 0 2 -8,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.912 108.4 51.9 -62.2 -41.4 52.2 7.0 1.1 163 163 A E H X S+ 0 0 30 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.928 110.1 48.8 -61.1 -42.8 50.8 10.2 -0.1 164 164 A Y H X S+ 0 0 137 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.941 110.0 51.5 -59.1 -46.6 48.5 8.4 -2.5 165 165 A L H X S+ 0 0 65 -4,-2.5 4,-1.5 1,-0.2 5,-0.3 0.888 107.6 52.7 -61.6 -40.2 47.4 6.0 0.2 166 166 A F H X>S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.8 0.929 109.0 48.9 -61.1 -48.6 46.5 8.9 2.5 167 167 A D H <5S+ 0 0 5 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.869 116.2 44.6 -57.5 -36.5 44.3 10.5 -0.3 168 168 A K H <5S+ 0 0 111 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.639 127.8 22.7 -88.1 -13.5 42.6 7.2 -0.9 169 169 A H H <5S+ 0 0 141 -4,-1.5 -3,-0.2 -3,-0.4 -2,-0.2 0.553 121.5 42.8-130.5 -13.3 41.9 6.0 2.7 170 170 A S T <5S+ 0 0 37 -4,-2.8 2,-2.2 -5,-0.3 -3,-0.2 0.676 84.7 75.6-107.7 -17.5 41.9 9.1 5.0 171 171 A V < 0 0 17 -5,-0.8 -1,-0.1 -4,-0.3 -121,-0.1 -0.291 360.0 360.0-106.0 66.2 40.2 12.0 3.8 172 172 A K 0 0 108 -2,-2.2 -3,-0.0 -3,-0.1 -4,-0.0 -0.278 360.0 360.0 -74.6 360.0 36.8 10.9 4.4