==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON STORAGE 05-JUN-98 1BG7 . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR H.TAKAGI,D.SHI,Y.HA,N.M.ALLEWELL,E.C.THEIL . 153 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 72.5 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 1 A D 0 0 184 0, 0.0 72,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.0 24.1 -19.0 55.1 2 2 A S > - 0 0 25 71,-0.4 3,-0.9 1,-0.1 72,-0.0 -0.154 360.0-137.1 -59.0 136.3 22.0 -18.1 52.0 3 3 A Q T 3 S+ 0 0 195 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.674 104.9 47.2 -67.0 -19.9 18.6 -19.7 51.4 4 4 A V T 3 S+ 0 0 82 69,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.524 85.3 114.0 -98.1 -4.2 19.2 -20.3 47.6 5 5 A R < + 0 0 54 -3,-0.9 2,-0.3 68,-0.2 68,-0.1 -0.531 33.8 156.7 -75.2 118.5 22.7 -21.8 48.2 6 6 A Q - 0 0 162 -2,-0.4 3,-0.1 66,-0.4 -3,-0.0 -0.953 67.5 -13.4-148.0 119.3 22.8 -25.5 47.3 7 7 A N S S+ 0 0 160 -2,-0.3 2,-0.4 1,-0.1 -2,-0.0 0.847 88.6 133.9 53.8 48.6 26.1 -27.4 46.4 8 8 A F - 0 0 18 64,-0.1 -1,-0.1 65,-0.0 5,-0.1 -0.886 48.4-139.4-129.2 98.2 28.3 -24.3 45.9 9 9 A H >> - 0 0 119 -2,-0.4 4,-1.9 1,-0.1 3,-0.9 -0.209 17.5-123.1 -62.2 143.1 31.7 -24.6 47.6 10 10 A R H 3> S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.749 114.5 59.6 -53.8 -24.6 33.3 -21.7 49.4 11 11 A D H 3> S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.850 103.1 47.7 -72.8 -40.0 36.3 -22.2 47.0 12 12 A C H <> S+ 0 0 61 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.880 111.2 53.3 -68.5 -37.7 34.1 -21.6 43.9 13 13 A E H X S+ 0 0 33 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.908 111.3 44.4 -63.5 -44.6 32.8 -18.5 45.6 14 14 A A H X S+ 0 0 43 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.851 112.4 52.5 -70.4 -31.9 36.2 -17.1 46.3 15 15 A A H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.887 105.8 53.3 -70.4 -38.3 37.4 -18.0 42.8 16 16 A I H X S+ 0 0 20 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 107.1 52.9 -63.4 -40.8 34.5 -16.2 41.1 17 17 A N H X S+ 0 0 24 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.918 109.2 48.9 -61.4 -39.8 35.5 -13.1 43.1 18 18 A R H X S+ 0 0 156 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.891 110.7 51.4 -64.6 -39.9 39.1 -13.3 41.8 19 19 A M H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.834 105.9 54.7 -65.1 -32.7 37.8 -13.7 38.3 20 20 A V H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.940 111.0 44.8 -66.2 -45.5 35.6 -10.6 38.7 21 21 A N H X S+ 0 0 40 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.902 112.0 52.7 -66.1 -41.2 38.6 -8.5 39.7 22 22 A M H X S+ 0 0 49 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.885 110.0 48.2 -58.3 -43.7 40.7 -10.0 36.8 23 23 A E H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.881 111.8 48.9 -67.3 -37.3 38.0 -9.1 34.2 24 24 A L H X S+ 0 0 47 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 111.1 51.7 -67.4 -38.5 37.7 -5.5 35.6 25 25 A Y H X S+ 0 0 56 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.931 110.1 48.1 -60.4 -46.5 41.5 -5.3 35.4 26 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.929 110.3 52.5 -61.8 -41.4 41.5 -6.5 31.8 27 27 A S H X S+ 0 0 14 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.904 109.5 48.8 -58.9 -42.2 38.7 -4.0 31.0 28 28 A Y H X S+ 0 0 105 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.863 109.6 51.1 -67.6 -39.0 40.9 -1.1 32.5 29 29 A T H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 111.7 47.5 -64.7 -43.8 44.0 -2.1 30.5 30 30 A Y H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.892 109.5 53.6 -66.5 -37.4 42.0 -2.2 27.3 31 31 A L H X S+ 0 0 61 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.925 108.8 49.7 -59.1 -45.1 40.5 1.2 28.1 32 32 A S H X S+ 0 0 33 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.924 112.5 46.9 -58.2 -46.7 44.0 2.5 28.6 33 33 A M H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 3,-0.3 0.921 108.3 56.8 -61.3 -45.0 45.0 1.0 25.2 34 34 A A H X S+ 0 0 3 -4,-3.0 4,-0.9 1,-0.2 3,-0.2 0.951 111.0 41.5 -52.9 -52.1 41.9 2.5 23.5 35 35 A F H < S+ 0 0 108 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.732 107.6 62.5 -75.9 -16.4 42.7 6.1 24.6 36 36 A Y H >< S+ 0 0 18 -4,-1.4 3,-1.3 -3,-0.3 7,-0.3 0.935 105.0 45.8 -67.5 -45.8 46.4 5.7 23.8 37 37 A F H 3< S+ 0 0 0 -4,-1.9 7,-2.4 1,-0.3 11,-0.2 0.686 105.8 62.0 -73.8 -14.0 45.7 5.1 20.1 38 38 A D T 3< S+ 0 0 76 -4,-0.9 -1,-0.3 5,-0.2 -2,-0.2 0.543 78.6 115.8 -82.7 -9.8 43.3 8.1 20.1 39 39 A R S X> S- 0 0 77 -3,-1.3 4,-2.7 -4,-0.3 3,-1.8 -0.321 76.2-127.8 -58.2 142.9 46.2 10.5 21.0 40 40 A D T 34 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.795 114.4 61.4 -57.3 -27.8 47.0 13.1 18.3 41 41 A D T 34 S+ 0 0 100 -5,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.577 121.5 16.3 -58.6 -38.6 50.4 11.6 18.8 42 42 A I T <4 S+ 0 0 44 -3,-1.8 -2,-0.2 -6,-0.2 -5,-0.1 0.706 78.6 178.8-118.9 -57.6 49.4 8.1 17.7 43 43 A A < + 0 0 48 -4,-2.7 2,-0.4 -7,-0.3 -5,-0.2 0.896 23.1 142.6 50.9 59.3 46.0 8.5 15.9 44 44 A L > + 0 0 15 -7,-2.4 4,-2.2 1,-0.1 3,-0.2 -0.792 24.4 179.6-124.1 84.1 45.0 5.0 14.7 45 45 A H H > S+ 0 0 103 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.729 73.6 51.4 -67.8 -24.4 41.3 5.4 15.4 46 46 A N H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 110.6 49.7 -80.9 -32.0 40.1 1.9 14.2 47 47 A V H > S+ 0 0 0 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.935 113.1 49.1 -62.8 -44.1 42.8 0.3 16.5 48 48 A A H X S+ 0 0 9 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.897 109.0 51.8 -59.9 -41.4 41.4 2.6 19.3 49 49 A K H X S+ 0 0 152 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.886 107.6 52.8 -66.6 -37.2 37.8 1.6 18.5 50 50 A F H X S+ 0 0 26 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.917 109.8 47.1 -61.5 -46.5 38.7 -2.1 18.7 51 51 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.846 108.1 57.7 -67.8 -31.3 40.3 -1.8 22.2 52 52 A K H X S+ 0 0 94 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.907 110.3 40.7 -68.0 -40.2 37.3 0.3 23.5 53 53 A E H X S+ 0 0 66 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.822 112.2 56.5 -81.4 -22.0 34.7 -2.4 22.7 54 54 A Q H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.895 106.6 51.5 -63.8 -36.9 37.2 -5.1 24.0 55 55 A S H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.917 111.5 46.5 -63.2 -43.4 37.2 -3.0 27.2 56 56 A H H X S+ 0 0 85 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.900 108.7 55.1 -68.2 -38.5 33.4 -3.1 27.1 57 57 A E H X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 109.7 46.4 -60.2 -48.5 33.4 -6.9 26.5 58 58 A E H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.889 110.4 52.3 -65.9 -36.4 35.5 -7.6 29.5 59 59 A R H X S+ 0 0 89 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.894 108.4 52.9 -64.5 -36.1 33.4 -5.3 31.8 60 60 A E H X S+ 0 0 96 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 106.5 51.6 -64.4 -41.9 30.4 -7.3 30.5 61 61 A H H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.936 108.6 52.0 -58.2 -46.9 32.0 -10.7 31.5 62 62 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.894 110.2 48.1 -56.4 -42.3 32.7 -9.3 35.0 63 63 A E H X S+ 0 0 91 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.882 109.7 52.8 -67.7 -35.7 29.0 -8.3 35.4 64 64 A K H X S+ 0 0 52 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.907 108.9 49.3 -66.8 -39.8 27.9 -11.7 34.2 65 65 A L H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.890 110.1 51.4 -64.2 -38.5 30.1 -13.4 36.9 66 66 A M H X S+ 0 0 48 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.905 109.7 49.8 -64.7 -39.3 28.7 -11.1 39.5 67 67 A K H X S+ 0 0 143 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 111.8 48.9 -58.5 -47.6 25.2 -12.1 38.3 68 68 A D H X S+ 0 0 66 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.881 106.8 56.1 -63.3 -39.9 26.2 -15.8 38.6 69 69 A Q H X>S+ 0 0 1 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.939 111.5 41.9 -59.0 -52.5 27.6 -15.3 42.1 70 70 A N H ><5S+ 0 0 87 -4,-2.1 3,-0.9 3,-0.2 -1,-0.2 0.883 110.5 58.2 -60.5 -40.0 24.2 -13.9 43.4 71 71 A K H 3<5S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.917 110.2 43.3 -54.8 -45.2 22.3 -16.6 41.5 72 72 A R H 3<5S- 0 0 102 -4,-2.1 -66,-0.4 -5,-0.1 -1,-0.3 0.511 121.0-107.4 -81.8 -6.0 24.2 -19.3 43.3 73 73 A G T <<5S+ 0 0 1 -3,-0.9 -71,-0.4 -4,-0.6 -3,-0.2 0.628 73.4 137.1 89.9 11.5 23.9 -17.6 46.7 74 74 A G < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.303 53.0-118.8 -79.2 170.5 27.6 -16.5 46.9 75 75 A R - 0 0 129 -2,-0.1 2,-0.3 2,-0.0 -58,-0.1 -0.967 19.4-127.9-123.2 126.2 28.5 -13.0 48.1 76 76 A I - 0 0 51 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.526 23.1-173.4 -69.9 125.2 30.4 -10.6 45.9 77 77 A V - 0 0 82 -2,-0.3 2,-0.2 -63,-0.1 -2,-0.0 -0.971 11.3-155.0-124.1 116.3 33.6 -9.1 47.5 78 78 A L - 0 0 104 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.565 7.8-166.3 -89.2 151.8 35.2 -6.4 45.4 79 79 A Q - 0 0 131 -2,-0.2 -2,-0.0 -62,-0.1 -1,-0.0 -0.804 38.8 -73.6-126.6 169.8 38.9 -5.4 45.5 80 80 A D - 0 0 127 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.294 44.7-127.1 -59.7 148.7 40.8 -2.4 44.1 81 81 A V - 0 0 55 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.912 29.7-129.7-102.5 113.8 41.2 -2.4 40.3 82 82 A Q - 0 0 117 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.328 20.8-105.4 -65.0 139.4 44.9 -2.0 39.7 83 83 A K - 0 0 123 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.290 51.1 -88.7 -54.0 143.2 46.1 0.6 37.3 84 84 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.146 35.8-109.4 -56.7 154.9 47.4 -0.9 34.0 85 85 A E S S+ 0 0 162 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.819 96.6 24.7 -53.3 -39.5 51.0 -2.0 33.6 86 86 A R - 0 0 92 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.866 53.4-153.3-129.7 157.2 52.0 0.8 31.2 87 87 A D S S+ 0 0 116 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.624 93.5 44.3 -98.8 -21.7 50.8 4.3 30.4 88 88 A E - 0 0 99 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.964 65.6-164.3-119.4 138.3 52.2 4.1 26.8 89 89 A W - 0 0 7 -2,-0.4 2,-0.5 1,-0.3 9,-0.2 0.338 26.5-139.7-114.5 14.1 51.6 1.0 24.7 90 90 A G - 0 0 25 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 -0.561 56.2 -18.1 76.0-120.3 54.2 1.5 21.9 91 91 A N S > S- 0 0 21 -2,-0.5 4,-2.5 1,-0.0 5,-0.2 -0.587 75.9 -87.6-114.1-176.3 52.9 0.5 18.5 92 92 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 126.2 49.7 -60.5 -40.8 50.0 -1.7 17.2 93 93 A L H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.929 111.6 47.9 -61.2 -47.1 52.2 -4.8 17.3 94 94 A E H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 113.4 48.2 -60.0 -43.1 53.3 -4.2 20.9 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.884 111.7 49.0 -66.5 -38.9 49.8 -3.5 21.9 96 96 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.880 110.0 51.2 -71.2 -36.6 48.5 -6.6 20.3 97 97 A Q H X S+ 0 0 72 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.905 110.6 49.4 -65.1 -39.0 51.2 -8.8 21.9 98 98 A A H X S+ 0 0 22 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.881 110.5 50.4 -64.9 -37.3 50.2 -7.3 25.3 99 99 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.886 107.3 54.3 -66.4 -39.1 46.5 -8.0 24.6 100 100 A L H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 109.4 47.4 -63.0 -43.3 47.3 -11.7 23.7 101 101 A Q H X S+ 0 0 132 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.902 111.9 51.0 -62.7 -39.5 49.1 -12.2 27.0 102 102 A L H X S+ 0 0 21 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.907 110.3 47.3 -64.5 -45.6 46.2 -10.6 28.8 103 103 A E H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.871 112.0 51.6 -66.2 -33.3 43.6 -12.8 27.2 104 104 A K H X S+ 0 0 117 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.892 109.2 50.3 -68.8 -36.7 45.9 -15.9 27.9 105 105 A T H X S+ 0 0 84 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.914 112.9 45.7 -66.3 -41.3 46.1 -14.9 31.6 106 106 A V H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.911 114.1 48.7 -62.5 -44.6 42.3 -14.5 31.8 107 107 A N H X S+ 0 0 29 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.877 108.4 54.4 -66.7 -35.7 41.8 -17.8 30.0 108 108 A Q H X S+ 0 0 109 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 0.917 107.7 50.1 -62.9 -43.0 44.3 -19.5 32.4 109 109 A A H X S+ 0 0 19 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.907 108.0 53.2 -62.2 -42.5 42.3 -18.3 35.3 110 110 A L H < S+ 0 0 48 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.733 106.8 52.5 -62.8 -27.4 39.1 -19.7 33.8 111 111 A L H < S+ 0 0 105 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.965 109.3 48.7 -70.2 -50.8 40.8 -23.1 33.4 112 112 A D H < 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.751 360.0 360.0 -60.9 -23.7 41.7 -23.1 37.1 113 113 A L < 0 0 94 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.952 360.0 360.0 -77.9 360.0 38.1 -22.1 37.9 114 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 134 A P > 0 0 121 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -47.3 35.5 -20.6 26.8 116 135 A E T 4 + 0 0 83 1,-0.3 4,-0.1 2,-0.2 0, 0.0 0.675 360.0 44.8 -60.9 -17.0 34.2 -21.0 23.1 117 136 A E T > S+ 0 0 69 2,-0.1 4,-1.9 3,-0.1 -1,-0.3 0.662 106.0 56.2 -96.5 -33.6 34.6 -17.3 23.2 118 137 A Q H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.907 109.3 47.4 -67.7 -39.3 38.0 -17.0 24.9 119 138 A V H X S+ 0 0 86 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.715 110.2 53.5 -71.7 -24.4 39.6 -19.2 22.3 120 139 A K H > S+ 0 0 136 -5,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.942 109.5 47.9 -74.3 -44.6 38.0 -17.2 19.5 121 140 A S H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.897 113.1 47.8 -60.9 -44.3 39.4 -14.0 21.0 122 141 A I H X S+ 0 0 30 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 110.6 50.1 -68.9 -44.0 42.9 -15.5 21.3 123 142 A K H X S+ 0 0 126 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.900 110.2 53.8 -58.3 -40.2 42.9 -16.9 17.7 124 143 A Q H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 109.0 46.1 -60.8 -46.4 41.8 -13.4 16.5 125 144 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.879 111.7 52.3 -65.1 -35.2 44.7 -11.7 18.3 126 145 A G H X S+ 0 0 25 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.927 109.0 50.5 -64.8 -43.7 47.2 -14.3 16.9 127 146 A D H X S+ 0 0 65 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.946 111.0 49.4 -57.0 -46.5 45.8 -13.6 13.4 128 147 A Y H X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 110.0 49.4 -60.5 -44.1 46.4 -9.9 14.0 129 148 A I H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 109.0 52.9 -64.3 -41.1 49.9 -10.3 15.2 130 149 A T H X S+ 0 0 75 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 111.7 46.2 -59.1 -43.6 50.8 -12.5 12.2 131 150 A N H X S+ 0 0 57 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.846 109.6 53.0 -70.7 -33.6 49.5 -9.8 9.8 132 151 A L H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-0.3 0.912 110.8 47.8 -67.6 -38.2 51.3 -7.0 11.6 133 152 A K H ><5S+ 0 0 121 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.931 110.3 52.4 -67.5 -39.8 54.6 -8.9 11.3 134 153 A R H 3<5S+ 0 0 176 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.879 106.3 54.1 -58.1 -38.8 53.8 -9.6 7.6 135 154 A L T 3<5S- 0 0 52 -4,-1.9 8,-0.3 -5,-0.1 -1,-0.3 0.485 123.2-106.2 -78.7 -2.7 53.3 -5.8 7.1 136 155 A G T <>5 - 0 0 25 -3,-1.4 4,-2.1 -4,-0.3 3,-0.3 0.661 51.5-163.6 91.2 19.3 56.7 -5.1 8.6 137 156 A L T 4< + 0 0 11 -5,-2.1 -1,-0.2 1,-0.3 4,-0.0 -0.455 63.8 36.0 -64.5 145.9 56.0 -3.7 12.1 138 157 A P T 4 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -46,-0.1 -0.945 131.2 29.1 -80.8 -26.8 57.6 -2.2 14.1 139 158 A Q T 4 S+ 0 0 168 -3,-0.3 2,-1.3 1,-0.1 -2,-0.2 0.734 100.0 80.9 -67.6 -35.8 59.5 -0.2 11.4 140 159 A N X + 0 0 75 -4,-2.1 4,-1.7 1,-0.2 3,-0.2 -0.632 47.9 176.0 -87.3 95.6 57.0 -0.0 8.6 141 160 A G H > S+ 0 0 47 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.792 81.0 58.6 -64.9 -30.5 54.6 2.8 9.4 142 161 A M H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 105.0 51.6 -67.0 -36.9 52.8 2.4 6.1 143 162 A G H > S+ 0 0 2 -8,-0.3 4,-2.5 -3,-0.2 -2,-0.2 0.924 109.1 49.9 -63.0 -42.5 52.0 -1.2 7.1 144 163 A E H X S+ 0 0 34 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.901 110.8 48.9 -65.2 -40.3 50.6 0.0 10.4 145 164 A Y H X S+ 0 0 138 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.907 112.1 49.4 -62.1 -46.9 48.4 2.6 8.7 146 165 A L H X S+ 0 0 71 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.872 107.3 54.5 -64.2 -36.7 47.2 -0.0 6.2 147 166 A F H X>S+ 0 0 1 -4,-2.5 5,-2.0 1,-0.2 4,-1.9 0.913 106.9 51.1 -62.4 -41.9 46.4 -2.5 9.0 148 167 A D H <5S+ 0 0 7 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.893 117.9 39.3 -64.7 -35.9 44.2 0.1 10.8 149 168 A K H <5S+ 0 0 100 -4,-1.6 -2,-0.2 3,-0.2 4,-0.2 0.938 125.1 31.3 -77.9 -47.1 42.3 0.8 7.5 150 169 A H H <5S+ 0 0 139 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.760 131.4 24.0 -89.3 -30.5 41.9 -2.7 6.0 151 170 A T T ><5S+ 0 0 51 -4,-1.9 3,-1.0 -5,-0.4 -3,-0.2 0.824 129.6 37.8-101.2 -47.4 41.7 -5.1 9.0 152 171 A M T 3