==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUN-10 3AJO . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.MASUDA,B.MIKAMI . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 78.5 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 . 6 3.5 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 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 5 A T 0 0 171 0, 0.0 2,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 144.2 23.2 -19.2 54.8 2 6 A S > - 0 0 26 71,-0.4 3,-0.9 1,-0.1 72,-0.0 -0.339 360.0-131.8 -58.6 136.2 21.4 -18.0 51.6 3 7 A Q T 3 S+ 0 0 195 1,-0.2 -1,-0.1 -2,-0.1 70,-0.0 0.651 106.5 48.0 -64.0 -16.8 18.1 -19.7 51.0 4 8 A V T 3 S+ 0 0 78 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.632 82.2 116.8 -97.8 -15.0 19.0 -20.4 47.4 5 9 A R < + 0 0 60 -3,-0.9 2,-0.3 68,-0.2 68,-0.1 -0.303 31.7 155.9 -66.8 132.5 22.5 -21.8 48.0 6 10 A Q - 0 0 158 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.914 65.9 -10.4-159.2 124.7 23.0 -25.4 46.9 7 11 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.796 90.5 133.7 56.5 34.1 26.2 -27.3 45.9 8 12 A Y - 0 0 10 64,-0.1 -1,-0.2 117,-0.0 109,-0.0 -0.901 47.3-145.4-120.7 103.8 28.2 -24.1 45.8 9 13 A H > - 0 0 74 -2,-0.6 4,-2.3 1,-0.1 3,-0.4 -0.314 17.3-125.9 -73.3 147.4 31.5 -24.4 47.6 10 14 A Q H > S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.832 113.1 56.4 -58.8 -30.5 33.0 -21.4 49.5 11 15 A D H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 106.6 48.7 -68.1 -37.7 36.1 -21.8 47.4 12 16 A S H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.924 109.0 53.5 -67.3 -44.4 34.1 -21.5 44.2 13 17 A E H X S+ 0 0 30 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.923 111.5 45.5 -52.9 -48.4 32.4 -18.4 45.6 14 18 A A H X S+ 0 0 39 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.913 111.0 52.4 -64.3 -43.0 35.8 -16.8 46.3 15 19 A A H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.864 106.9 53.6 -62.9 -36.0 37.2 -17.8 42.9 16 20 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.912 107.1 51.4 -65.5 -42.0 34.2 -16.1 41.2 17 21 A N H X S+ 0 0 20 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.919 109.9 49.6 -58.5 -42.3 34.9 -12.9 43.1 18 22 A R H X S+ 0 0 161 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.900 110.0 51.1 -64.3 -37.4 38.5 -13.1 41.9 19 23 A Q H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.894 104.6 56.8 -68.3 -38.3 37.3 -13.6 38.3 20 24 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.936 108.0 48.3 -55.1 -45.9 35.0 -10.6 38.6 21 25 A N H X S+ 0 0 36 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.907 110.1 51.5 -61.3 -41.7 38.0 -8.4 39.4 22 26 A L H X S+ 0 0 39 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.886 108.8 50.3 -63.9 -40.3 40.0 -9.9 36.5 23 27 A E H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.908 111.7 48.2 -64.5 -41.3 37.2 -9.1 34.0 24 28 A L H X S+ 0 0 27 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.897 110.3 52.3 -65.6 -40.3 37.0 -5.6 35.3 25 29 A Y H X S+ 0 0 39 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.934 108.4 50.4 -58.3 -46.3 40.7 -5.3 35.0 26 30 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.898 107.4 54.3 -60.6 -39.0 40.6 -6.5 31.4 27 31 A S H X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.908 109.7 47.9 -58.6 -40.4 37.9 -3.9 30.7 28 32 A Y H X S+ 0 0 106 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.895 108.4 53.2 -70.9 -40.5 40.2 -1.2 32.1 29 33 A V H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.952 111.7 45.8 -57.4 -49.0 43.2 -2.4 30.0 30 34 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.854 109.6 54.7 -66.7 -34.2 41.2 -2.2 26.8 31 35 A L H X S+ 0 0 62 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.930 110.7 46.4 -60.7 -46.3 39.8 1.2 27.8 32 36 A S H X S+ 0 0 32 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.931 112.6 49.6 -61.1 -47.7 43.4 2.5 28.2 33 37 A M H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.2 0.918 107.3 56.6 -57.6 -43.9 44.5 1.0 24.9 34 38 A S H >< S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.942 108.4 44.3 -55.3 -51.2 41.5 2.5 23.1 35 39 A Y H >< S+ 0 0 124 -4,-1.9 3,-0.5 1,-0.3 4,-0.4 0.745 101.9 67.1 -74.5 -19.6 42.3 6.1 24.0 36 40 A Y H >< S+ 0 0 22 -4,-1.6 3,-1.4 1,-0.2 7,-0.3 0.925 101.9 49.0 -57.9 -42.1 46.0 5.6 23.2 37 41 A F T << S+ 0 0 0 -4,-1.4 7,-2.0 -3,-0.6 -1,-0.2 0.631 103.3 62.0 -77.0 -9.3 44.9 5.3 19.6 38 42 A D T < S+ 0 0 105 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.455 78.3 114.7 -89.0 -6.5 42.8 8.4 20.0 39 43 A R S X> S- 0 0 92 -3,-1.4 4,-2.3 -4,-0.4 3,-1.9 -0.381 76.8-124.4 -63.7 145.5 45.9 10.5 20.7 40 44 A D T 34 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.745 112.2 52.7 -64.1 -21.1 46.7 13.1 18.1 41 45 A D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.253 120.5 31.1 -99.2 11.1 50.2 11.6 17.7 42 46 A V T <4 S+ 0 0 32 -3,-1.9 -2,-0.2 -5,-0.1 -5,-0.1 0.549 78.5 173.6-125.5 -62.4 48.9 8.1 17.2 43 47 A A < + 0 0 66 -4,-2.3 2,-0.6 -7,-0.3 -5,-0.2 0.843 17.8 144.3 60.2 50.4 45.5 8.7 15.4 44 48 A L > - 0 0 15 -7,-2.0 4,-2.1 1,-0.1 3,-0.3 -0.845 24.1-175.8-117.1 92.1 44.3 5.2 14.4 45 49 A K H > S+ 0 0 115 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.763 78.2 51.3 -67.9 -27.4 40.5 5.6 14.9 46 50 A N H > S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.840 107.6 52.2 -82.7 -30.5 39.6 2.0 14.1 47 51 A F H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.933 111.7 49.4 -59.1 -45.9 42.2 0.6 16.6 48 52 A A H X S+ 0 0 11 -4,-2.1 4,-2.2 -11,-0.2 -2,-0.2 0.945 112.9 45.5 -60.1 -46.1 40.5 2.9 19.1 49 53 A K H X S+ 0 0 121 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.924 111.8 52.5 -63.0 -44.0 37.0 1.7 18.2 50 54 A Y H X S+ 0 0 29 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.934 112.8 43.1 -58.4 -49.5 38.1 -2.0 18.3 51 55 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.855 110.3 55.7 -70.3 -32.6 39.6 -1.7 21.7 52 56 A L H X S+ 0 0 42 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.922 108.5 49.2 -64.3 -39.9 36.7 0.3 23.1 53 57 A H H X S+ 0 0 104 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 109.9 50.9 -62.2 -43.5 34.3 -2.4 22.0 54 58 A Q H X S+ 0 0 15 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.887 107.7 54.4 -60.1 -39.0 36.5 -5.0 23.7 55 59 A S H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.934 108.4 47.7 -60.8 -46.5 36.4 -2.9 26.8 56 60 A H H X S+ 0 0 106 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.893 108.1 55.6 -65.0 -36.6 32.6 -2.9 26.9 57 61 A E H X S+ 0 0 59 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.892 105.3 52.8 -60.7 -40.8 32.5 -6.7 26.3 58 62 A E H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.880 105.1 54.1 -64.5 -37.6 34.7 -7.2 29.3 59 63 A R H X S+ 0 0 134 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.921 108.3 50.4 -60.8 -41.1 32.3 -5.1 31.5 60 64 A E H X S+ 0 0 124 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.901 107.9 53.1 -61.3 -40.3 29.5 -7.4 30.3 61 65 A H H X S+ 0 0 18 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.903 110.4 47.6 -59.7 -43.1 31.6 -10.4 31.2 62 66 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.926 110.2 51.7 -63.7 -46.1 32.0 -9.0 34.7 63 67 A E H X S+ 0 0 94 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.887 106.8 53.3 -59.7 -39.8 28.3 -8.3 35.1 64 68 A K H X S+ 0 0 75 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.854 108.7 49.9 -65.6 -34.8 27.4 -11.8 34.1 65 69 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.860 109.0 51.6 -70.5 -35.8 29.7 -13.2 36.8 66 70 A M H X S+ 0 0 51 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 110.3 49.4 -64.2 -41.4 28.1 -10.8 39.4 67 71 A K H X S+ 0 0 133 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.917 110.4 50.9 -59.7 -44.4 24.7 -12.2 38.3 68 72 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 6,-0.3 0.917 105.4 55.7 -61.2 -45.8 26.0 -15.7 38.6 69 73 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.6 0.946 113.2 41.3 -52.6 -50.7 27.3 -15.1 42.2 70 74 A N H ><5S+ 0 0 85 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.879 109.8 58.4 -66.0 -38.2 23.9 -13.9 43.2 71 75 A Q H 3<5S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.0 42.7 -57.9 -39.1 22.1 -16.7 41.3 72 76 A R H 3<5S- 0 0 23 -4,-2.3 -66,-0.5 -5,-0.1 -1,-0.2 0.504 119.3-108.2 -89.4 -4.2 24.0 -19.3 43.3 73 77 A G T <<5S+ 0 0 3 -3,-0.8 -71,-0.4 -4,-0.6 -3,-0.2 0.603 74.0 134.2 88.1 11.7 23.6 -17.5 46.7 74 78 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.3 -1,-0.3 -0.316 54.9-116.5 -79.9 173.6 27.2 -16.4 47.0 75 79 A R - 0 0 138 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.965 21.0-122.5-122.0 127.8 28.1 -12.8 48.0 76 80 A I - 0 0 53 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.488 25.9-174.2 -68.5 129.1 29.9 -10.4 45.8 77 81 A F - 0 0 134 -2,-0.2 2,-0.2 -63,-0.1 -2,-0.0 -0.981 10.7-158.5-125.9 116.1 33.2 -9.0 47.2 78 82 A L - 0 0 101 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.643 7.8-169.7 -98.1 150.8 34.8 -6.3 45.2 79 83 A Q - 0 0 129 -2,-0.2 -2,-0.0 -62,-0.2 0, 0.0 -0.828 40.8 -69.3-126.9 169.9 38.4 -5.2 45.2 80 84 A D - 0 0 132 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.257 45.3-125.6 -53.6 144.1 40.3 -2.3 43.6 81 85 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.0 -59,-0.1 -0.862 30.3-133.0 -93.5 111.6 40.6 -2.4 39.8 82 86 A K - 0 0 142 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.336 19.7-109.4 -65.7 143.5 44.3 -2.1 39.2 83 87 A K - 0 0 148 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.312 48.0 -86.2 -65.1 155.4 45.5 0.3 36.5 84 88 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.252 35.3-112.7 -62.1 153.4 46.8 -1.3 33.3 85 89 A D S S+ 0 0 145 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.762 97.1 43.0 -55.4 -28.1 50.5 -2.3 33.2 86 90 A C - 0 0 44 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.889 48.1-172.0-126.5 152.0 51.3 0.4 30.6 87 91 A D S S+ 0 0 132 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.750 89.4 42.8-101.6 -42.3 50.4 4.0 29.9 88 92 A D - 0 0 85 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.934 66.5-165.7-110.3 114.9 52.0 4.2 26.4 89 93 A W - 0 0 7 -2,-0.6 2,-2.4 -3,-0.1 6,-0.2 0.384 23.8-144.5 -89.5 4.3 51.2 1.2 24.3 90 94 A E - 0 0 142 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.173 61.2 -6.3 76.1 -48.8 53.9 2.0 21.7 91 95 A S S > S- 0 0 12 -2,-2.4 4,-2.2 1,-0.1 5,-0.2 -0.978 73.4 -94.7-168.1 165.2 52.2 0.8 18.4 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.921 124.1 50.1 -56.4 -45.9 49.2 -1.0 17.0 93 97 A L H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 109.7 49.2 -60.1 -47.0 51.2 -4.2 17.0 94 98 A N H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 110.4 51.0 -64.0 -38.4 52.4 -3.9 20.6 95 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.929 110.3 49.3 -63.5 -44.3 48.8 -3.2 21.8 96 100 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.895 110.5 51.1 -59.4 -40.9 47.6 -6.3 20.0 97 101 A E H X S+ 0 0 60 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.898 110.2 49.1 -64.7 -39.6 50.4 -8.3 21.5 98 102 A C H X S+ 0 0 35 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.903 110.7 50.3 -65.2 -40.4 49.4 -7.0 25.0 99 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.910 109.2 51.7 -63.7 -43.0 45.8 -7.9 24.3 100 104 A L H X S+ 0 0 40 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.928 111.2 47.2 -57.2 -46.0 46.8 -11.4 23.3 101 105 A H H X S+ 0 0 124 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 112.4 50.9 -62.5 -43.9 48.8 -11.8 26.5 102 106 A L H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.934 110.1 47.9 -58.3 -49.2 45.8 -10.5 28.5 103 107 A E H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.859 111.0 51.1 -66.9 -34.0 43.3 -12.8 27.0 104 108 A K H X S+ 0 0 123 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.896 110.4 49.8 -67.6 -38.2 45.6 -15.8 27.5 105 109 A N H X S+ 0 0 84 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.926 111.6 48.2 -63.4 -42.5 46.0 -14.8 31.1 106 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 110.5 52.2 -64.1 -42.2 42.2 -14.5 31.5 107 111 A N H X S+ 0 0 29 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.914 107.0 52.1 -58.2 -45.1 41.8 -17.9 29.8 108 112 A Q H X S+ 0 0 94 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.924 109.1 50.5 -59.4 -42.4 44.2 -19.5 32.3 109 113 A S H X S+ 0 0 32 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.912 110.6 49.3 -61.2 -41.9 42.2 -18.0 35.2 110 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.870 109.7 51.1 -65.2 -38.3 39.0 -19.4 33.7 111 115 A L H X S+ 0 0 75 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.895 110.0 49.5 -66.6 -39.8 40.6 -22.9 33.2 112 116 A E H X S+ 0 0 111 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.905 110.8 51.2 -62.7 -39.6 41.7 -22.8 36.9 113 117 A L H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.907 110.2 48.6 -62.4 -42.2 38.2 -21.8 37.8 114 118 A H H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.896 108.7 53.6 -66.6 -39.0 36.8 -24.7 35.8 115 119 A K H X S+ 0 0 132 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.920 110.6 47.4 -60.7 -43.5 39.3 -27.1 37.5 116 120 A L H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.2 50.0 -61.4 -47.1 38.1 -25.9 40.9 117 121 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 -2,-0.2 0.896 112.3 48.6 -60.1 -39.0 34.4 -26.3 39.8 118 122 A T H ><5S+ 0 0 66 -4,-2.6 3,-1.6 3,-0.2 -1,-0.2 0.919 109.4 51.8 -64.7 -45.7 35.2 -29.8 38.6 119 123 A D H 3<5S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.848 112.6 46.0 -61.2 -33.9 37.0 -30.7 41.8 120 124 A K T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.258 113.1-120.3 -93.1 9.8 34.0 -29.5 43.9 121 125 A N T < 5 + 0 0 125 -3,-1.6 -3,-0.2 1,-0.2 3,-0.1 0.928 58.5 152.7 51.4 54.4 31.6 -31.4 41.6 122 126 A D >< + 0 0 2 -5,-2.6 4,-2.2 1,-0.2 -1,-0.2 -0.796 14.1 171.3-113.4 85.2 29.7 -28.3 40.5 123 127 A P H > S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.821 75.9 58.8 -71.2 -27.1 28.3 -29.1 37.1 124 128 A H H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.933 109.7 43.9 -63.2 -43.0 26.2 -26.0 36.9 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.898 111.9 53.3 -69.6 -39.3 29.3 -23.9 37.4 126 130 A C H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.951 111.2 46.2 -55.8 -50.7 31.3 -25.9 34.9 127 131 A D H X S+ 0 0 90 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.879 109.9 54.8 -61.9 -39.7 28.5 -25.5 32.3 128 132 A F H X S+ 0 0 10 -4,-2.2 4,-2.3 -5,-0.2 5,-0.3 0.938 111.6 43.6 -59.1 -46.5 28.3 -21.8 33.0 129 133 A I H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-1.9 0.925 116.6 46.8 -67.2 -43.9 32.0 -21.3 32.4 130 134 A E H <>S+ 0 0 97 -4,-2.6 5,-0.9 -5,-0.2 -2,-0.2 0.941 116.8 43.7 -60.7 -48.5 32.0 -23.5 29.3 131 135 A T H <5S+ 0 0 77 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.920 127.2 23.8 -66.1 -47.6 28.9 -21.8 27.8 132 136 A H H <5S+ 0 0 61 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.639 133.4 18.5-101.6 -15.5 29.7 -18.2 28.4 133 137 A Y T X5S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.3 -3,-0.2 0.761 104.0 63.3-125.2 -45.4 33.4 -17.9 28.7 134 138 A L H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 108.5 47.2 -60.4 -39.5 34.6 -16.7 23.8 137 141 A Q H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.918 110.5 50.7 -66.9 -44.3 38.2 -16.8 25.1 138 142 A V H X S+ 0 0 81 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.935 113.1 46.4 -59.9 -43.7 39.3 -19.2 22.3 139 143 A K H X S+ 0 0 125 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.908 113.5 48.8 -63.8 -41.3 37.7 -17.0 19.7 140 144 A A H X S+ 0 0 19 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.913 112.1 47.8 -65.8 -43.1 39.3 -13.8 21.2 141 145 A I H X S+ 0 0 33 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.917 112.3 49.5 -65.0 -42.5 42.8 -15.4 21.4 142 146 A K H X S+ 0 0 126 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.924 111.3 49.3 -62.3 -44.6 42.5 -16.6 17.8 143 147 A E H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 112.2 47.2 -61.2 -45.3 41.4 -13.2 16.5 144 148 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.889 111.1 52.4 -66.1 -37.0 44.2 -11.4 18.3 145 149 A G H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.935 109.4 49.3 -60.4 -46.2 46.7 -14.0 17.0 146 150 A D H X S+ 0 0 67 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.921 112.0 49.0 -58.1 -44.2 45.4 -13.4 13.5 147 151 A H H X S+ 0 0 19 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 110.7 49.0 -63.6 -46.7 45.8 -9.6 14.0 148 152 A V H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.935 111.2 51.4 -58.6 -45.9 49.3 -9.9 15.3 149 153 A T H X S+ 0 0 64 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.935 110.7 47.1 -57.0 -49.9 50.3 -12.1 12.4 150 154 A N H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.931 111.8 50.1 -60.7 -44.5 48.9 -9.7 9.8 151 155 A L H X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.7 0.928 112.9 47.1 -61.2 -43.6 50.6 -6.7 11.4 152 156 A R H ><5S+ 0 0 137 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.940 113.0 48.3 -60.7 -48.6 53.9 -8.5 11.5 153 157 A K H 3<5S+ 0 0 173 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.849 108.3 55.0 -62.7 -32.8 53.7 -9.6 7.9 154 158 A M H 3<5S- 0 0 74 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.636 125.8 -98.9 -75.8 -15.2 52.7 -6.1 6.8 155 159 A G T S+ 0 0 53 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.827 88.3 60.4 -65.0 -32.7 53.4 3.4 9.9 161 165 A L H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 100.2 54.5 -58.6 -42.3 51.8 2.6 6.5 162 166 A A H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.949 110.7 43.5 -57.7 -51.5 51.2 -1.0 7.7 163 167 A E H X S+ 0 0 17 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.904 113.5 53.2 -64.9 -36.6 49.3 0.0 10.8 164 168 A Y H X S+ 0 0 124 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.934 112.9 42.2 -60.5 -47.8 47.4 2.6 8.8 165 169 A L H X S+ 0 0 63 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.867 112.7 52.7 -72.6 -35.0 46.2 0.2 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 5,-1.8 0.915 105.6 56.3 -62.4 -43.7 45.4 -2.5 8.8 167 171 A D H <5S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.896 115.2 38.3 -51.7 -42.6 43.3 0.1 10.6 168 172 A K H <5S+ 0 0 74 -4,-1.5 4,-0.3 3,-0.2 -2,-0.2 0.922 125.0 33.4 -77.8 -46.0 41.3 0.6 7.4 169 173 A H H <5S+ 0 0 151 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.865 129.4 25.6 -85.8 -40.7 41.0 -2.9 6.0 170 174 A T T <5S+ 0 0 64 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.870 134.0 29.3 -90.8 -43.1 40.8 -5.2 9.0 171 175 A L < 0 0 26 -5,-1.8 -3,-0.2 0, 0.0 -4,-0.1 0.555 360.0 360.0 -96.6 -7.4 39.4 -3.0 11.8 172 176 A G 0 0 73 -6,-0.4 -4,-0.1 -4,-0.3 -5,-0.0 -0.362 360.0 360.0 -86.3 360.0 37.4 -0.6 9.6