==== 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 3AJP . 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) . 9840.0 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 0 175 0, 0.0 72,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 138.3 23.4 -19.0 54.8 2 6 A S > - 0 0 25 71,-0.4 3,-0.8 1,-0.1 72,-0.0 -0.271 360.0-134.7 -63.4 136.6 21.5 -18.1 51.6 3 7 A Q T 3 S+ 0 0 196 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.663 106.2 46.8 -63.2 -18.0 18.1 -19.7 51.0 4 8 A V T 3 S+ 0 0 76 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.632 82.9 116.5 -97.8 -15.9 19.0 -20.4 47.4 5 9 A R < + 0 0 62 -3,-0.8 2,-0.3 68,-0.2 68,-0.1 -0.290 32.0 156.3 -65.2 133.2 22.5 -21.8 48.0 6 10 A Q - 0 0 158 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.895 66.1 -10.1-160.0 124.4 23.0 -25.5 46.9 7 11 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.803 90.3 134.9 56.9 33.3 26.2 -27.4 46.0 8 12 A Y - 0 0 10 64,-0.1 -1,-0.2 65,-0.0 109,-0.0 -0.880 46.7-146.1-117.9 101.6 28.2 -24.1 45.9 9 13 A H > - 0 0 75 -2,-0.6 4,-2.3 1,-0.1 3,-0.4 -0.302 16.9-127.1 -71.0 146.5 31.5 -24.4 47.6 10 14 A Q H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.835 112.6 57.7 -58.5 -32.1 33.0 -21.4 49.5 11 15 A D H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 106.2 47.7 -64.8 -39.4 36.1 -21.9 47.4 12 16 A S H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.922 108.5 55.3 -67.7 -45.2 34.2 -21.5 44.2 13 17 A E H X S+ 0 0 27 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.915 110.8 44.6 -48.0 -50.2 32.4 -18.4 45.6 14 18 A A H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.909 111.2 53.2 -66.5 -42.7 35.9 -16.8 46.3 15 19 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.859 107.1 52.3 -59.7 -36.4 37.2 -17.8 42.9 16 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.896 107.7 51.7 -68.7 -39.3 34.2 -16.2 41.2 17 21 A N H X S+ 0 0 21 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.912 109.9 49.5 -61.3 -40.7 34.9 -12.9 43.1 18 22 A R H X S+ 0 0 164 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.914 110.0 51.0 -64.5 -38.9 38.5 -13.1 41.9 19 23 A Q H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.887 104.9 56.9 -66.7 -38.0 37.3 -13.6 38.3 20 24 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.937 107.7 48.4 -56.0 -46.7 35.0 -10.6 38.6 21 25 A N H X S+ 0 0 41 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.895 110.5 50.9 -60.8 -42.1 38.0 -8.4 39.4 22 26 A L H X S+ 0 0 38 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.863 108.5 51.6 -64.9 -37.0 40.0 -9.8 36.5 23 27 A E H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 111.6 47.0 -66.9 -40.7 37.2 -9.2 34.1 24 28 A L H X S+ 0 0 27 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.872 110.7 53.2 -66.9 -38.9 37.0 -5.5 35.3 25 29 A Y H X S+ 0 0 44 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.941 107.9 49.7 -60.5 -47.2 40.7 -5.3 35.0 26 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.884 108.0 54.5 -59.9 -37.4 40.6 -6.5 31.4 27 31 A S H X S+ 0 0 19 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.914 109.0 48.7 -59.9 -41.4 37.9 -3.9 30.8 28 32 A Y H X S+ 0 0 103 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.869 108.4 52.9 -68.7 -38.7 40.3 -1.2 32.1 29 33 A V H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.927 111.2 45.9 -62.6 -44.4 43.2 -2.4 30.0 30 34 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.857 109.8 54.9 -69.0 -34.4 41.2 -2.2 26.8 31 35 A L H X S+ 0 0 64 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.935 110.2 46.4 -61.7 -46.4 39.8 1.2 27.8 32 36 A S H X S+ 0 0 33 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.910 112.9 49.1 -61.1 -46.1 43.4 2.5 28.2 33 37 A M H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.915 107.0 58.0 -57.9 -44.7 44.5 1.0 24.9 34 38 A S H >< S+ 0 0 3 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.938 108.5 42.4 -53.1 -53.8 41.5 2.5 23.2 35 39 A Y H >< S+ 0 0 123 -4,-1.9 3,-0.6 1,-0.3 4,-0.4 0.742 102.0 68.8 -73.9 -20.8 42.3 6.1 24.1 36 40 A Y H >< S+ 0 0 26 -4,-1.5 3,-1.4 1,-0.2 7,-0.3 0.933 101.7 47.7 -56.3 -42.2 45.9 5.6 23.3 37 41 A F T << S+ 0 0 0 -4,-1.4 7,-1.8 -3,-0.7 11,-0.2 0.608 103.1 63.5 -78.4 -7.7 44.9 5.3 19.6 38 42 A D T < S+ 0 0 105 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.476 77.8 114.8 -88.1 -7.8 42.8 8.4 20.0 39 43 A R S X> S- 0 0 105 -3,-1.4 4,-2.6 -4,-0.4 3,-2.0 -0.381 76.6-124.8 -62.7 143.8 45.9 10.5 20.7 40 44 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.756 112.1 52.3 -62.5 -21.7 46.7 13.1 18.0 41 45 A D T 34 S+ 0 0 97 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.230 120.7 30.8-100.3 14.2 50.2 11.6 17.7 42 46 A V T <4 S+ 0 0 31 -3,-2.0 -2,-0.2 -5,-0.1 -5,-0.1 0.498 79.0 173.3-127.3 -59.1 48.9 8.1 17.1 43 47 A A < + 0 0 67 -4,-2.6 2,-0.6 -7,-0.3 -5,-0.2 0.835 17.0 145.4 56.0 49.2 45.6 8.7 15.4 44 48 A L > - 0 0 16 -7,-1.8 4,-2.1 1,-0.1 3,-0.4 -0.836 24.0-175.2-113.2 92.6 44.3 5.3 14.5 45 49 A K H > S+ 0 0 114 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.745 78.1 50.9 -66.4 -27.8 40.6 5.6 14.9 46 50 A N H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.830 107.4 52.4 -82.4 -30.9 39.7 2.0 14.2 47 51 A F H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.936 111.2 50.3 -59.2 -46.4 42.2 0.6 16.6 48 52 A A H X S+ 0 0 11 -4,-2.1 4,-2.0 -11,-0.2 -2,-0.2 0.942 112.8 44.5 -57.7 -49.0 40.5 3.0 19.1 49 53 A K H X S+ 0 0 122 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 111.8 54.0 -60.6 -43.6 37.0 1.8 18.2 50 54 A Y H X S+ 0 0 28 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.941 112.6 41.5 -58.2 -52.1 38.1 -1.9 18.3 51 55 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.833 111.1 56.5 -67.8 -31.7 39.6 -1.7 21.8 52 56 A L H X S+ 0 0 42 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.931 108.3 48.0 -66.0 -40.6 36.7 0.4 23.1 53 57 A H H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 110.5 51.3 -63.4 -43.4 34.3 -2.3 22.0 54 58 A Q H X S+ 0 0 15 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.876 107.9 53.9 -60.0 -37.2 36.5 -5.0 23.6 55 59 A S H X S+ 0 0 5 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.933 108.4 47.6 -63.2 -46.6 36.4 -2.9 26.8 56 60 A H H X S+ 0 0 106 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.901 108.9 55.2 -64.1 -36.6 32.6 -2.8 26.9 57 61 A E H X S+ 0 0 62 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 104.8 53.0 -61.0 -39.4 32.5 -6.5 26.3 58 62 A E H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.861 105.2 54.2 -66.4 -34.2 34.7 -7.2 29.3 59 63 A R H X S+ 0 0 133 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.916 107.2 51.6 -66.2 -39.0 32.4 -5.1 31.5 60 64 A E H X S+ 0 0 124 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.897 107.7 52.4 -59.6 -40.6 29.5 -7.4 30.2 61 65 A H H X S+ 0 0 34 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.871 110.0 48.7 -62.9 -39.4 31.6 -10.5 31.2 62 66 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.4 0.941 109.6 51.4 -65.5 -46.7 32.1 -9.0 34.7 63 67 A E H X S+ 0 0 92 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.874 106.9 53.6 -58.2 -38.1 28.4 -8.3 35.1 64 68 A K H X S+ 0 0 83 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.840 108.1 50.3 -68.4 -32.5 27.4 -11.8 34.1 65 69 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.864 109.3 51.0 -71.7 -36.2 29.7 -13.2 36.8 66 70 A M H X S+ 0 0 52 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.916 110.1 50.1 -65.7 -40.6 28.2 -10.9 39.4 67 71 A K H X S+ 0 0 134 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 110.7 49.9 -57.4 -44.9 24.8 -12.2 38.3 68 72 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 6,-0.3 0.916 105.2 56.8 -63.7 -44.4 26.0 -15.8 38.7 69 73 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.6 0.945 113.0 40.5 -52.5 -51.1 27.4 -15.1 42.2 70 74 A N H ><5S+ 0 0 86 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.875 109.6 59.7 -65.9 -37.6 23.9 -13.9 43.3 71 75 A Q H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.899 110.2 42.3 -57.0 -41.0 22.2 -16.7 41.3 72 76 A R H 3<5S- 0 0 24 -4,-2.3 -66,-0.5 -3,-0.1 -1,-0.2 0.515 119.8-108.0 -87.0 -6.8 24.1 -19.3 43.4 73 77 A G T <<5S+ 0 0 3 -3,-0.8 -71,-0.4 -4,-0.6 -3,-0.2 0.638 73.5 136.5 89.3 15.5 23.6 -17.5 46.7 74 78 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.2 -0.315 54.3-115.5 -81.3 172.7 27.2 -16.4 47.0 75 79 A R - 0 0 127 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.968 21.8-124.5-120.0 127.0 28.1 -12.9 48.1 76 80 A I - 0 0 44 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.436 25.9-175.9 -68.0 131.7 29.9 -10.4 45.8 77 81 A F - 0 0 140 -2,-0.2 2,-0.2 -63,-0.1 -2,-0.0 -0.957 10.0-158.7-132.2 114.4 33.1 -8.9 47.2 78 82 A L - 0 0 100 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.605 6.9-168.9 -93.7 150.3 34.8 -6.3 45.1 79 83 A Q - 0 0 143 -2,-0.2 -2,-0.0 -62,-0.2 0, 0.0 -0.862 40.9 -68.7-126.9 168.9 38.4 -5.2 45.2 80 84 A D - 0 0 129 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.213 45.4-126.2 -51.0 142.6 40.3 -2.2 43.6 81 85 A I - 0 0 73 -57,-0.1 -1,-0.1 -3,-0.0 -59,-0.1 -0.860 29.6-131.5 -93.1 113.0 40.7 -2.4 39.8 82 86 A K - 0 0 141 -2,-0.7 -54,-0.1 1,-0.1 3,-0.1 -0.350 19.8-110.0 -66.0 141.3 44.4 -2.1 39.2 83 87 A K - 0 0 122 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.319 48.5 -87.5 -61.8 152.6 45.5 0.4 36.5 84 88 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.238 35.0-113.7 -61.2 155.2 46.9 -1.2 33.4 85 89 A D S S+ 0 0 148 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.760 96.6 48.9 -59.0 -27.5 50.6 -2.1 33.4 86 90 A C - 0 0 45 1,-0.1 3,-0.2 -57,-0.0 -1,-0.0 -0.900 47.2-175.3-124.1 145.3 51.3 0.4 30.6 87 91 A D S S+ 0 0 115 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.783 88.9 43.1 -97.7 -41.8 50.5 4.1 29.9 88 92 A D - 0 0 90 1,-0.1 -1,-0.3 2,-0.0 -55,-0.1 -0.922 66.0-166.2-109.5 112.1 52.1 4.2 26.4 89 93 A W - 0 0 9 -2,-0.6 2,-2.4 -3,-0.2 6,-0.2 0.361 24.6-144.1 -83.4 6.1 51.2 1.2 24.3 90 94 A E - 0 0 130 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.175 60.4 -10.3 74.8 -50.9 53.9 2.0 21.7 91 95 A S S > S- 0 0 14 -2,-2.4 4,-2.1 1,-0.1 5,-0.2 -0.976 73.3 -91.2-170.9 165.3 52.2 0.9 18.5 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.933 124.5 48.9 -56.6 -48.1 49.2 -1.0 17.0 93 97 A L H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 110.0 50.5 -58.8 -45.9 51.2 -4.2 17.0 94 98 A N H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 110.0 50.1 -64.2 -38.8 52.4 -3.9 20.6 95 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.932 110.5 50.1 -62.7 -45.8 48.8 -3.2 21.8 96 100 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 110.6 50.0 -58.6 -41.8 47.6 -6.3 20.0 97 101 A E H X S+ 0 0 64 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.878 110.9 48.9 -66.1 -37.4 50.4 -8.4 21.5 98 102 A C H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.884 110.8 51.1 -67.5 -37.3 49.5 -7.1 25.0 99 103 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.917 108.7 51.3 -64.2 -43.2 45.8 -7.9 24.3 100 104 A L H X S+ 0 0 38 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 111.1 48.0 -58.6 -45.3 46.8 -11.4 23.3 101 105 A H H X S+ 0 0 121 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.903 111.7 50.5 -63.3 -43.0 48.8 -11.9 26.5 102 106 A L H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.924 110.6 48.6 -58.8 -48.1 45.9 -10.5 28.6 103 107 A E H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.884 110.7 50.0 -66.8 -36.5 43.3 -12.8 27.0 104 108 A K H X S+ 0 0 120 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.886 111.4 50.2 -66.5 -36.6 45.6 -15.8 27.5 105 109 A N H X S+ 0 0 87 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.925 111.2 47.5 -63.8 -45.2 46.0 -14.8 31.1 106 110 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.879 110.9 53.1 -63.8 -37.2 42.2 -14.5 31.5 107 111 A N H X S+ 0 0 28 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.913 106.5 51.6 -64.7 -42.4 41.8 -17.8 29.9 108 112 A Q H X S+ 0 0 96 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.897 108.6 51.7 -62.5 -37.5 44.2 -19.5 32.3 109 113 A S H X S+ 0 0 33 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.897 110.3 49.0 -64.7 -38.9 42.3 -18.0 35.2 110 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.859 109.5 51.2 -69.8 -36.6 39.0 -19.5 33.7 111 115 A L H X S+ 0 0 77 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.891 110.7 48.8 -67.4 -39.2 40.6 -22.9 33.3 112 116 A E H X S+ 0 0 109 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 111.0 51.1 -63.0 -42.1 41.8 -22.8 36.9 113 117 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 110.5 48.9 -60.5 -42.0 38.2 -21.8 37.9 114 118 A H H X S+ 0 0 37 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.915 107.7 54.2 -66.0 -41.9 36.9 -24.7 35.9 115 119 A K H X S+ 0 0 127 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.909 110.6 47.0 -56.6 -42.6 39.3 -27.1 37.5 116 120 A L H X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.945 110.6 50.7 -64.6 -49.0 38.1 -26.0 40.9 117 121 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 -2,-0.2 0.909 113.2 47.2 -55.3 -42.0 34.4 -26.3 39.9 118 122 A T H ><5S+ 0 0 69 -4,-2.8 3,-1.8 3,-0.2 -2,-0.2 0.933 110.2 52.2 -63.0 -46.8 35.3 -29.9 38.6 119 123 A D H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.874 112.8 45.1 -57.2 -38.0 37.1 -30.7 41.9 120 124 A K T 3<5S- 0 0 69 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.273 113.4-120.1 -91.5 11.5 34.1 -29.6 43.9 121 125 A N T < 5 + 0 0 125 -3,-1.8 -3,-0.2 1,-0.2 3,-0.1 0.936 58.6 152.5 50.3 54.8 31.7 -31.5 41.6 122 126 A D >< + 0 0 2 -5,-2.6 4,-2.2 1,-0.2 3,-0.2 -0.785 14.4 171.4-114.1 83.2 29.8 -28.4 40.6 123 127 A P H > S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.810 75.6 58.7 -69.2 -26.9 28.4 -29.2 37.1 124 128 A H H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.916 110.4 43.2 -63.1 -42.0 26.2 -26.0 37.0 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.881 112.0 53.5 -72.0 -39.3 29.3 -23.9 37.4 126 130 A C H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 111.3 46.3 -55.0 -48.6 31.3 -26.0 35.0 127 131 A D H X S+ 0 0 90 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.885 110.1 54.3 -64.4 -38.3 28.6 -25.5 32.4 128 132 A F H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 5,-0.4 0.932 111.2 44.3 -59.9 -49.2 28.4 -21.8 33.1 129 133 A I H X>S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-2.1 0.936 117.0 45.5 -61.6 -48.4 32.1 -21.3 32.5 130 134 A E H <>S+ 0 0 96 -4,-2.5 5,-0.9 3,-0.2 6,-0.2 0.939 116.8 44.6 -59.9 -50.7 32.1 -23.5 29.3 131 135 A T H <5S+ 0 0 79 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 127.4 23.1 -61.3 -49.4 28.9 -21.9 27.9 132 136 A H H <5S+ 0 0 74 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.687 133.9 19.0-100.3 -19.1 29.7 -18.2 28.5 133 137 A Y T X5S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.4 -3,-0.2 0.788 103.5 63.7-122.5 -42.8 33.5 -18.0 28.8 134 138 A L H > S+ 0 0 32 -6,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 107.9 45.3 -57.7 -42.1 34.6 -16.8 23.9 137 141 A Q H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.908 111.2 51.4 -67.8 -45.1 38.3 -16.8 25.1 138 142 A V H X S+ 0 0 78 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.911 112.6 46.8 -59.4 -42.8 39.4 -19.2 22.4 139 143 A K H X S+ 0 0 133 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.923 113.4 47.9 -63.8 -44.2 37.7 -17.0 19.8 140 144 A A H X S+ 0 0 18 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.906 112.6 48.9 -63.5 -41.1 39.2 -13.8 21.2 141 145 A I H X S+ 0 0 32 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.916 111.0 49.6 -67.0 -41.5 42.7 -15.4 21.4 142 146 A K H X S+ 0 0 123 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.928 111.1 50.4 -61.5 -44.8 42.5 -16.7 17.8 143 147 A E H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.929 112.2 45.5 -60.7 -48.1 41.4 -13.2 16.6 144 148 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.889 111.6 53.3 -63.0 -39.0 44.2 -11.4 18.3 145 149 A G H X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.942 109.4 48.7 -60.3 -45.6 46.7 -14.0 17.0 146 150 A D H X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 112.1 49.6 -58.6 -43.3 45.4 -13.4 13.5 147 151 A H H X S+ 0 0 19 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.926 110.2 48.5 -65.1 -48.3 45.8 -9.6 14.0 148 152 A V H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.930 111.2 52.4 -56.4 -45.7 49.3 -9.8 15.3 149 153 A T H X S+ 0 0 64 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.933 110.7 45.9 -57.6 -48.5 50.3 -12.1 12.4 150 154 A N H X S+ 0 0 77 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.935 112.4 50.0 -63.3 -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,-0.6 0.924 112.9 47.4 -60.8 -42.1 50.5 -6.7 11.4 152 156 A R H ><5S+ 0 0 137 -4,-2.6 3,-1.3 -5,-0.2 -2,-0.2 0.950 113.1 47.5 -63.2 -49.4 53.9 -8.5 11.5 153 157 A K H 3<5S+ 0 0 175 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 108.2 56.1 -61.3 -34.1 53.7 -9.7 7.9 154 158 A M H 3<5S- 0 0 74 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.604 125.7 -99.6 -74.0 -14.1 52.7 -6.2 6.8 155 159 A G T S+ 0 0 55 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.853 87.7 60.2 -65.4 -34.4 53.6 3.3 9.7 161 165 A L H > S+ 0 0 114 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.877 99.9 55.6 -56.0 -42.2 51.9 2.6 6.4 162 166 A A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 108.8 44.2 -62.3 -49.2 51.2 -1.0 7.6 163 167 A E H X S+ 0 0 18 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.910 113.8 52.8 -64.7 -37.1 49.4 0.0 10.8 164 168 A Y H X S+ 0 0 124 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.931 112.0 43.5 -58.6 -50.1 47.5 2.6 8.8 165 169 A L H X S+ 0 0 62 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.862 113.0 51.9 -68.1 -35.8 46.3 0.2 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 5,-1.8 0.906 105.5 56.1 -65.3 -43.2 45.4 -2.5 8.8 167 171 A D H <5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.894 115.7 38.6 -51.6 -41.1 43.4 0.1 10.7 168 172 A K H <5S+ 0 0 75 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.900 124.8 33.0 -81.5 -44.3 41.4 0.6 7.5 169 173 A H H <5S+ 0 0 153 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.2 0.827 129.8 25.7 -86.8 -37.6 41.0 -2.9 6.0 170 174 A T T <5S+ 0 0 65 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.873 132.5 31.4 -95.7 -43.5 40.8 -5.2 9.1 171 175 A L < 0 0 27 -5,-1.8 -3,-0.2 1,-0.1 -4,-0.1 0.517 360.0 360.0 -93.2 -6.9 39.5 -3.0 11.8 172 176 A G 0 0 77 -6,-0.4 -3,-0.2 -4,-0.1 -4,-0.1 0.903 360.0 360.0 -96.3 360.0 37.4 -0.8 9.5