==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON STORAGE 03-MAR-97 2FHA . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.D.HEMPSTEAD,P.J.ARTYMIUK,P.M.HARRISON . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 79.1 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 . 115 66.9 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 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 5 A T 0 0 173 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 125.6 24.3 -18.7 55.3 2 6 A S > - 0 0 26 71,-0.5 3,-0.7 1,-0.1 72,-0.0 -0.183 360.0-133.2 -57.4 140.0 22.0 -18.1 52.3 3 7 A Q T 3 S+ 0 0 195 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.640 108.7 49.5 -65.5 -16.8 18.7 -19.9 52.0 4 8 A V T 3 S+ 0 0 81 69,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.618 80.5 117.5 -97.5 -17.1 19.6 -20.7 48.4 5 9 A R < + 0 0 70 -3,-0.7 2,-0.3 68,-0.2 68,-0.1 -0.314 33.2 159.7 -58.9 126.2 23.1 -22.0 48.9 6 10 A Q - 0 0 159 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.930 65.8 -12.7-153.1 122.4 23.5 -25.7 47.8 7 11 A N S S+ 0 0 100 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.810 90.2 138.2 58.1 33.1 26.6 -27.6 46.9 8 12 A Y - 0 0 13 64,-0.1 -1,-0.2 65,-0.0 2,-0.1 -0.894 44.4-145.1-115.3 102.4 28.6 -24.4 46.8 9 13 A H > - 0 0 77 -2,-0.7 4,-2.1 1,-0.1 3,-0.4 -0.316 16.1-127.1 -69.5 146.5 32.1 -24.7 48.4 10 14 A Q H > S+ 0 0 147 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.824 111.4 55.1 -58.6 -35.2 33.7 -21.9 50.3 11 15 A D H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.852 107.1 49.9 -67.9 -36.4 36.8 -22.3 48.1 12 16 A S H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.927 107.8 53.8 -66.6 -44.9 34.8 -21.8 44.9 13 17 A E H X S+ 0 0 28 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.910 110.9 46.6 -55.0 -46.0 33.1 -18.7 46.3 14 18 A A H X S+ 0 0 41 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.886 110.0 52.1 -66.2 -41.3 36.6 -17.2 47.0 15 19 A A H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.870 107.2 53.5 -64.8 -35.7 38.0 -18.1 43.6 16 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.935 106.2 52.8 -64.0 -44.1 35.0 -16.4 41.9 17 21 A N H X S+ 0 0 16 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.884 110.3 48.8 -59.5 -37.0 35.7 -13.2 43.9 18 22 A R H X S+ 0 0 152 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.899 108.7 51.8 -69.1 -41.5 39.3 -13.3 42.6 19 23 A Q H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.870 104.5 58.5 -63.7 -35.3 38.2 -13.9 39.0 20 24 A I H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.930 107.3 46.0 -59.3 -45.9 35.9 -10.9 39.2 21 25 A N H X S+ 0 0 31 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.894 110.1 54.9 -65.2 -38.6 38.9 -8.6 40.1 22 26 A L H X S+ 0 0 46 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.904 108.4 47.2 -62.6 -42.2 40.9 -10.1 37.3 23 27 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.867 111.8 50.7 -67.9 -36.5 38.3 -9.3 34.6 24 28 A L H X S+ 0 0 35 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.897 109.8 51.2 -67.7 -37.0 37.9 -5.8 36.0 25 29 A Y H X S+ 0 0 49 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.922 108.4 50.5 -64.5 -44.9 41.7 -5.4 35.8 26 30 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.905 108.0 54.4 -59.9 -39.5 41.7 -6.6 32.1 27 31 A S H X S+ 0 0 17 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.905 108.2 49.2 -58.5 -43.3 39.0 -4.1 31.4 28 32 A Y H X S+ 0 0 104 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.882 108.7 52.6 -65.3 -40.6 41.2 -1.3 32.8 29 33 A V H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.944 110.5 47.0 -60.8 -48.8 44.2 -2.4 30.8 30 34 A Y H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.845 109.1 55.5 -63.5 -32.9 42.2 -2.3 27.5 31 35 A L H X S+ 0 0 66 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.920 108.4 47.9 -65.4 -42.8 40.8 1.1 28.5 32 36 A S H X S+ 0 0 36 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.909 111.8 49.4 -63.8 -43.7 44.4 2.5 28.8 33 37 A M H >X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 3,-0.6 0.911 107.2 56.9 -62.5 -44.2 45.4 1.0 25.5 34 38 A S H >X S+ 0 0 5 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.951 108.8 42.9 -52.3 -57.2 42.4 2.5 23.7 35 39 A Y H 3< S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.628 103.9 66.5 -70.8 -11.0 43.1 6.1 24.7 36 40 A Y H X< S+ 0 0 21 -4,-0.9 3,-1.2 -3,-0.6 7,-0.3 0.904 101.9 48.4 -73.2 -38.1 46.8 5.7 23.9 37 41 A F H << S+ 0 0 1 -4,-1.5 7,-1.7 -3,-0.6 11,-0.2 0.637 102.2 64.7 -75.8 -10.8 45.8 5.2 20.3 38 42 A D T 3< S+ 0 0 107 -4,-0.5 -1,-0.2 5,-0.2 -2,-0.2 0.522 77.9 115.0 -86.3 -8.1 43.6 8.4 20.5 39 43 A R S X> S- 0 0 94 -3,-1.2 4,-2.4 -4,-0.2 3,-1.8 -0.320 75.6-125.1 -64.0 146.1 46.7 10.6 21.2 40 44 A D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.760 112.3 53.1 -64.2 -23.8 47.6 13.2 18.5 41 45 A D T 34 S+ 0 0 96 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.292 121.2 29.3 -95.7 10.7 51.0 11.7 18.2 42 46 A V T <4 S+ 0 0 36 -3,-1.8 -2,-0.2 -5,-0.1 -5,-0.1 0.532 78.1 174.0-126.2 -61.1 49.8 8.1 17.6 43 47 A A < + 0 0 62 -4,-2.4 2,-0.6 -7,-0.3 -5,-0.2 0.859 16.9 145.6 53.5 55.3 46.4 8.7 15.9 44 48 A L > - 0 0 20 -7,-1.7 4,-2.0 1,-0.1 3,-0.2 -0.857 23.1-175.4-120.2 90.6 45.2 5.2 14.9 45 49 A K H > S+ 0 0 162 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.753 78.6 49.8 -59.1 -34.5 41.4 5.4 15.3 46 50 A N H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.847 108.3 52.2 -79.7 -29.4 40.5 1.9 14.6 47 51 A F H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.941 110.9 51.0 -64.9 -43.8 43.1 0.5 17.0 48 52 A A H X S+ 0 0 12 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.913 111.6 45.4 -59.2 -45.7 41.5 2.8 19.5 49 53 A K H X S+ 0 0 148 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.885 110.0 55.9 -66.2 -38.4 37.9 1.5 18.8 50 54 A Y H X S+ 0 0 32 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.943 111.0 42.0 -59.6 -50.4 39.1 -2.1 18.8 51 55 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.815 110.6 56.7 -69.8 -29.1 40.5 -1.9 22.3 52 56 A L H X S+ 0 0 47 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.914 107.0 49.7 -67.8 -40.2 37.6 0.2 23.7 53 57 A H H X S+ 0 0 102 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.912 109.6 51.2 -62.6 -42.8 35.2 -2.6 22.6 54 58 A Q H X S+ 0 0 30 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.877 107.8 54.5 -60.3 -39.4 37.4 -5.2 24.3 55 59 A S H X S+ 0 0 7 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.913 108.0 47.7 -60.9 -45.4 37.3 -3.0 27.5 56 60 A H H X S+ 0 0 110 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.874 110.5 52.5 -65.2 -37.9 33.5 -3.0 27.5 57 61 A E H X S+ 0 0 66 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.870 106.9 51.6 -67.2 -37.0 33.3 -6.8 27.0 58 62 A E H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.907 108.0 52.8 -66.6 -38.2 35.6 -7.5 29.9 59 63 A R H X S+ 0 0 139 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.904 108.8 50.4 -62.7 -38.6 33.4 -5.3 32.1 60 64 A E H X S+ 0 0 95 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.894 106.1 55.0 -66.3 -40.0 30.5 -7.4 31.0 61 65 A H H X S+ 0 0 22 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.873 108.0 50.3 -59.2 -40.0 32.3 -10.6 31.8 62 66 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.2 0.912 107.9 51.4 -65.9 -44.0 32.9 -9.4 35.4 63 67 A E H X S+ 0 0 93 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.862 106.1 56.3 -61.9 -34.9 29.2 -8.4 35.9 64 68 A K H X S+ 0 0 71 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.859 107.4 48.4 -64.8 -36.1 28.2 -12.0 34.7 65 69 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.853 108.9 53.2 -73.1 -32.9 30.4 -13.5 37.4 66 70 A M H X S+ 0 0 53 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.902 109.0 50.2 -67.4 -37.3 28.9 -11.1 40.0 67 71 A K H X S+ 0 0 146 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.916 110.0 50.1 -65.6 -43.0 25.5 -12.3 38.9 68 72 A L H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 6,-0.2 0.906 105.5 56.4 -62.6 -43.4 26.6 -15.9 39.3 69 73 A Q H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.6 0.952 111.2 43.3 -53.6 -51.5 27.9 -15.3 42.8 70 74 A N H ><5S+ 0 0 88 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.869 109.0 58.4 -63.0 -38.5 24.5 -14.0 44.0 71 75 A Q H 3<5S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.4 46.1 -59.6 -39.6 22.6 -16.9 42.2 72 76 A R H 3<5S- 0 0 28 -4,-2.0 -66,-0.5 -3,-0.2 -1,-0.2 0.516 120.1-104.8 -84.3 -5.6 24.6 -19.5 44.1 73 77 A G T <<5S+ 0 0 3 -3,-0.8 -71,-0.5 -4,-0.6 -3,-0.2 0.591 77.4 133.9 92.8 11.6 24.2 -17.9 47.6 74 78 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.306 53.1-117.4 -86.1 175.1 27.7 -16.6 47.7 75 79 A R - 0 0 124 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.951 18.1-125.1-125.0 125.4 28.8 -13.1 48.7 76 80 A I - 0 0 46 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.385 25.0-176.8 -66.5 131.7 30.6 -10.5 46.6 77 81 A F - 0 0 142 -2,-0.2 2,-0.2 -63,-0.1 -1,-0.0 -0.942 10.8-157.7-132.9 110.6 33.8 -9.1 47.9 78 82 A L - 0 0 117 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.536 6.3-166.2 -89.4 154.9 35.6 -6.4 45.9 79 83 A Q - 0 0 112 -2,-0.2 -2,-0.0 -62,-0.1 -1,-0.0 -0.813 38.5 -73.5-130.1 170.0 39.2 -5.3 45.9 80 84 A D - 0 0 133 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.279 44.7-126.5 -57.8 150.7 41.2 -2.4 44.6 81 85 A I - 0 0 77 -57,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.902 28.2-133.5-102.7 111.9 41.6 -2.4 40.8 82 86 A Q - 0 0 121 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.384 18.2-111.9 -66.8 143.4 45.3 -2.1 40.1 83 87 A K - 0 0 122 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.375 44.0 -92.0 -70.5 150.8 46.5 0.4 37.5 84 88 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.168 30.1-119.6 -60.2 158.5 48.1 -1.1 34.3 85 89 A D S S+ 0 0 149 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.793 94.2 49.7 -71.6 -30.1 51.8 -1.7 34.3 86 90 A C - 0 0 54 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.842 48.4-176.3-112.9 150.3 52.4 0.6 31.3 87 91 A D S S+ 0 0 119 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.646 84.6 47.2-108.1 -30.0 51.2 4.2 30.5 88 92 A D - 0 0 79 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.964 66.5-163.7-117.2 122.9 52.7 4.2 27.0 89 93 A W - 0 0 13 -2,-0.5 2,-2.5 -57,-0.1 6,-0.2 0.343 21.3-144.1 -94.1 8.2 52.1 1.2 24.8 90 94 A E - 0 0 142 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.257 61.3 -11.9 71.6 -63.1 54.8 1.9 22.1 91 95 A S > - 0 0 16 -2,-2.5 4,-2.5 1,-0.1 5,-0.2 -0.981 69.3 -93.9-162.5 171.1 53.1 0.7 19.0 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.929 123.6 47.4 -60.8 -47.9 50.1 -1.2 17.5 93 97 A L H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 111.1 50.8 -61.5 -43.1 52.1 -4.4 17.3 94 98 A N H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 109.5 50.9 -62.7 -42.2 53.4 -4.1 20.9 95 99 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.910 110.4 49.3 -60.6 -43.0 49.8 -3.4 22.2 96 100 A M H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.847 110.3 50.9 -65.3 -35.5 48.5 -6.6 20.4 97 101 A E H X S+ 0 0 64 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.905 110.3 49.1 -69.0 -39.9 51.4 -8.6 21.8 98 102 A C H X S+ 0 0 40 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.890 110.1 51.5 -65.7 -39.5 50.6 -7.4 25.3 99 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.874 107.5 52.7 -64.6 -37.9 46.9 -8.2 24.8 100 104 A L H X S+ 0 0 36 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.930 111.0 47.1 -63.5 -44.0 47.7 -11.8 23.7 101 105 A H H X S+ 0 0 120 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.923 111.7 51.3 -63.0 -43.6 49.8 -12.2 26.8 102 106 A L H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 109.9 49.0 -59.7 -48.1 47.0 -10.8 29.0 103 107 A E H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.865 108.1 52.8 -63.0 -37.0 44.4 -13.1 27.5 104 108 A K H X S+ 0 0 123 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.871 109.6 50.6 -67.3 -32.7 46.5 -16.2 28.0 105 109 A N H X S+ 0 0 86 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.910 110.1 47.8 -69.9 -42.9 46.9 -15.3 31.6 106 110 A V H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.899 110.5 54.0 -64.1 -38.0 43.2 -14.8 32.1 107 111 A N H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 105.4 53.1 -61.8 -42.6 42.7 -18.2 30.4 108 112 A Q H X S+ 0 0 101 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.896 107.9 50.7 -59.8 -40.9 45.1 -19.9 32.8 109 113 A S H X S+ 0 0 37 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.881 110.0 49.9 -65.5 -38.0 43.1 -18.5 35.8 110 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.867 108.4 52.1 -68.6 -37.7 39.9 -19.9 34.3 111 115 A L H X S+ 0 0 78 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.888 110.1 49.6 -66.0 -36.5 41.4 -23.3 33.7 112 116 A E H X S+ 0 0 126 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.883 109.3 51.8 -69.7 -35.5 42.5 -23.4 37.4 113 117 A L H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.895 108.9 51.2 -65.6 -41.0 39.0 -22.4 38.5 114 118 A H H X S+ 0 0 37 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.866 108.2 51.5 -65.2 -37.5 37.5 -25.2 36.4 115 119 A K H X S+ 0 0 123 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.898 110.3 49.1 -66.6 -40.5 39.9 -27.7 38.0 116 120 A L H X S+ 0 0 35 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.932 109.6 50.7 -64.5 -45.3 38.9 -26.6 41.5 117 121 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.870 110.8 51.2 -60.1 -36.3 35.2 -26.8 40.6 118 122 A T H ><5S+ 0 0 67 -4,-1.8 3,-1.5 3,-0.2 -1,-0.2 0.930 108.5 49.6 -66.2 -46.4 35.8 -30.3 39.4 119 123 A D H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.823 112.7 48.1 -61.7 -32.9 37.6 -31.3 42.6 120 124 A K T 3<5S- 0 0 70 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.350 112.6-121.9 -89.1 3.6 34.7 -30.0 44.6 121 125 A N T < 5 + 0 0 124 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.938 57.4 151.9 53.8 55.6 32.2 -31.8 42.4 122 126 A D >< + 0 0 3 -5,-2.5 4,-2.0 1,-0.2 -1,-0.2 -0.813 15.5 174.3-116.7 84.6 30.3 -28.7 41.4 123 127 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.830 77.1 56.7 -62.7 -33.1 28.9 -29.6 37.9 124 128 A H H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.932 109.1 45.2 -65.2 -43.7 26.9 -26.4 37.6 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.891 111.4 53.9 -65.9 -39.1 30.0 -24.2 38.1 126 130 A C H X S+ 0 0 15 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.928 111.4 44.4 -60.0 -47.6 32.0 -26.3 35.6 127 131 A D H X S+ 0 0 90 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.865 109.2 56.6 -68.1 -35.3 29.4 -26.0 32.9 128 132 A F H X S+ 0 0 22 -4,-2.0 4,-2.7 -5,-0.2 5,-0.4 0.948 111.5 42.9 -59.8 -49.3 29.0 -22.2 33.5 129 133 A I H X>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-2.0 0.910 116.3 48.2 -62.4 -45.9 32.7 -21.7 33.0 130 134 A E H <>S+ 0 0 86 -4,-2.3 5,-1.0 3,-0.2 -2,-0.2 0.954 117.0 42.4 -58.9 -53.8 32.8 -24.0 29.9 131 135 A T H <5S+ 0 0 76 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.925 127.0 25.0 -61.2 -53.7 29.8 -22.4 28.4 132 136 A H H <5S+ 0 0 70 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.665 133.1 19.7 -91.5 -20.6 30.4 -18.7 28.9 133 137 A Y T X5S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.4 -3,-0.2 0.794 106.8 60.9-118.2 -50.9 34.2 -18.4 29.3 134 138 A L H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 108.0 50.7 -65.1 -40.7 35.3 -17.2 24.2 137 141 A Q H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 108.3 51.1 -62.5 -45.3 38.9 -17.2 25.5 138 142 A V H X S+ 0 0 84 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.912 112.1 47.0 -60.9 -41.6 40.1 -19.6 22.8 139 143 A K H X S+ 0 0 123 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.915 111.7 50.9 -66.4 -43.0 38.5 -17.5 20.0 140 144 A A H X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.895 110.7 48.7 -60.5 -44.1 40.0 -14.3 21.5 141 145 A I H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.887 110.5 49.9 -65.9 -39.6 43.5 -15.8 21.6 142 146 A K H X S+ 0 0 128 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.912 110.4 51.5 -66.4 -40.8 43.3 -17.1 18.0 143 147 A E H X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 110.6 46.9 -61.9 -46.5 42.2 -13.7 16.8 144 148 A L H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.866 110.6 53.1 -64.9 -36.6 45.0 -11.8 18.5 145 149 A G H X S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.932 108.3 50.6 -63.7 -45.2 47.5 -14.4 17.2 146 150 A D H X S+ 0 0 68 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.934 111.2 48.3 -56.7 -48.4 46.2 -13.8 13.7 147 151 A H H X S+ 0 0 23 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.906 110.7 50.4 -59.6 -46.4 46.6 -10.0 14.1 148 152 A V H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.910 109.6 51.3 -60.0 -42.8 50.1 -10.3 15.5 149 153 A T H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.938 111.0 47.7 -60.6 -47.2 51.2 -12.5 12.6 150 154 A N H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 111.3 49.5 -61.8 -44.8 49.8 -10.0 10.0 151 155 A L H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.8 0.916 112.8 48.1 -62.7 -41.7 51.5 -6.9 11.5 152 156 A R H ><5S+ 0 0 137 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.932 111.6 48.9 -64.2 -46.6 54.8 -8.7 11.7 153 157 A K H 3<5S+ 0 0 179 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.2 56.2 -64.0 -31.4 54.6 -9.9 8.1 154 158 A M H 3<5S- 0 0 80 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.683 124.9-101.1 -73.8 -19.4 53.7 -6.4 6.9 155 159 A G T S+ 0 0 58 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.767 87.9 60.4 -72.3 -25.9 54.6 3.2 9.8 161 165 A L H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 99.2 57.5 -68.0 -36.1 52.8 2.4 6.6 162 166 A A H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 107.9 44.1 -60.5 -52.7 52.1 -1.1 7.8 163 167 A E H X S+ 0 0 20 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.883 112.8 53.4 -62.7 -36.4 50.3 -0.1 10.9 164 168 A Y H X S+ 0 0 121 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.922 111.8 44.4 -63.3 -44.9 48.3 2.6 9.0 165 169 A L H X S+ 0 0 62 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.849 111.4 52.0 -70.2 -35.9 47.1 0.1 6.4 166 170 A F H X>S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 5,-2.0 0.908 106.8 54.7 -66.2 -41.4 46.3 -2.6 9.0 167 171 A D H <5S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.900 117.2 37.1 -57.7 -42.1 44.2 -0.0 10.9 168 172 A K H <5S+ 0 0 99 -4,-1.5 -2,-0.2 3,-0.2 4,-0.2 0.945 125.6 33.5 -75.8 -53.3 42.2 0.7 7.7 169 173 A H H <5S+ 0 0 156 -4,-3.1 -3,-0.2 2,-0.1 -2,-0.2 0.756 130.8 23.7 -81.5 -29.8 41.9 -2.8 6.1 170 174 A T T <5S+ 0 0 68 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.842 132.7 31.3-101.5 -51.2 41.7 -5.1 9.0 171 175 A L < 0 0 33 -5,-2.0 -3,-0.2 0, 0.0 -4,-0.2 0.634 360.0 360.0 -84.1 -13.4 40.4 -3.1 12.0 172 176 A G 0 0 72 -6,-0.4 -4,-0.1 -4,-0.2 -126,-0.0 -0.357 360.0 360.0 -90.5 360.0 38.3 -0.8 9.8