==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-MAR-06 2CIH . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TOUSSAINT,R.R.CRICHTON,J.P.DECLERCQ . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9918.0 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 . 7 4.1 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 0 168 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 128.9 23.9 -19.2 54.4 2 6 A S > - 0 0 24 71,-0.5 3,-1.3 1,-0.1 72,-0.0 -0.350 360.0-124.9 -60.2 142.9 21.7 -18.0 51.6 3 7 A Q T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.0 70,-0.0 0.691 112.3 48.7 -58.6 -21.6 18.3 -19.7 51.2 4 8 A V T 3 S+ 0 0 78 69,-0.0 -1,-0.3 2,-0.0 69,-0.1 0.623 82.1 118.1 -93.0 -13.5 19.2 -20.4 47.6 5 9 A R < + 0 0 67 -3,-1.3 2,-0.3 68,-0.2 68,-0.1 -0.301 31.3 156.1 -66.7 134.5 22.7 -21.9 48.2 6 10 A Q - 0 0 159 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.900 66.0 -11.3-159.6 123.2 23.1 -25.5 47.1 7 11 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.795 90.2 135.7 59.5 33.4 26.3 -27.4 46.2 8 12 A Y - 0 0 10 64,-0.1 -1,-0.2 117,-0.0 2,-0.1 -0.920 45.6-146.1-120.8 104.3 28.3 -24.1 46.0 9 13 A H >> - 0 0 70 -2,-0.6 4,-2.1 1,-0.1 3,-0.6 -0.388 17.7-125.6 -74.8 147.6 31.7 -24.4 47.7 10 14 A Q H 3> S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.839 112.7 55.7 -57.2 -33.9 33.2 -21.5 49.6 11 15 A D H 3> S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.860 106.8 49.8 -68.6 -34.8 36.4 -21.9 47.4 12 16 A S H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.912 109.3 51.6 -68.2 -43.9 34.3 -21.5 44.3 13 17 A E H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 111.8 46.6 -55.5 -47.4 32.6 -18.4 45.7 14 18 A A H X S+ 0 0 42 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.900 110.8 52.3 -65.0 -39.8 36.0 -16.9 46.4 15 19 A A H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.864 106.5 53.7 -64.1 -36.8 37.3 -17.8 42.9 16 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.927 107.0 51.6 -66.7 -39.6 34.3 -16.2 41.3 17 21 A N H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.905 109.7 49.7 -62.0 -41.0 35.1 -13.0 43.2 18 22 A R H X S+ 0 0 160 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.925 111.1 49.7 -61.7 -39.2 38.7 -13.1 41.9 19 23 A Q H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.868 104.9 57.1 -71.5 -35.2 37.5 -13.6 38.3 20 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.951 109.7 46.3 -55.8 -47.1 35.1 -10.6 38.6 21 25 A N H X S+ 0 0 39 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.899 110.3 53.0 -61.5 -41.3 38.1 -8.5 39.5 22 26 A L H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.909 109.8 47.7 -63.5 -41.7 40.2 -10.0 36.6 23 27 A D H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.891 111.8 49.7 -69.3 -35.8 37.5 -9.2 34.0 24 28 A L H X S+ 0 0 26 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.911 110.9 51.1 -63.6 -42.3 37.2 -5.6 35.4 25 29 A Y H X S+ 0 0 44 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.934 108.6 50.7 -57.6 -47.8 40.9 -5.3 35.1 26 30 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.908 107.5 53.9 -58.5 -40.1 40.8 -6.5 31.5 27 31 A S H X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 109.8 48.4 -59.1 -39.1 38.1 -3.9 30.8 28 32 A Y H X S+ 0 0 106 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 108.0 53.3 -70.5 -41.0 40.5 -1.2 32.2 29 33 A V H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.940 112.0 45.4 -55.7 -48.3 43.5 -2.4 30.1 30 34 A Y H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.862 109.5 55.1 -70.2 -34.3 41.4 -2.2 26.9 31 35 A L H X S+ 0 0 63 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.936 110.2 46.8 -59.0 -46.3 40.0 1.2 27.9 32 36 A S H X S+ 0 0 34 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.936 112.8 48.9 -60.7 -47.2 43.6 2.5 28.3 33 37 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.2 0.926 107.8 56.3 -58.0 -46.0 44.6 1.0 25.0 34 38 A S H X S+ 0 0 4 -4,-2.7 4,-0.7 1,-0.2 3,-0.4 0.942 109.6 42.8 -52.9 -52.4 41.6 2.5 23.2 35 39 A Y H < S+ 0 0 126 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.743 103.9 65.5 -75.7 -18.6 42.4 6.1 24.2 36 40 A Y H >< S+ 0 0 22 -4,-1.6 3,-1.4 -3,-0.2 7,-0.3 0.936 103.5 48.3 -59.4 -43.6 46.1 5.7 23.5 37 41 A F H 3< S+ 0 0 0 -4,-1.6 7,-1.9 -3,-0.4 11,-0.2 0.682 104.0 61.4 -72.9 -14.3 45.1 5.2 19.8 38 42 A D T 3< S+ 0 0 104 -4,-0.7 -1,-0.3 5,-0.2 -2,-0.2 0.479 79.2 114.0 -82.9 -12.3 42.9 8.3 20.1 39 43 A R S X> S- 0 0 96 -3,-1.4 4,-2.3 -4,-0.4 3,-1.8 -0.377 77.1-124.0 -58.7 146.4 46.0 10.5 20.9 40 44 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.705 112.2 53.4 -64.4 -22.0 46.8 13.1 18.2 41 45 A D T 34 S+ 0 0 95 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.220 120.6 30.6 -99.2 14.0 50.3 11.6 17.9 42 46 A V T <4 S+ 0 0 33 -3,-1.8 -2,-0.2 -5,-0.1 -5,-0.1 0.517 78.3 173.8-128.6 -65.3 49.0 8.0 17.3 43 47 A A < + 0 0 61 -4,-2.3 2,-0.6 -7,-0.3 -5,-0.2 0.856 17.7 145.1 63.6 46.8 45.7 8.7 15.6 44 48 A L > - 0 0 16 -7,-1.9 4,-2.2 1,-0.1 -1,-0.2 -0.850 23.2-177.0-114.8 91.4 44.5 5.2 14.6 45 49 A K H > S+ 0 0 157 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.755 77.7 50.3 -67.1 -30.6 40.7 5.5 15.1 46 50 A N H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.853 108.5 51.3 -81.7 -32.2 39.8 1.9 14.3 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 111.8 50.6 -59.1 -43.0 42.3 0.5 16.7 48 52 A A H X S+ 0 0 11 -4,-2.2 4,-2.2 -11,-0.2 -2,-0.2 0.946 112.4 44.6 -58.7 -48.3 40.7 2.9 19.2 49 53 A K H X S+ 0 0 145 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.909 111.8 53.8 -62.0 -42.4 37.2 1.7 18.4 50 54 A Y H X S+ 0 0 29 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.948 111.8 43.3 -59.7 -48.6 38.3 -2.0 18.4 51 55 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.860 111.4 54.5 -71.4 -32.0 39.8 -1.7 21.9 52 56 A L H X S+ 0 0 44 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.929 107.7 51.2 -64.5 -39.8 36.8 0.3 23.3 53 57 A H H X S+ 0 0 106 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.937 110.3 48.3 -59.3 -45.2 34.5 -2.5 22.1 54 58 A Q H X S+ 0 0 18 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 108.9 55.3 -64.3 -36.1 36.7 -5.1 23.9 55 59 A S H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.927 109.0 45.5 -61.2 -46.6 36.6 -2.9 27.0 56 60 A H H X S+ 0 0 114 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.910 111.1 54.3 -66.0 -36.0 32.9 -2.8 27.1 57 61 A E H X S+ 0 0 55 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.911 105.8 51.7 -62.6 -43.2 32.7 -6.6 26.5 58 62 A E H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 106.5 54.4 -62.3 -37.5 35.0 -7.3 29.5 59 63 A R H X S+ 0 0 129 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.917 107.3 50.5 -61.7 -39.8 32.7 -5.3 31.7 60 64 A E H X S+ 0 0 108 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.893 107.0 55.1 -63.1 -39.1 29.8 -7.4 30.5 61 65 A H H X S+ 0 0 22 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.918 109.8 46.8 -57.2 -44.5 31.9 -10.5 31.4 62 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.916 110.2 51.6 -66.9 -42.6 32.3 -9.2 34.9 63 67 A E H X S+ 0 0 69 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.880 107.4 52.9 -62.4 -37.6 28.6 -8.3 35.3 64 68 A K H X S+ 0 0 87 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.860 109.2 49.7 -68.0 -32.9 27.6 -11.8 34.2 65 69 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.872 109.2 51.8 -68.1 -39.4 29.9 -13.3 36.9 66 70 A M H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 109.9 49.4 -61.8 -43.2 28.3 -10.9 39.5 67 71 A K H X S+ 0 0 133 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.925 110.6 51.0 -59.4 -45.4 24.9 -12.2 38.4 68 72 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.920 105.6 55.3 -56.8 -47.1 26.2 -15.8 38.8 69 73 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.6 0.946 113.1 41.5 -55.1 -50.5 27.5 -15.1 42.3 70 74 A N H ><5S+ 0 0 85 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.883 109.3 59.0 -66.8 -37.6 24.1 -14.0 43.4 71 75 A Q H 3<5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.886 110.9 42.7 -55.2 -39.7 22.3 -16.8 41.5 72 76 A R H 3<5S- 0 0 24 -4,-2.3 -66,-0.5 -3,-0.2 -1,-0.2 0.494 119.5-108.1 -89.9 -3.2 24.2 -19.3 43.5 73 77 A G T <<5S+ 0 0 3 -3,-0.9 -71,-0.5 -4,-0.6 -3,-0.2 0.575 73.4 136.9 87.0 11.8 23.8 -17.5 46.9 74 78 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.3 -0.324 53.4-117.2 -76.7 171.2 27.4 -16.4 47.1 75 79 A R - 0 0 123 -2,-0.1 2,-0.3 -3,-0.1 -58,-0.1 -0.953 19.6-127.1-120.9 125.8 28.3 -12.9 48.2 76 80 A I - 0 0 45 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.513 23.9-176.6 -71.1 129.5 30.1 -10.4 46.0 77 81 A F - 0 0 135 -2,-0.3 2,-0.2 -63,-0.1 -2,-0.0 -0.976 13.2-154.5-127.5 113.7 33.3 -8.8 47.4 78 82 A L - 0 0 102 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.577 7.8-164.6 -87.1 151.3 34.8 -6.2 45.1 79 83 A Q - 0 0 131 -2,-0.2 -2,-0.0 -62,-0.2 -1,-0.0 -0.843 38.0 -72.3-126.5 166.6 38.5 -5.3 45.2 80 84 A D - 0 0 125 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.245 43.6-125.9 -53.8 146.7 40.4 -2.3 43.7 81 85 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.874 30.1-134.5 -95.4 108.7 40.8 -2.4 40.0 82 86 A Q - 0 0 119 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.366 18.4-110.3 -63.9 140.5 44.5 -2.1 39.4 83 87 A K - 0 0 128 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.360 46.5 -91.7 -63.3 149.2 45.8 0.4 36.8 84 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.202 31.2-112.8 -60.3 158.7 47.3 -1.3 33.7 85 89 A D S S+ 0 0 144 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.701 98.3 47.9 -63.5 -23.8 51.1 -2.0 33.5 86 90 A C - 0 0 44 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.914 47.2-175.5-122.2 146.1 51.6 0.6 30.7 87 91 A D S S+ 0 0 132 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.661 89.4 45.3 -99.2 -35.2 50.5 4.2 30.1 88 92 A D - 0 0 77 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.963 67.3-165.4-113.2 122.0 52.0 4.2 26.6 89 93 A W - 0 0 9 -2,-0.5 2,-2.2 -3,-0.1 6,-0.2 0.346 23.6-144.2 -95.9 5.0 51.3 1.1 24.4 90 94 A E - 0 0 136 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.245 61.1 -8.7 75.3 -54.2 53.9 1.9 21.8 91 95 A S S > S- 0 0 14 -2,-2.2 4,-2.5 1,-0.1 5,-0.2 -0.982 71.0 -96.0-166.0 165.7 52.3 0.7 18.6 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.921 124.1 49.7 -59.5 -44.5 49.2 -1.1 17.2 93 97 A L H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 110.8 48.8 -60.6 -47.5 51.3 -4.3 17.0 94 98 A N H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 110.5 50.8 -62.0 -40.9 52.5 -4.0 20.6 95 99 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.930 110.9 49.1 -61.2 -44.1 49.0 -3.3 21.8 96 100 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.888 111.0 49.6 -60.1 -42.5 47.7 -6.5 20.0 97 101 A E H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 112.1 48.8 -62.3 -41.7 50.6 -8.5 21.5 98 102 A C H X S+ 0 0 37 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.904 110.8 50.2 -64.2 -43.2 49.7 -7.2 25.0 99 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.905 108.7 52.2 -61.8 -42.6 46.1 -8.0 24.4 100 104 A L H X S+ 0 0 43 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.942 110.9 47.8 -56.7 -48.0 47.0 -11.6 23.3 101 105 A H H X S+ 0 0 122 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 111.8 50.5 -58.1 -47.1 49.0 -12.0 26.5 102 106 A L H X S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.919 109.8 49.3 -57.1 -47.7 46.1 -10.6 28.6 103 107 A E H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.859 109.4 51.7 -66.0 -34.1 43.6 -13.0 27.1 104 108 A K H X S+ 0 0 125 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.880 110.2 49.7 -68.0 -35.0 45.8 -16.0 27.6 105 109 A N H X S+ 0 0 81 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 111.6 48.1 -66.3 -44.0 46.2 -14.9 31.3 106 110 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.926 111.0 52.0 -60.4 -44.0 42.4 -14.6 31.6 107 111 A N H X S+ 0 0 28 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.926 106.7 52.3 -58.1 -45.4 42.0 -18.0 29.9 108 112 A Q H X S+ 0 0 101 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.918 109.5 50.1 -57.2 -42.6 44.4 -19.6 32.4 109 113 A S H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.912 111.8 47.7 -62.6 -42.2 42.3 -18.1 35.3 110 114 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.869 110.0 51.8 -68.4 -35.6 39.1 -19.5 33.8 111 115 A L H X S+ 0 0 77 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.872 109.8 49.8 -67.3 -37.4 40.7 -23.0 33.2 112 116 A E H X S+ 0 0 115 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.867 110.2 51.3 -66.8 -37.0 41.8 -23.0 36.9 113 117 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.897 109.3 49.9 -65.8 -40.3 38.2 -22.0 37.9 114 118 A H H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 109.2 51.6 -63.9 -42.7 36.8 -24.9 35.8 115 119 A K H X S+ 0 0 128 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.927 109.5 50.4 -60.9 -42.5 39.3 -27.3 37.5 116 120 A L H X S+ 0 0 31 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.917 108.9 51.6 -59.5 -44.7 38.1 -26.1 40.9 117 121 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 -2,-0.2 0.911 111.4 47.6 -58.0 -44.1 34.5 -26.6 39.8 118 122 A T H ><5S+ 0 0 75 -4,-2.5 3,-1.7 3,-0.2 -2,-0.2 0.931 110.8 51.3 -57.3 -50.1 35.4 -30.2 38.7 119 123 A D H 3<5S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.816 113.9 43.8 -62.7 -32.7 37.2 -30.8 42.0 120 124 A K T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.258 112.1-119.8 -95.5 10.5 34.2 -29.7 44.0 121 125 A N T < 5 + 0 0 124 -3,-1.7 -3,-0.2 1,-0.2 3,-0.1 0.930 59.6 151.4 49.5 57.0 31.7 -31.6 41.8 122 126 A D >< + 0 0 3 -5,-2.8 4,-2.3 1,-0.2 -1,-0.2 -0.792 15.1 171.5-117.9 81.5 29.9 -28.4 40.8 123 127 A P H > S+ 0 0 91 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.813 76.6 59.0 -66.7 -28.7 28.5 -29.2 37.3 124 128 A H H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.937 110.0 43.4 -63.6 -44.0 26.4 -26.1 37.2 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 112.0 53.4 -66.4 -42.5 29.6 -24.0 37.6 126 130 A C H X S+ 0 0 27 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.953 111.8 45.9 -54.0 -51.0 31.5 -26.2 35.1 127 131 A D H X S+ 0 0 83 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.872 109.9 54.3 -60.8 -40.9 28.7 -25.6 32.5 128 132 A F H X S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.940 113.2 41.9 -60.3 -47.3 28.6 -21.9 33.2 129 133 A I H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-1.9 0.932 118.1 45.8 -68.6 -44.5 32.3 -21.5 32.6 130 134 A E H <>S+ 0 0 87 -4,-2.8 5,-0.8 -5,-0.2 -2,-0.2 0.932 118.7 41.1 -61.3 -46.8 32.3 -23.8 29.5 131 135 A T H <5S+ 0 0 81 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.876 128.7 24.2 -73.6 -41.8 29.2 -22.2 27.9 132 136 A H H <5S+ 0 0 77 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.620 132.0 21.6-103.9 -15.5 29.9 -18.6 28.6 133 137 A Y T X5S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.3 -3,-0.2 0.760 104.4 61.1-123.9 -46.4 33.7 -18.2 28.9 134 138 A L H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.928 108.6 47.3 -59.4 -42.8 34.9 -16.8 24.0 137 141 A Q H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.929 111.2 49.3 -64.3 -45.0 38.5 -17.0 25.2 138 142 A V H X S+ 0 0 82 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.935 113.8 46.8 -61.1 -43.7 39.6 -19.4 22.4 139 143 A K H X S+ 0 0 106 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.913 113.5 48.4 -63.3 -43.4 37.9 -17.1 19.8 140 144 A A H X S+ 0 0 25 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.929 112.1 48.2 -63.1 -44.4 39.5 -14.0 21.3 141 145 A I H X S+ 0 0 33 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.899 112.8 48.9 -63.0 -42.2 43.0 -15.5 21.4 142 146 A K H X S+ 0 0 127 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.919 111.9 48.5 -64.9 -41.8 42.6 -16.8 17.8 143 147 A E H X S+ 0 0 85 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.938 113.0 47.0 -64.9 -45.1 41.5 -13.4 16.6 144 148 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.893 111.4 51.6 -65.6 -39.4 44.3 -11.5 18.3 145 149 A G H X S+ 0 0 20 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.929 109.1 50.8 -61.0 -43.5 46.9 -14.0 17.0 146 150 A D H X S+ 0 0 66 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 111.3 48.3 -58.7 -43.5 45.6 -13.5 13.5 147 151 A H H X S+ 0 0 20 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.917 111.0 49.9 -63.1 -44.9 45.9 -9.7 14.0 148 152 A V H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.937 110.7 50.7 -57.4 -48.6 49.5 -10.0 15.3 149 153 A T H X S+ 0 0 66 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.935 111.8 46.4 -57.5 -49.3 50.4 -12.2 12.4 150 154 A N H X S+ 0 0 79 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.942 112.7 49.1 -61.2 -45.6 49.0 -9.8 9.8 151 155 A L H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.7 0.929 113.6 46.9 -62.1 -43.1 50.6 -6.7 11.4 152 156 A R H ><5S+ 0 0 139 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.943 113.2 48.4 -61.3 -46.9 54.0 -8.5 11.6 153 157 A K H 3<5S+ 0 0 172 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.0 55.1 -67.2 -27.8 53.8 -9.7 8.0 154 158 A M H 3<5S- 0 0 77 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.631 126.0 -99.6 -78.1 -14.1 52.8 -6.2 6.8 155 159 A G T S+ 0 0 53 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.815 87.8 61.9 -63.1 -32.7 53.5 3.3 10.0 161 165 A L H > S+ 0 0 114 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.899 100.9 52.7 -54.8 -45.6 52.0 2.6 6.5 162 166 A A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 111.0 44.2 -55.5 -53.7 51.3 -1.0 7.7 163 167 A E H X S+ 0 0 16 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.902 113.7 52.3 -64.0 -38.4 49.5 -0.0 10.8 164 168 A Y H X S+ 0 0 125 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.939 112.7 44.0 -58.3 -48.3 47.6 2.7 8.9 165 169 A L H X S+ 0 0 68 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.878 112.7 51.0 -70.3 -35.3 46.4 0.2 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-2.0 0.906 106.6 55.8 -65.9 -41.6 45.5 -2.5 8.8 167 171 A D H <5S+ 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.902 117.5 35.7 -53.5 -43.1 43.5 0.0 10.7 168 172 A K H <5S+ 0 0 77 -4,-1.6 4,-0.4 3,-0.2 -2,-0.2 0.928 125.2 36.0 -77.3 -47.3 41.5 0.7 7.5 169 173 A H H <5S+ 0 0 164 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.690 131.4 21.6 -91.1 -22.3 41.3 -2.7 5.9 170 174 A T T <5S+ 0 0 69 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.755 131.7 33.8-107.3 -46.4 41.0 -5.1 8.9 171 175 A L < 0 0 22 -5,-2.0 -3,-0.2 0, 0.0 -4,-0.1 0.517 360.0 360.0 -92.9 -1.9 39.6 -3.0 11.8 172 176 A G 0 0 79 -4,-0.4 -4,-0.1 -6,-0.3 -3,-0.1 0.044 360.0 360.0 -67.1 360.0 37.5 -0.6 9.7