==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-FEB-12 4DZ0 . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.A.TEZCAN,D.J.E.HUARD . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 77.3 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 . 113 65.7 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 0 177 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 124.6 54.8 23.9 -18.9 2 6 A S > - 0 0 29 71,-0.4 3,-0.5 1,-0.1 72,-0.0 -0.038 360.0-130.6 -58.3 147.6 51.9 21.6 -18.1 3 7 A Q T 3 S+ 0 0 195 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.720 110.2 46.3 -64.7 -21.9 51.3 18.1 -19.7 4 8 A V T 3 S+ 0 0 79 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.565 82.5 120.0-100.1 -12.5 47.7 19.2 -20.5 5 9 A R < + 0 0 69 -3,-0.5 2,-0.3 68,-0.2 68,-0.1 -0.322 29.8 157.1 -64.2 130.4 48.4 22.6 -21.9 6 10 A Q - 0 0 156 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.866 67.3 -13.0-158.9 119.7 47.2 23.1 -25.5 7 11 A N S S+ 0 0 97 -2,-0.3 2,-0.8 1,-0.2 -2,-0.0 0.695 89.8 137.4 63.6 23.6 46.3 26.4 -27.3 8 12 A Y - 0 0 9 64,-0.1 -1,-0.2 4,-0.0 114,-0.0 -0.801 42.5-152.1-110.0 94.1 46.3 28.3 -24.0 9 13 A H >> - 0 0 85 -2,-0.8 4,-2.1 111,-0.1 3,-0.8 -0.301 20.6-124.9 -67.0 142.6 48.0 31.7 -24.3 10 14 A Q H 3> S+ 0 0 152 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.724 111.5 60.0 -61.4 -23.3 49.7 33.2 -21.2 11 15 A D H 3> S+ 0 0 76 2,-0.2 4,-1.8 3,-0.1 -1,-0.3 0.861 106.3 46.1 -68.8 -41.4 47.5 36.4 -21.8 12 16 A S H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.940 110.5 53.5 -64.5 -49.9 44.3 34.3 -21.4 13 17 A E H X S+ 0 0 27 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.929 111.7 44.5 -48.2 -53.9 45.7 32.6 -18.3 14 18 A A H X S+ 0 0 40 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.851 112.0 53.0 -63.1 -36.8 46.5 35.9 -16.7 15 19 A A H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.836 105.3 54.3 -68.0 -33.9 43.1 37.3 -17.7 16 20 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.932 108.2 50.3 -63.9 -44.7 41.3 34.3 -16.1 17 21 A N H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.902 110.3 49.0 -57.5 -42.7 43.1 35.2 -12.9 18 22 A R H X S+ 0 0 162 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.880 112.9 48.4 -65.7 -36.7 42.0 38.8 -13.2 19 23 A Q H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 106.3 56.0 -70.5 -41.7 38.4 37.6 -13.8 20 24 A I H X S+ 0 0 2 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.932 108.0 49.6 -51.1 -49.2 38.5 35.1 -10.8 21 25 A N H X S+ 0 0 35 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.828 109.0 52.1 -61.7 -36.6 39.4 38.1 -8.5 22 26 A L H X S+ 0 0 44 -4,-1.3 4,-3.3 2,-0.2 -1,-0.2 0.894 106.6 51.8 -69.8 -41.9 36.6 40.2 -9.9 23 27 A E H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.927 112.0 48.0 -58.9 -42.9 33.9 37.4 -9.3 24 28 A L H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.882 111.3 50.1 -65.0 -39.0 35.2 37.2 -5.7 25 29 A Y H X S+ 0 0 48 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.940 111.2 48.4 -61.1 -49.4 35.0 41.0 -5.4 26 30 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.937 111.7 50.5 -55.0 -48.3 31.4 40.9 -6.8 27 31 A S H X S+ 0 0 15 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.900 111.5 48.7 -53.1 -44.8 30.7 38.2 -4.3 28 32 A Y H X S+ 0 0 106 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 107.7 52.6 -67.6 -44.4 32.2 40.4 -1.5 29 33 A V H X S+ 0 0 7 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.918 110.9 48.9 -54.3 -46.4 30.2 43.5 -2.5 30 34 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.840 106.7 55.2 -65.8 -34.0 27.0 41.5 -2.3 31 35 A L H X S+ 0 0 66 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.916 108.4 49.4 -63.4 -42.2 28.0 40.0 1.1 32 36 A S H X S+ 0 0 36 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.864 111.9 47.5 -61.4 -43.0 28.3 43.6 2.3 33 37 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.918 109.3 56.2 -64.3 -43.9 24.9 44.6 0.9 34 38 A S H < S+ 0 0 3 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.925 109.8 42.2 -55.4 -54.0 23.4 41.5 2.5 35 39 A E H >< S+ 0 0 115 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.854 106.3 65.5 -65.5 -32.3 24.5 42.3 6.0 36 40 A Y H >< S+ 0 0 18 -4,-1.6 3,-1.7 1,-0.3 7,-0.3 0.913 98.7 51.7 -54.8 -45.5 23.5 45.9 5.6 37 41 A F T 3< S+ 0 0 0 -4,-1.6 7,-2.2 -3,-0.3 -1,-0.3 0.555 101.8 62.2 -74.6 -5.9 19.8 45.1 5.2 38 42 A D T < S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.446 76.1 117.4 -91.3 -5.9 20.0 43.0 8.4 39 43 A R S X> S- 0 0 92 -3,-1.7 4,-2.7 -4,-0.4 3,-2.3 -0.391 75.9-123.8 -60.9 139.9 20.9 46.2 10.5 40 44 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.731 112.6 53.2 -61.6 -23.8 18.3 46.9 13.1 41 45 A D T 34 S+ 0 0 100 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.232 122.2 29.5 -95.0 12.3 17.9 50.5 11.6 42 46 A V T <4 S+ 0 0 32 -3,-2.3 -2,-0.2 -6,-0.1 -5,-0.1 0.506 76.6 172.0-127.1 -62.4 17.3 49.0 8.1 43 47 A A < + 0 0 68 -4,-2.7 2,-0.6 -7,-0.3 -5,-0.2 0.864 14.9 149.3 55.1 51.0 15.7 45.6 8.7 44 48 A L > - 0 0 19 -7,-2.2 4,-1.9 1,-0.1 -1,-0.2 -0.861 21.3-176.7-113.1 92.6 14.7 44.5 5.2 45 49 A K H > S+ 0 0 152 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.813 77.4 47.4 -64.5 -39.0 15.1 40.7 5.5 46 50 A N H > S+ 0 0 35 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.857 108.5 53.7 -75.7 -36.6 14.3 39.8 1.9 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.912 110.9 50.2 -56.2 -42.8 16.7 42.4 0.4 48 52 A A H X S+ 0 0 2 -4,-1.9 4,-2.0 -11,-0.2 -2,-0.2 0.920 111.6 46.0 -61.2 -46.3 19.2 40.7 2.7 49 53 A C H X S+ 0 0 75 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.898 111.4 52.7 -65.8 -42.2 18.4 37.2 1.5 50 54 A Y H X S+ 0 0 30 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.939 113.8 41.7 -56.4 -51.4 18.4 38.3 -2.2 51 55 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -17,-0.2 0.800 111.7 55.7 -72.1 -27.8 21.9 39.9 -1.9 52 56 A H H X S+ 0 0 82 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.905 109.0 48.0 -68.2 -39.3 23.1 36.9 0.2 53 57 A H H X S+ 0 0 120 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.918 109.3 52.7 -64.0 -44.5 22.0 34.7 -2.7 54 58 A Q H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.898 105.4 57.0 -57.1 -41.4 23.8 36.9 -5.2 55 59 A S H X S+ 0 0 6 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.920 108.8 43.6 -54.6 -50.3 26.9 36.6 -3.1 56 60 A H H X S+ 0 0 109 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.816 110.0 57.5 -69.3 -30.3 27.0 32.8 -3.4 57 61 A E H X S+ 0 0 53 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 105.9 49.0 -61.5 -45.9 26.1 33.0 -7.1 58 62 A E H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.829 107.2 56.9 -65.7 -33.1 29.2 35.1 -7.7 59 63 A H H X S+ 0 0 78 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.920 105.6 49.2 -60.1 -46.7 31.2 32.6 -5.7 60 64 A E H X S+ 0 0 88 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.930 107.6 55.2 -59.6 -44.9 30.1 29.8 -8.1 61 65 A H H X S+ 0 0 13 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.823 109.5 47.9 -53.2 -36.5 31.1 32.0 -11.0 62 66 A A H X S+ 0 0 2 -4,-1.4 4,-2.3 -3,-0.2 -2,-0.2 0.917 109.5 52.2 -70.4 -45.3 34.5 32.2 -9.4 63 67 A H H X S+ 0 0 93 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.891 106.7 53.0 -55.2 -44.8 34.7 28.4 -8.9 64 68 A K H X S+ 0 0 60 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 110.6 47.5 -61.4 -42.0 33.9 27.7 -12.5 65 69 A L H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.883 111.1 50.0 -65.9 -41.7 36.7 30.0 -13.6 66 70 A M H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.932 111.0 50.0 -63.2 -44.9 39.2 28.4 -11.2 67 71 A K H X S+ 0 0 133 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.943 110.0 51.2 -53.6 -51.7 38.2 25.0 -12.5 68 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 6,-0.2 0.886 106.2 55.3 -53.3 -45.5 38.7 26.3 -16.1 69 73 A Q H X>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 4,-0.8 0.935 113.8 39.2 -56.4 -50.4 42.2 27.5 -15.2 70 74 A E H <5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.5 57.8 -73.8 -29.8 43.3 24.1 -14.0 71 75 A Q H <5S+ 0 0 116 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 110.3 45.4 -60.9 -36.9 41.5 22.3 -16.7 72 76 A R H <5S- 0 0 27 -4,-2.1 -66,-0.5 -5,-0.2 -2,-0.2 0.616 119.2-108.8 -86.2 -14.1 43.5 24.3 -19.3 73 77 A G T <5S+ 0 0 2 -4,-0.8 -71,-0.4 1,-0.3 -3,-0.2 0.455 73.4 134.8 98.7 3.4 46.9 23.8 -17.5 74 78 A G < - 0 0 0 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.3 -0.237 55.4-115.0 -72.3 169.2 47.2 27.4 -16.3 75 79 A R - 0 0 118 -3,-0.1 2,-0.4 -2,-0.0 -58,-0.1 -0.941 20.4-128.8-113.8 129.6 48.3 28.3 -12.8 76 80 A I - 0 0 39 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.614 23.6-176.8 -73.8 126.6 45.9 30.1 -10.4 77 81 A F - 0 0 140 -2,-0.4 2,-0.3 -63,-0.1 -2,-0.0 -0.965 15.1-153.5-123.8 112.3 47.4 33.2 -8.8 78 82 A L - 0 0 100 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.620 8.3-163.7 -90.2 144.8 45.0 34.7 -6.3 79 83 A Q - 0 0 128 -2,-0.3 3,-0.0 -62,-0.2 -2,-0.0 -0.837 37.3 -71.8-122.1 160.8 45.0 38.3 -5.3 80 84 A D - 0 0 122 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 -0.142 42.3-125.6 -48.2 138.1 43.4 40.2 -2.3 81 85 A I - 0 0 81 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.839 32.8-136.3 -87.5 108.3 39.6 40.5 -2.4 82 86 A Q - 0 0 117 -2,-0.9 -54,-0.1 -61,-0.1 -53,-0.1 -0.416 15.0-114.0 -69.5 139.9 39.2 44.2 -2.1 83 87 A K - 0 0 133 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.310 44.0 -89.3 -63.5 155.8 36.5 45.6 0.3 84 88 A A - 0 0 10 -56,-0.1 -1,-0.1 2,-0.1 -58,-0.0 -0.117 31.6-109.6 -67.6 166.6 33.5 47.4 -1.3 85 89 A D S S+ 0 0 128 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.666 100.9 34.3 -70.4 -19.9 33.4 51.2 -2.0 86 90 A E - 0 0 105 1,-0.1 -2,-0.1 -57,-0.0 3,-0.1 -0.996 50.3-165.6-141.1 144.3 30.8 51.7 0.7 87 91 A D S S+ 0 0 130 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.589 89.5 53.9 -94.9 -18.9 30.1 50.2 4.2 88 92 A D - 0 0 78 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.972 64.6-167.1-125.9 115.4 26.6 51.9 4.2 89 93 A W - 0 0 15 -2,-0.5 2,-2.6 -57,-0.1 9,-0.1 0.420 21.9-147.7 -95.0 2.2 24.3 51.2 1.2 90 94 A E - 0 0 134 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.209 61.3 -5.0 78.4 -50.8 21.8 54.0 2.1 91 95 A S S > S- 0 0 14 -2,-2.6 4,-2.0 1,-0.1 5,-0.2 -0.979 70.6 -97.6-167.0 166.1 18.6 52.4 0.8 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.922 121.7 47.2 -57.7 -49.6 17.1 49.4 -1.1 93 97 A L H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 110.6 52.0 -60.5 -45.1 17.0 51.3 -4.4 94 98 A N H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.877 108.5 50.8 -61.5 -40.4 20.5 52.5 -4.1 95 99 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 111.1 48.5 -62.5 -43.7 21.8 49.0 -3.4 96 100 A M H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.931 112.1 49.4 -59.9 -47.5 20.0 47.8 -6.6 97 101 A E H X S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 112.5 46.9 -59.2 -44.1 21.5 50.7 -8.5 98 102 A A H X S+ 0 0 29 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.862 112.8 50.9 -64.3 -36.0 25.0 49.8 -7.2 99 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.939 109.4 48.6 -67.4 -48.1 24.3 46.2 -8.1 100 104 A L H X S+ 0 0 41 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.928 113.1 49.1 -54.8 -48.2 23.2 47.0 -11.6 101 105 A H H X S+ 0 0 120 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 111.3 49.0 -57.5 -48.6 26.3 49.1 -12.1 102 106 A L H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.898 109.9 51.4 -59.2 -42.8 28.6 46.4 -10.7 103 107 A E H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.873 107.0 52.6 -66.8 -38.0 27.1 43.7 -13.0 104 108 A K H X S+ 0 0 118 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 109.5 50.8 -62.0 -41.6 27.6 45.9 -16.1 105 109 A N H X S+ 0 0 86 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.894 110.8 47.3 -60.9 -44.0 31.3 46.3 -15.1 106 110 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.909 112.5 51.5 -62.3 -42.5 31.7 42.5 -14.6 107 111 A N H X S+ 0 0 28 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.875 107.1 51.8 -60.3 -41.4 30.0 42.1 -18.0 108 112 A Q H X S+ 0 0 113 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.926 110.9 48.3 -63.7 -43.1 32.4 44.6 -19.7 109 113 A S H X S+ 0 0 33 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.905 111.1 50.4 -62.8 -43.3 35.3 42.6 -18.3 110 114 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.865 108.2 52.9 -62.1 -38.5 33.8 39.3 -19.6 111 115 A L H X S+ 0 0 74 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.859 110.1 47.5 -65.7 -36.7 33.3 40.9 -23.0 112 116 A E H X S+ 0 0 123 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.804 108.6 55.5 -72.3 -30.4 36.9 41.9 -23.2 113 117 A L H X S+ 0 0 6 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.902 108.6 47.6 -65.4 -41.1 37.8 38.4 -22.0 114 118 A H H X S+ 0 0 34 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.894 110.1 52.0 -64.7 -42.1 35.8 37.0 -25.0 115 119 A K H X S+ 0 0 126 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.952 108.8 51.1 -58.2 -49.5 37.6 39.4 -27.3 116 120 A L H X S+ 0 0 33 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.874 110.7 48.8 -53.9 -40.2 40.9 38.2 -26.0 117 121 A A H <>S+ 0 0 0 -4,-1.8 5,-3.1 2,-0.2 -1,-0.2 0.872 112.6 46.9 -71.3 -40.6 39.8 34.6 -26.6 118 122 A T H ><5S+ 0 0 76 -4,-2.6 3,-1.8 3,-0.2 -2,-0.2 0.948 112.6 50.4 -59.4 -50.9 38.7 35.4 -30.2 119 123 A D H 3<5S+ 0 0 83 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.817 114.2 44.5 -59.1 -33.4 42.0 37.3 -30.8 120 124 A K T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.282 111.0-121.2 -94.3 9.5 44.0 34.4 -29.5 121 125 A N T < 5 + 0 0 122 -3,-1.8 -3,-0.2 1,-0.2 3,-0.1 0.928 61.2 148.0 41.8 53.9 42.0 31.8 -31.5 122 126 A D >< + 0 0 1 -5,-3.1 4,-1.7 1,-0.1 3,-0.2 -0.833 15.8 171.3-108.4 86.1 41.0 30.0 -28.3 123 127 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.733 73.5 59.8 -74.3 -20.3 37.6 28.7 -29.2 124 128 A H H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.870 109.2 43.7 -68.2 -37.1 37.2 26.5 -26.1 125 129 A L H > S+ 0 0 0 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.835 111.4 54.4 -76.8 -33.7 37.6 29.6 -23.9 126 130 A A H X S+ 0 0 9 -4,-1.7 4,-2.4 2,-0.2 3,-0.2 0.952 111.6 43.5 -63.5 -50.2 35.2 31.7 -26.1 127 131 A D H X S+ 0 0 89 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.866 109.6 58.6 -63.5 -36.6 32.5 29.1 -25.9 128 132 A F H X S+ 0 0 15 -4,-1.6 4,-1.8 2,-0.2 5,-0.2 0.872 109.5 43.7 -58.5 -40.9 33.2 28.8 -22.1 129 133 A I H X>S+ 0 0 0 -4,-1.8 5,-2.2 -3,-0.2 4,-1.9 0.935 116.6 46.0 -71.0 -47.8 32.5 32.5 -21.7 130 134 A E H <>S+ 0 0 84 -4,-2.4 5,-0.9 3,-0.2 -2,-0.2 0.924 117.0 44.6 -55.9 -50.1 29.4 32.4 -23.9 131 135 A T H <5S+ 0 0 74 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.931 126.9 22.7 -67.1 -49.2 28.0 29.3 -22.3 132 136 A H H <5S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.607 133.4 19.3-100.4 -12.3 28.5 30.0 -18.6 133 137 A Y T X5S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.2 -3,-0.2 0.758 103.3 64.2-127.0 -48.1 28.7 33.8 -18.3 134 138 A L H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 109.5 46.8 -60.1 -42.3 23.9 34.9 -17.0 137 141 A Q H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.935 110.7 51.1 -62.0 -47.8 25.1 38.5 -17.1 138 142 A V H X S+ 0 0 82 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.879 112.9 46.6 -58.6 -39.3 22.4 39.6 -19.5 139 143 A K H X S+ 0 0 110 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.908 113.4 48.2 -68.7 -43.5 19.7 38.0 -17.2 140 144 A A H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.935 111.9 48.4 -62.3 -50.7 21.2 39.5 -14.1 141 145 A I H X S+ 0 0 30 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.892 113.2 48.0 -57.3 -45.3 21.5 43.0 -15.5 142 146 A K H X S+ 0 0 126 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.901 112.1 48.8 -65.0 -42.1 17.9 42.8 -16.8 143 147 A E H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.933 113.1 46.6 -64.1 -47.1 16.5 41.6 -13.4 144 148 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.914 111.8 52.7 -60.9 -41.4 18.4 44.3 -11.6 145 149 A G H X S+ 0 0 21 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.933 108.1 50.6 -55.5 -50.0 17.0 46.8 -14.2 146 150 A D H X S+ 0 0 69 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.890 111.0 49.2 -53.7 -44.7 13.5 45.5 -13.5 147 151 A H H X S+ 0 0 21 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.926 109.5 49.7 -64.6 -48.1 14.0 46.0 -9.8 148 152 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.900 111.3 51.6 -57.8 -42.6 15.3 49.5 -10.1 149 153 A T H X S+ 0 0 65 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.963 111.4 45.2 -58.7 -54.4 12.4 50.4 -12.3 150 154 A N H X S+ 0 0 80 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.897 113.5 49.7 -59.8 -42.0 9.8 49.1 -9.9 151 155 A L H X>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 4,-0.7 0.941 111.6 48.7 -61.9 -47.0 11.4 50.7 -6.9 152 156 A R H ><5S+ 0 0 141 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.928 113.5 46.3 -56.8 -49.0 11.6 54.1 -8.6 153 157 A K H 3<5S+ 0 0 174 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.766 105.6 60.3 -66.1 -28.6 7.9 54.0 -9.7 154 158 A M H 3<5S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.647 125.3-100.0 -75.6 -14.1 6.8 52.9 -6.3 155 159 A G T <<5 - 0 0 29 -3,-1.1 4,-0.5 -4,-0.7 3,-0.3 0.571 59.7-169.3 105.9 13.7 8.2 56.2 -4.9 156 160 A A < + 0 0 7 -5,-2.3 -1,-0.3 1,-0.3 4,-0.1 -0.548 57.0 17.4 -77.3 147.6 11.5 55.0 -3.5 157 161 A P S S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -1.000 125.8 50.5 -91.8 -3.6 13.6 56.2 -1.7 158 162 A E S S+ 0 0 171 -3,-0.3 2,-0.5 1,-0.1 -2,-0.2 0.468 106.7 67.3 -71.3 -1.1 11.4 59.0 -0.4 159 163 A S > - 0 0 35 -4,-0.5 4,-1.2 1,-0.1 -1,-0.1 -0.962 56.5-177.7-122.5 110.7 8.8 56.3 0.4 160 164 A G H > S+ 0 0 62 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.737 88.2 61.4 -73.1 -25.6 9.7 53.9 3.2 161 165 A L H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.861 99.9 55.5 -64.5 -39.2 6.4 52.1 2.5 162 166 A A H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.939 108.6 44.5 -60.8 -51.4 7.6 51.4 -1.1 163 167 A E H X S+ 0 0 21 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.892 113.1 53.2 -64.0 -37.9 10.8 49.6 -0.0 164 168 A Y H X S+ 0 0 125 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.943 112.7 42.5 -57.9 -50.6 8.8 47.7 2.6 165 169 A L H X S+ 0 0 67 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.804 112.5 52.6 -70.7 -32.8 6.2 46.4 0.1 166 170 A F H X>S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 5,-1.7 0.875 107.3 53.1 -68.4 -39.3 8.8 45.6 -2.6 167 171 A D H <5S+ 0 0 3 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.895 116.3 40.8 -59.1 -40.9 10.7 43.6 -0.0 168 172 A K H <5S+ 0 0 97 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.914 124.3 31.6 -72.8 -45.3 7.4 41.7 0.7 169 173 A H H <5S+ 0 0 141 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.746 129.3 25.7 -95.9 -31.8 6.0 41.2 -2.8 170 174 A T T <5S+ 0 0 72 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.808 133.2 30.5 -99.2 -43.8 8.9 40.9 -5.2 171 175 A L < 0 0 27 -5,-1.7 -3,-0.2 1,-0.1 -4,-0.1 0.507 360.0 360.0 -95.4 -7.1 11.7 39.6 -3.0 172 176 A G 0 0 94 -6,-0.3 -3,-0.2 -4,-0.1 -4,-0.1 0.941 360.0 360.0 -89.3 360.0 9.5 37.6 -0.6