==== 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 4DYX . 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) . 9811.0 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 . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 0 167 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 134.0 -23.7 19.0 54.4 2 6 A S > - 0 0 24 71,-0.5 3,-0.7 1,-0.1 72,-0.0 -0.279 360.0-127.2 -60.5 144.4 -21.5 17.9 51.5 3 7 A Q T 3 S+ 0 0 195 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.712 111.9 48.1 -61.6 -23.5 -18.1 19.5 51.1 4 8 A V T 3 S+ 0 0 75 69,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.622 83.2 118.5 -92.5 -15.0 -19.1 20.3 47.4 5 9 A R < + 0 0 66 -3,-0.7 2,-0.3 68,-0.2 68,-0.1 -0.307 31.2 154.8 -65.1 127.8 -22.6 21.7 48.2 6 10 A Q - 0 0 159 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.909 66.5 -11.4-156.9 124.3 -23.1 25.3 47.1 7 11 A N S S+ 0 0 98 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.775 90.3 136.7 57.1 32.3 -26.2 27.3 46.2 8 12 A Y - 0 0 11 64,-0.1 -1,-0.2 117,-0.0 2,-0.0 -0.882 44.7-147.3-116.5 101.4 -28.2 24.0 46.1 9 13 A H > - 0 0 73 -2,-0.6 4,-2.2 1,-0.1 3,-0.4 -0.324 18.1-126.6 -70.1 145.0 -31.6 24.3 47.8 10 14 A Q H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.835 112.5 56.7 -57.5 -33.9 -33.1 21.2 49.6 11 15 A D H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 106.7 48.7 -64.1 -39.4 -36.3 21.7 47.5 12 16 A S H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.920 109.4 52.3 -65.8 -45.0 -34.2 21.4 44.3 13 17 A E H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.902 112.2 45.9 -54.7 -45.8 -32.5 18.3 45.7 14 18 A A H X S+ 0 0 41 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.890 111.2 52.0 -65.7 -41.3 -36.0 16.8 46.3 15 19 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.880 108.0 52.3 -63.2 -39.9 -37.2 17.8 42.9 16 20 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.915 107.2 52.0 -62.3 -45.2 -34.2 16.1 41.3 17 21 A N H X S+ 0 0 23 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.901 110.5 48.8 -57.7 -40.9 -35.0 12.9 43.1 18 22 A R H X S+ 0 0 161 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.907 110.9 49.8 -64.9 -42.0 -38.5 13.0 41.9 19 23 A Q H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.872 105.3 57.3 -65.8 -39.1 -37.4 13.7 38.3 20 24 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.942 108.8 47.2 -53.2 -49.2 -34.9 10.7 38.5 21 25 A N H X S+ 0 0 39 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.878 110.3 52.0 -60.8 -40.3 -37.9 8.5 39.3 22 26 A L H X S+ 0 0 41 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.874 108.8 49.9 -66.8 -39.1 -40.0 9.9 36.5 23 27 A E H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.896 111.7 48.5 -65.7 -41.2 -37.2 9.3 33.9 24 28 A L H X S+ 0 0 34 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.886 111.0 51.6 -64.8 -39.2 -36.9 5.7 35.1 25 29 A Y H X S+ 0 0 43 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.931 108.4 50.5 -59.9 -48.2 -40.7 5.3 34.9 26 30 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 108.6 52.8 -57.4 -42.1 -40.6 6.6 31.3 27 31 A S H X S+ 0 0 18 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.874 109.6 49.1 -59.5 -39.4 -37.9 4.1 30.5 28 32 A Y H X S+ 0 0 106 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.889 108.0 53.1 -68.7 -41.6 -40.1 1.3 31.9 29 33 A V H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.938 111.4 46.6 -57.7 -48.4 -43.1 2.4 29.9 30 34 A Y H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.853 110.2 52.6 -65.2 -36.4 -41.1 2.3 26.7 31 35 A L H X S+ 0 0 63 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.921 110.1 49.4 -62.9 -44.2 -39.7 -1.1 27.6 32 36 A S H X S+ 0 0 31 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.930 112.2 47.5 -58.1 -49.0 -43.2 -2.4 28.1 33 37 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.919 107.3 57.5 -58.7 -46.6 -44.3 -0.9 24.7 34 38 A S H X S+ 0 0 8 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.916 109.7 43.1 -50.6 -49.8 -41.2 -2.5 23.0 35 39 A Y H < S+ 0 0 145 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.714 104.5 64.1 -77.6 -18.9 -42.2 -6.0 24.1 36 40 A Y H >< S+ 0 0 21 -4,-1.4 3,-1.3 -3,-0.3 7,-0.3 0.926 104.8 46.9 -62.2 -44.6 -45.9 -5.5 23.3 37 41 A F H 3< S+ 0 0 1 -4,-1.8 7,-1.8 1,-0.3 11,-0.2 0.638 104.1 63.4 -74.5 -11.2 -44.8 -5.1 19.7 38 42 A D T 3< S+ 0 0 105 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.546 79.2 114.5 -83.3 -11.5 -42.6 -8.2 20.1 39 43 A R S X> S- 0 0 93 -3,-1.3 4,-2.5 -4,-0.4 3,-1.7 -0.304 76.3-125.0 -61.4 145.8 -45.8 -10.3 20.7 40 44 A D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.758 112.0 51.9 -63.4 -26.0 -46.6 -13.0 18.1 41 45 A D T 34 S+ 0 0 98 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.241 121.0 31.8 -96.2 10.8 -50.1 -11.5 17.7 42 46 A V T <4 S+ 0 0 32 -3,-1.7 -2,-0.2 -5,-0.1 -5,-0.1 0.555 77.1 174.5-123.8 -62.4 -48.7 -8.0 17.1 43 47 A A < + 0 0 69 -4,-2.5 2,-0.6 -7,-0.3 -5,-0.2 0.845 19.1 144.1 59.8 48.6 -45.4 -8.6 15.4 44 48 A L > + 0 0 17 -7,-1.8 4,-2.2 1,-0.1 3,-0.3 -0.813 21.8 179.9-116.2 88.3 -44.2 -5.1 14.5 45 49 A K H > S+ 0 0 129 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.749 77.0 51.8 -69.0 -27.5 -40.5 -5.4 15.0 46 50 A N H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.816 108.9 50.9 -79.7 -30.7 -39.6 -1.8 14.1 47 51 A F H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.928 111.8 49.9 -59.8 -46.7 -42.1 -0.5 16.5 48 52 A A H X S+ 0 0 11 -4,-2.2 4,-2.0 -11,-0.2 -2,-0.2 0.923 112.9 45.5 -56.9 -47.0 -40.4 -2.8 19.0 49 53 A K H X S+ 0 0 136 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.903 111.1 53.5 -63.3 -43.5 -37.0 -1.4 18.1 50 54 A Y H X S+ 0 0 28 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.937 112.1 42.4 -58.8 -51.2 -38.2 2.2 18.2 51 55 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.855 110.9 56.5 -69.0 -33.3 -39.6 2.0 21.7 52 56 A H H X S+ 0 0 82 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.919 107.5 49.3 -60.0 -44.3 -36.6 -0.0 22.9 53 57 A H H X S+ 0 0 102 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.920 110.3 50.4 -58.4 -45.8 -34.4 2.8 21.7 54 58 A Q H X S+ 0 0 23 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.872 105.8 57.2 -61.4 -37.4 -36.6 5.3 23.6 55 59 A S H X S+ 0 0 5 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.914 109.1 44.3 -59.2 -45.3 -36.3 3.2 26.7 56 60 A H H X S+ 0 0 102 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.808 108.7 57.6 -72.4 -29.2 -32.5 3.5 26.6 57 61 A E H X S+ 0 0 67 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.918 107.6 47.9 -61.3 -43.8 -32.8 7.2 25.9 58 62 A E H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.851 106.2 58.0 -65.4 -36.0 -34.8 7.6 29.1 59 63 A H H X S+ 0 0 82 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.913 106.5 48.2 -59.5 -43.8 -32.2 5.6 31.0 60 64 A E H X S+ 0 0 77 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.877 107.4 56.2 -63.3 -38.7 -29.5 8.1 29.9 61 65 A H H X S+ 0 0 16 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.909 108.9 46.9 -58.7 -41.9 -31.9 10.9 31.1 62 66 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.909 109.2 55.9 -65.8 -42.9 -32.0 9.3 34.5 63 67 A H H X S+ 0 0 92 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.925 105.1 50.1 -52.2 -51.9 -28.2 8.9 34.5 64 68 A K H X S+ 0 0 66 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.835 111.7 49.2 -61.9 -34.0 -27.5 12.6 33.9 65 69 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.879 110.7 48.5 -72.7 -41.0 -29.8 13.5 36.8 66 70 A M H X S+ 0 0 51 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.904 113.0 49.0 -64.1 -41.6 -28.2 11.1 39.2 67 71 A K H X S+ 0 0 132 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.922 110.9 50.9 -59.9 -46.2 -24.8 12.4 38.2 68 72 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.906 105.5 55.8 -58.2 -47.1 -26.1 16.0 38.7 69 73 A Q H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.5 0.937 113.8 40.1 -51.8 -51.2 -27.4 15.1 42.2 70 74 A N H ><5S+ 0 0 87 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.860 110.9 58.3 -67.5 -37.7 -23.9 13.9 43.2 71 75 A Q H 3<5S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.887 110.8 42.8 -56.6 -40.8 -22.2 16.8 41.4 72 76 A R T 3<5S- 0 0 26 -4,-2.3 -66,-0.5 -5,-0.1 -1,-0.2 0.499 118.8-108.6 -88.1 -5.2 -24.1 19.3 43.5 73 77 A G T < 5S+ 0 0 3 -3,-0.7 -71,-0.5 -4,-0.5 -3,-0.2 0.579 73.9 136.9 86.0 10.6 -23.7 17.4 46.8 74 78 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.3 -0.302 54.2-115.7 -75.0 170.4 -27.3 16.3 47.0 75 79 A R - 0 0 123 -3,-0.1 2,-0.4 -2,-0.1 -58,-0.1 -0.957 18.7-126.9-119.9 127.6 -28.2 12.8 48.0 76 80 A I - 0 0 46 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.537 25.1-178.7 -71.9 123.4 -29.9 10.3 45.7 77 81 A F - 0 0 136 -2,-0.4 2,-0.2 -63,-0.1 -2,-0.0 -0.939 14.1-156.2-123.4 107.1 -33.0 8.7 47.2 78 82 A L - 0 0 101 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.475 8.1-166.2 -81.5 151.0 -34.5 6.2 44.8 79 83 A Q - 0 0 132 -62,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 -0.806 38.2 -65.5-126.7 170.6 -38.2 5.2 44.9 80 84 A D - 0 0 122 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 -0.257 43.2-128.6 -52.5 140.2 -40.2 2.4 43.3 81 85 A I - 0 0 77 -57,-0.1 -1,-0.1 -3,-0.0 -59,-0.1 -0.876 32.1-134.2 -91.7 108.2 -40.4 2.4 39.6 82 86 A Q - 0 0 114 -2,-0.9 -54,-0.1 -61,-0.1 3,-0.1 -0.352 17.3-109.8 -66.1 139.7 -44.2 2.1 39.1 83 87 A K - 0 0 130 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.376 46.5 -91.5 -62.3 147.8 -45.4 -0.4 36.5 84 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.157 31.7-111.3 -60.2 160.3 -47.0 1.3 33.4 85 89 A D S S+ 0 0 130 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.662 98.7 43.0 -67.6 -20.1 -50.7 2.1 33.2 86 90 A E - 0 0 88 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.949 47.0-173.2-130.5 149.1 -51.3 -0.6 30.5 87 91 A D S S+ 0 0 120 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.682 90.5 47.1 -99.4 -35.2 -50.1 -4.1 29.8 88 92 A D - 0 0 70 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.949 67.5-165.3-112.6 118.3 -51.7 -4.2 26.4 89 93 A W - 0 0 14 -2,-0.5 2,-2.5 -3,-0.1 6,-0.2 0.334 24.0-143.0 -92.8 7.4 -51.0 -1.1 24.2 90 94 A E - 0 0 129 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.219 61.6 -13.0 74.5 -52.2 -53.7 -1.9 21.7 91 95 A S S > S- 0 0 14 -2,-2.5 4,-2.3 1,-0.1 5,-0.2 -0.977 70.7 -91.7-169.7 167.2 -52.0 -0.7 18.5 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.922 124.8 48.3 -56.3 -47.5 -49.0 1.2 17.0 93 97 A L H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 110.9 49.4 -61.7 -47.0 -51.1 4.4 16.9 94 98 A N H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 110.5 50.7 -60.6 -41.1 -52.3 4.0 20.5 95 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.911 111.1 48.5 -61.8 -43.5 -48.7 3.4 21.7 96 100 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.890 112.4 48.8 -63.3 -41.4 -47.5 6.5 19.9 97 101 A E H X S+ 0 0 59 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.895 112.1 48.4 -63.9 -41.9 -50.4 8.6 21.3 98 102 A A H X S+ 0 0 29 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.874 111.3 50.5 -65.9 -38.8 -49.6 7.2 24.8 99 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.904 108.7 52.0 -64.0 -43.0 -45.9 8.1 24.3 100 104 A L H X S+ 0 0 41 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.936 111.1 47.2 -57.8 -48.7 -46.8 11.6 23.2 101 105 A H H X S+ 0 0 120 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.916 111.7 51.5 -58.8 -46.0 -48.9 12.0 26.4 102 106 A L H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 109.2 49.6 -56.1 -47.3 -46.1 10.6 28.5 103 107 A E H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.843 109.0 51.4 -66.7 -34.5 -43.5 13.1 27.0 104 108 A K H X S+ 0 0 126 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.868 110.9 49.7 -68.6 -36.1 -45.8 16.1 27.6 105 109 A N H X S+ 0 0 85 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.915 112.0 46.7 -65.0 -45.7 -46.1 14.9 31.2 106 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.907 112.3 51.5 -61.5 -42.8 -42.3 14.6 31.6 107 111 A N H X S+ 0 0 27 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 106.7 53.1 -60.6 -44.5 -41.9 18.0 29.9 108 112 A Q H X S+ 0 0 99 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.917 109.1 49.9 -57.0 -45.2 -44.4 19.6 32.4 109 113 A S H X S+ 0 0 31 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.903 111.2 48.6 -59.4 -43.8 -42.4 18.2 35.3 110 114 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.861 109.3 52.0 -67.2 -36.9 -39.1 19.6 33.8 111 115 A L H X S+ 0 0 79 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.875 110.7 48.6 -66.4 -38.3 -40.7 23.0 33.3 112 116 A E H X S+ 0 0 114 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 110.9 50.9 -64.7 -41.0 -41.8 23.0 36.9 113 117 A L H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.899 109.6 50.3 -63.1 -41.7 -38.2 22.0 37.9 114 118 A H H X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 109.1 51.2 -63.0 -42.4 -36.8 24.8 35.8 115 119 A K H X S+ 0 0 120 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.906 109.9 50.2 -60.9 -42.7 -39.2 27.3 37.5 116 120 A L H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 109.7 50.2 -60.8 -45.7 -38.1 26.0 40.9 117 121 A A H <>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 -2,-0.2 0.902 112.9 46.9 -59.0 -43.3 -34.4 26.5 40.0 118 122 A T H ><5S+ 0 0 64 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.928 111.4 51.0 -62.5 -46.9 -35.2 30.0 38.8 119 123 A D H 3<5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.828 112.7 45.9 -61.4 -34.7 -37.1 30.8 42.0 120 124 A K T 3<5S- 0 0 73 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.273 114.8-118.3 -90.9 9.9 -34.2 29.5 44.2 121 125 A N T < 5 + 0 0 128 -3,-1.6 -3,-0.2 1,-0.2 3,-0.1 0.932 62.8 148.6 50.2 54.0 -31.7 31.5 42.0 122 126 A D >< + 0 0 2 -5,-3.0 4,-2.4 1,-0.1 -1,-0.2 -0.782 15.7 170.3-116.6 81.7 -29.9 28.3 40.9 123 127 A P H > S+ 0 0 94 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.785 75.9 58.3 -68.4 -27.5 -28.6 29.2 37.4 124 128 A H H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.948 111.3 41.3 -62.6 -49.3 -26.5 26.1 37.2 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.900 114.0 53.6 -64.1 -42.4 -29.5 23.9 37.7 126 130 A A H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 112.4 43.8 -56.8 -47.7 -31.6 26.1 35.4 127 131 A D H X S+ 0 0 86 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.832 108.5 58.1 -69.9 -33.4 -29.0 25.8 32.6 128 132 A F H X S+ 0 0 19 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.930 109.9 44.5 -58.2 -47.2 -28.6 22.0 33.2 129 133 A I H X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-1.8 0.913 116.5 46.4 -64.1 -44.6 -32.4 21.6 32.6 130 134 A E H <>S+ 0 0 83 -4,-2.1 5,-0.9 3,-0.2 -2,-0.2 0.947 116.8 42.5 -61.5 -51.0 -32.3 23.9 29.5 131 135 A T H <5S+ 0 0 80 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.887 128.5 23.8 -67.4 -43.9 -29.2 22.3 27.9 132 136 A H H <5S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.2 0.597 132.7 21.0-104.2 -13.6 -29.9 18.6 28.5 133 137 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -3,-0.2 0.775 103.4 62.3-125.0 -48.4 -33.7 18.3 28.8 134 138 A L H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 108.8 47.8 -59.8 -41.0 -34.8 17.0 24.0 137 141 A Q H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.947 111.1 49.0 -62.0 -51.7 -38.4 17.1 25.2 138 142 A V H X S+ 0 0 80 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.910 113.1 48.1 -57.5 -44.1 -39.5 19.4 22.4 139 143 A K H X S+ 0 0 107 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.908 113.0 47.4 -62.0 -44.3 -37.7 17.1 19.8 140 144 A A H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.924 112.6 48.9 -64.0 -45.0 -39.3 14.0 21.3 141 145 A I H X S+ 0 0 33 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 112.2 48.5 -61.9 -44.7 -42.8 15.5 21.4 142 146 A K H X S+ 0 0 127 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.918 112.0 49.3 -61.3 -45.9 -42.5 16.8 17.7 143 147 A E H X S+ 0 0 80 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.929 112.9 45.8 -60.5 -48.1 -41.3 13.3 16.5 144 148 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.896 112.0 52.9 -63.7 -40.5 -44.1 11.5 18.3 145 149 A G H X S+ 0 0 19 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.939 109.0 49.5 -55.7 -50.7 -46.6 14.0 16.9 146 150 A D H X S+ 0 0 69 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.905 111.9 48.9 -53.8 -46.2 -45.3 13.4 13.4 147 151 A H H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 110.2 49.9 -63.9 -44.8 -45.7 9.7 13.9 148 152 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.929 110.9 50.9 -57.8 -47.3 -49.2 9.9 15.2 149 153 A T H X S+ 0 0 67 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.937 110.7 47.3 -57.1 -52.6 -50.2 12.1 12.2 150 154 A N H X S+ 0 0 71 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.934 113.2 48.2 -54.8 -50.5 -48.8 9.7 9.7 151 155 A L H X>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.8 0.914 113.8 47.0 -59.8 -45.3 -50.5 6.7 11.3 152 156 A R H ><5S+ 0 0 141 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.945 113.6 47.0 -59.6 -51.8 -53.8 8.5 11.5 153 157 A K H 3<5S+ 0 0 181 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.1 55.8 -63.1 -29.8 -53.7 9.8 7.9 154 158 A M H 3<5S- 0 0 77 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.653 126.8 -97.5 -76.1 -18.0 -52.6 6.3 6.7 155 159 A G T S+ 0 0 54 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.792 87.9 61.4 -66.5 -29.4 -53.4 -3.2 10.0 161 165 A L H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.878 100.5 52.8 -61.2 -42.4 -51.8 -2.5 6.6 162 166 A A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.942 110.8 45.5 -59.1 -50.3 -51.2 1.1 7.6 163 167 A E H X S+ 0 0 17 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.884 113.7 50.6 -63.6 -39.5 -49.4 0.1 10.8 164 168 A Y H X S+ 0 0 121 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.938 112.4 45.6 -60.8 -49.8 -47.4 -2.6 8.9 165 169 A L H X S+ 0 0 65 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.859 112.6 50.4 -65.5 -36.0 -46.3 -0.1 6.2 166 170 A F H X>S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-1.7 0.901 107.9 53.9 -66.7 -42.5 -45.4 2.6 8.7 167 171 A D H <5S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 116.8 38.8 -54.8 -43.2 -43.3 0.0 10.6 168 172 A K H <5S+ 0 0 81 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.882 124.5 34.4 -78.0 -40.2 -41.4 -0.7 7.4 169 173 A H H <5S+ 0 0 145 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.718 130.4 22.3 -96.8 -24.1 -41.1 2.7 5.8 170 174 A T T <5S+ 0 0 67 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.794 130.1 34.8-107.0 -47.2 -40.6 5.1 8.8 171 175 A L < 0 0 26 -5,-1.7 -3,-0.2 1,-0.1 -4,-0.1 0.567 360.0 360.0 -89.0 -9.2 -39.4 3.0 11.7 172 176 A G 0 0 78 -6,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.880 360.0 360.0 -97.7 360.0 -37.2 0.7 9.7