==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JAN-12 3VNX . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ULVA PERTUSA; . AUTHOR T.MASUDA,S.I.MORIMOTO,B.MIKAMI,H.TOYOHARA . 195 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 76.4 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.1 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 1 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 2 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 8 A V 0 0 193 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.9 -8.3 -44.1 -46.9 2 9 A F + 0 0 137 4,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.938 360.0 176.1-114.1 108.6 -8.6 -40.4 -46.4 3 10 A Q >> - 0 0 123 -2,-0.6 4,-2.8 1,-0.2 3,-0.8 -0.862 6.5-173.7-111.0 91.0 -7.0 -38.4 -49.2 4 11 A P H 3> S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.840 81.0 53.4 -53.6 -41.9 -7.8 -34.8 -48.3 5 12 A F H 34 S+ 0 0 164 2,-0.2 4,-0.1 1,-0.2 -2,-0.0 0.745 113.3 41.5 -75.8 -22.3 -6.4 -33.4 -51.6 6 13 A S H X4 S+ 0 0 73 -3,-0.8 3,-1.7 2,-0.1 4,-0.3 0.923 116.2 49.9 -81.3 -48.6 -8.5 -35.7 -53.8 7 14 A E H 3< S+ 0 0 123 -4,-2.8 4,-0.4 1,-0.3 3,-0.3 0.675 107.1 55.1 -60.1 -21.8 -11.6 -35.2 -51.6 8 15 A V T 3X S+ 0 0 60 -4,-1.4 4,-3.4 -5,-0.2 -1,-0.3 0.491 77.7 95.7 -95.4 -2.3 -11.3 -31.4 -51.6 9 16 A Q H <> S+ 0 0 101 -3,-1.7 4,-2.9 2,-0.2 5,-0.3 0.903 83.5 51.6 -56.0 -46.5 -11.2 -31.0 -55.4 10 17 A G H > S+ 0 0 48 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.971 116.4 38.5 -50.6 -61.8 -15.0 -30.4 -55.5 11 18 A E H > S+ 0 0 119 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.870 115.0 56.8 -59.6 -38.4 -14.9 -27.6 -52.9 12 19 A L H X S+ 0 0 74 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.933 108.3 42.8 -64.2 -48.1 -11.6 -26.3 -54.3 13 20 A S H X S+ 0 0 58 -4,-2.9 4,-2.2 2,-0.2 5,-0.3 0.915 113.2 55.0 -66.8 -38.5 -12.8 -25.7 -57.8 14 21 A T H X S+ 0 0 87 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.944 113.8 41.1 -53.0 -50.7 -16.0 -24.2 -56.4 15 22 A V H < S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 114.3 49.9 -65.0 -47.4 -14.0 -21.8 -54.3 16 23 A T H < S+ 0 0 82 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 117.0 41.3 -67.5 -29.4 -11.3 -20.9 -57.0 17 24 A Q H < S+ 0 0 146 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.780 85.2 118.3 -88.2 -28.5 -14.0 -20.2 -59.7 18 25 A A < - 0 0 27 -4,-1.7 2,-0.1 -5,-0.3 6,-0.1 0.007 62.1-127.4 -44.9 136.8 -16.5 -18.3 -57.5 19 26 A P > - 0 0 60 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.465 26.2-107.9 -78.6 160.3 -17.2 -14.7 -58.6 20 27 A V T 3 S+ 0 0 130 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 0.480 116.9 68.6 -71.0 3.7 -16.9 -12.0 -56.0 21 28 A T T 3 S+ 0 0 93 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.549 88.2 77.8 -97.8 -12.9 -20.7 -11.7 -56.1 22 29 A D S < S- 0 0 88 -3,-2.0 2,-0.2 1,-0.0 72,-0.0 -0.759 88.5-112.3 -95.9 143.3 -21.2 -15.1 -54.5 23 30 A S - 0 0 39 -2,-0.3 -2,-0.1 71,-0.2 73,-0.0 -0.526 21.7-157.7 -61.6 137.8 -20.8 -15.9 -50.8 24 31 A Y S S+ 0 0 143 -2,-0.2 -1,-0.1 1,-0.1 -6,-0.1 0.602 85.5 54.5 -90.8 -13.8 -17.8 -18.1 -50.4 25 32 A A S S+ 0 0 63 66,-0.1 69,-0.1 70,-0.1 -1,-0.1 0.804 71.7 117.9 -92.9 -32.5 -19.0 -19.5 -47.1 26 33 A R + 0 0 84 68,-0.1 2,-0.4 65,-0.1 68,-0.2 -0.078 33.4 168.8 -50.9 123.5 -22.5 -20.9 -47.9 27 34 A V - 0 0 84 66,-0.6 3,-0.1 1,-0.0 -1,-0.1 -0.946 67.4 -25.7-141.2 118.0 -22.7 -24.7 -47.3 28 35 A E S S+ 0 0 173 -2,-0.4 2,-0.7 1,-0.2 -1,-0.0 0.882 87.1 148.1 47.0 46.1 -25.9 -26.7 -47.3 29 36 A Y - 0 0 7 64,-0.1 -1,-0.2 121,-0.0 5,-0.0 -0.866 41.5-139.4-115.6 96.1 -27.8 -23.6 -46.3 30 37 A H > - 0 0 76 -2,-0.7 4,-2.9 1,-0.1 5,-0.2 -0.134 10.9-129.3 -65.2 144.1 -31.3 -23.9 -47.8 31 38 A I H > S+ 0 0 116 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 110.6 55.6 -59.0 -35.7 -33.1 -20.9 -49.3 32 39 A E H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 109.8 45.6 -66.0 -42.8 -36.2 -21.6 -47.2 33 40 A C H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.959 112.1 51.4 -60.0 -52.4 -34.0 -21.5 -44.1 34 41 A E H X S+ 0 0 31 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.896 113.7 45.6 -49.7 -44.9 -32.4 -18.3 -45.3 35 42 A A H X S+ 0 0 55 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.860 108.6 54.6 -70.3 -37.9 -35.8 -16.8 -45.9 36 43 A A H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.860 106.7 52.6 -64.2 -34.5 -37.2 -18.0 -42.6 37 44 A I H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.914 108.0 50.3 -67.2 -42.2 -34.4 -16.2 -40.8 38 45 A N H X S+ 0 0 8 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.920 110.1 51.6 -59.8 -40.6 -35.2 -13.0 -42.6 39 46 A E H X S+ 0 0 74 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.954 111.8 45.1 -58.8 -50.1 -38.8 -13.5 -41.6 40 47 A Q H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.875 108.6 57.5 -68.9 -35.0 -37.8 -13.9 -37.9 41 48 A I H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.971 108.0 47.7 -52.2 -50.9 -35.4 -10.9 -38.2 42 49 A N H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.832 109.2 54.1 -62.1 -32.3 -38.5 -8.9 -39.3 43 50 A I H X S+ 0 0 19 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.902 112.3 41.9 -69.2 -41.4 -40.5 -10.3 -36.4 44 51 A E H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.933 114.6 52.3 -70.1 -45.8 -37.9 -9.2 -33.7 45 52 A Y H X S+ 0 0 59 -4,-3.1 4,-1.5 -5,-0.3 -2,-0.2 0.902 111.1 47.0 -58.0 -41.1 -37.4 -5.9 -35.5 46 53 A T H X S+ 0 0 40 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.940 111.8 49.8 -66.1 -45.7 -41.2 -5.2 -35.4 47 54 A I H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.857 107.3 55.3 -62.5 -35.5 -41.5 -6.2 -31.8 48 55 A S H X S+ 0 0 7 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.918 109.3 47.7 -58.2 -42.3 -38.6 -4.0 -30.9 49 56 A Y H X S+ 0 0 114 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.908 111.1 49.9 -69.4 -42.5 -40.5 -1.1 -32.6 50 57 A V H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.924 109.7 51.4 -60.0 -45.8 -43.7 -1.9 -30.7 51 58 A Y H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.868 106.7 54.5 -60.7 -35.1 -41.9 -2.0 -27.4 52 59 A H H X S+ 0 0 79 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.879 106.6 51.4 -66.2 -36.5 -40.4 1.4 -28.3 53 60 A A H X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.919 107.3 52.9 -65.1 -41.1 -44.0 2.7 -28.7 54 61 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.903 106.0 55.5 -59.8 -39.8 -45.0 1.3 -25.3 55 62 A H H X S+ 0 0 42 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.933 106.0 49.2 -57.5 -48.5 -42.0 3.1 -23.9 56 63 A S H X S+ 0 0 59 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.847 107.5 56.6 -64.3 -31.5 -43.2 6.5 -25.3 57 64 A Y H >< S+ 0 0 12 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.972 110.5 41.7 -63.2 -51.0 -46.7 5.8 -23.9 58 65 A F H 3< S+ 0 0 1 -4,-2.2 7,-1.6 1,-0.3 11,-0.2 0.731 106.5 65.1 -72.3 -19.2 -45.4 5.3 -20.3 59 66 A A H 3< S+ 0 0 57 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.670 75.1 114.6 -70.4 -18.7 -43.1 8.3 -20.7 60 67 A R S XX S- 0 0 80 -3,-1.4 4,-2.3 -4,-0.6 3,-2.0 -0.343 74.7-127.9 -60.9 130.9 -46.1 10.7 -21.1 61 68 A D T 34 S+ 0 0 149 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.776 108.0 50.0 -50.2 -33.2 -46.2 13.1 -18.2 62 69 A N T 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.653 109.2 51.2 -86.6 -14.3 -49.8 12.3 -17.4 63 70 A V T <4 S- 0 0 19 -3,-2.0 -2,-0.2 -6,-0.2 -1,-0.2 0.862 84.4-172.9 -82.0 -42.7 -49.1 8.5 -17.4 64 71 A G < + 0 0 47 -4,-2.3 -5,-0.1 1,-0.1 -3,-0.1 0.904 36.2 127.7 54.5 51.4 -46.2 9.0 -15.0 65 72 A L > + 0 0 12 -7,-1.6 4,-2.1 -5,-0.2 3,-0.5 -0.512 19.1 160.9-134.0 65.0 -44.8 5.4 -15.0 66 73 A P H > S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.714 73.0 60.1 -66.7 -23.9 -41.1 6.0 -15.9 67 74 A G H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 107.7 44.3 -64.3 -47.4 -40.2 2.5 -14.5 68 75 A F H > S+ 0 0 0 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.914 112.8 54.2 -61.9 -39.8 -42.5 0.9 -17.1 69 76 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 -11,-0.2 -2,-0.2 0.923 109.7 45.4 -60.1 -44.4 -41.0 3.3 -19.6 70 77 A K H X S+ 0 0 73 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.948 110.2 55.3 -64.6 -47.3 -37.5 2.2 -18.8 71 78 A F H X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.891 110.6 44.9 -50.5 -45.1 -38.5 -1.4 -18.9 72 79 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.863 108.6 54.5 -75.8 -33.2 -39.9 -1.0 -22.4 73 80 A K H X S+ 0 0 74 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.945 112.9 45.1 -60.5 -44.4 -37.0 0.9 -23.8 74 81 A E H X S+ 0 0 70 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.945 111.2 51.0 -64.2 -48.6 -34.7 -1.9 -22.6 75 82 A A H X S+ 0 0 13 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.912 111.1 51.3 -54.5 -39.2 -37.1 -4.6 -24.0 76 83 A S H X S+ 0 0 6 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.947 110.4 46.3 -64.4 -49.2 -36.9 -2.6 -27.3 77 84 A D H X S+ 0 0 76 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.925 114.0 51.1 -52.4 -46.1 -33.1 -2.5 -27.3 78 85 A E H X S+ 0 0 101 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.889 109.2 47.7 -64.3 -42.4 -33.1 -6.2 -26.4 79 86 A E H X S+ 0 0 4 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.867 110.4 52.9 -68.3 -34.8 -35.4 -7.3 -29.3 80 87 A R H X S+ 0 0 141 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.872 108.1 51.2 -67.1 -37.4 -33.4 -5.2 -31.8 81 88 A E H X S+ 0 0 108 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.842 104.8 56.9 -66.5 -34.8 -30.3 -7.0 -30.6 82 89 A H H X S+ 0 0 18 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.935 107.8 47.8 -59.1 -44.8 -32.2 -10.3 -31.2 83 90 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 109.8 53.6 -59.1 -46.0 -32.7 -9.2 -34.8 84 91 A H H X S+ 0 0 107 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.848 106.6 50.5 -57.5 -39.2 -29.0 -8.3 -35.0 85 92 A M H X S+ 0 0 47 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.865 109.7 51.2 -71.0 -32.8 -27.9 -11.7 -33.9 86 93 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.932 110.8 48.4 -67.1 -42.3 -30.2 -13.3 -36.5 87 94 A M H X S+ 0 0 40 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.914 109.4 53.9 -62.1 -42.2 -28.6 -11.1 -39.1 88 95 A D H X S+ 0 0 75 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.926 109.9 45.9 -58.1 -46.5 -25.2 -12.1 -37.8 89 96 A Y H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 6,-0.3 0.915 108.0 59.8 -62.9 -39.6 -26.0 -15.8 -38.2 90 97 A Q H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 4,-0.3 0.944 113.0 34.9 -53.6 -55.2 -27.5 -15.1 -41.7 91 98 A T H ><5S+ 0 0 87 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.759 111.4 64.3 -75.6 -23.5 -24.2 -13.7 -43.1 92 99 A K H 3<5S+ 0 0 133 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.917 107.6 41.7 -58.2 -42.9 -22.3 -16.1 -41.0 93 100 A R T 3<5S- 0 0 37 -4,-2.3 -66,-0.6 -3,-0.2 -1,-0.2 0.429 123.7-100.9 -90.0 1.6 -23.8 -19.0 -43.0 94 101 A G T < 5S+ 0 0 6 -3,-0.5 -71,-0.2 1,-0.3 -3,-0.2 0.316 82.0 130.2 95.6 -7.5 -23.5 -17.3 -46.4 95 102 A G < - 0 0 2 -5,-1.8 2,-0.4 -6,-0.3 -1,-0.3 -0.230 56.3-119.2 -69.4 167.4 -27.2 -16.2 -46.5 96 103 A R - 0 0 141 -3,-0.1 2,-0.3 -73,-0.0 -58,-0.1 -0.945 18.3-123.8-117.0 133.1 -28.2 -12.6 -47.2 97 104 A V - 0 0 50 -2,-0.4 2,-0.5 -10,-0.1 -62,-0.1 -0.509 22.1-169.4 -70.8 128.3 -30.1 -10.3 -44.9 98 105 A E - 0 0 113 -2,-0.3 2,-0.5 -63,-0.1 -56,-0.2 -0.975 8.9-154.3-116.3 120.1 -33.3 -8.9 -46.3 99 106 A L - 0 0 99 -2,-0.5 -60,-0.1 -58,-0.1 -61,-0.0 -0.792 14.8-157.9 -94.3 132.7 -34.8 -6.1 -44.2 100 107 A K - 0 0 68 -2,-0.5 2,-0.0 -62,-0.2 -1,-0.0 -0.442 27.4 -75.5-106.7 171.9 -38.6 -5.7 -44.6 101 108 A P - 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.339 37.8-140.2 -66.3 150.4 -41.0 -2.9 -43.9 102 109 A L - 0 0 62 -57,-0.0 2,-0.1 -56,-0.0 -60,-0.0 -0.967 15.5-137.7-111.5 121.5 -42.1 -2.1 -40.4 103 110 A A - 0 0 85 -2,-0.5 -54,-0.0 1,-0.1 0, 0.0 -0.423 33.3 -92.5 -69.7 149.6 -45.7 -1.2 -39.8 104 111 A A - 0 0 93 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.464 46.9-134.1 -59.4 128.4 -46.6 1.7 -37.6 105 112 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.400 26.4 -90.6 -81.1 162.6 -47.2 0.3 -34.1 106 113 A E - 0 0 141 1,-0.1 3,-0.0 -2,-0.1 -53,-0.0 -0.493 35.2-169.4 -68.9 144.1 -50.1 1.3 -31.9 107 114 A M + 0 0 82 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.562 59.6 78.2-110.0 -13.7 -49.4 4.3 -29.6 108 115 A E + 0 0 113 1,-0.1 -54,-0.1 2,-0.0 -1,-0.0 -0.846 39.3 162.0-110.4 131.8 -52.3 4.3 -27.3 109 116 A F + 0 0 3 -2,-0.4 11,-0.2 -55,-0.1 10,-0.1 0.265 23.9 135.2-137.7 13.5 -52.6 1.9 -24.3 110 117 A A + 0 0 69 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0 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.873 113.0 48.9 -53.5 -40.3 -49.6 -3.4 -21.5 121 128 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.866 111.3 49.1 -72.6 -32.9 -48.1 -6.3 -19.5 122 129 A E H X S+ 0 0 31 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.889 112.4 48.8 -68.7 -37.7 -50.8 -8.6 -20.8 123 130 A L H X S+ 0 0 40 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.956 112.8 48.0 -62.7 -50.4 -50.1 -7.3 -24.3 124 131 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.925 111.7 48.6 -55.9 -51.5 -46.4 -7.9 -23.8 125 132 A L H X S+ 0 0 26 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.946 111.6 50.5 -52.7 -50.4 -46.9 -11.4 -22.5 126 133 A S H X S+ 0 0 70 -4,-2.3 4,-2.6 1,-0.3 -2,-0.2 0.896 110.7 49.2 -57.3 -44.0 -49.2 -12.2 -25.4 127 134 A L H X S+ 0 0 35 -4,-2.7 4,-2.6 2,-0.2 -1,-0.3 0.880 111.0 50.1 -62.1 -39.1 -46.5 -10.9 -27.8 128 135 A E H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.918 110.5 48.3 -69.6 -43.0 -43.9 -13.0 -26.1 129 136 A K H X S+ 0 0 114 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.938 111.5 51.8 -58.9 -46.4 -46.0 -16.2 -26.3 130 137 A L H X S+ 0 0 82 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.945 110.2 47.9 -53.0 -50.9 -46.6 -15.4 -30.0 131 138 A N H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.816 104.4 60.4 -66.2 -28.1 -42.9 -15.0 -30.6 132 139 A F H X S+ 0 0 53 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.936 108.9 43.9 -60.2 -44.9 -42.2 -18.3 -28.7 133 140 A Q H X S+ 0 0 112 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.931 111.2 53.2 -67.9 -43.1 -44.4 -20.0 -31.4 134 141 A K H X S+ 0 0 86 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.949 110.7 48.2 -53.5 -46.9 -42.7 -18.0 -34.2 135 142 A L H X S+ 0 0 1 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.929 109.5 52.7 -61.4 -43.0 -39.4 -19.2 -32.8 136 143 A Q H X S+ 0 0 87 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.930 109.7 48.6 -55.8 -48.0 -40.8 -22.8 -32.7 137 144 A A H X S+ 0 0 54 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.877 107.1 57.3 -56.9 -40.0 -41.8 -22.5 -36.3 138 145 A L H X S+ 0 0 7 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.913 108.7 44.3 -63.4 -40.0 -38.4 -21.2 -37.2 139 146 A Q H X S+ 0 0 44 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.856 106.2 62.6 -73.7 -29.0 -36.7 -24.2 -35.8 140 147 A A H X S+ 0 0 48 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.934 105.8 45.3 -58.2 -47.1 -39.3 -26.5 -37.5 141 148 A I H X S+ 0 0 41 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.951 112.7 50.7 -61.1 -49.5 -38.1 -25.2 -40.9 142 149 A A H <>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 -2,-0.2 0.903 113.8 45.8 -49.5 -46.8 -34.5 -25.7 -39.8 143 150 A D H ><5S+ 0 0 73 -4,-3.4 3,-2.0 3,-0.2 -2,-0.2 0.919 106.3 59.6 -64.8 -46.0 -35.4 -29.2 -38.7 144 151 A K H 3<5S+ 0 0 125 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.916 110.2 41.4 -46.4 -51.3 -37.3 -29.9 -41.9 145 152 A H T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.297 112.5-121.0 -89.4 12.2 -34.2 -29.3 -44.1 146 153 A K T < 5 + 0 0 153 -3,-2.0 2,-1.0 1,-0.2 -3,-0.2 0.880 55.4 155.9 56.1 43.6 -32.0 -31.1 -41.6 147 154 A D >< + 0 0 14 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.772 14.6 177.8-100.3 86.7 -29.7 -28.2 -40.9 148 155 A A H > S+ 0 0 77 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.846 75.8 57.8 -64.3 -33.2 -28.5 -29.3 -37.4 149 156 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 109.4 43.8 -60.2 -48.4 -26.1 -26.3 -37.1 150 157 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.881 112.3 53.7 -66.7 -37.2 -29.0 -23.8 -37.5 151 158 A C H X S+ 0 0 11 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.966 109.7 47.0 -58.8 -52.3 -31.2 -25.9 -35.2 152 159 A D H X S+ 0 0 113 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.908 112.9 50.8 -55.4 -44.5 -28.6 -25.8 -32.5 153 160 A F H X S+ 0 0 35 -4,-2.2 4,-0.9 -5,-0.2 5,-0.3 0.915 114.8 42.0 -59.5 -46.1 -28.2 -22.1 -33.1 154 161 A V H <>S+ 0 0 2 -4,-2.8 5,-2.6 2,-0.2 6,-0.3 0.894 118.9 41.9 -71.6 -41.2 -31.9 -21.4 -32.8 155 162 A E H <>S+ 0 0 79 -4,-3.1 5,-1.4 -5,-0.2 -2,-0.2 0.881 116.0 45.7 -82.0 -35.3 -32.7 -23.6 -29.9 156 163 A G H <5S+ 0 0 54 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.718 124.9 32.1 -77.0 -20.6 -29.8 -22.8 -27.7 157 164 A G T X5S+ 0 0 11 -4,-0.9 4,-2.3 -5,-0.3 5,-0.2 0.582 130.1 3.8-100.7-109.2 -30.1 -19.1 -28.3 158 165 A L H >5S+ 0 0 5 -5,-0.3 4,-2.7 1,-0.2 5,-0.2 0.831 127.2 54.5 -49.7 -45.6 -33.4 -17.3 -28.9 159 166 A L H >S- 0 0 72 -4,-2.6 5,-0.5 1,-0.1 -1,-0.2 0.671 95.2-157.0 -88.9 -18.2 -52.0 -5.7 -6.3 180 187 A G T <> - 0 0 33 -4,-2.0 5,-0.5 -5,-0.3 -1,-0.1 0.074 35.8 -29.2 67.5-179.4 -54.6 -3.9 -8.5 181 188 A K T > 5S+ 0 0 125 3,-0.2 3,-0.6 2,-0.1 2,-0.6 -0.122 107.8 19.6 -67.6 162.0 -54.6 -0.3 -9.6 182 189 A G T 3>5S+ 0 0 51 1,-0.3 4,-2.4 2,-0.1 3,-0.3 -0.703 127.5 18.6 91.3-119.3 -53.1 2.6 -7.8 183 190 A V H 3>5S+ 0 0 105 -2,-0.6 4,-2.8 1,-0.2 -1,-0.3 0.911 124.6 57.1 -55.4 -46.0 -50.5 1.9 -5.2 184 191 A G H <>