==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 07-MAR-12 4AM2 . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BLASTOCHLORIS VIRIDIS; . AUTHOR W.Y.WAHLGREN,H.OMRAN,D.VON STETTEN,A.ROYANT,S.VAN DER POST,G . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 84.9 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 . 2 0.6 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 4 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 . 1 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 1 A M 0 0 119 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.0 -22.1 4.2 62.2 2 2 A K - 0 0 152 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.541 360.0-159.3 -75.2 123.4 -18.8 6.2 62.7 3 3 A G - 0 0 17 62,-2.1 2,-0.3 -2,-0.6 -1,-0.0 -0.282 30.3 -80.8 -90.1 167.6 -16.0 3.9 63.4 4 4 A D > - 0 0 55 1,-0.1 4,-2.6 -2,-0.1 3,-0.2 -0.570 37.6-136.8 -65.4 127.4 -12.6 4.4 65.0 5 5 A Q H > S+ 0 0 131 -2,-0.3 4,-2.1 1,-0.3 -1,-0.1 0.881 103.9 48.1 -56.0 -43.2 -10.2 5.9 62.4 6 6 A K H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.838 109.1 52.7 -69.0 -33.9 -7.3 3.6 63.4 7 7 A V H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.946 109.6 51.3 -67.0 -35.8 -9.6 0.5 63.3 8 8 A I H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.919 107.6 51.7 -67.7 -39.5 -10.6 1.5 59.8 9 9 A E H X S+ 0 0 96 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.927 109.9 49.1 -61.3 -44.9 -6.9 1.9 58.8 10 10 A Y H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 110.7 50.5 -57.4 -43.1 -6.2 -1.7 60.1 11 11 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.902 111.0 49.4 -64.0 -40.5 -9.3 -3.0 58.1 12 12 A N H X S+ 0 0 30 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.891 109.6 50.7 -65.8 -37.2 -7.9 -1.3 55.0 13 13 A R H X S+ 0 0 82 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.928 111.6 49.0 -62.5 -37.9 -4.5 -2.8 55.6 14 14 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.901 107.7 54.5 -66.3 -42.2 -6.2 -6.2 55.9 15 15 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.934 109.2 47.9 -57.2 -49.0 -8.2 -5.5 52.6 16 16 A R H X S+ 0 0 68 -4,-2.2 4,-1.9 2,-0.2 59,-0.6 0.894 110.4 51.6 -57.1 -40.8 -4.9 -4.9 50.8 17 17 A S H X S+ 0 0 15 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.934 112.8 45.4 -66.0 -42.0 -3.4 -8.1 52.3 18 18 A E H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.877 111.0 51.7 -69.0 -44.6 -6.4 -10.1 51.1 19 19 A L H X S+ 0 0 22 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.869 110.3 50.0 -61.2 -36.0 -6.5 -8.6 47.7 20 20 A T H X S+ 0 0 7 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.928 112.2 47.6 -60.1 -49.7 -2.8 -9.5 47.4 21 21 A A H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.863 107.9 56.3 -63.8 -36.3 -3.5 -13.1 48.5 22 22 A V H X S+ 0 0 21 -4,-2.8 4,-2.2 29,-0.2 -1,-0.2 0.949 114.2 37.6 -58.6 -53.0 -6.4 -13.4 46.1 23 23 A S H X S+ 0 0 14 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.863 116.7 52.0 -65.5 -39.7 -4.2 -12.5 43.0 24 24 A Q H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.936 114.2 42.4 -62.9 -47.6 -1.1 -14.4 44.3 25 25 A Y H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.883 115.5 50.4 -65.1 -38.8 -3.2 -17.6 44.9 26 26 A W H X S+ 0 0 31 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.929 111.9 46.0 -70.0 -46.6 -5.0 -17.2 41.5 27 27 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.928 114.4 49.4 -59.7 -39.4 -1.8 -16.6 39.5 28 28 A H H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.898 108.4 54.4 -65.7 -40.8 -0.3 -19.7 41.4 29 29 A Y H X S+ 0 0 17 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.955 111.4 43.7 -52.9 -52.2 -3.3 -21.7 40.6 30 30 A R H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.820 113.3 51.2 -72.5 -26.9 -3.0 -20.9 36.9 31 31 A M H X S+ 0 0 19 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.913 109.5 50.2 -67.5 -42.1 0.8 -21.6 37.0 32 32 A L H X>S+ 0 0 1 -4,-2.9 5,-2.2 2,-0.2 4,-0.7 0.873 111.7 48.7 -62.0 -41.5 0.3 -24.9 38.6 33 33 A E H ><5S+ 0 0 51 -4,-2.2 3,-1.2 2,-0.2 -2,-0.2 0.945 109.7 51.8 -62.3 -46.5 -2.3 -25.8 35.9 34 34 A D H 3<5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.870 110.1 49.5 -57.9 -37.5 0.1 -24.6 33.2 35 35 A W H 3<5S- 0 0 90 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.621 120.5-110.8 -76.4 -14.9 2.8 -27.0 34.7 36 36 A G T <<5S+ 0 0 28 -3,-1.2 2,-1.7 -4,-0.7 -3,-0.2 0.448 76.6 130.9 100.0 8.2 0.3 -29.9 34.8 37 37 A Y >< + 0 0 63 -5,-2.2 4,-2.9 1,-0.2 3,-0.3 -0.519 26.9 169.8 -90.6 77.7 -0.2 -30.3 38.6 38 38 A K H > + 0 0 43 116,-1.8 4,-2.4 -2,-1.7 117,-0.2 0.801 69.9 51.1 -65.1 -33.5 -4.0 -30.3 38.3 39 39 A D H > S+ 0 0 55 114,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.889 113.1 44.7 -71.8 -34.7 -4.7 -31.4 41.9 40 40 A L H > S+ 0 0 5 113,-1.1 4,-2.3 -3,-0.3 5,-0.2 0.921 111.2 54.6 -74.1 -35.9 -2.5 -28.7 43.3 41 41 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.941 106.9 52.3 -60.5 -44.3 -4.1 -26.2 40.8 42 42 A K H X S+ 0 0 135 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.912 110.9 47.3 -56.2 -44.5 -7.7 -27.2 42.2 43 43 A K H X S+ 0 0 79 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.931 111.5 49.0 -65.2 -43.7 -6.6 -26.5 45.7 44 44 A W H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.865 109.0 53.0 -65.3 -40.2 -5.0 -23.1 44.9 45 45 A R H X S+ 0 0 108 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.937 111.1 48.4 -58.7 -44.3 -8.2 -22.0 43.0 46 46 A A H X S+ 0 0 43 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.926 110.5 49.6 -63.3 -44.0 -10.2 -22.9 46.1 47 47 A E H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.913 109.5 52.6 -60.8 -42.8 -7.8 -21.0 48.4 48 48 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.907 108.7 49.3 -59.6 -44.2 -8.0 -17.9 46.2 49 49 A I H X S+ 0 0 72 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.881 107.7 55.1 -67.5 -34.0 -11.8 -17.9 46.3 50 50 A E H X S+ 0 0 91 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.893 108.4 48.6 -57.3 -43.7 -11.6 -18.3 50.1 51 51 A E H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.797 104.1 60.9 -69.1 -30.2 -9.4 -15.1 50.2 52 52 A M H X S+ 0 0 56 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.900 104.0 49.0 -60.9 -43.5 -12.0 -13.4 47.9 53 53 A A H X S+ 0 0 51 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.855 109.3 52.5 -63.8 -37.5 -14.6 -13.9 50.6 54 54 A H H X S+ 0 0 12 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.904 108.6 50.7 -60.2 -43.0 -12.2 -12.4 53.2 55 55 A A H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 109.8 50.6 -63.5 -44.1 -11.6 -9.3 51.0 56 56 A D H X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.916 105.3 55.6 -65.1 -40.9 -15.3 -8.9 50.7 57 57 A K H X S+ 0 0 73 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.919 109.6 48.1 -55.5 -40.8 -15.8 -9.1 54.6 58 58 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.927 109.7 50.8 -68.3 -44.2 -13.3 -6.2 55.0 59 59 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.937 112.0 49.1 -56.3 -44.5 -15.0 -4.0 52.3 60 60 A E H X S+ 0 0 97 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 112.6 45.8 -61.8 -44.6 -18.4 -4.6 54.0 61 61 A R H X S+ 0 0 39 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.914 109.9 53.6 -71.1 -39.6 -17.0 -3.7 57.5 62 62 A I H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 -1,-0.2 0.932 110.7 47.6 -57.4 -46.1 -15.1 -0.6 56.3 63 63 A L H ><5S+ 0 0 17 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.909 108.3 53.6 -63.7 -40.8 -18.3 0.8 54.7 64 64 A F H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.890 108.3 51.2 -57.6 -38.5 -20.5 0.1 57.8 65 65 A L T 3<5S- 0 0 1 -4,-2.1 -62,-2.1 -5,-0.1 -1,-0.3 0.386 121.0-112.5 -85.5 11.2 -17.9 2.1 59.8 66 66 A E T < 5S+ 0 0 104 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.741 73.5 136.0 61.7 29.6 -18.2 5.0 57.2 67 67 A G < - 0 0 8 -5,-2.8 -1,-0.2 -6,-0.2 -62,-0.0 -0.377 60.9-111.7 -90.9 171.1 -14.6 4.5 55.9 68 68 A L - 0 0 146 -2,-0.1 2,-0.1 -3,-0.1 -5,-0.1 -0.907 28.0-137.3-106.9 107.8 -13.5 4.4 52.3 69 69 A P - 0 0 7 0, 0.0 2,-0.7 0, 0.0 -10,-0.1 -0.415 14.8-147.9 -65.2 135.1 -12.4 0.9 51.3 70 70 A N + 0 0 70 1,-0.1 3,-0.2 -2,-0.1 -2,-0.0 -0.896 31.8 159.9-108.1 105.3 -9.1 1.2 49.2 71 71 A L + 0 0 5 -2,-0.7 -1,-0.1 1,-0.1 112,-0.1 0.251 48.0 102.9 -99.9 14.1 -8.9 -1.5 46.6 72 72 A Q S S+ 0 0 51 111,-0.1 162,-0.6 161,-0.0 2,-0.3 0.830 78.6 31.3 -70.5 -34.7 -6.3 0.5 44.5 73 73 A T B -A 233 0A 67 -3,-0.2 2,-0.3 160,-0.1 -54,-0.1 -0.875 58.3-150.9-134.1 155.8 -3.1 -1.3 45.4 74 74 A L - 0 0 20 158,-0.6 -57,-0.1 -2,-0.3 3,-0.1 -0.851 30.7-106.9-113.3 160.3 -1.7 -4.6 46.4 75 75 A D - 0 0 46 -59,-0.6 2,-0.1 -2,-0.3 -1,-0.1 -0.315 66.2 -67.6 -73.3 168.1 1.4 -5.5 48.5 76 76 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.378 56.3-125.5 -68.4 134.0 4.3 -6.9 46.4 77 77 A L - 0 0 24 -2,-0.1 2,-0.6 -3,-0.1 -56,-0.1 -0.494 11.0-147.9 -73.1 147.5 3.5 -10.2 44.9 78 78 A R - 0 0 80 -2,-0.2 2,-0.7 11,-0.1 15,-0.1 -0.954 17.1-169.4-115.5 112.9 5.8 -13.2 45.4 79 79 A I - 0 0 84 -2,-0.6 7,-0.1 10,-0.1 -55,-0.0 -0.821 10.5-144.5-108.1 113.6 5.7 -15.3 42.3 80 80 A G - 0 0 1 -2,-0.7 3,-0.1 1,-0.1 6,-0.0 -0.440 10.8-159.4 -75.8 158.2 7.3 -18.8 42.5 81 81 A Q S S+ 0 0 164 1,-0.0 2,-0.3 -2,-0.0 -1,-0.1 0.388 81.2 32.8-104.8 0.2 9.2 -20.5 39.5 82 82 A T S > S- 0 0 56 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.924 92.4-103.0-142.3 166.0 8.9 -24.1 41.0 83 83 A V H > S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.889 123.1 53.1 -58.6 -41.6 6.3 -25.8 43.0 84 84 A K H > S+ 0 0 88 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.909 108.7 47.5 -62.1 -42.0 8.5 -25.4 46.0 85 85 A E H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.843 109.1 54.8 -69.7 -32.8 8.9 -21.6 45.5 86 86 A V H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.950 110.5 46.3 -58.2 -51.9 5.1 -21.3 45.1 87 87 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.932 115.8 45.1 -54.2 -52.3 4.7 -23.1 48.5 88 88 A E H X S+ 0 0 91 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.852 111.3 53.1 -61.0 -37.3 7.3 -20.8 50.1 89 89 A S H X S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.890 112.3 44.4 -63.8 -47.1 5.9 -17.6 48.5 90 90 A D H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.877 111.5 52.6 -68.1 -34.8 2.4 -18.3 49.8 91 91 A L H X S+ 0 0 17 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.918 107.6 51.4 -69.2 -40.7 3.6 -19.3 53.2 92 92 A A H X S+ 0 0 35 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.928 112.5 47.5 -58.9 -41.9 5.6 -16.0 53.6 93 93 A A H X S+ 0 0 19 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.912 110.6 50.4 -70.6 -39.4 2.5 -14.0 52.6 94 94 A E H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.900 106.8 54.5 -67.5 -35.8 0.3 -15.9 55.1 95 95 A R H X S+ 0 0 122 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.896 110.5 46.4 -62.4 -39.0 2.7 -15.4 57.9 96 96 A E H X S+ 0 0 101 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.932 113.0 50.0 -69.8 -40.4 2.5 -11.5 57.3 97 97 A A H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.917 108.9 51.8 -63.7 -40.5 -1.3 -11.6 57.0 98 98 A R H X S+ 0 0 76 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.918 111.0 47.7 -63.3 -45.3 -1.6 -13.6 60.3 99 99 A A H X S+ 0 0 43 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.869 110.1 52.6 -64.3 -38.7 0.6 -11.0 62.1 100 100 A L H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.933 110.7 46.2 -61.8 -44.3 -1.4 -8.1 60.7 101 101 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.874 109.0 55.6 -69.9 -30.7 -4.7 -9.6 61.9 102 102 A Q H X S+ 0 0 93 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.926 112.4 43.3 -60.6 -46.7 -3.2 -10.3 65.3 103 103 A E H X S+ 0 0 91 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.905 113.8 49.9 -63.7 -45.9 -2.3 -6.7 65.6 104 104 A G H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.880 110.9 49.6 -62.1 -40.4 -5.6 -5.5 64.2 105 105 A A H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.935 112.0 48.8 -66.6 -40.8 -7.6 -7.7 66.7 106 106 A A H X S+ 0 0 64 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.905 114.2 45.8 -68.9 -38.2 -5.5 -6.4 69.6 107 107 A Y H X S+ 0 0 53 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.955 111.8 49.5 -68.0 -46.1 -6.1 -2.8 68.6 108 108 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-1.0 0.906 110.8 51.9 -58.0 -40.6 -9.8 -3.2 67.9 109 109 A A H ><5S+ 0 0 38 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.889 103.5 58.2 -61.6 -39.7 -10.1 -4.9 71.4 110 110 A S H 3<5S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.654 111.8 40.7 -72.1 -16.6 -8.3 -1.9 73.1 111 111 A V T <<5S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.231 116.9-110.8-109.3 8.6 -10.9 0.6 71.7 112 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2,-0.3 0.825 78.8 35.1 -71.3 -34.6 0.5 -6.4 40.6 233 73 B T B -A 73 0A 67 -3,-0.2 2,-0.3 -160,-0.1 -54,-0.1 -0.902 59.3-151.6-134.0 152.2 -1.3 -3.1 39.6 234 74 B L - 0 0 20 -162,-0.6 -57,-0.1 -2,-0.3 3,-0.1 -0.823 30.3-108.8-110.9 157.4 -4.7 -1.6 38.7 235 75 B D - 0 0 47 -59,-0.6 2,-0.2 -2,-0.3 -1,-0.1 -0.281 65.4 -68.9 -70.7 167.3 -5.6 1.3 36.5 236 76 B P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.428 56.2-127.1 -66.6 137.0 -6.9 4.2 38.6 237 77 B L - 0 0 24 -2,-0.2 2,-0.6 -3,-0.1 -56,-0.1 -0.502 9.8-147.2 -80.0 149.4 -10.2 3.5 40.2 238 78 B R - 0 0 83 -2,-0.2 2,-0.6 11,-0.1 15,-0.1 -0.972 17.7-166.6-115.2 116.1 -13.2 5.8 39.8 239 79 B I - 0 0 80 -2,-0.6 7,-0.1 10,-0.1 -55,-0.0 -0.835 9.3-142.1-108.5 116.3 -15.3 5.7 42.9 240 80 B G - 0 0 1 -2,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.167 13.6-163.7 -68.6 172.1 -18.8 7.2 42.8 241 81 B Q S S+ 0 0 159 1,-0.2 2,-0.3 -50,-0.0 -1,-0.1 0.315 80.7 31.0-121.5 5.8 -20.5 9.2 45.6 242 82 B T S > S- 0 0 57 1,-0.1 4,-2.4 0, 0.0 -1,-0.2 -0.925 91.0-103.4-144.7 166.1 -24.0 8.9 44.2 243 83 B V H > S+ 0 0 8 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.887 122.6 53.0 -60.4 -40.4 -25.8 6.3 42.1 244 84 B K H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 109.5 47.4 -62.1 -42.0 -25.4 8.6 39.0 245 85 B E H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.839 108.7 55.5 -69.2 -33.9 -21.6 8.9 39.6 246 86 B V H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.959 110.7 45.2 -59.0 -50.3 -21.4 5.1 40.1 247 87 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 115.1 47.2 -56.6 -49.2 -23.0 4.6 36.6 248 88 B E H X S+ 0 0 93 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.864 110.9 51.6 -65.6 -37.0 -20.8 7.3 35.0 249 89 B S H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.907 112.5 45.2 -62.7 -48.8 -17.5 5.9 36.5 250 90 B D H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.879 112.0 52.7 -65.4 -37.1 -18.2 2.4 35.3 251 91 B L H X S+ 0 0 15 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.926 107.8 50.5 -62.7 -45.3 -19.2 3.6 31.9 252 92 B A H X S+ 0 0 37 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.921 113.0 47.0 -60.7 -40.7 -16.0 5.6 31.5 253 93 B A H X S+ 0 0 18 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.877 110.7 51.0 -69.3 -40.2 -14.0 2.5 32.4 254 94 B E H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.894 106.5 54.8 -65.6 -35.8 -15.9 0.3 30.1 255 95 B R H X S+ 0 0 123 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.922 110.1 47.1 -60.4 -39.7 -15.4 2.7 27.2 256 96 B E H X S+ 0 0 101 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.930 111.7 50.8 -70.5 -40.2 -11.6 2.5 27.8 257 97 B A H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.911 108.8 50.8 -63.1 -43.0 -11.6 -1.3 28.0 258 98 B R H X S+ 0 0 76 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.947 110.6 49.9 -58.8 -42.6 -13.6 -1.6 24.8 259 99 B A H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.889 110.2 50.5 -66.5 -40.2 -11.0 0.6 23.0 260 100 B L H X S+ 0 0 22 -4,-2.2 4,-2.6 2,-0.2 -1,-0.3 0.897 111.0 47.9 -57.8 -43.6 -8.2 -1.4 24.4 261 101 B Y H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.875 108.6 54.4 -70.1 -32.7 -9.7 -4.7 23.2 262 102 B Q H X S+ 0 0 92 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 112.3 44.5 -63.6 -42.5 -10.3 -3.2 19.8 263 103 B E H X S+ 0 0 93 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.894 113.6 48.8 -67.6 -41.3 -6.7 -2.3 19.6 264 104 B G H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.892 110.8 51.2 -69.0 -38.1 -5.5 -5.7 20.9 265 105 B A H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.931 112.1 46.7 -66.2 -43.0 -7.7 -7.6 18.4 266 106 B A H X S+ 0 0 63 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.904 114.1 47.8 -67.0 -41.4 -6.4 -5.6 15.4 267 107 B Y H X S+ 0 0 58 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.944 111.5 48.3 -62.6 -49.7 -2.9 -6.0 16.5 268 108 B A H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.7 0.900 110.8 53.2 -58.0 -37.8 -3.2 -9.8 17.1 269 109 B A H ><5S+ 0 0 38 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.911 102.9 57.8 -63.9 -40.5 -4.9 -10.1 13.7 270 110 B S H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.708 111.3 41.1 -70.3 -18.6 -1.9 -8.3 12.1 271 111 B V T <<5S- 0 0 61 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.231 116.4-109.7-106.6 9.7 0.6 -10.9 13.4 272 112 B G T < 5S+ 0 0 40 -3,-1.5 2,-2.0 -4,-0.3 -3,-0.2 0.657 72.7 139.4 76.4 13.4 -1.6 -14.0 12.7 273 113 B D >< + 0 0 21 -5,-2.4 4,-2.3 -6,-0.2 3,-0.2 -0.557 21.8 166.8 -87.2 74.6 -2.4 -14.7 16.4 274 114 B F H > + 0 0 111 -2,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.862 67.4 54.0 -64.4 -36.9 -6.0 -15.5 15.5 275 115 B P H > S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.903 111.9 46.2 -66.3 -33.8 -7.0 -17.2 18.9 276 116 B S H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.894 111.6 52.2 -67.1 -44.9 -5.7 -14.1 20.8 277 117 B K H X S+ 0 0 42 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.945 109.0 50.2 -53.4 -45.3 -7.6 -11.9 18.3 278 118 B N H X S+ 0 0 77 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.880 107.8 53.2 -62.0 -38.3 -10.8 -13.9 19.0 279 119 B L H X S+ 0 0 17 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.942 111.1 45.8 -58.4 -51.8 -10.3 -13.5 22.7 280 120 B F H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.929 115.1 47.7 -63.1 -38.8 -10.1 -9.7 22.4 281 121 B E H X S+ 0 0 93 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.909 110.5 49.9 -71.6 -39.3 -13.1 -9.6 20.0 282 122 B E H X S+ 0 0 98 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.946 115.4 44.7 -57.8 -49.1 -15.2 -11.8 22.3 283 123 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.881 109.3 56.0 -63.7 -40.1 -14.3 -9.5 25.2 284 124 B M H X S+ 0 0 34 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.933 108.4 48.2 -54.4 -38.6 -14.9 -6.4 23.1 285 125 B G H X S+ 0 0 30 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.893 111.3 51.1 -72.8 -38.7 -18.5 -7.7 22.4 286 126 B D H X S+ 0 0 50 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.916 108.8 50.4 -63.4 -45.6 -19.0 -8.4 26.2 287 127 B E H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.867 105.8 56.3 -61.6 -32.6 -17.8 -4.9 27.1 288 128 B E H X S+ 0 0 82 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.919 104.7 52.8 -69.9 -34.5 -20.3 -3.4 24.5 289 129 B H H X S+ 0 0 131 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.904 110.4 47.4 -62.8 -43.3 -23.1 -5.3 26.3 290 130 B H H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.891 112.2 50.0 -59.5 -42.0 -21.9 -3.7 29.7 291 131 B I H X S+ 0 0 11 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.936 110.1 50.4 -60.6 -43.5 -21.8 -0.2 27.9 292 132 B D H X S+ 0 0 91 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.944 110.9 49.5 -60.3 -49.0 -25.3 -0.8 26.6 293 133 B F H X S+ 0 0 45 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.961 115.0 43.0 -50.1 -53.3 -26.5 -1.7 30.1 294 134 B L H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.891 112.2 52.2 -67.0 -41.0 -24.9 1.4 31.7 295 135 B E H X S+ 0 0 76 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.883 108.2 52.6 -61.6 -36.6 -26.0 3.8 29.0 296 136 B T H X S+ 0 0 64 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.902 107.8 50.5 -66.9 -39.4 -29.5 2.5 29.4 297 137 B Q H X S+ 0 0 16 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.908 111.4 48.9 -68.7 -36.7 -29.4 3.2 33.2 298 138 B L H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.880 107.2 54.8 -68.3 -32.6 -28.2 6.7 32.5 299 139 B D H X S+ 0 0 82 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.926 108.7 49.4 -63.3 -41.2 -30.9 7.3 29.9 300 140 B L H X S+ 0 0 65 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.894 109.1 51.4 -64.4 -43.8 -33.5 6.3 32.7 301 141 B V H X S+ 0 0 10 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.893 111.8 48.9 -62.8 -35.6 -31.9 8.7 35.1 302 142 B S H < S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 117.8 37.9 -68.2 -43.3 -32.2 11.4 32.4 303 143 B K H < S+ 0 0 147 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.791 132.4 23.8 -80.4 -29.4 -35.8 10.8 31.5 304 144 B L H < S- 0 0 86 -4,-2.7 4,-0.4 -5,-0.2 -3,-0.2 0.587 107.2-110.4-111.5 -15.8 -37.1 10.0 35.1 305 145 B G X - 0 0 29 -4,-1.8 4,-1.9 -5,-0.4 5,-0.2 0.043 33.5 -86.8 87.3 153.3 -34.7 11.7 37.4 306 146 B L H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.897 122.6 56.5 -65.5 -40.2 -32.2 10.0 39.7 307 147 B E H > S+ 0 0 148 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 110.2 42.4 -60.7 -48.1 -34.7 9.6 42.6 308 148 B L H > S+ 0 0 112 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.905 115.3 51.4 -66.4 -39.1 -37.4 7.7 40.6 309 149 B Y H X S+ 0 0 4 -4,-1.9 4,-0.6 2,-0.2 3,-0.3 0.965 115.6 39.1 -58.7 -53.1 -34.7 5.5 38.9 310 150 B A H >< S+ 0 0 3 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.884 109.2 61.6 -72.2 -34.8 -33.0 4.4 42.1 311 151 B Q H >< S+ 0 0 123 -4,-2.5 3,-1.6 -5,-0.3 4,-0.3 0.890 98.0 58.2 -59.7 -35.7 -36.2 4.0 44.1 312 152 B H H 3< S+ 0 0 136 -4,-1.5 3,-0.4 -3,-0.3 -1,-0.3 0.793 107.6 47.5 -62.4 -27.6 -37.4 1.3 41.7 313 153 B H T << S+ 0 0 45 -3,-1.2 -114,-1.7 -4,-0.6 -113,-1.1 0.011 72.6 108.0-108.0 22.7 -34.3 -0.8 42.4 314 154 B I < - 0 0 72 -3,-1.6 -116,-1.9 -117,-0.2 -1,-0.2 0.885 65.8-166.2 -63.5 -37.8 -34.3 -0.7 46.2 315 155 B G - 0 0 30 -3,-0.4 2,-0.2 -4,-0.3 -1,-0.2 -0.358 27.1 -35.1 89.3-165.1 -35.4 -4.3 46.2 316 156 B K - 0 0 159 -2,-0.1 2,-0.4 1,-0.0 -118,-0.1 -0.628 58.2-109.5 -97.3 156.7 -36.8 -6.4 49.1 317 157 B L - 0 0 155 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.712 41.3-106.2 -84.9 139.8 -35.9 -6.3 52.8 318 158 B D 0 0 122 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.216 360.0 360.0 -60.0 147.2 -33.9 -9.4 54.1 319 159 B D 0 0 237 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.872 360.0 360.0 -50.0 360.0 -35.7 -11.9 56.3