==== 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 4AM5 . 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) . 15561.0 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 0.000 360.0 360.0 360.0 131.2 4.1 -22.1 22.9 2 2 A K - 0 0 154 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.569 360.0-156.4 -76.7 121.0 6.1 -18.9 22.6 3 3 A G - 0 0 21 62,-2.3 2,-0.3 -2,-0.6 -1,-0.0 -0.215 28.6 -80.4 -85.9 171.4 3.8 -16.0 21.7 4 4 A D > - 0 0 56 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.571 39.6-138.2 -69.2 125.8 4.3 -12.6 20.0 5 5 A Q H > S+ 0 0 140 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.874 102.0 49.8 -57.4 -38.7 5.7 -10.3 22.7 6 6 A K H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 109.2 53.1 -72.1 -36.3 3.6 -7.4 21.8 7 7 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.938 108.4 51.2 -59.8 -45.0 0.4 -9.6 21.9 8 8 A I H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.915 107.6 53.1 -55.9 -41.5 1.5 -10.7 25.4 9 9 A E H X S+ 0 0 87 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.923 109.2 47.8 -59.0 -44.5 1.8 -7.0 26.3 10 10 A Y H X S+ 0 0 22 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.909 110.7 52.2 -64.7 -38.9 -1.7 -6.3 25.1 11 11 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.886 110.9 47.3 -63.4 -39.3 -3.0 -9.3 27.0 12 12 A N H X S+ 0 0 33 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.875 110.6 51.0 -69.7 -36.4 -1.3 -8.0 30.2 13 13 A R H X S+ 0 0 76 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.928 111.7 49.0 -63.0 -38.7 -2.7 -4.5 29.6 14 14 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.902 107.9 53.9 -66.3 -41.1 -6.2 -6.2 29.2 15 15 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.937 108.9 48.7 -56.2 -48.2 -5.6 -8.2 32.5 16 16 A R H X S+ 0 0 72 -4,-2.3 4,-2.0 1,-0.2 59,-0.6 0.903 110.0 52.6 -60.5 -43.2 -4.9 -4.9 34.3 17 17 A S H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.921 112.3 45.0 -54.9 -46.3 -8.1 -3.5 32.8 18 18 A E H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.876 109.0 53.5 -69.1 -38.6 -10.1 -6.4 34.1 19 19 A L H X S+ 0 0 21 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.894 110.4 49.9 -61.8 -36.1 -8.6 -6.5 37.5 20 20 A T H X S+ 0 0 8 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.935 111.6 48.4 -64.2 -44.8 -9.6 -2.7 37.7 21 21 A A H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.869 108.3 54.3 -62.8 -41.7 -13.1 -3.6 36.6 22 22 A V H X S+ 0 0 21 -4,-2.9 4,-2.2 29,-0.2 -1,-0.2 0.941 115.8 37.4 -55.2 -53.5 -13.5 -6.4 39.1 23 23 A S H X S+ 0 0 13 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.865 116.2 51.9 -71.9 -34.2 -12.6 -4.2 42.1 24 24 A Q H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.961 114.8 42.3 -69.0 -45.0 -14.4 -1.2 40.8 25 25 A Y H X S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.882 115.2 51.1 -63.3 -38.3 -17.6 -3.1 40.3 26 26 A W H X S+ 0 0 34 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.926 111.5 46.3 -67.7 -43.2 -17.2 -5.0 43.6 27 27 A L H X S+ 0 0 3 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.945 113.8 49.0 -62.8 -39.7 -16.7 -1.8 45.6 28 28 A H H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.910 108.4 54.8 -66.5 -37.3 -19.7 -0.2 43.8 29 29 A Y H X S+ 0 0 18 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.954 112.1 43.6 -55.7 -52.3 -21.8 -3.4 44.6 30 30 A R H X S+ 0 0 24 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.850 113.4 50.7 -70.9 -25.4 -21.0 -3.0 48.3 31 31 A M H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 111.0 48.9 -71.1 -41.1 -21.6 0.8 48.2 32 32 A L H X>S+ 0 0 1 -4,-2.8 5,-2.3 2,-0.2 4,-0.7 0.924 112.7 48.6 -66.3 -38.9 -25.0 0.2 46.5 33 33 A E H ><5S+ 0 0 54 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.923 110.3 50.8 -62.8 -42.6 -25.8 -2.4 49.2 34 34 A D H 3<5S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.883 110.0 50.0 -63.6 -36.7 -24.7 -0.0 51.9 35 35 A W H 3<5S- 0 0 79 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.601 120.5-110.2 -76.7 -13.0 -26.9 2.7 50.5 36 36 A G T <<5S+ 0 0 31 -3,-1.0 2,-1.5 -4,-0.7 -3,-0.2 0.508 78.1 128.7 102.0 4.4 -29.9 0.3 50.4 37 37 A Y >< + 0 0 62 -5,-2.3 4,-2.9 1,-0.2 117,-0.2 -0.608 28.7 170.4 -90.9 81.2 -30.3 -0.3 46.6 38 38 A K H > + 0 0 46 116,-1.9 4,-2.3 -2,-1.5 117,-0.2 0.813 69.8 51.0 -73.5 -29.1 -30.3 -4.0 46.9 39 39 A D H > S+ 0 0 53 114,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.894 112.3 46.1 -76.4 -32.5 -31.4 -4.8 43.3 40 40 A L H > S+ 0 0 6 113,-1.1 4,-2.7 2,-0.2 5,-0.2 0.944 111.0 54.0 -67.0 -41.9 -28.7 -2.6 41.9 41 41 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.928 106.0 53.8 -57.5 -44.4 -26.2 -4.2 44.3 42 42 A K H X S+ 0 0 130 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.921 110.0 46.3 -55.6 -43.6 -27.2 -7.7 43.0 43 43 A K H X S+ 0 0 79 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.929 111.1 51.2 -67.8 -40.2 -26.5 -6.7 39.4 44 44 A W H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.879 108.2 52.5 -68.2 -35.3 -23.2 -5.0 40.2 45 45 A R H X S+ 0 0 101 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.944 110.9 48.0 -57.0 -48.0 -22.0 -8.2 42.1 46 46 A A H X S+ 0 0 44 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.886 110.7 50.8 -64.5 -38.5 -22.9 -10.3 39.0 47 47 A E H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.909 108.3 52.4 -66.2 -39.9 -21.0 -7.8 36.7 48 48 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.929 109.4 49.7 -60.1 -42.4 -17.9 -8.0 38.9 49 49 A I H X S+ 0 0 72 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.861 107.0 54.5 -66.4 -34.3 -18.0 -11.8 38.7 50 50 A E H X S+ 0 0 85 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.901 109.5 48.0 -60.9 -40.8 -18.3 -11.6 34.9 51 51 A E H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.830 104.2 60.6 -72.6 -28.3 -15.1 -9.4 34.9 52 52 A M H X S+ 0 0 52 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.911 105.0 49.4 -61.3 -41.4 -13.4 -12.0 37.2 53 53 A A H X S+ 0 0 51 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.897 109.6 50.7 -62.9 -40.2 -13.9 -14.6 34.4 54 54 A H H X S+ 0 0 8 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.920 108.6 51.6 -62.9 -44.0 -12.4 -12.2 31.8 55 55 A A H X S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.926 109.6 51.0 -58.2 -45.2 -9.3 -11.6 34.1 56 56 A D H X S+ 0 0 22 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.881 105.1 55.6 -61.5 -40.8 -8.9 -15.4 34.3 57 57 A K H X S+ 0 0 70 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.916 108.5 48.5 -60.4 -34.8 -9.1 -15.8 30.6 58 58 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.925 109.7 51.1 -69.1 -42.6 -6.2 -13.3 30.2 59 59 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.934 111.2 49.6 -56.2 -45.6 -4.1 -15.1 32.8 60 60 A E H X S+ 0 0 95 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.919 113.0 45.6 -62.4 -41.2 -4.6 -18.4 31.0 61 61 A R H X S+ 0 0 40 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.880 109.8 53.3 -72.8 -39.3 -3.7 -17.1 27.6 62 62 A I H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 -1,-0.2 0.935 111.2 47.2 -58.9 -43.4 -0.6 -15.2 28.8 63 63 A L H ><5S+ 0 0 14 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.2 0.889 108.9 53.5 -66.8 -38.9 0.7 -18.4 30.4 64 64 A F H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.912 108.3 49.8 -59.8 -38.3 0.0 -20.5 27.3 65 65 A L T 3<5S- 0 0 1 -4,-2.1 -62,-2.3 -63,-0.1 -1,-0.3 0.279 121.6-111.9 -84.3 11.6 2.0 -18.0 25.2 66 66 A E T < 5S+ 0 0 94 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.692 72.9 135.0 64.7 27.7 4.9 -18.3 27.9 67 67 A G < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -62,-0.0 -0.385 61.0-109.3 -92.3 177.9 4.5 -14.8 29.2 68 68 A L - 0 0 146 -2,-0.1 2,-0.1 2,-0.0 -5,-0.0 -0.893 28.5-138.1-110.2 107.2 4.4 -13.6 32.7 69 69 A P - 0 0 9 0, 0.0 2,-0.7 0, 0.0 -10,-0.1 -0.402 14.1-149.9 -64.9 136.8 0.9 -12.4 33.9 70 70 A N + 0 0 72 1,-0.1 3,-0.2 -2,-0.1 -2,-0.0 -0.891 30.7 159.9-112.1 108.4 1.2 -9.2 35.9 71 71 A L + 0 0 5 -2,-0.7 -1,-0.1 1,-0.1 112,-0.1 0.214 48.0 102.5-104.9 14.3 -1.6 -8.8 38.5 72 72 A Q S S+ 0 0 51 111,-0.1 162,-0.5 1,-0.0 2,-0.3 0.846 78.8 34.5 -73.4 -27.7 0.4 -6.3 40.7 73 73 A T B -A 233 0A 68 -3,-0.2 2,-0.3 160,-0.1 -54,-0.1 -0.843 58.4-153.0-135.3 155.5 -1.4 -3.1 39.6 74 74 A L - 0 0 19 158,-0.6 -57,-0.1 -2,-0.3 3,-0.1 -0.841 31.7-105.2-111.9 163.7 -4.7 -1.7 38.6 75 75 A D - 0 0 44 -59,-0.6 2,-0.2 -2,-0.3 -1,-0.1 -0.292 67.4 -68.9 -76.8 163.6 -5.6 1.3 36.4 76 76 A P - 0 0 103 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.439 56.3-123.8 -65.7 136.1 -6.9 4.2 38.6 77 77 A L - 0 0 31 -2,-0.2 2,-0.6 -3,-0.1 -56,-0.1 -0.416 12.1-149.7 -75.1 150.5 -10.2 3.5 40.2 78 78 A R - 0 0 82 -2,-0.1 2,-0.6 11,-0.1 15,-0.1 -0.967 16.8-168.5-118.7 112.2 -13.2 5.8 39.7 79 79 A I - 0 0 59 -2,-0.6 2,-0.2 10,-0.1 7,-0.1 -0.875 8.5-148.6-109.4 116.5 -15.4 5.6 42.9 80 80 A G - 0 0 0 -2,-0.6 6,-0.1 1,-0.1 3,-0.0 -0.634 10.3-162.5 -82.2 151.2 -18.8 7.2 42.6 81 81 A Q S S+ 0 0 96 -2,-0.2 2,-0.3 -50,-0.0 -1,-0.1 0.263 77.7 39.9-114.6 15.3 -20.5 8.8 45.7 82 82 A T S > S- 0 0 59 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.916 93.5-105.3-139.9 165.8 -24.0 8.8 44.3 83 83 A V H > S+ 0 0 7 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.891 122.4 50.2 -59.1 -42.1 -25.8 6.3 42.2 84 84 A K H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 109.3 50.8 -64.6 -40.3 -25.4 8.4 39.1 85 85 A E H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.833 108.1 53.2 -61.8 -35.3 -21.7 8.9 39.7 86 86 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.962 111.0 46.4 -63.8 -47.2 -21.3 5.0 40.1 87 87 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 115.8 46.2 -59.4 -47.5 -23.0 4.6 36.7 88 88 A E H X S+ 0 0 91 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.877 111.7 50.7 -64.7 -38.4 -20.8 7.3 35.1 89 89 A S H X S+ 0 0 18 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.894 113.3 44.7 -63.3 -47.0 -17.6 5.9 36.7 90 90 A D H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.917 111.2 54.0 -71.0 -35.5 -18.2 2.4 35.4 91 91 A L H X S+ 0 0 8 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.922 108.0 50.1 -63.6 -43.2 -19.3 3.6 31.9 92 92 A A H X S+ 0 0 24 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.893 113.2 46.5 -63.7 -38.1 -16.0 5.6 31.6 93 93 A A H X S+ 0 0 14 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.900 111.3 50.2 -68.4 -39.0 -14.0 2.5 32.6 94 94 A E H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.877 106.4 54.9 -72.1 -32.5 -15.8 0.2 30.3 95 95 A R H X S+ 0 0 133 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.904 109.0 49.9 -60.8 -39.9 -15.4 2.5 27.3 96 96 A E H X S+ 0 0 100 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.925 110.5 50.0 -69.0 -36.9 -11.6 2.4 27.9 97 97 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 108.9 50.7 -62.5 -48.4 -11.7 -1.4 28.1 98 98 A R H X S+ 0 0 75 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.908 110.8 49.4 -53.3 -47.3 -13.6 -1.8 24.9 99 99 A A H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.885 109.7 51.8 -67.2 -34.8 -11.1 0.5 23.1 100 100 A L H X S+ 0 0 24 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.915 111.2 47.4 -63.5 -42.4 -8.1 -1.5 24.4 101 101 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.858 107.6 55.4 -70.9 -29.5 -9.7 -4.7 23.2 102 102 A Q H X S+ 0 0 94 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.938 112.5 43.3 -61.8 -43.8 -10.4 -3.3 19.8 103 103 A E H X S+ 0 0 94 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.896 113.5 50.8 -70.2 -39.5 -6.7 -2.4 19.5 104 104 A G H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.912 110.6 50.0 -62.1 -40.6 -5.5 -5.7 20.9 105 105 A A H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.955 111.6 47.5 -65.6 -40.6 -7.7 -7.6 18.5 106 106 A A H X S+ 0 0 63 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 113.8 48.0 -67.3 -40.8 -6.4 -5.6 15.5 107 107 A Y H X S+ 0 0 68 -4,-2.5 4,-1.1 2,-0.2 6,-0.2 0.958 111.9 47.9 -61.5 -48.7 -2.8 -6.1 16.6 108 108 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.7 0.909 110.6 52.4 -61.9 -37.8 -3.1 -9.8 17.1 109 109 A A H ><5S+ 0 0 37 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.918 103.8 58.2 -62.6 -40.1 -4.9 -10.2 13.7 110 110 A S H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.714 111.3 41.2 -64.9 -22.8 -2.0 -8.4 12.1 111 111 A V T <<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.206 117.2-109.6-104.2 8.0 0.6 -11.0 13.4 112 112 A G T < 5S+ 0 0 40 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4,-2.3 1,-0.2 -1,-0.2 0.908 110.8 49.9 -66.9 -40.4 2.5 -14.0 52.5 254 94 B E H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.872 107.0 55.8 -71.4 -32.6 0.1 -15.8 54.8 255 95 B R H X S+ 0 0 121 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 108.9 48.6 -59.7 -37.7 2.5 -15.3 57.8 256 96 B E H X S+ 0 0 99 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.909 111.0 50.1 -70.7 -39.2 2.4 -11.6 57.2 257 97 B A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.922 109.5 51.1 -60.4 -48.0 -1.4 -11.7 56.9 258 98 B R H X S+ 0 0 77 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 110.1 48.9 -54.5 -46.2 -1.7 -13.6 60.2 259 99 B A H X S+ 0 0 43 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.874 110.5 52.0 -67.7 -36.7 0.6 -11.1 62.0 260 100 B L H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 110.5 46.9 -63.2 -41.2 -1.5 -8.1 60.7 261 101 B Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.847 107.9 56.1 -73.9 -27.7 -4.7 -9.6 61.9 262 102 B Q H X S+ 0 0 96 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.952 112.8 42.4 -60.3 -44.4 -3.2 -10.4 65.3 263 103 B E H X S+ 0 0 93 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.895 113.7 51.3 -68.7 -43.0 -2.4 -6.7 65.6 264 104 B G H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.906 110.6 50.0 -61.0 -42.3 -5.8 -5.5 64.2 265 105 B A H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.944 111.6 47.2 -65.5 -42.5 -7.6 -7.7 66.6 266 106 B A H X S+ 0 0 63 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.910 114.5 47.4 -65.4 -40.9 -5.6 -6.4 69.6 267 107 B Y H X S+ 0 0 60 -4,-2.5 4,-1.1 1,-0.2 6,-0.2 0.942 111.6 48.3 -64.1 -48.5 -6.1 -2.8 68.6 268 108 B A H ><>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-0.7 0.915 111.2 51.6 -61.4 -37.5 -9.8 -3.1 68.0 269 109 B A H ><5S+ 0 0 36 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.908 104.0 58.1 -61.5 -43.5 -10.2 -4.9 71.4 270 110 B S H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.702 111.3 41.8 -63.2 -21.8 -8.4 -2.0 73.1 271 111 B V T <<5S- 0 0 60 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.232 117.1-110.5-106.4 12.5 -11.0 0.5 71.7 272 112 B G T < 5S+ 0 0 40 -3,-1.6 2,-1.7 -4,-0.2 -3,-0.2 0.686 73.1 137.8 76.2 12.5 -14.0 -1.7 72.4 273 113 B D >< + 0 0 17 -5,-2.5 4,-2.5 -6,-0.2 -1,-0.2 -0.580 21.5 166.1 -92.3 81.1 -14.8 -2.5 68.7 274 114 B F H > + 0 0 113 -2,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.857 65.8 56.8 -72.0 -31.5 -15.5 -6.1 69.5 275 115 B P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 111.7 43.9 -67.6 -34.7 -17.2 -7.0 66.1 276 116 B S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.909 111.6 53.6 -70.6 -40.2 -14.2 -5.8 64.3 277 117 B K H X S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.936 109.1 49.8 -52.8 -43.9 -11.9 -7.6 66.8 278 118 B N H X S+ 0 0 79 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.838 107.2 53.6 -71.2 -30.3 -13.9 -10.8 66.1 279 119 B L H X S+ 0 0 19 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.935 112.1 45.8 -65.5 -47.0 -13.6 -10.4 62.3 280 120 B F H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.904 113.8 47.9 -64.9 -37.0 -9.8 -10.1 62.7 281 121 B E H X S+ 0 0 93 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.907 111.6 50.7 -68.4 -37.5 -9.7 -13.1 65.1 282 122 B E H X S+ 0 0 92 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.946 114.1 44.1 -62.9 -48.0 -11.9 -15.2 62.7 283 123 B L H X S+ 0 0 0 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S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.940 114.2 43.8 -59.0 -49.3 -1.7 -26.5 54.9 294 134 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.920 113.5 50.9 -69.8 -40.0 1.3 -24.8 53.2 295 135 B E H X S+ 0 0 76 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.892 109.4 52.6 -58.1 -40.0 3.7 -26.0 56.0 296 136 B T H X S+ 0 0 62 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.917 107.8 50.4 -64.2 -40.5 2.4 -29.5 55.6 297 137 B Q H X S+ 0 0 17 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.926 112.1 47.5 -64.5 -41.0 3.1 -29.4 51.8 298 138 B L H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.859 107.9 56.0 -67.7 -30.4 6.7 -28.2 52.5 299 139 B D H X S+ 0 0 78 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.930 108.5 47.7 -65.6 -43.6 7.1 -30.9 55.1 300 140 B L H X S+ 0 0 62 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.902 110.2 51.5 -63.7 -43.0 6.2 -33.5 52.4 301 141 B V H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.893 111.5 49.0 -59.0 -40.2 8.6 -31.9 49.9 302 142 B S H < S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.7 37.7 -65.8 -39.9 11.4 -32.1 52.7 303 143 B K H < S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.773 132.5 23.5 -84.9 -32.4 10.7 -35.8 53.5 304 144 B L H < S- 0 0 92 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.604 108.1-110.3-108.3 -17.1 9.9 -37.1 50.0 305 145 B G X - 0 0 28 -4,-1.9 4,-2.0 -5,-0.4 5,-0.2 0.084 35.0 -85.6 89.9 149.9 11.7 -34.7 47.7 306 146 B L H > S+ 0 0 37 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.857 122.9 55.8 -61.2 -39.2 9.9 -32.2 45.4 307 147 B E H > S+ 0 0 149 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.8 43.9 -67.1 -44.9 9.4 -34.7 42.4 308 148 B L H > S+ 0 0 109 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.909 115.9 49.1 -62.5 -41.4 7.6 -37.4 44.5 309 149 B Y H X S+ 0 0 5 -4,-2.0 4,-0.6 2,-0.2 3,-0.3 0.962 115.8 41.5 -63.1 -49.4 5.4 -34.8 46.2 310 150 B A H >< S+ 0 0 2 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.914 108.5 59.2 -71.1 -34.0 4.4 -33.0 43.0 311 151 B Q H >< S+ 0 0 123 -4,-2.5 3,-1.6 -5,-0.3 4,-0.3 0.854 98.2 61.1 -60.6 -34.5 3.9 -36.2 40.9 312 152 B H H 3< S+ 0 0 134 -4,-1.5 3,-0.4 -3,-0.3 -1,-0.3 0.809 105.9 46.8 -62.6 -24.9 1.2 -37.4 43.4 313 153 B H T << S+ 0 0 45 -3,-1.4 -114,-1.8 -4,-0.6 -113,-1.1 0.064 73.9 108.5-108.1 24.7 -0.9 -34.4 42.7 314 154 B I < - 0 0 72 -3,-1.6 -116,-1.8 -117,-0.2 -1,-0.2 0.886 65.3-166.4 -64.1 -37.5 -0.7 -34.4 38.8 315 155 B G - 0 0 31 -3,-0.4 2,-0.2 -4,-0.3 -1,-0.2 -0.403 26.2 -35.1 86.3-162.8 -4.4 -35.5 38.8 316 156 B K - 0 0 147 -2,-0.1 2,-0.3 1,-0.0 -118,-0.1 -0.641 58.5-109.5-101.7 153.4 -6.5 -36.9 36.0 317 157 B L - 0 0 150 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 -0.622 41.1-103.5 -81.3 145.3 -6.4 -36.0 32.3 318 158 B D 0 0 120 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.347 360.0 360.0 -67.8 147.4 -9.4 -33.9 30.9 319 159 B D 0 0 234 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.897 360.0 360.0 -48.5 360.0 -12.0 -35.8 28.8