==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-AUG-08 3E2C . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.G.WONG,S.A.L.TOM-YEW,A.LEWIN,N.E.LE BRUN,G.R.MOORE, . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 83.5 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 74.4 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 0 0 0 0 1 1 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 . 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 1 A M 0 0 192 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.2 21.1 15.2 3.5 2 2 A K - 0 0 120 64,-0.1 64,-0.2 1,-0.1 63,-0.1 -0.416 360.0-135.3 -62.9 130.1 23.9 13.6 1.5 3 3 A G - 0 0 15 62,-2.8 2,-0.2 59,-0.2 -1,-0.1 -0.167 39.3 -68.3 -75.5 175.6 24.6 10.0 2.6 4 4 A D > - 0 0 60 1,-0.1 4,-2.3 107,-0.1 -1,-0.2 -0.495 45.6-137.2 -63.8 133.9 28.0 8.3 3.2 5 5 A T H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.889 102.6 48.9 -67.1 -40.9 29.6 8.1 -0.2 6 6 A K H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.860 109.5 54.3 -67.4 -34.0 30.9 4.6 0.3 7 7 A V H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.952 110.0 46.2 -62.0 -48.6 27.4 3.5 1.5 8 8 A I H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 111.0 53.0 -59.3 -41.8 25.9 4.9 -1.8 9 9 A N H X S+ 0 0 98 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 109.8 48.3 -61.8 -42.7 28.6 3.1 -3.8 10 10 A Y H X S+ 0 0 48 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.923 110.1 51.9 -57.9 -47.1 27.8 -0.2 -2.1 11 11 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.873 110.7 48.2 -60.9 -39.0 24.1 0.3 -2.7 12 12 A N H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.889 111.1 50.1 -67.8 -39.3 24.8 0.9 -6.4 13 13 A K H X S+ 0 0 120 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.917 113.6 45.7 -62.5 -44.2 27.0 -2.1 -6.6 14 14 A L H X S+ 0 0 6 -4,-2.7 4,-2.1 2,-0.2 3,-0.2 0.929 109.8 53.7 -66.9 -44.6 24.3 -4.2 -5.0 15 15 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.899 104.5 57.9 -53.0 -41.5 21.6 -2.7 -7.3 16 16 A G H X S+ 0 0 22 -4,-2.1 4,-1.6 1,-0.2 59,-0.4 0.907 105.2 48.2 -56.6 -45.8 23.9 -3.8 -10.2 17 17 A N H X S+ 0 0 22 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.887 110.8 52.5 -62.7 -37.6 23.7 -7.4 -9.0 18 18 A E H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.879 105.1 54.4 -66.8 -36.1 19.9 -7.1 -8.7 19 19 A L H X S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.906 110.7 45.9 -66.1 -37.7 19.6 -5.8 -12.3 20 20 A V H X S+ 0 0 9 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.941 113.5 50.0 -64.2 -46.7 21.5 -8.9 -13.5 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.886 107.1 54.2 -61.6 -41.7 19.4 -11.2 -11.4 22 22 A I H X S+ 0 0 21 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.963 116.2 37.7 -57.2 -53.0 16.1 -9.6 -12.6 23 23 A N H X S+ 0 0 29 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.921 117.7 49.0 -68.4 -45.2 17.0 -10.2 -16.2 24 24 A Q H X S+ 0 0 1 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.938 116.2 42.9 -60.2 -48.2 18.7 -13.6 -15.7 25 25 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.894 113.4 52.0 -68.6 -39.2 15.8 -15.0 -13.7 26 26 A F H X S+ 0 0 21 -4,-2.4 4,-2.2 -5,-0.4 -2,-0.2 0.944 113.7 42.9 -61.7 -47.2 13.2 -13.5 -16.0 27 27 A L H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.918 114.3 50.3 -66.0 -43.6 14.7 -15.1 -19.1 28 28 A H H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.921 110.2 52.8 -57.9 -43.0 15.3 -18.4 -17.3 29 29 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.950 110.6 44.5 -57.9 -49.6 11.7 -18.3 -16.1 30 30 A R H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.842 111.5 54.3 -70.6 -27.7 10.3 -17.8 -19.6 31 31 A M H X S+ 0 0 27 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.946 109.6 47.5 -63.6 -48.1 12.7 -20.5 -21.0 32 32 A F H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.3 0.934 113.0 49.5 -55.9 -48.4 11.3 -22.9 -18.3 33 33 A K H ><5S+ 0 0 95 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.906 109.0 51.0 -58.0 -46.0 7.8 -21.9 -19.4 34 34 A N H 3<5S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.847 108.5 52.7 -65.1 -31.7 8.5 -22.4 -23.1 35 35 A W T 3<5S- 0 0 122 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.456 121.0-110.4 -77.7 -3.1 9.9 -25.9 -22.2 36 36 A G T < 5S+ 0 0 45 -3,-1.5 2,-1.1 -4,-0.3 -3,-0.2 0.694 72.6 140.5 79.9 22.5 6.6 -26.7 -20.4 37 37 A L >< + 0 0 9 -5,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.760 22.3 173.5 -97.7 84.9 8.1 -26.7 -16.9 38 38 A K H > S+ 0 0 133 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.873 71.8 49.5 -67.7 -42.9 5.3 -24.9 -15.1 39 39 A R H > S+ 0 0 75 2,-0.2 4,-2.8 114,-0.2 -1,-0.2 0.943 113.0 47.1 -61.2 -49.0 6.5 -25.2 -11.5 40 40 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.894 111.3 51.5 -64.8 -40.9 10.0 -23.9 -12.4 41 41 A N H X S+ 0 0 23 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.951 111.1 48.6 -55.4 -49.5 8.5 -21.0 -14.4 42 42 A D H X S+ 0 0 91 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.934 115.9 42.4 -60.2 -47.7 6.3 -20.1 -11.4 43 43 A V H X S+ 0 0 27 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.950 118.7 44.0 -63.7 -49.8 9.2 -20.2 -8.9 44 44 A E H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.887 111.3 53.9 -65.2 -41.7 11.7 -18.4 -11.2 45 45 A Y H X S+ 0 0 69 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.2 0.943 110.8 46.5 -57.0 -48.8 9.2 -15.7 -12.3 46 46 A H H X S+ 0 0 85 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.822 108.8 55.2 -67.7 -29.0 8.5 -14.9 -8.6 47 47 A E H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.938 108.0 49.6 -63.6 -45.9 12.2 -14.8 -7.9 48 48 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.933 111.1 49.2 -58.1 -45.1 12.6 -12.2 -10.7 49 49 A I H X S+ 0 0 45 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.911 108.9 52.6 -61.9 -42.4 9.7 -10.1 -9.3 50 50 A D H X S+ 0 0 62 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.870 108.0 51.1 -62.0 -36.4 11.3 -10.3 -5.8 51 51 A E H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.840 106.4 55.0 -66.9 -37.7 14.6 -9.0 -7.2 52 52 A M H X S+ 0 0 44 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 107.9 49.4 -57.0 -43.3 12.6 -6.2 -8.9 53 53 A K H X S+ 0 0 129 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.904 110.9 49.7 -64.9 -42.0 11.3 -5.3 -5.5 54 54 A H H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.936 109.4 51.1 -59.1 -48.1 14.8 -5.4 -4.0 55 55 A A H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.909 107.7 53.5 -57.3 -42.7 16.1 -3.1 -6.9 56 56 A D H X S+ 0 0 27 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.933 107.4 51.4 -59.8 -46.0 13.3 -0.7 -6.1 57 57 A R H X S+ 0 0 87 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.922 111.8 46.8 -55.2 -46.9 14.4 -0.6 -2.4 58 58 A Y H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.927 112.3 49.7 -61.0 -45.9 17.9 0.2 -3.5 59 59 A I H X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.942 112.1 47.9 -60.7 -48.1 16.9 2.9 -6.0 60 60 A E H X S+ 0 0 67 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.914 114.6 45.8 -59.4 -45.9 14.7 4.6 -3.4 61 61 A R H X S+ 0 0 38 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.914 111.3 51.2 -66.1 -44.5 17.4 4.5 -0.7 62 62 A I H <>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 -2,-0.2 0.946 112.1 47.1 -57.7 -48.0 20.2 5.7 -3.1 63 63 A L H ><5S+ 0 0 17 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.903 109.4 53.8 -61.5 -42.3 18.0 8.7 -4.2 64 64 A F H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.876 106.4 52.2 -58.3 -39.7 17.1 9.6 -0.6 65 65 A L T 3<5S- 0 0 13 -4,-2.1 -62,-2.8 -5,-0.1 -1,-0.3 0.315 122.9-108.8 -79.4 8.3 20.8 9.7 0.3 66 66 A E T < 5S+ 0 0 101 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.775 76.3 133.3 68.4 29.9 21.3 12.1 -2.7 67 67 A G < - 0 0 8 -5,-2.6 -1,-0.2 -6,-0.2 -62,-0.0 -0.495 60.2-111.5 -99.3 177.0 23.1 9.5 -4.8 68 68 A L - 0 0 147 -2,-0.2 2,-0.1 -3,-0.1 -5,-0.0 -0.935 26.2-135.8-116.2 105.2 22.6 8.6 -8.5 69 69 A P - 0 0 12 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.382 15.7-139.1 -59.5 132.6 21.1 5.1 -9.1 70 70 A N + 0 0 59 1,-0.1 -11,-0.0 -2,-0.1 -2,-0.0 -0.851 41.7 151.1 -99.8 101.4 23.0 3.4 -11.9 71 71 A L + 0 0 7 -2,-0.8 -1,-0.1 1,-0.1 3,-0.1 0.236 64.1 73.7-104.0 9.1 20.5 1.5 -14.2 72 72 A Q S S+ 0 0 49 1,-0.2 2,-1.2 110,-0.1 161,-0.1 0.864 78.8 68.7 -91.4 -41.8 22.7 1.9 -17.2 73 73 A D - 0 0 110 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.667 65.6-170.2 -92.1 90.7 25.6 -0.5 -16.6 74 74 A L - 0 0 37 -2,-1.2 159,-0.1 157,-0.1 3,-0.1 -0.694 14.0-140.5 -82.8 124.8 24.2 -4.0 -16.9 75 75 A G - 0 0 35 -2,-0.5 2,-0.3 -59,-0.4 -1,-0.1 0.008 40.1 -59.7 -74.0-177.3 26.6 -6.8 -15.8 76 76 A K - 0 0 135 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.490 46.5-149.4 -75.2 124.6 27.2 -10.1 -17.4 77 77 A L - 0 0 7 -2,-0.3 2,-0.5 -3,-0.1 -56,-0.1 -0.716 2.2-153.9 -83.3 145.8 24.2 -12.4 -17.5 78 78 A N - 0 0 85 -2,-0.3 2,-0.5 -58,-0.1 15,-0.1 -0.782 15.1-173.5-122.4 84.2 25.0 -16.1 -17.4 79 79 A I - 0 0 53 -2,-0.5 7,-0.1 10,-0.1 2,-0.1 -0.680 17.9-135.5 -84.2 121.3 22.1 -17.8 -19.2 80 80 A G - 0 0 1 -2,-0.5 3,-0.1 1,-0.1 -1,-0.0 -0.346 5.3-142.6 -74.3 159.6 22.3 -21.6 -18.9 81 81 A E S S+ 0 0 155 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.585 85.6 23.8 -99.6 -15.2 21.7 -24.0 -21.8 82 82 A D S > S- 0 0 67 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.917 92.1 -97.2-142.9 171.3 19.8 -26.6 -19.8 83 83 A V H > S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.864 120.7 50.5 -62.7 -39.4 17.9 -26.6 -16.5 84 84 A E H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 112.4 46.6 -61.2 -48.5 20.8 -27.8 -14.4 85 85 A E H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.888 110.7 53.9 -61.5 -40.4 23.1 -25.1 -15.7 86 86 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.944 111.5 43.4 -61.3 -50.6 20.5 -22.4 -15.3 87 87 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.905 113.0 51.9 -63.9 -41.7 19.9 -23.2 -11.6 88 88 A R H X S+ 0 0 105 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.907 110.2 49.8 -59.8 -40.4 23.7 -23.5 -10.9 89 89 A S H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 109.6 50.5 -65.8 -45.4 24.2 -20.1 -12.6 90 90 A D H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.921 111.4 49.7 -52.8 -46.9 21.4 -18.6 -10.4 91 91 A L H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 109.3 50.4 -62.3 -43.9 23.1 -20.1 -7.3 92 92 A A H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 111.8 48.7 -60.7 -42.4 26.5 -18.6 -8.3 93 93 A L H X S+ 0 0 24 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.921 111.5 49.0 -62.6 -46.1 24.9 -15.2 -8.8 94 94 A E H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.918 112.4 47.7 -62.0 -42.9 23.1 -15.4 -5.4 95 95 A L H X S+ 0 0 50 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.906 112.1 48.8 -67.2 -42.1 26.2 -16.4 -3.5 96 96 A D H X S+ 0 0 87 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.940 115.0 45.8 -58.5 -50.4 28.4 -13.7 -5.1 97 97 A G H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.862 109.1 55.6 -60.2 -39.1 25.7 -11.1 -4.3 98 98 A A H X S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.879 106.9 48.8 -66.0 -39.2 25.3 -12.4 -0.7 99 99 A K H X S+ 0 0 119 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.935 112.8 48.3 -63.5 -47.3 29.0 -12.0 0.0 100 100 A N H X S+ 0 0 47 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.907 112.0 51.1 -55.2 -45.9 28.9 -8.5 -1.4 101 101 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.910 108.0 50.3 -62.0 -45.4 25.8 -7.8 0.7 102 102 A R H X S+ 0 0 154 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.916 112.3 47.8 -63.6 -39.3 27.4 -9.1 4.0 103 103 A E H X S+ 0 0 121 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 112.1 49.8 -63.3 -44.4 30.4 -6.8 3.4 104 104 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.883 108.5 52.7 -61.0 -42.7 28.1 -3.8 2.6 105 105 A I H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.919 108.7 50.5 -57.8 -48.8 26.1 -4.4 5.8 106 106 A G H X S+ 0 0 40 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.895 111.6 48.2 -56.1 -45.4 29.3 -4.4 7.9 107 107 A Y H X S+ 0 0 50 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.957 110.5 48.9 -64.0 -50.9 30.3 -1.2 6.3 108 108 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 3,-0.6 0.902 111.7 51.5 -54.4 -44.1 26.9 0.6 6.8 109 109 A D H ><5S+ 0 0 72 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.920 104.7 57.0 -54.6 -46.7 27.0 -0.6 10.5 110 110 A S H 3<5S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 112.0 40.6 -63.4 -24.7 30.5 0.9 10.9 111 111 A V T <<5S- 0 0 48 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.195 115.8-111.8-109.3 15.1 29.4 4.4 9.8 112 112 A H T < 5 + 0 0 127 -3,-1.7 2,-1.3 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36.1 -67.0 -86.4 179.9 10.2 -18.2 -37.0 163 4 B D > - 0 0 58 1,-0.1 4,-2.7 107,-0.0 5,-0.2 -0.551 43.0-136.7 -68.1 130.2 11.3 -15.8 -39.7 164 5 B T H > S+ 0 0 100 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.890 103.8 47.2 -57.1 -44.5 14.9 -14.7 -38.9 165 6 B K H > S+ 0 0 100 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 109.8 53.1 -68.7 -40.3 14.2 -11.1 -39.7 166 7 B V H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.960 110.5 48.3 -55.6 -49.9 11.0 -11.1 -37.6 167 8 B I H X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 110.2 51.6 -60.3 -41.8 13.0 -12.4 -34.7 168 9 B N H X S+ 0 0 98 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.909 111.0 48.1 -59.2 -41.8 15.6 -9.7 -35.2 169 10 B Y H X S+ 0 0 27 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.936 109.8 51.9 -62.4 -48.4 12.9 -7.0 -35.2 170 11 B L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.901 110.5 49.0 -57.7 -41.2 11.4 -8.5 -32.1 171 12 B N H X S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.878 111.3 48.7 -64.2 -40.3 14.8 -8.3 -30.4 172 13 B K H X S+ 0 0 118 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.927 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-161,-0.1 -159,-0.1 -0.954 13.5-140.9-110.6 124.6 21.1 -2.4 -22.8 234 75 B G - 0 0 36 -2,-0.5 2,-0.4 -59,-0.4 -1,-0.0 -0.009 42.6 -57.7 -70.8 179.1 20.8 0.8 -24.9 235 76 B K - 0 0 146 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.453 45.7-149.7 -67.3 119.4 21.4 4.3 -23.9 236 77 B L - 0 0 9 -2,-0.4 2,-0.5 -3,-0.1 -56,-0.1 -0.678 4.2-156.3 -76.2 139.7 19.2 5.6 -21.0 237 78 B N - 0 0 90 -2,-0.3 2,-0.6 -58,-0.1 15,-0.1 -0.795 14.5-172.7-119.7 88.9 18.6 9.3 -21.3 238 79 B I - 0 0 57 -2,-0.5 7,-0.1 10,-0.1 2,-0.0 -0.731 13.3-142.1 -89.1 117.5 17.8 10.4 -17.7 239 80 B G - 0 0 4 -2,-0.6 3,-0.1 1,-0.1 -1,-0.0 -0.277 7.1-143.1 -71.1 162.7 16.6 14.0 -17.4 240 81 B E S S+ 0 0 156 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.489 83.3 28.1-109.6 -9.6 17.5 16.3 -14.5 241 82 B D S > S- 0 0 52 1,-0.0 4,-2.5 0, 0.0 3,-0.2 -0.954 92.9 -96.4-144.4 167.7 14.2 18.1 -14.2 242 83 B V H > S+ 0 0 1 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.798 120.2 49.8 -56.8 -37.5 10.6 17.2 -15.0 243 84 B E H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.944 113.0 45.5 -67.1 -49.2 10.5 18.8 -18.4 244 85 B E H > S+ 0 0 90 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.903 113.6 51.1 -56.1 -46.4 13.7 17.1 -19.6 245 86 B M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.945 112.8 43.7 -61.7 -51.8 12.6 13.7 -18.2 246 87 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.897 113.9 50.9 -60.9 -40.7 9.2 13.8 -19.9 247 88 B R H X S+ 0 0 125 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 109.3 51.6 -66.2 -39.7 10.8 15.1 -23.2 248 89 B S H X S+ 0 0 22 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.908 107.9 52.2 -60.6 -42.2 13.3 12.2 -23.1 249 90 B D H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.900 109.0 50.8 -58.2 -41.6 10.4 9.7 -22.6 250 91 B L H X S+ 0 0 15 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.930 107.7 51.6 -64.7 -45.8 8.7 11.2 -25.6 251 92 B A H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.912 111.3 48.6 -53.9 -48.0 11.8 10.9 -27.8 252 93 B L H X S+ 0 0 25 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.911 113.4 46.5 -60.0 -44.9 12.2 7.2 -26.8 253 94 B E H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.928 111.6 50.1 -66.3 -45.5 8.5 6.5 -27.5 254 95 B L H X S+ 0 0 69 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.907 112.5 48.1 -60.6 -41.3 8.5 8.3 -30.9 255 96 B D H X S+ 0 0 98 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.925 113.6 46.7 -63.5 -46.6 11.7 6.3 -31.9 256 97 B G H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.888 107.6 58.1 -60.1 -41.8 10.1 3.0 -30.8 257 98 B A H X S+ 0 0 3 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.884 106.9 46.6 -58.7 -43.2 6.9 3.9 -32.6 258 99 B K H X S+ 0 0 154 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.919 112.4 50.6 -65.9 -43.7 8.6 4.2 -36.0 259 100 B N H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.919 110.9 50.3 -55.6 -47.4 10.5 0.9 -35.3 260 101 B L H X S+ 0 0 3 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.939 107.1 52.4 -57.8 -51.1 7.2 -0.8 -34.5 261 102 B R H X S+ 0 0 141 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.905 111.4 47.4 -54.9 -43.9 5.5 0.4 -37.6 262 103 B E H X S+ 0 0 106 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.944 113.4 47.5 -60.7 -50.7 8.3 -1.0 -39.8 263 104 B A H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.881 109.1 54.4 -59.2 -40.7 8.3 -4.3 -37.9 264 105 B I H X S+ 0 0 23 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.949 109.7 46.4 -61.6 -50.4 4.5 -4.6 -38.2 265 106 B G H X S+ 0 0 44 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.895 114.5 48.8 -57.0 -41.2 4.5 -4.2 -42.0 266 107 B Y H X S+ 0 0 48 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.946 110.2 48.6 -68.2 -46.8 7.4 -6.6 -42.3 267 108 B A H ><>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 3,-1.1 0.954 111.0 52.8 -57.2 -48.6 5.7 -9.3 -40.1 268 109 B D H ><5S+ 0 0 67 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.891 102.8 58.8 -46.4 -47.2 2.5 -8.9 -42.1 269 110 B S H 3<5S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.704 109.4 42.0 -64.2 -26.6 4.5 -9.5 -45.4 270 111 B V T <<5S- 0 0 52 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.183 118.1-110.7-103.4 14.0 5.7 -12.9 -44.3 271 112 B H T < 5 + 0 0 131 -3,-1.8 2,-1.6 -4,-0.2 3,-0.2 0.686 69.7 144.1 67.8 22.4 2.3 -13.9 -42.9 272 113 B D >< + 0 0 20 -5,-2.2 4,-2.3 -6,-0.2 -1,-0.2 -0.639 14.6 162.0 -88.4 79.2 3.4 -13.8 -39.2 273 114 B Y H > + 0 0 101 -2,-1.6 4,-2.8 2,-0.2 5,-0.3 0.787 65.4 61.1 -75.4 -28.5 0.1 -12.4 -38.1 274 115 B V H > S+ 0 0 92 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.967 111.9 39.2 -61.3 -49.5 0.6 -13.4 -34.4 275 116 B S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.932 115.6 53.7 -63.9 -44.3 3.7 -11.2 -34.2 276 117 B R H X S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.942 112.3 42.2 -56.4 -52.2 2.1 -8.5 -36.4 277 118 B D H X S+ 0 0 62 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.875 110.8 56.1 -67.4 -37.7 -1.0 -8.2 -34.1 278 119 B M H X S+ 0 0 11 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.942 110.6 45.8 -53.9 -48.5 1.0 -8.4 -30.9 279 120 B M H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.862 108.5 55.8 -64.9 -38.4 3.0 -5.4 -32.2 280 121 B I H X S+ 0 0 49 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.913 109.2 47.3 -59.0 -44.6 -0.2 -3.5 -33.2 281 122 B E H X S+ 0 0 87 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.922 112.8 48.5 -63.4 -45.9 -1.5 -3.9 -29.6 282 123 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 109.3 53.6 -58.6 -46.5 1.8 -2.7 -28.1 283 124 B L H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.898 104.8 54.3 -55.1 -44.3 1.9 0.3 -30.6 284 125 B R H X S+ 0 0 149 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.901 109.9 48.0 -57.9 -42.7 -1.6 1.3 -29.4 285 126 B D H X S+ 0 0 80 -4,-1.7 4,-1.4 2,-0.2 3,-0.5 0.928 110.0 51.2 -59.9 -48.2 -0.4 1.3 -25.9 286 127 B E H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 3,-0.4 0.913 106.3 55.7 -59.0 -42.1 2.8 3.4 -26.8 287 128 B R H X S+ 0 0 101 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.799 102.1 56.2 -62.7 -32.5 0.6 6.0 -28.6 288 129 B G H X S+ 0 0 38 -4,-1.2 4,-2.1 -3,-0.5 -1,-0.2 0.878 108.1 47.9 -62.8 -39.9 -1.5 6.5 -25.4 289 130 B H H X S+ 0 0 3 -4,-1.4 4,-2.6 -3,-0.4 -2,-0.2 0.906 109.4 52.7 -67.4 -43.3 1.7 7.4 -23.5 290 131 B I H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.944 108.4 51.9 -55.2 -49.9 2.8 9.7 -26.3 291 132 B D H X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.934 111.6 45.1 -50.5 -54.7 -0.7 11.5 -26.0 292 133 B W H X S+ 0 0 59 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.897 111.6 53.7 -59.0 -43.0 -0.3 12.0 -22.3 293 134 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.930 107.3 50.2 -60.1 -48.1 3.3 13.2 -22.7 294 135 B R H X S+ 0 0 136 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.930 111.4 48.2 -55.9 -46.8 2.4 15.9 -25.2 295 136 B T H X S+ 0 0 99 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.922 114.1 46.2 -62.3 -42.9 -0.4 17.3 -23.0 296 137 B E H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.896 111.7 50.7 -68.1 -40.7 1.8 17.4 -20.0 297 138 B L H X S+ 0 0 5 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.863 108.1 54.2 -64.9 -36.3 4.7 19.0 -21.9 298 139 B D H X S+ 0 0 76 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.932 107.9 49.5 -60.4 -49.4 2.3 21.6 -23.2 299 140 B L H X S+ 0 0 61 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.904 111.0 49.1 -56.5 -46.2 1.2 22.5 -19.6 300 141 B I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.844 112.2 49.1 -64.0 -36.4 4.9 22.8 -18.5 301 142 B Q H < S+ 0 0 132 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.942 114.0 45.7 -65.2 -49.1 5.6 25.1 -21.5 302 143 B K H < S+ 0 0 150 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.924 124.8 31.6 -60.6 -47.2 2.5 27.2 -20.7 303 144 B M H < S- 0 0 81 -4,-3.0 4,-0.3 -5,-0.2 -1,-0.2 0.797 107.5-121.5 -82.0 -31.0 3.2 27.5 -17.0 304 145 B G X - 0 0 29 -4,-2.3 4,-2.4 -5,-0.3 3,-0.2 0.220 29.8 -93.4 83.4 141.8 7.0 27.4 -17.0 305 146 B L H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.827 121.7 54.3 -66.1 -34.5 8.7 24.6 -15.0 306 147 B Q H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.935 115.5 38.6 -64.8 -45.9 9.2 26.6 -11.8 307 148 B N H > S+ 0 0 87 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.807 112.6 59.0 -75.2 -29.0 5.5 27.5 -11.5 308 149 B Y H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.943 107.4 45.7 -60.3 -49.5 4.4 24.1 -12.8 309 150 B L H X S+ 0 0 51 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.864 110.8 53.4 -63.8 -38.4 6.3 22.4 -9.9 310 151 B Q H X S+ 0 0 98 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.873 108.4 50.6 -63.1 -39.9 4.8 24.9 -7.4 311 152 B A H X S+ 0 0 5 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.931 106.3 55.3 -60.8 -47.8 1.3 24.0 -8.6 312 153 B Q H X S+ 0 0 9 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.908 113.4 39.8 -54.1 -47.7 1.9 20.3 -8.3 313 154 B I H < S+ 0 0 82 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.824 112.8 55.1 -76.7 -33.2 2.8 20.6 -4.6 314 155 B R H < S+ 0 0 173 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.948 113.5 43.5 -55.0 -49.3 0.1 23.2 -3.9 315 156 B E H < S+ 0 0 138 -4,-2.9 2,-0.4 -5,-0.1 -2,-0.2 0.750 108.9 70.5 -70.1 -26.9 -2.4 20.7 -5.3 316 157 B E < 0 0 38 -4,-1.3 -120,-0.0 -5,-0.2 0, 0.0 -0.774 360.0 360.0-101.5 138.1 -0.8 17.7 -3.4 317 158 B G 0 0 137 -2,-0.4 -1,-0.1 0, 0.0 -3,-0.1 -0.206 360.0 360.0 75.6 360.0 -1.0 17.0 0.3