==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-SEP-09 2WTL . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.GUPTA,R.K.GUPTA,G.KHARE,D.M.SALUNKE,A.K.TYAGI . 966 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 791 81.9 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 . 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 . 1 0.1 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 . 33 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 671 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 6 0 12 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 2 A Q 0 0 206 0, 0.0 64,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 136.5 -10.6 -52.1 -63.2 2 3 A G - 0 0 14 62,-2.2 59,-0.0 59,-0.2 110,-0.0 -0.496 360.0 -83.6 -85.4 164.5 -8.5 -50.4 -60.5 3 4 A D > - 0 0 48 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.496 37.0-128.3 -67.0 138.3 -7.5 -52.2 -57.3 4 5 A P H > S+ 0 0 93 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.805 108.2 51.8 -62.5 -31.8 -10.3 -52.0 -54.7 5 6 A D H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.873 110.2 48.4 -72.5 -38.0 -8.0 -50.7 -52.0 6 7 A V H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.902 110.8 51.5 -65.9 -42.0 -6.7 -48.0 -54.3 7 8 A L H X S+ 0 0 31 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.882 108.6 51.0 -62.8 -40.0 -10.2 -47.0 -55.3 8 9 A R H X S+ 0 0 132 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.915 111.2 48.1 -62.9 -43.6 -11.2 -46.8 -51.6 9 10 A L H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.893 110.4 51.7 -64.9 -40.6 -8.3 -44.5 -50.9 10 11 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.908 110.3 48.1 -62.9 -43.7 -9.1 -42.3 -53.9 11 12 A N H X S+ 0 0 26 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.819 108.7 54.7 -67.7 -31.3 -12.7 -41.9 -52.8 12 13 A E H X S+ 0 0 83 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.938 110.1 46.2 -65.2 -45.4 -11.6 -41.1 -49.2 13 14 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.866 109.8 54.7 -64.2 -37.3 -9.3 -38.3 -50.6 14 15 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 105.7 51.8 -61.9 -43.5 -12.2 -37.1 -52.8 15 16 A T H X S+ 0 0 15 -4,-2.0 4,-1.6 1,-0.2 59,-0.6 0.865 109.4 51.8 -58.6 -37.5 -14.4 -36.8 -49.7 16 17 A S H X S+ 0 0 12 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.889 107.8 51.4 -66.8 -41.6 -11.6 -34.8 -48.2 17 18 A E H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.935 108.4 50.2 -60.5 -49.1 -11.4 -32.5 -51.2 18 19 A L H X S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.851 112.0 49.0 -60.5 -36.0 -15.2 -31.8 -51.2 19 20 A T H X S+ 0 0 11 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.928 112.5 47.4 -66.1 -47.3 -14.9 -30.9 -47.4 20 21 A A H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.865 109.4 54.7 -62.7 -38.9 -12.0 -28.6 -48.1 21 22 A I H X S+ 0 0 17 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.938 112.3 41.7 -61.8 -49.2 -13.7 -26.9 -51.0 22 23 A N H X S+ 0 0 25 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.930 117.7 46.8 -64.6 -46.8 -16.8 -26.0 -48.9 23 24 A Q H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.956 115.4 44.6 -61.9 -50.9 -14.8 -25.0 -45.8 24 25 A Y H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.907 114.6 49.3 -62.5 -42.3 -12.3 -22.9 -47.8 25 26 A F H X S+ 0 0 18 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.921 113.1 45.9 -64.3 -44.3 -15.0 -21.2 -49.9 26 27 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 110.7 53.3 -64.4 -44.6 -17.2 -20.4 -46.9 27 28 A H H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.883 108.8 50.8 -55.7 -38.1 -14.2 -19.0 -44.9 28 29 A S H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.870 109.0 49.8 -71.2 -35.5 -13.4 -16.8 -47.9 29 30 A K H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.868 112.7 48.3 -67.5 -36.8 -17.0 -15.4 -48.0 30 31 A X H X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.900 111.1 48.8 -69.6 -43.4 -16.8 -14.7 -44.3 31 32 A Q H X>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 4,-0.6 0.910 112.9 48.8 -61.0 -43.2 -13.5 -13.0 -44.5 32 33 A D H ><5S+ 0 0 42 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.936 110.7 51.1 -59.8 -45.0 -14.8 -10.9 -47.4 33 34 A N H 3<5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.6 55.0 -65.6 -31.7 -17.9 -10.1 -45.3 34 35 A W H 3<5S- 0 0 98 -4,-1.9 -1,-0.3 125,-0.1 -2,-0.2 0.585 124.8-100.5 -76.2 -12.7 -15.8 -9.0 -42.3 35 36 A G T <<5S+ 0 0 11 -3,-1.2 2,-2.2 -4,-0.6 123,-0.5 0.252 89.2 123.8 109.9 -10.7 -14.0 -6.5 -44.5 36 37 A F >< + 0 0 39 -5,-1.8 4,-2.3 1,-0.2 117,-0.2 -0.370 27.1 151.8 -81.2 62.5 -10.8 -8.6 -45.0 37 38 A T H > + 0 0 18 -2,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.758 63.4 54.6 -70.6 -30.1 -11.2 -8.4 -48.8 38 39 A E H > S+ 0 0 109 114,-1.6 4,-0.7 -3,-0.3 -1,-0.2 0.925 113.5 41.5 -70.8 -44.8 -7.5 -8.7 -49.7 39 40 A L H >> S+ 0 0 10 113,-1.2 4,-2.0 1,-0.2 3,-0.9 0.893 107.9 62.5 -66.4 -41.4 -7.1 -11.9 -47.7 40 41 A A H 3X S+ 0 0 3 -4,-2.3 4,-2.4 112,-0.3 -1,-0.2 0.857 97.2 56.5 -54.6 -40.6 -10.5 -13.3 -48.9 41 42 A A H 3X S+ 0 0 65 -4,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.835 108.1 49.8 -62.1 -32.6 -9.3 -13.3 -52.6 42 43 A H H S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 3,-0.3 0.906 111.3 47.7 -56.7 -43.5 -11.5 -43.0 -60.3 62 63 A L H ><5S+ 0 0 15 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.850 107.4 55.3 -69.5 -33.7 -13.6 -43.1 -63.5 63 64 A L H 3<5S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.796 106.9 52.6 -68.4 -25.9 -10.7 -44.3 -65.6 64 65 A L T 3<5S- 0 0 17 -4,-1.5 -62,-2.2 -3,-0.3 -1,-0.3 0.247 122.0-106.4 -93.1 12.4 -10.4 -47.2 -63.2 65 66 A D T < 5S+ 0 0 122 -3,-1.4 -3,-0.2 -64,-0.2 2,-0.1 0.721 76.8 136.5 69.3 23.0 -14.0 -48.2 -63.5 66 67 A G < - 0 0 16 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.0 -0.415 57.2-119.7 -91.4 172.6 -14.8 -46.8 -60.0 67 68 A L - 0 0 95 -2,-0.1 2,-0.1 -3,-0.1 -5,-0.0 -0.960 27.3-130.7-114.3 115.4 -17.8 -44.7 -58.9 68 69 A P - 0 0 2 0, 0.0 2,-0.9 0, 0.0 -57,-0.0 -0.422 18.3-129.0 -64.6 133.6 -16.8 -41.2 -57.5 69 70 A N + 0 0 44 1,-0.1 -11,-0.0 -2,-0.1 -2,-0.0 -0.757 42.8 155.3 -88.2 104.9 -18.4 -40.5 -54.2 70 71 A Y + 0 0 9 -2,-0.9 -1,-0.1 1,-0.1 114,-0.1 0.107 65.2 70.1-109.4 18.6 -20.1 -37.1 -54.4 71 72 A Q S S+ 0 0 74 113,-0.1 2,-0.4 1,-0.0 164,-0.2 0.721 82.2 72.9-107.3 -32.2 -22.6 -37.9 -51.6 72 73 A R - 0 0 111 0, 0.0 2,-0.3 0, 0.0 -54,-0.1 -0.743 56.8-179.5 -95.6 132.2 -20.4 -38.0 -48.5 73 74 A I - 0 0 32 -2,-0.4 -57,-0.1 160,-0.1 -58,-0.1 -0.956 21.5-124.5-129.1 149.0 -19.0 -34.8 -47.0 74 75 A G - 0 0 24 -59,-0.6 2,-0.6 -2,-0.3 -58,-0.0 -0.204 42.0 -77.5 -82.8 178.9 -16.8 -34.4 -43.9 75 76 A S - 0 0 102 -2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.688 45.3-139.1 -81.3 121.4 -17.4 -32.3 -40.9 76 77 A L - 0 0 19 -2,-0.6 2,-0.6 -3,-0.1 -56,-0.1 -0.592 8.3-157.6 -75.0 135.7 -16.7 -28.6 -41.5 77 78 A R - 0 0 121 -2,-0.3 2,-0.6 11,-0.1 14,-0.1 -0.959 14.3-164.7-111.3 111.8 -15.0 -26.7 -38.8 78 79 A I - 0 0 63 -2,-0.6 2,-0.1 10,-0.0 7,-0.1 -0.859 8.0-143.4-103.7 117.4 -15.9 -23.1 -39.3 79 80 A G - 0 0 2 -2,-0.6 3,-0.0 1,-0.1 6,-0.0 -0.459 7.5-157.1 -76.2 149.2 -13.8 -20.5 -37.5 80 81 A Q S S+ 0 0 106 -2,-0.1 2,-0.3 -50,-0.0 -1,-0.1 0.393 80.4 39.2-106.6 -1.7 -15.4 -17.3 -36.2 81 82 A T S > S- 0 0 65 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.928 92.6-104.3-137.2 165.1 -12.1 -15.4 -36.2 82 83 A L H > S+ 0 0 11 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.927 120.4 49.2 -54.7 -49.7 -9.2 -15.2 -38.6 83 84 A R H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 110.3 50.5 -59.1 -43.7 -6.9 -17.3 -36.3 84 85 A E H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 109.0 53.0 -61.5 -37.2 -9.6 -19.9 -35.9 85 86 A Q H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.942 109.7 46.7 -65.1 -46.4 -10.0 -20.1 -39.6 86 87 A F H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.910 115.3 46.7 -60.8 -43.1 -6.3 -20.7 -40.2 87 88 A E H X S+ 0 0 97 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.869 112.7 50.2 -67.0 -37.2 -6.3 -23.3 -37.5 88 89 A A H X S+ 0 0 12 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.907 113.1 45.0 -67.0 -42.4 -9.4 -25.0 -38.9 89 90 A D H X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.892 109.5 55.7 -70.0 -39.0 -8.0 -25.1 -42.4 90 91 A L H X S+ 0 0 14 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.842 100.7 60.8 -60.0 -35.2 -4.6 -26.3 -41.3 91 92 A A H X S+ 0 0 23 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.863 103.4 48.6 -63.6 -39.5 -6.4 -29.3 -39.5 92 93 A I H X S+ 0 0 11 -4,-1.0 4,-1.8 -3,-0.4 -1,-0.2 0.914 109.5 54.2 -62.7 -43.7 -7.8 -30.6 -42.8 93 94 A E H X S+ 0 0 2 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.897 106.2 49.5 -61.2 -44.4 -4.4 -30.3 -44.4 94 95 A Y H X S+ 0 0 86 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.903 108.1 54.7 -62.8 -40.7 -2.6 -32.4 -41.8 95 96 A D H X S+ 0 0 74 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.882 105.4 53.8 -59.0 -37.7 -5.3 -35.1 -42.2 96 97 A V H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.914 110.4 46.0 -63.7 -41.8 -4.6 -35.1 -45.9 97 98 A L H X S+ 0 0 17 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.921 109.2 54.8 -65.9 -44.3 -0.9 -35.8 -45.2 98 99 A N H < S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.801 117.2 37.2 -57.8 -31.8 -1.6 -38.4 -42.6 99 100 A R H X S+ 0 0 65 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.828 117.5 47.2 -90.4 -35.6 -3.7 -40.3 -45.1 100 101 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.805 100.0 63.8 -83.7 -31.6 -1.8 -39.8 -48.3 101 102 A K H X S+ 0 0 117 -4,-2.2 4,-1.3 -5,-0.2 3,-0.2 0.975 113.4 33.8 -57.5 -56.2 1.7 -40.6 -47.2 102 103 A P H > S+ 0 0 79 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 115.6 61.9 -65.8 -34.9 0.9 -44.2 -46.4 103 104 A G H X S+ 0 0 6 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.878 99.5 52.5 -56.2 -43.4 -1.5 -44.2 -49.3 104 105 A I H X S+ 0 0 23 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.924 107.4 51.3 -62.3 -44.3 1.2 -43.5 -51.9 105 106 A V H X S+ 0 0 88 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.891 110.9 49.2 -61.1 -39.9 3.4 -46.4 -50.7 106 107 A X H X S+ 0 0 42 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.921 106.3 55.5 -65.1 -45.8 0.5 -48.7 -51.0 107 108 A C H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 -1,-0.2 0.873 109.4 47.4 -54.7 -41.0 -0.4 -47.5 -54.5 108 109 A R H ><5S+ 0 0 114 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.809 107.9 55.9 -72.5 -29.7 3.1 -48.4 -55.6 109 110 A E H 3<5S+ 0 0 153 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.772 106.4 52.1 -68.8 -25.7 2.9 -51.8 -53.9 110 111 A K T 3<5S- 0 0 75 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.299 120.2-107.7 -94.9 7.8 -0.2 -52.5 -56.0 111 112 A Q T < 5S+ 0 0 167 -3,-1.0 2,-0.8 -5,-0.1 -3,-0.2 0.654 80.6 128.7 76.7 15.7 1.5 -51.6 -59.3 112 113 A D >< + 0 0 20 -5,-2.6 4,-1.3 -6,-0.2 -1,-0.1 -0.692 16.9 155.8-108.2 82.1 -0.5 -48.3 -59.7 113 114 A T H > S+ 0 0 74 -2,-0.8 4,-3.3 2,-0.2 5,-0.2 0.835 70.2 59.2 -75.3 -33.6 2.1 -45.6 -60.4 114 115 A T H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 109.0 43.8 -63.8 -43.7 -0.3 -43.2 -62.1 115 116 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.861 115.0 52.1 -64.3 -36.0 -2.6 -43.0 -59.0 116 117 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.930 108.7 47.8 -66.9 -46.4 0.6 -42.7 -56.9 117 118 A V H X S+ 0 0 77 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.897 109.1 55.0 -62.4 -42.0 2.0 -39.8 -59.0 118 119 A L H X S+ 0 0 29 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.926 112.8 42.5 -53.4 -46.8 -1.4 -38.0 -58.8 119 120 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.834 108.9 58.1 -73.5 -33.8 -1.2 -38.3 -55.0 120 121 A E H X S+ 0 0 75 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.930 106.7 49.6 -57.9 -45.1 2.4 -37.3 -54.9 121 122 A K H X S+ 0 0 52 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.875 110.0 50.7 -62.2 -38.2 1.5 -34.1 -56.7 122 123 A I H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.902 107.7 52.2 -67.7 -41.9 -1.3 -33.4 -54.2 123 124 A V H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 108.5 51.8 -57.6 -46.6 1.0 -34.0 -51.2 124 125 A A H X S+ 0 0 43 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.918 111.4 47.9 -55.4 -45.7 3.5 -31.5 -52.7 125 126 A D H X S+ 0 0 48 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.916 112.4 46.5 -62.0 -47.2 0.6 -28.9 -53.1 126 127 A E H X S+ 0 0 3 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.876 105.3 60.3 -68.0 -36.9 -0.7 -29.3 -49.5 127 128 A E H X S+ 0 0 99 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.900 107.5 47.3 -55.0 -39.5 2.7 -29.1 -48.0 128 129 A E H X S+ 0 0 142 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.857 112.1 48.5 -71.3 -35.5 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53.2 -63.5 -35.2 3.5 -17.0 -36.9 139 140 A L H X S+ 0 0 62 -4,-1.9 4,-3.2 2,-0.2 5,-0.5 0.860 102.1 57.3 -70.7 -35.3 2.9 -13.5 -38.4 140 141 A X H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.890 109.8 45.5 -61.5 -38.8 -0.1 -12.9 -36.1 141 142 A D H < S+ 0 0 110 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.851 116.6 44.9 -71.1 -36.3 2.2 -13.4 -33.1 142 143 A K H < S+ 0 0 159 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.913 127.4 27.4 -74.7 -42.2 5.0 -11.3 -34.5 143 144 A L H < S- 0 0 73 -4,-3.2 4,-0.3 -5,-0.1 -3,-0.2 0.754 110.6-115.9 -88.8 -26.8 2.8 -8.4 -35.6 144 145 A G X - 0 0 24 -4,-1.9 4,-2.2 -5,-0.5 5,-0.2 -0.008 31.3 -89.7 91.1 149.2 -0.1 -8.8 -33.2 145 146 A E H > S+ 0 0 87 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 125.1 50.7 -63.8 -43.6 -3.6 -9.6 -34.5 146 147 A E H > S+ 0 0 159 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 113.6 44.7 -58.2 -49.4 -4.7 -6.0 -35.0 147 148 A L H > S+ 0 0 99 -4,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.852 114.9 48.5 -67.3 -36.4 -1.6 -5.1 -37.0 148 149 A Y H >< S+ 0 0 9 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 0.926 109.2 52.8 -67.4 -45.2 -1.8 -8.3 -39.1 149 150 A S H >< S+ 0 0 25 -4,-2.8 3,-2.0 1,-0.3 4,-0.3 0.847 100.3 62.1 -58.6 -36.2 -5.5 -7.8 -39.8 150 151 A A H >< S+ 0 0 51 -4,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.756 97.4 58.7 -64.1 -23.9 -4.8 -4.3 -41.1 151 152 A Q T << S+ 0 0 131 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.539 100.0 59.3 -78.6 -7.1 -2.6 -5.9 -43.8 152 153 A C T < S+ 0 0 9 -3,-2.0 -114,-1.6 -4,-0.3 -113,-1.2 0.449 93.6 78.3-103.4 -2.6 -5.7 -7.9 -45.0 153 154 A V S < S- 0 0 40 -3,-0.7 -117,-0.1 -4,-0.3 2,-0.1 -0.607 77.5-117.6-100.4 164.3 -7.9 -4.9 -45.7 154 155 A S - 0 0 22 -119,-0.4 -1,-0.1 -2,-0.2 -2,-0.1 -0.372 43.1 -80.0 -87.9 174.9 -7.8 -2.6 -48.8 155 156 A R S S+ 0 0 249 1,-0.3 3,-0.0 -2,-0.1 0, 0.0 -0.927 128.6 17.8-121.8 105.5 -7.1 1.2 -48.7 156 157 A P S S- 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.625 112.8-112.6 -82.0 168.4 -9.6 2.3 -47.9 157 158 A P + 0 0 88 0, 0.0 2,-0.1 0, 0.0 -121,-0.1 -0.249 42.5 175.3 -59.1 148.6 -11.3 -0.7 -46.4 158 159 A T - 0 0 80 -123,-0.5 2,-0.3 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5,-0.2 0.932 113.6 51.2 -62.8 -46.6 -36.7 -16.3 -44.9 169 8 B L H X S+ 0 0 30 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.894 109.6 49.8 -58.5 -41.4 -33.3 -17.4 -43.7 170 9 B R H X S+ 0 0 158 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.853 111.1 49.5 -66.5 -35.1 -34.5 -21.0 -43.3 171 10 B L H X S+ 0 0 17 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.906 110.7 49.8 -68.7 -42.5 -35.9 -20.9 -46.9 172 11 B L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.925 111.9 47.3 -63.1 -46.0 -32.6 -19.5 -48.3 173 12 B N H X S+ 0 0 26 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.864 110.5 53.4 -63.5 -35.9 -30.5 -22.1 -46.5 174 13 B E H X S+ 0 0 77 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.915 110.7 45.6 -64.7 -43.5 -32.9 -24.8 -47.7 175 14 B Q H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.856 108.9 57.7 -67.0 -35.6 -32.5 -23.6 -51.3 176 15 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.902 104.1 51.4 -59.6 -43.2 -28.7 -23.5 -50.8 177 16 B T H X S+ 0 0 14 -4,-2.0 4,-1.9 1,-0.2 59,-0.6 0.883 108.4 52.3 -60.4 -39.3 -28.7 -27.2 -49.8 178 17 B S H X S+ 0 0 11 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.885 107.4 52.1 -64.3 -39.1 -30.6 -27.9 -53.1 179 18 B E H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.932 108.1 50.1 -62.2 -47.6 -28.0 -26.0 -55.1 180 19 B L H X S+ 0 0 13 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.880 111.6 49.8 -60.6 -38.8 -25.1 -27.9 -53.6 181 20 B T H X S+ 0 0 10 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.962 112.1 46.5 -61.6 -53.0 -27.0 -31.2 -54.4 182 21 B A H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.862 109.4 55.3 -59.4 -38.7 -27.6 -30.1 -58.0 183 22 B I H X S+ 0 0 21 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.960 112.2 42.3 -59.6 -52.4 -24.0 -29.0 -58.4 184 23 B N H X S+ 0 0 22 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.923 117.6 46.3 -57.3 -49.9 -22.7 -32.4 -57.4 185 24 B Q H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.903 115.8 44.8 -63.3 -43.3 -25.2 -34.3 -59.4 186 25 B Y H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.909 114.8 47.8 -69.6 -42.1 -24.8 -32.2 -62.5 187 26 B F H X S+ 0 0 17 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.934 113.0 47.1 -65.7 -47.4 -21.0 -32.2 -62.4 188 27 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.943 111.9 51.2 -58.5 -47.8 -20.8 -36.0 -61.8 189 28 B H H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.905 107.7 53.3 -55.3 -41.7 -23.2 -36.6 -64.6 190 29 B S H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.895 109.7 47.6 -63.9 -38.4 -21.2 -34.4 -66.9 191 30 B K H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.874 112.1 49.8 -68.7 -38.7 -18.1 -36.5 -66.1 192 31 B X H X S+ 0 0 15 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.903 111.7 48.0 -65.2 -42.7 -19.9 -39.7 -66.7 193 32 B Q H >X>S+ 0 0 0 -4,-2.9 5,-1.7 2,-0.2 4,-0.9 0.919 112.3 49.6 -62.4 -44.5 -21.3 -38.4 -70.0 194 33 B D H ><5S+ 0 0 40 -4,-2.5 3,-0.8 1,-0.2 128,-0.2 0.923 111.4 49.9 -56.3 -45.1 -17.7 -37.4 -71.0 195 34 B N H 3<5S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.646 105.6 56.4 -73.1 -17.5 -16.5 -40.8 -70.0 196 35 B W H <<5S- 0 0 100 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.666 122.9-100.6 -85.9 -18.4 -19.1 -42.6 -72.0 197 36 B G T <<5S+ 0 0 12 -4,-0.9 2,-2.0 -3,-0.8 123,-0.5 0.235 89.9 122.0 115.0 -8.8 -18.1 -40.8 -75.2 198 37 B F >< + 0 0 41 -5,-1.7 4,-2.3 1,-0.2 117,-0.2 -0.446 27.7 151.9 -85.9 66.3 -20.9 -38.3 -75.2 199 38 B T H > + 0 0 17 -2,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.802 64.0 52.8 -72.9 -34.1 -18.4 -35.4 -75.2 200 39 B E H > S+ 0 0 66 114,-1.3 4,-0.8 -3,-0.3 -1,-0.2 0.908 114.4 43.5 -69.5 -42.0 -20.6 -32.7 -76.9 201 40 B L H >> S+ 0 0 0 113,-1.2 4,-2.0 1,-0.2 3,-0.9 0.924 108.3 59.7 -65.1 -45.5 -23.4 -33.3 -74.4 202 41 B A H 3X S+ 0 0 5 -4,-2.3 4,-2.6 112,-0.3 5,-0.2 0.866 99.3 56.6 -50.8 -43.3 -21.0 -33.4 -71.5 203 42 B A H 3X S+ 0 0 66 -4,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.859 108.0 48.7 -60.5 -35.4 -19.8 -29.9 -72.2 204 43 B H H S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 -1,-0.2 0.938 111.7 47.3 -57.6 -49.2 -27.7 -15.0 -46.3 224 63 B L H ><5S+ 0 0 13 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.906 111.4 51.5 -60.3 -41.6 -24.5 -13.4 -45.1 225 64 B L H 3<5S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.893 106.5 54.3 -61.7 -40.0 -25.9 -9.9 -45.7 226 65 B L T 3<5S- 0 0 17 -4,-2.4 -62,-1.4 -5,-0.2 -1,-0.3 0.357 120.6-113.8 -78.1 5.3 -29.0 -11.0 -43.7 227 66 B D T < 5S+ 0 0 102 -3,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.755 73.9 127.3 73.4 26.1 -26.6 -11.9 -40.9 228 67 B G < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.0 -0.408 63.9-102.1-102.5-177.2 -27.3 -15.6 -41.0 229 68 B L - 0 0 128 -2,-0.1 2,-0.2 -3,-0.1 -5,-0.0 -0.935 30.1-133.7-112.9 114.0 -25.0 -18.6 -41.3 230 69 B P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -10,-0.0 -0.434 20.0-129.7 -65.8 132.1 -24.8 -20.3 -44.8 231 70 B N + 0 0 41 -2,-0.2 -11,-0.0 1,-0.1 3,-0.0 -0.746 43.3 154.1 -90.3 104.3 -25.1 -24.1 -44.5 232 71 B Y + 0 0 11 -2,-0.9 -1,-0.1 1,-0.1 -210,-0.1 0.199 62.7 75.4-107.0 13.0 -22.3 -25.8 -46.4 233 72 B Q S S+ 0 0 71 -211,-0.1 2,-0.4 1,-0.0 -160,-0.1 0.744 81.3 73.6 -95.5 -27.4 -22.5 -29.0 -44.3 234 73 B R - 0 0 125 -3,-0.0 2,-0.4 0, 0.0 -54,-0.1 -0.772 52.1-178.8-102.1 128.6 -25.6 -30.6 -45.7 235 74 B I - 0 0 30 -2,-0.4 -57,-0.1 -164,-0.2 -58,-0.1 -0.960 22.5-132.3-117.7 142.6 -26.0 -32.3 -49.1 236 75 B G - 0 0 24 -59,-0.6 2,-0.7 -2,-0.4 -1,-0.1 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109.1 51.8 -63.0 -39.3 -32.0 -41.7 -66.4 247 86 B Q H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 109.4 48.6 -65.2 -43.5 -29.7 -38.7 -66.0 248 87 B F H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.914 115.4 45.5 -60.7 -42.3 -32.1 -36.3 -67.7 249 88 B E H X S+ 0 0 97 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.916 112.1 50.0 -68.8 -43.6 -34.9 -37.7 -65.5 250 89 B A H X S+ 0 0 10 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.900 114.2 46.0 -59.4 -41.5 -32.8 -37.5 -62.3 251 90 B D H X S+ 0 0 4 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.848 111.3 51.7 -71.5 -35.6 -31.8 -33.9 -63.1 252 91 B L H X S+ 0 0 12 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.884 103.3 60.0 -67.0 -40.0 -35.4 -32.9 -63.9 253 92 B A H X S+ 0 0 25 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.904 105.7 46.8 -55.1 -46.0 -36.6 -34.4 -60.6 254 93 B I H X S+ 0 0 8 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.837 108.3 56.1 -68.7 -31.4 -34.4 -32.0 -58.6 255 94 B E H X S+ 0 0 2 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.849 104.5 53.4 -69.0 -33.9 -35.5 -29.0 -60.7 256 95 B Y H X S+ 0 0 87 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.871 104.2 55.1 -68.5 -38.8 -39.2 -29.8 -59.9 257 96 B D H X S+ 0 0 72 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.923 105.5 54.0 -57.9 -44.1 -38.5 -29.7 -56.2 258 97 B V H X S+ 0 0 4 -4,-1.6 4,-3.2 1,-0.2 3,-0.4 0.955 109.0 46.4 -55.5 -53.6 -37.0 -26.3 -56.6 259 98 B L H X S+ 0 0 21 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.892 111.9 53.0 -56.1 -40.1 -40.1 -24.9 -58.3 260 99 B N H < S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 116.4 38.1 -66.6 -32.4 -42.2 -26.6 -55.5 261 100 B R H X S+ 0 0 52 -4,-2.1 4,-1.1 -3,-0.4 -2,-0.2 0.872 119.2 45.1 -83.6 -40.4 -40.2 -24.9 -52.8 262 101 B L H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.2 5,-0.2 0.829 99.7 66.3 -79.5 -34.2 -39.6 -21.5 -54.3 263 102 B K H X S+ 0 0 49 -4,-2.0 4,-1.1 -5,-0.3 3,-0.2 0.958 112.9 32.0 -54.1 -57.1 -43.1 -20.7 -55.6 264 103 B P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.856 115.8 64.5 -66.9 -31.3 -44.7 -20.5 -52.2 265 104 B G H X S+ 0 0 5 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.875 98.7 50.0 -58.1 -44.5 -41.4 -19.2 -50.9 266 105 B I H X S+ 0 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53.1 -57.4 -45.3 -37.2 -19.7 -60.8 286 125 B A H X S+ 0 0 24 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.906 110.5 47.2 -55.8 -44.9 -36.9 -18.1 -64.2 287 126 B D H X S+ 0 0 51 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.875 112.0 48.9 -66.2 -39.2 -33.5 -19.9 -64.8 288 127 B E H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.801 103.9 59.2 -74.7 -29.9 -34.8 -23.3 -63.7 289 128 B E H X S+ 0 0 14 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.855 106.5 49.5 -64.8 -33.5 -37.9 -23.1 -65.9 290 129 B E H X S+ 0 0 69 -4,-1.1 4,-1.8 -5,-0.2 -1,-0.2 0.829 112.4 46.8 -74.5 -33.1 -35.6 -22.8 -68.9 291 130 B H H X S+ 0 0 11 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.902 109.6 52.9 -74.1 -42.5 -33.6 -25.7 -67.8 292 131 B I H X S+ 0 0 13 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.931 110.8 49.1 -54.5 -46.0 -36.7 -27.8 -67.1 293 132 B D H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.900 110.1 50.2 -61.5 -43.9 -37.8 -27.0 -70.6 294 133 B Y H X S+ 0 0 10 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.944 114.1 45.0 -57.3 -49.6 -34.4 -27.9 -72.0 295 134 B L H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.898 112.7 49.0 -64.2 -45.4 -34.4 -31.3 -70.2 296 135 B E H X S+ 0 0 66 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.857 110.0 53.8 -62.7 -36.2 -38.0 -32.2 -71.1 297 136 B T H X S+ 0 0 4 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.849 105.9 52.3 -66.2 -37.1 -37.2 -31.3 -74.7 298 137 B Q H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.915 109.4 49.0 -65.3 -42.5 -34.3 -33.7 -74.7 299 138 B L H X S+ 0 0 20 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.881 111.4 50.3 -62.3 -39.3 -36.5 -36.5 -73.4 300 139 B E H X S+ 0 0 86 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.875 108.7 52.2 -65.8 -40.2 -39.0 -35.7 -76.1 301 140 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.5 0.824 102.5 59.1 -66.1 -33.5 -36.3 -35.8 -78.8 302 141 B X H X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.884 108.9 44.6 -64.3 -36.9 -35.2 -39.2 -77.6 303 142 B D H < S+ 0 0 110 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.872 116.4 46.0 -73.3 -38.4 -38.6 -40.6 -78.4 304 143 B K H < S+ 0 0 81 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.907 127.2 26.2 -71.5 -42.9 -38.9 -38.8 -81.7 305 144 B L H < S- 0 0 6 -4,-2.9 4,-0.3 1,-0.2 -3,-0.2 0.777 111.2-115.9 -90.7 -29.0 -35.4 -39.7 -83.0 306 145 B G X - 0 0 25 -4,-1.8 4,-2.0 -5,-0.5 5,-0.2 -0.179 30.8 -84.4 99.8 156.3 -34.8 -42.9 -81.0 307 146 B E H > S+ 0 0 93 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 125.3 44.5 -64.1 -50.2 -32.2 -43.5 -78.4 308 147 B E H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 115.1 47.8 -60.1 -49.7 -29.3 -44.4 -80.7 309 148 B L H > S+ 0 0 39 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.875 114.7 46.1 -62.8 -39.2 -30.0 -41.7 -83.2 310 149 B Y H >< S+ 0 0 0 -4,-2.0 3,-1.2 -8,-0.2 -1,-0.2 0.916 110.9 53.5 -66.8 -42.5 -30.3 -39.1 -80.4 311 150 B S H >< S+ 0 0 25 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.859 100.9 59.8 -61.0 -37.6 -27.1 -40.4 -78.8 312 151 B A H >< S+ 0 0 42 -4,-2.3 3,-0.7 1,-0.3 -1,-0.3 0.690 96.4 61.7 -67.4 -18.2 -25.1 -40.1 -82.0 313 152 B Q T << S+ 0 0 8 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.472 99.7 58.3 -82.1 -0.8 -25.9 -36.3 -82.0 314 153 B C T < S+ 0 0 0 -3,-1.9 -114,-1.3 166,-0.2 -113,-1.2 0.347 93.5 76.4-112.4 1.7 -24.0 -36.2 -78.7 315 154 B V S < S- 0 0 25 -3,-0.7 -117,-0.1 -117,-0.2 2,-0.1 -0.674 78.2-116.2-105.1 165.4 -20.6 -37.5 -79.8 316 155 B S - 0 0 25 -119,-0.4 -2,-0.1 -2,-0.2 -1,-0.1 -0.426 42.5 -79.5 -90.9 174.0 -17.9 -35.8 -81.9 317 156 B R S S+ 0 0 165 1,-0.2 3,-0.0 -2,-0.1 0, 0.0 -0.952 128.9 19.7-119.8 109.9 -16.7 -36.7 -85.3 318 157 B P S S- 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.677 114.7-111.2 -74.5 168.4 -14.9 -38.9 -85.0 319 158 B P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.311 44.7-178.3 -59.0 147.7 -16.2 -39.9 -81.6 320 159 B T - 0 0 77 -123,-0.5 2,-0.3 -3,-0.0 -121,-0.1 -0.470 15.7-118.1-130.8-159.1 -13.6 -39.3 -78.8 321 160 B S - 0 0 66 2,-0.4 -126,-0.2 -2,-0.2 -125,-0.1 -0.837 37.7 -88.8-140.0 179.9 -13.2 -39.8 -75.1 322 161 B A 0 0 50 -2,-0.3 -127,-0.1 -128,-0.2 -128,-0.1 0.742 360.0 360.0 -62.5 -22.0 -12.6 -37.9 -71.8 323 162 B W 0 0 116 -128,-0.1 -2,-0.4 0, 0.0 -128,-0.0 0.157 360.0 360.0-134.0 360.0 -8.9 -38.1 -72.5 324 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 325 2 C Q 0 0 179 0, 0.0 2,-0.3 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 -35.1 -55.0 7.0 -109.4 326 3 C G - 0 0 16 62,-1.3 59,-0.0 59,-0.1 62,-0.0 -0.733 360.0 -98.0 -95.9 144.5 -54.6 3.3 -109.4 327 4 C D > - 0 0 52 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.372 28.0-133.2 -61.3 130.6 -56.9 0.8 -111.2 328 5 C P H > S+ 0 0 96 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.799 105.2 49.9 -59.2 -33.9 -59.5 -0.6 -108.7 329 6 C D H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.896 110.4 48.6 -72.9 -42.5 -58.9 -4.2 -109.9 330 7 C V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 111.6 51.8 -59.7 -42.3 -55.2 -3.9 -109.6 331 8 C L H X S+ 0 0 30 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.834 107.6 50.6 -65.5 -35.1 -55.7 -2.5 -106.1 332 9 C R H X S+ 0 0 125 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.859 110.7 50.8 -71.3 -33.4 -58.0 -5.4 -105.1 333 10 C L H X S+ 0 0 13 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.924 110.1 48.4 -66.2 -47.1 -55.3 -7.8 -106.3 334 11 C L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.889 112.3 49.1 -61.3 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0.919 106.9 52.0 -60.7 -46.2 -40.8 -15.2 -124.8 753 106 E V H X S+ 0 0 85 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.920 110.6 49.0 -58.1 -45.1 -44.3 -14.1 -125.9 754 107 E X H X S+ 0 0 62 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.939 105.3 56.4 -60.5 -49.1 -45.4 -17.7 -125.6 755 108 E C H <>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 -1,-0.2 0.890 110.3 46.4 -49.4 -42.6 -44.0 -18.2 -122.1 756 109 E R H ><5S+ 0 0 45 -4,-1.9 3,-1.2 3,-0.2 -1,-0.2 0.871 109.9 52.2 -71.8 -36.2 -46.0 -15.2 -121.0 757 110 E E H 3<5S+ 0 0 151 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.858 109.6 50.4 -62.8 -36.1 -49.2 -16.5 -122.7 758 111 E K T 3<5S- 0 0 80 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.337 119.4-118.5 -83.7 5.5 -48.6 -19.7 -120.8 759 112 E Q T < 5S+ 0 0 71 -3,-1.2 2,-0.7 -5,-0.2 -3,-0.2 0.754 73.3 131.7 63.4 28.7 -48.3 -17.6 -117.7 760 113 E D >< + 0 0 14 -5,-3.1 4,-1.4 -6,-0.2 -1,-0.2 -0.782 19.4 161.8-107.1 84.7 -44.7 -18.6 -116.9 761 114 E T H > + 0 0 6 -2,-0.7 4,-3.1 2,-0.2 5,-0.2 0.813 68.2 61.0 -76.0 -30.6 -43.1 -15.2 -116.3 762 115 E T H > 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360.0 360.0 0.0 0.0 0.0 811 2 F Q 0 0 190 0, 0.0 63,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.5 3.7 -32.3 -137.3 812 3 F G - 0 0 29 61,-0.0 110,-0.0 64,-0.0 59,-0.0 0.666 360.0 -98.4 89.5 115.8 2.0 -34.9 -135.1 813 4 F D > - 0 0 50 1,-0.1 4,-2.4 107,-0.1 5,-0.2 -0.397 28.7-132.6 -62.2 135.5 1.6 -38.6 -135.8 814 5 F P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.827 106.9 50.2 -63.7 -33.8 -1.8 -39.4 -137.2 815 6 F D H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.877 110.3 50.0 -71.2 -38.1 -2.3 -42.3 -134.8 816 7 F V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 110.0 50.2 -65.3 -43.7 -1.4 -40.1 -131.8 817 8 F L H X S+ 0 0 29 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.863 109.0 52.1 -63.8 -36.4 -3.8 -37.4 -132.9 818 9 F R H X S+ 0 0 148 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.883 110.2 48.6 -66.9 -39.0 -6.6 -39.9 -133.2 819 10 F L H X S+ 0 0 19 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.926 111.9 49.2 -64.8 -45.1 -5.9 -41.1 -129.7 820 11 F L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 111.9 47.8 -60.6 -46.5 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0.905 109.7 48.8 -62.1 -41.4 -20.2 -47.5 -103.2 948 139 F E H X S+ 0 0 37 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.843 107.7 56.0 -65.3 -34.3 -18.6 -49.6 -100.5 949 140 F L H X S+ 0 0 61 -4,-1.9 4,-2.9 1,-0.2 5,-0.5 0.856 101.3 55.9 -68.5 -35.8 -19.7 -47.0 -97.9 950 141 F X H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.881 109.9 47.5 -61.8 -37.3 -23.3 -47.3 -99.0 951 142 F D H < S+ 0 0 118 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.897 115.1 44.3 -69.3 -42.2 -23.1 -51.0 -98.3 952 143 F K H < S+ 0 0 169 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.890 128.7 25.6 -72.1 -40.5 -21.4 -50.5 -94.9 953 144 F L H < S- 0 0 77 -4,-2.9 4,-0.3 -5,-0.1 -3,-0.2 0.766 110.5-114.7 -91.8 -29.1 -23.7 -47.7 -93.6 954 145 F G X - 0 0 25 -4,-2.0 4,-2.2 -5,-0.5 5,-0.2 -0.081 31.7 -85.7 96.8 151.8 -26.8 -48.4 -95.7 955 146 F E H > S+ 0 0 87 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.934 125.0 46.5 -59.3 -53.2 -28.2 -46.1 -98.3 956 147 F E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 114.7 46.4 -55.7 -51.2 -30.3 -43.9 -96.0 957 148 F L H 4 S+ 0 0 72 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