==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-FEB-11 3QW0 . COMPND 2 MOLECULE: CYTOCHROME CB562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.N.SALGADO,F.A.TEZCAN . 424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 81.6 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 . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 1 2 0 0 0 0 1 5 2 0 0 0 2 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 90 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 21.8 -8.5 10.5 2 2 A D > - 0 0 83 1,-0.1 4,-2.4 41,-0.0 5,-0.1 -0.346 360.0-101.7 -83.6 173.9 22.0 -5.6 13.0 3 3 A L H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 119.7 51.6 -65.2 -39.6 20.6 -2.2 12.5 4 4 A E H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 111.0 48.5 -63.2 -43.6 23.9 -0.5 11.5 5 5 A D H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.904 111.1 50.0 -63.6 -39.7 24.5 -3.2 8.9 6 6 A N H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.912 109.7 52.1 -62.9 -39.4 21.0 -2.8 7.5 7 7 A M H X S+ 0 0 56 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.876 108.3 50.3 -61.9 -43.4 21.6 1.0 7.4 8 8 A E H X S+ 0 0 113 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.925 110.9 49.8 -60.4 -44.9 24.8 0.4 5.4 9 9 A T H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.915 111.4 48.6 -61.4 -44.8 23.0 -1.8 3.0 10 10 A L H X S+ 0 0 15 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.924 116.0 43.4 -59.4 -42.5 20.2 0.8 2.6 11 11 A N H X S+ 0 0 81 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.957 111.4 52.1 -69.8 -48.6 22.7 3.5 2.0 12 12 A D H X S+ 0 0 103 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.886 113.9 44.8 -56.5 -38.1 25.0 1.6 -0.3 13 13 A N H X S+ 0 0 16 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.808 105.8 58.2 -83.7 -27.0 22.1 0.6 -2.6 14 14 A L H X S+ 0 0 6 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.934 108.2 48.9 -61.6 -42.3 20.6 4.0 -2.6 15 15 A K H X S+ 0 0 60 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.837 107.9 54.0 -64.3 -37.4 24.0 5.2 -4.1 16 16 A V H X S+ 0 0 48 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.937 109.6 49.0 -58.2 -46.1 23.9 2.3 -6.7 17 17 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.909 109.5 51.1 -59.7 -46.9 20.4 3.5 -7.7 18 18 A E H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.8 40.2 -59.6 -36.7 21.6 7.1 -8.1 19 19 A K H 3< S+ 0 0 169 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.537 92.2 113.1 -86.2 -13.3 24.5 6.1 -10.2 20 20 A A << - 0 0 7 -4,-1.0 3,-0.1 -3,-0.6 -3,-0.0 -0.243 44.2-169.9 -73.2 147.3 22.7 3.5 -12.3 21 21 A D + 0 0 141 1,-0.1 2,-0.3 64,-0.0 -1,-0.1 0.190 69.2 47.4-116.5 18.9 22.1 3.9 -16.0 22 22 A N S > S- 0 0 59 1,-0.1 4,-1.5 62,-0.1 3,-0.2 -0.997 76.9-118.3-160.1 155.7 19.7 1.0 -16.4 23 23 A A H > S+ 0 0 13 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.843 105.9 61.1 -70.4 -34.9 16.7 -0.8 -14.9 24 24 A A H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 106.6 45.8 -60.2 -44.8 18.3 -4.1 -14.1 25 25 A Q H > S+ 0 0 88 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 113.4 50.0 -67.8 -36.6 20.7 -2.4 -11.7 26 26 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.931 110.2 51.0 -68.2 -44.2 18.0 -0.3 -10.1 27 27 A K H X S+ 0 0 74 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.932 109.9 48.2 -52.5 -52.0 15.8 -3.4 -9.6 28 28 A D H X S+ 0 0 58 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.909 112.5 48.5 -62.6 -42.1 18.5 -5.4 -7.9 29 29 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.916 111.3 50.3 -64.4 -38.7 19.4 -2.5 -5.6 30 30 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 107.7 54.4 -67.3 -42.7 15.7 -1.9 -4.6 31 31 A T H X S+ 0 0 16 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.920 108.9 47.0 -52.6 -49.4 15.3 -5.6 -3.9 32 32 A K H X S+ 0 0 103 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.860 110.2 53.6 -65.5 -33.6 18.3 -5.5 -1.5 33 33 A M H X S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.908 105.4 54.3 -62.8 -40.3 16.9 -2.4 0.2 34 34 A A H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.890 110.0 47.2 -56.0 -41.8 13.5 -4.2 0.7 35 35 A A H X S+ 0 0 38 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.935 112.8 47.9 -72.6 -43.9 15.3 -7.0 2.5 36 36 A A H X S+ 0 0 3 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.892 112.6 49.3 -61.6 -40.6 17.4 -4.7 4.6 37 37 A A H < S+ 0 0 0 -4,-3.0 3,-0.5 2,-0.2 4,-0.4 0.956 111.9 47.3 -69.0 -43.1 14.3 -2.6 5.6 38 38 A A H >< S+ 0 0 3 -4,-2.8 3,-1.3 1,-0.2 4,-0.2 0.906 111.2 53.0 -61.5 -39.1 12.2 -5.7 6.5 39 39 A D H 3< S+ 0 0 50 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.771 104.6 55.7 -65.5 -25.4 15.2 -7.0 8.6 40 40 A A T >< S+ 0 0 1 -4,-1.3 3,-1.7 -3,-0.5 -1,-0.2 0.567 80.9 98.7 -81.4 -1.3 15.5 -3.7 10.5 41 41 A W T < S+ 0 0 6 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.803 87.0 36.1 -55.8 -46.3 11.8 -4.0 11.6 42 42 A S T 3 S+ 0 0 89 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.252 89.6 122.0 -98.1 5.7 12.4 -5.4 15.0 43 43 A A < - 0 0 22 -3,-1.7 -3,-0.0 -4,-0.1 -41,-0.0 -0.364 52.5-144.6 -69.8 147.8 15.6 -3.5 15.9 44 44 A T - 0 0 72 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.962 18.2-138.5-112.1 121.8 15.8 -1.2 18.9 45 45 A P > - 0 0 6 0, 0.0 3,-2.9 0, 0.0 4,-0.2 -0.474 21.8-111.4 -79.9 153.5 17.9 1.9 18.3 46 46 A P G > S+ 0 0 97 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.852 115.9 58.4 -50.6 -42.3 20.3 3.1 21.0 47 47 A K G 3 S+ 0 0 132 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.631 111.8 41.2 -67.6 -10.2 18.3 6.2 21.7 48 48 A L G X S+ 0 0 9 -3,-2.9 3,-1.9 1,-0.1 -1,-0.3 0.177 78.4 108.6-116.5 14.6 15.2 4.1 22.5 49 49 A E T < S+ 0 0 141 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.709 79.4 54.0 -69.3 -15.0 17.0 1.4 24.5 50 50 A D T 3 S+ 0 0 130 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.391 95.9 92.5 -94.3 4.6 15.3 2.8 27.7 51 51 A K S < S- 0 0 79 -3,-1.9 -3,-0.1 1,-0.1 0, 0.0 -0.607 83.2-101.9-101.5 155.7 11.8 2.6 26.3 52 52 A S > - 0 0 67 -2,-0.2 3,-1.8 1,-0.1 6,-0.4 -0.395 28.7-123.2 -64.8 144.1 9.2 -0.2 26.4 53 53 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.804 117.1 47.3 -55.1 -29.1 8.9 -2.3 23.2 54 54 A D T 3 S+ 0 0 110 4,-0.1 -2,-0.1 5,-0.0 298,-0.0 0.153 88.2 127.3 -92.7 11.5 5.1 -1.2 23.2 55 55 A S S <> S- 0 0 10 -3,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.335 74.5-116.3 -67.5 160.2 6.0 2.5 23.8 56 56 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 118.8 56.2 -60.4 -36.2 4.6 5.2 21.5 57 57 A E H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.914 109.3 43.3 -57.7 -52.3 8.2 5.9 20.6 58 58 A M H > S+ 0 0 6 -6,-0.4 4,-2.6 2,-0.2 5,-0.2 0.873 112.8 52.0 -64.6 -41.4 8.8 2.2 19.5 59 59 A H H X S+ 0 0 25 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.931 113.0 46.6 -59.4 -41.5 5.5 2.1 17.6 60 60 A D H X S+ 0 0 27 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.868 110.2 52.9 -69.1 -38.3 6.5 5.3 15.8 61 61 A F H X S+ 0 0 7 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.951 112.7 43.2 -59.4 -49.6 9.9 3.9 15.0 62 62 A R H >X S+ 0 0 28 -4,-2.6 4,-1.8 1,-0.2 3,-0.6 0.891 106.7 61.5 -66.8 -35.4 8.5 0.8 13.5 63 63 A H H 3X S+ 0 0 19 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.884 98.2 59.1 -58.9 -36.2 5.8 2.9 11.6 64 64 A G H 3X S+ 0 0 20 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.858 104.9 50.5 -58.7 -37.0 8.9 4.7 9.8 65 65 A F H S+ 0 0 15 -4,-1.6 5,-3.0 1,-0.2 -1,-0.2 0.885 111.6 46.5 -65.8 -41.6 8.5 1.5 -11.5 79 79 A A H ><5S+ 0 0 1 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.915 108.5 54.4 -67.9 -42.2 11.8 -0.2 -12.1 80 80 A N H 3<5S+ 0 0 42 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.1 54.1 -59.8 -26.6 10.2 -3.5 -13.3 81 81 A E T 3<5S- 0 0 29 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.345 119.2-115.2 -85.3 6.3 8.3 -1.3 -15.8 82 82 A C T < 5 + 0 0 93 -3,-2.1 2,-1.5 1,-0.2 -3,-0.2 0.808 68.0 146.2 53.0 36.3 11.7 0.1 -17.0 83 83 A K >< + 0 0 40 -5,-3.0 4,-2.8 1,-0.2 5,-0.3 -0.617 19.3 169.4 -93.1 77.8 10.8 3.5 -15.8 84 84 A V H > S+ 0 0 35 -2,-1.5 4,-2.2 1,-0.2 5,-0.2 0.953 70.6 40.8 -63.3 -55.0 14.4 4.1 -14.9 85 85 A K H > S+ 0 0 173 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.884 115.4 51.2 -57.7 -40.6 14.2 7.9 -14.2 86 86 A E H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 110.9 49.4 -69.0 -36.0 10.9 7.6 -12.4 87 87 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.876 110.7 50.7 -69.1 -35.7 12.3 4.8 -10.1 88 88 A Q H X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.894 110.1 49.2 -68.7 -37.1 15.4 6.9 -9.4 89 89 A A H X S+ 0 0 44 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.916 108.8 52.1 -70.7 -41.7 13.2 9.8 -8.5 90 90 A A H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.880 110.3 49.6 -56.7 -42.0 11.1 7.6 -6.2 91 91 A A H X S+ 0 0 1 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.911 111.0 49.7 -68.1 -40.0 14.3 6.5 -4.5 92 92 A E H >< S+ 0 0 100 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.949 109.3 52.7 -57.6 -46.7 15.4 10.1 -4.1 93 93 A Q H >< S+ 0 0 50 -4,-3.0 3,-1.8 1,-0.2 4,-0.3 0.827 99.4 61.1 -58.2 -41.7 12.0 10.9 -2.6 94 94 A L H >X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.3 3,-1.3 0.686 81.3 83.3 -71.1 -9.7 12.1 8.2 0.1 95 95 A K H S+ 0 0 40 -3,-1.8 4,-2.1 -4,-0.3 -1,-0.3 0.876 100.2 49.6 -57.0 -36.6 12.8 12.1 3.3 97 97 A T H <> S+ 0 0 9 -3,-1.3 4,-1.9 -4,-0.3 -2,-0.2 0.902 111.9 47.1 -68.0 -48.4 11.6 9.0 5.2 98 98 A C H X S+ 0 0 31 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.959 113.7 49.3 -56.2 -46.5 15.3 8.1 6.1 99 99 A N H X S+ 0 0 88 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.881 108.8 52.6 -63.8 -40.7 15.9 11.7 7.1 100 100 A A H X S+ 0 0 30 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.882 110.3 45.3 -65.1 -44.3 12.8 11.8 9.3 101 101 A C H X S+ 0 0 27 -4,-1.9 4,-3.0 1,-0.2 3,-0.5 0.945 113.0 52.5 -61.8 -45.5 13.5 8.8 11.3 102 102 A H H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.889 106.4 51.6 -57.5 -46.9 17.2 9.8 11.8 103 103 A Q H < S+ 0 0 179 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 119.8 35.1 -66.1 -28.1 16.3 13.2 13.1 104 104 A K H < S+ 0 0 105 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.802 133.4 20.8 -89.2 -30.8 14.0 11.8 15.7 105 105 A Y H < 0 0 19 -4,-3.0 -58,-0.5 -5,-0.1 -3,-0.2 0.510 360.0 360.0-128.9 -9.1 15.7 8.6 16.6 106 106 A R < 0 0 189 -4,-2.4 0, 0.0 -5,-0.4 0, 0.0 -0.706 360.0 360.0-101.1 360.0 19.4 8.6 15.8 107 !* 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 0.0 108 1 B A 0 0 88 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.6 -14.2 21.4 -8.7 109 2 B D > - 0 0 95 1,-0.1 4,-2.5 41,-0.0 5,-0.2 -0.230 360.0-100.7 -72.4 168.9 -11.5 22.3 -11.4 110 3 B L H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 121.6 52.4 -58.8 -46.7 -7.9 21.2 -11.2 111 4 B E H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 109.7 48.7 -59.1 -44.5 -6.7 24.6 -10.0 112 5 B D H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 110.8 49.5 -63.4 -41.6 -9.3 24.7 -7.2 113 6 B N H X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.929 111.7 51.0 -63.2 -36.0 -8.4 21.2 -6.0 114 7 B M H X S+ 0 0 50 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.908 108.9 49.5 -67.5 -43.2 -4.8 22.3 -6.0 115 8 B E H X S+ 0 0 88 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.872 110.0 52.4 -60.3 -35.2 -5.6 25.4 -4.0 116 9 B T H X S+ 0 0 46 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.932 109.8 48.6 -69.5 -36.9 -7.5 23.2 -1.5 117 10 B L H X S+ 0 0 15 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.951 114.0 45.8 -65.0 -46.4 -4.5 20.9 -1.2 118 11 B N H X S+ 0 0 77 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.959 112.9 50.0 -60.5 -50.7 -2.2 23.9 -0.6 119 12 B D H X S+ 0 0 76 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.913 112.3 46.2 -54.6 -47.1 -4.5 25.6 1.9 120 13 B N H X S+ 0 0 15 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.844 105.8 57.6 -75.0 -28.7 -5.0 22.5 4.0 121 14 B L H X S+ 0 0 19 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.924 109.6 47.5 -62.2 -38.0 -1.3 21.6 4.1 122 15 B K H X S+ 0 0 98 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.914 108.8 53.4 -69.8 -40.1 -0.7 25.0 5.6 123 16 B V H X S+ 0 0 65 -4,-2.0 4,-0.7 1,-0.2 3,-0.2 0.941 110.3 48.7 -57.1 -46.8 -3.6 24.6 8.1 124 17 B I H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.895 107.2 54.8 -60.0 -42.3 -2.0 21.3 9.2 125 18 B E H 3< S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 118.3 34.8 -58.7 -37.0 1.5 23.0 9.6 126 19 B K H 3< S+ 0 0 150 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.346 90.1 133.7-100.8 -0.5 0.0 25.6 11.9 127 20 B A << - 0 0 12 -3,-0.8 3,-0.1 -4,-0.7 -3,-0.1 -0.172 40.8-163.7 -61.7 150.6 -2.6 23.3 13.6 128 21 B D S S+ 0 0 144 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.477 70.9 18.5-103.7 -17.0 -3.0 23.3 17.5 129 22 B N S > S- 0 0 72 1,-0.1 4,-1.5 62,-0.1 3,-0.3 -0.967 78.9-101.3-155.2 167.0 -5.0 20.1 17.8 130 23 B A H > S+ 0 0 12 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.874 112.4 61.3 -65.7 -42.9 -5.9 16.8 16.1 131 24 B A H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 105.5 48.9 -50.3 -42.5 -9.4 17.9 15.1 132 25 B Q H > S+ 0 0 75 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.896 113.2 46.3 -67.3 -43.4 -7.9 20.7 12.9 133 26 B V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.934 113.8 48.2 -64.8 -49.9 -5.5 18.3 11.3 134 27 B K H X S+ 0 0 70 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.899 110.7 51.1 -51.7 -48.8 -8.2 15.6 10.7 135 28 B D H X S+ 0 0 73 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.918 113.0 46.5 -59.7 -39.2 -10.5 18.2 9.1 136 29 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.889 111.2 48.9 -71.3 -40.7 -7.8 19.3 6.8 137 30 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.858 109.3 55.0 -69.8 -34.8 -6.6 15.9 5.7 138 31 B T H X S+ 0 0 35 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.934 109.4 45.6 -58.5 -52.5 -10.3 15.0 5.0 139 32 B K H X S+ 0 0 98 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.888 112.1 53.6 -58.3 -39.2 -10.7 18.0 2.7 140 33 B M H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 106.5 51.3 -62.5 -41.8 -7.3 17.1 1.1 141 34 B A H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.902 110.1 49.0 -58.8 -45.5 -8.5 13.5 0.4 142 35 B A H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.890 112.2 49.0 -63.4 -39.0 -11.7 14.8 -1.3 143 36 B A H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.897 111.1 48.8 -68.2 -40.9 -9.7 17.2 -3.4 144 37 B A H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.901 112.2 48.8 -66.9 -41.5 -7.2 14.6 -4.5 145 38 B A H >< S+ 0 0 4 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.945 111.3 49.4 -65.6 -44.0 -10.0 12.2 -5.4 146 39 B D H 3< S+ 0 0 61 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.747 106.9 56.8 -61.7 -30.4 -11.9 14.9 -7.4 147 40 B A T >< S+ 0 0 0 -4,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.617 80.6 95.9 -74.4 -10.9 -8.6 15.8 -9.3 148 41 B W T < S+ 0 0 9 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.1 0.813 87.3 39.0 -48.5 -45.1 -8.3 12.2 -10.4 149 42 B S T 3 S+ 0 0 92 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.439 88.6 116.9 -91.2 -7.7 -9.9 12.7 -13.8 150 43 B A < - 0 0 24 -3,-1.6 -3,-0.0 -4,-0.1 -41,-0.0 -0.256 57.3-137.7 -70.3 146.8 -8.5 16.2 -14.8 151 44 B T - 0 0 71 17,-0.0 -41,-0.1 5,-0.0 5,-0.1 -0.951 22.3-136.8-105.0 115.6 -6.2 16.8 -17.8 152 45 B P > - 0 0 4 0, 0.0 3,-1.8 0, 0.0 61,-0.1 -0.436 22.3-111.4 -70.5 148.8 -3.4 19.2 -16.9 153 46 B P G > S+ 0 0 96 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.894 114.5 59.6 -46.8 -46.1 -2.6 21.9 -19.4 154 47 B K G 3 S+ 0 0 131 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.721 110.2 43.5 -63.0 -17.1 0.8 20.4 -20.3 155 48 B L G X S+ 0 0 12 -3,-1.8 3,-2.0 57,-0.1 -1,-0.3 0.095 74.8 119.2-113.3 21.8 -0.9 17.2 -21.5 156 49 B E T < S+ 0 0 157 -3,-2.3 -1,-0.1 1,-0.3 -2,-0.1 0.840 76.2 51.3 -51.8 -36.8 -3.9 18.8 -23.4 157 50 B D T 3 S+ 0 0 133 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.348 95.9 88.9 -90.5 5.9 -2.8 17.2 -26.6 158 51 B K S < S- 0 0 78 -3,-2.0 -3,-0.1 1,-0.1 0, 0.0 -0.859 76.8-122.8-106.9 140.1 -2.6 13.7 -25.1 159 52 B S > - 0 0 70 -2,-0.4 3,-0.6 1,-0.1 6,-0.3 -0.108 26.8-106.5 -70.2 173.4 -5.5 11.3 -24.8 160 53 B P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.901 121.6 46.9 -69.6 -42.6 -6.8 9.8 -21.6 161 54 B D T 3 S+ 0 0 94 4,-0.1 5,-0.1 5,-0.0 -2,-0.0 0.375 89.5 127.1 -80.5 5.0 -5.4 6.3 -22.2 162 55 B S S <> S- 0 0 8 -3,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.264 72.1-120.8 -63.0 149.0 -2.1 8.0 -23.2 163 56 B P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.880 113.0 54.3 -58.0 -40.8 1.1 6.9 -21.4 164 57 B E H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.909 106.8 50.7 -60.6 -44.6 1.7 10.4 -20.1 165 58 B M H > S+ 0 0 4 -6,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.839 107.7 53.2 -65.2 -35.6 -1.8 10.5 -18.5 166 59 B H H X S+ 0 0 38 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.959 112.5 43.9 -62.0 -42.8 -1.2 7.2 -16.8 167 60 B D H X S+ 0 0 48 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.857 112.5 53.9 -75.4 -31.3 2.0 8.5 -15.3 168 61 B F H >X S+ 0 0 7 -4,-2.8 4,-0.8 1,-0.2 3,-0.6 0.960 109.3 46.8 -60.1 -51.8 0.3 11.7 -14.4 169 62 B R H >X S+ 0 0 25 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.806 98.5 71.9 -63.1 -26.8 -2.5 10.0 -12.6 170 63 B H H 3X S+ 0 0 28 -4,-1.6 4,-2.0 1,-0.2 3,-0.5 0.923 90.7 59.4 -59.9 -38.7 0.1 7.7 -10.7 171 64 B G H S+ 0 0 9 -4,-1.7 5,-2.3 1,-0.2 3,-0.3 0.922 113.0 46.7 -63.5 -41.4 -2.1 9.3 12.6 186 79 B A H ><5S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.912 107.5 56.5 -66.7 -39.7 -4.4 12.3 13.2 187 80 B N H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.3 51.3 -55.0 -35.2 -7.3 10.0 14.3 188 81 B E T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.160 119.6-112.7 -83.2 6.2 -4.9 8.5 17.0 189 82 B C T < 5S+ 0 0 86 -3,-2.0 2,-1.7 1,-0.2 3,-0.2 0.708 70.2 143.3 63.6 23.7 -4.1 12.1 18.2 190 83 B K >< + 0 0 53 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.621 18.9 166.9 -94.8 77.9 -0.6 11.8 17.0 191 84 B V H > + 0 0 37 -2,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.925 69.7 45.5 -63.8 -50.2 -0.5 15.5 16.0 192 85 B K H > S+ 0 0 157 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 114.5 49.8 -65.3 -38.2 3.3 15.9 15.5 193 86 B E H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 111.5 47.6 -64.8 -41.7 3.4 12.6 13.6 194 87 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 110.6 52.9 -70.3 -35.6 0.5 13.6 11.3 195 88 B Q H X S+ 0 0 46 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.886 109.4 49.5 -66.3 -36.4 2.1 16.9 10.7 196 89 B A H X S+ 0 0 41 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.944 108.4 51.4 -68.4 -43.2 5.4 15.1 9.7 197 90 B A H X S+ 0 0 20 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.868 111.6 49.8 -57.8 -37.2 3.5 12.8 7.3 198 91 B A H X S+ 0 0 3 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.902 110.3 48.8 -68.1 -42.9 2.0 16.0 5.8 199 92 B E H >< S+ 0 0 105 -4,-2.2 3,-1.0 1,-0.2 4,-0.2 0.908 110.8 51.7 -62.9 -38.2 5.3 17.7 5.5 200 93 B Q H >< S+ 0 0 43 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.850 96.7 64.7 -71.5 -33.2 6.8 14.6 3.8 201 94 B L H >X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.3 3,-1.3 0.667 79.5 86.5 -72.6 -9.5 4.0 14.2 1.2 202 95 B K H S+ 0 0 30 -3,-1.8 4,-2.2 -4,-0.2 -1,-0.3 0.871 100.4 47.7 -60.1 -35.1 7.8 15.5 -2.2 204 97 B T H <> S+ 0 0 9 -3,-1.3 4,-1.8 -4,-0.3 5,-0.2 0.916 111.5 49.5 -72.4 -43.9 4.9 14.0 -4.2 205 98 B C H X S+ 0 0 30 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.966 114.6 45.9 -52.1 -54.0 3.4 17.5 -4.8 206 99 B N H X S+ 0 0 93 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.878 108.2 54.8 -57.9 -47.7 6.8 18.7 -6.0 207 100 B A H X S+ 0 0 36 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.885 111.4 44.9 -57.3 -40.9 7.6 15.6 -8.3 208 101 B C H X S+ 0 0 28 -4,-1.8 4,-3.3 2,-0.2 5,-0.4 0.937 114.3 48.2 -72.8 -42.4 4.4 16.1 -10.2 209 102 B H H X S+ 0 0 47 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.933 108.4 54.9 -58.9 -47.4 4.8 19.8 -10.5 210 103 B Q H < S+ 0 0 175 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 122.1 28.3 -52.8 -42.3 8.4 19.4 -11.7 211 104 B K H < S+ 0 0 110 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.781 134.7 24.5 -93.2 -31.4 7.4 17.0 -14.5 212 105 B Y H < 0 0 24 -4,-3.3 -58,-0.5 -5,-0.2 -3,-0.2 0.487 360.0 360.0-124.0 -5.1 3.8 18.1 -15.4 213 106 B R < 0 0 196 -4,-2.4 -4,-0.0 -5,-0.4 0, 0.0 -0.777 360.0 360.0 -94.7 360.0 3.2 21.8 -14.4 214 !* 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 0.0 215 1 C A 0 0 90 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.6 -21.2 10.1 -12.5 216 2 C D > - 0 0 93 1,-0.1 4,-1.9 41,-0.0 5,-0.1 -0.299 360.0-103.8 -84.4 174.3 -23.6 8.9 -9.8 217 3 C L H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 117.9 53.5 -67.3 -45.4 -22.8 6.0 -7.4 218 4 C E H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 110.7 46.9 -52.6 -45.6 -24.8 3.3 -9.1 219 5 C D H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.834 109.9 53.4 -70.2 -34.5 -23.1 4.0 -12.5 220 6 C N H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.910 108.2 50.9 -63.6 -42.1 -19.7 4.0 -10.8 221 7 C M H X S+ 0 0 57 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.908 108.4 52.3 -57.6 -42.1 -20.6 0.5 -9.4 222 8 C E H X S+ 0 0 114 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.909 108.3 49.9 -64.5 -40.0 -21.6 -0.6 -12.9 223 9 C T H X S+ 0 0 49 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.923 113.8 46.7 -60.5 -42.0 -18.2 0.5 -14.2 224 10 C L H X S+ 0 0 16 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.965 115.5 45.1 -67.0 -50.0 -16.5 -1.4 -11.4 225 11 C N H X S+ 0 0 87 -4,-3.4 4,-1.2 1,-0.2 -2,-0.2 0.925 114.8 46.8 -53.7 -52.5 -18.6 -4.5 -11.9 226 12 C D H X S+ 0 0 83 -4,-2.7 4,-1.5 1,-0.2 3,-0.3 0.879 112.3 48.9 -59.3 -47.0 -18.3 -4.5 -15.7 227 13 C N H X S+ 0 0 15 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.835 103.0 61.7 -70.4 -27.2 -14.6 -4.0 -15.7 228 14 C L H X S+ 0 0 17 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.872 106.2 46.2 -63.8 -36.1 -13.9 -6.7 -13.2 229 15 C K H X S+ 0 0 94 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.802 107.5 57.2 -79.1 -33.1 -15.4 -9.4 -15.6 230 16 C V H < S+ 0 0 59 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.912 109.2 45.9 -55.9 -46.4 -13.4 -8.0 -18.4 231 17 C I H >< S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.916 109.7 55.9 -65.2 -44.4 -10.3 -8.6 -16.3 232 18 C E H 3< S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.881 117.9 31.9 -49.3 -46.5 -11.6 -12.1 -15.4 233 19 C K T 3< S+ 0 0 150 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.275 89.2 129.3 -99.0 4.0 -11.9 -13.1 -19.0 234 20 C A < - 0 0 12 -3,-1.1 3,-0.1 -4,-0.4 -3,-0.1 -0.316 41.8-163.0 -71.6 151.1 -9.1 -11.1 -20.5 235 21 C D S S+ 0 0 140 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.701 70.5 29.9 -97.6 -22.7 -6.5 -12.9 -22.8 236 22 C N S > S- 0 0 52 62,-0.1 4,-1.4 1,-0.0 3,-0.4 -0.887 79.2-107.4-137.6 160.7 -3.7 -10.2 -22.6 237 23 C A H > S+ 0 0 13 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.784 111.3 60.6 -51.9 -42.1 -2.2 -7.3 -20.5 238 24 C A H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 104.5 49.9 -63.1 -40.7 -3.5 -4.4 -22.6 239 25 C Q H > S+ 0 0 72 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.924 112.9 46.0 -62.3 -47.7 -7.1 -5.6 -21.8 240 26 C V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.897 111.9 52.6 -63.0 -40.9 -6.4 -5.8 -18.1 241 27 C K H X S+ 0 0 73 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.955 109.2 47.7 -61.4 -51.0 -4.7 -2.4 -18.1 242 28 C D H X S+ 0 0 51 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.925 113.0 48.9 -55.0 -45.1 -7.6 -0.7 -19.8 243 29 C A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.921 111.6 48.0 -66.1 -43.0 -10.1 -2.3 -17.3 244 30 C L H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.897 109.5 54.4 -60.7 -41.7 -8.1 -1.3 -14.2 245 31 C T H X S+ 0 0 14 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.956 110.0 46.5 -58.5 -50.2 -7.7 2.3 -15.5 246 32 C K H X S+ 0 0 90 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.903 113.3 50.0 -59.9 -37.1 -11.5 2.6 -15.9 247 33 C M H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.908 106.5 53.6 -69.9 -39.9 -12.0 1.1 -12.4 248 34 C A H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.936 109.9 48.5 -62.0 -44.3 -9.6 3.5 -10.8 249 35 C A H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.918 112.7 48.5 -61.5 -40.2 -11.5 6.5 -12.3 250 36 C A H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.913 111.1 49.4 -67.2 -37.7 -14.8 5.0 -11.1 251 37 C A H X S+ 0 0 0 -4,-2.9 4,-0.7 2,-0.2 -2,-0.2 0.955 113.2 47.3 -63.5 -46.6 -13.4 4.4 -7.6 252 38 C A H >< S+ 0 0 4 -4,-2.5 3,-0.6 -5,-0.2 4,-0.2 0.881 111.8 50.0 -62.1 -41.8 -12.0 8.0 -7.4 253 39 C D H >< S+ 0 0 67 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.851 105.5 57.6 -63.4 -34.8 -15.3 9.4 -8.7 254 40 C A H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.705 81.0 97.9 -65.8 -16.7 -17.2 7.4 -6.1 255 41 C W T << S+ 0 0 6 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.1 0.765 87.7 34.0 -47.3 -41.5 -15.2 9.1 -3.3 256 42 C S T < S+ 0 0 90 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.305 88.3 123.2-105.6 10.3 -17.7 11.8 -2.4 257 43 C A < - 0 0 21 -3,-2.5 -41,-0.0 -4,-0.1 -3,-0.0 -0.344 54.8-140.2 -69.1 143.7 -20.9 9.9 -3.0 258 44 C T - 0 0 68 -2,-0.0 -41,-0.1 17,-0.0 5,-0.1 -0.959 24.1-131.5-104.2 122.7 -23.4 9.5 -0.1 259 45 C P > - 0 0 4 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.458 16.6-114.9 -76.1 145.9 -24.9 6.0 -0.1 260 46 C P G > S+ 0 0 93 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.880 115.8 52.2 -45.3 -39.5 -28.7 5.4 0.2 261 47 C K G 3 S+ 0 0 136 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.597 110.2 46.5 -80.3 -7.1 -28.3 3.7 3.5 262 48 C L G X S+ 0 0 11 -3,-2.6 3,-2.4 1,-0.1 -1,-0.3 0.201 73.6 114.4-111.8 16.2 -26.2 6.5 5.1 263 49 C E T < S+ 0 0 143 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.655 75.4 56.2 -65.9 -11.5 -28.5 9.4 3.9 264 50 C D T 3 S+ 0 0 125 -3,-0.2 2,-0.3 -4,-0.1 -1,-0.3 0.175 96.2 85.1 -98.4 9.7 -29.3 10.1 7.6 265 51 C K S < S- 0 0 70 -3,-2.4 4,-0.1 4,-0.1 -3,-0.1 -0.891 80.1-113.8-115.5 149.6 -25.6 10.5 8.5 266 52 C S - 0 0 78 -2,-0.3 6,-0.4 2,-0.2 3,-0.1 -0.395 26.6-111.8 -83.9 156.7 -23.5 13.6 8.2 267 53 C P S S+ 0 0 95 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.880 118.1 45.9 -55.4 -36.9 -20.5 14.0 5.8 268 54 C D S S+ 0 0 123 4,-0.1 -2,-0.2 5,-0.0 3,-0.1 -0.870 88.3 113.7-103.3 89.9 -18.2 14.0 9.0 269 55 C S S > S- 0 0 12 -2,-0.8 4,-2.6 -3,-0.1 3,-0.4 -0.946 79.7-105.2-145.7 158.7 -19.6 11.1 11.0 270 56 C P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.855 120.3 53.1 -50.4 -41.2 -17.9 7.8 11.9 271 57 C E H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.890 109.3 44.6 -65.0 -45.0 -20.1 6.1 9.4 272 58 C M H > S+ 0 0 3 -6,-0.4 4,-2.6 -3,-0.4 5,-0.2 0.872 113.5 52.5 -70.8 -32.8 -19.2 8.3 6.4 273 59 C H H X S+ 0 0 45 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.927 112.0 45.5 -64.4 -45.2 -15.5 8.1 7.4 274 60 C D H X S+ 0 0 22 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.898 111.8 52.9 -63.7 -38.6 -15.6 4.3 7.5 275 61 C F H X S+ 0 0 7 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.953 111.7 43.5 -61.7 -52.1 -17.5 4.3 4.2 276 62 C R H >X S+ 0 0 32 -4,-2.6 4,-1.7 1,-0.2 3,-0.7 0.829 104.2 66.2 -60.0 -39.2 -14.9 6.4 2.4 277 63 C H H 3X S+ 0 0 17 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.924 94.1 60.9 -50.8 -39.5 -12.1 4.3 4.1 278 64 C G H 3X S+ 0 0 22 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.848 103.1 49.5 -53.8 -37.0 -13.3 1.4 2.0 279 65 C F H S+ 0 0 11 -4,-2.0 5,-2.7 1,-0.2 -1,-0.2 0.917 113.4 47.0 -59.7 -40.8 1.2 -6.0 -12.2 293 79 C A H ><5S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.904 109.3 53.7 -67.2 -45.1 -0.7 -5.5 -15.5 294 80 C N H 3<5S+ 0 0 44 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.6 53.1 -53.1 -39.2 1.9 -3.0 -16.6 295 81 C E T 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.334 118.9-116.6 -76.6 5.9 4.6 -5.6 -16.0 296 82 C C T < 5 + 0 0 90 -3,-2.0 2,-1.2 1,-0.2 -3,-0.2 0.846 69.5 144.3 55.2 32.1 2.5 -8.0 -18.2 297 83 C K >< + 0 0 51 -5,-2.7 4,-2.6 1,-0.2 -1,-0.2 -0.676 18.7 166.5 -96.1 77.5 2.0 -10.2 -15.2 298 84 C V H > + 0 0 29 -2,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.925 68.8 47.0 -66.6 -50.3 -1.5 -11.0 -16.4 299 85 C K H > S+ 0 0 168 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 114.0 48.4 -52.2 -44.9 -2.2 -14.0 -14.1 300 86 C E H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.898 111.6 52.1 -70.4 -37.4 -0.9 -12.1 -11.1 301 87 C A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.881 107.6 50.3 -61.8 -42.6 -3.1 -9.1 -12.1 302 88 C Q H X S+ 0 0 42 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.904 110.1 51.7 -65.4 -37.6 -6.2 -11.2 -12.4 303 89 C A H X S+ 0 0 29 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.882 108.3 49.5 -62.8 -44.3 -5.5 -12.6 -8.9 304 90 C A H X S+ 0 0 18 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.909 110.9 51.8 -57.7 -40.4 -5.1 -9.2 -7.4 305 91 C A H < S+ 0 0 2 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.830 112.4 45.6 -69.0 -31.8 -8.5 -8.3 -9.1 306 92 C E H >< S+ 0 0 106 -4,-1.6 3,-0.7 2,-0.2 4,-0.3 0.885 111.1 52.5 -70.1 -41.4 -10.0 -11.3 -7.5 307 93 C Q H >< S+ 0 0 49 -4,-2.9 3,-1.5 1,-0.2 4,-0.3 0.880 103.4 57.0 -67.3 -37.8 -8.5 -10.6 -4.1 308 94 C L T >X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.3 3,-1.4 0.714 85.0 80.9 -70.7 -15.3 -9.9 -7.0 -4.1 309 95 C K H <> S+ 0 0 88 -3,-0.7 4,-2.6 -4,-0.5 -1,-0.3 0.773 82.2 65.9 -55.8 -24.4 -13.4 -8.4 -4.5 310 96 C T H <> S+ 0 0 44 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.3 0.850 101.2 49.5 -63.3 -35.6 -13.2 -9.0 -0.7 311 97 C T H <> S+ 0 0 13 -3,-1.4 4,-1.9 -4,-0.3 5,-0.2 0.935 109.7 49.6 -71.0 -48.7 -13.1 -5.1 -0.5 312 98 C C H X S+ 0 0 34 -4,-1.7 4,-2.4 1,-0.2 3,-0.3 0.977 116.4 42.4 -49.2 -54.0 -16.1 -4.7 -2.7 313 99 C N H X S+ 0 0 80 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.873 108.3 58.7 -69.3 -36.0 -18.1 -7.2 -0.8 314 100 C A H X S+ 0 0 35 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.892 109.7 44.0 -59.7 -41.2 -17.0 -6.0 2.6 315 101 C C H >X S+ 0 0 29 -4,-1.9 4,-3.1 -3,-0.3 3,-0.6 0.961 112.6 53.4 -68.8 -45.7 -18.4 -2.5 1.9 316 102 C H H 3X S+ 0 0 43 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.894 104.3 54.2 -55.1 -45.1 -21.6 -4.0 0.5 317 103 C Q H 3< S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 119.1 33.9 -61.2 -34.5 -22.3 -6.1 3.5 318 104 C K H << S+ 0 0 106 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.819 136.3 16.9 -87.1 -34.9 -22.1 -3.1 5.8 319 105 C Y H < 0 0 19 -4,-3.1 -58,-0.5 -5,-0.2 -3,-0.2 0.541 360.0 360.0-125.8 -10.1 -23.5 -0.3 3.6 320 106 C R < 0 0 191 -4,-2.7 0, 0.0 -5,-0.4 0, 0.0 -0.586 360.0 360.0 -89.3 360.0 -25.4 -1.6 0.5 321 !* 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 0.0 322 1 D A 0 0 90 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.1 13.0 -16.8 13.3 323 2 D D > - 0 0 89 1,-0.1 4,-2.1 41,-0.0 5,-0.2 -0.308 360.0-100.2 -81.9 172.4 12.5 -19.4 10.5 324 3 D L H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 119.2 51.5 -61.8 -45.3 9.5 -19.4 8.1 325 4 D E H > S+ 0 0 156 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 109.6 48.7 -58.4 -42.7 7.5 -22.1 9.9 326 5 D D H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 110.7 50.5 -67.8 -35.9 7.7 -20.4 13.3 327 6 D N H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.868 108.2 53.4 -69.7 -31.5 6.7 -17.0 11.8 328 7 D M H X S+ 0 0 54 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.908 106.8 52.1 -68.1 -40.3 3.7 -18.7 10.1 329 8 D E H X S+ 0 0 121 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.918 109.6 49.4 -53.3 -48.6 2.7 -20.2 13.6 330 9 D T H X S+ 0 0 48 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.895 111.4 49.6 -59.3 -43.8 2.8 -16.6 15.0 331 10 D L H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.944 115.0 43.5 -57.8 -47.2 0.7 -15.3 12.1 332 11 D N H X S+ 0 0 77 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.887 113.6 49.5 -71.9 -37.3 -1.9 -18.1 12.6 333 12 D D H X S+ 0 0 86 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.901 111.8 49.5 -66.7 -40.4 -2.0 -17.9 16.5 334 13 D N H X S+ 0 0 16 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.852 104.1 57.3 -74.8 -30.3 -2.5 -14.1 16.4 335 14 D L H X S+ 0 0 21 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.923 108.5 47.7 -58.8 -45.1 -5.2 -14.2 13.9 336 15 D K H X S+ 0 0 111 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.823 109.3 53.3 -70.4 -33.0 -7.2 -16.5 16.2 337 16 D V H X S+ 0 0 67 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.881 107.8 51.7 -64.2 -38.7 -6.4 -14.1 19.2 338 17 D I H >< S+ 0 0 3 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.934 106.5 54.9 -65.5 -42.7 -7.8 -11.3 17.1 339 18 D E H 3< S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.3 35.4 -46.4 -50.1 -11.0 -13.3 16.4 340 19 D K H 3< S+ 0 0 146 -4,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.418 86.3 134.1 -93.0 -5.5 -11.7 -13.9 20.1 341 20 D A << - 0 0 15 -4,-0.9 3,-0.1 -3,-0.8 -3,-0.1 -0.147 40.5-162.2 -60.7 144.5 -10.5 -10.6 21.5 342 21 D D S S+ 0 0 139 1,-0.1 2,-0.2 63,-0.0 -1,-0.1 0.793 71.7 20.0 -89.6 -33.3 -12.7 -8.7 24.1 343 22 D N S > S- 0 0 69 1,-0.1 4,-1.1 62,-0.1 3,-0.2 -0.787 79.0-102.7-135.2 171.5 -11.0 -5.3 23.7 344 23 D A H > S+ 0 0 14 -2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.854 114.1 63.2 -61.7 -42.2 -8.8 -3.0 21.5 345 24 D A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 103.5 49.5 -50.9 -41.9 -5.7 -3.6 23.6 346 25 D Q H > S+ 0 0 71 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.834 112.4 46.1 -70.5 -33.2 -5.8 -7.3 22.7 347 26 D V H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.3 5,-0.2 0.945 111.5 51.5 -75.1 -45.8 -6.2 -6.7 18.9 348 27 D K H X S+ 0 0 72 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.911 112.0 47.2 -51.0 -50.1 -3.4 -4.0 18.9 349 28 D D H X S+ 0 0 82 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.909 112.8 47.7 -64.2 -43.6 -1.0 -6.4 20.6 350 29 D A H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.917 112.0 49.3 -66.4 -38.3 -1.8 -9.3 18.4 351 30 D L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.879 107.3 56.1 -71.0 -29.4 -1.4 -7.3 15.2 352 31 D T H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.934 108.6 47.6 -64.8 -46.9 1.9 -5.9 16.4 353 32 D K H X S+ 0 0 98 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.855 110.9 50.6 -60.0 -40.9 3.2 -9.5 16.8 354 33 D M H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.912 106.9 55.1 -67.1 -41.9 1.9 -10.4 13.3 355 34 D A H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.934 111.0 45.6 -53.6 -47.3 3.7 -7.3 11.8 356 35 D A H X S+ 0 0 38 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.925 112.3 49.4 -64.6 -43.8 6.9 -8.5 13.2 357 36 D A H X S+ 0 0 4 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.915 112.5 48.0 -62.3 -37.0 6.4 -12.1 12.1 358 37 D A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.931 112.4 48.6 -74.3 -41.4 5.6 -11.0 8.5 359 38 D A H >< S+ 0 0 2 -4,-2.7 3,-1.0 -5,-0.2 4,-0.3 0.910 111.1 50.9 -60.5 -36.3 8.6 -8.6 8.4 360 39 D D H 3< S+ 0 0 48 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.754 106.1 56.0 -72.4 -19.6 10.9 -11.5 9.7 361 40 D A H >< S+ 0 0 0 -4,-1.1 3,-1.8 -3,-0.4 -1,-0.2 0.588 80.3 97.3 -87.6 -10.9 9.5 -13.8 7.0 362 41 D W T << S+ 0 0 7 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.800 86.9 38.3 -48.1 -48.8 10.5 -11.5 4.2 363 42 D S T 3 S+ 0 0 84 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.267 87.2 122.2 -81.1 -17.1 13.8 -13.2 3.3 364 43 D A < - 0 0 19 -3,-1.8 -3,-0.0 -41,-0.0 -41,-0.0 -0.396 54.8-142.6 -59.7 140.6 12.7 -16.8 3.7 365 44 D T - 0 0 80 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.960 23.1-136.3-102.8 117.6 13.0 -19.2 0.8 366 45 D P > - 0 0 5 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.328 19.2-113.9 -72.8 152.9 10.0 -21.5 1.0 367 46 D P G > S+ 0 0 115 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.915 114.7 57.9 -51.9 -45.0 10.6 -25.2 0.4 368 47 D K G 3 S+ 0 0 132 58,-0.6 3,-0.2 1,-0.3 59,-0.1 0.715 113.4 41.0 -61.8 -16.2 8.7 -25.3 -2.9 369 48 D L G X S+ 0 0 8 -3,-1.5 3,-2.1 57,-0.2 -1,-0.3 0.330 77.0 106.8-116.7 12.8 11.0 -22.6 -4.3 370 49 D E T < S+ 0 0 161 -3,-1.6 -1,-0.1 -4,-0.5 -2,-0.1 0.876 82.7 53.0 -55.1 -35.4 14.5 -23.7 -3.0 371 50 D D T 3 S+ 0 0 131 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.3 0.350 95.8 91.0 -85.1 3.4 15.4 -24.8 -6.6 372 51 D K S < S- 0 0 91 -3,-2.1 -3,-0.1 1,-0.1 0, 0.0 -0.687 87.8-100.9 -96.8 156.5 14.5 -21.4 -7.9 373 52 D S > - 0 0 69 -2,-0.3 3,-1.9 1,-0.1 6,-0.4 -0.408 29.6-117.8 -70.2 151.2 16.8 -18.5 -8.3 374 53 D P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.751 119.1 43.5 -60.9 -20.4 16.6 -15.8 -5.6 375 54 D D T 3 S+ 0 0 76 4,-0.1 -2,-0.1 5,-0.0 -347,-0.0 0.094 86.2 126.2-113.3 22.8 15.6 -13.5 -8.5 376 55 D S S <> S- 0 0 11 -3,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.324 76.7-108.3 -66.0 159.7 13.2 -15.8 -10.2 377 56 D P H > S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.814 120.0 56.5 -54.7 -36.9 9.6 -14.6 -11.0 378 57 D E H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.912 107.9 44.9 -61.9 -49.0 8.4 -17.0 -8.2 379 58 D M H > S+ 0 0 5 -6,-0.4 4,-2.9 2,-0.2 5,-0.2 0.870 113.0 51.1 -66.3 -40.0 10.6 -15.5 -5.6 380 59 D H H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.919 114.7 45.0 -60.3 -41.6 9.7 -11.9 -6.7 381 60 D D H X S+ 0 0 23 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.881 111.4 51.9 -69.9 -40.2 6.1 -13.0 -6.4 382 61 D F H >X S+ 0 0 8 -4,-2.7 4,-1.0 2,-0.2 3,-0.5 0.962 112.1 45.8 -59.9 -51.7 6.6 -14.7 -3.1 383 62 D R H >X S+ 0 0 27 -4,-2.9 4,-1.7 1,-0.2 3,-0.8 0.911 107.0 60.5 -61.4 -37.8 8.2 -11.6 -1.7 384 63 D H H 3X S+ 0 0 19 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.849 97.5 57.9 -56.0 -42.3 5.4 -9.5 -3.2 385 64 D G H S+ 0 0 5 -4,-1.7 5,-2.4 2,-0.2 3,-0.3 0.921 111.6 48.4 -60.6 -48.1 -8.0 0.8 13.2 400 79 D A H ><5S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.949 110.1 51.7 -56.6 -44.8 -7.1 -1.1 16.4 401 80 D N H 3<5S+ 0 0 31 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.6 54.3 -64.8 -26.5 -5.3 2.0 17.7 402 81 D E T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.274 119.4-114.0 -81.3 9.2 -8.4 4.2 16.9 403 82 D C T < 5S+ 0 0 91 -3,-2.1 2,-1.8 1,-0.2 3,-0.2 0.673 72.7 141.5 62.2 20.3 -10.4 1.7 19.1 404 83 D K >< + 0 0 44 -5,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.571 20.4 164.6 -83.6 71.6 -12.3 0.6 16.0 405 84 D V H > + 0 0 36 -2,-1.8 4,-2.9 1,-0.2 5,-0.2 0.923 67.5 45.7 -69.9 -44.4 -12.3 -3.0 17.2 406 85 D K H > S+ 0 0 157 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 115.9 49.1 -59.6 -39.0 -15.0 -4.6 15.0 407 86 D E H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.896 113.0 46.8 -68.5 -35.4 -13.4 -2.8 11.9 408 87 D A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.906 113.0 49.3 -71.0 -41.2 -9.9 -4.0 12.9 409 88 D Q H X S+ 0 0 48 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.880 111.1 50.1 -61.6 -39.8 -11.3 -7.5 13.4 410 89 D A H X S+ 0 0 43 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.944 111.4 47.8 -60.8 -51.2 -12.9 -7.3 10.1 411 90 D A H < S+ 0 0 23 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.880 113.5 49.5 -56.2 -41.1 -9.7 -6.2 8.4 412 91 D A H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.2 4,-0.3 0.935 109.6 47.7 -67.8 -46.1 -7.8 -9.0 10.2 413 92 D E H >< S+ 0 0 99 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.851 107.0 60.2 -70.7 -26.3 -10.1 -11.8 9.2 414 93 D Q T >< S+ 0 0 54 -4,-2.0 3,-1.6 1,-0.2 4,-0.4 0.615 84.3 80.6 -66.2 -13.5 -9.9 -10.4 5.6 415 94 D L T X> S+ 0 0 0 -3,-1.8 4,-1.8 -4,-0.3 3,-1.0 0.718 72.9 79.3 -65.2 -21.5 -6.1 -11.0 5.7 416 95 D K H <> S+ 0 0 59 -3,-1.1 4,-2.6 -4,-0.3 -1,-0.3 0.696 78.8 66.2 -65.5 -22.7 -6.9 -14.6 4.9 417 96 D T H <> S+ 0 0 38 -3,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.939 109.4 39.2 -57.7 -45.0 -7.4 -13.6 1.2 418 97 D T H <> S+ 0 0 9 -3,-1.0 4,-1.8 -4,-0.4 -2,-0.2 0.899 116.4 49.8 -72.5 -41.6 -3.7 -12.8 1.2 419 98 D C H X S+ 0 0 31 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.954 114.6 44.8 -59.6 -52.6 -2.6 -15.8 3.4 420 99 D N H X S+ 0 0 84 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.851 108.3 55.7 -64.9 -37.3 -4.6 -18.2 1.2 421 100 D A H X S+ 0 0 28 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.913 111.5 44.6 -66.7 -42.0 -3.5 -16.8 -2.1 422 101 D C H X S+ 0 0 28 -4,-1.8 4,-2.4 2,-0.2 5,-0.4 0.921 112.6 50.4 -65.9 -42.0 0.2 -17.3 -1.2 423 102 D H H X S+ 0 0 40 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.897 104.1 60.6 -65.7 -35.1 -0.4 -20.8 0.3 424 103 D Q H < S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.872 117.1 28.8 -58.0 -39.9 -2.2 -21.8 -2.9 425 104 D K H < S+ 0 0 100 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.807 135.9 18.2 -90.4 -31.9 0.9 -21.2 -5.0 426 105 D Y H < 0 0 25 -4,-2.4 -58,-0.6 -5,-0.1 -3,-0.2 0.516 360.0 360.0-127.4 -10.0 3.9 -21.8 -2.8 427 106 D R < 0 0 196 -4,-1.7 0, 0.0 -5,-0.4 0, 0.0 -0.702 360.0 360.0 -93.7 360.0 3.0 -23.8 0.3