==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 26-FEB-13 4JEA . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.A.TEZCAN,A.M.MEDINA-MORALES,A.PEREZ,J.D.BRODIN . 424 4 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 83.3 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 68.2 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 0 0 0 0 0 0 0 1 3 4 0 0 0 4 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 96 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.4 17.2 23.9 7.3 2 2 A D > - 0 0 88 1,-0.1 4,-2.4 3,-0.0 5,-0.2 -0.109 360.0-105.3 -64.8 163.7 20.4 24.5 9.4 3 3 A L H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 120.6 52.6 -60.1 -45.0 21.3 22.5 12.5 4 4 A E H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 109.7 49.7 -59.9 -40.4 20.4 25.4 14.9 5 5 A D H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.920 110.6 49.1 -63.8 -44.8 16.9 25.7 13.2 6 6 A N H X S+ 0 0 15 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.888 110.0 52.1 -60.9 -37.4 16.3 21.9 13.6 7 7 A M H X S+ 0 0 57 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.879 107.4 51.8 -65.9 -41.3 17.3 22.1 17.3 8 8 A E H X S+ 0 0 114 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.897 108.8 51.8 -61.4 -41.2 14.8 25.0 17.9 9 9 A T H X S+ 0 0 53 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.905 109.9 48.8 -61.8 -45.6 12.0 22.8 16.3 10 10 A L H X S+ 0 0 19 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.956 114.8 44.7 -57.7 -45.9 12.9 19.9 18.7 11 11 A N H X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.915 112.7 50.6 -66.7 -46.3 12.8 22.2 21.8 12 12 A D H X S+ 0 0 88 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.889 110.7 49.1 -58.8 -43.2 9.5 24.0 20.8 13 13 A N H X S+ 0 0 17 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.838 104.3 58.2 -72.4 -30.9 7.7 20.7 20.2 14 14 A L H X S+ 0 0 19 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.932 108.4 47.9 -57.4 -44.6 8.8 19.2 23.6 15 15 A K H X S+ 0 0 122 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.903 109.2 52.9 -62.7 -40.3 7.1 22.2 25.2 16 16 A V H X S+ 0 0 73 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.932 109.4 49.6 -59.6 -47.0 3.9 21.7 23.1 17 17 A I H >< S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.919 107.6 52.9 -62.0 -40.8 3.7 18.0 24.3 18 18 A E H 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.869 115.7 41.1 -62.4 -35.5 4.1 18.9 28.0 19 19 A K H 3< S+ 0 0 156 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.415 90.6 124.3 -91.3 -1.7 1.1 21.4 27.7 20 20 A A << - 0 0 15 -3,-0.9 3,-0.1 -4,-0.7 -3,-0.1 -0.218 41.5-169.5 -66.6 152.1 -1.1 19.2 25.5 21 21 A D + 0 0 146 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.548 67.5 32.7-109.8 -16.3 -4.7 18.2 26.4 22 22 A N S > S- 0 0 73 62,-0.1 4,-1.5 1,-0.1 3,-0.2 -0.922 77.1-108.4-148.4 162.4 -5.4 15.5 23.7 23 23 A A H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.838 111.3 58.5 -62.6 -39.2 -3.9 12.7 21.5 24 24 A A H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 106.2 49.7 -60.9 -42.7 -4.0 14.6 18.1 25 25 A Q H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 112.9 46.1 -61.5 -43.3 -1.9 17.5 19.5 26 26 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.922 112.7 49.6 -67.6 -47.6 0.8 15.0 20.9 27 27 A K H X S+ 0 0 47 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.923 110.9 50.1 -59.8 -42.7 0.9 12.9 17.6 28 28 A D H X S+ 0 0 88 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.934 113.0 45.7 -60.7 -45.6 1.3 16.1 15.5 29 29 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.917 112.1 51.1 -66.2 -44.7 4.3 17.4 17.7 30 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.900 109.0 51.8 -58.6 -40.9 6.1 14.0 17.7 31 31 A T H X S+ 0 0 49 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.921 108.4 50.2 -63.6 -42.9 5.8 13.8 13.9 32 32 A K H X S+ 0 0 100 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.881 109.4 52.8 -61.4 -39.9 7.4 17.3 13.5 33 33 A M H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.911 106.8 51.4 -62.5 -43.3 10.3 16.2 15.9 34 34 A A H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 110.1 49.1 -59.8 -42.4 11.0 13.1 13.8 35 35 A A H X S+ 0 0 62 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.900 111.9 49.3 -66.2 -41.3 11.3 15.2 10.5 36 36 A A H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 111.7 48.1 -63.7 -42.7 13.7 17.7 12.3 37 37 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.906 109.5 53.1 -65.0 -38.3 15.9 14.8 13.6 38 38 A A H < S+ 0 0 43 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.890 112.0 46.0 -66.2 -32.3 16.0 13.2 10.1 39 39 A D H >< S+ 0 0 74 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.934 111.0 52.0 -74.2 -39.9 17.2 16.6 8.6 40 40 A A H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.780 92.1 77.4 -66.9 -27.7 19.9 17.1 11.4 41 41 A W T 3< S+ 0 0 61 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.770 93.7 49.1 -55.4 -32.1 21.4 13.6 10.8 42 42 A S T < S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.366 93.0 102.8 -88.7 0.7 23.2 14.9 7.6 43 43 A A < - 0 0 27 -3,-2.1 -41,-0.0 -4,-0.1 -3,-0.0 -0.438 63.6-140.1 -81.3 157.9 24.8 18.0 9.3 44 44 A T - 0 0 80 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.980 23.3-137.8-115.8 120.7 28.4 18.5 10.5 45 45 A P > - 0 0 6 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.381 24.4-106.2 -77.1 158.1 28.5 20.4 13.9 46 46 A P G > S+ 0 0 104 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.858 116.8 55.2 -49.4 -46.0 31.2 23.1 14.5 47 47 A K G 3 S+ 0 0 130 58,-0.5 3,-0.2 1,-0.2 59,-0.1 0.652 111.4 44.1 -68.5 -13.7 33.4 20.9 16.9 48 48 A L G X S+ 0 0 8 -3,-1.8 3,-1.7 57,-0.1 -1,-0.2 0.254 75.1 110.4-113.3 12.8 33.7 18.1 14.3 49 49 A E T < S+ 0 0 149 -3,-1.4 -1,-0.1 -4,-0.4 -2,-0.1 0.736 81.2 50.8 -57.4 -25.8 34.4 20.2 11.2 50 50 A D T 3 S+ 0 0 130 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.457 94.2 95.6 -87.5 -8.5 38.1 18.9 11.1 51 51 A K S < S- 0 0 85 -3,-1.7 -3,-0.0 1,-0.1 0, 0.0 -0.554 80.4-101.9 -91.7 152.9 37.2 15.1 11.4 52 52 A S > - 0 0 69 -2,-0.2 3,-1.8 1,-0.1 6,-0.3 -0.378 28.5-125.2 -60.2 140.7 36.9 12.4 8.7 53 53 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.763 115.8 48.1 -57.6 -23.1 33.2 11.5 7.8 54 54 A D T 3 S+ 0 0 91 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 0.180 88.4 123.3-104.9 18.2 34.0 7.8 8.7 55 55 A S S <> S- 0 0 13 -3,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.329 76.2-114.0 -69.7 156.1 35.8 8.8 12.0 56 56 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.849 117.3 56.1 -59.7 -31.9 34.5 7.3 15.3 57 57 A E H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.908 108.7 45.5 -66.2 -44.8 33.3 10.7 16.5 58 58 A M H > S+ 0 0 10 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.871 111.1 53.1 -68.1 -36.5 31.1 11.2 13.3 59 59 A H H X S+ 0 0 34 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 112.5 45.2 -57.8 -46.7 29.7 7.6 13.7 60 60 A D H X S+ 0 0 24 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.892 111.4 52.9 -67.4 -40.0 28.7 8.4 17.4 61 61 A F H >X S+ 0 0 9 -4,-2.3 4,-0.8 1,-0.2 3,-0.6 0.971 113.8 42.3 -59.9 -51.7 27.2 11.8 16.4 62 62 A R H >X S+ 0 0 57 -4,-2.5 4,-1.5 1,-0.2 3,-0.9 0.894 107.0 63.1 -63.9 -37.0 25.0 10.2 13.7 63 63 A H H 3X S+ 0 0 30 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.851 93.2 63.2 -54.3 -39.7 24.1 7.3 16.0 64 64 A G H <>S+ 0 0 13 -4,-1.7 5,-2.0 1,-0.2 3,-0.7 0.943 112.5 49.2 -60.9 -45.8 1.3 5.2 22.8 79 79 A A H ><5S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.877 111.4 49.3 -63.1 -38.7 -0.2 8.5 21.4 80 80 A N H 3<5S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.683 107.2 55.8 -72.9 -15.4 -2.3 6.7 18.7 81 81 A a T <<5S- 0 0 43 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.182 119.9-102.1-109.8 20.9 -3.7 4.2 21.2 82 82 A G T < 5S+ 0 0 57 -3,-0.9 2,-1.6 1,-0.1 3,-0.3 0.448 82.6 129.3 77.0 4.1 -5.2 6.8 23.6 83 83 A K >< + 0 0 55 -5,-2.0 4,-2.3 -6,-0.2 5,-0.2 -0.500 22.9 155.9 -88.4 65.8 -2.4 6.6 26.2 84 84 A V H > + 0 0 31 -2,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.930 69.7 47.1 -66.1 -47.1 -1.8 10.4 26.3 85 85 A K H > S+ 0 0 167 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.918 113.7 49.6 -59.3 -43.4 -0.2 10.6 29.9 86 86 A E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 110.7 49.5 -64.9 -38.6 2.1 7.6 29.0 87 87 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.880 110.3 51.5 -66.1 -39.3 3.2 9.4 25.7 88 88 A Q H X S+ 0 0 43 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.906 109.7 49.0 -62.2 -43.2 3.9 12.7 27.6 89 89 A A H X S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.912 110.1 51.9 -64.5 -39.2 6.1 10.7 30.1 90 90 A A H X S+ 0 0 24 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.906 108.2 51.9 -61.8 -41.6 8.0 9.1 27.1 91 91 A A H >X S+ 0 0 2 -4,-2.1 3,-0.9 2,-0.2 4,-0.6 0.917 106.3 53.0 -64.5 -41.4 8.6 12.6 25.6 92 92 A E H >< S+ 0 0 112 -4,-2.0 3,-1.3 1,-0.2 4,-0.2 0.920 104.4 57.0 -58.7 -37.9 10.1 13.8 29.0 93 93 A Q H >< S+ 0 0 57 -4,-1.9 3,-1.4 1,-0.2 4,-0.5 0.730 89.0 75.6 -67.9 -20.1 12.5 10.8 28.9 94 94 A L H XX S+ 0 0 4 -3,-0.9 4,-1.9 -4,-0.9 3,-1.0 0.817 78.0 76.4 -57.5 -30.4 13.9 12.0 25.4 95 95 A K H S+ 0 0 18 -3,-1.4 4,-2.1 -4,-0.2 -1,-0.3 0.917 105.7 43.7 -54.7 -44.6 18.4 12.0 28.3 97 97 A T H <> S+ 0 0 13 -3,-1.0 4,-1.9 -4,-0.5 5,-0.2 0.942 114.2 50.6 -68.7 -42.6 19.4 11.4 24.6 98 98 A C H X S+ 0 0 40 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.940 112.3 46.9 -59.2 -50.2 19.4 15.3 23.9 99 99 A N H X S+ 0 0 103 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.901 109.2 54.2 -64.6 -37.9 21.7 15.9 27.0 100 100 A A H X S+ 0 0 14 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.929 110.5 44.9 -65.0 -45.2 24.2 13.0 26.2 101 101 A C H X S+ 0 0 27 -4,-1.9 4,-2.5 1,-0.2 5,-0.4 0.938 112.4 52.0 -63.5 -43.1 24.9 14.3 22.6 102 102 A H H X S+ 0 0 55 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 105.6 54.3 -62.5 -44.8 25.3 18.0 23.8 103 103 A Q H < S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 118.0 36.4 -58.9 -32.1 27.9 17.0 26.5 104 104 A K H < S+ 0 0 90 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.868 134.5 14.2 -84.2 -41.3 30.1 15.3 23.9 105 105 A Y H < 0 0 32 -4,-2.5 -58,-0.5 -5,-0.1 -3,-0.2 0.430 360.0 360.0-127.2 -7.4 29.7 17.5 20.7 106 106 A R < 0 0 192 -4,-2.0 0, 0.0 -5,-0.4 0, 0.0 -0.692 360.0 360.0 -89.0 360.0 28.1 20.9 21.5 107 !* 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 94 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 29.7 11.9 12.5 -5.1 109 2 B D > - 0 0 82 1,-0.1 4,-2.2 41,-0.0 5,-0.2 -0.282 360.0-100.3 -76.7 172.6 8.7 10.8 -6.1 110 3 B L H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.913 122.2 50.0 -61.8 -45.1 7.5 7.4 -4.9 111 4 B E H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 110.4 50.7 -60.8 -40.5 8.7 5.5 -8.1 112 5 B D H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 110.5 49.0 -62.9 -44.9 12.2 7.2 -7.9 113 6 B N H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.859 109.2 53.1 -61.8 -41.2 12.6 6.1 -4.2 114 7 B M H X S+ 0 0 58 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.875 106.7 51.8 -61.9 -41.2 11.6 2.6 -5.1 115 8 B E H X S+ 0 0 112 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.927 109.9 50.5 -60.0 -43.8 14.3 2.4 -7.9 116 9 B T H X S+ 0 0 52 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.914 110.9 48.2 -58.8 -45.8 16.9 3.6 -5.3 117 10 B L H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.921 114.7 46.1 -59.7 -45.4 15.8 0.8 -2.8 118 11 B N H X S+ 0 0 103 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.927 112.4 48.3 -67.8 -44.4 15.9 -1.9 -5.5 119 12 B D H X S+ 0 0 96 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.901 114.7 45.2 -63.4 -43.0 19.3 -0.9 -7.0 120 13 B N H X S+ 0 0 20 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.858 107.3 57.0 -74.6 -30.3 21.0 -0.7 -3.6 121 14 B L H X S+ 0 0 24 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.927 108.4 49.3 -60.2 -44.3 19.5 -4.0 -2.3 122 15 B K H X S+ 0 0 132 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.888 105.4 57.2 -64.0 -39.0 21.1 -5.7 -5.3 123 16 B V H < S+ 0 0 73 -4,-1.7 4,-0.5 1,-0.2 3,-0.4 0.901 104.8 53.0 -52.8 -48.8 24.6 -4.0 -4.6 124 17 B I H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.904 97.7 64.9 -56.9 -41.9 24.6 -5.6 -1.1 125 18 B E H 3< S+ 0 0 79 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.857 117.7 22.0 -57.0 -40.7 24.0 -9.2 -2.4 126 19 B K T 3< S+ 0 0 166 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.149 88.7 142.4-117.5 23.3 27.4 -9.5 -4.3 127 20 B A < - 0 0 17 -3,-1.1 3,-0.1 -4,-0.5 -3,-0.1 -0.278 40.9-153.4 -63.8 148.7 29.4 -6.8 -2.5 128 21 B D + 0 0 148 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.577 69.6 21.6 -94.6 -22.0 33.2 -7.5 -1.9 129 22 B N S > S- 0 0 74 1,-0.1 4,-1.5 62,-0.1 3,-0.2 -0.954 75.6-104.7-151.2 164.7 33.8 -5.2 1.2 130 23 B A H > S+ 0 0 32 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.842 113.0 59.3 -59.3 -41.0 32.3 -3.4 4.3 131 24 B A H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 106.2 47.9 -62.1 -41.7 32.6 0.1 2.7 132 25 B Q H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 113.6 47.1 -64.4 -42.8 30.3 -0.9 -0.3 133 26 B V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.916 112.7 49.5 -67.3 -42.7 27.6 -2.5 2.1 134 27 B K H X S+ 0 0 35 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.914 111.7 48.5 -61.5 -44.5 27.6 0.6 4.4 135 28 B D H X S+ 0 0 83 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.931 113.7 46.7 -61.6 -46.4 27.2 3.1 1.5 136 29 B A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.907 112.3 49.1 -63.7 -46.0 24.3 1.0 -0.0 137 30 B L H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.897 111.0 51.2 -60.3 -39.9 22.5 0.6 3.4 138 31 B T H X S+ 0 0 48 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.918 108.8 50.0 -65.2 -45.1 22.8 4.4 4.0 139 32 B K H X S+ 0 0 102 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.869 110.4 51.6 -58.5 -37.6 21.3 5.2 0.5 140 33 B M H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 107.8 50.8 -66.6 -43.6 18.3 2.8 1.3 141 34 B A H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 110.9 48.9 -61.4 -43.3 17.5 4.5 4.7 142 35 B A H X S+ 0 0 54 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.899 112.6 48.1 -66.7 -39.5 17.5 8.0 3.0 143 36 B A H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.903 111.6 49.9 -65.9 -41.8 15.1 6.7 0.1 144 37 B A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.924 109.5 51.4 -64.5 -39.7 12.7 5.0 2.8 145 38 B A H < S+ 0 0 45 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.858 112.5 45.6 -64.8 -38.1 12.5 8.3 4.8 146 39 B D H >< S+ 0 0 68 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.885 109.3 55.9 -73.6 -36.5 11.6 10.3 1.6 147 40 B A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.794 90.0 76.7 -62.6 -30.5 8.9 7.6 0.5 148 41 B W T 3< S+ 0 0 79 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 90.4 54.3 -56.8 -28.5 7.1 7.9 3.9 149 42 B S T < S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.570 91.3 98.4 -85.0 -5.8 5.5 11.3 2.8 150 43 B A < - 0 0 23 -3,-2.0 -41,-0.0 -4,-0.2 -3,-0.0 -0.371 65.0-139.7 -85.8 154.3 3.9 9.9 -0.4 151 44 B T - 0 0 77 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.976 26.2-133.2-105.5 122.7 0.3 8.6 -1.1 152 45 B P > - 0 0 6 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.390 21.3-112.1 -77.9 150.2 0.3 5.5 -3.3 153 46 B P G > S+ 0 0 103 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.874 115.6 55.9 -50.2 -42.2 -2.1 5.3 -6.3 154 47 B K G 3 S+ 0 0 134 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.627 110.9 44.3 -66.0 -14.8 -4.3 2.5 -4.6 155 48 B L G X S+ 0 0 10 -3,-2.0 3,-1.5 57,-0.1 -1,-0.3 0.201 78.2 109.6-112.9 15.6 -4.9 4.7 -1.4 156 49 B E T < S+ 0 0 147 -3,-1.5 -2,-0.1 -4,-0.3 -1,-0.1 0.793 80.1 50.1 -63.6 -27.6 -5.7 8.1 -3.2 157 50 B D T 3 S+ 0 0 143 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.388 95.3 92.9 -92.6 -0.8 -9.4 7.9 -2.2 158 51 B K S < S- 0 0 97 -3,-1.5 -3,-0.0 1,-0.1 0, 0.0 -0.640 85.1-101.2 -85.4 151.4 -8.7 7.2 1.5 159 52 B S > - 0 0 68 -2,-0.2 3,-2.1 1,-0.1 6,-0.3 -0.418 28.3-122.2 -56.9 144.6 -8.4 9.7 4.3 160 53 B P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.777 116.1 51.3 -62.4 -20.1 -4.8 10.6 5.3 161 54 B D T 3 S+ 0 0 104 4,-0.1 -2,-0.1 5,-0.0 5,-0.0 0.245 85.5 124.5 -95.1 7.7 -5.8 9.4 8.8 162 55 B S S <> S- 0 0 12 -3,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.260 76.0-112.8 -64.3 157.4 -7.3 6.0 7.7 163 56 B P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.879 119.1 55.6 -54.8 -36.9 -6.1 2.6 9.1 164 57 B E H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 107.2 47.3 -66.3 -41.6 -4.6 1.8 5.6 165 58 B M H > S+ 0 0 7 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.890 110.9 51.7 -69.2 -33.9 -2.5 5.1 5.5 166 59 B H H X S+ 0 0 41 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.929 112.5 47.0 -62.7 -43.3 -1.2 4.4 9.2 167 60 B D H X S+ 0 0 28 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.897 111.2 51.1 -66.5 -44.0 -0.2 0.8 8.0 168 61 B F H X S+ 0 0 8 -4,-2.5 4,-0.7 2,-0.2 3,-0.4 0.957 113.3 43.6 -56.9 -55.0 1.5 2.2 4.9 169 62 B R H >X S+ 0 0 53 -4,-2.5 4,-1.3 1,-0.2 3,-0.9 0.900 108.3 61.1 -57.8 -41.4 3.6 4.8 6.8 170 63 B H H 3X S+ 0 0 29 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.869 93.3 64.5 -57.3 -37.5 4.4 2.1 9.5 171 64 B G H 3X S+ 0 0 22 -4,-1.6 4,-2.4 -3,-0.4 -1,-0.2 0.855 101.1 49.8 -56.9 -34.6 6.2 -0.1 6.9 172 65 B F H <>S+ 0 0 12 -4,-1.6 5,-1.8 1,-0.2 3,-0.8 0.939 112.3 51.0 -66.4 -44.9 27.0 -5.5 11.8 186 79 B A H ><5S+ 0 0 2 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.848 112.4 47.3 -64.4 -35.5 28.5 -3.9 8.5 187 80 B N H 3<5S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.700 108.1 59.9 -75.9 -14.6 30.7 -1.5 10.7 188 81 B c T <<5S- 0 0 24 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.1 0.001 119.6 -96.3-101.3 11.2 31.9 -4.4 13.0 189 82 B G T < 5S+ 0 0 70 -3,-0.7 -3,-0.2 1,-0.1 3,-0.1 0.847 92.4 119.6 67.5 33.9 33.6 -6.8 10.6 190 83 B K >< + 0 0 30 -5,-1.8 4,-2.2 -6,-0.1 5,-0.1 -0.465 22.4 146.8-123.5 59.7 30.5 -8.9 10.2 191 84 B V H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 71.6 49.9 -67.6 -44.9 29.9 -8.4 6.4 192 85 B K H > S+ 0 0 162 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 111.9 49.4 -58.6 -42.3 28.4 -11.9 5.7 193 86 B E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 110.3 51.1 -64.0 -42.4 25.9 -11.4 8.7 194 87 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.882 108.8 51.6 -62.2 -39.6 25.0 -7.9 7.2 195 88 B Q H X S+ 0 0 40 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.903 110.0 48.9 -65.1 -39.8 24.3 -9.5 3.8 196 89 B A H X S+ 0 0 32 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.908 109.3 52.6 -64.0 -39.0 22.0 -12.1 5.5 197 90 B A H X S+ 0 0 26 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.907 106.7 53.4 -62.6 -39.5 20.1 -9.3 7.3 198 91 B A H X S+ 0 0 3 -4,-2.0 4,-0.6 2,-0.2 3,-0.5 0.906 103.3 56.1 -64.6 -38.4 19.6 -7.5 3.9 199 92 B E H >< S+ 0 0 91 -4,-1.8 3,-1.2 1,-0.2 4,-0.3 0.918 104.9 54.3 -56.2 -42.8 18.0 -10.8 2.5 200 93 B Q H >X S+ 0 0 47 -4,-1.7 3,-1.4 1,-0.2 4,-0.6 0.793 92.5 71.0 -67.7 -21.6 15.5 -10.6 5.5 201 94 B L H >X S+ 0 0 4 -4,-1.2 4,-1.8 -3,-0.5 3,-1.0 0.827 83.7 73.9 -57.8 -32.3 14.5 -7.0 4.5 202 95 B K H S+ 0 0 45 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.2 0.902 105.9 47.1 -62.2 -36.5 10.0 -9.8 3.7 204 97 B T H X S+ 0 0 31 -4,-1.9 4,-2.7 1,-0.2 3,-0.6 0.938 113.6 52.2 -65.6 -42.8 3.7 -3.9 1.7 209 102 B H H 3X S+ 0 0 52 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.917 104.8 55.8 -60.2 -40.9 3.6 -4.7 -2.1 210 103 B Q H 3< S+ 0 0 177 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 118.9 33.6 -61.4 -30.4 1.0 -7.5 -1.5 211 104 B K H << S+ 0 0 90 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.836 134.8 15.1 -87.4 -43.1 -1.4 -5.0 0.2 212 105 B Y H < 0 0 31 -4,-2.7 -58,-0.5 -5,-0.1 -3,-0.2 0.449 360.0 360.0-128.6 -6.5 -0.8 -1.6 -1.5 213 106 B R < 0 0 199 -4,-1.8 0, 0.0 -5,-0.4 0, 0.0 -0.725 360.0 360.0 -89.8 360.0 1.1 -2.0 -4.9 214 !* 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 0.000 360.0 360.0 360.0 161.4 13.8 -14.6 41.9 216 2 C D > - 0 0 92 1,-0.1 4,-1.9 41,-0.0 5,-0.2 -0.207 360.0 -97.7 -76.6 174.7 11.7 -11.9 43.5 217 3 C L H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 121.0 49.9 -66.3 -42.5 11.6 -8.2 42.4 218 4 C E H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 108.9 52.4 -66.0 -34.1 14.1 -6.9 45.1 219 5 C D H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 110.7 48.3 -63.3 -45.1 16.7 -9.7 44.2 220 6 C N H X S+ 0 0 11 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.869 108.7 54.0 -64.0 -35.3 16.6 -8.7 40.5 221 7 C M H X S+ 0 0 55 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.892 105.5 53.1 -66.9 -39.4 17.0 -4.9 41.4 222 8 C E H X S+ 0 0 109 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.906 109.0 50.3 -59.9 -39.9 20.2 -5.8 43.4 223 9 C T H X S+ 0 0 50 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.934 111.2 47.8 -63.2 -42.0 21.5 -7.6 40.2 224 10 C L H X S+ 0 0 20 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.943 115.3 45.4 -64.4 -45.4 20.7 -4.5 38.0 225 11 C N H X S+ 0 0 80 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.917 113.4 48.2 -66.3 -45.7 22.4 -2.1 40.5 226 12 C D H X S+ 0 0 82 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.886 113.0 48.0 -62.4 -41.5 25.6 -4.2 41.1 227 13 C N H X S+ 0 0 17 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.827 104.1 58.4 -75.0 -29.2 26.2 -4.8 37.4 228 14 C L H X S+ 0 0 24 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.935 108.0 48.7 -61.4 -39.3 25.8 -1.1 36.5 229 15 C K H X S+ 0 0 120 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.916 108.2 54.0 -63.8 -42.4 28.7 -0.3 38.9 230 16 C V H X S+ 0 0 67 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.926 108.3 50.2 -59.3 -42.1 30.8 -3.2 37.3 231 17 C I H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.935 107.4 53.4 -64.9 -42.9 30.3 -1.5 33.8 232 18 C E H 3< S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 118.3 35.4 -57.1 -37.8 31.4 2.0 35.1 233 19 C K H 3< S+ 0 0 146 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.434 91.2 130.2 -99.9 6.3 34.7 0.5 36.5 234 20 C A << - 0 0 18 -3,-0.9 3,-0.1 -4,-0.8 -3,-0.1 -0.177 42.3-163.1 -68.7 148.3 35.4 -2.1 33.7 235 21 C D + 0 0 143 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.584 66.9 18.6 -94.9 -23.8 38.8 -2.4 31.9 236 22 C N S > S- 0 0 74 1,-0.1 4,-1.8 62,-0.1 5,-0.1 -0.936 76.8 -97.2-151.2 170.7 37.7 -4.5 28.8 237 23 C A H > S+ 0 0 31 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.841 114.7 56.4 -62.6 -40.9 35.0 -5.9 26.5 238 24 C A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 108.9 48.3 -62.8 -43.5 34.5 -9.3 28.2 239 25 C Q H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 114.7 44.9 -59.1 -47.9 33.7 -7.6 31.6 240 26 C V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.911 114.1 48.5 -66.6 -44.8 31.2 -5.1 29.9 241 27 C K H X S+ 0 0 39 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.916 111.8 49.2 -61.7 -43.0 29.5 -7.9 27.8 242 28 C D H X S+ 0 0 87 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.914 114.0 46.1 -62.5 -44.9 29.1 -10.3 30.9 243 29 C A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 113.0 49.2 -66.8 -41.9 27.6 -7.5 33.1 244 30 C L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.915 110.9 51.1 -61.8 -42.1 25.1 -6.3 30.3 245 31 C T H X S+ 0 0 43 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.921 109.4 49.5 -60.8 -45.7 24.0 -10.0 29.7 246 32 C K H X S+ 0 0 101 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.893 110.0 52.3 -61.3 -39.9 23.3 -10.4 33.5 247 33 C M H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 107.8 50.6 -61.7 -45.3 21.3 -7.2 33.5 248 34 C A H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 110.5 49.7 -61.8 -43.7 19.1 -8.4 30.5 249 35 C A H X S+ 0 0 62 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.915 111.6 48.7 -61.2 -41.1 18.3 -11.7 32.4 250 36 C A H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.916 111.3 49.8 -66.6 -37.7 17.4 -9.8 35.6 251 37 C A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.922 110.2 50.8 -66.6 -43.9 15.0 -7.4 33.6 252 38 C A H < S+ 0 0 41 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.887 114.1 43.7 -63.3 -38.0 13.3 -10.4 31.9 253 39 C D H >< S+ 0 0 65 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.802 109.3 56.4 -74.9 -31.0 12.7 -12.1 35.3 254 40 C A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.788 89.0 79.6 -68.0 -27.8 11.5 -8.8 37.1 255 41 C W T 3< S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.796 86.2 56.6 -55.7 -31.0 8.8 -8.5 34.3 256 42 C S T < S+ 0 0 85 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.538 89.3 102.2 -82.2 -3.2 6.4 -11.1 36.1 257 43 C A < - 0 0 19 -3,-2.0 -41,-0.0 -4,-0.1 -3,-0.0 -0.346 62.5-143.9 -82.3 154.9 6.3 -9.2 39.5 258 44 C T - 0 0 77 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.986 28.0-134.3-110.0 117.9 3.5 -7.0 41.0 259 45 C P > - 0 0 5 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.373 20.1-110.3 -71.4 154.6 5.2 -4.2 43.0 260 46 C P G > S+ 0 0 101 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.849 116.2 55.6 -51.8 -43.7 3.9 -3.3 46.5 261 47 C K G 3 S+ 0 0 133 58,-0.5 3,-0.2 1,-0.2 59,-0.1 0.698 112.5 43.4 -65.8 -14.8 2.4 0.2 45.4 262 48 C L G X S+ 0 0 9 -3,-1.7 3,-1.2 57,-0.1 -1,-0.2 0.209 78.4 110.9-112.3 12.5 0.3 -1.6 42.7 263 49 C E T < S+ 0 0 142 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.818 79.8 48.5 -61.8 -27.9 -0.9 -4.6 44.8 264 50 C D T 3 S+ 0 0 138 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.604 95.8 93.0 -87.8 -13.4 -4.5 -3.3 44.9 265 51 C K S < S- 0 0 81 -3,-1.2 -3,-0.0 1,-0.1 0, 0.0 -0.409 83.2-102.5 -77.6 160.1 -4.7 -2.7 41.1 266 52 C S > - 0 0 70 1,-0.1 3,-1.9 -2,-0.1 6,-0.3 -0.472 26.6-116.6 -75.9 149.2 -6.0 -5.2 38.6 267 53 C P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.792 117.1 46.4 -54.0 -31.3 -3.5 -7.3 36.4 268 54 C D T 3 S+ 0 0 101 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.251 85.2 126.4 -95.6 9.7 -4.9 -5.6 33.3 269 55 C S S <> S- 0 0 11 -3,-1.9 4,-2.2 1,-0.1 3,-0.3 -0.279 74.0-114.3 -65.9 156.3 -4.9 -2.0 34.6 270 56 C P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.855 118.1 56.7 -59.0 -35.3 -3.1 0.8 32.6 271 57 C E H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 105.9 47.7 -63.7 -44.6 -0.6 1.1 35.6 272 58 C M H > S+ 0 0 7 -6,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.896 111.4 51.9 -66.0 -36.2 0.4 -2.6 35.3 273 59 C H H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 112.1 46.1 -59.5 -45.2 0.8 -2.2 31.4 274 60 C D H X S+ 0 0 31 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.896 111.1 52.1 -68.4 -41.5 3.1 0.8 32.0 275 61 C F H >X S+ 0 0 7 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.958 113.2 43.7 -57.2 -54.1 5.2 -1.0 34.8 276 62 C R H >X S+ 0 0 54 -4,-2.5 4,-1.2 1,-0.2 3,-1.2 0.899 106.1 63.6 -61.3 -36.6 5.8 -4.1 32.4 277 63 C H H 3X S+ 0 0 31 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.835 92.2 63.7 -56.9 -37.7 6.6 -1.7 29.5 278 64 C G H <>S+ 0 0 13 -4,-1.6 5,-1.9 1,-0.2 3,-1.1 0.944 112.4 49.5 -62.1 -47.7 28.9 -1.5 20.7 293 79 C A H 3<5S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.793 112.5 48.2 -64.8 -29.4 30.8 -3.6 23.4 294 80 C N H 3<5S+ 0 0 46 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.564 108.5 56.4 -83.6 -9.7 31.4 -6.5 20.9 295 81 C c T <<5S- 0 0 35 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.1 -0.065 121.4 -87.7-123.3 34.2 32.7 -4.2 18.1 296 82 C G T 5S+ 0 0 76 -3,-0.5 -3,-0.2 1,-0.1 3,-0.1 0.778 100.0 109.5 69.6 26.2 35.7 -2.2 19.6 297 83 C K >< + 0 0 46 -5,-1.9 4,-2.1 -6,-0.2 5,-0.2 -0.383 27.7 141.5-125.9 52.4 33.4 0.6 20.9 298 84 C V H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 71.9 51.3 -68.2 -38.7 33.8 -0.2 24.7 299 85 C K H > S+ 0 0 171 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 111.0 49.2 -64.1 -39.3 33.9 3.6 25.8 300 86 C E H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 110.2 51.8 -65.2 -37.8 30.6 4.2 23.7 301 87 C A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.891 108.2 51.2 -67.6 -39.9 29.0 1.1 25.5 302 88 C Q H X S+ 0 0 49 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.919 110.5 48.9 -62.5 -39.4 30.0 2.5 29.0 303 89 C A H X S+ 0 0 37 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.904 109.0 52.5 -65.6 -44.0 28.3 5.9 28.0 304 90 C A H X S+ 0 0 24 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.888 106.7 54.1 -55.4 -43.7 25.1 3.9 26.7 305 91 C A H >X S+ 0 0 2 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.919 104.0 54.6 -62.4 -40.2 25.0 2.2 30.2 306 92 C E H >< S+ 0 0 111 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.913 103.2 56.7 -54.3 -41.4 25.0 5.6 31.9 307 93 C Q H >< S+ 0 0 46 -4,-1.7 3,-1.5 1,-0.2 4,-0.5 0.751 90.1 73.8 -66.7 -21.8 21.9 6.6 29.8 308 94 C L H XX S+ 0 0 4 -4,-1.0 4,-1.9 -3,-0.8 3,-1.1 0.804 80.1 74.7 -56.1 -29.5 20.0 3.5 31.2 309 95 C K H S+ 0 0 46 -3,-1.5 4,-2.0 -4,-0.3 -1,-0.3 0.908 106.4 44.8 -63.0 -40.6 17.0 7.6 32.8 311 97 C T H <> S+ 0 0 15 -3,-1.1 4,-1.8 -4,-0.5 -2,-0.2 0.928 114.2 49.3 -70.1 -44.6 14.7 4.4 32.4 312 98 C C H X S+ 0 0 36 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.942 113.4 46.7 -56.2 -49.2 15.5 3.2 36.1 313 99 C N H X S+ 0 0 100 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.884 108.0 54.9 -68.4 -38.2 14.6 6.7 37.5 314 100 C A H X S+ 0 0 15 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.912 112.1 43.4 -59.9 -50.9 11.3 7.1 35.5 315 101 C C H X S+ 0 0 30 -4,-1.8 4,-2.8 1,-0.2 5,-0.4 0.926 113.4 51.4 -64.3 -44.2 9.9 3.8 36.8 316 102 C H H X S+ 0 0 50 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.899 105.9 56.0 -58.8 -43.4 11.1 4.6 40.5 317 103 C Q H < S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 118.6 32.3 -59.3 -35.8 9.4 8.1 40.4 318 104 C K H < S+ 0 0 80 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.866 135.5 16.0 -86.8 -39.1 6.0 6.5 39.5 319 105 C Y H < 0 0 32 -4,-2.8 -58,-0.5 -5,-0.1 -3,-0.2 0.486 360.0 360.0-126.7 -11.4 6.0 3.1 41.3 320 106 C R < 0 0 193 -4,-1.8 0, 0.0 -5,-0.4 0, 0.0 -0.707 360.0 360.0 -89.2 360.0 8.8 2.7 44.0 321 !* 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 96 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.2 12.8 -25.6 29.4 323 2 D D > - 0 0 92 1,-0.1 4,-1.9 41,-0.0 5,-0.2 -0.251 360.0 -98.7 -77.5 172.9 15.2 -27.3 27.0 324 3 D L H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 121.8 51.5 -64.5 -43.8 15.6 -25.9 23.3 325 4 D E H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 110.3 49.4 -58.3 -41.2 13.2 -28.5 21.7 326 5 D D H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 110.5 50.7 -65.4 -40.4 10.4 -27.6 24.3 327 6 D N H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.893 108.1 52.9 -67.8 -37.4 10.8 -23.9 23.7 328 7 D M H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.887 106.5 52.8 -62.5 -43.5 10.5 -24.5 19.9 329 8 D E H X S+ 0 0 104 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.905 108.6 50.6 -54.7 -48.6 7.2 -26.4 20.5 330 9 D T H X S+ 0 0 54 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.909 110.9 48.8 -59.1 -42.1 5.9 -23.4 22.5 331 10 D L H X S+ 0 0 21 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.944 114.3 44.9 -63.0 -47.4 6.9 -21.0 19.6 332 11 D N H X S+ 0 0 84 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.913 112.8 49.4 -66.3 -42.0 5.2 -23.2 16.9 333 12 D D H X S+ 0 0 84 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.887 113.0 47.1 -63.5 -43.8 1.9 -23.8 18.9 334 13 D N H X S+ 0 0 16 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.826 103.9 59.2 -70.9 -34.0 1.4 -20.1 19.7 335 14 D L H X S+ 0 0 23 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.945 108.0 48.7 -58.4 -40.6 2.1 -18.9 16.2 336 15 D K H X S+ 0 0 115 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.916 106.5 55.3 -66.3 -43.9 -0.9 -21.2 15.1 337 16 D V H X S+ 0 0 66 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.905 106.9 51.2 -52.2 -45.1 -3.2 -19.8 17.9 338 17 D I H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.926 106.2 54.2 -63.2 -42.6 -2.6 -16.2 16.6 339 18 D E H 3< S+ 0 0 123 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.886 118.8 34.0 -55.2 -44.0 -3.5 -17.2 13.0 340 19 D K H 3< S+ 0 0 165 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.351 89.7 142.8 -95.8 3.6 -6.9 -18.6 14.2 341 20 D A << - 0 0 20 -3,-0.9 3,-0.1 -4,-0.7 -3,-0.1 -0.138 43.5-153.1 -61.1 148.1 -7.7 -16.1 17.1 342 21 D D S S- 0 0 138 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.617 71.6 -9.6 -85.8 -25.0 -11.2 -14.8 17.9 343 22 D N S > S- 0 0 76 1,-0.1 4,-1.7 62,-0.1 3,-0.3 -0.971 78.4 -81.3-165.2 174.6 -10.1 -11.4 19.5 344 23 D A H > S+ 0 0 29 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.828 118.3 60.8 -60.4 -37.4 -7.3 -9.1 20.8 345 24 D A H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 106.0 46.7 -60.4 -43.0 -7.1 -10.9 24.2 346 25 D Q H > S+ 0 0 66 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.893 113.1 49.3 -67.6 -41.7 -6.2 -14.2 22.6 347 26 D V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.925 112.1 48.0 -61.8 -49.3 -3.5 -12.6 20.3 348 27 D K H X S+ 0 0 41 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.923 111.7 49.4 -57.7 -45.3 -1.8 -10.7 23.2 349 28 D D H X S+ 0 0 83 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.922 113.4 46.6 -64.8 -41.4 -1.7 -13.9 25.4 350 29 D A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.904 111.6 50.5 -64.9 -46.8 -0.1 -16.0 22.6 351 30 D L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.882 110.2 51.1 -60.2 -39.7 2.5 -13.3 21.7 352 31 D T H X S+ 0 0 43 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.920 108.0 50.5 -66.8 -44.2 3.5 -13.0 25.4 353 32 D K H X S+ 0 0 101 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.876 109.6 53.0 -55.9 -38.8 4.0 -16.9 25.7 354 33 D M H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 107.7 50.0 -62.9 -47.8 6.3 -16.6 22.4 355 34 D A H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.912 109.9 50.8 -60.5 -45.7 8.5 -13.9 24.0 356 35 D A H X S+ 0 0 66 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.914 110.9 48.5 -57.5 -42.8 9.0 -16.0 27.3 357 36 D A H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.903 110.8 50.7 -66.9 -41.0 10.0 -19.1 25.2 358 37 D A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.909 109.5 50.0 -60.4 -45.4 12.6 -16.9 23.1 359 38 D A H < S+ 0 0 40 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.871 114.3 45.9 -61.7 -36.2 14.2 -15.5 26.2 360 39 D D H >< S+ 0 0 65 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.847 110.3 53.3 -73.9 -37.2 14.5 -19.1 27.6 361 40 D A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.750 90.5 76.5 -67.2 -30.0 15.9 -20.6 24.2 362 41 D W T 3< S+ 0 0 69 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.768 86.4 61.4 -55.9 -30.5 18.7 -18.0 24.0 363 42 D S T < S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.515 86.8 100.2 -80.2 0.7 20.7 -19.9 26.7 364 43 D A < - 0 0 22 -3,-1.9 -41,-0.0 -4,-0.1 -3,-0.0 -0.396 64.1-144.0 -89.0 152.0 21.0 -23.1 24.7 365 44 D T - 0 0 79 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.992 30.5-134.3-105.0 120.6 23.9 -24.4 22.6 366 45 D P > - 0 0 5 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.437 20.7-107.6 -77.3 155.5 22.3 -26.1 19.6 367 46 D P G > S+ 0 0 107 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.867 117.0 55.1 -50.1 -43.8 23.6 -29.7 18.4 368 47 D K G 3 S+ 0 0 131 58,-0.5 3,-0.2 1,-0.2 59,-0.1 0.638 112.0 43.0 -68.8 -12.1 25.3 -28.3 15.2 369 48 D L G X S+ 0 0 7 -3,-2.0 3,-2.0 57,-0.1 -1,-0.2 0.212 77.4 109.6-114.1 11.5 27.4 -25.7 17.2 370 49 D E T < S+ 0 0 146 -3,-1.4 -2,-0.1 -4,-0.4 -1,-0.1 0.770 80.9 50.0 -58.9 -28.1 28.4 -28.0 20.2 371 50 D D T 3 S+ 0 0 136 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.310 95.8 93.3 -90.3 1.9 32.1 -28.1 18.9 372 51 D K S < S- 0 0 90 -3,-2.0 -3,-0.1 1,-0.1 0, 0.0 -0.672 82.1-102.5 -97.1 155.0 32.3 -24.2 18.6 373 52 D S > - 0 0 65 -2,-0.2 3,-1.6 1,-0.1 6,-0.3 -0.377 26.7-121.3 -64.2 148.1 33.7 -21.6 21.1 374 53 D P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.770 117.1 48.6 -59.5 -22.1 31.0 -19.6 23.1 375 54 D D T 3 S+ 0 0 98 4,-0.1 -2,-0.0 5,-0.0 5,-0.0 0.291 86.0 123.3-101.8 9.4 32.7 -16.5 21.7 376 55 D S S <> S- 0 0 13 -3,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.279 75.4-116.2 -66.7 154.3 32.7 -17.8 18.0 377 56 D P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.861 116.6 56.6 -60.0 -34.5 31.0 -15.6 15.3 378 57 D E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 107.3 46.2 -60.9 -46.2 28.5 -18.6 14.8 379 58 D M H > S+ 0 0 7 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.898 112.0 51.6 -68.0 -33.6 27.4 -18.6 18.5 380 59 D H H X S+ 0 0 35 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.926 112.4 46.0 -64.3 -43.8 27.0 -14.7 18.4 381 60 D D H X S+ 0 0 27 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.900 112.2 51.2 -67.0 -39.8 24.8 -15.0 15.2 382 61 D F H >X S+ 0 0 8 -4,-2.5 4,-0.7 1,-0.2 3,-0.5 0.959 113.3 44.3 -58.7 -56.0 22.7 -17.8 16.8 383 62 D R H >X S+ 0 0 51 -4,-2.5 4,-1.2 1,-0.2 3,-1.2 0.917 106.6 62.6 -56.2 -40.9 22.1 -15.8 20.1 384 63 D H H 3X S+ 0 0 28 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.854 91.5 64.5 -56.4 -37.4 21.3 -12.6 18.0 385 64 D G H <>S+ 0 0 11 -4,-1.7 5,-2.0 1,-0.2 3,-1.1 0.948 112.1 49.4 -61.1 -46.9 -0.7 -3.2 17.7 400 79 D A H ><5S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.818 111.9 48.2 -62.9 -36.6 -2.7 -5.9 19.5 401 80 D N H 3<5S+ 0 0 61 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.591 108.4 59.4 -76.5 -11.8 -3.4 -3.7 22.6 402 81 D a T <<5S- 0 0 25 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 -0.010 120.0 -93.7-109.2 15.2 -4.5 -0.8 20.3 403 82 D G T < 5S+ 0 0 69 -3,-0.6 2,-0.3 1,-0.1 3,-0.2 0.659 94.8 116.3 76.7 15.3 -7.5 -2.1 18.3 404 83 D K >< + 0 0 41 -5,-2.0 4,-2.0 -6,-0.2 5,-0.1 -0.462 25.6 144.9-112.3 56.4 -5.2 -3.1 15.4 405 84 D V H > + 0 0 37 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.892 69.2 49.9 -68.5 -41.1 -5.7 -6.9 15.5 406 85 D K H > S+ 0 0 170 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 112.9 50.3 -63.3 -40.5 -5.6 -7.7 11.8 407 86 D E H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.874 109.6 50.4 -62.3 -42.1 -2.3 -5.7 11.6 408 87 D A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 109.5 50.7 -63.8 -39.1 -0.9 -7.7 14.7 409 88 D Q H X S+ 0 0 56 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 110.3 50.1 -68.0 -35.9 -1.8 -11.0 12.9 410 89 D A H X S+ 0 0 35 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.910 109.6 50.9 -67.8 -41.8 0.0 -9.8 9.7 411 90 D A H X S+ 0 0 26 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.906 107.0 53.9 -57.7 -41.5 3.1 -8.9 11.9 412 91 D A H >X S+ 0 0 3 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.917 105.4 53.3 -63.2 -40.4 3.1 -12.4 13.5 413 92 D E H >< S+ 0 0 111 -4,-1.9 3,-1.2 1,-0.2 4,-0.2 0.891 103.3 58.0 -62.0 -35.6 3.1 -14.0 9.9 414 93 D Q H >X S+ 0 0 55 -4,-1.6 3,-1.4 1,-0.2 4,-0.5 0.746 89.4 73.9 -69.3 -18.5 6.3 -11.8 9.2 415 94 D L H XX S+ 0 0 3 -3,-0.9 4,-2.1 -4,-0.9 3,-1.0 0.811 79.7 74.4 -59.3 -30.6 8.1 -13.5 12.3 416 95 D K H S+ 0 0 21 -3,-1.4 4,-1.9 -4,-0.2 -1,-0.3 0.900 106.6 42.8 -55.5 -46.3 11.2 -14.8 8.1 418 97 D T H