==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-AUG-09 3IQ5 . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.N.BRODIN,F.A.TEZCAN . 424 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 82.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.0 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 . 5 1.2 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 1 1 0 0 0 0 0 5 3 0 0 0 3 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 43 0, 0.0 206,-0.1 0, 0.0 205,-0.1 0.000 360.0 360.0 360.0 165.4 10.2 19.8 -3.7 2 2 A D > - 0 0 27 204,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.218 360.0-120.4 -63.3 155.6 8.9 22.5 -6.0 3 3 A L H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 119.1 50.6 -65.5 -41.1 10.7 25.8 -6.2 4 4 A E H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 111.0 47.9 -63.2 -42.0 7.4 27.4 -5.0 5 5 A D H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.939 112.9 47.5 -64.2 -46.0 7.2 24.9 -2.2 6 6 A N H X S+ 0 0 10 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.922 110.6 52.4 -62.9 -40.2 10.8 25.5 -1.1 7 7 A M H X S+ 0 0 51 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.848 106.6 54.4 -62.9 -34.6 10.3 29.3 -1.3 8 8 A E H X S+ 0 0 77 -4,-1.7 4,-2.7 -5,-0.2 5,-0.3 0.910 108.5 47.0 -68.3 -39.5 7.3 29.0 1.0 9 9 A T H X S+ 0 0 34 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 112.3 50.9 -70.8 -30.6 9.1 27.2 3.7 10 10 A L H X S+ 0 0 12 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.955 114.4 43.7 -65.9 -47.2 12.0 29.7 3.5 11 11 A N H X S+ 0 0 76 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.931 114.5 48.5 -64.6 -47.4 9.6 32.7 3.8 12 12 A D H X S+ 0 0 43 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.883 112.4 47.6 -62.7 -39.3 7.5 31.2 6.6 13 13 A N H X S+ 0 0 13 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.814 104.8 59.3 -74.6 -24.9 10.4 30.2 8.7 14 14 A L H X S+ 0 0 10 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.944 107.4 48.4 -64.6 -42.6 12.1 33.5 8.3 15 15 A K H X S+ 0 0 97 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.902 107.7 54.2 -62.2 -43.7 8.9 35.0 9.9 16 16 A V H X S+ 0 0 55 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.885 110.2 48.2 -56.4 -40.1 9.1 32.5 12.7 17 17 A I H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.931 106.8 54.4 -69.2 -44.9 12.7 33.6 13.4 18 18 A E H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 117.7 37.7 -61.0 -25.8 11.8 37.3 13.4 19 19 A K H 3< S+ 0 0 159 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.526 90.9 128.9-100.9 -9.7 9.1 36.6 16.0 20 20 A A << - 0 0 13 -4,-1.0 -3,-0.1 -3,-0.6 3,-0.1 -0.011 39.6-168.2 -51.4 148.8 11.0 33.9 18.1 21 21 A D + 0 0 133 1,-0.1 2,-0.2 63,-0.0 -1,-0.1 0.719 69.7 21.8-106.4 -36.4 11.5 34.1 21.9 22 22 A N S > S- 0 0 66 62,-0.1 4,-1.1 1,-0.1 5,-0.1 -0.645 78.7-104.0-126.4-175.9 14.1 31.4 22.3 23 23 A A H > S+ 0 0 27 -2,-0.2 4,-3.4 2,-0.2 5,-0.3 0.828 110.0 64.8 -79.6 -36.3 16.8 29.4 20.6 24 24 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 106.8 45.2 -52.9 -45.9 14.9 26.1 20.2 25 25 A Q H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 115.4 44.5 -65.4 -46.1 12.5 28.0 17.9 26 26 A V H X S+ 0 0 0 -4,-1.1 4,-3.2 2,-0.2 5,-0.3 0.939 114.2 50.7 -66.0 -45.8 15.1 29.8 15.8 27 27 A K H X S+ 0 0 83 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.915 110.9 47.9 -56.8 -48.1 17.2 26.6 15.5 28 28 A D H X S+ 0 0 82 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.919 114.2 47.6 -61.3 -43.4 14.2 24.6 14.3 29 29 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 112.4 47.2 -64.0 -48.7 13.3 27.3 11.8 30 30 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.894 108.9 56.7 -61.4 -37.6 16.9 27.7 10.4 31 31 A T H X S+ 0 0 67 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.940 107.8 46.2 -60.4 -45.7 17.1 23.9 10.2 32 32 A K H X S+ 0 0 51 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.847 111.7 53.3 -64.4 -33.5 14.1 23.7 8.0 33 33 A M H X S+ 0 0 3 -4,-1.9 4,-3.6 2,-0.2 5,-0.3 0.926 105.2 53.3 -66.6 -44.2 15.4 26.6 5.9 34 34 A A H X S+ 0 0 14 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.943 109.9 48.3 -56.6 -48.3 18.7 24.8 5.3 35 35 A A H X S+ 0 0 64 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.934 114.0 45.4 -60.2 -44.5 16.8 21.8 4.0 36 36 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 113.8 49.6 -66.9 -40.7 14.7 23.9 1.7 37 37 A A H X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.2 -2,-0.2 0.929 110.8 50.6 -60.6 -45.5 17.7 25.9 0.5 38 38 A A H < S+ 0 0 55 -4,-3.0 4,-0.4 -5,-0.3 -2,-0.2 0.893 112.5 45.8 -61.2 -40.8 19.6 22.7 -0.2 39 39 A D H >< S+ 0 0 71 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.852 112.9 49.6 -70.3 -37.1 16.7 21.2 -2.2 40 40 A A H >< S+ 0 0 1 -4,-2.2 3,-2.9 1,-0.2 -1,-0.2 0.766 87.9 87.5 -70.9 -29.0 16.2 24.4 -4.2 41 41 A W T 3< S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 93.7 41.0 -42.1 -36.1 19.9 24.6 -5.0 42 42 A S T < S+ 0 0 102 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.262 90.4 116.6-102.5 13.5 19.4 22.4 -8.1 43 43 A A < - 0 0 24 -3,-2.9 -3,-0.0 -41,-0.0 -41,-0.0 -0.357 58.4-137.0 -80.6 160.5 16.2 23.8 -9.4 44 44 A T - 0 0 73 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.976 24.5-137.0-116.2 115.9 15.7 25.6 -12.7 45 45 A P > - 0 0 4 0, 0.0 3,-3.0 0, 0.0 4,-0.5 -0.417 20.5-111.0 -74.6 150.1 13.6 28.7 -12.4 46 46 A P G > S+ 0 0 96 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.875 115.9 55.1 -42.9 -51.0 10.9 29.6 -14.9 47 47 A K G 3 S+ 0 0 134 58,-0.5 59,-0.1 1,-0.3 3,-0.0 0.455 113.5 40.9 -69.7 3.4 12.8 32.6 -16.3 48 48 A L G X S+ 0 0 8 -3,-3.0 3,-1.7 57,-0.1 -1,-0.3 0.237 78.4 109.8-130.7 12.1 15.9 30.5 -17.1 49 49 A E T < S+ 0 0 140 -3,-1.7 -2,-0.1 -4,-0.5 -1,-0.1 0.753 82.4 48.6 -60.1 -26.9 14.1 27.4 -18.5 50 50 A D T 3 S+ 0 0 133 -4,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.443 96.4 96.0 -94.5 2.8 15.4 28.2 -22.0 51 51 A K S < S- 0 0 81 -3,-1.7 -3,-0.1 1,-0.1 0, 0.0 -0.532 86.7 -98.1 -89.1 156.7 18.9 28.7 -20.8 52 52 A S > - 0 0 64 -2,-0.2 3,-2.1 1,-0.1 6,-0.4 -0.458 29.5-122.7 -69.2 144.4 21.7 26.2 -20.8 53 53 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.758 116.4 49.2 -60.3 -18.2 22.2 24.5 -17.4 54 54 A D T 3 S+ 0 0 80 4,-0.1 240,-0.0 240,-0.1 -2,-0.0 0.310 84.1 125.7-103.6 6.3 25.7 25.8 -17.7 55 55 A S S <> S- 0 0 12 -3,-2.1 4,-2.4 1,-0.1 5,-0.2 -0.160 75.4-112.6 -61.2 158.7 24.9 29.4 -18.6 56 56 A P H > S+ 0 0 72 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 119.4 57.1 -62.3 -33.0 26.3 32.2 -16.5 57 57 A E H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.963 109.6 41.5 -61.1 -53.1 22.8 32.8 -15.4 58 58 A M H > S+ 0 0 6 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.828 114.2 52.7 -64.8 -34.0 22.3 29.3 -14.0 59 59 A H H X S+ 0 0 31 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.891 112.7 45.2 -67.3 -39.7 25.7 29.3 -12.5 60 60 A D H X S+ 0 0 43 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.858 110.0 55.1 -70.2 -37.1 24.9 32.6 -10.8 61 61 A F H X S+ 0 0 8 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.950 110.9 44.1 -59.0 -50.3 21.5 31.2 -9.8 62 62 A R H X S+ 0 0 62 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.832 108.3 59.8 -64.3 -32.0 23.1 28.2 -8.1 63 63 A H H X S+ 0 0 52 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.919 98.7 58.3 -63.9 -40.7 25.7 30.6 -6.6 64 64 A G H X S+ 0 0 15 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.896 108.0 44.4 -55.5 -45.5 22.9 32.5 -4.8 65 65 A F H X S+ 0 0 11 -4,-1.2 4,-3.1 2,-0.2 -1,-0.2 0.865 108.7 58.4 -69.2 -32.6 21.7 29.4 -2.9 66 66 A W H X S+ 0 0 37 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.951 110.5 43.5 -59.3 -44.4 25.3 28.5 -2.2 67 67 A I H X S+ 0 0 54 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.961 113.1 50.8 -62.7 -51.2 25.5 31.9 -0.4 68 68 A L H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.891 108.5 52.3 -54.6 -45.1 22.2 31.5 1.3 69 69 A I H X S+ 0 0 5 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.932 108.3 49.7 -58.7 -49.3 23.2 28.1 2.6 70 70 A G H X S+ 0 0 5 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.902 112.4 50.1 -56.4 -41.6 26.4 29.5 4.1 71 71 A Q H X S+ 0 0 44 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.883 110.4 47.9 -67.6 -36.0 24.3 32.2 5.7 72 72 A I H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.939 111.0 51.0 -70.7 -42.8 21.8 29.9 7.2 73 73 A H H X S+ 0 0 56 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.908 111.5 47.6 -61.3 -38.8 24.4 27.6 8.6 74 74 A D H X S+ 0 0 65 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.949 112.9 48.1 -67.4 -42.7 26.2 30.4 10.3 75 75 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.898 109.8 53.8 -60.7 -41.5 22.9 31.7 11.7 76 76 A L H X S+ 0 0 28 -4,-3.2 4,-2.8 1,-0.2 -1,-0.3 0.859 106.2 52.7 -61.2 -36.2 22.2 28.2 12.9 77 77 A H H X S+ 0 0 29 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.916 106.8 51.2 -66.6 -44.4 25.6 28.2 14.7 78 78 A L H ><>S+ 0 0 35 -4,-2.1 5,-2.5 1,-0.2 3,-0.6 0.905 112.6 48.1 -57.7 -40.5 24.7 31.4 16.4 79 79 A A H ><5S+ 0 0 2 -4,-2.1 3,-2.6 1,-0.2 -2,-0.2 0.932 104.5 57.3 -66.4 -46.1 21.4 29.8 17.5 80 80 A N H 3<5S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.649 105.0 54.9 -60.0 -14.0 23.1 26.6 18.7 81 81 A E T <<5S- 0 0 89 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.118 120.4-110.3-103.6 17.0 25.1 28.8 21.0 82 82 A G T < 5S+ 0 0 51 -3,-2.6 2,-1.6 1,-0.2 3,-0.2 0.674 74.1 141.9 63.0 14.9 22.0 30.3 22.5 83 83 A K >< + 0 0 74 -5,-2.5 4,-3.1 -6,-0.2 5,-0.2 -0.511 15.2 159.9 -89.8 72.3 22.8 33.6 20.7 84 84 A V H > + 0 0 32 -2,-1.6 4,-2.9 2,-0.2 5,-0.2 0.906 69.6 48.2 -58.1 -54.5 19.3 34.5 19.8 85 85 A K H > S+ 0 0 175 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.882 117.5 45.8 -57.2 -39.1 19.6 38.2 19.1 86 86 A E H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.920 110.5 50.7 -71.3 -46.2 22.7 37.4 17.0 87 87 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.910 112.7 48.9 -58.1 -40.6 21.0 34.6 15.1 88 88 A Q H X S+ 0 0 47 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.867 108.0 51.6 -68.3 -36.9 18.1 36.9 14.4 89 89 A A H X S+ 0 0 64 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.851 112.0 49.8 -66.8 -30.8 20.4 39.8 13.2 90 90 A A H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.886 109.1 49.4 -73.6 -41.3 21.9 37.1 10.9 91 91 A A H < S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.916 110.8 51.4 -65.1 -40.3 18.6 35.9 9.6 92 92 A E H >< S+ 0 0 101 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.878 109.5 51.2 -63.2 -38.1 17.6 39.6 8.9 93 93 A Q H >< S+ 0 0 128 -4,-1.5 3,-1.4 1,-0.2 4,-0.3 0.860 101.6 57.9 -68.6 -38.4 20.8 40.1 7.0 94 94 A L T >X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.3 3,-0.9 0.585 84.3 84.9 -71.3 -7.3 20.5 37.1 4.7 95 95 A K H <> S+ 0 0 63 -3,-0.7 4,-2.6 -4,-0.5 -1,-0.3 0.834 81.8 62.3 -60.8 -31.9 17.1 38.5 3.5 96 96 A a H <> S+ 0 0 83 -3,-1.4 4,-2.7 -4,-0.3 -1,-0.3 0.832 98.1 54.8 -65.0 -31.7 19.2 40.6 1.1 97 97 A T H <> S+ 0 0 21 -3,-0.9 4,-2.0 -4,-0.3 5,-0.3 0.931 108.0 49.2 -65.4 -47.4 20.4 37.4 -0.6 98 98 A C H X S+ 0 0 31 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.961 113.4 48.1 -52.9 -51.7 16.8 36.3 -1.1 99 99 A N H X S+ 0 0 95 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.858 107.3 55.1 -59.0 -42.1 16.2 39.8 -2.6 100 100 A A H X S+ 0 0 47 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.880 110.0 44.5 -61.9 -43.5 19.2 39.7 -4.9 101 101 A C H X S+ 0 0 26 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.902 112.6 52.8 -70.3 -37.2 18.2 36.5 -6.6 102 102 A H H X S+ 0 0 50 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.928 106.1 53.7 -60.9 -44.9 14.6 37.6 -6.9 103 103 A Q H < S+ 0 0 164 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 119.4 33.7 -57.0 -41.8 15.6 40.8 -8.6 104 104 A K H < S+ 0 0 113 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.862 136.5 14.2 -85.1 -34.7 17.6 39.0 -11.2 105 105 A Y H < 0 0 30 -4,-3.1 -58,-0.5 -5,-0.2 -3,-0.2 0.411 360.0 360.0-128.4 0.1 15.7 35.8 -11.7 106 106 A R < 0 0 194 -4,-2.4 0, 0.0 -5,-0.4 0, 0.0 -0.716 360.0 360.0 -93.9 360.0 12.2 36.0 -10.2 107 !* 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 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.1 -14.9 24.5 -3.9 109 2 B D > - 0 0 103 1,-0.1 4,-2.6 41,-0.0 5,-0.2 -0.114 360.0-122.9 -59.6 155.4 -11.9 25.6 -6.1 110 3 B L H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 118.4 50.9 -70.8 -37.9 -8.7 23.8 -6.2 111 4 B E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 110.7 49.2 -67.4 -31.7 -7.1 27.1 -5.0 112 5 B D H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.930 112.2 46.6 -72.2 -44.1 -9.6 27.3 -2.2 113 6 B N H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.902 111.7 51.9 -63.2 -39.4 -9.0 23.7 -1.1 114 7 B M H X S+ 0 0 54 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.913 108.2 50.8 -65.3 -38.3 -5.2 24.2 -1.2 115 8 B E H X S+ 0 0 86 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.887 111.1 49.1 -66.6 -36.4 -5.4 27.4 0.9 116 9 B T H X S+ 0 0 49 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.924 112.5 47.9 -65.2 -46.1 -7.5 25.5 3.5 117 10 B L H X S+ 0 0 13 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.973 115.9 44.2 -57.3 -53.9 -5.0 22.6 3.5 118 11 B N H X S+ 0 0 58 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.942 112.7 49.7 -58.6 -53.5 -2.0 25.0 3.8 119 12 B D H X S+ 0 0 82 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.891 114.2 45.6 -56.8 -41.0 -3.5 27.3 6.5 120 13 B N H X S+ 0 0 18 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.827 105.1 59.5 -75.7 -27.7 -4.5 24.3 8.6 121 14 B L H X S+ 0 0 12 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.936 107.0 50.2 -63.6 -38.0 -1.1 22.6 8.2 122 15 B K H X S+ 0 0 51 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.855 106.4 53.4 -68.5 -34.1 0.3 25.8 9.8 123 16 B V H >X S+ 0 0 62 -4,-1.3 4,-0.7 2,-0.2 3,-0.6 0.869 107.3 51.7 -66.9 -39.0 -2.1 25.7 12.7 124 17 B I H >< S+ 0 0 1 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.918 104.2 58.1 -63.9 -41.2 -1.1 22.1 13.5 125 18 B E H 3< S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.750 119.8 29.4 -58.4 -26.6 2.6 23.2 13.5 126 19 B K H << S+ 0 0 138 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.285 88.8 133.3-119.0 9.5 1.7 25.7 16.2 127 20 B A << - 0 0 11 -3,-0.9 3,-0.1 -4,-0.7 -3,-0.1 0.049 40.2-160.1 -56.0 170.5 -1.2 24.0 18.1 128 21 B D + 0 0 136 1,-0.3 2,-0.3 63,-0.0 -1,-0.1 0.423 69.7 15.8-130.1 -11.6 -1.3 23.8 21.9 129 22 B N S >> S- 0 0 66 1,-0.1 4,-1.8 62,-0.1 3,-0.8 -0.994 78.3 -99.4-162.2 160.5 -3.8 20.9 22.4 130 23 B A H 3> S+ 0 0 30 -2,-0.3 4,-3.2 1,-0.2 5,-0.4 0.916 114.7 64.0 -45.7 -56.7 -5.6 18.0 20.7 131 24 B A H 3> S+ 0 0 65 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.843 107.4 42.6 -34.8 -53.2 -8.7 20.1 20.3 132 25 B Q H <> S+ 0 0 69 -3,-0.8 4,-2.2 2,-0.2 -1,-0.3 0.909 115.8 47.0 -65.4 -46.8 -6.9 22.4 17.9 133 26 B V H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.948 112.7 49.1 -61.1 -50.0 -5.0 19.7 16.0 134 27 B K H X S+ 0 0 72 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.831 112.4 49.1 -58.9 -36.6 -8.1 17.5 15.5 135 28 B D H X S+ 0 0 86 -4,-1.6 4,-1.6 -5,-0.4 -1,-0.2 0.890 111.8 48.2 -71.5 -40.7 -10.1 20.5 14.3 136 29 B A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.942 113.5 47.1 -64.3 -47.9 -7.3 21.5 11.9 137 30 B L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.851 106.7 57.8 -63.8 -35.1 -7.0 17.9 10.5 138 31 B T H X S+ 0 0 68 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.908 108.3 46.6 -62.9 -40.8 -10.8 17.6 10.1 139 32 B K H X S+ 0 0 100 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.895 110.1 53.2 -68.2 -37.2 -10.8 20.6 7.8 140 33 B M H X S+ 0 0 3 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.902 107.4 53.4 -63.0 -39.7 -7.9 19.2 5.9 141 34 B A H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.929 110.2 44.9 -59.7 -50.0 -9.8 16.0 5.4 142 35 B A H X S+ 0 0 65 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.939 115.1 48.8 -62.0 -45.1 -12.9 17.8 4.0 143 36 B A H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.932 112.4 47.9 -60.7 -48.6 -10.6 19.9 1.7 144 37 B A H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.936 111.4 50.8 -56.9 -49.4 -8.7 16.9 0.5 145 38 B A H < S+ 0 0 51 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.899 112.4 46.1 -58.0 -40.8 -11.9 14.9 -0.2 146 39 B D H >< S+ 0 0 71 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.882 113.4 48.9 -69.6 -38.6 -13.4 17.8 -2.2 147 40 B A H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.718 89.5 86.7 -70.9 -24.1 -10.1 18.4 -4.2 148 41 B W T 3< S+ 0 0 35 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.831 93.9 40.6 -46.7 -36.8 -9.9 14.6 -4.9 149 42 B S T < S+ 0 0 101 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.352 91.0 112.6-100.8 8.4 -12.1 15.1 -8.0 150 43 B A < - 0 0 26 -3,-2.1 -41,-0.0 -4,-0.1 -3,-0.0 -0.317 60.4-134.6 -78.4 159.9 -10.7 18.3 -9.5 151 44 B T - 0 0 75 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.963 22.8-137.2-113.0 119.2 -8.8 18.7 -12.7 152 45 B P >> - 0 0 6 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.456 21.8-113.8 -74.9 149.0 -5.6 20.8 -12.4 153 46 B P G >4 S+ 0 0 99 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.879 116.1 61.4 -44.8 -42.8 -4.8 23.4 -15.1 154 47 B K G 34 S+ 0 0 132 58,-0.4 3,-0.2 1,-0.3 59,-0.1 0.692 112.0 34.9 -61.0 -22.7 -1.7 21.3 -16.0 155 48 B L G X4 S+ 0 0 8 -3,-2.5 3,-2.1 1,-0.1 -1,-0.3 0.233 79.3 117.3-117.7 13.2 -3.8 18.3 -16.9 156 49 B E T << S+ 0 0 127 -3,-1.4 -2,-0.1 -4,-0.5 -1,-0.1 0.692 80.9 45.0 -54.3 -22.0 -6.8 20.0 -18.4 157 50 B D T 3 S+ 0 0 165 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.401 92.9 98.9-105.8 4.9 -6.2 18.5 -21.8 158 51 B K S < S- 0 0 96 -3,-2.1 -3,-0.1 1,-0.1 0, 0.0 -0.514 85.7 -97.5 -86.8 156.8 -5.5 14.9 -20.6 159 52 B S > - 0 0 62 -2,-0.2 3,-2.8 1,-0.1 6,-0.4 -0.503 31.0-121.8 -69.4 142.8 -8.1 12.2 -20.7 160 53 B P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.847 118.3 50.1 -55.0 -30.6 -9.8 11.8 -17.3 161 54 B D T 3 S+ 0 0 72 4,-0.1 -2,-0.1 240,-0.1 5,-0.0 0.390 86.2 128.0 -87.3 2.3 -8.6 8.2 -17.5 162 55 B S S <> S- 0 0 11 -3,-2.8 4,-2.2 1,-0.1 5,-0.2 -0.109 74.0-116.2 -56.1 156.5 -5.1 9.3 -18.3 163 56 B P H > S+ 0 0 72 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.906 116.8 55.0 -61.8 -37.3 -2.3 7.9 -16.2 164 57 B E H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.936 109.0 44.6 -60.0 -51.6 -1.6 11.5 -15.0 165 58 B M H > S+ 0 0 6 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.863 113.5 52.2 -63.5 -34.3 -5.1 12.1 -13.8 166 59 B H H X S+ 0 0 30 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 111.8 45.0 -66.2 -44.5 -5.1 8.7 -12.2 167 60 B D H X S+ 0 0 44 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.870 110.7 55.7 -65.8 -37.0 -1.9 9.5 -10.4 168 61 B F H X S+ 0 0 8 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.936 110.8 42.9 -59.6 -49.0 -3.3 12.9 -9.4 169 62 B R H X S+ 0 0 63 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.902 110.2 58.3 -64.4 -39.8 -6.3 11.3 -7.8 170 63 B H H X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.864 98.7 59.8 -57.2 -38.6 -4.1 8.8 -6.2 171 64 B G H X S+ 0 0 13 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.908 106.8 44.7 -56.7 -47.6 -2.1 11.6 -4.5 172 65 B F H X S+ 0 0 10 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.819 108.6 57.9 -68.3 -31.3 -5.2 12.8 -2.7 173 66 B W H X S+ 0 0 35 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.950 111.3 43.0 -62.1 -45.3 -6.1 9.2 -1.8 174 67 B I H X S+ 0 0 58 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.945 114.1 50.5 -62.0 -49.7 -2.7 8.9 -0.1 175 68 B L H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.885 108.6 51.8 -55.4 -46.0 -3.0 12.4 1.5 176 69 B I H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.873 109.2 50.0 -60.8 -40.6 -6.4 11.6 2.9 177 70 B G H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.937 111.9 47.9 -64.4 -45.9 -5.2 8.4 4.5 178 71 B Q H X S+ 0 0 41 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.899 111.8 50.6 -62.4 -38.2 -2.2 10.2 6.1 179 72 B I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.960 110.6 48.2 -64.2 -50.1 -4.6 12.9 7.3 180 73 B H H X S+ 0 0 56 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.882 111.0 51.2 -56.7 -39.7 -7.0 10.4 8.9 181 74 B D H X S+ 0 0 72 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.899 111.9 46.7 -65.2 -40.2 -4.0 8.6 10.6 182 75 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.837 110.3 53.3 -69.5 -33.7 -2.8 11.9 12.0 183 76 B L H X S+ 0 0 29 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.885 106.9 52.5 -68.4 -36.7 -6.3 12.7 13.1 184 77 B H H X S+ 0 0 32 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.917 110.2 47.3 -64.0 -44.2 -6.5 9.3 14.9 185 78 B L H ><>S+ 0 0 35 -4,-1.8 5,-2.2 2,-0.2 3,-1.0 0.918 113.1 49.4 -61.5 -44.6 -3.2 10.1 16.8 186 79 B A H ><5S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.941 107.9 53.5 -60.0 -47.8 -4.6 13.5 17.6 187 80 B N H 3<5S+ 0 0 38 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.593 103.9 57.2 -64.4 -11.0 -7.8 11.9 18.9 188 81 B E T <<5S- 0 0 74 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.080 122.7-107.2-104.9 21.2 -5.7 9.7 21.1 189 82 B G T < 5S+ 0 0 50 -3,-2.0 2,-2.1 1,-0.2 3,-0.2 0.466 78.3 138.1 68.6 1.5 -4.2 12.8 22.7 190 83 B K >< + 0 0 79 -5,-2.2 4,-2.8 -6,-0.2 -1,-0.2 -0.487 17.8 159.7 -80.5 73.6 -0.9 12.2 20.9 191 84 B V H > + 0 0 34 -2,-2.1 4,-3.4 2,-0.2 5,-0.3 0.958 69.3 46.5 -60.7 -58.5 -0.3 15.8 19.9 192 85 B K H > S+ 0 0 180 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 117.9 44.6 -55.4 -40.1 3.4 15.7 19.2 193 86 B E H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.918 112.3 51.6 -69.3 -44.0 3.0 12.5 17.2 194 87 B A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.926 113.2 46.0 -57.1 -44.7 -0.0 13.9 15.4 195 88 B Q H X S+ 0 0 51 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.858 111.0 52.5 -66.8 -35.5 2.1 17.0 14.6 196 89 B A H X S+ 0 0 59 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.871 109.5 48.8 -67.8 -37.2 5.0 14.7 13.6 197 90 B A H X S+ 0 0 24 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.889 109.7 53.3 -66.8 -39.1 2.6 12.8 11.2 198 91 B A H X S+ 0 0 3 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.894 106.4 51.5 -63.2 -42.1 1.4 16.2 9.8 199 92 B E H >< S+ 0 0 80 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.878 109.6 52.9 -62.9 -36.7 5.0 17.3 9.1 200 93 B Q H >< S+ 0 0 132 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.878 100.6 57.3 -68.6 -39.9 5.5 14.0 7.3 201 94 B L H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.3 3,-1.0 0.614 84.1 83.3 -70.1 -7.2 2.5 14.3 4.9 202 95 B K H S+ 0 0 84 -3,-1.5 4,-2.8 -4,-0.3 -1,-0.3 0.831 98.2 52.2 -63.2 -32.4 6.0 15.4 1.4 204 97 B T H <> S+ 0 0 22 -3,-1.0 4,-2.2 -4,-0.3 5,-0.2 0.904 110.2 48.0 -69.3 -43.8 2.8 14.1 -0.3 205 98 B C H X S+ 0 0 29 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.980 113.8 49.8 -56.1 -53.9 1.8 17.8 -0.9 206 99 B N H X S+ 0 0 48 -4,-3.4 4,-2.4 1,-0.2 -204,-0.2 0.891 108.8 50.6 -52.2 -47.3 5.3 18.3 -2.2 207 100 B A H X S+ 0 0 44 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.897 110.5 47.1 -64.3 -41.3 5.3 15.4 -4.6 208 101 B C H X S+ 0 0 23 -4,-2.2 4,-3.2 1,-0.2 5,-0.5 0.937 111.3 52.7 -69.3 -38.6 2.0 16.2 -6.3 209 102 B H H X S+ 0 0 30 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.942 107.3 52.1 -58.7 -44.7 3.1 19.8 -6.7 210 103 B Q H < S+ 0 0 109 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.885 117.8 37.9 -59.2 -40.6 6.4 18.7 -8.4 211 104 B K H < S+ 0 0 109 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.897 136.3 9.1 -80.4 -40.3 4.5 16.6 -10.8 212 105 B Y H < 0 0 27 -4,-3.2 -58,-0.4 -5,-0.2 -3,-0.2 0.475 360.0 360.0-125.9 -1.8 1.4 18.6 -11.6 213 106 B R < 0 0 104 -4,-2.4 0, 0.0 -5,-0.5 0, 0.0 -0.689 360.0 360.0 -86.4 360.0 1.5 22.2 -10.2 214 !* 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 96 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 155.7 31.5 7.0 0.3 216 2 C D > - 0 0 82 1,-0.1 4,-2.3 41,-0.0 5,-0.2 -0.341 360.0-105.3 -78.0 164.7 33.8 7.2 3.3 217 3 C L H > S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.942 122.3 51.1 -55.1 -51.8 35.9 10.4 4.0 218 4 C E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 109.4 52.1 -54.9 -38.1 39.1 8.7 2.9 219 5 C D H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 111.5 44.5 -65.7 -46.1 37.4 7.6 -0.3 220 6 C N H X S+ 0 0 8 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.919 112.1 53.9 -65.2 -41.6 36.2 11.2 -1.1 221 7 C M H X S+ 0 0 55 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.908 108.9 47.6 -58.9 -43.5 39.7 12.5 -0.2 222 8 C E H X S+ 0 0 112 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.891 111.8 51.9 -65.5 -38.0 41.3 10.2 -2.6 223 9 C T H X S+ 0 0 32 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.941 110.0 47.4 -62.2 -46.6 38.8 11.2 -5.2 224 10 C L H X S+ 0 0 12 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.959 114.9 47.9 -57.9 -49.0 39.6 14.9 -4.6 225 11 C N H X S+ 0 0 71 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.950 111.9 47.9 -56.8 -56.2 43.3 14.1 -4.8 226 12 C D H X S+ 0 0 89 -4,-3.3 4,-1.9 1,-0.2 3,-0.3 0.940 114.3 43.4 -53.2 -56.7 43.0 12.0 -8.0 227 13 C N H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.797 107.2 62.2 -62.5 -27.8 40.9 14.5 -10.1 228 14 C L H X S+ 0 0 10 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.952 106.4 46.0 -61.9 -44.6 43.1 17.3 -8.8 229 15 C K H X S+ 0 0 88 -4,-1.9 4,-1.1 -3,-0.3 -2,-0.2 0.872 108.4 55.6 -64.2 -39.9 46.0 15.6 -10.6 230 16 C V H >X S+ 0 0 49 -4,-1.9 4,-3.0 1,-0.2 3,-0.9 0.958 107.4 50.7 -58.1 -47.9 43.9 15.1 -13.7 231 17 C I H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.916 103.7 56.9 -54.7 -50.6 43.2 18.8 -13.8 232 18 C E H 3< S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.775 120.4 30.6 -55.3 -27.2 46.8 19.8 -13.5 233 19 C K H << S+ 0 0 180 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.713 88.6 113.3-105.2 -27.9 47.7 17.8 -16.6 234 20 C A < - 0 0 6 -4,-3.0 3,-0.1 -5,-0.2 68,-0.0 -0.060 43.6-167.8 -44.6 147.8 44.5 17.9 -18.7 235 21 C D + 0 0 133 1,-0.1 2,-0.3 64,-0.0 -1,-0.1 0.268 66.1 59.3-123.7 7.1 45.0 19.8 -21.9 236 22 C N S > S- 0 0 59 1,-0.1 4,-1.1 62,-0.1 3,-0.4 -0.987 77.8-127.1-138.7 146.3 41.4 20.1 -22.9 237 23 C A H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.832 105.2 65.4 -59.1 -36.3 38.3 21.7 -21.2 238 24 C A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 103.4 45.1 -53.9 -48.4 36.3 18.5 -21.6 239 25 C Q H > S+ 0 0 87 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.769 112.8 50.4 -69.7 -27.3 38.6 16.6 -19.2 240 26 C V H X S+ 0 0 0 -4,-1.1 4,-2.9 -3,-0.2 5,-0.2 0.924 108.5 51.8 -76.7 -43.1 38.7 19.4 -16.6 241 27 C K H X S+ 0 0 71 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.892 109.8 51.1 -56.9 -42.9 34.9 19.8 -16.5 242 28 C D H X S+ 0 0 104 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.921 112.6 44.1 -63.1 -46.5 34.6 16.0 -15.9 243 29 C A H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.934 113.4 49.9 -66.2 -47.0 37.1 16.0 -13.0 244 30 C L H X S+ 0 0 1 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.929 109.6 50.8 -58.1 -47.4 35.7 19.2 -11.3 245 31 C T H X S+ 0 0 67 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.953 113.2 47.6 -54.4 -47.7 32.1 17.8 -11.5 246 32 C K H 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-3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.524 92.1 115.6 -91.6 -6.2 28.7 15.8 6.4 257 43 C A < - 0 0 23 -3,-1.6 -3,-0.0 -4,-0.3 -41,-0.0 -0.223 62.1-132.2 -66.1 149.6 31.4 13.3 7.5 258 44 C T - 0 0 84 17,-0.0 -41,-0.1 5,-0.0 5,-0.1 -0.918 25.4-133.8-104.8 117.9 32.8 13.3 11.1 259 45 C P >> - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.414 14.5-119.6 -72.7 145.2 36.6 13.3 11.1 260 46 C P G >4 S+ 0 0 78 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.918 113.6 51.7 -43.9 -60.4 38.6 10.8 13.3 261 47 C K G 34 S+ 0 0 129 58,-0.4 3,-0.2 1,-0.3 59,-0.1 0.628 116.3 41.6 -56.0 -17.3 40.3 13.6 15.3 262 48 C L G X4 S+ 0 0 7 -3,-1.8 3,-2.5 57,-0.1 -1,-0.3 0.356 77.2 108.9-115.2 6.2 36.9 15.2 16.0 263 49 C E T << S+ 0 0 136 -3,-2.0 -2,-0.1 -4,-0.6 -1,-0.1 0.733 79.0 55.7 -53.0 -26.2 34.9 12.1 16.7 264 50 C D T 3 S+ 0 0 116 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.240 93.1 96.0 -93.1 11.8 34.8 13.2 20.4 265 51 C K S < S- 0 0 59 -3,-2.5 -3,-0.1 1,-0.1 0, 0.0 -0.636 86.0 -94.0-102.5 160.9 33.3 16.6 19.6 266 52 C S > - 0 0 61 -2,-0.2 3,-3.2 1,-0.2 6,-0.4 -0.495 32.5-126.2 -67.6 135.4 29.7 17.9 19.7 267 53 C P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.792 117.1 44.1 -55.2 -20.7 28.2 17.6 16.2 268 54 C D T 3 S+ 0 0 64 4,-0.1 -2,-0.1 -188,-0.1 -188,-0.0 0.087 90.4 130.0-109.3 22.5 27.4 21.3 16.7 269 55 C S S <> S- 0 0 10 -3,-3.2 4,-2.5 1,-0.1 5,-0.2 -0.268 73.7-109.9 -74.1 160.7 30.8 22.2 18.2 270 56 C P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.879 119.6 55.3 -57.7 -35.6 33.0 25.1 17.0 271 57 C E H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.942 110.1 42.0 -62.7 -51.2 35.4 22.5 15.5 272 58 C M H > S+ 0 0 7 -6,-0.4 4,-3.5 2,-0.2 5,-0.3 0.863 112.0 55.1 -66.4 -37.9 32.8 20.7 13.4 273 59 C H H X S+ 0 0 34 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.940 112.7 43.3 -59.0 -44.7 31.2 24.0 12.3 274 60 C D H X S+ 0 0 49 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.856 113.0 54.2 -68.5 -33.1 34.6 25.1 11.1 275 61 C F H X S+ 0 0 8 -4,-2.1 4,-1.2 2,-0.2 3,-0.4 0.967 112.2 41.1 -64.1 -55.4 35.1 21.6 9.6 276 62 C R H X S+ 0 0 65 -4,-3.5 4,-2.2 1,-0.2 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50.5 -62.8 -46.7 35.2 23.9 -7.3 287 73 C H H X S+ 0 0 55 -4,-3.3 4,-1.6 -5,-0.2 -2,-0.2 0.915 110.7 49.7 -57.9 -40.0 31.9 25.2 -8.6 288 74 C D H X S+ 0 0 70 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.889 112.5 46.6 -66.9 -38.9 33.7 28.4 -9.6 289 75 C A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 107.5 56.4 -68.9 -42.2 36.4 26.5 -11.4 290 76 C L H X S+ 0 0 28 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.869 105.2 54.1 -57.9 -36.6 33.8 24.2 -13.2 291 77 C H H X S+ 0 0 26 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.919 106.8 49.5 -63.2 -46.2 32.2 27.4 -14.6 292 78 C L H ><>S+ 0 0 36 -4,-1.4 5,-2.5 1,-0.2 3,-0.6 0.942 111.3 49.9 -58.5 -46.0 35.5 28.6 -16.0 293 79 C A H ><5S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.858 106.8 55.5 -61.2 -36.4 36.0 25.1 -17.6 294 80 C N H 3<5S+ 0 0 40 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.763 104.0 53.0 -66.7 -28.1 32.5 25.3 -19.1 295 81 C E T <<5S- 0 0 94 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.379 124.7-112.3 -85.9 5.5 33.4 28.5 -20.8 296 82 C G T < 5S+ 0 0 44 -3,-1.4 2,-1.2 -5,-0.2 -3,-0.2 0.710 71.7 141.9 73.3 22.7 36.3 26.6 -22.1 297 83 C K >< + 0 0 84 -5,-2.5 4,-3.3 1,-0.2 5,-0.3 -0.582 15.5 166.3 -95.9 72.1 39.0 28.4 -20.1 298 84 C V H > S+ 0 0 40 -2,-1.2 4,-3.2 2,-0.2 -1,-0.2 0.901 73.8 49.9 -54.3 -47.3 41.3 25.5 -19.3 299 85 C K H > S+ 0 0 171 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.974 115.3 42.4 -58.0 -55.0 44.2 27.7 -18.2 300 86 C E H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.934 114.9 51.7 -57.2 -46.1 42.0 29.9 -15.8 301 87 C A H X S+ 0 0 1 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.939 111.0 48.3 -55.1 -47.6 40.3 26.7 -14.6 302 88 C Q H X S+ 0 0 48 -4,-3.2 4,-1.0 -5,-0.3 -1,-0.2 0.874 109.6 51.8 -63.0 -35.6 43.6 25.2 -13.9 303 89 C A H >X S+ 0 0 61 -4,-2.5 4,-1.4 1,-0.2 3,-0.5 0.901 106.1 55.3 -66.9 -39.7 44.8 28.3 -12.1 304 90 C A H 3X S+ 0 0 32 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.915 102.8 56.1 -59.6 -43.7 41.7 28.2 -9.9 305 91 C A H 3X S+ 0 0 3 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.814 101.2 58.3 -59.5 -31.7 42.5 24.7 -8.8 306 92 C E H << S+ 0 0 104 -4,-1.0 3,-0.4 -3,-0.5 4,-0.4 0.933 109.5 41.9 -64.9 -47.8 45.9 25.7 -7.6 307 93 C Q H >< S+ 0 0 133 -4,-1.4 3,-1.5 1,-0.2 4,-0.4 0.840 106.5 64.2 -67.4 -33.1 44.6 28.2 -5.1 308 94 C L H >X S+ 0 0 3 -4,-1.9 3,-1.9 1,-0.3 4,-1.4 0.847 87.6 71.3 -56.3 -36.9 41.8 25.8 -4.1 309 95 C K H 3X S+ 0 0 55 -4,-1.2 4,-3.0 -3,-0.4 -1,-0.3 0.806 87.4 65.3 -50.7 -31.6 44.6 23.5 -2.8 310 96 C a H <> S+ 0 0 75 -3,-1.5 4,-2.1 -4,-0.4 -1,-0.3 0.826 98.0 51.8 -64.6 -31.6 45.0 26.0 0.0 311 97 C T H <> S+ 0 0 24 -3,-1.9 4,-2.2 -4,-0.4 5,-0.3 0.945 109.7 49.7 -68.9 -46.5 41.6 25.2 1.3 312 98 C C H X S+ 0 0 28 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.967 115.0 44.9 -51.0 -56.9 42.5 21.5 1.3 313 99 C N H X S+ 0 0 98 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.780 108.2 55.6 -58.8 -36.0 45.7 22.3 3.2 314 100 C A H X S+ 0 0 58 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.921 111.1 44.5 -68.4 -42.2 44.0 24.6 5.7 315 101 C C H X S+ 0 0 28 -4,-2.2 4,-3.1 1,-0.2 3,-0.4 0.946 112.6 52.2 -67.0 -44.0 41.6 22.0 6.8 316 102 C H H X S+ 0 0 68 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.905 104.7 55.1 -57.7 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-4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.961 115.4 51.6 -64.7 -48.1 -23.5 -1.5 -0.2 328 7 D M H X S+ 0 0 56 -4,-4.4 4,-2.8 1,-0.2 -2,-0.2 0.900 108.8 51.2 -53.6 -43.0 -22.2 -5.0 0.9 329 8 D E H X S+ 0 0 113 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.919 111.2 48.0 -60.2 -44.6 -24.7 -6.6 -1.4 330 9 D T H X S+ 0 0 46 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.920 112.2 48.1 -62.8 -46.6 -23.5 -4.3 -4.3 331 10 D L H X S+ 0 0 12 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.964 113.0 48.8 -57.5 -52.9 -19.9 -5.0 -3.7 332 11 D N H < S+ 0 0 85 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.762 114.9 44.6 -60.2 -31.0 -20.5 -8.8 -3.5 333 12 D D H >X S+ 0 0 79 -4,-1.8 3,-2.4 2,-0.2 4,-1.5 0.969 109.9 49.0 -78.0 -60.9 -22.5 -8.8 -6.7 334 13 D N H 3X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.704 104.7 64.6 -53.4 -19.5 -20.5 -6.7 -9.1 335 14 D L H 3X S+ 0 0 14 -4,-1.1 4,-1.5 -5,-0.3 -1,-0.3 0.855 99.9 50.6 -72.3 -33.6 -17.6 -8.8 -7.9 336 15 D K H <> S+ 0 0 101 -3,-2.4 4,-1.2 -4,-0.5 -2,-0.2 0.933 108.2 54.6 -66.7 -45.7 -19.3 -11.8 -9.6 337 16 D V H >X S+ 0 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0, 0.0 4,-0.2 0.861 116.6 51.0 -38.8 -55.0 -23.1 -3.7 14.4 368 47 D K G 34 S+ 0 0 124 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.681 116.2 42.6 -62.8 -16.7 -20.2 -4.9 16.6 369 48 D L G X4 S+ 0 0 7 -3,-2.4 3,-2.5 1,-0.1 -1,-0.3 0.454 78.4 106.9-108.7 -1.3 -18.9 -1.3 16.8 370 49 D E T << S+ 0 0 142 -3,-1.3 -1,-0.1 -4,-1.0 -2,-0.1 0.660 83.0 50.2 -50.1 -21.2 -22.2 0.5 17.4 371 50 D D T 3 S+ 0 0 123 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.574 96.3 92.5 -95.0 -13.3 -21.2 1.1 21.0 372 51 D K S < S- 0 0 84 -3,-2.5 -3,-0.1 1,-0.1 0, 0.0 -0.298 83.7 -98.0 -81.9 165.4 -17.8 2.5 20.2 373 52 D S > - 0 0 60 1,-0.1 3,-1.9 -2,-0.1 6,-0.4 -0.520 24.9-127.5 -78.4 146.2 -16.7 6.0 19.7 374 53 D P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.778 116.1 50.6 -65.2 -21.9 -16.4 7.2 16.1 375 54 D D T 3 S+ 0 0 68 4,-0.1 -2,-0.0 -188,-0.1 -3,-0.0 0.202 90.2 121.0 -97.9 13.0 -12.8 8.3 17.2 376 55 D S S <> S- 0 0 12 -3,-1.9 4,-2.0 1,-0.1 3,-0.2 -0.406 76.6-113.9 -79.2 154.1 -12.1 4.9 18.6 377 56 D P H > S+ 0 0 64 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.890 116.0 52.3 -51.8 -43.1 -9.2 2.6 17.5 378 57 D E H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.898 109.5 46.1 -63.5 -43.6 -11.7 0.0 16.2 379 58 D M H > S+ 0 0 7 -6,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.810 112.2 53.6 -70.2 -27.7 -13.7 2.5 14.1 380 59 D H H X S+ 0 0 33 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.968 111.4 43.4 -67.1 -55.0 -10.4 3.9 12.7 381 60 D D H X S+ 0 0 53 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.891 111.5 56.5 -56.7 -41.1 -9.2 0.5 11.7 382 61 D F H X S+ 0 0 7 -4,-2.3 4,-1.2 1,-0.2 3,-0.4 0.957 110.2 43.2 -57.2 -53.1 -12.7 -0.2 10.3 383 62 D R H X S+ 0 0 60 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.875 106.3 62.8 -60.8 -38.2 -12.5 2.9 8.0 384 63 D H H X S+ 0 0 70 -4,-2.7 4,-3.0 1,-0.3 -1,-0.2 0.908 99.3 55.8 -52.7 -42.8 -8.9 2.0 7.1 385 64 D G H X S+ 0 0 23 -4,-2.0 4,-2.7 -3,-0.4 -1,-0.3 0.902 109.3 45.7 -57.4 -43.4 -10.3 -1.2 5.6 386 65 D F H X S+ 0 0 9 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.884 109.4 53.9 -68.0 -38.2 -12.5 0.9 3.4 387 66 D W H X S+ 0 0 37 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.935 111.5 46.8 -62.7 -41.4 -9.7 3.2 2.5 388 67 D I H X S+ 0 0 45 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.964 112.2 50.1 -61.8 -50.1 -7.7 0.2 1.4 389 68 D L H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.909 108.5 52.1 -55.4 -45.8 -10.7 -1.2 -0.6 390 69 D I H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.923 108.7 50.3 -57.9 -46.3 -11.3 2.0 -2.4 391 70 D G H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.905 111.6 48.2 -59.3 -42.9 -7.7 2.3 -3.5 392 71 D Q H X S+ 0 0 55 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.837 112.1 48.6 -67.7 -35.0 -7.7 -1.3 -4.9 393 72 D I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.942 111.3 50.3 -70.8 -44.3 -11.0 -0.7 -6.7 394 73 D H H X S+ 0 0 54 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.872 111.2 49.3 -59.4 -38.2 -9.6 2.5 -8.2 395 74 D D H X S+ 0 0 66 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.889 112.6 46.2 -70.0 -39.5 -6.5 0.7 -9.3 396 75 D A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.896 111.6 52.6 -66.5 -42.5 -8.4 -2.1 -10.9 397 76 D L H X S+ 0 0 22 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.821 106.7 52.8 -63.2 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