==== 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 3QVZ . 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) . 20386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 84.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 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 . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 66.3 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 3 3 0 0 0 0 0 6 2 0 0 0 1 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 81 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 168.8 -7.8 -1.2 -10.6 2 2 A D > - 0 0 92 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.240 360.0-104.6 -71.4 165.0 -5.4 0.6 -13.1 3 3 A L H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.911 119.7 46.8 -60.6 -52.1 -6.0 4.3 -14.2 4 4 A E H > S+ 0 0 158 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.857 112.2 54.6 -57.9 -37.1 -7.3 3.6 -17.8 5 5 A D H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.940 108.3 46.9 -57.1 -52.6 -9.6 0.9 -16.1 6 6 A N H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 108.9 55.0 -61.2 -41.1 -11.1 3.4 -13.7 7 7 A M H X S+ 0 0 53 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.873 107.0 50.6 -59.0 -41.7 -11.6 5.9 -16.5 8 8 A E H X S+ 0 0 99 -4,-1.8 4,-3.9 2,-0.2 5,-0.3 0.903 109.0 51.9 -59.2 -46.8 -13.6 3.3 -18.4 9 9 A T H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.901 111.8 47.8 -58.8 -42.4 -15.8 2.6 -15.4 10 10 A L H X S+ 0 0 16 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.952 116.3 41.4 -63.1 -46.5 -16.4 6.3 -15.1 11 11 A N H X S+ 0 0 80 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.914 114.6 50.7 -69.2 -45.3 -17.3 6.7 -18.7 12 12 A D H X S+ 0 0 77 -4,-3.9 4,-2.1 1,-0.2 -1,-0.2 0.918 113.1 46.3 -57.4 -45.5 -19.4 3.5 -19.0 13 13 A N H X S+ 0 0 15 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.842 102.4 63.2 -74.1 -29.5 -21.4 4.5 -15.9 14 14 A L H X S+ 0 0 11 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.944 108.2 45.1 -51.3 -46.1 -21.9 8.1 -17.1 15 15 A K H X S+ 0 0 84 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.949 105.6 57.2 -65.4 -48.4 -23.8 6.5 -19.9 16 16 A V H X S+ 0 0 67 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.871 111.1 46.9 -49.5 -38.0 -25.7 4.1 -17.8 17 17 A I H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.949 107.1 53.2 -72.1 -46.0 -26.9 7.2 -16.0 18 18 A E H < S+ 0 0 112 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 118.5 39.1 -58.2 -42.8 -27.8 9.3 -19.0 19 19 A K H < S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.814 89.7 124.5 -67.1 -36.7 -30.0 6.3 -20.2 20 20 A A < - 0 0 11 -4,-1.6 3,-0.1 -5,-0.3 -3,-0.1 0.166 40.7-166.8 -55.9 127.9 -31.5 5.2 -16.8 21 21 A D + 0 0 151 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.826 68.1 30.6 -73.7 -40.9 -35.2 4.9 -16.2 22 22 A N S >> S- 0 0 62 1,-0.1 3,-1.5 62,-0.1 4,-1.0 -0.895 79.2-108.9-131.8 158.6 -35.4 4.6 -12.5 23 23 A A H 3> S+ 0 0 15 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.812 108.4 64.7 -57.2 -34.1 -33.6 5.7 -9.4 24 24 A A H 3> S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.859 102.4 50.0 -59.9 -36.1 -32.2 2.4 -8.5 25 25 A Q H <> S+ 0 0 79 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.893 107.4 51.7 -66.5 -43.5 -30.1 2.3 -11.6 26 26 A V H X S+ 0 0 0 -4,-1.0 4,-2.1 1,-0.2 5,-0.2 0.898 106.5 55.5 -60.8 -42.5 -28.7 5.7 -11.1 27 27 A K H X S+ 0 0 66 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.892 107.7 50.7 -57.4 -39.6 -27.6 4.8 -7.5 28 28 A D H X S+ 0 0 64 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.902 109.0 47.7 -70.1 -42.6 -25.7 1.9 -8.8 29 29 A A H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.903 113.2 48.7 -70.5 -40.8 -23.8 3.7 -11.5 30 30 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.893 107.8 54.7 -63.2 -41.7 -22.8 6.4 -9.1 31 31 A T H X S+ 0 0 22 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.924 110.8 46.5 -58.6 -40.4 -21.7 3.9 -6.5 32 32 A K H X S+ 0 0 107 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.904 111.6 50.6 -71.5 -41.0 -19.4 2.3 -9.1 33 33 A M H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.856 107.7 53.8 -59.9 -40.2 -18.1 5.7 -10.2 34 34 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.964 109.9 46.8 -61.9 -51.3 -17.3 6.7 -6.6 35 35 A A H X S+ 0 0 41 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.916 113.0 50.5 -53.9 -46.1 -15.2 3.5 -6.1 36 36 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.929 111.3 46.9 -59.2 -45.4 -13.5 4.2 -9.4 37 37 A A H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.901 112.3 50.4 -66.6 -40.3 -12.6 7.7 -8.4 38 38 A A H >< S+ 0 0 4 -4,-2.7 3,-0.9 1,-0.2 4,-0.3 0.898 112.1 46.7 -61.6 -42.0 -11.4 6.7 -5.0 39 39 A D H >< S+ 0 0 55 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.826 105.0 61.5 -74.4 -25.8 -9.1 4.0 -6.4 40 40 A A H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.656 83.2 86.8 -72.3 -14.3 -7.8 6.5 -9.1 41 41 A W T << S+ 0 0 9 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.841 85.9 47.3 -52.4 -49.5 -6.5 8.7 -6.3 42 42 A S T < S+ 0 0 90 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.367 90.7 115.6 -77.6 1.2 -3.1 6.9 -5.9 43 43 A A < - 0 0 19 -3,-1.8 19,-0.0 -4,-0.1 -41,-0.0 -0.401 55.2-146.1 -83.1 151.5 -2.4 6.9 -9.7 44 44 A T - 0 0 68 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.982 20.7-135.5-112.3 121.7 0.4 8.6 -11.6 45 45 A P > - 0 0 5 0, 0.0 3,-3.1 0, 0.0 61,-0.0 -0.583 19.9-116.1 -81.5 140.3 -0.6 9.8 -15.1 46 46 A P G > S+ 0 0 87 0, 0.0 3,-2.8 0, 0.0 4,-0.2 0.837 112.6 62.6 -40.9 -53.2 1.8 9.2 -17.9 47 47 A K G 3 S+ 0 0 127 58,-0.5 3,-0.1 1,-0.3 59,-0.1 0.683 113.8 36.4 -49.5 -21.1 2.4 12.9 -18.6 48 48 A L G < S+ 0 0 8 -3,-3.1 -1,-0.3 57,-0.1 10,-0.0 -0.054 77.1 130.0-121.1 33.2 3.8 13.2 -15.0 49 49 A E S < S+ 0 0 151 -3,-2.8 -2,-0.1 1,-0.2 -1,-0.1 0.819 75.5 43.4 -61.3 -37.5 5.6 9.8 -14.9 50 50 A D S S+ 0 0 118 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.960 90.2 96.3 -69.1 -52.6 8.8 11.3 -13.7 51 51 A K S S- 0 0 69 1,-0.1 -3,-0.1 2,-0.1 0, 0.0 0.088 76.0-112.7 -56.2 146.1 7.7 13.8 -11.0 52 52 A S > - 0 0 75 1,-0.1 3,-1.4 2,-0.0 6,-0.3 -0.236 34.4-101.2 -69.1 166.4 7.7 13.0 -7.4 53 53 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.589 118.0 62.9 -68.5 -1.0 4.4 12.7 -5.6 54 54 A D T 3 + 0 0 81 4,-0.1 -3,-0.0 5,-0.0 -2,-0.0 0.453 67.5 118.0-111.2 -1.9 5.1 16.1 -4.3 55 55 A S S X> S- 0 0 16 -3,-1.4 4,-2.6 1,-0.1 3,-0.6 -0.303 78.5-116.6 -53.8 145.5 5.3 18.3 -7.3 56 56 A P H 3> S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.710 119.6 62.3 -61.1 -18.9 2.5 21.0 -7.3 57 57 A E H 3> S+ 0 0 72 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.847 103.7 42.3 -78.3 -40.7 1.5 19.0 -10.4 58 58 A M H <> S+ 0 0 3 -3,-0.6 4,-2.7 -6,-0.3 5,-0.3 0.941 115.5 51.2 -68.9 -47.7 0.8 15.8 -8.5 59 59 A H H X S+ 0 0 46 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.923 114.7 43.5 -50.7 -45.9 -0.9 17.9 -5.8 60 60 A D H X S+ 0 0 29 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.845 110.6 55.7 -72.8 -32.6 -3.0 19.5 -8.5 61 61 A F H >X S+ 0 0 8 -4,-1.9 3,-1.0 1,-0.2 4,-0.6 0.986 110.4 43.6 -59.8 -57.4 -3.7 16.2 -10.3 62 62 A R H >X S+ 0 0 23 -4,-2.7 4,-1.3 1,-0.2 3,-1.1 0.804 102.7 69.3 -58.4 -31.8 -5.1 14.6 -7.2 63 63 A H H 3X S+ 0 0 20 -4,-1.5 4,-1.8 -5,-0.3 3,-0.3 0.873 91.9 58.7 -54.3 -42.0 -7.1 17.8 -6.5 64 64 A G H <>S+ 0 0 4 -4,-1.6 5,-1.4 1,-0.2 3,-0.8 0.944 108.6 49.7 -62.2 -44.7 -30.1 13.3 -5.1 79 79 A A H ><5S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.895 107.3 53.5 -58.5 -43.7 -30.6 9.7 -6.3 80 80 A N H 3<5S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.704 103.7 59.7 -64.5 -19.6 -31.5 8.5 -2.8 81 81 A E T <<5S- 0 0 19 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.189 116.4-116.1 -93.6 -3.1 -34.1 11.2 -2.7 82 82 A C T < 5S+ 0 0 91 -3,-2.2 2,-0.9 1,-0.3 -3,-0.2 0.478 73.8 134.0 82.9 7.3 -35.8 9.8 -5.7 83 83 A K >< + 0 0 66 -5,-1.4 4,-0.8 1,-0.2 -1,-0.3 -0.852 25.9 171.8 -89.9 95.0 -35.1 12.7 -7.8 84 84 A V H > S+ 0 0 34 -2,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.920 71.5 46.3 -75.1 -53.0 -34.0 10.9 -10.9 85 85 A K H > S+ 0 0 177 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.897 110.4 52.2 -64.6 -42.9 -33.7 13.8 -13.3 86 86 A E H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 110.9 49.7 -60.2 -37.3 -31.9 16.1 -10.9 87 87 A A H X S+ 0 0 0 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.906 107.9 53.3 -69.3 -36.6 -29.4 13.3 -10.4 88 88 A Q H X S+ 0 0 40 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.853 109.9 47.8 -62.6 -38.5 -29.0 12.8 -14.1 89 89 A A H X S+ 0 0 38 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.872 107.3 54.6 -73.1 -39.6 -28.2 16.4 -14.5 90 90 A A H X S+ 0 0 17 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.920 108.6 52.1 -57.4 -39.7 -25.7 16.4 -11.6 91 91 A A H >< S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.948 109.0 48.4 -63.9 -45.5 -24.0 13.6 -13.6 92 92 A E H >< S+ 0 0 90 -4,-1.9 3,-1.5 1,-0.3 4,-0.3 0.893 105.4 57.6 -61.6 -39.3 -23.9 15.6 -16.8 93 93 A Q H >< S+ 0 0 52 -4,-2.5 3,-0.5 1,-0.3 4,-0.3 0.604 90.5 74.0 -68.1 -14.8 -22.4 18.5 -15.1 94 94 A L T XX S+ 0 0 2 -3,-1.4 3,-1.7 -4,-0.6 4,-1.7 0.755 77.3 78.0 -61.2 -26.3 -19.5 16.3 -13.9 95 95 A K H <> S+ 0 0 56 -3,-1.5 4,-3.0 -4,-0.5 5,-0.3 0.861 80.8 66.1 -58.7 -36.3 -18.2 16.4 -17.4 96 96 A T H <> S+ 0 0 37 -3,-0.5 4,-1.6 -4,-0.3 -1,-0.3 0.886 105.2 44.1 -48.0 -41.8 -16.9 19.8 -16.7 97 97 A T H <> S+ 0 0 9 -3,-1.7 4,-1.9 -4,-0.3 -2,-0.2 0.862 112.5 51.3 -72.9 -40.2 -14.5 18.2 -14.1 98 98 A C H X S+ 0 0 31 -4,-1.7 4,-2.6 1,-0.2 3,-0.3 0.977 114.1 44.2 -56.9 -55.3 -13.6 15.3 -16.5 99 99 A N H X S+ 0 0 81 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.831 108.9 57.6 -60.3 -37.2 -12.8 17.7 -19.2 100 100 A A H X S+ 0 0 14 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.2 0.924 111.7 40.9 -64.5 -41.4 -10.9 20.0 -17.0 101 101 A C H >X S+ 0 0 27 -4,-1.9 4,-3.0 -3,-0.3 3,-0.9 0.928 112.9 53.9 -75.5 -40.9 -8.5 17.3 -15.9 102 102 A H H 3X S+ 0 0 43 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.868 104.7 54.9 -58.6 -39.3 -8.1 15.8 -19.3 103 103 A Q H 3< S+ 0 0 161 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.723 118.6 34.5 -68.3 -22.3 -7.1 19.2 -20.9 104 104 A K H << S+ 0 0 80 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.838 135.1 14.8 -95.8 -42.7 -4.3 19.6 -18.4 105 105 A Y H < 0 0 22 -4,-3.0 -58,-0.5 -5,-0.1 -3,-0.2 0.517 360.0 360.0-120.2 -12.7 -3.1 16.1 -17.8 106 106 A R < 0 0 210 -4,-1.7 -4,-0.0 -5,-0.5 0, 0.0 -0.493 360.0 360.0 -75.2 360.0 -4.3 13.5 -20.4 107 !* 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 81 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 171.1 -29.4 43.0 -1.8 109 2 B D > - 0 0 91 1,-0.1 4,-2.3 41,-0.0 5,-0.2 -0.234 360.0-105.5 -71.0 164.3 -32.1 41.9 -4.3 110 3 B L H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.907 119.0 45.8 -61.1 -46.6 -31.8 38.8 -6.5 111 4 B E H > S+ 0 0 158 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 112.8 55.5 -61.4 -38.4 -31.2 40.4 -9.9 112 5 B D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.942 108.6 45.7 -54.5 -52.7 -28.7 42.6 -8.0 113 6 B N H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.882 108.4 56.0 -63.4 -41.6 -26.8 39.6 -6.7 114 7 B M H X S+ 0 0 53 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.876 106.5 51.4 -56.7 -39.6 -26.9 38.0 -10.1 115 8 B E H X S+ 0 0 106 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.925 109.0 50.0 -61.5 -48.5 -25.1 41.1 -11.6 116 9 B T H X S+ 0 0 48 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.891 112.3 49.0 -57.2 -41.6 -22.4 40.9 -8.9 117 10 B L H X S+ 0 0 11 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.951 116.8 40.4 -62.4 -53.0 -22.0 37.3 -9.8 118 11 B N H X S+ 0 0 80 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.874 114.4 51.5 -66.5 -40.3 -21.7 37.9 -13.4 119 12 B D H X S+ 0 0 79 -4,-3.8 4,-1.9 1,-0.2 -3,-0.2 0.918 112.2 47.3 -59.3 -46.5 -19.6 41.1 -13.2 120 13 B N H X S+ 0 0 15 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.827 102.3 61.7 -75.3 -24.9 -17.0 39.4 -11.0 121 14 B L H X S+ 0 0 17 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.946 107.8 45.6 -62.4 -43.5 -16.8 36.4 -13.2 122 15 B K H X S+ 0 0 102 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.886 107.7 57.0 -62.3 -43.0 -15.5 38.7 -15.9 123 16 B V H X S+ 0 0 57 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.889 111.2 45.0 -56.1 -36.1 -13.2 40.5 -13.5 124 17 B I H >< S+ 0 0 2 -4,-2.1 3,-1.0 2,-0.2 -2,-0.2 0.941 105.7 59.6 -75.1 -37.6 -11.7 37.1 -12.8 125 18 B E H 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.833 118.2 30.3 -58.1 -40.1 -11.6 36.1 -16.4 126 19 B K H 3< S+ 0 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-4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.859 113.3 49.4 -71.5 -39.6 -14.0 39.1 -7.0 137 30 B L H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 107.9 53.5 -64.0 -45.4 -14.6 35.7 -5.4 138 31 B T H X S+ 0 0 25 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.906 111.9 45.7 -54.7 -41.8 -15.1 37.3 -2.0 139 32 B K H X S+ 0 0 108 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.885 112.3 50.5 -72.4 -39.1 -17.7 39.5 -3.6 140 33 B M H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.791 108.3 54.1 -61.8 -36.4 -19.2 36.6 -5.4 141 34 B A H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.971 109.2 46.3 -62.7 -55.9 -19.4 34.7 -2.1 142 35 B A H X S+ 0 0 47 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.917 112.1 52.9 -52.7 -46.3 -21.3 37.4 -0.3 143 36 B A H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.933 109.9 46.2 -61.1 -45.8 -23.6 37.7 -3.3 144 37 B A H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.883 111.7 52.6 -63.0 -37.6 -24.4 34.0 -3.3 145 38 B A H >< S+ 0 0 5 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.933 112.0 44.3 -64.6 -46.9 -25.0 34.0 0.5 146 39 B D H >< S+ 0 0 51 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.905 105.1 64.2 -62.8 -36.4 -27.4 36.9 0.3 147 40 B A G >< S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 -1,-0.2 0.664 82.9 85.5 -63.4 -9.1 -29.1 35.3 -2.6 148 41 B W G < S+ 0 0 8 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.881 85.2 47.9 -61.6 -44.7 -30.1 32.4 -0.4 149 42 B S G < S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.455 90.6 116.5 -78.7 -0.7 -33.3 33.8 1.0 150 43 B A < - 0 0 21 -3,-1.6 -41,-0.0 -4,-0.2 19,-0.0 -0.372 54.8-145.3 -81.5 148.9 -34.6 34.9 -2.4 151 44 B T - 0 0 67 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.953 19.8-136.7-108.6 119.4 -37.8 33.7 -4.2 152 45 B P > - 0 0 5 0, 0.0 3,-3.0 0, 0.0 61,-0.0 -0.534 20.2-116.9 -78.0 138.9 -37.5 33.6 -7.9 153 46 B P G > S+ 0 0 90 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.819 112.1 63.1 -39.7 -49.8 -40.4 34.9 -10.0 154 47 B K G 3 S+ 0 0 125 58,-0.5 3,-0.1 1,-0.3 59,-0.1 0.698 113.0 36.8 -54.7 -20.6 -41.1 31.5 -11.6 155 48 B L G < S+ 0 0 6 -3,-3.0 -1,-0.3 1,-0.1 9,-0.0 -0.053 74.7 125.9-119.7 31.8 -41.9 30.2 -8.1 156 49 B E S < S+ 0 0 152 -3,-2.6 -2,-0.1 1,-0.2 -1,-0.1 0.897 78.0 49.1 -60.6 -37.5 -43.6 33.3 -6.6 157 50 B D S S+ 0 0 123 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.985 89.1 86.4 -67.8 -48.1 -46.5 31.1 -5.7 158 51 B K S S- 0 0 77 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.094 79.9-114.2 -66.5 146.7 -45.0 28.1 -4.0 159 52 B S > - 0 0 71 1,-0.1 3,-1.3 2,-0.0 2,-1.2 -0.194 38.9 -92.9 -64.9 165.1 -44.4 28.2 -0.3 160 53 B P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.093 122.6 55.7 -73.0 31.7 -40.7 28.2 1.1 161 54 B D T 3 + 0 0 81 -2,-1.2 5,-0.1 4,-0.0 -3,-0.0 0.435 68.9 117.6-133.5 -15.4 -41.2 24.3 1.4 162 55 B S S X> S- 0 0 18 -3,-1.3 4,-2.0 1,-0.2 3,-2.0 -0.317 80.3-110.3 -62.0 142.0 -42.2 23.0 -2.0 163 56 B P H 3> S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.644 121.2 62.4 -44.6 -15.9 -39.5 20.5 -3.4 164 57 B E H 3> S+ 0 0 68 2,-0.2 4,-1.3 3,-0.2 5,-0.1 0.801 102.5 43.9 -89.3 -39.2 -38.9 23.4 -5.8 165 58 B M H <> S+ 0 0 4 -3,-2.0 4,-2.4 -6,-0.3 5,-0.2 0.912 113.9 51.1 -66.6 -46.2 -37.8 25.9 -3.2 166 59 B H H X S+ 0 0 45 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.943 115.2 44.3 -54.9 -48.4 -35.7 23.2 -1.6 167 60 B D H X S+ 0 0 22 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.792 108.6 56.7 -66.9 -35.0 -34.2 22.5 -5.0 168 61 B F H >X S+ 0 0 7 -4,-1.3 3,-0.9 1,-0.2 4,-0.6 0.987 110.6 43.4 -57.4 -54.0 -33.8 26.1 -5.8 169 62 B R H 3X S+ 0 0 21 -4,-2.4 4,-1.0 1,-0.3 3,-0.4 0.701 101.7 69.7 -68.3 -20.5 -31.7 26.7 -2.8 170 63 B H H 3X S+ 0 0 15 -4,-1.1 4,-1.9 1,-0.2 3,-0.4 0.896 91.2 59.7 -60.5 -38.9 -29.7 23.6 -3.4 171 64 B G H <>S+ 0 0 10 -4,-1.6 5,-1.6 1,-0.2 3,-1.1 0.934 106.3 52.0 -63.3 -45.7 -6.8 28.2 -4.9 186 79 B A H ><5S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.899 105.6 55.8 -56.9 -39.9 -6.3 32.0 -5.1 187 80 B N H 3<5S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.739 100.3 58.3 -65.6 -19.4 -4.7 32.0 -1.7 188 81 B E T <<5S- 0 0 24 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.235 117.7-111.9 -95.3 11.7 -2.1 29.5 -2.8 189 82 B C T < 5S+ 0 0 97 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.669 77.0 134.3 64.1 22.9 -1.0 31.9 -5.5 190 83 B K >< + 0 0 51 -5,-1.6 4,-1.5 1,-0.2 -1,-0.2 -0.660 23.8 167.6 -97.1 78.6 -2.3 29.6 -8.2 191 84 B V H > + 0 0 30 -2,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.775 69.6 48.7 -64.4 -41.0 -4.1 32.1 -10.3 192 85 B K H > S+ 0 0 169 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 109.6 53.7 -69.7 -39.5 -4.8 30.2 -13.4 193 86 B E H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.860 108.7 50.9 -59.6 -40.2 -6.2 27.3 -11.4 194 87 B A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.901 107.7 50.7 -68.6 -41.5 -8.5 29.7 -9.7 195 88 B Q H X S+ 0 0 39 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.807 109.4 51.5 -64.4 -31.6 -9.8 31.2 -12.9 196 89 B A H X S+ 0 0 29 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.861 107.6 51.5 -73.7 -36.3 -10.5 27.8 -14.3 197 90 B A H X S+ 0 0 16 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.901 110.6 52.0 -59.7 -38.5 -12.4 26.9 -11.2 198 91 B A H >< S+ 0 0 4 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.956 109.1 47.9 -64.3 -46.3 -14.2 30.2 -11.9 199 92 B E H >< S+ 0 0 99 -4,-2.3 3,-1.0 1,-0.3 4,-0.3 0.853 105.7 58.4 -62.5 -36.3 -15.0 29.2 -15.4 200 93 B Q H >< S+ 0 0 47 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.631 91.3 71.8 -65.0 -16.3 -16.2 25.8 -14.3 201 94 B L T XX S+ 0 0 1 -3,-1.3 4,-1.3 -4,-0.7 3,-1.0 0.668 79.6 75.8 -65.0 -32.4 -18.9 27.5 -12.0 202 95 B K H <> S+ 0 0 69 -3,-1.0 4,-2.7 -4,-0.4 5,-0.4 0.875 80.8 67.0 -61.0 -40.3 -20.9 28.5 -15.0 203 96 B T H <> S+ 0 0 34 -3,-0.5 4,-1.1 -4,-0.3 -1,-0.3 0.869 106.6 43.8 -44.7 -36.1 -22.0 24.9 -15.3 204 97 B T H <> S+ 0 0 10 -3,-1.0 4,-2.0 -4,-0.4 -1,-0.3 0.873 112.4 51.2 -74.6 -44.7 -23.8 25.6 -12.0 205 98 B C H X S+ 0 0 26 -4,-1.3 4,-2.5 1,-0.2 3,-0.4 0.980 113.7 44.3 -56.6 -57.3 -25.1 29.1 -13.1 206 99 B N H X S+ 0 0 89 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.796 109.0 58.1 -56.6 -35.4 -26.5 27.6 -16.3 207 100 B A H < S+ 0 0 23 -4,-1.1 4,-0.3 -5,-0.4 -1,-0.2 0.914 111.3 40.3 -66.9 -40.8 -28.0 24.6 -14.5 208 101 B C H >X S+ 0 0 25 -4,-2.0 4,-2.9 -3,-0.4 3,-1.8 0.953 112.0 57.0 -72.6 -45.5 -30.1 26.8 -12.2 209 102 B H H 3X S+ 0 0 51 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.853 104.2 51.8 -55.3 -38.2 -31.0 29.2 -15.0 210 103 B Q H 3< S+ 0 0 157 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.494 117.6 37.4 -87.5 1.2 -32.5 26.6 -17.2 211 104 B K H <4 S+ 0 0 85 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.712 134.1 16.1-101.2 -39.2 -34.7 25.3 -14.5 212 105 B Y H < 0 0 21 -4,-2.9 -58,-0.5 -5,-0.1 -3,-0.2 0.636 360.0 360.0-121.8 -21.4 -35.7 28.4 -12.7 213 106 B R < 0 0 219 -4,-1.4 0, 0.0 -5,-0.5 0, 0.0 -0.582 360.0 360.0 -76.1 360.0 -35.1 31.6 -14.7 214 !* 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 82 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.3 -31.2 39.4 10.7 216 2 C D > - 0 0 97 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.205 360.0-104.7 -71.8 165.7 -28.5 40.5 13.1 217 3 C L H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 119.5 46.8 -60.0 -54.2 -25.6 38.2 14.3 218 4 C E H > S+ 0 0 164 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.835 112.6 54.2 -56.4 -34.4 -26.8 37.4 17.8 219 5 C D H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 108.3 47.0 -61.3 -51.3 -30.3 36.7 16.2 220 6 C N H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.870 109.5 54.5 -61.6 -38.8 -28.8 34.2 13.7 221 7 C M H X S+ 0 0 54 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.888 107.2 50.4 -60.8 -41.9 -26.9 32.5 16.5 222 8 C E H X S+ 0 0 104 -4,-1.6 4,-3.6 2,-0.2 5,-0.3 0.892 109.5 51.2 -62.6 -43.1 -30.2 32.0 18.5 223 9 C T H X S+ 0 0 49 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.911 111.1 48.5 -60.6 -46.7 -31.8 30.6 15.4 224 10 C L H X S+ 0 0 18 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.945 116.9 42.3 -54.8 -49.1 -28.9 28.2 15.1 225 11 C N H X S+ 0 0 79 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.907 113.6 50.0 -69.3 -44.6 -29.1 27.3 18.8 226 12 C D H X S+ 0 0 73 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.916 113.1 46.8 -59.3 -43.4 -32.9 27.0 19.0 227 13 C N H X S+ 0 0 16 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.849 102.0 63.0 -75.7 -30.5 -33.1 24.7 16.0 228 14 C L H X S+ 0 0 14 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.964 108.4 45.3 -50.2 -50.4 -30.2 22.5 17.1 229 15 C K H X S+ 0 0 89 -4,-1.5 4,-1.9 1,-0.2 5,-0.2 0.955 106.0 56.2 -62.5 -47.9 -32.5 21.6 20.0 230 16 C V H X S+ 0 0 70 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.872 112.0 47.2 -47.9 -37.8 -35.6 21.1 17.9 231 17 C I H >< S+ 0 0 0 -4,-2.2 3,-0.9 -3,-0.2 -2,-0.2 0.943 105.1 57.2 -72.9 -48.1 -33.4 18.6 16.0 232 18 C E H 3< S+ 0 0 106 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 119.4 31.9 -43.3 -44.1 -32.1 16.9 19.2 233 19 C K H 3< S+ 0 0 141 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.461 90.1 124.8-101.9 -5.1 -35.7 16.1 20.3 234 20 C A << - 0 0 13 -3,-0.9 3,-0.1 -4,-0.7 -3,-0.1 -0.106 43.0-159.0 -63.0 155.6 -37.5 15.7 16.9 235 21 C D + 0 0 143 1,-0.2 2,-0.3 63,-0.0 -1,-0.1 0.863 66.9 27.0 -91.9 -49.5 -39.6 12.6 16.1 236 22 C N S >> S- 0 0 64 62,-0.1 3,-1.6 1,-0.0 4,-1.2 -0.789 80.6-102.7-132.7 161.0 -39.8 12.5 12.3 237 23 C A H 3> S+ 0 0 17 1,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.784 110.6 65.2 -59.2 -34.6 -38.1 13.7 9.3 238 24 C A H 3> S+ 0 0 56 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.828 102.1 47.7 -61.5 -38.0 -40.3 16.5 8.6 239 25 C Q H <> S+ 0 0 79 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.892 110.5 50.4 -68.0 -42.9 -39.3 18.3 11.7 240 26 C V H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 5,-0.2 0.897 107.1 55.1 -62.3 -43.1 -35.6 17.9 11.2 241 27 C K H X S+ 0 0 66 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.875 108.7 50.7 -56.7 -40.0 -35.9 19.2 7.6 242 28 C D H X S+ 0 0 63 -4,-1.1 4,-1.4 -5,-0.2 -1,-0.2 0.857 108.7 46.4 -70.0 -41.9 -37.4 22.3 8.9 243 29 C A H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.887 113.3 51.4 -69.2 -38.8 -35.0 23.2 11.5 244 30 C L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.896 105.5 54.8 -63.9 -41.4 -32.1 22.6 9.2 245 31 C T H X S+ 0 0 18 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.877 110.9 46.6 -60.9 -40.2 -33.7 24.8 6.6 246 32 C K H X S+ 0 0 106 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.832 110.4 50.8 -71.6 -36.5 -33.8 27.6 9.1 247 33 C M H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.888 107.8 55.1 -64.4 -39.3 -30.3 27.0 10.3 248 34 C A H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.957 110.3 44.2 -59.7 -51.2 -29.2 27.2 6.6 249 35 C A H X S+ 0 0 41 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.931 113.8 52.0 -59.2 -45.8 -30.8 30.6 6.1 250 36 C A H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.943 111.1 45.5 -58.9 -46.2 -29.4 31.7 9.4 251 37 C A H < S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.917 113.6 50.2 -65.6 -42.7 -25.9 30.7 8.5 252 38 C A H >< S+ 0 0 2 -4,-2.9 3,-1.2 1,-0.2 4,-0.3 0.924 112.2 47.0 -56.3 -46.0 -26.2 32.3 5.0 253 39 C D H >< S+ 0 0 49 -4,-3.1 3,-0.8 1,-0.3 -2,-0.2 0.853 105.4 61.4 -70.1 -28.0 -27.4 35.6 6.5 254 40 C A G >< S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.3 -1,-0.3 0.642 82.5 85.9 -68.2 -12.3 -24.6 35.5 9.1 255 41 C W G < S+ 0 0 12 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.866 85.7 50.2 -62.4 -41.1 -22.0 35.6 6.3 256 42 C S G < S+ 0 0 80 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.527 89.6 110.7 -72.1 -13.8 -22.0 39.3 6.1 257 43 C A < - 0 0 20 -3,-1.4 19,-0.0 -4,-0.2 -41,-0.0 -0.177 56.9-143.8 -74.7 160.3 -21.5 40.1 9.7 258 44 C T - 0 0 68 17,-0.0 -41,-0.1 5,-0.0 5,-0.1 -0.999 21.6-135.1-118.7 121.0 -18.7 41.5 11.6 259 45 C P > - 0 0 6 0, 0.0 3,-3.0 0, 0.0 61,-0.0 -0.570 20.9-116.3 -79.3 139.5 -18.1 40.1 15.1 260 46 C P G > S+ 0 0 90 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.839 110.5 65.8 -39.4 -54.2 -17.4 42.5 18.0 261 47 C K G 3 S+ 0 0 127 58,-0.5 3,-0.1 1,-0.3 59,-0.1 0.684 115.2 30.5 -47.6 -18.2 -13.9 41.1 18.6 262 48 C L G < S+ 0 0 7 -3,-3.0 -1,-0.3 57,-0.1 3,-0.2 -0.145 78.6 132.8-133.6 43.1 -12.9 42.4 15.2 263 49 C E S < S+ 0 0 152 -3,-2.7 -2,-0.1 1,-0.2 -1,-0.1 0.754 75.7 45.1 -61.6 -40.5 -15.1 45.4 14.9 264 50 C D S S+ 0 0 132 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.815 92.5 92.9 -69.3 -38.6 -12.3 47.6 13.8 265 51 C K S S- 0 0 80 -3,-0.2 -3,-0.1 1,-0.1 0, 0.0 -0.009 76.8-104.3 -74.4 163.9 -10.6 45.4 11.2 266 52 C S > - 0 0 59 1,-0.1 2,-3.2 0, 0.0 3,-2.3 -0.600 30.7-102.5 -91.5 161.5 -11.4 45.5 7.6 267 53 C P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.094 118.7 55.5 -69.9 38.1 -13.3 43.1 5.6 268 54 C D T 3 + 0 0 86 -2,-3.2 -3,-0.0 4,-0.0 5,-0.0 0.404 69.4 124.0-145.6 -15.3 -9.9 41.8 4.3 269 55 C S S <> S- 0 0 15 -3,-2.3 4,-2.5 1,-0.2 3,-0.5 -0.190 75.3-117.3 -46.5 144.1 -8.0 40.9 7.4 270 56 C P H > S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.728 121.5 61.1 -52.0 -21.2 -6.8 37.2 7.4 271 57 C E H > S+ 0 0 73 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.834 102.8 43.3 -79.7 -41.0 -9.1 37.3 10.4 272 58 C M H > S+ 0 0 6 -3,-0.5 4,-2.7 -6,-0.3 5,-0.2 0.933 116.0 50.2 -68.0 -42.8 -12.3 38.3 8.5 273 59 C H H X S+ 0 0 47 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.872 114.5 43.6 -62.5 -40.0 -11.3 35.8 5.8 274 60 C D H X S+ 0 0 24 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.853 111.6 55.4 -72.6 -32.1 -10.8 33.1 8.5 275 61 C F H >X S+ 0 0 8 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.975 109.9 44.8 -60.8 -53.1 -14.1 34.3 10.3 276 62 C R H >X S+ 0 0 20 -4,-2.7 4,-1.0 1,-0.2 3,-0.5 0.693 102.1 69.1 -63.9 -28.1 -16.1 33.8 7.2 277 63 C H H 3X S+ 0 0 19 -4,-0.8 4,-1.9 -5,-0.2 3,-0.4 0.875 91.4 59.0 -57.4 -41.7 -14.4 30.4 6.5 278 64 C G H <>S+ 0 0 11 -4,-1.5 5,-1.6 1,-0.2 3,-1.3 0.961 107.4 52.2 -63.4 -45.7 -30.0 12.8 5.1 293 79 C A H ><5S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.891 105.7 54.7 -56.2 -40.3 -33.2 14.1 6.4 294 80 C N H 3<5S+ 0 0 38 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.703 103.7 57.1 -66.0 -20.4 -34.7 14.0 2.8 295 81 C E T <<5S- 0 0 25 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.305 117.8-114.8 -91.4 6.4 -33.7 10.3 2.7 296 82 C C T < 5S+ 0 0 93 -3,-1.9 2,-1.5 1,-0.2 3,-0.2 0.654 72.1 140.5 65.0 21.3 -35.8 9.7 5.9 297 83 C K >< + 0 0 54 -5,-1.6 4,-2.1 1,-0.2 5,-0.2 -0.586 21.9 169.2 -90.2 69.5 -32.6 8.9 7.8 298 84 C V H > S+ 0 0 37 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.882 70.4 42.7 -54.7 -52.8 -33.8 10.6 10.9 299 85 C K H > S+ 0 0 176 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 112.1 53.0 -65.5 -42.6 -31.2 9.4 13.3 300 86 C E H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 110.7 49.1 -60.2 -36.1 -28.3 9.9 10.9 301 87 C A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.918 108.1 53.4 -70.3 -38.9 -29.4 13.5 10.4 302 88 C Q H X S+ 0 0 40 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.819 109.4 48.4 -62.8 -37.4 -29.6 14.0 14.1 303 89 C A H X S+ 0 0 33 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.854 107.2 54.4 -70.1 -38.2 -26.1 12.9 14.5 304 90 C A H X S+ 0 0 18 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.931 109.4 50.5 -61.6 -39.5 -24.9 15.1 11.7 305 91 C A H >X S+ 0 0 3 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.919 109.1 49.8 -64.1 -43.9 -26.5 18.0 13.6 306 92 C E H >< S+ 0 0 95 -4,-1.7 3,-1.2 1,-0.2 4,-0.3 0.880 106.5 56.4 -59.6 -40.0 -24.7 16.9 16.8 307 93 C Q H >< S+ 0 0 53 -4,-2.5 3,-0.9 1,-0.3 4,-0.4 0.698 92.6 71.3 -68.7 -19.2 -21.4 16.8 15.0 308 94 C L H XX S+ 0 0 1 -3,-0.9 4,-1.7 -4,-0.8 3,-1.5 0.772 77.9 77.7 -62.5 -30.4 -21.9 20.4 13.9 309 95 C K H S+ 0 0 39 -3,-0.9 4,-1.5 -4,-0.3 -1,-0.3 0.863 105.8 44.1 -47.4 -43.1 -17.5 21.0 16.7 311 97 C T H <> S+ 0 0 10 -3,-1.5 4,-2.0 -4,-0.4 -1,-0.2 0.871 112.6 51.0 -70.7 -43.5 -17.7 23.8 14.1 312 98 C C H X S+ 0 0 28 -4,-1.7 4,-2.4 1,-0.2 3,-0.4 0.973 114.2 44.0 -55.1 -57.5 -19.8 26.1 16.4 313 99 C N H X S+ 0 0 85 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.837 108.7 58.6 -57.7 -37.1 -17.3 25.6 19.2 314 100 C A H X S+ 0 0 18 -4,-1.5 4,-0.6 -5,-0.3 -1,-0.2 0.911 111.0 40.8 -64.5 -39.3 -14.4 26.1 16.9 315 101 C C H >X S+ 0 0 27 -4,-2.0 4,-3.1 -3,-0.4 3,-1.0 0.930 112.5 54.4 -75.0 -42.0 -15.5 29.5 15.9 316 102 C H H 3X S+ 0 0 47 -4,-2.4 4,-1.5 1,-0.3 -2,-0.2 0.868 104.5 54.3 -58.3 -40.4 -16.6 30.6 19.4 317 103 C Q H 3< S+ 0 0 160 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.724 118.9 34.5 -69.6 -21.6 -13.2 29.8 20.9 318 104 C K H << S+ 0 0 88 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.825 134.4 16.7 -96.2 -40.1 -11.5 32.0 18.4 319 105 C Y H < 0 0 24 -4,-3.1 -58,-0.5 -5,-0.1 -3,-0.2 0.591 360.0 360.0-120.7 -15.4 -13.9 34.8 17.7 320 106 C R < 0 0 218 -4,-1.5 0, 0.0 -5,-0.5 0, 0.0 -0.658 360.0 360.0 -83.0 360.0 -16.5 35.1 20.4 321 !* 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 86 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.4 -3.7 -1.6 1.8 323 2 D D > - 0 0 90 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.193 360.0-105.7 -73.6 164.8 -6.1 -3.3 4.3 324 3 D L H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.934 119.2 44.9 -54.7 -56.7 -8.7 -1.5 6.5 325 4 D E H > S+ 0 0 157 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 112.8 56.1 -58.7 -37.4 -6.9 -1.7 9.9 326 5 D D H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 108.3 45.8 -55.5 -50.7 -3.7 -0.6 8.0 327 6 D N H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.928 108.1 55.3 -64.5 -45.0 -5.4 2.4 6.8 328 7 D M H X S+ 0 0 53 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.890 106.5 52.5 -50.4 -44.1 -6.8 3.3 10.1 329 8 D E H X S+ 0 0 107 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.926 109.1 49.6 -59.0 -47.7 -3.2 3.2 11.6 330 9 D T H X S+ 0 0 51 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.880 111.4 49.8 -58.5 -40.2 -2.0 5.6 8.9 331 10 D L H X S+ 0 0 16 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.949 117.1 40.0 -63.1 -51.7 -5.0 7.8 9.8 332 11 D N H X S+ 0 0 79 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.903 114.1 51.6 -65.0 -44.3 -4.2 7.7 13.5 333 12 D D H X S+ 0 0 80 -4,-3.8 4,-1.9 1,-0.2 -3,-0.2 0.921 112.7 46.3 -59.0 -45.2 -0.4 7.9 13.2 334 13 D N H X S+ 0 0 16 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.819 103.0 62.4 -74.6 -29.1 -0.6 11.0 11.0 335 14 D L H X S+ 0 0 15 -4,-1.5 4,-2.4 2,-0.2 3,-0.2 0.967 108.3 44.9 -53.0 -51.9 -3.1 12.7 13.2 336 15 D K H X S+ 0 0 102 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.898 107.5 56.9 -60.7 -43.6 -0.5 12.7 15.9 337 16 D V H X S+ 0 0 70 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.897 111.0 46.2 -53.9 -38.4 2.2 13.8 13.5 338 17 D I H >< S+ 0 0 2 -4,-2.3 3,-1.1 -3,-0.2 -2,-0.2 0.956 105.6 58.0 -72.4 -39.9 -0.0 16.8 12.8 339 18 D E H 3< S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.899 118.3 32.4 -55.3 -44.3 -0.7 17.5 16.5 340 19 D K H 3< S+ 0 0 147 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.492 90.7 125.8 -96.6 -5.4 3.0 17.9 17.2 341 20 D A << - 0 0 14 -3,-1.1 3,-0.1 -4,-0.8 -3,-0.1 -0.093 43.7-157.8 -62.0 154.2 4.2 19.4 13.9 342 21 D D + 0 0 129 1,-0.2 2,-0.3 63,-0.0 -1,-0.1 0.869 65.5 23.0 -90.5 -49.2 6.2 22.6 13.6 343 22 D N S >> S- 0 0 105 62,-0.1 4,-1.2 1,-0.0 3,-1.2 -0.801 80.6 -97.2-132.1 161.3 5.8 23.9 10.1 344 23 D A H >> S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.2 3,-0.5 0.835 112.2 61.8 -41.7 -50.2 3.6 23.8 7.0 345 24 D A H 3> S+ 0 0 69 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.809 104.1 46.5 -55.4 -40.8 5.6 21.2 5.2 346 25 D Q H <> S+ 0 0 78 -3,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.813 111.1 51.1 -71.0 -37.3 5.1 18.5 7.8 347 26 D V H < S+ 0 0 4 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.940 112.2 46.5 -61.8 -45.4 -9.4 6.9 -0.4 360 39 D D H >< S+ 0 0 54 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.822 105.5 62.5 -66.0 -28.2 -8.0 3.3 -0.2 361 40 D A H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 -1,-0.3 0.711 82.5 86.3 -69.1 -13.9 -10.3 2.6 2.7 362 41 D W T << S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.857 85.2 47.3 -60.5 -44.1 -13.3 3.2 0.5 363 42 D S T < S+ 0 0 92 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.475 90.0 116.6 -78.2 -3.2 -13.7 -0.2 -1.0 364 43 D A < - 0 0 21 -3,-2.0 -41,-0.0 -4,-0.1 -3,-0.0 -0.335 55.6-144.6 -79.0 148.6 -13.4 -2.0 2.4 365 44 D T - 0 0 75 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.956 20.8-136.3-108.5 119.0 -16.0 -4.1 4.2 366 45 D P > - 0 0 6 0, 0.0 3,-3.0 0, 0.0 61,-0.0 -0.545 20.1-116.6 -79.9 140.3 -15.9 -3.7 8.0 367 46 D P G > S+ 0 0 95 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.823 112.1 62.8 -40.1 -51.0 -16.3 -6.9 10.1 368 47 D K G 3 S+ 0 0 123 58,-0.5 3,-0.3 1,-0.3 59,-0.1 0.699 109.0 43.2 -53.0 -22.1 -19.6 -5.9 11.7 369 48 D L G < + 0 0 8 -3,-3.0 -1,-0.3 1,-0.2 3,-0.3 -0.078 68.4 117.9-119.6 38.6 -21.1 -5.9 8.1 370 49 D E S < S+ 0 0 163 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.872 77.2 62.1 -62.9 -34.5 -19.6 -9.0 6.9 371 50 D D S S+ 0 0 113 -3,-0.3 2,-0.3 -4,-0.3 -1,-0.2 0.804 92.2 73.9 -62.1 -39.1 -23.3 -9.9 6.8 372 51 D K S S- 0 0 99 -3,-0.3 -3,-0.0 1,-0.1 -1,-0.0 -0.650 75.8-123.5 -92.4 135.1 -24.5 -7.3 4.2 373 52 D S > - 0 0 76 -2,-0.3 3,-1.4 1,-0.1 2,-1.3 -0.046 47.8 -89.9 -52.5 165.3 -24.0 -7.1 0.4 374 53 D P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.123 124.2 59.2 -73.9 37.6 -22.3 -3.9 -1.0 375 54 D D T 3 + 0 0 81 -2,-1.3 5,-0.1 5,-0.0 -2,-0.0 0.402 68.4 125.6-145.0 -4.1 -25.8 -2.3 -1.3 376 55 D S S X> S- 0 0 8 -3,-1.4 4,-2.4 1,-0.2 3,-1.2 -0.127 75.6-118.6 -55.2 139.0 -27.1 -2.4 2.2 377 56 D P H 3> S+ 0 0 85 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.726 121.0 60.7 -51.0 -13.0 -28.3 1.0 3.5 378 57 D E H 3> S+ 0 0 78 2,-0.2 4,-0.8 3,-0.2 -2,-0.1 0.734 104.6 43.1 -88.4 -37.2 -25.4 0.0 6.0 379 58 D M H <> S+ 0 0 4 -3,-1.2 4,-2.5 -6,-0.2 5,-0.2 0.877 114.5 49.6 -75.5 -40.1 -22.7 -0.1 3.3 380 59 D H H X S+ 0 0 39 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.969 114.7 44.8 -62.5 -45.3 -23.9 2.9 1.7 381 60 D D H X S+ 0 0 18 -4,-1.4 4,-1.0 -5,-0.3 -1,-0.2 0.789 110.9 56.2 -64.5 -28.5 -23.9 4.6 5.1 382 61 D F H X S+ 0 0 8 -4,-0.8 4,-0.5 1,-0.2 3,-0.4 0.932 109.0 44.4 -67.9 -43.3 -20.5 3.1 5.8 383 62 D R H >X S+ 0 0 19 -4,-2.5 4,-1.0 1,-0.2 3,-0.8 0.793 102.1 68.4 -68.6 -28.3 -19.0 4.6 2.8 384 63 D H H 3X S+ 0 0 23 -4,-1.5 4,-2.0 1,-0.3 3,-0.5 0.873 91.3 60.9 -59.7 -39.9 -20.7 8.0 3.4 385 64 D G H 3X S+ 0 0 17 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.3 0.806 101.7 54.8 -56.6 -31.7 -18.5 8.6 6.5 386 65 D F H <>S+ 0 0 13 -4,-1.5 5,-2.0 -3,-0.4 3,-0.9 0.946 107.7 48.5 -65.7 -46.4 -5.2 25.5 4.9 400 79 D A H ><5S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.883 105.8 57.1 -56.5 -44.4 -1.7 24.0 5.1 401 80 D N H 3<5S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.724 104.2 54.3 -61.5 -21.6 -0.9 25.2 1.5 402 81 D E T <<5S- 0 0 23 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.291 118.6-115.7 -92.1 3.1 -1.7 28.7 2.7 403 82 D C T < 5 + 0 0 90 -3,-2.2 2,-2.7 1,-0.2 3,-0.2 0.462 69.9 142.7 76.5 7.7 0.8 28.3 5.5 404 83 D K >< + 0 0 49 -5,-2.0 4,-1.9 1,-0.2 5,-0.2 -0.396 21.3 171.0 -81.7 71.8 -2.0 28.5 8.1 405 84 D V H > S+ 0 0 34 -2,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.836 70.5 42.6 -51.3 -49.1 -0.3 25.9 10.3 406 85 D K H > S+ 0 0 170 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.925 111.9 53.8 -70.8 -39.9 -2.5 26.3 13.4 407 86 D E H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.795 112.2 46.2 -60.7 -35.9 -5.7 26.5 11.4 408 87 D A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.867 106.7 56.5 -71.2 -40.1 -4.8 23.3 9.7 409 88 D Q H X S+ 0 0 38 -4,-1.9 4,-0.7 1,-0.3 -2,-0.2 0.698 111.4 46.9 -66.0 -22.2 -3.8 21.5 12.9 410 89 D A H X S+ 0 0 36 -4,-1.1 4,-2.5 2,-0.2 -1,-0.3 0.796 102.9 56.3 -97.0 -29.8 -7.1 22.2 14.2 411 90 D A H X S+ 0 0 17 -4,-1.0 4,-0.6 1,-0.2 -2,-0.2 0.879 108.3 55.7 -62.2 -36.8 -9.1 21.2 11.2 412 91 D A H < S+ 0 0 3 -4,-2.1 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4,-3.0 -3,-0.4 3,-1.7 0.953 112.8 54.2 -68.9 -46.9 -18.1 6.0 12.3 423 102 D H H 3X S+ 0 0 61 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.873 103.9 56.4 -52.7 -42.3 -16.5 4.0 15.1 424 103 D Q H 3< S+ 0 0 162 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.660 118.2 32.9 -64.5 -22.3 -19.6 4.3 17.3 425 104 D K H <4 S+ 0 0 82 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.791 133.7 18.5-100.5 -39.0 -21.7 2.8 14.6 426 105 D Y H < 0 0 22 -4,-3.0 -58,-0.5 -5,-0.1 -3,-0.2 0.622 360.0 360.0-122.2 -18.9 -19.5 0.3 12.7 427 106 D R < 0 0 216 -4,-1.4 0, 0.0 -5,-0.5 0, 0.0 -0.603 360.0 360.0 -84.6 360.0 -16.5 -0.7 14.8