==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-11 2YG9 . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSIDASE II, PUTATIVE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.MOE,D.R.HALL,I.LEIROS,V.TALSTAD,J.TIMMINS,S.MCSWEENEY . 413 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 2 0 3 2 1 2 6 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 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 19 A L 0 0 137 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.2 7.2 -18.6 48.3 2 20 A P - 0 0 100 0, 0.0 121,-0.2 0, 0.0 122,-0.1 -0.244 360.0-103.9 -60.3 142.9 5.6 -16.1 50.7 3 21 A A - 0 0 86 1,-0.1 2,-0.1 119,-0.1 118,-0.1 -0.342 46.8 -92.3 -61.5 143.6 1.9 -15.3 50.3 4 22 A V - 0 0 41 116,-0.3 -1,-0.1 -3,-0.1 115,-0.0 -0.362 38.8-139.9 -60.4 129.9 1.2 -11.9 48.7 5 23 A L - 0 0 70 -2,-0.1 148,-0.2 -3,-0.1 3,-0.1 -0.801 20.6-119.8 -91.5 132.3 0.8 -9.2 51.4 6 24 A P - 0 0 94 0, 0.0 3,-0.1 0, 0.0 144,-0.1 -0.337 34.7 -91.4 -69.2 153.0 -1.9 -6.7 50.7 7 25 A P - 0 0 41 0, 0.0 144,-0.1 0, 0.0 2,-0.1 -0.308 47.5-104.3 -56.3 143.2 -1.2 -3.0 50.3 8 26 A L - 0 0 44 142,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.432 24.7-164.7 -65.2 145.2 -1.4 -1.0 53.5 9 27 A T S S+ 0 0 126 1,-0.4 2,-0.3 -2,-0.1 -1,-0.1 0.567 80.1 10.1-106.3 -17.1 -4.5 1.1 53.8 10 28 A D - 0 0 92 25,-0.1 -1,-0.4 0, 0.0 4,-0.3 -0.953 67.9-134.5-153.1 158.2 -3.0 3.1 56.7 11 29 A H S > S+ 0 0 10 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 0.283 75.1 99.2 -99.3 8.2 0.5 3.3 58.2 12 30 A A H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.964 88.9 41.8 -63.7 -53.3 -0.2 3.2 62.0 13 31 A G H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 116.7 50.2 -55.2 -49.5 0.6 -0.5 62.4 14 32 A A H > S+ 0 0 1 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.938 111.1 47.2 -54.0 -52.5 3.6 -0.2 60.1 15 33 A V H X S+ 0 0 30 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.863 111.4 51.6 -62.9 -36.4 5.0 2.8 61.9 16 34 A A H < S+ 0 0 61 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.919 113.2 45.6 -65.7 -44.3 4.5 1.1 65.4 17 35 A H H >< S+ 0 0 37 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.963 115.5 44.8 -62.4 -52.1 6.3 -2.0 64.1 18 36 A L H >< S+ 0 0 1 -4,-2.8 3,-2.4 1,-0.3 7,-0.4 0.880 104.0 65.3 -60.1 -39.4 9.2 -0.0 62.5 19 37 A S T 3< S+ 0 0 38 -4,-2.5 -1,-0.3 1,-0.3 6,-0.2 0.568 80.6 78.9 -63.4 -12.7 9.5 2.2 65.6 20 38 A R T < S+ 0 0 81 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.689 83.1 71.8 -65.1 -20.7 10.6 -0.9 67.6 21 39 A D S <> S- 0 0 8 -3,-2.4 4,-2.5 -4,-0.2 3,-0.3 -0.899 87.0-144.4 -91.6 112.7 13.9 -0.2 65.9 22 40 A P H > S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.789 97.2 59.3 -53.2 -27.3 15.1 2.9 67.7 23 41 A V H > S+ 0 0 28 2,-0.2 4,-2.9 1,-0.2 3,-0.2 0.974 111.0 39.3 -63.8 -51.1 16.7 4.2 64.4 24 42 A L H > S+ 0 0 0 -6,-0.3 4,-3.1 -3,-0.3 5,-0.3 0.822 108.3 62.4 -72.9 -27.8 13.4 4.1 62.6 25 43 A A H X S+ 0 0 34 -4,-2.5 4,-1.5 -7,-0.4 -1,-0.2 0.941 112.9 38.0 -56.8 -44.0 11.6 5.5 65.7 26 44 A Q H X S+ 0 0 101 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.914 116.9 50.0 -70.5 -48.2 13.8 8.6 65.3 27 45 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.921 110.9 49.7 -59.7 -44.0 13.7 8.6 61.4 28 46 A T H X S+ 0 0 10 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.900 113.4 45.4 -65.4 -41.4 9.9 8.3 61.4 29 47 A S H < S+ 0 0 91 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.913 115.3 47.9 -68.5 -37.5 9.4 11.2 63.9 30 48 A L H < S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.826 120.0 37.5 -68.4 -34.2 12.0 13.4 62.1 31 49 A C H < S- 0 0 32 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.725 97.5-158.3 -93.4 -21.9 10.4 12.7 58.6 32 50 A G < - 0 0 33 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 -0.392 43.2 -9.8 78.0-157.5 6.8 12.7 59.7 33 51 A E - 0 0 151 -2,-0.1 -4,-0.0 -4,-0.1 -5,-0.0 -0.533 56.5-155.2 -83.6 142.3 3.9 11.1 57.9 34 52 A L - 0 0 27 -2,-0.2 -23,-0.1 1,-0.0 158,-0.0 -0.902 31.4 -97.9-112.6 143.0 4.2 9.7 54.3 35 53 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 -25,-0.1 -0.298 36.9-110.8 -62.1 143.3 1.2 9.3 52.0 36 54 A V - 0 0 71 -27,-0.1 2,-0.4 1,-0.0 -27,-0.0 -0.631 32.6-134.5 -72.0 122.8 -0.6 5.9 51.7 37 55 A L - 0 0 46 -2,-0.5 -29,-0.1 109,-0.1 111,-0.1 -0.661 12.3-146.1 -82.0 130.6 0.1 4.4 48.2 38 56 A A - 0 0 76 -2,-0.4 112,-0.2 109,-0.1 -29,-0.1 -0.796 26.3-108.6 -93.9 135.3 -2.9 2.9 46.4 39 57 A P - 0 0 70 0, 0.0 110,-0.2 0, 0.0 109,-0.1 -0.383 42.7-107.6 -63.9 138.7 -2.2 -0.1 44.2 40 58 A T - 0 0 23 108,-2.6 108,-0.0 1,-0.1 -3,-0.0 -0.435 12.6-149.7 -68.7 139.9 -2.6 0.9 40.5 41 59 A P S S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 108,-0.0 0.566 96.2 49.0 -79.3 -7.2 -5.6 -0.2 38.5 42 60 A D > + 0 0 71 1,-0.1 4,-2.4 106,-0.1 5,-0.2 -0.642 60.9 167.2-134.6 72.1 -3.3 -0.2 35.4 43 61 A P H > S+ 0 0 17 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.894 78.4 54.2 -52.2 -47.1 -0.0 -2.0 36.1 44 62 A F H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.958 110.5 45.0 -53.9 -56.1 0.9 -2.2 32.4 45 63 A G H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 113.0 50.9 -56.1 -42.7 0.6 1.6 31.9 46 64 A R H X S+ 0 0 85 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.863 108.9 52.2 -65.5 -34.6 2.4 2.3 35.2 47 65 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.940 111.3 46.5 -59.9 -48.9 5.2 -0.0 34.0 48 66 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.912 111.3 52.2 -64.0 -41.2 5.4 1.9 30.7 49 67 A R H X S+ 0 0 82 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.919 110.4 48.5 -57.5 -46.6 5.4 5.2 32.7 50 68 A S H X S+ 0 0 43 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.949 114.5 44.5 -59.7 -51.1 8.3 4.1 34.9 51 69 A V H >< S+ 0 0 4 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.937 114.4 48.6 -59.9 -52.5 10.4 2.9 31.9 52 70 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 111.5 50.4 -57.9 -39.0 9.7 6.0 29.8 53 71 A G H >< S+ 0 0 16 -4,-2.2 3,-2.0 -5,-0.2 -1,-0.2 0.548 77.9 127.8 -77.7 -11.0 10.5 8.4 32.6 54 72 A Q T << S- 0 0 40 -3,-1.1 3,-0.1 -4,-0.8 43,-0.1 -0.227 84.4 -1.1 -59.9 130.8 13.9 6.8 33.6 55 73 A Q T 3 S+ 0 0 176 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.397 109.0 115.6 69.6 0.8 16.7 9.4 33.8 56 74 A L S < S- 0 0 65 -3,-2.0 -1,-0.2 1,-0.1 -3,-0.0 -0.616 73.9 -99.9 -97.4 158.9 14.4 12.2 32.7 57 75 A S > - 0 0 75 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.276 41.0-104.9 -65.5 163.0 13.3 15.3 34.7 58 76 A V H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.906 122.8 45.0 -59.4 -42.4 9.9 15.0 36.3 59 77 A K H > S+ 0 0 181 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 113.0 50.2 -68.2 -41.0 8.3 17.4 33.7 60 78 A A H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.871 109.1 52.4 -63.6 -39.5 10.0 15.6 30.8 61 79 A A H X S+ 0 0 23 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.906 111.2 47.2 -62.5 -42.0 8.8 12.2 32.1 62 80 A Q H X S+ 0 0 95 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.934 111.2 51.2 -65.3 -48.3 5.2 13.5 32.3 63 81 A A H X S+ 0 0 43 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.875 111.2 46.3 -51.4 -52.0 5.4 15.0 28.8 64 82 A I H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.876 110.8 52.0 -67.7 -37.4 6.7 11.8 27.1 65 83 A Y H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.902 108.3 53.0 -64.7 -37.6 4.1 9.6 28.9 66 84 A G H X S+ 0 0 29 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.873 106.5 52.2 -64.3 -37.4 1.4 12.1 27.6 67 85 A R H < S+ 0 0 120 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.875 108.8 50.1 -66.4 -35.0 2.8 11.6 24.1 68 86 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.937 108.3 52.6 -62.1 -49.3 2.5 7.8 24.5 69 87 A E H 3< S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 105.5 57.9 -53.0 -27.2 -1.1 8.3 25.7 70 88 A G T 3< S+ 0 0 63 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.567 82.8 100.9 -88.5 -11.0 -1.7 10.3 22.5 71 89 A L S X S- 0 0 26 -3,-1.5 3,-2.5 -4,-0.5 2,-0.1 -0.385 96.9 -75.2 -66.6 154.7 -0.7 7.5 20.2 72 90 A P T 3 S+ 0 0 106 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 -0.331 121.5 9.0 -55.2 122.2 -3.6 5.6 18.6 73 91 A G T 3 S- 0 0 59 -3,-0.1 6,-0.2 -2,-0.1 7,-0.2 0.333 106.3-126.3 87.4 -6.2 -5.2 3.3 21.3 74 92 A G < - 0 0 14 -3,-2.5 2,-1.7 -6,-0.1 -5,-0.1 -0.172 61.1 -18.9 65.2-157.1 -3.1 4.8 24.1 75 93 A V S S+ 0 0 11 4,-0.1 -30,-0.2 -6,-0.1 -1,-0.1 -0.593 94.7 122.3 -93.1 77.1 -0.9 2.9 26.6 76 94 A V > - 0 0 76 -2,-1.7 4,-2.7 1,-0.1 5,-0.2 -0.987 68.4-119.1-139.0 137.1 -2.4 -0.5 26.1 77 95 A P H > S+ 0 0 24 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.875 109.9 43.4 -51.1 -49.7 -0.4 -3.6 25.0 78 96 A A H 4 S+ 0 0 54 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.880 115.7 49.8 -67.9 -36.6 -2.2 -4.4 21.7 79 97 A A H >4 S+ 0 0 17 -6,-0.2 3,-1.7 1,-0.2 4,-0.5 0.939 107.2 53.4 -66.9 -44.7 -2.3 -0.8 20.7 80 98 A L H >< S+ 0 0 4 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.772 102.2 59.9 -63.6 -28.6 1.4 -0.2 21.4 81 99 A L T 3< S+ 0 0 74 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.609 100.1 56.2 -72.2 -11.9 2.3 -3.1 19.1 82 100 A K T < S+ 0 0 178 -3,-1.7 2,-0.4 -4,-0.4 -1,-0.2 0.512 89.8 88.4 -97.4 -6.4 0.6 -1.4 16.2 83 101 A V S < S- 0 0 15 -3,-0.6 2,-0.1 -4,-0.5 -12,-0.0 -0.755 84.5-121.4 -87.6 134.5 2.9 1.6 16.7 84 102 A S > - 0 0 55 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.359 17.5-115.9 -73.0 159.1 6.1 1.4 14.7 85 103 A G H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 118.0 58.4 -59.6 -32.6 9.5 1.5 16.5 86 104 A D H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 106.0 46.9 -66.5 -37.3 10.1 4.7 14.5 87 105 A D H > S+ 0 0 97 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.831 111.0 51.4 -74.3 -31.6 7.0 6.3 16.0 88 106 A L H ><>S+ 0 0 0 -4,-1.9 5,-1.3 2,-0.2 3,-0.7 0.909 111.9 46.7 -69.2 -40.2 8.0 5.2 19.5 89 107 A R H ><5S+ 0 0 101 -4,-2.7 3,-2.4 1,-0.2 -2,-0.2 0.918 106.0 64.3 -57.0 -42.2 11.4 6.8 18.9 90 108 A G H 3<5S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.712 93.0 58.1 -55.0 -27.2 9.4 9.7 17.6 91 109 A V T <<5S- 0 0 14 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.568 130.1 -92.5 -82.3 -9.2 7.8 10.4 20.9 92 110 A G T < 5S+ 0 0 49 -3,-2.4 2,-0.2 -4,-0.3 -3,-0.2 0.447 75.6 145.8 115.4 5.3 11.3 10.8 22.4 93 111 A L < - 0 0 0 -5,-1.3 -1,-0.3 -29,-0.1 -41,-0.1 -0.497 48.7-121.0 -77.6 137.9 12.2 7.4 23.7 94 112 A S > - 0 0 47 -2,-0.2 4,-2.7 -42,-0.1 5,-0.2 -0.309 31.9-108.6 -59.6 157.9 15.7 6.0 23.6 95 113 A W H > S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 121.6 57.8 -57.9 -41.2 16.1 2.8 21.6 96 114 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 109.6 43.4 -51.3 -50.2 16.6 1.0 24.9 97 115 A K H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.915 110.3 56.1 -68.4 -39.1 13.2 2.2 26.1 98 116 A V H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.930 110.7 45.4 -51.2 -47.8 11.5 1.5 22.8 99 117 A R H X S+ 0 0 164 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 113.1 48.6 -66.4 -45.6 12.7 -2.1 23.1 100 118 A T H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.950 113.7 46.9 -59.5 -51.9 11.6 -2.5 26.7 101 119 A V H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.913 114.4 47.0 -58.0 -45.3 8.2 -1.0 25.9 102 120 A Q H X S+ 0 0 68 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.897 112.7 50.7 -59.8 -39.8 7.8 -3.3 22.9 103 121 A A H X S+ 0 0 22 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.898 110.9 47.6 -66.3 -42.7 8.9 -6.2 24.9 104 122 A A H X S+ 0 0 2 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.899 112.3 49.0 -66.3 -43.8 6.4 -5.5 27.8 105 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.926 112.5 49.1 -60.1 -44.1 3.5 -5.0 25.3 106 124 A A H X S+ 0 0 41 -4,-2.2 4,-2.0 1,-0.2 6,-0.3 0.886 109.0 52.4 -64.2 -36.3 4.5 -8.3 23.6 107 125 A A H <>S+ 0 0 8 -4,-2.1 6,-1.8 1,-0.2 5,-1.2 0.864 110.3 48.9 -70.0 -34.8 4.7 -10.1 27.0 108 126 A A H ><5S+ 0 0 25 -4,-1.8 3,-0.7 4,-0.2 -2,-0.2 0.920 113.9 43.7 -69.0 -45.5 1.2 -8.8 27.8 109 127 A V H 3<5S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.819 114.6 50.1 -75.8 -27.1 -0.5 -9.9 24.5 110 128 A S T 3<5S- 0 0 82 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.534 112.3-118.5 -85.2 -7.9 1.3 -13.3 24.5 111 129 A G T < 5S+ 0 0 56 -3,-0.7 -3,-0.2 -4,-0.5 3,-0.2 0.489 79.4 124.4 81.4 6.0 0.2 -14.0 28.1 112 130 A Q S + 0 0 87 -2,-0.4 3,-1.9 1,-0.2 -6,-0.1 -0.697 17.0 176.0-100.0 80.2 -0.7 -11.3 33.1 115 133 A F G > S+ 0 0 15 -2,-1.2 3,-0.6 1,-0.3 -1,-0.2 0.759 77.0 59.3 -60.1 -25.3 -0.7 -7.6 34.1 116 134 A A G 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.705 111.5 39.7 -76.3 -18.8 -4.5 -7.9 34.8 117 135 A H G < S+ 0 0 127 -3,-1.9 3,-0.3 1,-0.1 -1,-0.2 -0.307 71.5 116.7-129.4 51.2 -3.9 -10.6 37.5 118 136 A L X + 0 0 15 -3,-0.6 3,-2.6 1,-0.2 -1,-0.1 0.731 55.1 87.2 -85.2 -22.9 -0.8 -9.8 39.5 119 137 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.695 92.8 43.7 -52.3 -30.7 -2.6 -9.4 42.8 120 138 A G T 3 S+ 0 0 62 -3,-0.3 -1,-0.3 2,-0.1 -116,-0.3 0.489 92.4 99.6 -95.1 -5.6 -2.3 -13.1 43.5 121 139 A Q S < S- 0 0 76 -3,-2.6 5,-0.0 -4,-0.1 -3,-0.0 -0.665 76.1-116.1 -87.5 131.1 1.4 -13.5 42.5 122 140 A P >> - 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0 0 42 142,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.538 22.1-166.0 -72.3 142.0 -4.9 -14.6 73.2 216 27 B T S S+ 0 0 130 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.486 81.9 11.4-100.9 -6.9 -7.7 -16.8 72.0 217 28 B D - 0 0 92 25,-0.1 -1,-0.3 27,-0.0 4,-0.3 -0.967 66.9-132.9-161.7 160.3 -5.2 -18.8 69.8 218 29 B H S > S+ 0 0 24 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.389 73.4 100.7-100.3 4.7 -1.4 -19.0 69.4 219 30 B A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.920 88.8 40.1 -59.9 -51.2 -0.9 -18.8 65.6 220 31 B G H > S+ 0 0 44 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.875 116.0 51.1 -64.7 -40.3 0.1 -15.1 65.4 221 32 B A H > S+ 0 0 2 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.942 111.9 46.7 -64.0 -46.6 2.2 -15.3 68.6 222 33 B V H X S+ 0 0 37 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.866 111.4 51.3 -65.1 -38.4 4.2 -18.3 67.3 223 34 B A H < S+ 0 0 62 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.924 113.9 45.0 -64.6 -41.5 4.7 -16.8 63.9 224 35 B H H >< S+ 0 0 37 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.929 115.3 45.7 -66.3 -48.5 6.1 -13.7 65.6 225 36 B L H >< S+ 0 0 1 -4,-2.8 3,-2.0 1,-0.2 6,-0.3 0.850 103.7 65.3 -62.1 -35.2 8.2 -15.6 68.1 226 37 B S T 3< S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.3 6,-0.2 0.597 79.7 79.6 -68.6 -10.5 9.5 -17.8 65.3 227 38 B R T < S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.671 83.6 72.5 -65.0 -20.5 11.2 -14.7 63.8 228 39 B D S <> S- 0 0 7 -3,-2.0 4,-2.6 -4,-0.2 3,-0.2 -0.911 86.1-144.8 -91.2 112.1 13.8 -15.5 66.4 229 40 B P H > S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.763 97.3 58.5 -56.2 -24.9 15.6 -18.6 65.2 230 41 B V H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.960 111.5 39.9 -68.2 -49.8 16.0 -19.9 68.8 231 42 B L H > S+ 0 0 0 -6,-0.3 4,-3.0 -3,-0.2 5,-0.3 0.812 107.7 62.9 -74.1 -26.3 12.2 -19.8 69.4 232 43 B A H X S+ 0 0 35 -4,-2.6 4,-1.5 -7,-0.3 -1,-0.2 0.945 113.5 36.9 -55.5 -45.3 11.5 -21.2 65.9 233 44 B Q H X S+ 0 0 100 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.898 116.8 51.6 -71.4 -45.4 13.4 -24.3 67.0 234 45 B V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.929 111.5 46.8 -60.5 -46.1 12.1 -24.2 70.6 235 46 B T H X S+ 0 0 11 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.915 113.5 48.2 -62.8 -40.7 8.4 -24.0 69.5 236 47 B S H < S+ 0 0 92 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.937 114.8 46.2 -67.7 -39.1 8.8 -26.8 66.9 237 48 B L H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 119.5 39.5 -65.9 -35.7 10.6 -29.0 69.5 238 49 B C H < S- 0 0 31 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.694 96.3-158.8 -93.5 -20.0 8.0 -28.3 72.2 239 50 B G < - 0 0 32 -4,-2.2 -1,-0.2 -5,-0.2 2,-0.1 -0.307 44.0 -7.5 77.9-161.3 4.9 -28.4 70.1 240 51 B E - 0 0 192 -4,-0.1 -4,-0.0 -2,-0.1 0, 0.0 -0.403 57.8-156.8 -72.8 143.8 1.6 -26.8 71.0 241 52 B L - 0 0 31 -2,-0.1 -23,-0.1 1,-0.0 158,-0.0 -0.926 31.9 -94.9-119.1 145.4 0.9 -25.2 74.4 242 53 B P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 -25,-0.1 -0.265 36.8-114.6 -61.0 144.6 -2.6 -24.8 75.8 243 54 B V - 0 0 67 -27,-0.1 2,-0.2 1,-0.0 -27,-0.0 -0.702 31.6-137.9 -80.2 121.5 -4.4 -21.4 75.3 244 55 B L - 0 0 47 -2,-0.5 -29,-0.1 109,-0.1 111,-0.1 -0.606 10.7-149.1 -83.4 144.3 -4.9 -19.8 78.7 245 56 B A - 0 0 72 -2,-0.2 112,-0.2 109,-0.2 2,-0.2 -0.880 25.3-107.0-111.0 139.4 -8.2 -18.0 79.5 246 57 B P - 0 0 61 0, 0.0 110,-0.3 0, 0.0 109,-0.1 -0.477 38.6-117.5 -67.5 135.0 -8.4 -15.0 81.8 247 58 B T - 0 0 18 108,-3.3 79,-0.1 -2,-0.2 108,-0.0 -0.467 10.6-153.6 -70.0 136.0 -10.0 -16.0 85.2 248 59 B P S S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.491 94.1 60.1 -78.6 -5.7 -13.3 -14.2 86.1 249 60 B D > + 0 0 72 1,-0.1 4,-2.6 106,-0.1 5,-0.2 -0.568 57.3 159.4-124.8 67.9 -12.2 -14.9 89.7 250 61 B P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.884 77.6 52.1 -56.3 -42.5 -8.8 -13.1 90.3 251 62 B F H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 112.7 42.8 -60.2 -52.7 -9.3 -13.1 94.1 252 63 B G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 113.9 52.0 -61.2 -40.4 -10.0 -16.8 94.3 253 64 B R H X S+ 0 0 86 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.871 109.2 50.4 -66.7 -34.8 -7.2 -17.6 91.9 254 65 B L H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.946 111.0 48.2 -65.7 -47.7 -4.7 -15.5 93.9 255 66 B V H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.882 110.7 53.6 -60.6 -36.8 -5.8 -17.4 97.2 256 67 B R H X S+ 0 0 85 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.920 110.8 44.6 -62.1 -44.1 -5.3 -20.6 95.2 257 68 B S H X S+ 0 0 46 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.934 115.6 46.9 -69.4 -46.7 -1.8 -19.8 94.2 258 69 B V H >< S+ 0 0 6 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.953 113.6 48.7 -56.1 -50.9 -0.8 -18.5 97.7 259 70 B A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.832 113.2 48.6 -58.9 -38.1 -2.3 -21.6 99.4 260 71 B G H >< S+ 0 0 16 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.3 0.497 77.5 126.3 -82.8 -8.4 -0.5 -23.9 97.0 261 72 B Q T << S+ 0 0 43 -3,-1.2 3,-0.1 -4,-0.7 43,-0.1 -0.320 85.6 0.0 -63.7 132.4 3.0 -22.5 97.2 262 73 B Q T 3 S+ 0 0 173 1,-0.2 -1,-0.3 -2,-0.0 2,-0.2 0.435 108.8 113.8 68.2 4.1 5.7 -25.2 98.0 263 74 B L S < S- 0 0 70 -3,-1.8 -1,-0.2 1,-0.1 2,-0.1 -0.639 74.5 -99.2 -97.1 161.3 3.0 -27.9 98.2 264 75 B S > - 0 0 73 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.362 39.3-106.9 -68.8 157.9 2.5 -31.0 96.0 265 76 B V H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.949 122.1 46.2 -52.2 -50.2 -0.1 -30.7 93.3 266 77 B K H > S+ 0 0 184 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 113.3 48.6 -58.4 -41.9 -2.5 -33.0 95.3 267 78 B A H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.894 109.6 52.6 -72.3 -38.1 -1.8 -31.2 98.6 268 79 B A H X S+ 0 0 21 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.890 110.1 47.5 -61.3 -44.6 -2.5 -27.8 97.0 269 80 B Q H X S+ 0 0 94 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.922 112.7 50.4 -63.2 -42.6 -5.8 -28.8 95.5 270 81 B A H X S+ 0 0 45 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.903 109.8 47.9 -65.4 -43.9 -6.8 -30.3 98.9 271 82 B I H X S+ 0 0 5 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.906 111.9 51.4 -65.2 -38.6 -5.9 -27.3 101.0 272 83 B Y H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.920 108.4 50.5 -65.4 -42.4 -7.9 -25.0 98.5 273 84 B G H X S+ 0 0 27 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.870 107.1 55.7 -59.5 -38.7 -10.9 -27.3 98.7 274 85 B R H < S+ 0 0 120 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.881 108.3 47.0 -55.7 -42.6 -10.6 -27.0 102.5 275 86 B L H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.912 108.0 56.0 -66.0 -42.3 -10.8 -23.2 102.1 276 87 B E H 3< S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.828 102.9 58.3 -57.4 -28.7 -13.8 -23.6 99.8 277 88 B G T 3< S+ 0 0 67 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.537 82.4 101.3 -82.7 -8.8 -15.5 -25.5 102.6 278 89 B L S X S- 0 0 27 -3,-1.4 3,-2.1 -4,-0.4 2,-0.2 -0.376 96.8 -73.3 -68.9 159.5 -15.2 -22.7 105.1 279 90 B P T 3 S+ 0 0 103 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 -0.385 122.7 7.2 -60.6 118.6 -18.5 -20.7 105.6 280 91 B G T 3 S- 0 0 57 -2,-0.2 6,-0.2 -4,-0.1 7,-0.2 0.274 106.0-126.3 88.3 -9.5 -19.0 -18.5 102.6 281 92 B G < - 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