==== 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 2YG8 . 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) . 21306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 66.1 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 . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.1 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 . 10 2.4 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 1 1 4 2 0 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 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.3 7.1 -18.4 48.7 2 20 A P - 0 0 108 0, 0.0 121,-0.2 0, 0.0 122,-0.1 -0.110 360.0-104.5 -48.1 138.7 5.6 -15.9 51.2 3 21 A A - 0 0 85 1,-0.1 2,-0.2 119,-0.1 120,-0.1 -0.316 46.6 -88.3 -59.7 148.3 1.8 -15.2 50.6 4 22 A V - 0 0 44 116,-0.2 -1,-0.1 -3,-0.1 115,-0.0 -0.418 40.6-143.1 -64.3 124.0 1.0 -11.8 49.0 5 23 A L - 0 0 70 -2,-0.2 148,-0.2 -3,-0.1 3,-0.1 -0.768 20.0-119.8 -86.9 133.6 0.6 -9.1 51.6 6 24 A P - 0 0 93 0, 0.0 3,-0.1 0, 0.0 144,-0.1 -0.326 34.1 -91.4 -71.4 152.9 -2.1 -6.5 50.9 7 25 A P - 0 0 45 0, 0.0 144,-0.1 0, 0.0 2,-0.1 -0.311 47.3-103.3 -58.0 144.8 -1.3 -2.8 50.5 8 26 A L - 0 0 43 142,-0.4 3,-0.1 1,-0.1 29,-0.0 -0.428 23.4-163.8 -64.5 142.1 -1.5 -0.8 53.7 9 27 A T S S+ 0 0 131 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.557 80.0 6.8-101.5 -15.1 -4.6 1.3 54.0 10 28 A D - 0 0 92 25,-0.1 -1,-0.3 1,-0.0 4,-0.3 -0.954 66.9-132.0-159.2 162.5 -3.1 3.4 56.8 11 29 A H S > S+ 0 0 9 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 0.379 75.8 98.8-104.4 3.1 0.4 3.6 58.4 12 30 A A H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.945 90.2 41.0 -59.8 -52.6 -0.3 3.5 62.2 13 31 A G H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 116.1 51.0 -59.3 -47.0 0.4 -0.2 62.6 14 32 A A H > S+ 0 0 1 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.945 110.6 47.7 -54.2 -52.4 3.4 -0.0 60.3 15 33 A V H X S+ 0 0 29 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.876 110.5 52.3 -63.5 -37.3 5.0 2.9 62.2 16 34 A A H < S+ 0 0 63 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.2 0.916 112.8 45.3 -63.3 -42.9 4.4 1.3 65.6 17 35 A H H >< S+ 0 0 34 -4,-2.1 3,-1.6 2,-0.2 4,-0.2 0.950 115.3 45.9 -63.9 -49.3 6.2 -1.9 64.4 18 36 A L H >< S+ 0 0 1 -4,-2.8 3,-2.4 1,-0.3 6,-0.3 0.878 103.4 65.3 -61.2 -35.9 9.1 0.1 62.7 19 37 A S T 3< S+ 0 0 40 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.529 80.2 79.1 -69.9 -5.9 9.4 2.2 65.8 20 38 A R T < S+ 0 0 102 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.726 83.4 71.4 -67.8 -23.1 10.4 -0.9 67.8 21 39 A D S <> S- 0 0 28 -3,-2.4 4,-2.4 -4,-0.2 3,-0.4 -0.852 85.8-146.1 -88.0 112.2 13.8 -0.2 66.1 22 40 A P H > S+ 0 0 98 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.798 96.3 59.0 -57.0 -25.1 15.0 2.9 67.9 23 41 A V H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.957 111.9 39.6 -62.2 -49.1 16.7 4.2 64.7 24 42 A L H > S+ 0 0 0 -3,-0.4 4,-2.9 -6,-0.3 5,-0.3 0.798 106.7 64.0 -74.0 -27.1 13.4 4.2 62.9 25 43 A A H X S+ 0 0 34 -4,-2.4 4,-1.3 -7,-0.3 -1,-0.2 0.934 112.1 37.8 -56.7 -44.9 11.5 5.5 65.9 26 44 A Q H X S+ 0 0 102 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.927 116.3 51.0 -71.6 -47.3 13.7 8.7 65.5 27 45 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.910 110.6 49.1 -59.4 -44.6 13.6 8.7 61.7 28 46 A T H X S+ 0 0 9 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.905 113.3 46.4 -64.1 -38.5 9.8 8.4 61.5 29 47 A S H < S+ 0 0 92 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.900 114.5 47.5 -73.7 -34.5 9.3 11.2 64.1 30 48 A L H < S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 118.6 40.1 -70.7 -31.4 11.8 13.5 62.3 31 49 A C H < S- 0 0 32 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.718 97.6-155.1 -92.2 -20.8 10.3 12.9 58.8 32 50 A G < - 0 0 34 -4,-1.8 2,-0.2 -5,-0.2 -1,-0.2 -0.387 44.2 -13.4 77.8-158.2 6.6 12.9 59.9 33 51 A E - 0 0 146 -2,-0.1 -4,-0.0 -4,-0.1 -5,-0.0 -0.539 56.6-154.6 -83.3 142.8 3.8 11.2 58.0 34 52 A L - 0 0 26 -2,-0.2 -23,-0.1 1,-0.0 -2,-0.0 -0.892 32.2 -96.2-111.3 145.0 4.2 9.9 54.5 35 53 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 -25,-0.1 -0.278 36.5-111.2 -63.2 147.3 1.2 9.5 52.1 36 54 A V - 0 0 69 -27,-0.1 2,-0.4 1,-0.0 -27,-0.1 -0.637 33.6-133.5 -76.3 126.6 -0.6 6.1 51.9 37 55 A L - 0 0 46 -2,-0.4 111,-0.1 113,-0.1 -1,-0.0 -0.674 12.0-145.1 -86.3 136.1 0.1 4.6 48.4 38 56 A A - 0 0 75 -2,-0.4 112,-0.2 109,-0.1 2,-0.1 -0.833 25.0-110.4 -98.7 137.8 -2.9 3.1 46.5 39 57 A P - 0 0 69 0, 0.0 110,-0.2 0, 0.0 109,-0.1 -0.412 42.6-107.9 -66.5 139.0 -2.3 0.1 44.3 40 58 A T - 0 0 23 108,-2.5 108,-0.0 1,-0.1 -3,-0.0 -0.432 12.4-148.8 -70.5 140.1 -2.6 1.1 40.6 41 59 A P S S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 108,-0.0 0.631 96.4 48.9 -76.8 -9.3 -5.7 0.0 38.7 42 60 A D > + 0 0 73 1,-0.1 4,-2.4 106,-0.1 5,-0.2 -0.642 60.5 168.7-132.1 73.4 -3.4 -0.0 35.6 43 61 A P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.881 79.8 53.3 -53.6 -42.2 -0.1 -1.9 36.2 44 62 A F H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.942 110.7 44.7 -58.3 -52.4 0.8 -2.0 32.5 45 63 A G H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.859 113.3 51.7 -62.2 -36.4 0.5 1.7 32.1 46 64 A R H X S+ 0 0 86 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.864 108.1 51.8 -70.4 -35.8 2.4 2.4 35.3 47 65 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.911 111.3 47.0 -60.2 -48.0 5.2 0.1 34.2 48 66 A V H X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.917 111.0 52.3 -62.8 -42.9 5.4 2.0 30.9 49 67 A R H X S+ 0 0 85 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.916 110.9 47.5 -53.4 -48.5 5.3 5.3 32.8 50 68 A S H X S+ 0 0 41 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.950 115.3 44.2 -63.0 -47.9 8.2 4.2 35.0 51 69 A V H >< S+ 0 0 4 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.942 114.5 49.3 -60.4 -51.9 10.3 2.9 32.1 52 70 A A H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.0 48.9 -56.5 -39.9 9.6 6.1 30.0 53 71 A G H >< S+ 0 0 16 -4,-2.2 3,-2.2 -5,-0.2 -1,-0.2 0.567 78.3 128.1 -79.4 -12.1 10.5 8.4 32.8 54 72 A Q T << S- 0 0 39 -3,-1.0 3,-0.1 -4,-0.8 43,-0.1 -0.205 84.8 -0.9 -57.0 130.2 13.9 6.8 33.8 55 73 A Q T 3 S+ 0 0 175 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.454 109.0 116.7 68.5 4.7 16.7 9.4 34.0 56 74 A L S < S- 0 0 68 -3,-2.2 -1,-0.2 1,-0.1 -3,-0.0 -0.652 73.6-101.2 -97.5 157.7 14.4 12.2 32.9 57 75 A S > - 0 0 77 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.324 40.9-105.4 -64.0 158.9 13.4 15.3 34.9 58 76 A V H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.908 122.0 45.9 -54.2 -45.2 9.9 15.1 36.5 59 77 A K H > S+ 0 0 177 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 113.2 48.9 -66.9 -40.9 8.4 17.5 33.9 60 78 A A H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.900 109.8 53.0 -65.2 -41.5 10.1 15.7 31.0 61 79 A A H X S+ 0 0 23 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.919 111.0 46.0 -57.6 -47.5 8.8 12.3 32.3 62 80 A Q H X S+ 0 0 97 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.923 112.1 52.2 -64.2 -42.6 5.2 13.5 32.5 63 81 A A H X S+ 0 0 44 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.901 109.7 46.8 -58.7 -48.3 5.5 15.1 29.0 64 82 A I H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.892 111.0 51.5 -66.8 -37.7 6.7 11.9 27.3 65 83 A Y H X S+ 0 0 11 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.921 107.5 54.8 -64.4 -40.1 4.1 9.7 29.0 66 84 A G H X S+ 0 0 30 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.885 106.6 50.8 -53.8 -43.4 1.5 12.3 27.8 67 85 A R H < S+ 0 0 122 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.880 109.3 50.5 -66.3 -36.1 2.8 11.7 24.2 68 86 A L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.907 107.7 52.9 -63.1 -45.1 2.5 8.0 24.7 69 87 A E H 3< S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.767 105.0 58.6 -58.9 -26.1 -1.1 8.4 25.9 70 88 A G T 3< S+ 0 0 63 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.566 82.7 101.0 -84.2 -12.0 -1.7 10.4 22.7 71 89 A L S X S- 0 0 28 -3,-1.2 3,-2.3 -4,-0.5 2,-0.1 -0.351 96.7 -73.4 -66.4 157.4 -0.7 7.6 20.3 72 90 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 -0.321 121.5 6.5 -55.3 123.5 -3.6 5.7 18.7 73 91 A G T 3 S- 0 0 60 -3,-0.1 6,-0.2 -4,-0.1 7,-0.1 0.324 106.7-124.2 82.6 -5.8 -5.2 3.5 21.4 74 92 A G < - 0 0 15 -3,-2.3 2,-1.7 1,-0.1 -5,-0.1 -0.165 61.4 -19.2 71.0-159.6 -3.1 4.9 24.2 75 93 A V S S+ 0 0 10 4,-0.1 -1,-0.1 -6,-0.1 -30,-0.1 -0.603 94.4 124.0 -90.8 78.3 -0.9 3.0 26.6 76 94 A V > - 0 0 76 -2,-1.7 4,-2.8 1,-0.1 5,-0.2 -0.982 67.8-119.6-139.3 135.7 -2.5 -0.4 26.1 77 95 A P H > S+ 0 0 26 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.893 109.2 42.6 -50.3 -51.9 -0.5 -3.5 25.1 78 96 A A H > S+ 0 0 58 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.889 115.9 50.1 -66.0 -38.0 -2.2 -4.3 21.7 79 97 A A H >4 S+ 0 0 17 1,-0.2 3,-1.4 -6,-0.2 4,-0.3 0.926 107.3 53.5 -66.0 -44.3 -2.3 -0.7 20.7 80 98 A L H >< S+ 0 0 4 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.792 102.4 58.9 -63.2 -30.6 1.4 -0.1 21.4 81 99 A L H 3< S+ 0 0 76 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.669 100.4 57.7 -68.8 -16.1 2.3 -3.1 19.2 82 100 A K T << S+ 0 0 181 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.2 0.506 90.1 88.0 -92.9 -5.6 0.6 -1.4 16.3 83 101 A V S < S- 0 0 17 -3,-0.9 2,-0.0 -4,-0.3 -12,-0.0 -0.758 84.5-116.7 -91.4 137.2 2.9 1.7 16.7 84 102 A S > - 0 0 52 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.344 16.5-120.2 -69.6 153.7 6.2 1.6 14.8 85 103 A G H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 117.7 58.2 -55.4 -36.9 9.5 1.6 16.6 86 104 A D H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 105.0 46.3 -61.5 -40.1 10.1 4.8 14.6 87 105 A D H > S+ 0 0 101 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.839 111.2 52.5 -75.6 -30.3 7.0 6.5 16.0 88 106 A L H ><>S+ 0 0 1 -4,-2.1 5,-1.3 2,-0.2 3,-1.0 0.915 110.6 47.4 -65.3 -43.0 8.0 5.4 19.6 89 107 A R H ><5S+ 0 0 100 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.917 105.6 64.3 -56.8 -39.0 11.4 6.9 19.0 90 108 A G H 3<5S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.668 92.6 58.1 -59.1 -24.1 9.4 9.9 17.7 91 109 A V T <<5S- 0 0 12 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.566 129.4 -93.3 -83.6 -9.4 7.8 10.6 21.1 92 110 A G T < 5S+ 0 0 50 -3,-2.1 2,-0.2 -4,-0.4 -3,-0.2 0.453 75.4 146.3 113.8 4.7 11.3 11.0 22.5 93 111 A L < - 0 0 0 -5,-1.3 -1,-0.3 -29,-0.1 -41,-0.1 -0.503 48.6-120.9 -74.9 136.9 12.2 7.5 23.8 94 112 A S > - 0 0 48 -2,-0.2 4,-2.6 -42,-0.1 5,-0.1 -0.310 31.4-108.2 -59.4 157.9 15.7 6.1 23.7 95 113 A W H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.893 121.6 57.3 -57.8 -39.3 16.1 2.9 21.7 96 114 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 109.2 44.3 -57.7 -47.8 16.6 1.0 25.0 97 115 A K H > S+ 0 0 21 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.894 110.1 55.4 -67.1 -37.5 13.2 2.3 26.3 98 116 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.938 110.0 46.6 -55.7 -47.0 11.5 1.5 22.9 99 117 A R H X S+ 0 0 171 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.910 113.7 48.2 -63.9 -45.9 12.7 -2.1 23.2 100 118 A T H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.949 113.2 46.7 -58.2 -53.5 11.6 -2.4 26.8 101 119 A V H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.903 115.0 46.8 -57.5 -45.2 8.1 -0.9 26.1 102 120 A Q H X S+ 0 0 66 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.894 113.0 49.8 -62.1 -39.0 7.7 -3.2 23.0 103 121 A A H X S+ 0 0 24 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.906 111.1 48.2 -68.6 -42.6 8.9 -6.2 25.0 104 122 A A H X S+ 0 0 2 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.909 113.0 48.3 -62.2 -45.3 6.4 -5.4 27.9 105 123 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.920 112.4 49.3 -59.6 -44.1 3.5 -5.0 25.4 106 124 A A H X S+ 0 0 40 -4,-2.5 4,-1.8 1,-0.2 6,-0.3 0.857 108.6 52.6 -65.3 -35.8 4.5 -8.2 23.7 107 125 A A H <>S+ 0 0 8 -4,-2.0 6,-1.9 2,-0.2 5,-1.2 0.851 109.9 50.1 -70.1 -34.0 4.6 -10.1 27.0 108 126 A A H ><5S+ 0 0 23 -4,-1.8 3,-1.1 4,-0.2 -2,-0.2 0.945 113.5 42.7 -65.7 -50.5 1.1 -8.8 27.8 109 127 A V H 3<5S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.796 114.7 50.8 -73.2 -24.2 -0.5 -9.9 24.5 110 128 A S T 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.469 112.2-117.6 -90.3 -3.6 1.3 -13.3 24.5 111 129 A G T < 5S+ 0 0 58 -3,-1.1 -3,-0.2 -4,-0.3 3,-0.2 0.489 80.1 123.5 79.2 5.5 0.2 -14.1 28.1 112 130 A Q S + 0 0 80 -2,-0.4 3,-1.8 1,-0.2 -6,-0.1 -0.726 16.3 177.7 -97.7 83.7 -0.8 -11.2 33.1 115 133 A F G > S+ 0 0 16 -2,-1.1 3,-0.6 1,-0.3 -1,-0.2 0.749 76.7 57.9 -62.8 -26.7 -0.8 -7.6 34.2 116 134 A A G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.674 110.3 44.0 -75.2 -17.3 -4.6 -7.7 35.1 117 135 A H G < S+ 0 0 126 -3,-1.8 3,-0.3 1,-0.1 -1,-0.2 -0.262 71.3 115.2-127.0 48.8 -4.0 -10.6 37.6 118 136 A L X + 0 0 13 -3,-0.6 3,-2.2 1,-0.2 -1,-0.1 0.727 56.4 83.7 -85.2 -22.7 -0.9 -9.6 39.6 119 137 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.670 93.1 44.7 -59.8 -26.7 -2.7 -9.2 43.0 120 138 A G T 3 S+ 0 0 66 -3,-0.3 -1,-0.3 2,-0.1 -116,-0.2 0.465 93.7 99.3 -95.5 -3.6 -2.5 -12.9 43.8 121 139 A Q S < S- 0 0 71 -3,-2.2 5,-0.1 -118,-0.1 -118,-0.0 -0.716 76.5-117.2 -91.7 130.3 1.1 -13.4 42.7 122 140 A P >> - 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0 0 42 142,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.566 22.6-166.4 -72.6 142.1 -5.0 -14.7 73.5 216 27 B T S S+ 0 0 133 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.539 80.6 13.9-100.5 -10.3 -7.8 -17.0 72.4 217 28 B D - 0 0 93 25,-0.1 4,-0.3 1,-0.0 -1,-0.3 -0.965 67.3-135.7-155.8 159.6 -5.4 -19.0 70.1 218 29 B H S > S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.422 74.3 99.5-100.5 1.0 -1.6 -19.2 69.8 219 30 B A H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 88.2 41.6 -58.5 -48.1 -1.0 -19.1 66.0 220 31 B G H > S+ 0 0 41 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 115.5 50.6 -67.4 -41.6 -0.1 -15.3 65.8 221 32 B A H > S+ 0 0 1 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.928 110.4 48.9 -60.2 -48.0 2.0 -15.5 68.9 222 33 B V H X S+ 0 0 39 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.874 110.5 51.4 -62.4 -39.8 4.0 -18.5 67.7 223 34 B A H < S+ 0 0 63 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.913 113.2 44.8 -63.8 -42.5 4.6 -16.9 64.3 224 35 B H H >< S+ 0 0 36 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.950 114.7 47.3 -67.4 -47.3 5.9 -13.7 66.0 225 36 B L H >< S+ 0 0 1 -4,-2.8 3,-2.1 1,-0.3 7,-0.3 0.889 103.2 64.4 -60.9 -35.0 8.1 -15.7 68.5 226 37 B S T 3< S+ 0 0 40 -4,-2.6 -1,-0.3 1,-0.3 6,-0.2 0.558 79.3 80.4 -70.9 -7.8 9.4 -17.8 65.6 227 38 B R T < S+ 0 0 83 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.780 83.6 72.1 -63.2 -26.7 11.0 -14.7 64.1 228 39 B D S <> S- 0 0 8 -3,-2.1 4,-2.5 -4,-0.3 5,-0.2 -0.821 86.6-144.8 -84.5 113.7 13.7 -15.5 66.8 229 40 B P H > S+ 0 0 89 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.750 96.9 58.2 -56.5 -23.6 15.5 -18.6 65.5 230 41 B V H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.958 111.1 40.4 -68.6 -52.3 15.9 -20.0 69.1 231 42 B L H > S+ 0 0 0 -6,-0.3 4,-2.9 2,-0.2 5,-0.3 0.804 107.1 63.2 -67.6 -28.1 12.1 -19.9 69.7 232 43 B A H X S+ 0 0 35 -4,-2.5 4,-1.6 -7,-0.3 -1,-0.2 0.947 113.4 37.5 -54.0 -45.6 11.4 -21.2 66.2 233 44 B Q H X S+ 0 0 99 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.915 116.9 49.9 -71.7 -48.2 13.3 -24.3 67.4 234 45 B V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.913 111.4 48.4 -59.6 -43.6 12.0 -24.3 70.9 235 46 B T H X S+ 0 0 11 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.920 113.4 47.2 -67.4 -40.0 8.3 -24.0 69.9 236 47 B S H < S+ 0 0 90 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.939 115.3 46.1 -65.8 -42.1 8.7 -26.9 67.3 237 48 B L H < S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.829 119.7 39.3 -66.5 -35.1 10.5 -29.1 69.8 238 49 B C H < S- 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.680 96.5-158.9 -91.9 -18.8 8.0 -28.4 72.6 239 50 B G < - 0 0 32 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 -0.317 43.4 -8.3 74.1-158.9 4.8 -28.4 70.5 240 51 B E - 0 0 191 -4,-0.1 -4,-0.0 -2,-0.1 -5,-0.0 -0.449 57.1-155.9 -78.8 144.9 1.5 -26.8 71.4 241 52 B L - 0 0 30 -2,-0.2 -23,-0.1 1,-0.0 158,-0.0 -0.910 32.1 -94.6-116.6 146.4 0.7 -25.3 74.8 242 53 B P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 -25,-0.1 -0.300 38.0-114.1 -60.3 144.0 -2.8 -24.9 76.2 243 54 B V - 0 0 68 -27,-0.1 2,-0.2 1,-0.0 -27,-0.0 -0.672 31.7-137.4 -78.9 121.6 -4.5 -21.6 75.7 244 55 B L - 0 0 46 -2,-0.5 -29,-0.1 113,-0.1 111,-0.1 -0.607 11.2-150.2 -85.1 145.1 -5.0 -19.8 79.1 245 56 B A - 0 0 72 -2,-0.2 112,-0.2 109,-0.2 2,-0.2 -0.898 25.2-106.3-115.9 138.0 -8.3 -18.1 79.9 246 57 B P - 0 0 60 0, 0.0 110,-0.3 0, 0.0 109,-0.1 -0.456 38.2-118.6 -65.5 130.4 -8.6 -15.1 82.2 247 58 B T - 0 0 18 108,-3.0 79,-0.1 -2,-0.2 108,-0.0 -0.458 11.3-155.6 -68.2 135.7 -10.1 -16.0 85.6 248 59 B P S S+ 0 0 133 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.547 92.5 60.7 -80.4 -5.4 -13.4 -14.3 86.6 249 60 B D > + 0 0 73 1,-0.2 4,-2.7 106,-0.1 5,-0.2 -0.590 57.2 159.0-121.0 67.7 -12.3 -15.0 90.2 250 61 B P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.902 76.9 51.9 -56.6 -40.6 -9.0 -13.2 90.8 251 62 B F H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 112.9 44.2 -60.9 -53.5 -9.5 -13.2 94.6 252 63 B G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 113.3 50.8 -56.1 -43.9 -10.1 -17.0 94.7 253 64 B R H X S+ 0 0 86 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.876 110.3 50.2 -67.6 -32.8 -7.2 -17.8 92.3 254 65 B L H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.943 110.8 48.0 -66.9 -47.7 -4.8 -15.7 94.4 255 66 B V H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.901 111.5 52.5 -60.5 -37.9 -5.9 -17.5 97.6 256 67 B R H X S+ 0 0 87 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.932 110.6 45.9 -60.3 -48.8 -5.4 -20.7 95.7 257 68 B S H X S+ 0 0 48 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.919 115.4 47.0 -60.0 -48.0 -1.9 -19.8 94.6 258 69 B V H >< S+ 0 0 4 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.952 113.4 47.5 -59.1 -50.7 -0.9 -18.6 98.1 259 70 B A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.4 50.1 -63.6 -34.0 -2.3 -21.7 99.8 260 71 B G H >< S+ 0 0 17 -4,-1.8 3,-2.1 -5,-0.2 -1,-0.2 0.529 78.1 127.8 -82.5 -7.7 -0.6 -24.1 97.4 261 72 B Q T << S- 0 0 44 -3,-1.1 3,-0.1 -4,-0.7 43,-0.1 -0.273 84.8 -2.1 -61.6 129.3 2.9 -22.6 97.6 262 73 B Q T 3 S+ 0 0 171 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.495 109.4 114.7 68.2 8.3 5.6 -25.3 98.5 263 74 B L S < S- 0 0 72 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.0 -0.691 74.4 -99.7-100.9 157.6 2.9 -28.0 98.7 264 75 B S > - 0 0 73 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.333 39.9-105.5 -64.9 158.8 2.5 -31.0 96.4 265 76 B V H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.924 122.2 47.6 -54.5 -45.4 -0.2 -30.7 93.8 266 77 B K H > S+ 0 0 187 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 112.7 47.6 -61.9 -43.5 -2.5 -33.1 95.8 267 78 B A H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.866 109.5 53.7 -68.4 -38.5 -1.9 -31.2 99.0 268 79 B A H X S+ 0 0 23 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.914 110.4 46.5 -62.5 -42.7 -2.5 -27.8 97.4 269 80 B Q H X S+ 0 0 94 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.912 113.1 49.5 -68.3 -41.5 -5.9 -28.9 96.0 270 81 B A H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.897 110.5 48.7 -64.8 -44.2 -6.9 -30.5 99.3 271 82 B I H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.909 111.5 50.6 -64.3 -37.9 -6.1 -27.4 101.4 272 83 B Y H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 107.8 52.7 -65.9 -40.2 -8.0 -25.2 98.9 273 84 B G H X S+ 0 0 29 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.891 107.2 53.9 -58.1 -41.0 -11.0 -27.5 99.2 274 85 B R H < S+ 0 0 120 -4,-2.1 4,-0.4 2,-0.2 3,-0.3 0.904 107.5 48.9 -59.2 -42.6 -10.8 -27.1 103.0 275 86 B L H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.910 108.1 54.8 -62.5 -42.3 -10.9 -23.3 102.6 276 87 B E H 3< S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.789 102.9 59.1 -58.7 -28.8 -13.9 -23.7 100.2 277 88 B G T 3< S+ 0 0 67 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.525 82.1 101.7 -82.0 -10.0 -15.6 -25.6 103.1 278 89 B L S X S- 0 0 28 -3,-1.3 3,-2.3 -4,-0.4 2,-0.2 -0.380 97.3 -74.5 -67.8 158.7 -15.4 -22.8 105.6 279 90 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 -0.367 122.8 6.7 -59.9 120.5 -18.7 -20.8 106.1 280 91 B G T 3 S- 0 0 59 -2,-0.2 6,-0.2 -4,-0.1 7,-0.2 0.276 106.5-128.6 88.5 -10.8 -19.2 -18.6 103.0 281 92 B G < - 0 0 13 -3,-2.3 2,-2.0 1,-0.1 -5,-0.2 -0.140 62.6 -16.0 69.0-161.8 -16.2 -20.2 101.1 282 93 B V S S+ 0 0 14 4,-0.1 -1,-0.1 -10,-0.1 -30,-0.1 -0.517 95.4 123.1 -80.9 76.5 -13.4 -18.3 99.5 283 94 B V >> - 0 0 78 -2,-2.0 4,-2.8 1,-0.1 3,-0.7 -0.995 66.9-124.1-138.9 130.0 -15.1 -14.9 99.4 284 95 B P H 3> S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.893 108.7 46.1 -46.9 -52.3 -13.5 -11.8 101.1 285 96 B A H 34 S+ 0 0 60 1,-0.2 4,-0.4 2,-0.2 -3,-0.0 0.786 116.6 46.7 -64.2 -30.0 -16.4 -10.9 103.4 286 97 B A H X4 S+ 0 0 15 -3,-0.7 3,-1.3 -6,-0.2 4,-0.3 0.920 111.3 49.7 -75.4 -47.6 -16.8 -14.5 104.5 287 98 B L H >< S+ 0 0 4 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.858 101.3 64.6 -62.7 -33.4 -13.0 -15.1 105.1 288 99 B L T 3< S+ 0 0 97 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.773 101.1 52.6 -57.7 -27.6 -12.9 -11.9 107.2 289 100 B K T < S+ 0 0 180 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.3 0.482 90.0 92.7 -91.3 -2.6 -15.3 -13.7 109.7 290 101 B V S < S- 0 0 14 -3,-1.7 2,-0.1 -4,-0.3 -12,-0.0 -0.737 79.0-121.5 -90.2 139.4 -13.0 -16.8 110.0 291 102 B S > - 0 0 52 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.383 17.7-116.5 -77.8 160.4 -10.5 -16.7 112.9 292 103 B G H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.885 118.0 58.5 -60.2 -35.9 -6.7 -17.0 112.4 293 104 B D H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 105.4 45.2 -58.9 -43.7 -7.1 -20.2 114.4 294 105 B D H > S+ 0 0 100 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.822 112.9 50.8 -73.7 -32.3 -9.5 -21.8 112.0 295 106 B L H ><>S+ 0 0 1 -4,-2.0 5,-1.2 2,-0.2 3,-0.9 0.934 111.6 48.0 -66.9 -46.2 -7.5 -20.7 109.0 296 107 B R H ><5S+ 0 0 102 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.922 105.4 62.3 -52.6 -42.5 -4.4 -22.3 110.7 297 108 B G H 3<5S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.676 91.9 61.5 -64.4 -20.2 -6.6 -25.3 111.4 298 109 B V T <<5S- 0 0 15 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.566 130.3 -95.5 -79.6 -8.8 -7.2 -26.1 107.7 299 110 B G T < 5S+ 0 0 51 -3,-2.2 2,-0.2 -4,-0.3 -2,-0.2 0.507 73.6 148.7 114.7 10.2 -3.3 -26.5 107.6 300 111 B L < - 0 0 0 -5,-1.2 -1,-0.3 -4,-0.1 -41,-0.1 -0.513 48.3-117.7 -79.1 139.8 -2.0 -23.1 106.5 301 112 B S > - 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