==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAY-04 1WEF . COMPND 2 MOLECULE: A/G-SPECIFIC ADENINE GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.HITOMI,A.S.ARVAI,J.A.TAINER . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 2 1 0 1 0 1 1 1 0 3 1 1 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 1 A M 0 0 65 0, 0.0 5,-0.1 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 146.6 32.0 7.1 -0.2 2 2 A Q > - 0 0 138 1,-0.1 4,-2.1 3,-0.1 3,-0.2 -0.134 360.0-116.6 -55.5 153.5 31.0 3.8 -1.9 3 3 A A H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.854 117.3 56.8 -61.3 -34.9 28.2 1.9 -0.4 4 4 A S H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.876 108.1 46.2 -64.5 -38.0 30.7 -1.0 0.3 5 5 A Q H > S+ 0 0 85 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.863 108.3 58.4 -71.8 -36.2 32.9 1.4 2.3 6 6 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.970 110.4 39.7 -57.0 -58.6 29.9 2.7 4.1 7 7 A S H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.865 115.9 52.7 -62.2 -36.6 28.8 -0.6 5.5 8 8 A A H X S+ 0 0 36 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 110.7 46.0 -66.3 -43.3 32.4 -1.7 6.2 9 9 A Q H X S+ 0 0 40 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.884 113.7 49.6 -67.2 -37.6 33.2 1.5 8.2 10 10 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.910 112.9 46.4 -67.7 -42.1 29.9 1.1 10.2 11 11 A L H X S+ 0 0 32 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.875 110.8 51.7 -68.8 -37.4 30.6 -2.5 11.0 12 12 A D H X S+ 0 0 115 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.907 111.5 48.9 -64.1 -40.3 34.3 -1.8 12.0 13 13 A W H X>S+ 0 0 36 -4,-1.9 4,-2.9 1,-0.2 5,-0.5 0.927 109.7 51.4 -63.1 -46.7 33.0 0.9 14.3 14 14 A Y H X5S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.856 105.8 54.8 -61.5 -36.7 30.3 -1.4 15.8 15 15 A D H <5S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.8 37.6 -65.4 -35.1 32.9 -4.1 16.6 16 16 A K H <5S+ 0 0 153 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.851 136.8 14.8 -85.1 -38.8 35.0 -1.6 18.5 17 17 A Y H <5S+ 0 0 144 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.497 89.0 127.5-116.1 -7.7 32.3 0.5 20.2 18 18 A G << - 0 0 30 -4,-2.0 2,-0.5 -5,-0.5 165,-0.0 -0.253 38.8-164.6 -56.4 133.7 29.2 -1.6 19.8 19 19 A R + 0 0 166 1,-0.0 2,-0.7 2,-0.0 3,-0.3 -0.904 14.3 173.0-124.9 100.8 27.3 -2.2 23.1 20 20 A A + 0 0 53 -2,-0.5 -2,-0.1 1,-0.2 -1,-0.0 -0.553 37.3 121.5-106.1 66.3 24.8 -5.0 22.9 21 21 A T + 0 0 107 -2,-0.7 -1,-0.2 5,-0.0 5,-0.1 0.685 36.3 111.3 -99.4 -23.8 23.8 -5.3 26.5 22 22 A L S > S- 0 0 40 -3,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.152 77.3-116.7 -54.4 146.0 20.1 -4.6 26.3 23 23 A P G > S+ 0 0 23 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.818 114.8 53.3 -53.2 -37.9 17.7 -7.6 27.1 24 24 A W G 3 S+ 0 0 9 1,-0.2 5,-0.2 4,-0.1 -2,-0.1 0.432 105.0 55.8 -81.3 1.7 16.3 -7.6 23.6 25 25 A Q G < S+ 0 0 21 -3,-2.1 2,-0.5 3,-0.1 3,-0.3 0.404 94.8 80.8-108.5 -3.9 19.8 -7.8 22.2 26 26 A I S < S- 0 0 79 -3,-0.9 3,-0.1 -4,-0.4 -5,-0.0 -0.909 110.8 -7.7-108.2 129.1 20.6 -11.0 24.2 27 27 A D S S- 0 0 132 -2,-0.5 -1,-0.2 1,-0.1 5,-0.1 0.946 93.7-151.6 51.1 52.9 19.4 -14.4 23.0 28 28 A K + 0 0 80 -3,-0.3 -1,-0.1 100,-0.1 -3,-0.1 -0.184 25.3 171.9 -59.5 144.2 17.4 -12.7 20.3 29 29 A T > - 0 0 54 -5,-0.2 4,-2.4 -3,-0.1 5,-0.3 -0.954 47.3-106.8-145.6 154.5 14.2 -14.2 18.9 30 30 A P H > S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.913 121.2 53.3 -51.5 -43.6 11.6 -12.6 16.5 31 31 A Y H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 110.2 45.8 -57.3 -48.7 9.2 -12.3 19.5 32 32 A K H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 114.3 46.5 -65.7 -39.9 11.7 -10.4 21.6 33 33 A V H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.924 113.8 49.4 -69.1 -42.9 12.9 -8.1 18.9 34 34 A W H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.3 5,-0.2 0.958 111.0 48.8 -58.7 -53.2 9.3 -7.3 17.9 35 35 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.917 114.8 45.8 -54.2 -46.0 8.2 -6.6 21.5 36 36 A S H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.888 109.5 53.4 -66.7 -41.2 11.2 -4.3 22.0 37 37 A E H X S+ 0 0 28 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.912 109.9 48.1 -61.9 -42.1 10.7 -2.4 18.7 38 38 A V H < S+ 0 0 5 -4,-2.3 4,-0.4 -5,-0.2 3,-0.4 0.912 114.1 46.1 -65.6 -41.9 7.1 -1.6 19.5 39 39 A M H < S+ 0 0 0 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.889 113.9 49.0 -66.6 -39.7 8.0 -0.4 23.1 40 40 A L H < S+ 0 0 47 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.610 87.0 91.3 -75.4 -14.9 10.9 1.6 21.8 41 41 A Q S < S+ 0 0 83 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 0.884 111.6 0.8 -48.0 -52.0 8.9 3.3 19.0 42 42 A Q S S+ 0 0 104 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.2 0.034 120.1 81.2-130.4 26.6 7.7 6.3 21.0 43 43 A T S S- 0 0 21 -3,-0.4 37,-0.1 -4,-0.2 5,-0.1 -0.997 80.8-105.2-138.0 140.3 9.4 5.7 24.4 44 44 A Q >> - 0 0 151 -2,-0.4 4,-1.9 1,-0.1 3,-0.6 -0.321 29.4-124.4 -62.3 139.9 12.9 6.3 25.7 45 45 A V H 3> S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.868 109.1 57.7 -53.1 -44.0 15.1 3.2 26.1 46 46 A A H 34 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.895 109.9 45.3 -55.9 -40.7 15.8 3.8 29.8 47 47 A T H <> S+ 0 0 56 -3,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.866 111.4 53.8 -71.1 -36.5 12.1 3.8 30.5 48 48 A V H >X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 3,-0.9 0.882 87.8 77.1 -67.1 -42.9 11.5 0.7 28.3 49 49 A I H 3X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.3 5,-0.2 0.831 96.1 44.8 -39.1 -56.2 14.0 -1.7 29.9 50 50 A P H 3> S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.868 114.6 49.9 -61.7 -35.2 12.0 -2.6 33.1 51 51 A Y H S- 0 0 66 -3,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.887 84.4-111.6-130.3 161.3 6.0 -16.7 24.5 62 62 A V H > S+ 0 0 5 -2,-0.3 4,-2.7 40,-0.3 35,-0.2 0.815 117.5 58.9 -60.4 -31.2 3.7 -14.9 22.0 63 63 A T H > S+ 0 0 47 39,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.891 102.4 52.2 -67.5 -37.4 1.0 -17.4 22.8 64 64 A D H > S+ 0 0 64 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.906 112.0 47.0 -62.8 -40.5 1.0 -16.4 26.5 65 65 A L H < S+ 0 0 0 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.924 111.5 51.2 -65.8 -45.1 0.6 -12.8 25.4 66 66 A A H < S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.906 110.0 48.7 -59.1 -45.1 -2.2 -13.7 23.0 67 67 A N H < S+ 0 0 129 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.682 91.4 97.8 -72.4 -18.2 -4.2 -15.6 25.6 68 68 A A S < S- 0 0 6 -4,-1.0 2,-0.1 -3,-0.5 -9,-0.0 -0.349 87.3 -97.5 -72.0 151.6 -4.0 -12.9 28.2 69 69 A P >> - 0 0 83 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.428 28.0-125.4 -66.5 142.2 -6.9 -10.5 28.7 70 70 A L H 3> S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 109.5 60.4 -56.5 -37.3 -6.4 -7.2 26.9 71 71 A D H 3> S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 102.7 49.9 -61.4 -35.2 -7.0 -5.3 30.2 72 72 A E H <> S+ 0 0 69 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.901 110.8 50.3 -69.7 -39.4 -4.0 -7.0 31.8 73 73 A V H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.938 112.0 47.0 -61.9 -47.0 -1.8 -6.1 28.9 74 74 A L H X S+ 0 0 28 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.862 110.4 53.6 -63.4 -36.2 -2.9 -2.5 29.1 75 75 A H H >< S+ 0 0 137 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.914 109.8 46.5 -65.9 -41.6 -2.3 -2.5 32.8 76 76 A L H 3< S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.742 108.7 57.4 -71.6 -21.7 1.2 -3.7 32.4 77 77 A W H >< S+ 0 0 0 -4,-1.3 3,-2.7 -5,-0.2 4,-0.4 0.686 76.2 126.8 -80.4 -20.2 1.7 -1.1 29.7 78 78 A T T << S+ 0 0 77 -4,-0.9 -3,-0.1 -3,-0.6 -4,-0.0 -0.124 71.8 27.7 -44.3 115.8 0.8 1.7 32.1 79 79 A G T 3 S+ 0 0 47 -28,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.115 98.6 85.7 116.6 -21.0 3.6 4.2 32.0 80 80 A L S < S- 0 0 7 -3,-2.7 -2,-0.1 1,-0.1 -38,-0.1 0.712 80.6-150.6 -83.9 -21.2 4.8 3.6 28.4 81 81 A G + 0 0 25 -4,-0.4 4,-0.1 -38,-0.1 -1,-0.1 -0.029 65.5 72.6 75.0 175.0 2.3 6.0 26.8 82 82 A Y > - 0 0 148 1,-0.1 3,-1.8 2,-0.1 4,-0.4 0.918 57.9-172.2 42.6 64.7 0.8 5.7 23.3 83 83 A Y T 3> S+ 0 0 89 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.562 70.0 83.0 -63.9 -11.6 -1.4 2.8 24.2 84 84 A A H 3> S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.864 89.3 58.0 -60.3 -31.4 -2.5 2.2 20.6 85 85 A R H <> S+ 0 0 12 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.882 103.9 49.7 -62.7 -41.2 0.7 0.3 20.4 86 86 A A H > S+ 0 0 0 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.867 109.7 50.6 -67.0 -39.1 -0.4 -2.0 23.2 87 87 A R H X S+ 0 0 124 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 113.8 44.1 -66.9 -41.0 -3.7 -2.7 21.5 88 88 A N H X S+ 0 0 53 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.846 110.0 57.6 -70.4 -34.3 -2.0 -3.5 18.2 89 89 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 109.1 44.5 -60.2 -47.6 0.6 -5.6 20.0 90 90 A H H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.908 113.4 49.7 -65.5 -42.4 -2.1 -7.8 21.5 91 91 A K H X S+ 0 0 120 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.908 110.9 50.7 -62.4 -41.5 -4.0 -8.1 18.2 92 92 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.900 108.8 51.5 -62.5 -41.9 -0.7 -9.1 16.5 93 93 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -27,-0.2 0.938 110.7 48.4 -60.9 -45.4 -0.0 -11.7 19.2 94 94 A Q H X S+ 0 0 84 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.864 110.1 52.2 -62.8 -36.0 -3.5 -13.1 18.6 95 95 A Q H X>S+ 0 0 51 -4,-2.2 4,-3.6 2,-0.2 5,-0.6 0.914 108.8 50.0 -66.4 -42.9 -2.9 -13.2 14.9 96 96 A V H X5S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 6,-1.7 0.924 113.6 45.8 -60.8 -44.3 0.3 -15.1 15.4 97 97 A A H <5S+ 0 0 34 -4,-2.4 4,-0.4 4,-0.2 -2,-0.2 0.903 120.5 39.6 -65.2 -41.8 -1.5 -17.6 17.6 98 98 A T H <5S+ 0 0 113 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.915 130.0 23.6 -75.6 -46.8 -4.4 -17.9 15.2 99 99 A L H <5S+ 0 0 114 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.689 128.9 37.5 -97.0 -21.5 -2.6 -17.9 11.8 100 100 A H S >< S- 0 0 74 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.940 77.5-128.0-116.7 137.8 8.9 -14.2 6.5 108 108 A F H > S+ 0 0 43 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.892 104.7 51.2 -50.6 -53.6 8.6 -10.5 5.6 109 109 A E H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.927 112.3 46.5 -52.0 -50.9 5.1 -10.5 4.2 110 110 A E H 4 S+ 0 0 73 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.850 115.1 46.1 -62.8 -37.2 3.7 -12.3 7.3 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.950 112.4 48.7 -70.9 -49.8 5.5 -10.0 9.7 112 112 A A H 3< S+ 0 0 32 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.733 102.5 65.4 -62.3 -22.3 4.6 -6.8 7.9 113 113 A A T 3< S+ 0 0 65 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.696 81.6 103.4 -73.3 -18.9 1.0 -8.0 7.8 114 114 A L S X S- 0 0 5 -3,-1.7 3,-1.7 -4,-0.4 -22,-0.1 -0.343 85.5-100.2 -67.4 143.7 0.8 -7.8 11.6 115 115 A P T 3 S+ 0 0 35 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.371 108.3 17.4 -62.7 139.8 -1.1 -4.9 13.2 116 116 A G T 3 S+ 0 0 37 1,-0.2 2,-0.5 -3,-0.1 -27,-0.1 0.454 102.4 110.1 77.9 -0.1 1.3 -2.2 14.4 117 117 A V < - 0 0 12 -3,-1.7 -1,-0.2 -5,-0.2 2,-0.1 -0.938 44.8-179.0-114.7 117.9 4.2 -3.5 12.3 118 118 A G > - 0 0 37 -2,-0.5 4,-2.6 -3,-0.1 5,-0.2 -0.312 45.9 -81.2-102.1-172.0 5.4 -1.5 9.3 119 119 A R H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 127.3 43.0 -57.7 -46.3 8.0 -2.0 6.6 120 120 A S H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 115.0 48.7 -67.7 -48.2 10.9 -0.9 8.7 121 121 A T H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.887 110.2 51.6 -59.8 -40.6 9.8 -2.7 11.9 122 122 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.918 111.5 48.2 -62.6 -41.9 9.3 -6.0 10.0 123 123 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.877 111.3 50.3 -65.3 -38.0 12.8 -5.6 8.5 124 124 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 5,-0.4 0.913 108.8 52.3 -66.7 -44.2 14.2 -4.9 12.0 125 125 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-0.3 0.957 117.4 36.6 -56.3 -53.7 12.6 -7.9 13.5 126 126 A L H X>S+ 0 0 0 -4,-2.1 6,-2.0 2,-0.2 4,-1.7 0.862 119.7 46.2 -71.6 -38.1 13.9 -10.4 10.9 127 127 A S H X5S+ 0 0 0 -4,-2.5 4,-1.3 4,-0.3 -3,-0.2 0.948 117.2 42.5 -70.9 -47.7 17.3 -8.8 10.3 128 128 A L H <5S+ 0 0 6 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.889 124.4 33.8 -66.7 -41.6 18.2 -8.4 14.0 129 129 A S H <5S+ 0 0 19 -4,-1.8 -3,-0.2 -5,-0.4 -1,-0.2 0.785 137.4 15.5 -88.4 -28.1 16.8 -11.8 15.2 130 130 A L H <5S- 0 0 67 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.486 96.4-114.3-123.7 -6.9 17.6 -14.1 12.3 131 131 A G << + 0 0 11 -4,-1.3 -4,-0.3 -5,-0.5 46,-0.2 0.756 52.8 169.7 77.6 22.9 20.1 -12.2 10.1 132 132 A K - 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