==== 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 1WEG . 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) . 11045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 65.8 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 . 6 2.7 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 . 108 48.0 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 55 0, 0.0 206,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 120.8 31.3 7.3 0.2 2 2 A Q > - 0 0 59 1,-0.1 4,-2.2 4,-0.0 3,-0.2 -0.215 360.0-111.4 -64.9 159.4 30.5 4.1 -1.7 3 3 A A H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.897 117.0 55.0 -59.1 -44.2 28.0 1.6 -0.2 4 4 A S H > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.866 110.2 46.3 -59.5 -37.4 30.6 -1.0 0.5 5 5 A Q H > S+ 0 0 73 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 109.7 56.1 -71.1 -40.7 32.7 1.6 2.5 6 6 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.950 112.5 38.3 -56.1 -56.5 29.5 2.7 4.4 7 7 A S H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.903 115.0 54.9 -65.4 -39.7 28.6 -0.7 5.7 8 8 A A H X S+ 0 0 42 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.906 110.8 44.7 -60.0 -43.5 32.2 -1.7 6.4 9 9 A Q H X S+ 0 0 42 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.861 113.9 49.7 -70.5 -34.9 32.8 1.4 8.5 10 10 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.923 111.7 48.4 -68.9 -43.1 29.5 1.0 10.4 11 11 A L H X S+ 0 0 24 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.913 111.1 49.5 -64.3 -42.1 30.3 -2.7 11.1 12 12 A D H X S+ 0 0 105 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.913 112.6 49.3 -62.5 -40.9 33.8 -1.9 12.4 13 13 A W H X>S+ 0 0 33 -4,-1.9 4,-2.6 1,-0.2 5,-0.8 0.958 109.9 49.9 -61.8 -50.4 32.3 0.8 14.6 14 14 A Y H X5S+ 0 0 12 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.899 106.3 56.9 -56.3 -42.4 29.7 -1.5 16.0 15 15 A D H <5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.906 117.2 32.9 -55.7 -44.8 32.3 -4.2 16.8 16 16 A K H <5S+ 0 0 154 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.730 140.2 10.3 -87.3 -25.2 34.3 -1.8 18.9 17 17 A Y H <5S+ 0 0 154 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.619 90.9 115.8-127.2 -25.5 31.5 0.4 20.4 18 18 A G << - 0 0 7 -4,-1.0 2,-0.4 -5,-0.8 165,-0.1 -0.168 65.9-118.2 -55.8 139.5 28.1 -1.0 19.7 19 19 A R + 0 0 115 1,-0.1 -1,-0.1 163,-0.1 167,-0.1 -0.660 40.8 162.2 -79.6 127.0 25.9 -2.3 22.5 20 20 A K + 0 0 91 -2,-0.4 -1,-0.1 1,-0.0 -2,-0.1 0.205 57.6 72.7-129.4 12.5 25.3 -6.0 22.2 21 21 A T + 0 0 89 5,-0.1 5,-0.1 3,-0.0 -1,-0.0 0.316 56.8 126.0-115.5 10.1 24.1 -6.9 25.7 22 22 A L S >> S- 0 0 20 1,-0.1 3,-2.3 2,-0.1 4,-0.7 -0.261 75.2-104.3 -63.4 157.6 20.6 -5.4 26.0 23 23 A P G >4 S+ 0 0 33 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.827 121.8 52.2 -52.5 -37.3 17.9 -7.9 27.1 24 24 A W G 34 S+ 0 0 9 1,-0.2 5,-0.2 8,-0.1 -2,-0.1 0.286 104.8 58.3 -85.3 11.6 16.5 -8.2 23.6 25 25 A Q G X4 S+ 0 0 24 -3,-2.3 3,-0.6 3,-0.1 2,-0.5 0.521 87.0 86.0-112.2 -14.5 19.9 -8.9 22.2 26 26 A I T << S- 0 0 89 -4,-0.7 3,-0.1 -3,-0.6 -5,-0.1 -0.780 112.9 -11.0 -91.2 129.3 20.6 -12.0 24.3 27 27 A D T 3 S- 0 0 131 -2,-0.5 -1,-0.3 1,-0.1 5,-0.1 0.943 94.8-151.2 45.5 56.2 19.2 -15.2 22.8 28 28 A K < + 0 0 79 -3,-0.6 -1,-0.1 100,-0.1 -3,-0.1 -0.204 23.3 174.6 -59.5 147.4 17.3 -13.2 20.3 29 29 A T > - 0 0 56 -5,-0.2 4,-2.5 -3,-0.1 5,-0.3 -0.952 46.1-106.7-147.1 157.3 14.0 -14.5 18.8 30 30 A P H > S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.896 120.0 55.1 -55.9 -38.0 11.4 -12.8 16.5 31 31 A Y H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 110.5 42.8 -61.6 -47.3 9.1 -12.5 19.5 32 32 A K H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 114.9 49.5 -68.2 -40.1 11.6 -10.6 21.7 33 33 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.926 113.3 47.7 -64.2 -42.3 12.8 -8.4 18.8 34 34 A W H X S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.957 112.0 48.6 -61.6 -52.8 9.2 -7.6 18.0 35 35 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.908 115.2 44.9 -55.6 -45.2 8.2 -6.8 21.6 36 36 A S H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.902 110.1 54.2 -68.6 -40.3 11.3 -4.5 22.1 37 37 A E H X S+ 0 0 18 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.922 109.5 48.2 -60.1 -43.8 10.8 -2.8 18.7 38 38 A V H < S+ 0 0 5 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.902 113.7 46.3 -63.7 -42.6 7.2 -1.8 19.6 39 39 A M H X S+ 0 0 0 -4,-1.9 4,-0.5 -5,-0.2 3,-0.5 0.860 112.8 51.3 -68.0 -34.2 8.2 -0.6 23.1 40 40 A L H < S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.662 87.9 83.7 -78.0 -16.1 11.1 1.4 21.6 41 41 A Q T < S+ 0 0 87 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.867 113.6 9.3 -54.8 -43.4 9.1 3.1 18.9 42 42 A Q T 4 S+ 0 0 108 -4,-0.5 2,-0.3 -3,-0.5 -1,-0.2 0.313 121.3 73.0-121.4 7.1 7.9 5.9 21.2 43 43 A T S < S- 0 0 24 -4,-0.5 2,-0.1 38,-0.0 37,-0.0 -0.958 77.1-109.9-133.2 146.3 10.0 5.4 24.3 44 44 A Q >> - 0 0 114 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.408 31.9-120.5 -68.5 140.3 13.6 5.8 25.5 45 45 A V H 3> S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.829 109.8 57.9 -49.0 -43.6 15.6 2.6 26.1 46 46 A A H 34 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.901 111.2 42.5 -57.3 -42.2 16.3 3.4 29.8 47 47 A T H <> S+ 0 0 68 -3,-0.8 4,-0.7 1,-0.2 -1,-0.2 0.877 113.1 54.9 -71.4 -38.2 12.6 3.5 30.5 48 48 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.828 88.7 74.6 -65.5 -38.5 11.9 0.5 28.3 49 49 A I H X S+ 0 0 46 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.860 96.6 46.2 -46.9 -51.5 14.2 -2.1 29.9 50 50 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.890 114.7 48.4 -61.9 -39.0 12.2 -2.7 33.1 51 51 A Y H X S+ 0 0 38 -4,-0.7 4,-2.8 -3,-0.4 -2,-0.2 0.898 109.7 51.6 -67.4 -41.5 9.0 -3.1 31.1 52 52 A F H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.945 111.6 47.6 -60.6 -46.7 10.6 -5.5 28.6 53 53 A E H X S+ 0 0 105 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.914 112.8 48.8 -61.2 -42.0 11.8 -7.6 31.5 54 54 A R H X S+ 0 0 112 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.888 112.8 47.8 -65.3 -39.7 8.4 -7.5 33.2 55 55 A F H X S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 -2,-0.2 0.933 110.9 49.8 -67.4 -45.8 6.7 -8.5 29.9 56 56 A M H < S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.832 112.2 49.2 -62.9 -31.9 9.0 -11.3 29.1 57 57 A A H < S+ 0 0 80 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.926 119.5 36.1 -73.0 -44.4 8.6 -12.7 32.6 58 58 A R H < S+ 0 0 96 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.857 129.8 34.7 -75.6 -35.5 4.8 -12.6 32.6 59 59 A F < + 0 0 0 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.704 63.9 168.9-123.2 78.2 4.6 -13.5 28.9 60 60 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.796 72.6 24.5 -57.8 -31.7 7.4 -16.0 28.0 61 61 A T S > S- 0 0 65 -3,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.902 83.9-110.3-133.4 163.5 5.8 -16.7 24.6 62 62 A V H > S+ 0 0 5 -2,-0.3 4,-2.6 40,-0.3 35,-0.2 0.845 117.2 58.2 -62.2 -32.4 3.5 -15.0 22.2 63 63 A T H > S+ 0 0 48 39,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.876 103.2 52.9 -66.6 -34.7 0.8 -17.5 23.0 64 64 A D H > S+ 0 0 65 -3,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.910 111.1 47.0 -64.8 -40.6 0.9 -16.5 26.6 65 65 A L H < S+ 0 0 0 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.906 112.1 50.9 -66.6 -41.2 0.5 -12.8 25.6 66 66 A A H < S+ 0 0 5 -4,-2.6 -2,-0.2 27,-0.2 -1,-0.2 0.924 110.2 47.5 -62.6 -46.8 -2.4 -13.7 23.2 67 67 A N H < S+ 0 0 128 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.682 92.3 100.0 -71.0 -17.5 -4.4 -15.7 25.8 68 68 A A S < S- 0 0 6 -4,-1.0 2,-0.1 -3,-0.3 -3,-0.0 -0.360 86.2-101.6 -70.8 148.4 -4.0 -12.9 28.4 69 69 A P >> - 0 0 81 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.475 27.0-125.1 -68.2 140.8 -6.9 -10.5 29.0 70 70 A L H 3> S+ 0 0 53 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.873 109.1 62.6 -54.0 -39.1 -6.3 -7.2 27.3 71 71 A D H 3> S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.848 102.5 49.9 -56.4 -35.9 -6.8 -5.4 30.6 72 72 A E H <> S+ 0 0 73 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.867 109.7 51.0 -71.0 -36.9 -3.8 -7.2 32.1 73 73 A V H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.936 112.0 46.4 -64.6 -47.3 -1.7 -6.2 29.1 74 74 A L H X S+ 0 0 25 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.869 109.9 54.5 -64.1 -36.9 -2.7 -2.5 29.4 75 75 A H H < S+ 0 0 139 -4,-1.9 3,-0.4 -5,-0.3 -1,-0.2 0.919 110.6 45.2 -64.0 -41.0 -2.1 -2.6 33.2 76 76 A L H < S+ 0 0 39 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.777 110.6 55.1 -73.5 -23.9 1.5 -3.9 32.6 77 77 A W H >< S+ 0 0 0 -4,-1.5 3,-2.3 -5,-0.1 4,-0.3 0.708 78.2 127.4 -79.3 -21.3 2.0 -1.3 29.8 78 78 A T T 3< S+ 0 0 78 -4,-1.2 -3,-0.1 -3,-0.4 -4,-0.0 -0.083 70.5 28.1 -43.0 118.1 1.0 1.6 32.2 79 79 A G T 3 S+ 0 0 49 -28,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.260 98.6 85.5 111.6 -11.9 3.7 4.2 32.1 80 80 A L S < S- 0 0 8 -3,-2.3 -2,-0.1 1,-0.1 -38,-0.1 0.612 80.1-152.1 -93.5 -16.2 5.0 3.5 28.6 81 81 A G + 0 0 26 -4,-0.3 -1,-0.1 2,-0.0 4,-0.1 0.051 64.7 76.6 68.8 176.5 2.4 5.8 27.0 82 82 A Y > - 0 0 151 1,-0.1 3,-1.6 2,-0.1 4,-0.4 0.935 56.5-173.7 45.3 63.8 1.0 5.5 23.4 83 83 A Y T 3> + 0 0 87 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.598 69.7 81.7 -63.3 -15.7 -1.3 2.6 24.3 84 84 A A H 3> S+ 0 0 65 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.894 89.8 57.9 -57.4 -34.7 -2.4 2.1 20.7 85 85 A R H <> S+ 0 0 19 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.877 105.7 48.0 -60.0 -40.0 0.9 0.2 20.6 86 86 A A H > S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.4 -2,-0.2 0.899 110.5 50.4 -68.5 -43.2 -0.3 -2.1 23.4 87 87 A R H X S+ 0 0 122 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 115.0 43.0 -62.9 -43.4 -3.7 -2.7 21.8 88 88 A N H X S+ 0 0 53 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.862 109.4 59.3 -69.8 -35.3 -2.1 -3.6 18.5 89 89 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.938 108.6 43.7 -57.4 -47.2 0.5 -5.7 20.3 90 90 A H H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.890 113.4 50.4 -66.8 -40.9 -2.2 -7.9 21.8 91 91 A K H X S+ 0 0 120 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.926 111.0 49.4 -63.2 -43.5 -4.1 -8.2 18.5 92 92 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.906 109.0 52.6 -62.3 -41.8 -1.0 -9.2 16.7 93 93 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -27,-0.2 0.934 110.6 47.8 -59.5 -44.8 -0.2 -11.8 19.4 94 94 A Q H X S+ 0 0 84 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.845 110.0 52.7 -64.6 -33.9 -3.7 -13.2 18.9 95 95 A Q H X>S+ 0 0 49 -4,-2.1 4,-2.8 2,-0.2 5,-0.6 0.873 109.5 49.1 -69.5 -36.5 -3.2 -13.2 15.1 96 96 A V H X5S+ 0 0 0 -4,-2.4 6,-1.8 2,-0.2 4,-1.4 0.906 113.9 45.4 -68.1 -41.7 0.0 -15.2 15.6 97 97 A A H <5S+ 0 0 28 -4,-2.2 4,-0.4 4,-0.2 -2,-0.2 0.899 120.6 40.5 -67.7 -41.3 -1.7 -17.7 17.9 98 98 A T H <5S+ 0 0 113 -4,-2.4 3,-0.2 -5,-0.2 -2,-0.2 0.963 128.7 24.1 -73.0 -54.7 -4.7 -18.0 15.6 99 99 A L H <5S+ 0 0 115 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.773 129.7 36.4 -85.5 -30.3 -3.1 -18.0 12.1 100 100 A H S >< S- 0 0 61 1,-0.1 4,-2.0 0, 0.0 3,-0.4 -0.976 79.2-126.2-123.2 135.5 8.7 -14.5 6.6 108 108 A F H > S+ 0 0 46 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.835 105.0 53.1 -45.1 -51.0 8.3 -10.8 5.7 109 109 A E H > S+ 0 0 117 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.918 111.9 45.0 -55.4 -48.7 4.8 -10.9 4.3 110 110 A E H 4 S+ 0 0 64 -3,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.858 115.0 48.2 -66.1 -36.6 3.3 -12.6 7.4 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.943 110.1 49.9 -69.8 -47.6 5.2 -10.3 9.8 112 112 A A H 3< S+ 0 0 37 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.659 100.6 68.0 -65.9 -14.4 4.2 -7.1 8.0 113 113 A A T 3< S+ 0 0 61 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.644 80.1 101.4 -79.3 -15.0 0.6 -8.3 8.1 114 114 A L S X S- 0 0 5 -3,-1.8 3,-1.7 -4,-0.3 -22,-0.1 -0.426 84.9-102.4 -74.4 144.5 0.5 -7.9 11.9 115 115 A P T 3 S+ 0 0 39 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.389 107.9 18.9 -63.0 139.7 -1.3 -4.9 13.4 116 116 A G T 3 S+ 0 0 35 1,-0.2 2,-0.6 -4,-0.1 -27,-0.1 0.450 100.6 111.0 79.3 -0.5 1.2 -2.3 14.6 117 117 A V < - 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0 0 89 66,-0.2 3,-2.8 68,-0.2 6,-0.3 -0.690 23.7-140.5 -81.8 122.4 10.7 16.3 4.0 155 155 A P T 3 S+ 0 0 44 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.636 98.5 75.0 -55.1 -16.4 10.4 12.5 4.6 156 156 A G T 3 S+ 0 0 47 4,-0.1 2,-0.4 5,-0.1 66,-0.0 0.639 81.1 88.2 -72.0 -12.9 6.6 13.0 4.9 157 157 A K S <> S- 0 0 106 -3,-2.8 4,-2.5 1,-0.1 3,-0.4 -0.741 83.3-132.0 -90.0 132.0 6.7 13.3 1.1 158 158 A K H > S+ 0 0 142 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.870 104.7 49.3 -48.2 -50.9 6.3 10.1 -0.8 159 159 A E H > S+ 0 0 148 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 112.2 49.2 -60.8 -38.1 9.2 10.7 -3.2 160 160 A V H > S+ 0 0 12 -3,-0.4 4,-2.3 -6,-0.3 -2,-0.2 0.916 110.7 49.8 -68.0 -45.1 11.5 11.6 -0.3 161 161 A E H X S+ 0 0 24 -4,-2.5 4,-2.4 -7,-0.2 5,-0.2 0.954 111.9 47.4 -58.4 -51.3 10.6 8.5 1.6 162 162 A N H X S+ 0 0 73 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.847 109.8 54.8 -59.5 -34.8 11.1 6.2 -1.4 163 163 A K H X S+ 0 0 123 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.911 109.4 46.5 -65.2 -42.3 14.5 7.9 -1.9 164 164 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.871 109.7 53.5 -68.8 -35.3 15.5 7.2 1.7 165 165 A W H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.871 107.6 52.6 -66.0 -34.3 14.4 3.5 1.3 166 166 A S H X S+ 0 0 49 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.903 109.6 48.0 -66.5 -42.3 16.5 3.3 -1.8 167 167 A L H X S+ 0 0 17 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.919 110.7 50.7 -65.5 -43.8 19.6 4.6 0.1 168 168 A S H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.927 110.4 50.5 -60.2 -43.1 18.9 2.2 3.0 169 169 A E H < S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.912 109.9 51.4 -60.0 -41.9 18.7 -0.7 0.5 170 170 A Q H < S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.6 36.6 -65.1 -39.0 22.0 0.4 -1.1 171 171 A V H < S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.674 93.2 98.2 -90.5 -17.6 24.1 0.5 2.1 172 172 A T < - 0 0 23 -4,-1.9 2,-0.1 -5,-0.2 5,-0.1 -0.595 62.8-153.1 -76.9 120.3 22.5 -2.4 3.9 173 173 A P - 0 0 25 0, 0.0 -39,-0.1 0, 0.0 7,-0.1 -0.448 16.7-142.9 -88.2 164.7 24.7 -5.6 3.5 174 174 A A S > S+ 0 0 47 -2,-0.1 3,-1.6 2,-0.1 2,-0.4 0.854 88.7 72.8 -90.3 -46.7 23.5 -9.2 3.6 175 175 A V T 3 S+ 0 0 123 1,-0.3 5,-0.1 2,-0.1 -44,-0.0 -0.574 119.8 1.1 -70.0 122.8 26.6 -10.4 5.4 176 176 A G T >> S+ 0 0 7 -2,-0.4 4,-2.5 -45,-0.1 3,-0.6 0.705 83.1 148.2 71.9 23.1 26.3 -9.1 9.0 177 177 A V H <> + 0 0 0 -3,-1.6 4,-2.9 1,-0.2 5,-0.3 0.856 67.4 59.0 -58.5 -36.5 22.9 -7.4 8.5 178 178 A E H 3> S+ 0 0 49 -4,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.898 111.9 41.0 -60.3 -38.6 21.9 -8.1 12.1 179 179 A R H <> S+ 0 0 87 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.902 114.5 51.8 -75.2 -42.4 24.9 -6.1 13.3 180 180 A F H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.937 110.4 47.4 -60.6 -48.8 24.6 -3.4 10.6 181 181 A N H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.892 113.2 47.3 -63.9 -38.5 20.9 -2.7 11.4 182 182 A Q H X S+ 0 0 21 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.907 112.1 52.0 -68.5 -38.0 21.4 -2.5 15.1 183 183 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.902 106.6 52.7 -62.9 -42.7 24.4 -0.2 14.6 184 184 A M H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 110.4 47.5 -61.5 -41.6 22.4 2.1 12.4 185 185 A M H X S+ 0 0 16 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.916 112.7 49.8 -66.1 -40.1 19.7 2.5 15.1 186 186 A D H X>S+ 0 0 29 -4,-2.4 4,-3.1 2,-0.2 5,-0.5 0.935 110.3 50.0 -63.0 -45.9 22.4 3.1 17.7 187 187 A L H X>S+ 0 0 1 -4,-3.0 5,-3.0 1,-0.2 4,-2.1 0.924 112.4 45.9 -58.9 -48.4 24.2 5.8 15.6 188 188 A G H <5S+ 0 0 0 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.789 118.4 44.0 -67.1 -26.1 21.0 7.7 14.9 189 189 A A H <5S+ 0 0 52 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.859 130.9 17.6 -86.4 -37.0 20.0 7.4 18.6 190 190 A M H <5S+ 0 0 129 -4,-3.1 -3,-0.2 -5,-0.2 3,-0.2 0.731 135.2 22.7-106.9 -30.6 23.3 8.3 20.3 191 191 A I T < + 0 0 100 -7,-2.5 3,-2.1 1,-0.2 4,-0.2 -0.447 45.6 165.4 -85.9 65.2 28.6 14.1 17.7 199 199 A C G > + 0 0 44 -2,-1.8 3,-1.5 1,-0.3 6,-0.3 0.777 68.5 61.9 -52.5 -34.4 30.2 13.9 14.2 200 200 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.708 106.9 46.8 -68.1 -18.3 33.7 13.4 15.7 201 201 A L G < S+ 0 0 102 -3,-2.1 -1,-0.3 -10,-0.1 -2,-0.2 0.285 94.1 104.8-102.4 6.6 32.4 10.2 17.2 202 202 A C X - 0 0 17 -3,-1.5 3,-1.2 -4,-0.2 4,-0.2 -0.757 63.4-148.8 -97.1 134.1 30.7 9.1 14.0 203 203 A P T 3 S+ 0 0 21 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.596 100.3 53.6 -72.2 -9.8 32.1 6.3 11.7 204 204 A L T >> S+ 0 0 3 1,-0.1 4,-2.2 2,-0.1 3,-1.6 0.349 75.4 104.4-105.3 5.2 30.6 8.1 8.7 205 205 A Q T <4 S+ 0 0 93 -3,-1.2 -1,-0.1 1,-0.3 -5,-0.1 0.741 73.0 60.2 -59.0 -27.6 32.2 11.5 9.4 206 206 A N T 34 S+ 0 0 101 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.650 121.0 23.1 -78.1 -14.0 34.9 11.0 6.7 207 207 A G T <4 S+ 0 0 26 -3,-1.6 -2,-0.2 -206,-0.0 2,-0.2 0.515 90.1 119.1-126.0 -11.7 32.3 10.7 3.9 208 208 A C X - 0 0 17 -4,-2.2 4,-1.9 1,-0.1 -60,-0.2 -0.386 50.0-153.5 -63.6 126.1 29.2 12.4 5.3 209 209 A I H > S+ 0 0 63 -61,-1.9 4,-1.8 1,-0.2 -61,-0.2 0.938 94.5 52.4 -65.0 -48.1 28.0 15.4 3.3 210 210 A A H >>S+ 0 0 1 -63,-2.0 5,-2.5 1,-0.2 4,-0.5 0.878 111.3 48.2 -57.0 -39.3 26.3 17.2 6.2 211 211 A A H >45S+ 0 0 21 3,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.888 107.5 54.6 -69.2 -39.8 29.5 16.9 8.2 212 212 A A H 3<5S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 121.9 30.0 -62.5 -32.6 31.7 18.2 5.4 213 213 A N H 3<5S- 0 0 103 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.305 103.0-124.1-109.9 6.7 29.5 21.3 5.1 214 214 A N T <<5S+ 0 0 137 -3,-0.5 -3,-0.2 -4,-0.5 3,-0.2 0.911 73.6 128.5 49.7 45.1 28.4 21.6 8.8 215 215 A S > < + 0 0 17 -5,-2.5 3,-2.2 -6,-0.2 4,-0.4 -0.038 9.3 128.6-121.0 29.6 24.8 21.5 7.4 216 216 A W G > + 0 0 53 -6,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.763 66.2 70.4 -56.8 -25.1 23.3 18.7 9.5 217 217 A A G 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.671 92.5 58.0 -67.6 -16.4 20.4 21.1 10.4 218 218 A L G < S+ 0 0 101 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.605 88.5 108.8 -88.5 -13.7 19.2 20.9 6.8 219 219 A Y S < S+ 0 0 29 -3,-1.2 2,-0.2 -4,-0.4 -67,-0.1 -0.970 74.7 20.1-127.4 132.0 18.7 17.1 6.8 220 220 A P S S- 0 0 21 0, 0.0 -68,-0.2 0, 0.0 -66,-0.2 0.638 99.7-117.9 -74.8 169.5 16.2 15.6 6.8 221 221 A G - 0 0 10 -68,-2.0 2,-0.2 -70,-0.5 -68,-0.1 -0.366 27.1-120.2 -71.4 154.7 14.0 18.4 5.5 222 222 A K - 0 0 153 -70,-0.2 -68,-0.2 -68,-0.1 -1,-0.1 -0.552 37.3 -83.5 -92.8 160.4 11.2 19.7 7.7 223 223 A K - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 -70,-0.0 -0.498 58.5-108.5 -64.7 117.9 7.5 19.7 6.9 224 224 A P 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.106 360.0 360.0 -51.4 140.9 6.9 22.9 4.8 225 225 A K 0 0 247 -3,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.738 360.0 360.0-143.9 360.0 5.0 25.8 6.4