==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAY-02 1LMZ . COMPND 2 MOLECULE: 3-METHYLADENINE DNA GLYCOSYLASE I (TAG); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.C.DROHAT,K.KWON,D.J.KROSKY,J.T.STIVERS . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.6 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 1 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 . 1 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 0 196 0, 0.0 2,-0.4 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 99.4 -17.9 23.9 1.4 2 2 A E + 0 0 129 176,-0.4 178,-0.8 0, 0.0 2,-0.3 -0.968 360.0 179.6-129.3 144.9 -17.2 21.3 4.1 3 3 A R - 0 0 102 -2,-0.4 172,-0.1 176,-0.2 176,-0.0 -0.998 53.6 -28.6-144.9 140.1 -15.7 17.9 3.9 4 4 A C - 0 0 23 -2,-0.3 -1,-0.1 1,-0.1 171,-0.0 0.007 52.8-153.7 47.0-163.0 -15.0 15.2 6.5 5 5 A G S S+ 0 0 57 -3,-0.1 -1,-0.1 3,-0.0 126,-0.0 0.243 76.3 76.6-176.7 -27.4 -14.3 16.6 10.0 6 6 A W S S+ 0 0 101 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.714 72.8 103.5 -73.7 -16.7 -12.1 14.1 11.9 7 7 A V + 0 0 32 6,-0.1 2,-0.3 7,-0.0 3,-0.1 -0.465 46.2 150.0 -67.0 130.2 -9.1 15.3 9.9 8 8 A S - 0 0 82 1,-0.4 5,-0.1 -2,-0.2 -2,-0.0 -0.938 50.2 -18.6-162.7 137.2 -6.9 17.6 12.0 9 9 A Q S S+ 0 0 160 -2,-0.3 -1,-0.4 2,-0.1 4,-0.4 0.137 97.4 78.7 50.5 179.1 -3.2 18.5 12.2 10 10 A D S > S- 0 0 81 1,-0.2 3,-2.6 2,-0.1 4,-0.4 0.963 72.7-144.2 48.3 77.1 -0.8 16.1 10.5 11 11 A P T 3> S+ 0 0 104 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.617 89.1 86.5 -47.7 -10.4 -1.4 17.3 6.9 12 12 A L H 3> S+ 0 0 50 3,-0.2 4,-2.3 2,-0.2 5,-0.4 0.876 83.9 55.5 -62.8 -33.8 -0.9 13.6 6.0 13 13 A Y H <> S+ 0 0 43 -3,-2.6 4,-3.0 -4,-0.4 5,-0.2 0.990 118.3 30.3 -63.0 -58.1 -4.6 13.0 6.7 14 14 A I H > S+ 0 0 85 -4,-0.4 4,-4.0 -5,-0.3 5,-0.4 0.955 120.4 53.6 -67.7 -47.5 -5.8 15.7 4.2 15 15 A A H X S+ 0 0 44 -4,-3.2 4,-2.1 1,-0.2 -3,-0.2 0.942 117.9 36.9 -53.5 -47.7 -2.8 15.3 1.9 16 16 A Y H X S+ 0 0 50 -4,-2.3 4,-2.7 -5,-0.4 -1,-0.2 0.932 118.1 50.4 -72.3 -43.5 -3.5 11.5 1.7 17 17 A H H < S+ 0 0 15 -4,-3.0 -2,-0.2 -5,-0.4 -3,-0.2 0.935 114.9 44.0 -60.9 -43.5 -7.3 11.9 1.7 18 18 A D H < S+ 0 0 102 -4,-4.0 -1,-0.2 -5,-0.2 -2,-0.2 0.923 112.3 52.8 -68.6 -41.2 -7.1 14.6 -1.1 19 19 A N H < S- 0 0 99 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.956 135.0 -33.3 -60.2 -48.1 -4.6 12.5 -3.1 20 20 A E S < S+ 0 0 77 -4,-2.7 149,-0.1 -5,-0.2 148,-0.0 -0.301 82.7 116.0-142.0-131.8 -6.9 9.4 -3.0 21 21 A W S S+ 0 0 47 147,-0.6 147,-0.2 2,-0.2 148,-0.1 0.816 89.5 34.4 56.6 111.0 -9.4 7.9 -0.5 22 22 A G S S+ 0 0 33 145,-1.3 148,-0.2 146,-0.3 -1,-0.1 0.465 93.3 106.0 94.2 0.6 -12.9 7.9 -2.0 23 23 A V S S- 0 0 73 145,-0.6 -2,-0.2 144,-0.2 148,-0.1 -0.835 72.6-132.0-118.1 96.6 -11.5 7.2 -5.5 24 24 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 146,-0.2 -0.143 24.8-157.8 -46.3 122.6 -12.2 3.6 -6.5 25 25 A E + 0 0 46 1,-0.1 146,-0.1 2,-0.1 145,-0.0 -0.884 23.4 179.6-110.7 139.3 -9.0 2.2 -8.0 26 26 A T + 0 0 79 -2,-0.4 2,-0.5 143,-0.0 88,-0.3 0.340 48.0 115.1-115.6 4.0 -8.8 -0.8 -10.4 27 27 A D > - 0 0 73 1,-0.2 4,-2.8 86,-0.1 5,-0.3 -0.620 55.7-153.6 -77.8 123.5 -5.0 -0.8 -10.8 28 28 A S H > S+ 0 0 19 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.903 94.4 52.9 -64.5 -37.8 -3.6 -4.0 -9.4 29 29 A K H > S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.981 116.6 35.9 -62.9 -55.1 -0.2 -2.3 -8.7 30 30 A K H > S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.935 122.9 45.2 -65.9 -43.9 -1.7 0.6 -6.7 31 31 A L H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 5,-0.3 0.880 106.0 61.4 -68.6 -34.8 -4.4 -1.6 -5.1 32 32 A F H X S+ 0 0 14 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.908 106.8 45.0 -59.5 -39.5 -1.9 -4.3 -4.3 33 33 A E H X S+ 0 0 23 -4,-1.5 4,-3.5 -5,-0.2 5,-0.4 0.844 105.5 63.2 -73.8 -31.1 0.1 -1.9 -2.1 34 34 A M H X S+ 0 0 16 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.973 109.4 37.5 -59.1 -54.1 -3.1 -0.6 -0.4 35 35 A I H X S+ 0 0 11 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.865 119.8 50.0 -67.6 -33.2 -4.0 -4.0 1.1 36 36 A C H X S+ 0 0 7 -4,-1.4 4,-0.7 -5,-0.3 -2,-0.2 0.940 111.9 45.6 -71.8 -45.9 -0.3 -4.7 1.8 37 37 A L H >< S+ 0 0 10 -4,-3.5 3,-1.1 1,-0.2 4,-0.4 0.939 112.9 50.4 -64.2 -44.3 0.4 -1.4 3.5 38 38 A E H >X S+ 0 0 16 -4,-2.2 3,-3.2 -5,-0.4 4,-0.5 0.870 92.9 76.4 -63.1 -33.3 -2.8 -1.6 5.6 39 39 A G H >< S+ 0 0 7 -4,-1.3 3,-1.0 1,-0.3 -1,-0.3 0.869 93.6 52.3 -46.3 -36.4 -1.8 -5.1 6.7 40 40 A Q T > - 0 0 51 1,-0.1 4,-1.8 -3,-0.1 3,-0.6 -0.816 19.8-119.6-108.7 149.9 -2.8 3.6 12.9 46 46 A W H 3> S+ 0 0 128 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.887 116.2 57.7 -53.8 -36.3 -3.5 4.3 9.2 47 47 A I H 3> S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.918 103.5 51.7 -62.5 -40.5 -1.7 7.6 9.6 48 48 A T H <> S+ 0 0 32 -3,-0.6 4,-2.3 1,-0.2 5,-0.3 0.899 103.6 58.4 -64.3 -37.3 1.5 5.7 10.7 49 49 A V H X S+ 0 0 14 -4,-1.8 4,-3.4 1,-0.2 -1,-0.2 0.914 99.8 58.1 -60.1 -39.4 1.3 3.5 7.7 50 50 A L H X S+ 0 0 19 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.947 107.9 45.8 -57.4 -46.8 1.5 6.5 5.4 51 51 A K H X S+ 0 0 83 -4,-1.3 4,-1.5 1,-0.2 3,-0.5 0.971 118.8 40.7 -62.0 -51.0 4.8 7.5 6.9 52 52 A K H X S+ 0 0 56 -4,-2.3 4,-4.1 1,-0.2 5,-0.3 0.843 104.0 70.9 -67.0 -28.7 6.2 4.0 6.7 53 53 A R H X S+ 0 0 72 -4,-3.4 4,-2.1 -5,-0.3 -1,-0.2 0.933 101.8 44.0 -53.4 -44.6 4.6 3.6 3.3 54 54 A E H X S+ 0 0 132 -4,-1.5 4,-1.3 -3,-0.5 -1,-0.2 0.934 116.2 46.2 -67.7 -43.6 7.2 6.1 1.9 55 55 A N H X S+ 0 0 66 -4,-1.5 4,-1.5 2,-0.2 5,-0.3 0.902 109.4 56.4 -66.1 -37.5 10.0 4.4 3.8 56 56 A Y H X>S+ 0 0 27 -4,-4.1 4,-3.2 1,-0.2 5,-0.5 0.958 106.2 48.6 -59.7 -49.1 8.8 1.0 2.6 57 57 A R H X>S+ 0 0 90 -4,-2.1 4,-0.6 -5,-0.3 5,-0.6 0.838 103.8 64.2 -61.2 -29.6 9.0 2.0 -1.0 58 58 A A H <5S+ 0 0 64 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.928 119.1 21.1 -62.2 -43.6 12.5 3.3 -0.3 59 59 A C H X5S+ 0 0 24 -4,-1.5 4,-0.9 -3,-0.5 -2,-0.2 0.866 130.8 43.2 -93.9 -41.9 13.9 -0.2 0.5 60 60 A F H >X5S+ 0 0 8 -4,-3.2 3,-1.3 -5,-0.3 4,-1.2 0.973 110.9 52.8 -70.7 -52.1 11.3 -2.5 -1.2 61 61 A H H >< S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.773 123.5 70.4 -41.7 -31.8 8.4 -6.6 -6.2 66 66 A V H >> S+ 0 0 91 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.960 102.5 40.7 -56.6 -50.7 9.9 -9.3 -8.5 67 67 A K H XX S+ 0 0 116 -3,-1.5 4,-0.8 -4,-0.9 3,-0.6 0.875 106.2 65.2 -66.8 -34.5 12.8 -9.9 -6.1 68 68 A V H 3< S+ 0 0 5 -4,-1.4 -1,-0.2 1,-0.3 32,-0.2 0.842 105.8 44.8 -58.2 -28.9 10.4 -9.6 -3.1 69 69 A A H << S+ 0 0 17 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.698 128.3 27.9 -87.6 -18.4 8.7 -12.8 -4.5 70 70 A A H << S+ 0 0 73 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.045 95.2 118.5-128.6 26.0 12.0 -14.5 -5.1 71 71 A M < - 0 0 25 -4,-0.8 2,-0.3 -3,-0.2 -3,-0.1 0.126 62.4-105.5 -75.2-160.6 14.2 -12.9 -2.5 72 72 A Q >> - 0 0 91 1,-0.1 4,-1.2 0, 0.0 3,-1.0 -0.897 18.6-114.0-129.6 160.6 15.9 -14.8 0.3 73 73 A E H 3> S+ 0 0 110 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.834 118.0 59.4 -63.4 -28.3 15.3 -15.2 4.1 74 74 A E H 3> S+ 0 0 130 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.794 97.1 62.1 -70.7 -24.3 18.6 -13.4 4.6 75 75 A D H <> S+ 0 0 53 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.956 105.1 44.1 -67.0 -47.7 17.2 -10.4 2.7 76 76 A V H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.904 110.3 56.0 -64.9 -38.1 14.4 -9.8 5.2 77 77 A E H X S+ 0 0 89 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.868 104.4 54.8 -62.6 -32.6 16.8 -10.3 8.1 78 78 A R H >X S+ 0 0 166 -4,-1.5 4,-1.7 1,-0.2 3,-1.0 0.924 106.3 49.5 -67.9 -42.0 19.0 -7.5 6.7 79 79 A L H 3< S+ 0 0 13 -4,-1.6 5,-0.3 1,-0.2 6,-0.3 0.854 93.8 75.8 -66.9 -30.7 16.1 -5.0 6.6 80 80 A V H 3< S+ 0 0 34 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.864 109.7 29.5 -49.6 -33.8 15.3 -5.8 10.2 81 81 A Q H << S+ 0 0 145 -3,-1.0 2,-0.7 -4,-0.6 3,-0.3 0.919 130.8 30.2 -91.4 -63.4 18.4 -3.7 11.1 82 82 A D S < S+ 0 0 112 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.0 -0.848 90.9 84.2-101.5 115.8 18.6 -1.1 8.4 83 83 A A S S- 0 0 14 -2,-0.7 -1,-0.2 -3,-0.2 -24,-0.1 0.164 74.6-130.8-172.5 -46.4 15.3 -0.1 6.8 84 84 A G S S+ 0 0 56 1,-0.3 2,-0.3 -3,-0.3 -29,-0.1 0.663 73.8 104.6 86.6 15.1 13.5 2.6 8.9 85 85 A I S S- 0 0 27 -6,-0.3 -1,-0.3 -30,-0.1 -2,-0.0 -0.804 88.4 -63.5-123.6 167.4 10.2 0.6 8.9 86 86 A I - 0 0 43 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 -0.221 55.5-149.0 -49.1 128.6 8.4 -1.5 11.6 87 87 A R + 0 0 131 1,-0.1 -1,-0.1 4,-0.1 3,-0.0 -0.894 48.1 124.9-108.3 128.1 10.8 -4.4 12.4 88 88 A H - 0 0 115 -2,-0.5 2,-5.1 0, 0.0 -1,-0.1 0.282 53.1-142.2-158.2 2.0 9.3 -7.7 13.4 89 89 A R S > S+ 0 0 139 1,-0.3 4,-3.0 -13,-0.1 5,-0.3 -0.139 98.7 63.4 59.5 -60.6 10.7 -10.3 11.0 90 90 A G H > S+ 0 0 38 -2,-5.1 4,-1.8 1,-0.2 -1,-0.3 0.949 101.8 48.7 -59.1 -46.7 7.3 -12.1 11.0 91 91 A K H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 112.7 48.7 -60.5 -42.5 5.6 -9.1 9.4 92 92 A I H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.963 107.6 53.2 -63.4 -49.4 8.3 -8.8 6.8 93 93 A Q H X S+ 0 0 70 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.872 104.2 59.5 -54.5 -33.1 8.1 -12.5 5.9 94 94 A A H X S+ 0 0 21 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.940 100.9 52.9 -62.8 -44.3 4.4 -12.0 5.4 95 95 A I H X S+ 0 0 13 -4,-1.5 4,-2.0 -3,-0.5 5,-0.2 0.923 104.0 57.6 -58.4 -41.5 5.0 -9.4 2.7 96 96 A I H X S+ 0 0 11 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.947 105.3 49.7 -55.5 -47.3 7.2 -11.9 0.8 97 97 A G H X S+ 0 0 32 -4,-1.7 4,-3.4 1,-0.2 5,-0.4 0.902 105.7 58.1 -60.5 -37.8 4.4 -14.3 0.6 98 98 A N H X S+ 0 0 17 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.943 107.3 46.3 -59.3 -45.2 2.1 -11.6 -0.7 99 99 A A H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.892 115.0 48.0 -65.6 -36.2 4.4 -11.0 -3.7 100 100 A R H X S+ 0 0 130 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.953 117.6 39.5 -70.0 -47.6 4.7 -14.8 -4.2 101 101 A A H X S+ 0 0 16 -4,-3.4 4,-1.8 2,-0.2 5,-0.2 0.840 114.3 56.3 -71.2 -29.7 0.9 -15.3 -4.1 102 102 A Y H X S+ 0 0 29 -4,-2.6 4,-2.3 -5,-0.4 5,-0.2 0.949 110.2 42.7 -68.1 -46.2 0.3 -12.1 -6.0 103 103 A L H X S+ 0 0 71 -4,-2.1 4,-3.2 -5,-0.2 -2,-0.2 0.910 109.9 58.2 -67.7 -38.9 2.4 -13.2 -9.0 104 104 A Q H X S+ 0 0 107 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.939 111.8 40.7 -57.6 -45.0 1.0 -16.7 -8.9 105 105 A M H ><>S+ 0 0 36 -4,-1.8 5,-1.0 1,-0.2 3,-0.8 0.920 118.9 45.6 -70.8 -41.2 -2.5 -15.3 -9.4 106 106 A E H ><5S+ 0 0 64 -4,-2.3 3,-3.7 1,-0.2 -2,-0.2 0.817 94.8 78.1 -71.7 -27.0 -1.4 -12.7 -11.9 107 107 A Q H 3<5S+ 0 0 158 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.856 92.7 52.7 -51.2 -32.1 0.7 -15.3 -13.7 108 108 A N T <<5S- 0 0 134 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.466 122.2-111.4 -83.3 1.8 -2.6 -16.5 -15.3 109 109 A G T < 5 + 0 0 53 -3,-3.7 -3,-0.2 1,-0.3 -2,-0.2 0.618 68.2 151.0 79.9 9.4 -3.3 -12.9 -16.4 110 110 A E < - 0 0 106 -5,-1.0 2,-0.4 1,-0.1 -1,-0.3 -0.619 49.7-120.8 -79.0 129.2 -6.1 -12.7 -13.9 111 111 A P > - 0 0 47 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 -0.514 20.9-165.2 -70.5 122.2 -6.7 -9.1 -12.6 112 112 A F H > S+ 0 0 3 -2,-0.4 4,-1.9 2,-0.2 3,-0.2 0.923 85.4 50.2 -76.4 -44.9 -6.3 -8.9 -8.8 113 113 A A H > S+ 0 0 0 1,-0.2 4,-1.6 -87,-0.2 5,-0.4 0.953 106.6 54.4 -60.4 -49.7 -7.9 -5.5 -8.3 114 114 A D H > S+ 0 0 68 -88,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.860 110.2 48.8 -54.6 -35.1 -11.0 -6.3 -10.3 115 115 A F H X S+ 0 0 53 -4,-0.8 4,-1.2 -3,-0.2 -1,-0.2 0.948 105.9 53.7 -73.5 -48.4 -11.6 -9.4 -8.1 116 116 A V H < S+ 0 0 3 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.936 121.9 28.2 -56.0 -50.3 -11.3 -7.8 -4.6 117 117 A W H >< S+ 0 0 62 -4,-1.6 3,-1.9 1,-0.2 -1,-0.2 0.750 107.2 73.2 -86.7 -22.4 -13.8 -5.0 -5.2 118 118 A S H >X S+ 0 0 49 -4,-1.2 3,-1.6 -5,-0.4 4,-1.4 0.838 72.5 87.4 -59.5 -28.0 -16.0 -6.9 -7.7 119 119 A F T 3< S+ 0 0 89 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.725 71.9 77.1 -45.1 -16.0 -17.2 -9.0 -4.7 120 120 A V T X4 S- 0 0 9 -3,-1.9 3,-0.9 1,-0.1 -1,-0.3 0.188 122.3-101.6 -83.2 22.4 -19.8 -6.2 -4.5 121 121 A N T <4 - 0 0 104 -3,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.959 66.6 -67.1 61.1 48.3 -21.7 -7.8 -7.4 122 122 A H T 3< S+ 0 0 132 -4,-1.4 -1,-0.2 1,-0.1 -4,-0.1 0.843 120.0 108.1 41.9 33.0 -20.3 -5.2 -9.9 123 123 A Q < - 0 0 118 -3,-0.9 -1,-0.1 -5,-0.2 48,-0.0 -0.718 65.7-143.0-142.8 90.9 -22.4 -2.7 -7.9 124 124 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 48,-0.1 0.017 21.1-123.7 -47.2 155.2 -20.4 -0.3 -5.6 125 125 A Q E -a 172 0A 68 46,-1.1 48,-1.5 0, 0.0 2,-0.3 -0.710 21.5-161.3-105.7 158.9 -22.1 0.6 -2.3 126 126 A M E -a 173 0A 124 -2,-0.3 2,-0.3 46,-0.2 48,-0.1 -0.952 4.7-147.0-136.0 156.9 -23.0 4.0 -0.9 127 127 A T - 0 0 26 46,-1.5 48,-0.1 -2,-0.3 8,-0.0 -0.847 11.3-169.9-122.6 160.4 -23.7 5.4 2.6 128 128 A Q + 0 0 124 -2,-0.3 2,-0.1 46,-0.1 48,-0.1 -0.162 37.6 137.5-141.3 43.7 -26.0 8.1 3.9 129 129 A A - 0 0 17 1,-0.1 48,-0.9 2,-0.0 46,-0.1 -0.387 56.2-128.5 -86.7 169.7 -25.0 8.6 7.5 130 130 A T S S+ 0 0 108 46,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.828 88.9 11.2 -87.7 -33.2 -24.7 12.0 9.3 131 131 A T S > S- 0 0 66 45,-0.1 4,-0.8 1,-0.1 3,-0.4 -0.889 79.6-106.4-137.7 169.4 -21.2 11.3 10.7 132 132 A L T 4 S+ 0 0 49 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.825 114.1 68.2 -67.9 -27.7 -18.4 8.7 10.2 133 133 A S T 4 S+ 0 0 106 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.921 96.0 53.3 -59.1 -41.2 -19.3 7.3 13.7 134 134 A E T 4 S+ 0 0 137 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.851 91.4 92.8 -64.2 -29.9 -22.7 6.0 12.3 135 135 A I S < S- 0 0 22 -4,-0.8 2,-0.2 -3,-0.4 -8,-0.0 -0.458 80.9-127.4 -67.4 131.8 -20.8 4.3 9.5 136 136 A P - 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.544 5.4-148.3 -80.0 141.5 -20.0 0.6 10.4 137 137 A T S S+ 0 0 74 -2,-0.2 2,-0.4 1,-0.2 26,-0.2 0.384 89.7 59.3 -89.9 6.3 -16.4 -0.7 10.2 138 138 A S + 0 0 55 25,-0.1 -1,-0.2 24,-0.1 22,-0.1 -0.770 67.9 174.4-136.4 92.7 -17.7 -4.1 9.3 139 139 A T >> - 0 0 25 -2,-0.4 4,-1.9 20,-0.2 3,-0.8 -0.680 45.3-108.5 -98.1 154.5 -19.8 -4.3 6.1 140 140 A P H 3> S+ 0 0 116 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.851 121.9 50.1 -46.7 -40.2 -21.2 -7.6 4.6 141 141 A A H 3> S+ 0 0 22 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.874 105.2 57.8 -71.1 -33.9 -18.7 -7.2 1.7 142 142 A S H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.946 109.0 44.2 -62.4 -45.6 -15.8 -6.7 4.1 143 143 A D H X S+ 0 0 70 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.938 118.8 42.9 -66.0 -43.8 -16.4 -10.0 5.8 144 144 A A H X S+ 0 0 45 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.886 114.4 51.8 -70.6 -35.6 -16.9 -11.9 2.5 145 145 A L H X S+ 0 0 4 -4,-3.2 4,-2.1 -5,-0.2 3,-0.3 0.952 107.7 50.7 -66.9 -46.7 -13.9 -10.0 0.9 146 146 A S H X S+ 0 0 19 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.909 107.7 54.6 -58.9 -39.0 -11.5 -10.9 3.8 147 147 A K H X S+ 0 0 145 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.883 106.8 52.1 -63.6 -34.7 -12.6 -14.6 3.5 148 148 A A H >X S+ 0 0 5 -4,-1.4 4,-1.1 -3,-0.3 3,-0.9 0.966 108.4 48.1 -67.4 -50.3 -11.6 -14.5 -0.2 149 149 A L H 3X>S+ 0 0 5 -4,-2.1 5,-1.6 1,-0.3 4,-0.9 0.866 102.7 65.5 -59.2 -32.5 -8.1 -13.1 0.4 150 150 A K H ><5S+ 0 0 132 -4,-1.8 3,-1.0 -5,-0.3 -1,-0.3 0.905 95.9 56.6 -57.9 -38.1 -7.7 -15.7 3.0 151 151 A K H <<5S+ 0 0 147 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.910 99.9 57.8 -61.6 -38.9 -7.9 -18.4 0.3 152 152 A R H 3<5S- 0 0 55 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.766 123.5-108.5 -63.5 -20.2 -5.0 -16.7 -1.5 153 153 A G T <<5 + 0 0 54 -3,-1.0 2,-0.4 -4,-0.9 -3,-0.2 0.710 66.0 153.2 99.3 24.6 -3.0 -17.2 1.7 154 154 A F < - 0 0 10 -5,-1.6 -1,-0.3 -53,-0.1 3,-0.2 -0.732 28.1-155.2 -89.8 131.9 -2.9 -13.6 2.8 155 155 A K + 0 0 149 -2,-0.4 -116,-0.0 1,-0.2 -1,-0.0 -0.412 68.7 45.1 -96.3 177.7 -2.5 -13.0 6.5 156 156 A F + 0 0 92 1,-0.1 -1,-0.2 -2,-0.1 -114,-0.1 0.975 68.3 135.9 54.1 57.2 -3.6 -9.9 8.5 157 157 A V + 0 0 26 -3,-0.2 5,-0.2 4,-0.1 -1,-0.1 0.044 22.1 155.6-121.8 25.9 -7.0 -9.7 6.8 158 158 A G > - 0 0 39 1,-0.1 4,-1.9 -119,-0.1 5,-0.2 0.054 62.0-101.7 -45.5 166.3 -9.2 -9.1 9.8 159 159 A T H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -20,-0.2 0.804 123.5 58.4 -66.4 -24.5 -12.5 -7.3 9.0 160 160 A T H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 105.7 46.6 -72.0 -42.7 -10.9 -4.1 10.3 161 161 A I H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 112.3 50.8 -65.7 -41.5 -8.1 -4.2 7.8 162 162 A C H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.920 108.0 53.4 -63.2 -40.4 -10.5 -4.9 4.9 163 163 A Y H X S+ 0 0 34 -4,-1.8 4,-2.3 -26,-0.2 5,-0.3 0.952 107.3 50.6 -60.7 -46.8 -12.7 -2.0 6.0 164 164 A S H X S+ 0 0 29 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.945 111.1 48.6 -57.4 -45.5 -9.7 0.4 5.8 165 165 A F H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.882 107.6 57.0 -62.7 -34.5 -8.8 -0.9 2.3 166 166 A M H X>S+ 0 0 2 -4,-2.3 4,-2.0 -5,-0.2 5,-0.8 0.943 110.8 41.7 -63.3 -45.0 -12.5 -0.4 1.4 167 167 A Q H <5S+ 0 0 14 -4,-2.3 -145,-1.3 2,-0.2 -2,-0.2 0.894 114.2 53.0 -70.1 -37.2 -12.4 3.3 2.3 168 168 A A H <5S+ 0 0 3 -4,-2.5 -147,-0.6 -5,-0.3 -145,-0.6 0.953 113.8 41.6 -64.8 -47.0 -9.0 3.8 0.7 169 169 A C H <5S- 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -146,-0.2 0.995 108.4-121.0 -64.7 -61.1 -10.0 2.3 -2.6 170 170 A G T <5 + 0 0 0 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.422 66.2 136.6 131.0 7.5 -13.5 4.0 -2.8 171 171 A L S - 0 0 30 -2,-0.2 3,-1.8 1,-0.1 6,-0.2 -0.268 47.3 -83.1 -60.0 148.2 -21.8 13.1 5.5 177 177 A V T 3 S+ 0 0 57 -48,-0.9 -1,-0.1 1,-0.3 3,-0.1 -0.279 123.0 27.3 -53.7 129.9 -25.0 15.1 4.7 178 178 A G T 3 S+ 0 0 49 4,-0.4 2,-1.4 1,-0.2 -176,-0.4 0.565 81.3 147.7 92.2 8.0 -23.9 18.6 3.7 179 179 A C S < S- 0 0 20 -3,-1.8 2,-4.5 1,-0.2 -1,-0.2 -0.601 87.4 -57.6 -79.7 94.2 -20.5 17.4 2.4 180 180 A C S S- 0 0 79 -2,-1.4 -1,-0.2 -178,-0.8 -177,-0.1 -0.160 128.7 -15.5 65.6 -57.2 -19.8 19.8 -0.4 181 181 A C S S+ 0 0 108 -2,-4.5 -1,-0.2 -179,-0.1 -4,-0.1 -0.110 76.5 172.6-173.1 60.8 -23.1 18.7 -2.0 182 182 A Y - 0 0 32 -6,-0.2 -4,-0.4 2,-0.0 3,-0.4 -0.695 18.6-158.5 -83.3 118.4 -24.5 15.4 -0.6 183 183 A P + 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -5,-0.0 -0.252 62.9 71.7 -85.7 176.3 -28.0 14.8 -2.0 184 184 A G + 0 0 66 -2,-0.1 -7,-0.0 -7,-0.0 -2,-0.0 0.300 70.0 101.7 97.7 -10.9 -30.8 12.5 -0.5 185 185 A N + 0 0 97 -3,-0.4 -3,-0.0 0, 0.0 -57,-0.0 0.212 53.4 119.8 -90.1 18.4 -31.5 15.0 2.3 186 186 A K 0 0 164 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.537 360.0 360.0 -83.4 151.3 -34.6 16.3 0.4 187 187 A P 0 0 200 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.847 360.0 360.0 -37.1 360.0 -38.0 16.1 2.1