==== 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 TRANSFERASE 12-JAN-99 1MGT . COMPND 2 MOLECULE: PROTEIN (O6-METHYLGUANINE-DNA METHYLTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR H.HASHIMOTO,T.INOUE,M.NISHIOKA,S.FUJIWARA,M.TAKAGI,T.IMANAKA . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 11.2 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 1 0 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 1 0 0 0 0 1 0 1 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 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 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 70 0, 0.0 19,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.0 25.3 36.4 58.3 2 2 A L E -Ab 19 58A 2 55,-2.5 57,-2.7 17,-0.2 2,-0.4 -0.989 360.0-170.0-132.0 136.8 25.0 32.8 56.9 3 3 A S E -A 18 0A 4 15,-2.2 15,-2.6 -2,-0.4 2,-0.4 -0.994 7.8-173.7-125.3 131.3 22.0 30.8 55.8 4 4 A V E +A 17 0A 34 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.993 8.6 167.2-128.2 133.2 22.3 27.1 55.0 5 5 A E E -A 16 0A 75 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -0.996 25.5-137.4-147.8 148.0 19.6 24.8 53.6 6 6 A K E -A 15 0A 96 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.826 21.1-172.9-105.2 142.4 19.4 21.3 52.1 7 7 A F E -A 14 0A 20 7,-2.4 7,-2.8 -2,-0.4 2,-0.4 -0.981 17.2-133.7-132.7 150.1 17.2 20.6 49.0 8 8 A R E -A 13 0A 167 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.835 15.3-176.9-104.9 140.5 16.3 17.4 47.3 9 9 A V E > -A 12 0A 34 3,-2.3 3,-2.0 -2,-0.4 2,-0.2 -0.836 69.9 -65.7-131.6 84.7 16.5 17.0 43.5 10 10 A G T 3 S- 0 0 63 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 -0.469 118.1 -12.5 66.5-130.5 15.2 13.5 43.0 11 11 A E T 3 S+ 0 0 182 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.429 122.8 86.5 -81.1 -4.5 17.7 11.1 44.6 12 12 A R E < -A 9 0A 89 -3,-2.0 -3,-2.3 2,-0.0 2,-0.4 -0.686 65.2-147.4 -96.8 157.6 20.4 13.8 45.0 13 13 A V E -A 8 0A 35 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.981 11.1-166.8-122.5 131.9 20.7 16.2 47.9 14 14 A V E -A 7 0A 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.997 5.6-156.7-121.6 128.9 22.1 19.7 47.3 15 15 A W E -AC 6 30A 48 15,-3.2 15,-1.8 -2,-0.4 2,-0.4 -0.869 10.7-166.7-101.7 132.6 23.2 21.9 50.2 16 16 A I E -AC 5 29A 0 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.4 -0.984 4.2-170.3-123.5 134.2 23.3 25.7 49.5 17 17 A G E -AC 4 28A 0 11,-2.6 11,-2.3 -2,-0.4 2,-0.4 -0.966 2.1-167.4-123.3 136.8 25.0 28.3 51.8 18 18 A V E -AC 3 27A 0 -15,-2.6 -15,-2.2 -2,-0.4 2,-0.5 -0.997 8.7-157.6-128.8 122.9 24.5 32.1 51.3 19 19 A I E +AC 2 26A 0 7,-2.9 6,-2.7 -2,-0.4 7,-1.9 -0.867 32.0 162.5 -93.4 129.0 26.7 34.7 53.1 20 20 A F E + C 0 24A 16 -19,-2.8 4,-0.2 -2,-0.5 35,-0.2 -0.989 34.2 176.1-151.2 159.5 24.7 37.9 53.2 21 21 A S S S- 0 0 67 2,-2.2 2,-0.8 -2,-0.3 -2,-0.0 -0.592 91.4 -34.4-157.5 77.8 24.5 41.3 54.9 22 22 A G S S+ 0 0 69 -2,-0.1 2,-0.3 3,-0.0 -2,-0.0 -0.215 141.8 19.2 97.2 -53.4 21.8 43.4 53.4 23 23 A R S S- 0 0 124 -2,-0.8 -2,-2.2 -4,-0.0 2,-0.2 -0.867 109.3 -67.6-140.4 169.4 22.5 41.9 49.9 24 24 A V E +Cd 20 84A 0 59,-3.1 61,-2.8 -2,-0.3 62,-0.5 -0.420 41.6 174.1 -71.0 132.1 24.3 38.7 48.9 25 25 A Q E - 0 0 2 -6,-2.7 2,-0.3 1,-0.4 -5,-0.2 0.660 65.9 -7.9-105.7 -27.9 28.0 38.5 49.6 26 26 A G E -C 19 0A 0 -7,-1.9 -7,-2.9 109,-0.1 -1,-0.4 -0.957 51.5-156.8-170.2 152.9 28.7 34.9 48.6 27 27 A I E +C 18 0A 2 107,-2.6 2,-0.3 -2,-0.3 -9,-0.2 -0.990 12.9 174.9-136.0 143.2 27.1 31.6 47.7 28 28 A A E -C 17 0A 4 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.3 -0.965 4.5-173.9-141.7 158.8 28.5 28.1 47.9 29 29 A F E +C 16 0A 0 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.986 9.8 157.1-151.4 158.5 26.9 24.6 47.2 30 30 A A E -C 15 0A 0 -15,-1.8 -15,-3.2 -2,-0.3 126,-0.0 -0.961 49.1-105.8-167.5 174.0 27.9 21.0 47.6 31 31 A F S S+ 0 0 46 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 0.420 102.7 34.5 -94.4 2.0 26.4 17.5 47.9 32 32 A D S > S- 0 0 75 -17,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.981 81.1-119.0-150.3 153.4 27.1 17.2 51.7 33 33 A R H > S+ 0 0 118 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.850 109.6 55.7 -65.8 -34.8 27.1 19.7 54.6 34 34 A G H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 110.5 44.9 -63.5 -44.3 30.8 19.2 55.5 35 35 A T H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 111.1 54.8 -66.7 -39.1 32.0 20.0 52.0 36 36 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.935 107.3 50.0 -58.6 -46.7 29.6 23.0 51.9 37 37 A M H X S+ 0 0 36 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.873 108.5 51.6 -63.7 -35.1 31.2 24.4 55.1 38 38 A K H X S+ 0 0 128 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.921 111.9 47.2 -65.7 -41.0 34.7 24.0 53.8 39 39 A R H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.876 109.5 53.5 -68.2 -35.5 33.7 26.0 50.6 40 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.916 111.4 46.3 -64.2 -42.2 31.9 28.6 52.7 41 41 A H H X S+ 0 0 100 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.926 111.3 50.5 -67.9 -41.6 35.1 29.1 54.7 42 42 A D H X S+ 0 0 90 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.911 113.1 47.5 -61.8 -40.8 37.3 29.2 51.6 43 43 A L H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.921 110.7 50.6 -66.6 -42.4 34.9 31.9 50.1 44 44 A A H X S+ 0 0 17 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.868 109.8 51.1 -64.1 -35.7 34.9 33.9 53.4 45 45 A E H X S+ 0 0 126 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.912 111.4 47.8 -66.7 -44.2 38.8 33.9 53.5 46 46 A H H X S+ 0 0 52 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.934 114.9 44.0 -63.6 -47.7 38.9 35.1 49.9 47 47 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.1 0.896 111.1 55.0 -66.2 -37.0 36.4 37.9 50.4 48 48 A G H ><5S+ 0 0 38 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.891 103.0 56.0 -63.4 -37.8 38.0 38.9 53.7 49 49 A K H 3<5S+ 0 0 162 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.676 105.0 54.2 -67.8 -15.6 41.4 39.3 51.8 50 50 A R T <<5S- 0 0 87 -3,-1.1 -1,-0.3 -4,-0.5 38,-0.2 0.254 128.1 -99.0-100.5 13.4 39.6 41.7 49.5 51 51 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.610 73.6 144.8 83.1 14.2 38.4 43.8 52.5 52 52 A V < - 0 0 17 -5,-2.2 2,-0.6 -6,-0.1 -1,-0.3 -0.718 47.3-131.4 -87.7 133.7 34.9 42.5 52.9 53 53 A S - 0 0 107 -2,-0.4 2,-0.4 2,-0.0 -5,-0.0 -0.805 32.0-174.9 -87.1 119.3 33.5 42.3 56.4 54 54 A I - 0 0 49 -2,-0.6 2,-0.4 -10,-0.1 -33,-0.1 -0.963 18.4-172.3-121.5 139.4 31.9 38.8 56.9 55 55 A S - 0 0 64 -2,-0.4 -35,-0.3 -35,-0.2 -2,-0.0 -0.998 7.0-165.1-127.0 125.4 30.0 37.3 59.8 56 56 A L + 0 0 52 -2,-0.4 2,-0.3 -55,-0.1 -1,-0.0 0.005 38.7 137.6-103.1 26.2 29.1 33.6 59.7 57 57 A D - 0 0 61 1,-0.1 -55,-2.5 -54,-0.0 2,-0.4 -0.557 61.5-113.2 -68.4 132.7 26.5 33.5 62.4 58 58 A V B +b 2 0A 92 -2,-0.3 -55,-0.2 -57,-0.2 -1,-0.1 -0.532 45.6 167.6 -77.5 124.3 23.7 31.3 61.2 59 59 A Q - 0 0 76 -57,-2.7 -55,-0.1 -2,-0.4 2,-0.1 -0.979 37.4-104.6-136.0 146.7 20.4 33.1 60.5 60 60 A P + 0 0 120 0, 0.0 2,-0.3 0, 0.0 -57,-0.1 -0.362 50.9 149.6 -69.1 143.5 17.2 32.2 58.8 61 61 A S - 0 0 39 -2,-0.1 4,-0.2 -57,-0.1 -57,-0.0 -0.973 53.6-122.7-166.7 165.1 16.6 33.7 55.4 62 62 A D S > S+ 0 0 84 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 0.354 85.8 97.8 -97.4 5.4 14.9 33.0 52.0 63 63 A Y H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 78.6 52.4 -60.2 -48.1 18.2 33.4 50.1 64 64 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.922 111.3 48.0 -55.4 -44.4 19.0 29.6 49.9 65 65 A E H > S+ 0 0 94 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.879 110.2 51.7 -65.9 -37.0 15.5 28.9 48.5 66 66 A K H X S+ 0 0 50 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.929 110.4 48.7 -65.8 -42.1 15.9 31.8 45.9 67 67 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.923 109.2 53.2 -61.4 -43.3 19.2 30.4 44.7 68 68 A F H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 104.7 55.7 -59.7 -38.3 17.6 26.9 44.5 69 69 A K H <>S+ 0 0 89 -4,-1.9 5,-2.6 2,-0.2 6,-1.5 0.850 108.7 47.1 -63.5 -35.7 14.8 28.4 42.3 70 70 A V H ><5S+ 0 0 2 -4,-1.6 3,-1.3 -3,-0.3 -2,-0.2 0.926 109.8 54.5 -69.6 -43.4 17.5 29.7 39.9 71 71 A L H 3<5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.902 113.0 40.8 -54.4 -44.8 19.2 26.3 39.9 72 72 A I T 3<5S- 0 0 61 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.402 119.0-108.6 -88.7 3.3 16.1 24.4 38.9 73 73 A G T < 5S+ 0 0 36 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.641 86.1 118.7 83.2 17.6 15.1 27.1 36.3 74 74 A E S > - 0 0 97 -2,-0.4 3,-0.8 1,-0.1 4,-0.5 -0.547 22.8-117.9 -80.9 153.1 16.1 33.2 35.5 77 77 A N G >4 S+ 0 0 11 1,-0.2 3,-1.7 -2,-0.2 4,-0.5 0.896 109.8 56.9 -53.7 -47.2 19.8 34.1 36.3 78 78 A A G >4 S+ 0 0 34 23,-0.4 3,-1.1 1,-0.3 4,-0.4 0.814 96.6 63.1 -59.8 -28.7 19.5 37.7 35.3 79 79 A S G <4 S+ 0 0 43 -3,-0.8 3,-0.3 1,-0.2 -1,-0.3 0.714 98.6 57.4 -71.6 -13.5 16.6 38.4 37.7 80 80 A F G X< S+ 0 0 2 -3,-1.7 3,-2.0 -4,-0.5 4,-0.5 0.619 79.9 90.1 -89.2 -11.9 18.9 37.5 40.6 81 81 A L G X S+ 0 0 24 -3,-1.1 3,-1.5 -4,-0.5 -1,-0.2 0.852 80.0 59.5 -52.6 -40.0 21.5 40.2 39.7 82 82 A R G 3 S+ 0 0 180 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.669 98.5 59.1 -64.9 -17.9 19.8 42.9 41.9 83 83 A E G < S+ 0 0 39 -3,-2.0 -59,-3.1 -4,-0.1 2,-0.3 0.589 87.0 96.6 -85.1 -12.4 20.3 40.7 45.0 84 84 A L B < -d 24 0A 3 -3,-1.5 -59,-0.1 -4,-0.5 51,-0.0 -0.622 57.6-160.0 -82.9 134.2 24.1 40.7 44.6 85 85 A S - 0 0 11 -61,-2.8 -60,-0.1 -2,-0.3 -1,-0.1 0.766 18.5-147.3 -82.2 -24.4 26.2 43.1 46.6 86 86 A F > + 0 0 29 -62,-0.5 3,-1.4 1,-0.2 2,-0.2 0.704 39.1 160.0 62.8 21.0 29.3 42.9 44.3 87 87 A E T 3 + 0 0 73 -63,-0.3 -1,-0.2 1,-0.3 3,-0.1 -0.592 67.4 14.0 -73.7 135.4 31.4 43.5 47.5 88 88 A G T 3 S+ 0 0 20 -2,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.677 99.8 121.1 73.7 20.7 35.0 42.2 46.9 89 89 A V < - 0 0 23 -3,-1.4 -1,-0.2 -39,-0.0 44,-0.0 -0.973 59.8-131.4-115.9 127.9 34.4 42.0 43.1 90 90 A T > - 0 0 50 -2,-0.5 4,-2.9 -3,-0.1 5,-0.2 -0.314 25.7-108.7 -73.3 160.7 36.7 44.1 40.8 91 91 A P H > S+ 0 0 115 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.906 121.6 49.3 -56.0 -40.5 35.2 46.2 38.0 92 92 A F H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 111.3 48.1 -64.0 -51.3 36.6 43.7 35.4 93 93 A E H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.934 110.6 51.9 -56.4 -43.8 35.2 40.7 37.2 94 94 A K H X S+ 0 0 82 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.902 107.8 52.1 -58.6 -43.0 31.8 42.4 37.6 95 95 A K H X S+ 0 0 103 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.916 112.1 45.8 -60.5 -45.4 31.7 43.1 33.8 96 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.952 113.5 49.2 -63.9 -48.1 32.4 39.5 33.0 97 97 A Y H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.914 112.8 46.7 -60.0 -42.8 29.8 38.2 35.5 98 98 A E H X S+ 0 0 62 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.942 112.5 48.7 -66.5 -43.9 27.1 40.5 34.3 99 99 A W H X S+ 0 0 76 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.939 113.5 47.7 -61.3 -45.8 27.7 39.7 30.6 100 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.928 113.5 47.7 -58.3 -46.0 27.7 36.0 31.3 101 101 A T H < S+ 0 0 7 -4,-2.3 -23,-0.4 -5,-0.3 -1,-0.2 0.882 117.9 39.4 -66.9 -37.9 24.5 36.2 33.3 102 102 A K H < S+ 0 0 119 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.773 127.6 29.8 -84.3 -26.5 22.6 38.3 30.8 103 103 A N H < S+ 0 0 82 -4,-2.6 2,-1.0 -5,-0.3 -3,-0.2 0.714 98.4 74.3-110.8 -20.7 23.8 36.6 27.6 104 104 A V S < S- 0 0 5 -4,-2.2 -1,-0.1 -5,-0.3 3,-0.1 -0.816 76.0-152.7 -97.0 98.4 24.7 33.0 28.2 105 105 A K > - 0 0 131 -2,-1.0 3,-2.1 1,-0.1 -3,-0.1 -0.296 23.4 -88.3 -76.3 155.0 21.2 31.4 28.5 106 106 A R T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.361 116.7 32.0 -56.8 131.2 20.1 28.3 30.3 107 107 A G T 3 S+ 0 0 44 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.302 109.7 82.6 99.1 -5.4 20.6 25.3 28.0 108 108 A S < - 0 0 49 -3,-2.1 -1,-0.4 61,-0.1 2,-0.3 -0.801 57.3-159.8-126.9 167.9 23.6 26.8 26.2 109 109 A V - 0 0 62 -2,-0.3 2,-0.3 -3,-0.1 35,-0.2 -0.789 2.8-155.4-135.7 175.3 27.3 27.0 26.9 110 110 A I E -e 144 0B 30 33,-2.2 35,-2.6 -2,-0.3 2,-0.1 -0.967 22.3-117.5-153.7 145.1 30.2 29.2 25.7 111 111 A T E > -e 145 0B 27 -2,-0.3 4,-2.5 33,-0.2 5,-0.2 -0.488 25.3-115.7 -84.1 162.0 34.0 28.4 25.6 112 112 A Y H > S+ 0 0 44 33,-1.7 4,-2.3 1,-0.2 5,-0.2 0.927 118.8 51.2 -57.6 -45.0 36.5 30.3 27.6 113 113 A G H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 110.2 46.0 -60.3 -43.4 38.0 31.5 24.3 114 114 A D H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 112.1 51.7 -70.2 -33.9 34.6 32.7 22.8 115 115 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.936 110.5 49.0 -68.0 -40.7 33.8 34.5 26.1 116 116 A A H <>S+ 0 0 2 -4,-2.3 5,-2.6 -5,-0.2 3,-0.4 0.916 110.1 51.0 -62.7 -43.7 37.1 36.3 26.0 117 117 A K H ><5S+ 0 0 155 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.909 106.6 54.7 -62.8 -37.1 36.6 37.3 22.4 118 118 A A H 3<5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 115.4 38.8 -66.1 -28.0 33.2 38.8 23.2 119 119 A L T 3<5S- 0 0 12 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.195 109.6-116.5-107.4 11.3 34.7 41.0 25.9 120 120 A N T < 5S+ 0 0 155 -3,-1.2 2,-0.2 -4,-0.3 -3,-0.2 0.880 79.8 108.4 57.0 39.5 38.0 41.9 24.2 121 121 A T S - 0 0 54 -2,-0.2 4,-2.1 -3,-0.1 5,-0.2 -0.752 26.3-123.5-105.6 152.4 42.1 37.0 27.2 123 123 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.843 114.2 56.2 -58.6 -34.4 41.0 33.5 28.0 124 124 A R H > S+ 0 0 226 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 105.7 49.5 -67.2 -41.8 43.4 33.6 31.0 125 125 A A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 113.3 46.9 -62.0 -40.3 41.7 36.7 32.5 126 126 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.913 110.7 52.5 -67.4 -40.2 38.3 35.1 32.1 127 127 A G H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 108.8 50.3 -62.0 -45.7 39.6 31.9 33.7 128 128 A G H X S+ 0 0 21 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.887 110.9 49.2 -58.7 -42.8 40.9 33.9 36.6 129 129 A A H < S+ 0 0 2 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.884 110.0 50.7 -65.6 -37.8 37.5 35.6 37.0 130 130 A M H >< S+ 0 0 10 -4,-2.3 3,-1.2 1,-0.2 24,-0.2 0.919 107.8 53.0 -67.7 -40.1 35.6 32.3 36.9 131 131 A K H 3< S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.859 113.7 44.1 -59.9 -36.4 37.8 30.8 39.6 132 132 A R T 3< S+ 0 0 100 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.397 77.3 134.2 -89.2 -0.2 37.1 33.7 41.8 133 133 A N < - 0 0 11 -3,-1.2 -3,-0.1 -4,-0.4 -44,-0.0 -0.358 36.0-168.4 -57.1 118.4 33.3 33.9 41.2 134 134 A P S S+ 0 0 3 0, 0.0 -107,-2.6 0, 0.0 -1,-0.2 0.481 78.0 62.3 -85.1 -1.0 31.8 34.3 44.7 135 135 A Y > + 0 0 0 -109,-0.2 4,-2.7 2,-0.1 6,-0.2 -0.365 67.8 175.3-124.2 60.9 28.3 33.7 43.2 136 136 A P T 4 + 0 0 9 0, 0.0 2,-2.2 0, 0.0 -108,-0.0 -0.101 69.0 20.3 -59.7 158.7 28.2 30.2 41.7 137 137 A I T 4 S+ 0 0 3 2,-0.4 5,-0.1 1,-0.2 -60,-0.1 -0.444 125.0 52.5 77.1 -66.2 24.8 29.0 40.3 138 138 A V T 4 S+ 0 0 2 -2,-2.2 -1,-0.2 1,-0.2 -58,-0.1 0.923 111.0 46.4 -67.2 -47.0 23.4 32.5 39.9 139 139 A V S < S- 0 0 0 -4,-2.7 2,-2.2 -59,-0.1 -2,-0.4 -0.892 101.0-135.9 -93.3 108.5 26.4 33.8 37.9 140 140 A P > + 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.260 50.6 148.6 -75.4 65.5 26.5 30.8 35.6 141 141 A C G > + 0 0 8 -2,-2.2 3,-1.5 1,-0.3 -11,-0.0 0.682 65.8 73.7 -69.4 -11.6 30.2 30.0 35.3 142 142 A H G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -3,-0.2 22,-0.1 0.666 88.0 63.1 -73.0 -17.0 29.2 26.3 34.9 143 143 A R G < S+ 0 0 2 -3,-2.2 -33,-2.2 -34,-0.1 2,-0.7 0.434 82.9 90.9 -85.1 -1.3 28.1 27.3 31.3 144 144 A V E < +e 110 0B 0 -3,-1.5 -33,-0.2 -35,-0.2 2,-0.2 -0.861 60.1 167.6 -98.4 113.5 31.7 28.2 30.4 145 145 A V E -e 111 0B 19 -35,-2.6 -33,-1.7 -2,-0.7 6,-0.2 -0.645 36.9 -96.8-118.8 176.8 33.5 25.2 29.0 146 146 A A B > -F 149 0C 23 3,-1.9 3,-0.5 -35,-0.2 -1,-0.1 -0.537 33.6-117.4 -88.5 163.2 36.7 24.3 27.2 147 147 A H T 3 S+ 0 0 160 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.803 116.0 30.9 -69.8 -25.1 36.6 23.9 23.4 148 148 A D T 3 S- 0 0 130 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.174 129.0 -2.3-116.8 17.4 37.7 20.2 23.8 149 149 A G B < S-F 146 0C 40 -3,-0.5 -3,-1.9 1,-0.1 -1,-0.1 -0.992 88.6 -66.2 179.6-177.4 36.1 19.3 27.2 150 150 A I - 0 0 58 -2,-0.3 -1,-0.1 -5,-0.2 -3,-0.0 0.802 68.7-151.7 -61.1 -32.4 34.1 20.2 30.3 151 151 A G - 0 0 21 -6,-0.2 -1,-0.1 -3,-0.0 2,-0.1 -0.094 29.9 -44.4 82.4 178.5 36.8 22.6 31.5 152 152 A Y - 0 0 136 -7,-0.0 2,-0.3 8,-0.0 -8,-0.1 -0.321 45.3-172.7 -82.0 161.8 37.6 23.5 35.1 153 153 A Y > - 0 0 10 1,-0.1 3,-1.5 -2,-0.1 7,-0.1 -0.916 24.2-139.7-152.0 127.3 35.2 24.5 37.9 154 154 A S T 3 S+ 0 0 52 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.798 102.0 48.7 -64.8 -25.3 36.2 25.8 41.3 155 155 A S T 3 S- 0 0 15 1,-0.3 -1,-0.3 -3,-0.1 4,-0.2 0.023 124.5 -68.3-101.9 27.0 33.5 23.7 43.1 156 156 A G <> - 0 0 23 -3,-1.5 4,-2.0 3,-0.1 -1,-0.3 0.248 31.8-109.6 102.3 138.4 34.1 20.3 41.5 157 157 A I H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 117.9 52.5 -69.6 -39.2 33.7 18.6 38.1 158 158 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 108.8 51.4 -63.9 -35.8 30.8 16.5 39.3 159 159 A E H > S+ 0 0 19 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.905 109.9 49.3 -66.5 -41.6 29.1 19.6 40.5 160 160 A K H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.934 112.4 47.7 -61.7 -44.8 29.6 21.3 37.1 161 161 A K H X S+ 0 0 107 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.883 109.4 53.7 -62.7 -39.1 28.2 18.2 35.3 162 162 A F H X S+ 0 0 8 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.927 109.9 47.0 -62.7 -45.5 25.2 18.1 37.6 163 163 A L H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.927 113.6 48.1 -64.0 -43.2 24.4 21.7 36.9 164 164 A L H <>S+ 0 0 14 -4,-2.6 5,-2.5 1,-0.2 4,-0.3 0.915 111.2 50.9 -64.8 -40.5 24.8 21.2 33.1 165 165 A E H ><5S+ 0 0 145 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.930 107.8 52.4 -60.3 -44.5 22.6 18.0 33.2 166 166 A I H 3<5S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 108.6 51.5 -59.7 -34.5 19.8 19.8 35.1 167 167 A E T 3<5S- 0 0 18 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.412 121.9-106.3 -85.4 -0.9 19.8 22.5 32.4 168 168 A G T < 5 0 0 69 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.692 360.0 360.0 84.6 22.8 19.5 20.0 29.6 169 169 A V < 0 0 86 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.877 360.0 360.0 -96.9 360.0 23.1 20.2 28.2