==== 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 14-JAN-09 3FUX . COMPND 2 MOLECULE: DIMETHYLADENOSINE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.DEMIRCI,R.BELARDINELLI,E.SERI,S.T.GREGORY,C.GUALERZI,A.E.D . 793 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 7.6 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 . 53 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 8 4 3 8 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 4 1 3 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 3 0 0 0 3 0 3 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 . 3 0 0 0 0 3 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 5 A A 0 0 42 0, 0.0 28,-1.0 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 136.4 -27.3 10.0 -32.7 2 6 A S > - 0 0 47 26,-0.2 4,-2.9 24,-0.1 5,-0.3 -0.968 360.0-102.7-155.4 155.5 -29.9 10.8 -29.9 3 7 A P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.893 124.9 45.3 -49.7 -37.1 -30.8 9.4 -26.5 4 8 A Q H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 112.6 48.4 -74.4 -45.6 -33.9 7.8 -28.2 5 9 A S H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 113.3 48.1 -60.2 -41.7 -32.1 6.5 -31.3 6 10 A V H X S+ 0 0 8 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.942 112.6 47.3 -66.8 -48.5 -29.3 4.9 -29.1 7 11 A R H X S+ 0 0 125 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.915 114.3 48.6 -57.1 -44.7 -31.8 3.3 -26.7 8 12 A A H X S+ 0 0 45 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.862 110.2 50.8 -61.9 -39.2 -33.8 2.0 -29.7 9 13 A L H X S+ 0 0 34 -4,-2.2 4,-1.6 2,-0.2 6,-0.2 0.918 110.9 47.9 -67.8 -45.0 -30.7 0.6 -31.4 10 14 A L H <>S+ 0 0 8 -4,-2.5 5,-2.9 2,-0.2 3,-0.4 0.957 113.8 47.9 -58.4 -50.2 -29.5 -1.3 -28.3 11 15 A E H ><5S+ 0 0 139 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.916 108.7 53.4 -59.5 -45.5 -33.0 -2.7 -27.8 12 16 A R H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.9 43.0 -60.4 -33.7 -33.4 -3.8 -31.5 13 17 A H T 3<5S- 0 0 49 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.319 114.0-114.2 -92.9 2.9 -30.0 -5.7 -31.3 14 18 A G T < 5 + 0 0 64 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.790 67.6 148.4 65.5 30.9 -30.8 -7.3 -27.8 15 19 A L < - 0 0 26 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.644 32.7-170.1-100.0 149.0 -27.9 -5.3 -26.3 16 20 A F - 0 0 123 -2,-0.3 2,-0.5 -3,-0.1 7,-0.0 -0.956 37.5-105.1-123.7 152.7 -27.4 -3.8 -22.9 17 21 A A - 0 0 26 -2,-0.3 2,-0.5 6,-0.0 5,-0.0 -0.705 40.9-147.3 -74.4 119.4 -24.7 -1.5 -21.9 18 22 A D > > - 0 0 34 -2,-0.5 5,-1.7 1,-0.1 3,-1.5 -0.860 14.3-156.7 -98.7 120.0 -22.3 -3.7 -19.9 19 23 A K G > 5S+ 0 0 174 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.752 92.6 69.4 -65.7 -24.2 -20.3 -2.1 -17.0 20 24 A R G 3 5S+ 0 0 199 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.725 109.0 37.5 -66.1 -19.2 -17.7 -4.9 -17.3 21 25 A F G < 5S- 0 0 48 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.266 111.8-120.0-109.8 8.4 -16.8 -3.1 -20.6 22 26 A G T < 5 - 0 0 10 -3,-1.3 2,-0.7 1,-0.2 94,-0.3 0.871 44.5-174.0 54.2 38.3 -17.4 0.5 -19.4 23 27 A Q < + 0 0 14 -5,-1.7 2,-0.3 92,-0.1 -1,-0.2 -0.543 24.6 145.6 -76.3 110.9 -20.0 0.9 -22.0 24 28 A N - 0 0 42 -2,-0.7 2,-0.3 89,-0.1 -1,-0.0 -0.889 34.7-151.5-140.9 105.9 -21.4 4.5 -22.3 25 29 A F E -A 181 0A 15 156,-2.6 156,-2.3 -2,-0.3 2,-0.1 -0.606 19.8-106.0 -91.6 139.8 -22.2 5.3 -25.9 26 30 A L E +A 180 0A 10 -2,-0.3 154,-0.2 154,-0.2 -24,-0.1 -0.394 33.7 178.5 -62.5 136.9 -22.2 8.8 -27.5 27 31 A V + 0 0 6 152,-2.5 2,-0.5 -26,-0.1 153,-0.2 0.223 53.0 81.3-126.2 4.1 -25.7 10.1 -28.0 28 32 A S > - 0 0 29 151,-0.5 4,-2.3 -26,-0.1 -26,-0.2 -0.951 52.4-164.2-126.6 115.1 -25.0 13.6 -29.5 29 33 A E H > S+ 0 0 72 -28,-1.0 4,-2.4 -2,-0.5 5,-0.1 0.832 94.5 55.8 -63.0 -35.5 -24.2 14.1 -33.2 30 34 A A H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 108.9 46.5 -64.2 -43.0 -23.0 17.6 -32.6 31 35 A H H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 109.8 54.0 -66.2 -41.6 -20.5 16.3 -30.0 32 36 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 108.5 50.0 -53.2 -47.3 -19.4 13.5 -32.5 33 37 A R H X S+ 0 0 167 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.902 109.2 51.2 -59.1 -41.8 -18.7 16.2 -35.1 34 38 A R H X S+ 0 0 118 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.883 108.4 51.7 -66.7 -36.5 -16.6 18.2 -32.6 35 39 A I H X S+ 0 0 2 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.950 111.7 46.9 -63.1 -47.4 -14.5 15.2 -31.7 36 40 A V H >X S+ 0 0 5 -4,-2.3 3,-0.9 1,-0.2 4,-0.8 0.919 111.1 51.0 -59.8 -45.4 -13.8 14.5 -35.4 37 41 A E H >< S+ 0 0 98 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.885 105.8 56.2 -61.1 -38.7 -12.9 18.2 -36.0 38 42 A A H 3< S+ 0 0 10 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.724 106.1 52.4 -64.0 -23.5 -10.5 18.1 -33.1 39 43 A A H << S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.587 91.5 148.9 -92.3 -13.2 -8.7 15.2 -34.7 40 44 A R << + 0 0 103 -3,-0.9 2,-0.1 -4,-0.8 -3,-0.0 -0.290 35.8 52.7 -68.9 152.6 -8.1 16.7 -38.1 41 45 A P - 0 0 79 0, 0.0 2,-1.8 0, 0.0 3,-0.2 0.588 68.3-148.3 -84.3 153.6 -6.1 16.6 -40.3 42 46 A F + 0 0 45 1,-0.2 -2,-0.1 21,-0.2 4,-0.1 -0.589 36.6 155.4 -87.2 80.0 -5.9 12.9 -40.8 43 47 A T + 0 0 105 -2,-1.8 -1,-0.2 2,-0.1 65,-0.1 0.553 65.9 21.6 -84.7 -9.8 -2.3 12.8 -41.8 44 48 A G S S- 0 0 15 -3,-0.2 22,-0.3 22,-0.0 64,-0.1 -0.886 104.2 -62.4-146.7 173.4 -1.9 9.2 -40.7 45 49 A P - 0 0 31 0, 0.0 64,-3.0 0, 0.0 2,-0.4 -0.311 52.3-129.5 -62.8 147.2 -4.0 6.1 -40.1 46 50 A V E -bc 67 109B 0 20,-3.2 22,-2.5 62,-0.2 2,-0.5 -0.844 15.8-162.5-102.3 133.6 -6.6 6.4 -37.4 47 51 A F E -bc 68 110B 8 62,-3.0 64,-2.4 -2,-0.4 2,-0.5 -0.973 4.7-168.0-110.0 129.5 -7.0 3.9 -34.6 48 52 A E E -b 69 0B 2 20,-3.0 22,-2.9 -2,-0.5 2,-0.5 -0.978 6.0-157.8-115.5 124.9 -10.3 3.9 -32.6 49 53 A V E S+b 70 0B 3 -2,-0.5 64,-0.3 1,-0.2 22,-0.2 -0.893 77.1 13.1-101.1 123.6 -10.4 1.9 -29.4 50 54 A G + 0 0 18 20,-3.0 63,-0.3 -2,-0.5 -1,-0.2 0.961 62.6 179.5 81.0 58.2 -14.0 1.0 -28.4 51 55 A P > + 0 0 6 0, 0.0 3,-2.6 0, 0.0 4,-0.4 0.739 17.5 177.7 -65.1 -22.1 -16.1 1.8 -31.4 52 56 A G T 3 S- 0 0 4 1,-0.3 28,-0.1 2,-0.2 -2,-0.1 -0.386 71.9 -3.4 65.1-115.1 -19.2 0.6 -29.5 53 57 A L T 3 S- 0 0 13 -2,-0.4 -1,-0.3 -3,-0.2 30,-0.1 0.444 105.1-109.3 -92.8 -3.5 -22.3 1.1 -31.8 54 58 A G S <> S+ 0 0 0 -3,-2.6 4,-3.0 -4,-0.1 5,-0.2 0.588 76.9 132.8 94.0 14.5 -20.0 2.7 -34.4 55 59 A A H > S+ 0 0 28 -4,-0.4 4,-1.6 1,-0.2 5,-0.1 0.921 80.8 35.4 -66.5 -46.5 -21.2 6.4 -34.2 56 60 A L H > S+ 0 0 6 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.862 115.5 57.9 -71.7 -35.5 -17.7 7.9 -34.0 57 61 A T H > S+ 0 0 0 -6,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.947 107.5 46.5 -60.7 -47.3 -16.4 5.3 -36.4 58 62 A R H X S+ 0 0 99 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.923 112.8 49.8 -61.5 -41.5 -18.9 6.3 -39.1 59 63 A A H X S+ 0 0 18 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.895 111.3 48.9 -67.1 -40.7 -18.2 10.0 -38.6 60 64 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 -1,-0.2 0.926 112.4 48.0 -59.5 -44.0 -14.4 9.5 -38.9 61 65 A L H ><5S+ 0 0 20 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.898 109.4 52.2 -67.4 -39.6 -14.9 7.4 -42.0 62 66 A E H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.6 56.5 -66.9 -27.7 -17.2 10.0 -43.5 63 67 A A T 3<5S- 0 0 23 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.358 126.5-101.6 -81.3 0.2 -14.5 12.7 -42.8 64 68 A G T < 5 + 0 0 61 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.490 69.6 149.8 95.2 4.1 -12.0 10.6 -44.8 65 69 A A < - 0 0 8 -5,-2.2 2,-0.7 -6,-0.1 -1,-0.3 -0.363 48.6-130.0 -66.5 147.3 -10.0 8.9 -42.0 66 70 A E - 0 0 149 -22,-0.3 -20,-3.2 -2,-0.1 2,-0.4 -0.924 41.1-157.9 -97.2 106.9 -8.5 5.4 -42.7 67 71 A V E -bd 46 89B 6 -2,-0.7 23,-2.4 21,-0.5 2,-0.5 -0.773 32.6-176.2-109.0 132.0 -9.8 3.6 -39.6 68 72 A T E -bd 47 90B 17 -22,-2.5 -20,-3.0 -2,-0.4 2,-0.5 -0.996 21.4-163.9-108.4 125.6 -8.8 0.5 -37.6 69 73 A A E -bd 48 91B 0 21,-3.1 23,-3.0 -2,-0.5 2,-0.6 -0.952 3.8-161.4-119.0 123.0 -11.4 0.0 -34.8 70 74 A I E +bd 49 92B 3 -22,-2.9 -20,-3.0 -2,-0.5 2,-0.4 -0.917 14.0 174.3-112.6 116.3 -10.6 -2.3 -31.9 71 75 A E E - d 0 93B 14 21,-2.6 23,-1.0 -2,-0.6 24,-0.1 -0.974 21.5-166.1-125.8 130.9 -13.5 -3.6 -29.9 72 76 A K S S+ 0 0 93 -2,-0.4 2,-1.2 21,-0.2 23,-0.1 0.787 71.0 83.0 -85.3 -28.8 -13.4 -6.2 -27.0 73 77 A D > - 0 0 8 1,-0.2 3,-2.2 21,-0.1 4,-0.2 -0.634 58.0-168.7 -85.1 102.6 -17.1 -6.9 -26.8 74 78 A L G > S+ 0 0 102 -2,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.737 80.9 73.8 -59.6 -22.5 -17.9 -9.5 -29.5 75 79 A R G 3 S+ 0 0 98 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.727 88.0 64.3 -63.9 -20.9 -21.7 -9.0 -28.9 76 80 A L G <> S+ 0 0 1 -3,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.507 74.0 95.0 -80.7 -4.3 -21.2 -5.6 -30.7 77 81 A R H <> S+ 0 0 105 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 0.936 82.9 47.7 -56.8 -50.8 -20.3 -7.3 -34.0 78 82 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.928 114.7 44.7 -57.8 -47.0 -23.8 -7.3 -35.6 79 83 A V H > S+ 0 0 1 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.907 113.9 51.1 -65.0 -37.0 -24.6 -3.6 -34.7 80 84 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.936 109.8 48.8 -66.1 -42.9 -21.1 -2.6 -35.9 81 85 A E H < S+ 0 0 116 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.878 114.7 47.0 -62.1 -34.9 -21.5 -4.4 -39.2 82 86 A E H >< S+ 0 0 81 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.949 114.2 44.9 -70.0 -50.8 -24.9 -2.7 -39.7 83 87 A T H 3< S+ 0 0 28 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.892 120.5 40.4 -58.7 -40.0 -23.7 0.8 -38.8 84 88 A L T >< S+ 0 0 7 -4,-2.6 3,-2.5 -5,-0.2 -1,-0.2 0.213 80.7 147.8 -99.2 10.4 -20.6 0.6 -40.9 85 89 A S T < S+ 0 0 93 -3,-1.1 -3,-0.1 1,-0.3 -4,-0.0 -0.253 74.3 10.2 -49.4 128.6 -22.2 -1.3 -43.9 86 90 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.342 104.2 114.9 85.7 -4.7 -20.5 -0.2 -47.1 87 91 A L S < S- 0 0 59 -3,-2.5 2,-0.8 2,-0.0 -1,-0.2 -0.809 70.0-119.1-109.5 140.6 -17.7 1.6 -45.4 88 92 A P + 0 0 108 0, 0.0 -21,-0.5 0, 0.0 2,-0.3 -0.647 55.2 139.1 -79.7 108.7 -14.0 0.7 -45.5 89 93 A V E -d 67 0B 37 -2,-0.8 2,-0.9 -23,-0.1 -21,-0.2 -0.990 52.2-129.8-148.0 142.6 -12.9 -0.1 -41.9 90 94 A R E -d 68 0B 131 -23,-2.4 -21,-3.1 -2,-0.3 2,-0.6 -0.878 27.5-163.8 -91.0 104.2 -10.7 -2.7 -40.3 91 95 A L E -d 69 0B 49 -2,-0.9 2,-0.5 -23,-0.2 -21,-0.2 -0.839 7.1-173.3 -89.3 125.3 -12.8 -4.0 -37.4 92 96 A V E -d 70 0B 17 -23,-3.0 -21,-2.6 -2,-0.6 2,-0.9 -0.975 15.5-152.0-122.3 119.3 -10.6 -5.9 -34.9 93 97 A F E +d 71 0B 45 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.2 -0.848 52.4 109.2 -97.8 105.2 -12.3 -7.9 -32.0 94 98 A Q S S- 0 0 63 -23,-1.0 2,-0.5 -2,-0.9 -21,-0.1 -0.961 78.2 -89.1-167.5 151.3 -9.6 -7.8 -29.3 95 99 A D > - 0 0 38 -2,-0.3 3,-1.9 -23,-0.1 4,-0.3 -0.683 37.7-143.3 -67.7 120.7 -8.8 -6.4 -25.9 96 100 A A G > S+ 0 0 5 -2,-0.5 3,-0.8 1,-0.3 5,-0.2 0.737 96.4 69.0 -64.0 -21.9 -7.0 -3.1 -26.9 97 101 A L G 3 S+ 0 0 58 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.678 104.3 44.5 -67.0 -15.9 -4.6 -3.6 -24.0 98 102 A L G < S+ 0 0 121 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.389 85.3 117.7-106.8 -3.8 -3.2 -6.6 -25.9 99 103 A Y S < S- 0 0 15 -3,-0.8 2,-2.2 -4,-0.3 3,-0.2 -0.388 79.1-110.3 -64.8 142.2 -3.0 -4.9 -29.3 100 104 A P > + 0 0 62 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.459 51.3 163.8 -76.0 72.3 0.6 -4.6 -30.7 101 105 A W G > + 0 0 0 -2,-2.2 3,-1.6 1,-0.3 30,-0.1 0.765 63.5 68.7 -61.3 -29.6 0.8 -0.8 -30.4 102 106 A E G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.2 -3,-0.0 0.635 99.1 52.9 -69.4 -12.5 4.6 -0.7 -30.7 103 107 A E G < S+ 0 0 139 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.322 77.6 118.2-106.8 4.3 4.2 -1.7 -34.4 104 108 A V S < S- 0 0 4 -3,-1.6 3,-0.1 1,-0.1 4,-0.1 -0.406 79.0 -85.5 -67.0 150.6 1.6 0.9 -35.6 105 109 A P > - 0 0 69 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.278 47.4-102.1 -55.1 137.5 2.9 3.2 -38.4 106 110 A Q T 3 S+ 0 0 128 1,-0.3 26,-0.2 -3,-0.1 25,-0.1 -0.431 112.4 35.7 -54.6 131.4 4.8 6.3 -37.3 107 111 A G T 3 S+ 0 0 21 24,-2.6 -1,-0.3 1,-0.2 25,-0.2 0.469 84.6 150.3 96.9 4.8 2.4 9.2 -37.5 108 112 A S E < - 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0 0 12 -2,-0.3 4,-2.7 29,-0.1 29,-0.3 -0.368 43.9-102.8 -66.4 161.3 35.7 22.2 -64.7 484 223 B L H > S+ 0 0 1 27,-2.9 4,-2.5 1,-0.2 5,-0.3 0.905 121.5 54.1 -56.7 -44.4 37.6 23.0 -61.5 485 224 B L H > S+ 0 0 15 26,-0.5 4,-2.0 24,-0.3 -1,-0.2 0.928 114.4 40.1 -51.8 -49.6 40.9 23.4 -63.4 486 225 B N H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.848 113.7 54.2 -74.5 -32.3 39.4 26.0 -65.8 487 226 B A H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.908 112.8 43.1 -65.1 -46.0 37.4 27.7 -63.0 488 227 B L H <>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 4,-0.3 0.879 110.7 54.7 -68.4 -38.2 40.5 28.3 -60.8 489 228 B A H ><5S+ 0 0 32 -4,-2.0 3,-1.6 -5,-0.3 -2,-0.2 0.927 105.8 53.7 -60.7 -41.6 42.6 29.4 -63.8 490 229 B A H 3<5S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.821 104.6 55.5 -60.9 -32.8 39.9 32.0 -64.6 491 230 B A T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.415 130.2 -91.6 -82.0 -0.9 40.2 33.3 -61.0 492 231 B G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 1,-0.4 -2,-0.1 0.348 80.3 137.5 110.6 -6.1 44.0 33.8 -61.3 493 232 B Y < - 0 0 59 -5,-2.0 -1,-0.4 1,-0.1 2,-0.1 -0.589 66.2-104.3 -71.0 129.2 45.5 30.5 -60.1 494 233 B P > - 0 0 83 0, 0.0 4,-2.3 0, 0.0 3,-0.2 -0.406 24.5-141.0 -59.5 129.8 48.3 29.5 -62.5 495 234 B K H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.823 99.2 52.6 -67.7 -36.0 47.1 26.7 -64.8 496 235 B A H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 111.2 47.8 -64.3 -38.0 50.3 24.7 -64.8 497 236 B R H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.940 112.1 48.1 -67.9 -50.5 50.3 24.7 -60.9 498 237 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.867 112.7 50.1 -57.3 -41.2 46.7 23.6 -60.6 499 238 B E H X S+ 0 0 91 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.896 113.4 44.5 -61.7 -46.1 47.2 20.8 -63.2 500 239 B E H X S+ 0 0 95 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.874 112.5 52.3 -65.2 -40.2 50.3 19.5 -61.4 501 240 B A H X S+ 0 0 8 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.895 111.2 45.9 -67.5 -41.9 48.6 19.8 -58.1 502 241 B L H <>S+ 0 0 3 -4,-2.4 5,-2.4 2,-0.2 -1,-0.2 0.895 113.2 49.9 -66.8 -40.6 45.6 17.8 -59.2 503 242 B R H ><5S+ 0 0 156 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.938 111.5 49.8 -60.3 -40.8 47.9 15.2 -60.9 504 243 B A H 3<5S+ 0 0 63 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.727 110.0 50.8 -73.2 -23.5 50.0 15.0 -57.5 505 244 B L T 3<5S- 0 0 71 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.272 117.0-113.3 -96.8 10.5 46.8 14.5 -55.5 506 245 B G T < 5 + 0 0 71 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.637 66.4 149.6 70.8 15.5 45.5 11.7 -57.8 507 246 B L < - 0 0 45 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.628 53.0 -98.5 -86.5 149.9 42.6 13.8 -59.0 508 247 B P > - 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.159 28.5-124.3 -67.4 145.5 41.0 13.6 -62.5 509 248 B P T 3 S+ 0 0 107 0, 0.0 -24,-0.3 0, 0.0 -7,-0.1 0.898 110.1 37.2 -58.9 -40.1 42.1 16.2 -65.1 510 249 B R T 3 S+ 0 0 176 -26,-0.1 -26,-0.1 -25,-0.1 -3,-0.0 -0.009 84.7 150.9-101.0 28.7 38.5 17.5 -65.7 511 250 B V < - 0 0 3 -3,-1.5 -27,-2.9 -28,-0.1 -26,-0.5 -0.248 39.6-129.0 -59.5 145.7 37.1 17.2 -62.1 512 251 B R > - 0 0 75 -29,-0.3 3,-2.0 -28,-0.1 4,-0.3 -0.693 17.2-116.7 -99.2 153.2 34.3 19.6 -61.0 513 252 B A G > S+ 0 0 3 -31,-0.4 3,-1.6 -37,-0.3 -36,-0.1 0.850 112.3 60.3 -52.1 -41.2 34.3 21.7 -57.9 514 253 B E G 3 S+ 0 0 52 1,-0.3 -97,-2.5 -38,-0.1 -1,-0.3 0.536 92.9 66.9 -70.8 -7.4 31.3 19.9 -56.4 515 254 B E G < S+ 0 0 78 -3,-2.0 2,-0.5 -99,-0.2 -1,-0.3 0.589 86.1 86.6 -85.0 -12.8 33.1 16.6 -56.5 516 255 B L < - 0 0 2 -3,-1.6 -99,-0.1 -4,-0.3 2,-0.1 -0.795 63.0-153.0 -99.7 128.9 35.6 17.7 -53.7 517 256 B D > - 0 0 71 -2,-0.5 4,-2.3 -101,-0.1 5,-0.2 -0.219 41.0 -89.4 -81.0 177.1 35.0 17.4 -50.0 518 257 B L H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.911 127.3 53.0 -54.9 -48.5 36.6 19.6 -47.4 519 258 B E H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 109.4 49.4 -55.8 -42.7 39.6 17.4 -47.0 520 259 B A H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 111.5 48.5 -66.1 -42.3 40.2 17.5 -50.8 521 260 B F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.915 110.7 51.4 -63.0 -41.3 40.0 21.3 -50.8 522 261 B R H X S+ 0 0 117 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.927 112.4 45.9 -58.0 -47.6 42.4 21.6 -47.9 523 262 B R H X S+ 0 0 111 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.871 111.7 51.7 -65.2 -39.4 44.9 19.3 -49.7 524 263 B L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.911 107.5 53.0 -62.6 -43.3 44.5 21.2 -52.9 525 264 B R H X S+ 0 0 45 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.921 109.0 48.6 -56.9 -48.0 45.1 24.6 -51.2 526 265 B E H < S+ 0 0 136 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.875 109.1 54.8 -61.1 -38.6 48.3 23.3 -49.7 527 266 B G H < S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.828 105.7 51.6 -63.2 -35.3 49.4 22.0 -53.1 528 267 B L H < 0 0 27 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.747 360.0 360.0 -75.8 -23.9 48.9 25.4 -54.7 529 268 B E < 0 0 158 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.650 360.0 360.0 -98.8 360.0 51.1 27.1 -52.0 530 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 531 4 C L 0 0 144 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.3 29.1 52.1 4.2 532 5 C A + 0 0 11 4,-0.1 28,-0.9 54,-0.1 26,-0.1 -0.562 360.0 143.5 -65.7 126.9 27.2 51.0 1.0 533 6 C S > - 0 0 41 -2,-0.3 4,-2.8 26,-0.2 5,-0.3 -0.953 65.9-102.0-156.0 159.3 29.6 52.0 -1.9 534 7 C P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.921 124.6 47.0 -52.9 -40.7 30.5 50.4 -5.2 535 8 C Q H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.916 113.7 45.9 -67.4 -42.9 33.7 49.2 -3.6 536 9 C S H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 112.7 49.9 -72.2 -35.0 32.1 47.8 -0.5 537 10 C V H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.948 112.2 47.2 -69.6 -46.2 29.3 46.0 -2.3 538 11 C R H X S+ 0 0 147 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.925 114.7 47.9 -55.7 -43.9 31.8 44.4 -4.8 539 12 C A H X S+ 0 0 42 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.861 110.7 51.0 -70.5 -36.3 34.0 43.4 -1.8 540 13 C L H X S+ 0 0 34 -4,-2.2 4,-1.7 2,-0.2 6,-0.2 0.917 110.4 48.2 -66.3 -46.6 31.0 42.0 0.2 541 14 C L H <>S+ 0 0 8 -4,-2.6 5,-2.9 2,-0.2 4,-0.4 0.958 113.2 48.3 -57.1 -48.9 29.8 39.8 -2.7 542 15 C E H ><5S+ 0 0 132 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.919 108.5 53.2 -61.7 -41.4 33.3 38.5 -3.3 543 16 C R H 3<5S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.852 113.4 44.0 -64.4 -34.3 33.8 37.6 0.4 544 17 C H T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.348 114.9-115.3 -92.2 7.0 30.6 35.6 0.4 545 18 C G T < 5 + 0 0 66 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.2 0.804 68.7 142.6 65.8 29.4 31.3 33.9 -2.9 546 19 C L < - 0 0 29 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.651 35.5-167.2-101.8 153.7 28.3 35.7 -4.5 547 20 C F - 0 0 117 -2,-0.2 2,-0.4 -3,-0.1 -9,-0.0 -0.983 38.9-101.8-131.3 147.6 27.8 37.1 -7.9 548 21 C A - 0 0 23 -2,-0.4 2,-0.7 1,-0.1 5,-0.1 -0.548 43.3-143.0 -68.5 122.5 24.8 39.3 -8.9 549 22 C D > > - 0 0 22 -2,-0.4 3,-1.8 1,-0.1 5,-1.6 -0.840 15.5-158.3-102.2 116.6 22.5 36.9 -10.7 550 23 C K G > 5S+ 0 0 129 -2,-0.7 3,-1.5 1,-0.3 -1,-0.1 0.772 92.0 66.8 -57.5 -29.7 20.5 38.1 -13.7 551 24 C R G 3 5S+ 0 0 78 1,-0.3 -1,-0.3 2,-0.1 -222,-0.0 0.664 108.2 41.0 -72.8 -11.1 17.9 35.3 -13.3 552 25 C F G < 5S- 0 0 48 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.278 112.5-118.6-108.1 5.1 17.0 37.0 -10.0 553 26 C G T < 5 - 0 0 9 -3,-1.5 2,-0.7 1,-0.2 94,-0.3 0.885 47.1-176.4 59.6 37.1 17.1 40.6 -11.4 554 27 C Q < + 0 0 16 -5,-1.6 2,-0.3 92,-0.1 -1,-0.2 -0.591 22.9 146.6 -78.3 110.9 19.9 41.4 -8.8 555 28 C N - 0 0 41 -2,-0.7 2,-0.2 -3,-0.2 -1,-0.0 -0.894 32.9-153.7-137.4 109.7 21.1 45.0 -8.8 556 29 C F E -O 712 0E 16 156,-2.8 156,-2.7 -2,-0.3 2,-0.1 -0.605 20.0-105.7 -96.3 147.1 22.1 46.1 -5.4 557 30 C L E +O 711 0E 9 -2,-0.2 154,-0.2 154,-0.2 -24,-0.1 -0.434 32.2 178.1 -69.3 136.1 22.0 49.6 -4.0 558 31 C V + 0 0 9 152,-2.3 2,-0.5 -26,-0.1 153,-0.1 0.099 53.7 84.6-122.9 17.2 25.5 51.2 -3.7 559 32 C S > - 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0 0 57 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.3 -0.643 67.0 -94.1 -78.0 145.7 -19.7 45.0 -24.8 760 233 C P > - 0 0 82 0, 0.0 4,-2.2 0, 0.0 3,-0.2 -0.506 34.6-149.7 -68.0 115.2 -23.0 45.8 -26.6 761 234 C K H > S+ 0 0 100 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.842 92.5 50.2 -57.3 -45.5 -22.0 48.2 -29.4 762 235 C A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 112.2 48.9 -60.6 -43.2 -25.3 50.2 -29.5 763 236 C R H > S+ 0 0 103 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.887 111.3 48.7 -62.5 -42.7 -25.2 50.7 -25.7 764 237 C V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.952 111.2 50.2 -64.3 -48.3 -21.6 51.9 -25.8 765 238 C E H X S+ 0 0 109 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.911 113.3 47.2 -52.7 -44.9 -22.4 54.3 -28.6 766 239 C E H X S+ 0 0 85 -4,-2.2 4,-3.7 2,-0.2 -1,-0.2 0.889 111.2 49.5 -65.1 -44.8 -25.4 55.6 -26.6 767 240 C A H X S+ 0 0 8 -4,-2.5 4,-1.9 2,-0.2 6,-0.2 0.890 111.7 48.8 -63.8 -42.4 -23.4 56.0 -23.4 768 241 C L H <>S+ 0 0 3 -4,-2.9 5,-2.5 2,-0.2 4,-0.2 0.931 114.7 46.2 -60.9 -47.9 -20.6 57.9 -25.2 769 242 C R H ><5S+ 0 0 161 -4,-2.4 3,-2.2 -5,-0.2 -2,-0.2 0.972 112.8 49.2 -53.3 -58.9 -23.3 60.1 -26.8 770 243 C A H 3<5S+ 0 0 81 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 111.1 50.5 -56.3 -31.7 -25.1 60.7 -23.4 771 244 C L T 3<5S- 0 0 62 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.379 114.4-115.8 -89.3 1.9 -21.8 61.6 -21.7 772 245 C G T < 5 + 0 0 67 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.716 64.7 148.2 72.2 21.1 -20.9 64.1 -24.4 773 246 C L < - 0 0 36 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.666 56.4-100.8 -86.0 143.2 -17.8 62.1 -25.5 774 247 C P > - 0 0 72 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.346 30.1-120.9 -67.5 145.4 -16.8 62.3 -29.2 775 248 C P T 3 S+ 0 0 100 0, 0.0 -24,-0.3 0, 0.0 -6,-0.1 0.794 111.2 43.9 -60.6 -30.5 -17.9 59.2 -31.2 776 249 C R T 3 S+ 0 0 176 -26,-0.1 -26,-0.1 -27,-0.1 -24,-0.0 0.110 83.6 149.3 -99.8 18.4 -14.4 58.3 -32.2 777 250 C V < - 0 0 3 -3,-2.0 -27,-3.0 -28,-0.1 -26,-0.5 -0.166 38.7-136.0 -55.4 142.5 -12.8 58.9 -28.8 778 251 C R > - 0 0 73 -29,-0.2 3,-1.8 -28,-0.1 4,-0.4 -0.720 19.7-114.4 -99.0 155.7 -9.8 56.7 -27.9 779 252 C A G > S+ 0 0 3 -31,-0.4 3,-1.6 -37,-0.3 -36,-0.1 0.847 113.6 62.7 -53.7 -38.0 -9.3 54.9 -24.5 780 253 C E G 3 S+ 0 0 53 1,-0.3 -97,-2.3 -38,-0.1 -1,-0.3 0.611 94.5 61.5 -68.7 -12.8 -6.2 57.2 -23.9 781 254 C E G < S+ 0 0 77 -3,-1.8 2,-0.5 -99,-0.2 -1,-0.3 0.587 89.0 87.1 -88.2 -12.7 -8.4 60.3 -23.8 782 255 C L < - 0 0 1 -3,-1.6 -99,-0.1 -4,-0.4 2,-0.1 -0.793 61.9-156.4 -95.3 129.5 -10.4 59.1 -20.8 783 256 C D > - 0 0 76 -2,-0.5 4,-2.6 -101,-0.1 5,-0.2 -0.226 41.5 -86.7 -85.7-179.6 -9.4 59.8 -17.2 784 257 C L H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 128.1 48.3 -56.8 -46.9 -10.5 57.8 -14.2 785 258 C E H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 110.1 52.3 -61.2 -43.1 -13.7 59.8 -13.7 786 259 C A H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 111.0 48.1 -61.8 -45.1 -14.7 59.5 -17.4 787 260 C F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.901 110.9 50.0 -58.9 -42.7 -14.2 55.7 -17.1 788 261 C R H X S+ 0 0 91 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.909 112.7 46.9 -62.8 -40.5 -16.3 55.5 -13.9 789 262 C R H X S+ 0 0 98 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.853 111.5 51.8 -68.6 -37.0 -19.1 57.5 -15.5 790 263 C L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.922 109.9 48.5 -64.3 -45.9 -18.9 55.3 -18.7 791 264 C R H X S+ 0 0 47 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.964 112.0 49.4 -58.0 -47.6 -19.2 52.2 -16.6 792 265 C E H < S+ 0 0 130 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 112.0 49.5 -60.7 -40.6 -22.2 53.7 -14.7 793 266 C G H < S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 108.3 51.4 -63.2 -41.0 -23.8 54.6 -18.1 794 267 C L H < 0 0 25 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 360.0 360.0 -67.9 -30.5 -23.3 51.1 -19.6 795 268 C E < 0 0 157 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.638 360.0 360.0 -90.8 360.0 -24.9 49.4 -16.6