==== 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 31-AUG-00 1FPX . COMPND 2 MOLECULE: ISOFLAVONE-O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR C.ZUBIETA,R.A.DIXON,J.P.NOEL . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 2 1 2 2 2 1 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 0 1 1 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 1 0 0 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 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 8 A R 0 0 245 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.3 -16.4 -8.6 55.1 2 9 A K - 0 0 139 1,-0.3 4,-0.1 0, 0.0 2,-0.0 -0.433 360.0 -72.9-131.2-161.3 -15.1 -12.0 54.0 3 10 A P S > S- 0 0 84 0, 0.0 2,-1.8 0, 0.0 3,-1.4 -0.016 82.7 -48.0 -87.3-159.8 -11.7 -13.9 54.0 4 11 A S T 3> S+ 0 0 98 1,-0.3 4,-0.6 2,-0.2 0, 0.0 0.145 115.0 95.0 -63.0 28.4 -8.6 -13.2 51.9 5 12 A E H 3> + 0 0 82 -2,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.380 69.2 75.8 -93.3 0.0 -11.0 -13.1 48.9 6 13 A I H <> S+ 0 0 59 -3,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.877 89.3 54.1 -73.6 -39.7 -10.8 -9.4 49.8 7 14 A F H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 107.9 50.0 -61.5 -41.4 -7.3 -9.3 48.1 8 15 A K H X S+ 0 0 120 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.907 111.8 47.1 -64.2 -40.8 -8.8 -10.9 44.9 9 16 A A H X S+ 0 0 38 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.870 110.2 53.9 -68.1 -36.4 -11.6 -8.3 44.9 10 17 A Q H X S+ 0 0 83 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.915 106.1 51.9 -64.1 -41.7 -9.1 -5.5 45.5 11 18 A A H X S+ 0 0 58 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 111.1 48.7 -60.8 -42.1 -7.0 -6.7 42.5 12 19 A L H X S+ 0 0 88 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.926 110.6 49.8 -61.4 -49.0 -10.2 -6.6 40.4 13 20 A L H X S+ 0 0 102 -4,-2.7 4,-2.9 1,-0.2 3,-0.3 0.935 111.7 48.8 -57.4 -47.4 -11.1 -3.0 41.6 14 21 A Y H X S+ 0 0 115 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.881 103.9 59.4 -61.7 -39.2 -7.6 -1.8 40.8 15 22 A K H < S+ 0 0 152 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.5 38.0 -56.8 -37.2 -7.6 -3.4 37.3 16 23 A H H >< S+ 0 0 121 -4,-1.6 3,-1.0 -3,-0.3 4,-0.3 0.852 110.3 56.4 -85.5 -35.5 -10.7 -1.2 36.6 17 24 A I H 3< S+ 0 0 83 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.954 118.8 36.0 -58.5 -43.1 -9.7 2.0 38.4 18 25 A Y T >< S+ 0 0 117 -4,-2.3 3,-2.1 -5,-0.2 4,-0.4 0.278 81.2 110.3 -95.7 13.9 -6.5 2.0 36.3 19 26 A A T X> + 0 0 41 -3,-1.0 3,-2.0 1,-0.3 4,-1.0 0.812 65.9 72.7 -58.3 -30.5 -8.0 0.7 33.0 20 27 A F H 3> S+ 0 0 122 -3,-0.5 4,-2.9 -4,-0.3 -1,-0.3 0.760 84.6 68.5 -55.0 -25.8 -7.4 4.1 31.4 21 28 A I H <> S+ 0 0 65 -3,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.811 91.9 58.7 -66.0 -26.7 -3.7 3.3 31.4 22 29 A D H <> S+ 0 0 65 -3,-2.0 4,-1.8 -4,-0.4 -1,-0.2 0.958 112.2 41.0 -63.1 -46.1 -4.4 0.6 28.7 23 30 A S H X S+ 0 0 52 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.936 116.6 47.6 -67.2 -45.0 -5.8 3.4 26.5 24 31 A X H X S+ 0 0 76 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.807 110.9 50.2 -68.2 -32.3 -3.2 6.0 27.4 25 32 A S H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.869 111.2 49.6 -73.3 -37.2 -0.2 3.7 26.8 26 33 A L H X S+ 0 0 36 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.909 110.5 50.7 -65.1 -45.1 -1.6 2.6 23.4 27 34 A K H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.917 108.9 52.5 -58.4 -41.3 -2.1 6.3 22.5 28 35 A W H X S+ 0 0 51 -4,-1.9 4,-2.4 1,-0.2 6,-0.2 0.894 105.9 53.4 -60.9 -44.1 1.6 6.9 23.6 29 36 A A H <>S+ 0 0 2 -4,-2.2 5,-1.9 1,-0.2 4,-0.3 0.904 111.9 44.7 -61.6 -37.4 2.8 4.2 21.3 30 37 A V H ><5S+ 0 0 16 -4,-1.8 3,-1.2 3,-0.2 -2,-0.2 0.935 112.5 51.0 -70.4 -42.7 1.0 5.7 18.4 31 38 A E H 3<5S+ 0 0 121 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.817 109.3 50.4 -64.1 -34.2 2.2 9.2 19.2 32 39 A X T 3<5S- 0 0 57 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.527 110.1-128.3 -79.5 -8.9 5.9 8.1 19.5 33 40 A N T <>5 + 0 0 61 -3,-1.2 4,-1.9 -4,-0.3 -3,-0.2 0.769 56.3 150.5 67.0 30.5 5.4 6.4 16.1 34 41 A I H >< + 0 0 0 -5,-1.9 4,-2.6 -6,-0.2 5,-0.2 0.901 62.1 54.5 -62.5 -44.3 6.7 3.1 17.4 35 42 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.962 112.9 43.9 -56.6 -49.3 4.7 0.7 15.2 36 43 A N H > S+ 0 0 11 60,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.873 110.3 55.9 -64.4 -34.2 6.0 2.4 12.1 37 44 A I H X S+ 0 0 22 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.929 111.0 44.7 -63.0 -39.8 9.6 2.6 13.5 38 45 A I H X>S+ 0 0 6 -4,-2.6 4,-1.3 2,-0.2 5,-0.6 0.917 112.3 51.0 -70.2 -43.8 9.6 -1.2 14.0 39 46 A Q H ><5S+ 0 0 97 -4,-2.6 3,-0.8 -5,-0.2 -2,-0.2 0.946 112.0 47.5 -55.7 -51.2 8.1 -1.8 10.6 40 47 A N H 3<5S+ 0 0 131 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 104.0 61.4 -63.0 -27.0 10.8 0.3 9.0 41 48 A H H 3<5S- 0 0 57 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.814 96.8-144.6 -68.6 -33.1 13.5 -1.4 11.0 42 49 A G T <<5S+ 0 0 69 -4,-1.3 -3,-0.1 -3,-0.8 -2,-0.1 0.445 70.7 41.7 83.6 0.1 12.5 -4.7 9.3 43 50 A K S -A 86 0A 11 -2,-0.4 4,-2.9 40,-0.3 3,-0.3 -0.405 23.5-116.7 -76.4 154.3 16.4 -3.6 20.5 47 54 A L H > S+ 0 0 27 38,-2.0 4,-2.4 1,-0.2 5,-0.3 0.892 115.4 54.1 -54.6 -38.9 15.6 -1.3 23.4 48 55 A S H > S+ 0 0 53 37,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.898 111.8 41.7 -64.5 -39.9 18.9 0.5 22.7 49 56 A N H > S+ 0 0 76 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.857 112.6 56.2 -75.1 -36.3 18.1 1.2 19.1 50 57 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.968 112.1 39.4 -60.9 -53.8 14.5 2.1 19.8 51 58 A V H X>S+ 0 0 13 -4,-2.4 4,-1.7 1,-0.2 5,-1.0 0.779 112.8 59.2 -69.6 -21.9 15.4 4.8 22.4 52 59 A S H <5S+ 0 0 63 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.954 109.4 42.6 -67.9 -48.6 18.3 5.9 20.1 53 60 A I H <5S+ 0 0 91 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.924 116.2 48.3 -60.9 -45.5 15.7 6.5 17.3 54 61 A L H <5S- 0 0 32 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.771 95.4-145.4 -66.7 -25.5 13.3 8.2 19.7 55 62 A Q T <5 + 0 0 156 -4,-1.7 -3,-0.2 -5,-0.2 -4,-0.1 0.876 35.1 166.8 59.0 39.9 16.1 10.4 21.2 56 63 A V < - 0 0 31 -5,-1.0 -1,-0.2 1,-0.1 5,-0.1 -0.513 45.3 -92.5 -79.8 154.3 14.5 10.3 24.7 57 64 A P > - 0 0 77 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.355 33.0-116.0 -66.8 147.5 16.7 11.5 27.6 58 65 A S G > S+ 0 0 103 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.825 114.0 65.0 -55.7 -31.0 18.7 8.7 29.3 59 66 A S G 3 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.576 105.9 43.9 -66.9 -11.7 16.7 9.4 32.5 60 67 A K G <> S+ 0 0 115 -3,-2.5 4,-1.7 2,-0.1 -1,-0.2 0.348 83.2 95.0-115.7 3.3 13.6 8.2 30.7 61 68 A I H <> S+ 0 0 53 -3,-1.1 4,-2.6 -4,-0.5 5,-0.2 0.910 86.2 51.2 -60.8 -43.3 14.9 5.1 28.9 62 69 A G H > S+ 0 0 26 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.871 107.3 54.1 -62.1 -34.4 13.8 2.8 31.7 63 70 A N H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.854 106.8 51.4 -66.8 -35.9 10.3 4.4 31.5 64 71 A V H X S+ 0 0 7 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.946 110.1 49.7 -65.4 -46.3 10.2 3.6 27.8 65 72 A R H X S+ 0 0 73 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.925 109.6 50.8 -57.7 -43.8 11.1 -0.0 28.6 66 73 A R H X S+ 0 0 155 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.901 112.2 46.7 -63.2 -39.0 8.4 -0.3 31.3 67 74 A L H X S+ 0 0 56 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.914 111.3 51.4 -67.9 -42.0 5.8 1.1 28.9 68 75 A X H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.867 110.1 49.4 -64.5 -34.8 6.9 -1.3 26.1 69 76 A R H X S+ 0 0 113 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.881 110.7 49.6 -71.6 -37.5 6.7 -4.3 28.4 70 77 A Y H X S+ 0 0 89 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.916 113.1 46.6 -65.3 -46.4 3.2 -3.3 29.5 71 78 A L H <>S+ 0 0 1 -4,-2.7 5,-2.4 1,-0.2 4,-0.4 0.846 111.1 53.6 -65.3 -32.7 2.1 -2.9 25.8 72 79 A A H ><5S+ 0 0 14 -4,-2.1 3,-1.5 4,-0.2 5,-0.3 0.923 105.1 52.7 -66.9 -43.9 3.7 -6.2 24.9 73 80 A H H 3<5S+ 0 0 166 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 106.2 55.0 -63.1 -31.5 1.9 -8.0 27.7 74 81 A N T 3<5S- 0 0 63 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.625 126.0-101.5 -75.8 -11.1 -1.4 -6.5 26.2 75 82 A G T < 5S+ 0 0 34 -3,-1.5 17,-0.4 -4,-0.4 18,-0.3 0.513 93.2 110.3 107.6 7.5 -0.5 -8.0 22.9 76 83 A F S - 0 0 31 -14,-0.5 4,-1.8 -13,-0.1 5,-0.2 -0.769 38.9 -92.0-128.8 172.5 2.1 -8.4 16.4 91 98 A V H > S+ 0 0 110 -2,-0.3 4,-0.7 1,-0.2 -15,-0.1 0.891 126.8 54.1 -57.1 -38.9 -1.0 -8.5 14.2 92 99 A A H 4 S+ 0 0 36 -17,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.890 111.7 42.4 -64.5 -40.1 -2.7 -6.0 16.5 93 100 A S H >4 S+ 0 0 0 -18,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.702 102.9 66.6 -82.2 -14.1 0.1 -3.4 16.2 94 101 A E H >< S+ 0 0 96 -4,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.758 90.3 66.2 -71.5 -21.3 0.4 -4.1 12.4 95 102 A L T 3< S+ 0 0 65 -4,-0.7 9,-3.1 -3,-0.5 10,-0.5 0.545 99.1 54.8 -72.9 -4.7 -3.1 -2.5 12.4 96 103 A L T < S+ 0 0 15 -3,-1.4 2,-0.4 7,-0.2 -1,-0.2 0.486 82.7 107.3-106.5 -2.8 -1.2 0.6 13.5 97 104 A V S X S- 0 0 10 -3,-1.2 3,-1.5 5,-0.2 8,-0.1 -0.646 76.9-108.6 -84.8 123.6 1.4 0.7 10.6 98 105 A R T 3 S+ 0 0 169 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.114 96.5 5.3 -48.4 139.7 0.9 3.4 8.0 99 106 A G T 3 S+ 0 0 76 1,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.771 89.5 137.8 55.9 27.0 -0.3 2.3 4.6 100 107 A S S < S- 0 0 39 -3,-1.5 3,-0.3 -6,-0.1 -1,-0.1 -0.438 76.1 -93.0 -86.7 175.3 -0.8 -1.2 5.7 101 108 A D S S+ 0 0 172 1,-0.3 2,-0.6 -2,-0.2 66,-0.1 0.950 117.4 21.3 -57.7 -54.7 -4.0 -2.6 4.3 102 109 A L S S+ 0 0 44 -8,-0.1 2,-0.6 64,-0.1 -1,-0.3 -0.960 76.7 179.3-116.6 108.1 -6.2 -1.7 7.3 103 110 A C + 0 0 26 -2,-0.6 -7,-0.2 60,-0.5 -8,-0.1 -0.947 8.7 173.5-115.5 113.7 -4.5 1.1 9.4 104 111 A L >> + 0 0 37 -9,-3.1 4,-1.5 -2,-0.6 3,-1.3 0.269 46.0 109.0-102.8 8.7 -6.5 2.1 12.4 105 112 A A H 3> S+ 0 0 14 -10,-0.5 4,-2.1 1,-0.3 5,-0.2 0.879 75.3 59.4 -54.9 -38.3 -4.0 4.5 14.1 106 113 A P H 3> S+ 0 0 41 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.810 102.2 54.0 -62.4 -25.8 -6.2 7.5 13.1 107 114 A X H <> S+ 0 0 63 -3,-1.3 4,-2.7 2,-0.2 5,-0.4 0.927 105.7 52.9 -70.7 -42.9 -9.1 6.0 15.1 108 115 A V H X S+ 0 0 21 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.951 112.2 45.8 -57.7 -47.1 -6.8 5.7 18.2 109 116 A E H < S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.2 44.7 -67.5 -37.3 -5.9 9.4 17.9 110 117 A C H >< S+ 0 0 11 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.2 0.956 115.1 45.6 -70.4 -52.8 -9.3 10.7 17.4 111 118 A V H 3< S+ 0 0 75 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.863 113.7 50.4 -58.7 -39.4 -11.1 8.7 20.1 112 119 A L T 3< S+ 0 0 22 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.089 74.4 138.5 -92.7 21.3 -8.4 9.4 22.6 113 120 A D <>> - 0 0 30 -3,-1.4 4,-2.6 1,-0.1 5,-0.6 -0.445 62.7-122.4 -56.4 140.2 -8.4 13.2 22.1 114 121 A P H >5S+ 0 0 86 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.879 108.1 43.2 -57.6 -40.4 -8.2 14.7 25.6 115 122 A T H >5S+ 0 0 67 2,-0.2 4,-0.8 3,-0.2 -2,-0.0 0.920 118.6 42.3 -72.6 -43.4 -11.4 16.7 25.2 116 123 A L H >45S+ 0 0 10 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.957 121.5 38.2 -70.1 -49.9 -13.4 14.0 23.6 117 124 A S H ><5S+ 0 0 34 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.894 112.3 60.1 -69.6 -35.4 -12.3 11.1 25.8 118 125 A G H >< + 0 0 87 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 0.054 61.3 119.8-104.0 24.8 -19.2 13.7 33.0 123 130 A L H <> S+ 0 0 75 -3,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.905 77.2 54.9 -52.8 -39.6 -21.4 10.6 32.7 124 131 A K H > S+ 0 0 160 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.974 109.1 44.1 -62.3 -53.7 -23.2 11.7 35.9 125 132 A K H >4 S+ 0 0 110 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.936 115.7 50.7 -55.7 -44.1 -24.1 15.2 34.6 126 133 A W H >< S+ 0 0 49 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.866 101.8 58.3 -59.7 -40.9 -25.2 13.6 31.3 127 134 A I H 3< S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.757 106.1 51.9 -67.1 -18.1 -27.4 10.9 32.9 128 135 A Y T << S+ 0 0 181 -4,-1.1 2,-0.5 -3,-0.8 -1,-0.3 0.511 87.7 99.6 -92.5 -4.7 -29.4 13.7 34.5 129 136 A E < - 0 0 76 -3,-1.6 8,-0.0 -4,-0.3 5,-0.0 -0.709 60.6-155.7 -86.3 124.9 -29.9 15.6 31.2 130 137 A E S S+ 0 0 185 -2,-0.5 -1,-0.2 1,-0.1 -4,-0.0 0.881 89.7 5.0 -61.3 -41.4 -33.3 15.0 29.6 131 138 A D S S+ 0 0 132 2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.672 98.6 105.6-114.2 -38.8 -32.0 15.8 26.1 132 139 A L - 0 0 71 4,-0.1 2,-0.2 1,-0.1 -3,-0.1 -0.214 58.0-135.5 -60.1 145.5 -28.3 16.5 25.9 133 140 A T > - 0 0 31 173,-0.1 4,-1.6 1,-0.1 173,-0.2 -0.503 32.6-105.9 -84.3 160.1 -25.9 14.0 24.5 134 141 A L H > S+ 0 0 0 171,-2.2 4,-1.6 1,-0.2 3,-0.4 0.932 124.9 46.0 -57.9 -46.0 -22.7 13.4 26.5 135 142 A F H > S+ 0 0 16 171,-2.3 4,-2.9 170,-0.3 6,-0.4 0.843 107.2 59.7 -65.3 -29.0 -20.6 15.5 24.0 136 143 A G H > S+ 0 0 10 170,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.823 105.0 50.2 -66.1 -29.9 -23.4 18.1 24.1 137 144 A V H < S+ 0 0 21 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.899 120.4 33.1 -69.7 -44.7 -22.7 18.5 27.8 138 145 A T H < S+ 0 0 45 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.776 119.3 44.8 -88.3 -29.5 -19.0 18.9 27.5 139 146 A L H < S- 0 0 27 -4,-2.9 -3,-0.2 2,-0.3 -1,-0.1 0.595 96.2-126.4 -96.0 -12.0 -18.4 20.7 24.2 140 147 A G S < S+ 0 0 70 -4,-0.6 2,-0.3 -5,-0.3 -4,-0.1 0.672 84.1 46.7 76.6 15.3 -21.1 23.4 24.6 141 148 A S S S- 0 0 39 -6,-0.4 -2,-0.3 -5,-0.1 -1,-0.1 -0.928 101.4 -70.4-170.0 167.5 -22.8 22.6 21.2 142 149 A G > - 0 0 35 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.322 49.9-113.0 -65.1 154.7 -23.9 19.6 19.3 143 150 A F H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 113.4 51.0 -60.1 -43.6 -21.1 17.5 17.9 144 151 A W H > S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.900 112.4 46.7 -66.4 -36.5 -21.7 18.2 14.2 145 152 A D H > S+ 0 0 92 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.878 109.2 55.8 -68.4 -36.8 -21.8 21.9 14.8 146 153 A F H >X S+ 0 0 20 -4,-2.4 4,-1.1 1,-0.2 3,-0.6 0.906 105.3 51.2 -59.9 -42.1 -18.6 21.6 16.9 147 154 A L H 3< S+ 0 0 3 -4,-2.1 3,-0.4 1,-0.2 7,-0.4 0.882 105.7 57.2 -64.4 -32.4 -16.8 19.9 14.0 148 155 A D H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.761 112.3 40.6 -69.1 -25.0 -18.0 22.8 11.8 149 156 A K H << S+ 0 0 174 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.528 111.8 57.2 -99.1 -9.4 -16.2 25.3 14.2 150 157 A N >X - 0 0 58 -4,-1.1 4,-2.4 -3,-0.4 3,-0.9 -0.770 60.0-174.7-130.0 86.5 -13.0 23.2 14.9 151 158 A P H 3> S+ 0 0 93 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.831 84.7 53.2 -46.2 -46.8 -11.1 22.4 11.7 152 159 A E H 3> S+ 0 0 168 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.857 112.2 45.9 -62.9 -33.7 -8.5 20.2 13.4 153 160 A Y H <> S+ 0 0 43 -3,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.872 110.0 53.6 -74.0 -39.0 -11.3 18.1 15.0 154 161 A N H X S+ 0 0 42 -4,-2.4 4,-2.8 -7,-0.4 -2,-0.2 0.940 112.5 45.2 -58.9 -45.9 -13.2 17.9 11.8 155 162 A T H X S+ 0 0 74 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.926 111.7 51.0 -64.4 -45.1 -10.0 16.5 10.1 156 163 A S H X S+ 0 0 32 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.924 112.6 47.5 -56.6 -47.2 -9.2 14.1 13.0 157 164 A F H X S+ 0 0 24 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.946 111.0 50.8 -61.8 -49.4 -12.8 12.8 12.7 158 165 A N H X S+ 0 0 54 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.878 110.4 49.1 -57.7 -40.9 -12.6 12.4 8.9 159 166 A D H X S+ 0 0 86 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.847 110.1 51.6 -67.1 -34.5 -9.4 10.5 9.2 160 167 A A H >X S+ 0 0 9 -4,-2.0 4,-0.5 -54,-0.3 3,-0.5 0.939 111.0 47.2 -67.3 -43.7 -10.8 8.2 11.8 161 168 A X H >< S+ 0 0 31 -4,-2.5 3,-0.6 1,-0.2 4,-0.2 0.864 111.4 52.6 -63.2 -33.6 -13.9 7.5 9.6 162 169 A A H >X S+ 0 0 43 -4,-1.9 3,-0.9 1,-0.2 4,-0.6 0.726 89.2 82.9 -73.1 -23.9 -11.6 6.9 6.6 163 170 A S H << S+ 0 0 18 -4,-1.2 -60,-0.5 -3,-0.5 -1,-0.2 0.817 106.4 20.8 -57.3 -37.6 -9.5 4.4 8.5 164 171 A D T S+ 0 0 8 -3,-0.9 4,-3.3 -4,-0.2 5,-0.3 0.879 73.5 57.6 -65.0 -43.3 -13.6 2.7 4.9 166 173 A K H X S+ 0 0 153 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.940 109.4 45.9 -53.1 -49.4 -11.6 0.8 2.3 167 174 A L H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 118.0 41.4 -60.7 -43.7 -12.7 -2.6 3.9 168 175 A I H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.911 114.5 49.3 -74.5 -43.5 -16.3 -1.7 4.3 169 176 A N H X S+ 0 0 1 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.898 111.8 49.5 -66.4 -35.6 -16.7 0.1 1.0 170 177 A L H X S+ 0 0 73 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.895 111.2 49.9 -69.7 -36.3 -15.2 -2.9 -0.9 171 178 A A H < S+ 0 0 21 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.927 112.6 48.3 -64.6 -41.9 -17.4 -5.3 1.0 172 179 A L H >< S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.924 108.7 51.2 -64.1 -44.2 -20.4 -3.2 0.1 173 180 A R H 3< S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.782 103.5 59.8 -69.4 -25.0 -19.6 -2.9 -3.5 174 181 A D T 3< S+ 0 0 111 -4,-1.4 2,-1.5 -5,-0.2 -1,-0.3 0.475 82.2 96.3 -75.6 -5.9 -19.2 -6.6 -3.8 175 182 A C X> + 0 0 20 -3,-1.8 3,-1.5 -4,-0.2 4,-1.1 -0.630 49.8 177.3 -85.4 83.6 -22.8 -7.0 -2.7 176 183 A D H 3> S+ 0 0 93 -2,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.842 74.0 66.0 -57.5 -32.6 -24.6 -7.4 -6.0 177 184 A F H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.798 101.1 52.4 -61.1 -25.8 -28.0 -7.9 -4.4 178 185 A V H <4 S+ 0 0 1 -3,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 0.930 119.1 31.0 -73.7 -41.3 -27.7 -4.4 -3.1 179 186 A F H >< S+ 0 0 11 -4,-1.1 3,-1.8 -3,-0.1 -2,-0.2 0.607 83.7 121.9 -98.7 -11.8 -27.0 -2.7 -6.5 180 187 A D T 3< S+ 0 0 109 -4,-2.4 3,-0.1 1,-0.3 -3,-0.0 -0.264 87.3 2.1 -52.1 127.1 -28.9 -4.9 -8.9 181 188 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.293 94.4 139.9 79.5 -10.8 -31.4 -3.0 -10.9 182 189 A L < + 0 0 31 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.378 29.5 177.8 -70.4 140.7 -30.6 0.4 -9.4 183 190 A E S S+ 0 0 142 1,-0.4 24,-2.2 -2,-0.1 2,-0.3 0.640 73.0 12.1-108.3 -18.8 -30.5 3.5 -11.5 184 191 A S E -c 207 0B 21 22,-0.2 58,-0.5 2,-0.0 -1,-0.4 -0.992 57.4-175.0-155.7 152.0 -29.7 5.9 -8.6 185 192 A I E -c 208 0B 2 22,-2.1 24,-2.0 -2,-0.3 2,-0.5 -0.989 13.5-150.1-146.7 145.2 -28.7 5.9 -5.0 186 193 A V E -cd 209 243B 0 56,-2.3 58,-2.4 -2,-0.3 2,-1.0 -0.989 11.0-147.6-117.7 127.5 -28.3 8.7 -2.4 187 194 A D E > -cd 210 244B 1 22,-3.2 24,-2.4 -2,-0.5 3,-1.3 -0.832 20.3-150.8 -94.0 101.7 -25.7 8.1 0.3 188 195 A V E 3 S+c 211 0B 0 56,-2.2 58,-0.4 -2,-1.0 24,-0.2 -0.684 84.3 10.1 -80.9 121.3 -27.3 10.0 3.3 189 196 A G T 3 S+ 0 0 2 22,-2.3 -1,-0.3 -2,-0.5 23,-0.2 0.824 87.7 161.0 73.5 38.6 -24.6 11.3 5.6 190 197 A G X - 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