==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-OCT-10 3P9C . COMPND 2 MOLECULE: CAFFEIC ACID O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIUM PERENNE; . AUTHOR G.V.LOUIE,J.P.NOEL,M.E.BOWMAN . 353 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.4 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 1 2 3 0 1 1 0 1 0 3 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 0 0 0 1 2 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 1 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 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 9 A A > 0 0 112 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -33.7 -9.5 -3.2 143.4 2 10 A A H > + 0 0 96 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.970 360.0 26.1 -66.4 -55.2 -6.4 -4.9 144.8 3 11 A S H > S+ 0 0 88 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.410 112.6 76.5 -87.6 1.0 -4.6 -5.5 141.6 4 12 A A H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.896 99.0 38.4 -77.0 -43.6 -6.5 -2.5 140.2 5 13 A D H X S+ 0 0 121 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.693 111.4 59.3 -80.8 -19.6 -4.4 0.1 141.9 6 14 A E H X S+ 0 0 114 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.892 106.1 49.7 -72.4 -39.3 -1.2 -1.9 141.4 7 15 A D H X S+ 0 0 111 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.937 112.0 47.1 -61.6 -47.9 -1.9 -1.6 137.7 8 16 A A H X S+ 0 0 57 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.879 112.3 50.0 -62.3 -40.1 -2.4 2.1 138.0 9 17 A C H X S+ 0 0 77 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.893 110.8 48.7 -66.8 -40.4 0.8 2.5 140.0 10 18 A M H X S+ 0 0 95 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.868 109.8 52.9 -66.5 -37.4 2.8 0.5 137.5 11 19 A F H X S+ 0 0 118 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.910 108.7 49.7 -64.1 -42.6 1.4 2.6 134.7 12 20 A A H X S+ 0 0 57 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.901 111.2 49.5 -63.3 -39.7 2.5 5.8 136.5 13 21 A L H < S+ 0 0 112 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.897 111.3 48.7 -66.0 -42.2 5.9 4.3 137.0 14 22 A Q H >< S+ 0 0 83 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.943 112.0 49.2 -62.3 -48.0 6.2 3.4 133.3 15 23 A L H >< S+ 0 0 88 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.858 100.6 65.2 -59.2 -38.5 5.0 7.0 132.3 16 24 A A T 3< S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.642 116.8 27.2 -62.4 -15.5 7.6 8.5 134.6 17 25 A S T X S+ 0 0 65 -3,-1.5 3,-1.8 -4,-0.5 -1,-0.3 -0.044 79.8 130.4-135.1 33.3 10.3 7.1 132.4 18 26 A S T < + 0 0 63 -3,-1.7 3,-0.2 1,-0.3 -2,-0.1 0.389 55.3 81.1 -72.2 4.7 8.5 6.9 129.1 19 27 A S T 3> S+ 0 0 78 1,-0.2 4,-1.9 2,-0.1 5,-0.3 0.641 75.7 79.7 -80.3 -13.6 11.4 8.7 127.3 20 28 A V H <> S+ 0 0 59 -3,-1.8 4,-2.5 1,-0.2 5,-0.3 0.931 88.4 49.6 -60.8 -46.5 13.1 5.3 127.3 21 29 A L H > S+ 0 0 49 -4,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.960 114.0 41.5 -61.1 -54.3 11.2 3.8 124.3 22 30 A P H > S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.905 120.1 43.4 -62.1 -39.9 11.6 6.7 121.8 23 31 A M H X S+ 0 0 59 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.847 114.5 48.5 -75.4 -33.9 15.3 7.4 122.7 24 32 A T H X S+ 0 0 30 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.928 113.5 48.7 -69.5 -43.1 16.3 3.7 122.8 25 33 A L H X S+ 0 0 31 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.920 107.3 55.3 -61.5 -44.2 14.6 3.2 119.4 26 34 A K H X S+ 0 0 26 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.914 111.6 43.6 -55.0 -45.5 16.3 6.2 117.9 27 35 A N H X S+ 0 0 77 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.859 109.9 55.9 -69.9 -35.3 19.7 4.8 118.9 28 36 A A H X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-0.8 0.891 109.8 47.3 -62.6 -40.2 18.8 1.3 117.7 29 37 A I H ><5S+ 0 0 21 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.955 111.8 49.1 -65.4 -50.0 18.0 2.8 114.3 30 38 A E H 3<5S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.822 110.2 51.0 -59.5 -35.1 21.2 4.8 114.1 31 39 A L H 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.682 113.4-121.7 -75.5 -18.5 23.3 1.8 115.0 32 40 A G T S+ 0 0 2 -6,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.886 109.8 52.3 -69.7 -36.9 16.8 -3.1 112.9 35 43 A E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.916 109.7 50.5 -63.2 -41.1 18.4 -3.4 109.5 36 44 A I H X S+ 0 0 21 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.906 111.4 47.0 -62.5 -44.2 20.6 -6.2 110.8 37 45 A L H < S+ 0 0 1 -4,-2.0 60,-0.6 1,-0.2 3,-0.5 0.884 110.6 52.0 -66.8 -38.8 17.6 -8.1 112.2 38 46 A V H >< S+ 0 0 60 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.856 107.3 53.6 -65.3 -34.2 15.6 -7.7 109.0 39 47 A A H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.716 88.3 78.4 -72.8 -20.9 18.6 -9.1 107.1 40 48 A A T >< S- 0 0 22 -4,-0.9 3,-1.3 -3,-0.5 -1,-0.3 0.500 97.5-139.5 -66.2 -1.4 18.6 -12.2 109.3 41 49 A G T < - 0 0 57 -3,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.890 67.3 -31.0 39.7 71.8 15.7 -13.3 107.2 42 50 A G T 3 S+ 0 0 89 -5,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.434 115.8 110.6 75.4 -1.8 13.3 -14.8 109.7 43 51 A K < - 0 0 150 -3,-1.3 2,-0.4 -6,-0.2 54,-0.3 -0.721 65.4-121.1-107.4 158.5 16.0 -16.0 112.0 44 52 A S - 0 0 51 -2,-0.3 2,-0.3 52,-0.1 52,-0.3 -0.786 23.3-154.5 -98.9 139.8 17.0 -14.8 115.5 45 53 A L B -A 95 0A 25 50,-3.1 50,-3.5 -2,-0.4 -8,-0.0 -0.849 15.6-120.7-114.1 148.7 20.5 -13.5 116.3 46 54 A T > - 0 0 54 -2,-0.3 4,-2.5 48,-0.3 3,-0.3 -0.487 31.7-111.3 -80.9 155.2 22.5 -13.5 119.6 47 55 A P H > S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 121.8 54.8 -56.6 -28.8 23.6 -10.1 120.9 48 56 A T H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.905 108.2 47.8 -69.2 -41.2 27.1 -11.2 120.1 49 57 A E H > S+ 0 0 94 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.886 113.1 48.6 -65.9 -39.6 26.2 -11.9 116.5 50 58 A V H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.940 111.2 48.5 -66.0 -47.3 24.4 -8.6 116.2 51 59 A A H ><>S+ 0 0 5 -4,-2.5 3,-1.9 1,-0.3 5,-0.5 0.824 101.9 65.5 -62.4 -30.5 27.4 -6.7 117.7 52 60 A A H 3<5S+ 0 0 81 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.773 97.4 54.9 -62.5 -26.5 29.7 -8.5 115.3 53 61 A K T <<5S+ 0 0 137 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.389 100.5 78.0 -87.8 3.4 27.9 -6.8 112.4 54 62 A L T < 5S- 0 0 25 -3,-1.9 2,-2.5 -4,-0.1 3,-0.2 -0.827 92.4-113.9-112.3 151.3 28.7 -3.4 114.0 55 63 A P T 5S+ 0 0 137 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.356 80.1 119.0 -79.6 60.8 32.1 -1.5 114.0 56 64 A S > < + 0 0 28 -2,-2.5 3,-2.4 -5,-0.5 6,-0.3 0.055 18.9 124.9-114.6 22.6 32.3 -2.0 117.8 57 65 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -3,-0.2 5,-0.1 0.849 72.9 59.1 -50.2 -37.4 35.5 -4.1 117.9 58 66 A A T 3 S+ 0 0 104 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.627 95.7 70.9 -69.6 -14.3 36.8 -1.5 120.4 59 67 A N X - 0 0 53 -3,-2.4 3,-1.6 1,-0.1 -1,-0.1 -0.862 54.8-176.6-112.1 103.4 34.0 -2.1 122.8 60 68 A P T 3 S+ 0 0 118 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.628 88.4 57.7 -68.2 -13.7 34.1 -5.5 124.6 61 69 A E T 3> S+ 0 0 115 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.400 75.8 103.7 -95.7 1.3 30.8 -4.6 126.3 62 70 A A H <> S+ 0 0 7 -3,-1.6 4,-2.7 -6,-0.3 5,-0.3 0.897 77.4 50.5 -50.4 -50.8 29.1 -4.2 122.9 63 71 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.920 112.2 47.6 -56.7 -44.6 27.2 -7.5 123.0 64 72 A D H > S+ 0 0 99 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.901 112.4 48.9 -63.7 -42.0 25.9 -6.8 126.5 65 73 A M H X S+ 0 0 85 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.913 111.6 48.9 -64.6 -42.4 24.8 -3.3 125.6 66 74 A V H X S+ 0 0 6 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.896 108.9 54.9 -63.0 -39.8 23.0 -4.6 122.5 67 75 A D H X S+ 0 0 13 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.935 109.5 46.1 -58.6 -48.2 21.3 -7.2 124.6 68 76 A R H X S+ 0 0 172 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.900 114.1 48.7 -63.5 -41.2 20.0 -4.6 127.0 69 77 A I H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.947 114.4 43.4 -64.3 -50.8 18.8 -2.4 124.1 70 78 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.834 108.9 58.8 -66.8 -31.2 17.0 -5.2 122.2 71 79 A R H X S+ 0 0 115 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.915 107.6 46.9 -63.8 -41.9 15.5 -6.5 125.4 72 80 A L H X S+ 0 0 41 -4,-1.6 4,-0.6 2,-0.2 3,-0.4 0.953 114.0 47.0 -62.8 -49.7 13.8 -3.2 126.0 73 81 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-1.0 0.864 108.5 56.6 -61.6 -35.7 12.6 -3.0 122.4 74 82 A A H ><5S+ 0 0 15 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.850 98.7 59.8 -65.2 -33.9 11.4 -6.6 122.6 75 83 A S H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.697 108.7 45.2 -68.7 -16.3 9.2 -5.8 125.6 76 84 A Y T <<5S- 0 0 87 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.206 118.0-114.5-107.1 12.0 7.4 -3.3 123.4 77 85 A N T < 5S+ 0 0 131 -3,-1.7 23,-0.4 2,-0.2 -3,-0.2 0.774 80.8 126.1 61.0 29.6 7.2 -5.8 120.5 78 86 A V S - 0 0 9 -20,-0.8 3,-1.7 -2,-0.2 4,-0.5 -0.642 35.3 -94.2-102.5 166.0 9.0 -8.0 114.4 99 107 A P G > S+ 0 0 118 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.833 122.5 58.6 -48.8 -40.9 6.3 -6.9 111.9 100 108 A V G > S+ 0 0 60 -23,-0.4 3,-1.5 1,-0.2 4,-0.3 0.757 88.6 75.8 -65.4 -21.9 6.9 -3.2 112.6 101 109 A C G X S+ 0 0 0 -3,-1.7 3,-1.6 1,-0.3 4,-0.3 0.826 82.6 66.1 -59.4 -31.7 10.5 -3.5 111.5 102 110 A K G < S+ 0 0 142 -3,-1.2 3,-0.4 -4,-0.5 -1,-0.3 0.800 104.5 46.0 -59.7 -27.7 9.5 -3.6 107.9 103 111 A F G < S+ 0 0 86 -3,-1.5 10,-2.8 -4,-0.3 -1,-0.3 0.386 110.2 52.8 -96.6 1.8 8.3 -0.0 108.3 104 112 A L S < S+ 0 0 23 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.178 107.2 55.9-119.9 12.2 11.4 1.1 110.1 105 113 A T S S- 0 0 9 -3,-0.4 8,-0.1 -4,-0.3 6,-0.1 -0.956 105.2 -68.5-139.6 154.3 13.9 -0.1 107.5 106 114 A P - 0 0 77 0, 0.0 6,-0.2 0, 0.0 -2,-0.1 -0.121 48.1-160.5 -48.3 128.6 14.2 0.6 103.8 107 115 A N > - 0 0 63 4,-1.6 3,-1.9 -4,-0.1 5,-0.0 -0.129 49.2 -68.1 -93.6-163.2 11.4 -0.8 101.6 108 116 A E T 3 S+ 0 0 183 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.749 138.5 49.3 -61.7 -23.9 11.5 -1.3 97.8 109 117 A D T 3 S- 0 0 67 2,-0.2 -1,-0.3 66,-0.0 3,-0.1 0.342 119.3-110.8 -96.1 5.9 11.6 2.5 97.3 110 118 A G S < S+ 0 0 46 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.632 81.2 110.3 76.1 16.1 14.4 2.9 99.8 111 119 A V + 0 0 9 -6,-0.1 -4,-1.6 60,-0.1 2,-0.3 -0.783 30.9 149.3-123.5 164.8 12.2 4.6 102.4 112 120 A S > - 0 0 8 -2,-0.3 3,-0.5 -6,-0.2 4,-0.3 -0.945 59.0 -85.6-170.2-177.4 10.6 4.0 105.8 113 121 A M T >> S+ 0 0 49 -10,-2.8 4,-1.9 -2,-0.3 3,-0.6 0.519 101.7 93.0 -82.6 -6.4 9.5 5.8 109.0 114 122 A A H 3> S+ 0 0 12 -11,-0.3 4,-2.0 1,-0.2 5,-0.2 0.895 80.8 55.6 -53.7 -42.9 13.0 5.5 110.4 115 123 A A H <> S+ 0 0 11 -3,-0.5 4,-1.3 1,-0.2 53,-0.3 0.854 106.1 50.8 -60.2 -35.7 13.9 9.0 109.0 116 124 A L H <> S+ 0 0 30 -3,-0.6 4,-2.9 -4,-0.3 5,-0.3 0.886 107.3 54.2 -68.7 -37.4 10.9 10.5 110.9 117 125 A A H X S+ 0 0 14 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.893 108.5 47.9 -63.2 -39.9 12.1 8.8 114.1 118 126 A L H < S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.802 114.8 48.5 -71.5 -25.8 15.5 10.4 113.7 119 127 A M H >< S+ 0 0 14 -4,-1.3 3,-1.4 -5,-0.2 6,-0.4 0.958 111.8 43.3 -78.6 -53.3 13.9 13.7 113.1 120 128 A N H 3< S+ 0 0 37 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.829 120.2 42.9 -63.5 -32.8 11.4 14.0 115.9 121 129 A Q T 3< S+ 0 0 47 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.236 86.2 123.7 -98.1 14.1 13.8 12.7 118.5 122 130 A D S <> S- 0 0 10 -3,-1.4 4,-2.3 1,-0.1 3,-0.4 -0.467 75.8-115.5 -71.1 147.0 16.7 14.8 117.2 123 131 A K H > S+ 0 0 155 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.842 112.3 60.8 -52.6 -36.2 18.2 17.0 119.9 124 132 A V H 4 S+ 0 0 7 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.943 111.3 35.3 -59.2 -51.2 17.1 20.1 118.0 125 133 A L H >> S+ 0 0 13 -6,-0.4 3,-1.0 -3,-0.4 4,-0.5 0.822 109.8 63.6 -74.8 -30.1 13.3 19.3 118.1 126 134 A M H >< S+ 0 0 47 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.838 91.2 69.5 -62.4 -28.6 13.5 17.8 121.6 127 135 A E G >< S+ 0 0 54 -4,-1.4 3,-1.3 -3,-0.3 4,-0.3 0.826 85.7 66.7 -59.1 -34.4 14.5 21.2 122.9 128 136 A S G X4 S+ 0 0 0 -3,-1.0 3,-2.2 -4,-0.4 -1,-0.2 0.856 88.6 66.4 -56.3 -37.7 11.1 22.7 122.2 129 137 A W G X< S+ 0 0 88 -3,-1.0 3,-1.0 -4,-0.5 4,-0.4 0.759 89.0 64.7 -58.8 -25.9 9.5 20.5 124.9 130 138 A Y G < S+ 0 0 143 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.633 108.0 43.1 -73.4 -9.5 11.4 22.3 127.7 131 139 A Y G <> S+ 0 0 71 -3,-2.2 4,-1.8 -4,-0.3 -1,-0.2 0.288 82.2 97.6-117.4 9.5 9.5 25.4 126.8 132 140 A L H <> S+ 0 0 38 -3,-1.0 4,-2.0 -4,-0.2 5,-0.2 0.929 84.6 51.5 -64.0 -45.0 5.9 24.1 126.3 133 141 A K H > S+ 0 0 148 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.901 108.6 53.4 -58.8 -39.4 4.8 25.1 129.8 134 142 A D H > S+ 0 0 49 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.890 107.3 50.2 -62.7 -40.3 6.2 28.6 129.1 135 143 A A H X S+ 0 0 11 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.856 108.2 53.1 -67.6 -34.5 4.1 28.9 125.9 136 144 A V H < S+ 0 0 108 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.882 119.1 34.9 -67.5 -37.0 1.0 27.8 127.7 137 145 A L H < S+ 0 0 137 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.896 134.9 21.9 -84.4 -43.7 1.4 30.5 130.4 138 146 A D H < S- 0 0 126 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.492 104.5-123.6-104.3 -5.9 3.0 33.4 128.4 139 147 A G < + 0 0 36 -4,-1.6 2,-0.2 -5,-0.4 -1,-0.2 -0.021 60.7 92.5 82.3 166.1 1.8 32.5 124.9 140 148 A G S S- 0 0 58 -5,-0.1 -1,-0.1 -4,-0.1 3,-0.1 -0.633 78.0 -51.6 109.9-169.2 4.1 32.0 121.9 141 149 A I > - 0 0 32 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.944 34.7-140.5-115.2 126.8 5.8 29.0 120.3 142 150 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 170,-0.2 0.894 103.9 51.2 -50.6 -46.5 7.9 26.5 122.3 143 151 A F H > S+ 0 0 0 168,-2.0 4,-2.1 1,-0.2 6,-0.3 0.933 109.5 50.2 -57.8 -47.6 10.5 26.2 119.5 144 152 A N H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.851 109.4 50.9 -60.8 -36.4 10.8 30.0 119.1 145 153 A K H < S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.6 49.4 -69.0 -35.6 11.4 30.4 122.9 146 154 A A H < S+ 0 0 22 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.855 127.0 21.6 -71.9 -36.8 14.1 27.7 122.8 147 155 A Y H < S- 0 0 57 -4,-2.1 -2,-0.2 2,-0.3 -3,-0.2 0.497 95.6-122.9-112.7 -5.4 16.0 29.2 119.8 148 156 A G S < S+ 0 0 71 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.1 0.654 87.6 62.4 71.9 15.0 15.0 32.8 119.8 149 157 A M S S- 0 0 58 -6,-0.3 -2,-0.3 -5,-0.3 -1,-0.2 -0.964 92.3 -82.4-159.6 167.2 13.8 32.4 116.2 150 158 A S > - 0 0 27 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.276 38.1-114.5 -73.9 163.1 11.3 30.6 114.1 151 159 A A H > S+ 0 0 21 161,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.892 118.5 56.9 -63.8 -39.1 11.8 27.0 112.9 152 160 A F H > S+ 0 0 175 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.937 110.9 42.3 -56.1 -49.2 11.9 28.3 109.3 153 161 A E H >4 S+ 0 0 111 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.848 109.1 59.1 -67.5 -36.8 14.7 30.7 110.2 154 162 A Y H >X S+ 0 0 31 -4,-2.3 3,-2.0 1,-0.2 4,-0.9 0.856 93.6 66.2 -62.1 -36.9 16.6 28.0 112.2 155 163 A H H >< S+ 0 0 32 -4,-1.9 3,-0.5 1,-0.3 7,-0.2 0.845 97.5 54.3 -54.4 -36.2 16.8 25.7 109.2 156 164 A G T << S+ 0 0 75 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.571 109.3 48.6 -76.9 -6.6 19.1 28.2 107.5 157 165 A T T <4 S+ 0 0 83 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.538 109.0 51.4-107.4 -10.5 21.5 28.2 110.5 158 166 A D S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.868 83.2 55.4 -56.6 -42.8 22.8 22.4 107.9 160 168 A R H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.958 112.8 40.7 -57.7 -52.8 23.0 19.1 109.9 161 169 A F H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.856 108.5 61.2 -65.7 -35.0 19.4 19.5 111.2 162 170 A N H X S+ 0 0 53 -4,-2.3 4,-2.7 -7,-0.2 -1,-0.2 0.910 107.4 45.9 -57.9 -40.4 18.2 20.8 107.8 163 171 A R H X S+ 0 0 153 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.877 111.0 51.3 -69.4 -38.3 19.2 17.5 106.3 164 172 A V H X S+ 0 0 31 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.929 113.6 46.2 -63.1 -43.9 17.6 15.5 109.1 165 173 A F H X S+ 0 0 65 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.937 113.3 47.8 -63.2 -49.6 14.4 17.4 108.5 166 174 A N H X S+ 0 0 78 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.869 111.3 50.2 -62.6 -37.2 14.5 17.0 104.7 167 175 A E H X S+ 0 0 106 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.913 111.8 49.0 -67.5 -41.5 15.2 13.3 104.9 168 176 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -53,-0.3 -52,-0.2 0.959 115.2 42.7 -61.2 -51.6 12.3 12.8 107.3 169 177 A M H X S+ 0 0 63 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.876 113.8 51.5 -63.7 -39.4 9.9 14.8 105.2 170 178 A K H X S+ 0 0 101 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.907 109.5 49.5 -66.7 -41.3 11.1 13.2 101.9 171 179 A N H X S+ 0 0 8 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.931 114.4 45.9 -62.2 -44.8 10.6 9.7 103.2 172 180 A H H X S+ 0 0 40 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.923 112.4 49.6 -64.6 -45.7 7.1 10.5 104.4 173 181 A S H X S+ 0 0 15 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.901 111.4 49.0 -62.0 -41.6 6.1 12.3 101.2 174 182 A I H X S+ 0 0 48 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.930 111.4 49.2 -64.4 -44.1 7.3 9.4 99.0 175 183 A I H X S+ 0 0 15 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.921 116.7 41.5 -61.3 -45.7 5.5 6.8 101.2 176 184 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.917 114.0 51.0 -69.5 -44.7 2.2 8.7 101.1 177 185 A T H X S+ 0 0 9 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.901 109.6 51.1 -61.2 -40.3 2.5 9.7 97.4 178 186 A K H X S+ 0 0 103 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.900 112.8 44.9 -63.2 -42.8 3.1 6.1 96.4 179 187 A K H X S+ 0 0 44 -4,-1.6 4,-3.0 2,-0.2 5,-0.4 0.847 109.0 57.1 -70.1 -34.3 0.1 4.9 98.3 180 188 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 109.2 45.7 -61.8 -43.1 -2.0 7.7 97.0 181 189 A L H < S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.757 117.7 44.8 -71.1 -24.4 -1.2 6.5 93.4 182 190 A E H < S+ 0 0 118 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.808 129.0 20.9 -88.0 -32.4 -1.9 2.9 94.4 183 191 A L H < S+ 0 0 77 -4,-3.0 2,-0.5 -5,-0.1 -3,-0.2 0.635 105.2 77.7-113.9 -18.7 -5.2 3.5 96.4 184 192 A Y < - 0 0 8 -4,-2.4 3,-0.3 -5,-0.4 -1,-0.0 -0.837 44.3-177.0-101.7 131.6 -6.7 6.8 95.3 185 193 A H > + 0 0 125 -2,-0.5 3,-1.7 1,-0.2 -1,-0.1 0.359 56.0 103.5-105.3 4.4 -8.6 7.1 92.0 186 194 A G T 3 S+ 0 0 11 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.556 75.1 58.7 -65.3 -9.6 -9.4 10.8 92.2 187 195 A F T > S+ 0 0 1 -3,-0.3 3,-0.9 3,-0.1 -1,-0.3 0.423 80.4 111.7 -98.8 -0.4 -6.7 11.8 89.6 188 196 A E T < S+ 0 0 111 -3,-1.7 -3,-0.0 1,-0.2 23,-0.0 -0.499 76.6 23.0 -76.0 142.6 -8.1 9.6 86.9 189 197 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.685 94.0 156.9 75.6 21.5 -9.6 11.3 83.8 190 198 A L < + 0 0 15 -3,-0.9 -1,-0.2 1,-0.2 3,-0.1 -0.486 31.0 175.0 -85.6 148.9 -7.6 14.4 84.5 191 199 A G S S+ 0 0 25 1,-0.3 24,-3.4 -2,-0.2 2,-0.5 0.692 74.8 12.1-107.5 -83.0 -6.4 17.1 82.3 192 200 A T E -c 215 0B 36 22,-0.2 57,-1.9 24,-0.1 58,-1.7 -0.892 63.7-168.6-108.4 122.3 -4.7 19.8 84.3 193 201 A L E -cd 216 250B 0 22,-2.3 24,-2.8 -2,-0.5 2,-0.6 -0.944 7.0-159.1-110.6 118.6 -3.7 19.1 87.9 194 202 A V E -cd 217 251B 0 56,-2.7 58,-3.3 -2,-0.6 2,-0.9 -0.882 3.6-157.8-102.5 119.7 -2.5 22.1 89.9 195 203 A D E > -cd 218 252B 0 22,-3.3 24,-2.7 -2,-0.6 3,-1.1 -0.831 14.8-153.9 -96.0 100.9 -0.4 21.4 93.0 196 204 A V E 3 S+c 219 0B 0 56,-2.2 58,-0.3 -2,-0.9 24,-0.2 -0.667 80.4 4.0 -80.6 122.7 -0.8 24.5 95.2 197 205 A G T 3 S+ 0 0 0 22,-2.2 -1,-0.3 -2,-0.5 23,-0.2 0.858 85.1 156.0 71.4 36.0 2.2 25.0 97.4 198 206 A G X - 0 0 4 21,-1.6 3,-1.9 -3,-1.1 5,-0.4 0.372 37.0-147.1 -77.4 5.1 3.8 22.1 95.8 199 207 A G T 3 S- 0 0 10 20,-0.3 -1,-0.2 1,-0.3 29,-0.1 -0.487 75.7 -11.6 66.7-126.5 7.4 23.2 96.6 200 208 A V T 3 S- 0 0 63 -2,-0.3 -1,-0.3 154,-0.1 18,-0.1 0.369 104.8-106.4 -88.3 6.0 9.8 22.2 93.9 201 209 A G S <> S+ 0 0 0 -3,-1.9 4,-1.8 18,-0.1 5,-0.2 0.634 73.4 139.5 85.0 17.6 7.0 20.0 92.4 202 210 A A H > S+ 0 0 31 -4,-0.4 4,-1.7 1,-0.2 5,-0.1 0.847 74.3 50.5 -62.6 -33.7 8.1 16.5 93.3 203 211 A T H > S+ 0 0 4 -5,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.969 112.5 42.3 -70.6 -52.0 4.5 15.4 94.2 204 212 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.822 112.4 57.7 -65.0 -26.5 2.7 16.6 91.1 205 213 A A H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.913 105.3 49.1 -68.5 -41.0 5.7 15.2 89.1 206 214 A A H X S+ 0 0 36 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.887 112.3 48.5 -64.6 -38.8 5.1 11.7 90.5 207 215 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.923 111.5 49.2 -67.3 -43.4 1.4 12.0 89.7 208 216 A A H < S+ 0 0 6 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.837 109.2 53.0 -64.7 -33.2 2.1 13.2 86.1 209 217 A A H < S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 110.2 48.0 -71.3 -31.4 4.6 10.3 85.7 210 218 A H H < S+ 0 0 96 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.831 119.9 39.1 -76.1 -34.3 1.9 7.8 86.7 211 219 A Y >< - 0 0 37 -4,-2.0 3,-1.9 1,-0.1 -1,-0.3 -0.806 68.3-171.3-121.1 89.2 -0.7 9.4 84.4 212 220 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.734 83.6 63.2 -48.2 -30.3 1.0 10.4 81.0 213 221 A T T 3 S+ 0 0 115 2,-0.1 -5,-0.1 0, 0.0 20,-0.0 0.787 84.2 99.9 -68.5 -30.4 -2.2 12.2 80.0 214 222 A I < - 0 0 8 -3,-1.9 2,-0.7 -6,-0.2 -22,-0.2 -0.234 62.3-147.6 -66.2 143.1 -2.0 14.8 82.8 215 223 A K E -c 192 0B 139 -24,-3.4 -22,-2.3 2,-0.0 2,-0.3 -0.950 25.7-155.0-107.4 109.0 -0.7 18.3 82.5 216 224 A G E -ce 193 234B 1 17,-3.1 19,-2.5 -2,-0.7 2,-0.5 -0.692 11.2-165.8 -92.4 141.4 0.8 19.0 85.8 217 225 A V E -ce 194 235B 19 -24,-2.8 -22,-3.3 -2,-0.3 2,-0.6 -0.984 5.7-158.2-126.0 119.6 1.2 22.5 87.3 218 226 A N E -ce 195 236B 0 17,-2.6 19,-3.1 -2,-0.5 2,-0.5 -0.884 15.7-170.0 -98.1 120.4 3.5 23.1 90.2 219 227 A F E +ce 196 237B 7 -24,-2.7 -22,-2.2 -2,-0.6 -21,-1.6 -0.943 24.3 119.3-117.3 128.2 2.5 26.3 92.0 220 228 A D E - e 0 238B 3 17,-1.8 19,-2.1 -2,-0.5 -20,-0.0 -0.892 63.4 -42.0-162.8-171.2 4.5 28.0 94.8 221 229 A L >> - 0 0 51 -2,-0.3 4,-2.5 17,-0.2 3,-1.4 -0.344 55.9-115.0 -67.3 147.1 6.4 31.2 95.7 222 230 A P H 3> S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.893 115.1 49.9 -49.6 -48.3 8.5 32.8 93.0 223 231 A H H 34 S+ 0 0 121 1,-0.2 4,-0.2 2,-0.2 -2,-0.0 0.662 113.0 48.2 -69.3 -14.6 11.8 32.2 94.8 224 232 A V H X4 S+ 0 0 28 -3,-1.4 3,-1.2 2,-0.1 4,-0.2 0.888 110.7 49.0 -87.3 -46.1 10.9 28.6 95.4 225 233 A I H >< S+ 0 0 24 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.824 100.1 66.6 -61.1 -35.5 9.9 27.9 91.8 226 234 A S T 3< S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.748 104.5 44.4 -60.8 -23.6 13.1 29.4 90.4 227 235 A E T < S+ 0 0 153 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.366 88.4 120.4-102.6 4.6 15.1 26.6 92.0 228 236 A A < - 0 0 21 -3,-1.6 -27,-0.1 -4,-0.2 8,-0.1 -0.386 60.2-123.8 -73.6 145.2 12.8 23.8 90.9 229 237 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.239 31.6 -95.6 -78.2 173.2 14.1 20.9 88.7 230 238 A Q - 0 0 155 5,-0.0 5,-0.1 -2,-0.0 -29,-0.0 -0.753 41.7-176.4 -92.5 137.5 12.5 19.9 85.4 231 239 A F > - 0 0 43 3,-0.4 3,-1.8 -2,-0.4 2,-0.1 -0.990 34.8-100.2-133.1 141.8 10.0 17.1 85.4 232 240 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -24,-0.1 -0.400 108.2 8.9 -63.0 132.6 8.2 15.5 82.5 233 241 A G T 3 S+ 0 0 46 1,-0.2 -17,-3.1 -2,-0.1 2,-0.5 0.573 104.4 118.9 75.4 9.4 4.6 16.9 82.2 234 242 A V E < -e 216 0B 20 -3,-1.8 2,-0.5 -19,-0.2 -3,-0.4 -0.928 42.2-169.8-117.6 132.7 5.2 19.6 84.8 235 243 A T E -e 217 0B 88 -19,-2.5 -17,-2.6 -2,-0.5 2,-0.4 -0.971 18.0-140.9-117.0 126.5 5.0 23.3 84.4 236 244 A H E -e 218 0B 50 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.743 19.8-177.0 -90.9 130.7 6.2 25.6 87.2 237 245 A V E -e 219 0B 53 -19,-3.1 -17,-1.8 -2,-0.4 2,-0.3 -0.993 11.8-149.9-130.1 130.2 4.3 28.7 88.1 238 246 A G E +e 220 0B 39 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.755 40.2 99.0-100.5 145.1 5.2 31.3 90.7 239 247 A G - 0 0 23 -19,-2.1 2,-0.4 -2,-0.3 6,-0.1 -0.933 68.2 -67.9 178.7-154.4 2.8 33.4 92.6 240 248 A D >> - 0 0 55 4,-0.4 4,-2.3 -2,-0.3 3,-2.2 -0.937 26.5-158.0-134.0 107.8 0.8 34.0 95.8 241 249 A M T 34 S+ 0 0 11 -2,-0.4 30,-0.1 1,-0.3 -1,-0.1 0.708 91.9 63.7 -60.1 -20.0 -1.9 31.5 96.6 242 250 A F T 34 S+ 0 0 48 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.565 112.6 34.3 -82.2 -6.1 -3.7 34.0 98.9 243 251 A K T <4 S- 0 0 161 -3,-2.2 2,-0.3 1,-0.4 -2,-0.2 0.741 133.7 -22.1-110.3 -43.4 -4.3 36.3 95.9 244 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