==== 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 1FPQ . COMPND 2 MOLECULE: ISOLIQUIRITIGENIN 2'-O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR C.ZUBIETA,R.A.DIXON,J.P.NOEL . 334 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.1 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 . 2 0.6 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 2 3 0 0 1 1 1 0 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 20 A T > 0 0 132 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 133.8 26.5 7.6 32.7 2 21 A E H > + 0 0 151 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.906 360.0 54.9 -63.3 -42.1 24.5 4.3 33.0 3 22 A D H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 111.5 45.2 -57.7 -42.1 25.2 3.5 29.3 4 23 A S H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 111.2 52.0 -67.4 -43.0 28.9 3.9 29.9 5 24 A A H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.913 111.0 46.7 -62.3 -44.4 28.9 1.9 33.1 6 25 A C H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.913 109.5 55.0 -65.3 -40.9 27.1 -1.1 31.5 7 26 A L H X S+ 0 0 3 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.889 109.7 47.0 -57.8 -41.4 29.5 -0.9 28.6 8 27 A S H X S+ 0 0 63 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.891 110.1 52.5 -67.6 -39.9 32.4 -1.3 31.0 9 28 A A H X S+ 0 0 45 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.900 109.5 50.0 -62.6 -37.5 30.7 -4.1 32.8 10 29 A X H X S+ 0 0 27 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.868 111.0 47.8 -69.2 -36.2 30.3 -5.8 29.4 11 30 A V H < S+ 0 0 13 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.889 113.2 51.6 -68.5 -38.6 34.0 -5.3 28.6 12 31 A L H >< S+ 0 0 111 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.919 108.5 48.0 -61.4 -49.1 34.7 -6.7 32.1 13 32 A T H 3< S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.641 113.4 46.7 -72.6 -14.3 32.7 -9.8 31.8 14 33 A T T >< S+ 0 0 31 -4,-0.8 3,-1.8 -3,-0.3 4,-0.4 0.217 74.6 122.6-109.8 12.6 34.1 -10.8 28.4 15 34 A N T < + 0 0 98 -3,-1.2 3,-0.5 1,-0.3 -1,-0.1 0.609 57.2 74.0 -49.5 -18.9 37.7 -10.2 29.5 16 35 A L T 3> S+ 0 0 112 1,-0.2 4,-1.4 -3,-0.2 -1,-0.3 0.808 83.0 66.4 -71.6 -27.1 38.8 -13.7 28.7 17 36 A V H <> S+ 0 0 22 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 0.855 91.7 64.1 -62.8 -33.5 38.7 -13.3 24.9 18 37 A Y H > S+ 0 0 63 -3,-0.5 4,-2.8 -4,-0.4 5,-0.2 0.943 104.4 41.8 -58.6 -53.6 41.6 -10.8 25.0 19 38 A P H > S+ 0 0 47 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.870 112.5 56.1 -65.2 -32.3 44.3 -13.2 26.3 20 39 A A H X S+ 0 0 56 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.928 112.2 42.2 -62.0 -45.6 43.0 -15.9 23.9 21 40 A V H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.922 115.3 48.9 -68.0 -44.9 43.5 -13.6 21.0 22 41 A L H X S+ 0 0 28 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.935 110.1 52.2 -59.9 -46.0 46.8 -12.3 22.2 23 42 A N H X S+ 0 0 39 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.862 112.1 46.4 -57.2 -38.6 48.0 -15.9 22.8 24 43 A A H X S+ 0 0 35 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.901 109.0 54.1 -72.3 -41.6 47.1 -16.8 19.3 25 44 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.3 0.893 110.0 48.7 -57.8 -42.1 48.7 -13.7 17.8 26 45 A I H ><5S+ 0 0 13 -4,-2.3 3,-1.3 3,-0.2 -1,-0.2 0.910 111.0 48.1 -65.7 -45.1 52.0 -14.6 19.5 27 46 A D H 3<5S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 111.6 50.5 -66.5 -32.3 51.9 -18.3 18.3 28 47 A L T 3<5S- 0 0 63 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.411 109.6-129.4 -82.9 1.6 51.2 -17.1 14.8 29 48 A N T <>5 + 0 0 85 -3,-1.3 4,-1.9 -5,-0.2 -3,-0.2 0.811 54.0 153.1 53.8 36.8 54.1 -14.7 15.1 30 49 A L H >< + 0 0 1 -5,-2.5 4,-2.4 1,-0.2 5,-0.2 0.854 66.8 51.1 -63.8 -36.8 52.0 -11.7 14.0 31 50 A F H > S+ 0 0 3 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.906 110.3 47.6 -68.4 -43.1 54.0 -9.1 15.8 32 51 A E H > S+ 0 0 48 72,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.904 111.3 53.6 -64.2 -40.3 57.4 -10.2 14.5 33 52 A I H >< S+ 0 0 23 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.956 110.6 44.4 -59.5 -51.6 55.8 -10.3 11.0 34 53 A I H >< S+ 0 0 9 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.905 108.8 58.9 -61.1 -37.6 54.6 -6.7 11.3 35 54 A A H 3< S+ 0 0 50 -4,-2.4 -1,-0.3 1,-0.3 6,-0.2 0.693 102.4 56.0 -64.5 -17.3 58.0 -5.8 12.7 36 55 A K T << S+ 0 0 140 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.122 72.1 147.8-103.2 21.9 59.6 -7.1 9.5 37 56 A A < - 0 0 13 -3,-1.6 5,-0.3 5,-0.2 4,-0.2 -0.341 60.5-111.1 -57.2 134.0 57.7 -4.9 7.1 38 57 A T S S+ 0 0 130 2,-0.1 -1,-0.1 3,-0.1 3,-0.0 0.855 106.1 48.1 -37.7 -64.5 60.0 -4.1 4.1 39 58 A P S > S- 0 0 66 0, 0.0 3,-1.7 0, 0.0 2,-0.3 -0.629 111.0 -97.2 -79.3 148.0 60.4 -0.5 4.7 40 59 A P T 3 S+ 0 0 133 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.441 106.7 3.9 -64.4 124.8 61.3 0.1 8.4 41 60 A G T 3 S+ 0 0 71 1,-0.3 -3,-0.1 -2,-0.3 56,-0.1 0.376 93.0 149.4 85.3 -6.0 58.2 1.0 10.3 42 61 A A < - 0 0 30 -3,-1.7 -1,-0.3 -5,-0.3 -5,-0.2 -0.304 46.9-117.8 -62.8 142.7 55.9 0.6 7.3 43 62 A F - 0 0 70 53,-0.1 2,-0.3 51,-0.1 53,-0.2 -0.364 25.6-147.0 -77.7 161.7 52.3 -0.5 8.1 44 63 A X B -A 95 0A 6 51,-2.3 51,-3.2 -2,-0.1 -10,-0.0 -0.988 5.2-134.1-134.5 142.2 51.0 -3.8 6.7 45 64 A S > - 0 0 2 -2,-0.3 4,-2.2 49,-0.3 5,-0.2 -0.472 34.8-105.3 -87.1 163.3 47.5 -5.0 5.6 46 65 A P H > S+ 0 0 14 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.856 121.4 55.5 -56.7 -35.2 46.0 -8.3 6.7 47 66 A S H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.942 107.3 47.5 -62.5 -49.8 46.7 -9.7 3.2 48 67 A E H 4 S+ 0 0 57 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.913 115.3 46.0 -57.1 -46.4 50.4 -8.9 3.4 49 68 A I H >X S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-0.5 0.925 109.4 55.2 -63.5 -45.0 50.5 -10.4 6.9 50 69 A A H >< S+ 0 0 5 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.846 102.4 57.3 -57.7 -35.1 48.6 -13.5 5.8 51 70 A S T 3< S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.659 99.4 59.8 -72.8 -14.3 51.1 -14.1 3.0 52 71 A K T <4 S+ 0 0 138 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.586 89.6 87.7 -89.6 -10.5 53.9 -14.3 5.6 53 72 A L S << S- 0 0 13 -3,-1.0 5,-0.1 -4,-0.5 -24,-0.0 -0.339 99.7 -64.3 -80.6 168.0 52.3 -17.2 7.4 54 73 A P > - 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.121 44.1-121.7 -51.9 148.7 53.0 -20.8 6.4 55 74 A A G > S+ 0 0 84 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.882 111.1 58.4 -60.6 -39.7 51.7 -21.8 2.9 56 75 A S G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.622 101.8 55.8 -66.9 -13.8 49.5 -24.6 4.4 57 76 A T G < S+ 0 0 47 -3,-1.2 2,-0.8 -7,-0.1 -1,-0.3 0.540 82.6 106.3 -95.7 -8.2 47.6 -22.1 6.5 58 77 A Q < + 0 0 90 -3,-1.3 2,-0.3 -4,-0.4 -7,-0.0 -0.635 38.8 153.1 -83.5 109.6 46.6 -19.8 3.6 59 78 A H > - 0 0 80 -2,-0.8 3,-2.3 1,-0.0 -2,-0.0 -0.839 58.6 -93.9-125.9 164.6 43.0 -20.1 2.6 60 79 A S T 3 S+ 0 0 127 -2,-0.3 4,-0.2 1,-0.3 -2,-0.0 0.824 123.2 44.6 -45.6 -43.1 40.6 -17.5 1.0 61 80 A D T 3> S+ 0 0 55 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.237 82.8 100.6 -92.1 13.7 39.3 -16.2 4.3 62 81 A L H <> S+ 0 0 14 -3,-2.3 4,-2.4 1,-0.2 5,-0.3 0.949 79.3 52.1 -64.4 -49.7 42.6 -15.9 6.1 63 82 A P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 110.6 49.1 -54.6 -40.3 43.1 -12.1 5.6 64 83 A N H > S+ 0 0 80 -4,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.883 110.4 50.1 -67.8 -38.0 39.6 -11.5 7.0 65 84 A R H X S+ 0 0 97 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.886 111.2 48.5 -67.4 -40.0 40.2 -13.6 10.1 66 85 A L H X S+ 0 0 2 -4,-2.4 4,-3.2 1,-0.2 3,-0.5 0.915 107.8 55.8 -65.6 -42.4 43.5 -12.0 10.8 67 86 A D H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.827 102.6 55.5 -59.4 -34.2 41.9 -8.5 10.5 68 87 A R H X S+ 0 0 18 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.864 113.1 41.8 -67.2 -35.3 39.2 -9.5 13.1 69 88 A X H X S+ 0 0 25 -4,-1.2 4,-2.3 -3,-0.5 3,-0.3 0.908 112.4 53.4 -75.0 -46.4 42.1 -10.3 15.5 70 89 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.859 102.9 59.0 -58.6 -36.4 44.1 -7.2 14.5 71 90 A R H X S+ 0 0 10 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.909 107.5 45.9 -58.7 -45.6 41.1 -5.0 15.2 72 91 A L H X S+ 0 0 0 -4,-1.0 4,-1.1 -3,-0.3 -2,-0.2 0.941 112.1 51.2 -62.8 -48.3 41.0 -6.2 18.8 73 92 A L H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 6,-1.0 0.844 111.4 47.3 -59.5 -35.4 44.7 -5.7 19.2 74 93 A A H ><5S+ 0 0 6 -4,-2.4 3,-1.7 4,-0.2 -1,-0.2 0.848 105.9 58.8 -74.1 -34.1 44.5 -2.2 17.9 75 94 A S H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.744 106.5 49.9 -66.2 -21.2 41.6 -1.5 20.2 76 95 A Y T 3<5S- 0 0 50 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.266 118.2-112.2 -99.8 11.3 43.9 -2.3 23.1 77 96 A S T < 5S+ 0 0 57 -3,-1.7 23,-0.4 2,-0.2 24,-0.4 0.684 88.2 115.1 67.5 20.9 46.7 -0.1 21.8 78 97 A V S - 0 0 68 4,-4.0 3,-2.7 -2,-0.5 -1,-0.0 -0.414 33.5 -84.6 -94.0 172.9 45.6 1.6 -3.3 87 106 A E T 3 S+ 0 0 207 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.772 126.5 47.7 -41.1 -44.8 46.3 2.1 -7.0 88 107 A D T 3 S- 0 0 128 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.269 124.8 -98.6 -87.8 13.5 42.7 2.2 -8.2 89 108 A G S < S+ 0 0 52 -3,-2.7 -2,-0.2 1,-0.3 -1,-0.1 0.207 81.7 136.9 91.4 -17.1 41.8 4.6 -5.4 90 109 A G - 0 0 29 -5,-0.1 -4,-4.0 1,-0.1 2,-0.4 -0.120 46.8-132.4 -59.7 162.2 40.4 1.9 -3.2 91 110 A A E - B 0 85A 76 -6,-0.3 2,-0.4 -3,-0.1 -6,-0.2 -0.927 20.2-174.9-122.0 145.4 41.3 2.0 0.5 92 111 A E E - B 0 84A 58 -8,-3.0 -8,-3.0 -2,-0.4 2,-0.2 -0.999 28.4-114.0-139.5 141.2 42.5 -0.8 2.8 93 112 A R E - B 0 83A 44 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.525 35.2-170.9 -74.4 135.2 43.2 -0.9 6.6 94 113 A V E - B 0 82A 3 -12,-2.8 -12,-1.8 -2,-0.2 2,-0.3 -0.892 6.8-145.2-126.4 158.1 46.8 -1.4 7.6 95 114 A Y E +AB 44 81A 0 -51,-3.2 -51,-2.3 -2,-0.3 2,-0.3 -0.936 15.0 175.0-129.5 150.7 48.5 -2.1 10.9 96 115 A G E - B 0 80A 4 -16,-2.4 -16,-2.3 -2,-0.3 2,-0.4 -0.812 37.6 -92.7-138.3 176.2 51.7 -1.2 12.7 97 116 A L E - B 0 79A 43 -18,-0.3 -18,-0.2 -2,-0.3 2,-0.1 -0.772 34.9-147.5 -95.5 140.1 53.2 -1.8 16.2 98 117 A S > - 0 0 26 -20,-1.8 4,-1.6 -2,-0.4 -18,-0.1 -0.255 40.1 -88.3 -91.5-174.3 52.7 0.8 18.9 99 118 A X T 4 S+ 0 0 150 1,-0.2 4,-0.2 2,-0.2 -21,-0.1 0.813 134.1 45.1 -65.1 -27.8 55.2 1.7 21.6 100 119 A V T >4 S+ 0 0 91 -23,-0.4 3,-1.7 1,-0.2 -1,-0.2 0.922 108.0 56.2 -78.9 -48.2 53.5 -1.1 23.6 101 120 A G G >4 S+ 0 0 0 -24,-0.4 3,-2.2 -23,-0.3 -2,-0.2 0.765 90.8 71.8 -56.5 -30.3 53.4 -3.6 20.8 102 121 A K G >< S+ 0 0 44 -4,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.756 85.0 68.4 -60.6 -24.1 57.1 -3.5 20.1 103 122 A Y G < S+ 0 0 74 -3,-1.7 10,-2.7 1,-0.3 11,-0.7 0.507 89.6 65.5 -73.1 -2.0 57.7 -5.4 23.4 104 123 A L G < S+ 0 0 26 -3,-2.2 -1,-0.3 8,-0.2 -72,-0.2 0.281 81.8 94.3-100.5 8.9 56.0 -8.4 21.7 105 124 A V S X S- 0 0 13 -3,-1.5 3,-1.9 6,-0.3 6,-0.2 -0.908 71.8-142.0-105.9 121.1 58.8 -8.7 19.2 106 125 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.871 100.4 47.2 -45.9 -50.0 61.7 -11.2 20.1 107 126 A D T 3 S+ 0 0 136 3,-0.0 5,-0.1 4,-0.0 -75,-0.0 0.522 79.5 136.2 -75.6 -4.1 64.5 -9.1 18.7 108 127 A E X - 0 0 45 -3,-1.9 3,-1.0 -6,-0.2 -5,-0.0 -0.186 49.7-148.1 -49.0 122.9 63.2 -5.9 20.4 109 128 A S T 3 S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.722 96.1 58.0 -67.8 -22.0 66.2 -4.0 22.0 110 129 A R T 3 S- 0 0 184 1,-0.3 -1,-0.2 -8,-0.1 2,-0.2 0.665 124.9 -80.5 -81.0 -16.8 64.0 -2.7 24.8 111 130 A G < - 0 0 28 -3,-1.0 2,-0.4 -6,-0.2 -1,-0.3 -0.499 34.9-105.3 131.8 157.9 63.1 -6.2 25.8 112 131 A Y + 0 0 87 -2,-0.2 -8,-0.2 -3,-0.1 -9,-0.1 -0.980 32.7 163.8-121.2 128.2 60.8 -9.1 24.9 113 132 A L >> + 0 0 112 -10,-2.7 3,-1.4 -2,-0.4 4,-0.6 0.426 51.9 92.7-121.4 -5.1 57.8 -9.9 27.1 114 133 A A H >> S+ 0 0 1 -11,-0.7 4,-1.5 1,-0.3 3,-1.0 0.834 75.0 69.5 -63.6 -31.3 55.5 -12.2 24.9 115 134 A S H 3> S+ 0 0 69 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.717 92.0 61.1 -60.1 -18.8 57.1 -15.4 26.2 116 135 A F H <> S+ 0 0 127 -3,-1.4 4,-2.4 2,-0.2 -1,-0.3 0.855 100.6 52.3 -77.6 -32.1 55.4 -14.7 29.6 117 136 A T H < S+ 0 0 114 -4,-1.6 3,-1.8 1,-0.2 6,-0.2 0.957 111.3 48.9 -59.8 -51.3 53.8 -19.5 30.0 120 139 A L H 3< S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 111.9 49.4 -58.0 -38.0 50.6 -18.3 31.5 121 140 A C T 3< S+ 0 0 33 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.407 80.0 131.4 -83.2 2.5 48.5 -19.8 28.8 122 141 A Y X> - 0 0 143 -3,-1.8 3,-1.8 -4,-0.3 4,-1.4 -0.346 67.1-122.0 -58.1 131.3 50.3 -23.2 29.1 123 142 A P H 3> S+ 0 0 97 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.842 109.1 57.3 -41.2 -50.6 47.6 -26.0 29.2 124 143 A A H 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.809 110.5 44.9 -56.3 -31.0 48.8 -27.3 32.6 125 144 A L H X> S+ 0 0 39 -3,-1.8 4,-2.6 -6,-0.2 3,-0.7 0.768 96.7 73.1 -85.8 -26.2 48.2 -23.9 34.2 126 145 A L H 3X S+ 0 0 63 -4,-1.4 4,-2.3 -3,-0.4 -2,-0.2 0.884 96.9 49.6 -55.2 -42.7 44.8 -23.1 32.6 127 146 A Q H 3< S+ 0 0 135 -4,-1.0 -1,-0.3 1,-0.2 4,-0.2 0.748 110.6 52.5 -69.9 -21.2 43.1 -25.6 34.9 128 147 A V H X4 S+ 0 0 82 -3,-0.7 3,-1.0 -4,-0.3 -2,-0.2 0.913 108.5 49.7 -77.5 -43.2 44.9 -24.0 37.8 129 148 A W H >< S+ 0 0 89 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.945 109.2 49.8 -58.2 -53.9 43.6 -20.5 36.8 130 149 A X T 3< S+ 0 0 118 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.510 110.3 51.9 -67.5 -4.6 40.0 -21.5 36.4 131 150 A N T X> S+ 0 0 72 -3,-1.0 3,-2.6 -4,-0.2 4,-0.5 0.060 70.4 129.3-116.0 21.0 40.1 -23.2 39.8 132 151 A F H X> + 0 0 141 -3,-1.9 4,-1.0 1,-0.3 3,-0.6 0.823 60.6 68.4 -43.3 -43.0 41.5 -20.1 41.5 133 152 A K H 3> S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.731 88.9 67.3 -53.8 -25.0 38.8 -20.1 44.2 134 153 A E H <> S+ 0 0 84 -3,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.956 97.8 47.8 -62.2 -53.7 40.4 -23.3 45.6 135 154 A A H << S+ 0 0 84 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.776 112.3 53.5 -59.4 -27.1 43.6 -21.8 46.8 136 155 A V H < S+ 0 0 104 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.950 112.3 39.0 -74.6 -50.4 41.6 -19.0 48.4 137 156 A V H < S+ 0 0 95 -4,-2.1 2,-0.5 1,-0.1 -2,-0.2 0.696 110.5 66.4 -75.4 -19.3 39.2 -21.1 50.5 138 157 A D < - 0 0 80 -4,-1.8 -1,-0.1 -5,-0.2 0, 0.0 -0.911 64.2-153.9-112.4 123.1 41.8 -23.7 51.6 139 158 A E 0 0 202 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.173 360.0 360.0 -74.1 22.4 44.8 -22.9 53.8 140 159 A D 0 0 194 -6,-0.2 -1,-0.2 -5,-0.0 -5,-0.1 0.962 360.0 360.0 -58.0 360.0 46.3 -25.9 51.9 141 ! 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 0.0 142 180 A K > 0 0 205 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.5 25.9 -28.7 32.5 143 181 A X H > + 0 0 169 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 360.0 58.7 -54.8 -43.9 27.2 -26.4 29.8 144 182 A N H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 106.3 47.1 -55.9 -45.3 23.7 -26.1 28.2 145 183 A Q H > S+ 0 0 103 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.863 112.1 49.5 -65.6 -39.0 22.2 -24.6 31.4 146 184 A I H X S+ 0 0 106 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.887 112.9 47.6 -68.5 -39.5 25.0 -22.2 31.9 147 185 A F H X S+ 0 0 113 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.960 113.4 46.0 -65.5 -52.6 24.8 -21.0 28.3 148 186 A N H X S+ 0 0 69 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.822 112.9 51.9 -60.4 -33.0 21.0 -20.5 28.4 149 187 A K H X S+ 0 0 121 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.940 110.8 45.8 -70.1 -47.7 21.2 -18.8 31.7 150 188 A S H X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.893 111.9 52.6 -62.5 -39.4 23.8 -16.3 30.5 151 189 A X H X S+ 0 0 59 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.894 109.8 48.2 -64.6 -38.2 21.9 -15.6 27.3 152 190 A V H X S+ 0 0 96 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.900 113.7 47.8 -68.0 -40.1 18.7 -14.9 29.3 153 191 A D H X S+ 0 0 90 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.933 112.6 45.3 -67.0 -49.9 20.6 -12.5 31.6 154 192 A V H X S+ 0 0 68 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.896 113.1 54.0 -61.2 -38.8 22.4 -10.5 29.0 155 193 A C H X S+ 0 0 9 -4,-1.8 4,-2.7 -5,-0.3 5,-0.2 0.893 106.5 49.5 -61.7 -44.0 19.2 -10.3 27.0 156 194 A A H X S+ 0 0 51 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.881 112.1 50.2 -64.0 -37.1 17.2 -8.9 29.9 157 195 A T H X S+ 0 0 70 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.943 113.3 44.2 -66.7 -48.7 19.9 -6.3 30.4 158 196 A E H X S+ 0 0 15 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.936 115.3 48.2 -61.5 -47.5 20.0 -5.2 26.7 159 197 A X H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.827 103.9 59.0 -65.4 -34.8 16.2 -5.1 26.4 160 198 A K H X S+ 0 0 142 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.965 112.7 40.6 -59.0 -48.7 15.6 -3.1 29.6 161 199 A R H >X S+ 0 0 47 -4,-1.5 4,-1.3 2,-0.2 3,-1.0 0.935 112.3 54.0 -64.4 -50.3 17.8 -0.3 28.2 162 200 A X H >X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.3 3,-1.1 0.935 105.7 53.4 -51.1 -52.8 16.5 -0.5 24.6 163 201 A L H 3< S+ 0 0 21 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.755 105.8 54.9 -56.5 -25.9 12.9 -0.1 25.7 164 202 A E H << S+ 0 0 119 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.800 121.7 25.7 -78.7 -27.3 13.8 3.1 27.6 165 203 A I H << S+ 0 0 49 -4,-1.3 2,-0.4 -3,-1.1 -2,-0.2 0.703 99.2 86.0-110.1 -25.0 15.4 4.8 24.6 166 204 A Y < + 0 0 5 -4,-3.1 3,-0.2 -5,-0.2 155,-0.1 -0.683 40.3 176.3 -86.2 130.0 13.8 3.4 21.4 167 205 A T > + 0 0 118 -2,-0.4 3,-0.9 1,-0.1 -1,-0.1 0.380 54.4 100.6-109.7 1.2 10.5 5.0 20.3 168 206 A G T 3 + 0 0 10 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.448 69.4 71.3 -68.8 0.5 10.1 3.1 17.1 169 207 A F T > S+ 0 0 0 -3,-0.2 3,-1.6 -6,-0.1 -1,-0.2 0.825 70.9 94.2 -85.7 -36.1 7.5 0.8 18.7 170 208 A E T < S+ 0 0 144 -3,-0.9 3,-0.1 1,-0.2 23,-0.0 -0.306 87.2 30.4 -56.4 138.7 4.6 3.2 19.0 171 209 A G T 3 S+ 0 0 84 1,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.451 85.9 129.4 92.4 -1.0 2.2 2.9 16.0 172 210 A I < - 0 0 18 -3,-1.6 -1,-0.3 1,-0.1 3,-0.2 -0.737 35.6-172.5 -93.5 138.2 2.8 -0.8 15.2 173 211 A S S S+ 0 0 76 -2,-0.4 24,-2.8 1,-0.3 2,-0.4 0.893 75.9 13.9 -90.0 -51.6 -0.1 -3.1 14.7 174 212 A T E -c 197 0B 28 22,-0.2 58,-1.1 2,-0.0 57,-0.9 -0.971 66.7-162.7-134.5 118.6 1.6 -6.5 14.4 175 213 A L E -cd 198 232B 0 22,-2.0 24,-2.6 -2,-0.4 2,-0.6 -0.873 5.2-157.9-103.5 127.7 5.2 -7.2 15.4 176 214 A V E -cd 199 233B 0 56,-2.6 58,-2.6 -2,-0.5 2,-1.0 -0.914 4.9-153.8-107.5 119.2 6.9 -10.3 14.1 177 215 A D E > -cd 200 234B 3 22,-3.1 24,-2.4 -2,-0.6 3,-1.3 -0.797 14.8-154.4 -94.2 99.3 10.0 -11.5 16.1 178 216 A V E 3 S+c 201 0B 0 56,-1.3 58,-0.3 -2,-1.0 24,-0.2 -0.641 81.5 3.5 -78.1 113.3 12.0 -13.4 13.5 179 217 A G T 3 S+ 0 0 3 22,-2.9 -1,-0.3 -2,-0.6 23,-0.2 0.851 86.6 159.1 77.8 37.0 14.2 -16.0 15.2 180 218 A G X - 0 0 4 21,-1.5 3,-2.5 -3,-1.3 5,-0.4 0.284 26.5-160.5 -79.0 10.2 12.6 -15.0 18.5 181 219 A G T 3 S- 0 0 12 20,-0.3 -1,-0.2 1,-0.3 -2,-0.1 -0.214 73.0 -0.5 52.1-121.9 13.4 -18.1 20.4 182 220 A S T 3 S- 0 0 54 28,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.572 96.9-116.4 -76.2 -12.3 11.2 -18.5 23.4 183 221 A G S <> S+ 0 0 0 -3,-2.5 4,-2.2 27,-0.1 -2,-0.1 0.504 78.4 126.1 88.3 5.7 9.3 -15.3 22.7 184 222 A R H > S+ 0 0 116 -4,-0.3 4,-1.6 2,-0.2 5,-0.1 0.856 70.1 51.7 -68.4 -34.0 10.6 -13.7 25.9 185 223 A N H > S+ 0 0 15 -5,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.933 110.5 49.7 -67.0 -42.6 12.0 -10.6 24.3 186 224 A L H > S+ 0 0 0 -6,-0.2 4,-2.9 1,-0.2 5,-0.3 0.914 105.3 58.5 -59.4 -43.7 8.7 -10.0 22.5 187 225 A E H X S+ 0 0 69 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.889 104.1 51.1 -53.0 -43.4 6.9 -10.4 25.8 188 226 A L H < S+ 0 0 66 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.894 112.4 46.2 -61.9 -40.7 8.9 -7.5 27.2 189 227 A I H X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.903 112.0 48.4 -68.8 -45.6 8.0 -5.3 24.2 190 228 A I H < S+ 0 0 17 -4,-2.9 2,-1.4 1,-0.2 -1,-0.2 0.752 101.4 72.0 -66.8 -23.9 4.3 -6.2 24.2 191 229 A S T < S+ 0 0 84 -4,-1.4 -1,-0.2 -5,-0.3 -4,-0.0 -0.715 109.6 26.3 -92.8 81.3 4.5 -5.5 27.9 192 230 A K T 4 S+ 0 0 101 -2,-1.4 -1,-0.2 0, 0.0 -2,-0.2 -0.150 129.6 46.0 153.0 -29.2 4.8 -1.7 27.4 193 231 A Y >< + 0 0 18 -4,-1.0 3,-2.3 -5,-0.1 -2,-0.1 -0.541 64.9 165.5-133.3 64.0 3.0 -1.7 24.2 194 232 A P T 3 S+ 0 0 103 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.561 70.6 69.1 -58.8 -9.3 -0.0 -4.0 24.9 195 233 A L T 3 S+ 0 0 161 2,-0.1 2,-0.4 -3,-0.1 -5,-0.1 0.582 79.7 94.3 -87.4 -8.8 -1.7 -2.8 21.7 196 234 A I S < S- 0 0 8 -3,-2.3 2,-0.6 -6,-0.2 -22,-0.2 -0.707 70.6-141.9 -86.7 129.0 0.8 -4.6 19.6 197 235 A K E -c 174 0B 161 -24,-2.8 -22,-2.0 -2,-0.4 2,-0.3 -0.806 26.5-150.8 -89.0 121.3 -0.1 -8.1 18.4 198 236 A G E -ce 175 216B 4 17,-2.0 19,-2.5 -2,-0.6 2,-0.5 -0.744 19.0-167.5-103.9 144.5 3.0 -10.2 18.5 199 237 A I E -ce 176 217B 23 -24,-2.6 -22,-3.1 -2,-0.3 2,-0.7 -0.979 9.6-157.1-125.4 116.3 4.1 -13.2 16.5 200 238 A N E -ce 177 218B 0 17,-2.2 19,-2.9 -2,-0.5 2,-0.5 -0.864 18.2-169.9 -95.4 115.7 7.1 -15.1 17.8 201 239 A F E +ce 178 219B 8 -24,-2.4 -22,-2.9 -2,-0.7 -21,-1.5 -0.924 22.2 126.3-115.0 123.9 8.6 -16.9 14.8 202 240 A D E - e 0 220B 4 17,-1.6 19,-1.9 -2,-0.5 5,-0.0 -0.909 61.7 -48.7-157.1-179.4 11.3 -19.6 15.0 203 241 A L >> - 0 0 44 -2,-0.3 4,-2.7 17,-0.2 3,-1.6 -0.258 53.1-117.3 -58.6 143.3 12.1 -23.2 14.0 204 242 A P H 3> S+ 0 0 66 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.876 116.1 56.1 -52.0 -38.7 9.4 -25.7 14.7 205 243 A Q H 34 S+ 0 0 116 1,-0.2 -2,-0.1 2,-0.2 15,-0.0 0.755 112.5 43.4 -65.9 -23.0 11.7 -27.6 17.1 206 244 A V H <4 S+ 0 0 40 -3,-1.6 -1,-0.2 1,-0.1 4,-0.2 0.897 108.8 54.9 -86.2 -47.0 12.2 -24.4 19.0 207 245 A I H >< S+ 0 0 25 -4,-2.7 2,-1.9 1,-0.2 3,-1.8 0.833 95.5 70.8 -56.3 -35.0 8.5 -23.3 19.0 208 246 A E T 3< S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.3 -5,-0.0 -0.468 103.9 38.4 -85.9 68.5 7.5 -26.6 20.6 209 247 A N T 3 S+ 0 0 144 -2,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.061 87.7 122.6 172.3 -3.5 9.1 -25.8 24.0 210 248 A A < - 0 0 19 -3,-1.8 -1,-0.1 -4,-0.2 -27,-0.1 -0.606 64.5-122.6 -77.4 132.3 8.0 -22.1 23.9 211 249 A P - 0 0 36 0, 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