==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-JUN-12 4FJQ . COMPND 2 MOLECULE: AMORPHA-4,11-DIENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTEMISIA ANNUA; . AUTHOR L.JIANXU,Z.PENG . 521 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 1 0.2 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 . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 0 1 0 2 4 1 3 0 2 0 1 0 0 1 2 1 0 0 1 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 17 A P 0 0 143 0, 0.0 2,-0.3 0, 0.0 245,-0.0 0.000 360.0 360.0 360.0 157.8 0.3 -17.7 4.1 2 18 A S > - 0 0 33 1,-0.1 3,-0.5 3,-0.0 246,-0.1 -0.561 360.0-155.4 -75.4 132.0 -0.1 -16.9 7.8 3 19 A I T 3 S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.478 82.6 70.7 -82.9 -3.4 1.2 -19.7 10.1 4 20 A W T > S- 0 0 11 1,-0.2 3,-1.4 2,-0.0 -1,-0.2 0.649 71.7-172.2 -96.1 -15.8 -1.0 -18.7 13.0 5 21 A G T < - 0 0 59 -3,-0.5 -1,-0.2 1,-0.2 3,-0.2 -0.376 61.4 -37.4 62.2-129.6 -4.4 -19.8 11.8 6 22 A D T >> S+ 0 0 112 1,-0.1 3,-1.3 -2,-0.1 4,-0.6 0.185 97.9 113.7-117.7 16.0 -7.2 -18.7 14.1 7 23 A Q T <4 S+ 0 0 91 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.765 85.0 42.3 -61.2 -25.1 -5.7 -19.2 17.5 8 24 A F T 34 S+ 0 0 5 -4,-0.2 -1,-0.3 -3,-0.2 222,-0.3 0.487 91.0 89.5-100.1 -2.1 -5.8 -15.4 18.2 9 25 A L T <4 S+ 0 0 27 -3,-1.3 2,-0.4 1,-0.1 222,-0.2 0.922 94.1 29.6 -62.6 -51.4 -9.3 -14.7 16.7 10 26 A I S < S- 0 0 109 -4,-0.6 2,-0.4 -3,-0.1 -1,-0.1 -0.931 82.2-137.6-113.9 135.2 -11.2 -15.3 19.9 11 27 A V - 0 0 39 -2,-0.4 2,-0.5 213,-0.1 -3,-0.1 -0.773 10.9-165.0 -99.1 137.4 -9.8 -14.6 23.3 12 28 A D - 0 0 133 -2,-0.4 2,-1.3 2,-0.1 -2,-0.0 -0.802 12.0-176.1-115.5 83.9 -10.2 -16.8 26.4 13 29 A N - 0 0 56 -2,-0.5 2,-0.7 207,-0.0 -2,-0.0 -0.678 1.6-174.9 -82.9 90.7 -9.1 -14.6 29.3 14 30 A Q - 0 0 166 -2,-1.3 2,-0.4 2,-0.0 -2,-0.1 -0.804 10.6-174.6 -86.8 114.3 -9.3 -16.9 32.3 15 31 A V - 0 0 80 -2,-0.7 2,-0.3 202,-0.0 -2,-0.0 -0.872 21.9-124.6-113.9 145.2 -8.5 -14.8 35.4 16 32 A E > - 0 0 96 -2,-0.4 3,-1.1 1,-0.1 2,-0.0 -0.623 36.1-102.3 -85.1 143.9 -8.1 -15.8 39.0 17 33 A Q T 3 S+ 0 0 186 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.322 97.8 11.7 -65.3 142.6 -10.3 -14.1 41.7 18 34 A G T >> S+ 0 0 47 1,-0.1 4,-1.8 3,-0.1 3,-0.8 0.538 77.5 131.8 72.8 6.9 -8.8 -11.4 43.9 19 35 A V H <> + 0 0 18 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.838 68.4 63.8 -57.7 -29.8 -5.7 -10.9 41.8 20 36 A E H 3> S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 103.4 46.5 -63.5 -37.7 -6.4 -7.2 42.0 21 37 A Q H <> S+ 0 0 92 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.952 112.1 49.4 -67.3 -51.4 -6.0 -7.2 45.8 22 38 A I H X S+ 0 0 66 -4,-1.8 4,-2.7 1,-0.2 3,-0.3 0.952 113.1 47.0 -49.7 -58.3 -2.7 -9.2 45.6 23 39 A V H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.851 110.2 53.1 -55.4 -40.7 -1.3 -6.9 43.0 24 40 A K H X S+ 0 0 97 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.879 111.8 45.1 -63.8 -40.3 -2.3 -3.8 45.0 25 41 A D H X S+ 0 0 63 -4,-2.3 4,-1.8 -3,-0.3 -2,-0.2 0.927 113.1 49.9 -68.7 -46.3 -0.6 -5.0 48.1 26 42 A L H X S+ 0 0 8 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.908 108.9 54.4 -57.6 -44.4 2.5 -6.1 46.2 27 43 A K H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.931 104.8 52.2 -53.6 -50.9 2.5 -2.6 44.6 28 44 A K H X S+ 0 0 129 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.885 108.3 52.6 -56.8 -38.4 2.5 -0.9 48.0 29 45 A E H X S+ 0 0 92 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.915 109.3 48.2 -62.2 -44.1 5.5 -3.0 49.0 30 46 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.908 108.9 52.9 -67.6 -39.6 7.5 -2.0 46.0 31 47 A R H X S+ 0 0 91 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.915 109.0 50.9 -59.3 -42.8 6.8 1.7 46.4 32 48 A Q H X S+ 0 0 86 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.905 107.9 52.0 -61.8 -43.6 8.0 1.5 50.0 33 49 A L H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.936 111.1 47.5 -56.0 -49.5 11.2 -0.2 48.8 34 50 A L H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 113.7 48.4 -57.7 -46.1 11.8 2.6 46.3 35 51 A K H X S+ 0 0 110 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 51.0 -60.6 -46.7 11.1 5.2 49.0 36 52 A E H X S+ 0 0 79 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.898 114.3 43.8 -59.4 -40.8 13.4 3.5 51.6 37 53 A A H < S+ 0 0 7 -4,-2.2 3,-0.3 -5,-0.2 10,-0.3 0.860 114.2 48.3 -77.3 -35.7 16.3 3.5 49.1 38 54 A L H < S+ 0 0 20 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.880 105.1 60.8 -69.1 -38.0 15.8 7.0 47.7 39 55 A D H < S+ 0 0 100 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.738 102.8 52.4 -64.4 -26.1 15.5 8.5 51.2 40 56 A I S >< S- 0 0 70 -4,-0.7 3,-2.8 -3,-0.3 -1,-0.1 -0.929 70.2-151.4-123.2 115.1 19.0 7.5 52.4 41 57 A P G > S+ 0 0 82 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.797 94.9 63.6 -53.7 -36.6 22.0 8.3 50.2 42 58 A M G 3 S+ 0 0 173 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.697 104.4 50.7 -59.0 -20.2 24.1 5.3 51.3 43 59 A K G <> S+ 0 0 64 -3,-2.8 4,-2.2 -6,-0.3 -1,-0.3 0.274 77.8 103.3-100.2 10.6 21.4 3.2 49.7 44 60 A H H <> S+ 0 0 4 -3,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.849 79.9 52.0 -67.4 -31.8 21.4 5.1 46.3 45 61 A A H > S+ 0 0 15 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.925 110.4 50.0 -64.2 -43.2 23.3 2.3 44.6 46 62 A N H > S+ 0 0 97 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.849 108.0 54.1 -60.5 -35.4 20.7 -0.1 45.9 47 63 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 -10,-0.3 -2,-0.2 0.929 107.0 49.5 -65.0 -44.6 18.1 2.3 44.5 48 64 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 111.0 51.2 -61.1 -41.2 19.6 2.2 41.1 49 65 A K H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.896 109.6 49.4 -62.1 -40.5 19.7 -1.6 41.3 50 66 A L H X S+ 0 0 18 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.902 109.8 50.9 -67.1 -42.1 16.0 -1.7 42.3 51 67 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.938 109.8 50.8 -59.1 -47.4 15.0 0.6 39.4 52 68 A D H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.882 111.2 48.4 -55.7 -41.8 17.0 -1.7 37.0 53 69 A E H X S+ 0 0 28 -4,-2.0 4,-2.6 2,-0.2 6,-0.2 0.932 110.9 49.5 -70.0 -43.9 15.1 -4.8 38.3 54 70 A I H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 4,-0.4 0.931 115.2 46.0 -55.9 -46.9 11.7 -3.1 38.0 55 71 A Q H ><5S+ 0 0 22 -4,-2.6 3,-0.8 1,-0.2 5,-0.3 0.917 116.5 42.1 -62.4 -47.9 12.6 -2.1 34.4 56 72 A R H 3<5S+ 0 0 27 -4,-2.8 137,-0.3 1,-0.2 138,-0.2 0.812 107.5 60.2 -76.7 -27.4 13.9 -5.4 33.3 57 73 A L T 3<5S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.588 115.4-118.5 -72.2 -10.4 11.2 -7.4 35.1 58 74 A G T < 5S+ 0 0 2 -3,-0.8 3,-0.3 -4,-0.4 -3,-0.2 0.583 85.4 105.9 90.6 13.9 8.8 -5.5 32.8 59 75 A I > < + 0 0 2 -5,-1.9 3,-1.5 -6,-0.2 4,-0.4 0.062 30.6 114.8-117.3 26.2 6.8 -3.6 35.4 60 76 A S G > + 0 0 21 -6,-0.4 3,-1.6 -5,-0.3 7,-0.2 0.800 68.4 72.1 -61.7 -26.3 8.0 -0.1 35.1 61 77 A Y G 3 S+ 0 0 13 1,-0.3 3,-0.3 -3,-0.3 -1,-0.3 0.660 93.3 55.3 -66.1 -15.3 4.5 0.9 33.9 62 78 A L G < S+ 0 0 33 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.652 117.8 32.8 -85.4 -17.8 3.3 0.4 37.4 63 79 A F S <> S+ 0 0 0 -3,-1.6 4,-2.9 -4,-0.4 5,-0.3 -0.156 72.7 135.4-132.8 36.6 5.8 2.8 38.9 64 80 A E H > S+ 0 0 82 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.918 78.3 41.4 -57.9 -49.3 6.3 5.5 36.2 65 81 A Q H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 115.5 51.0 -65.3 -43.7 6.2 8.5 38.6 66 82 A E H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.909 114.0 43.4 -62.5 -43.7 8.3 6.8 41.3 67 83 A I H X S+ 0 0 4 -4,-2.9 4,-2.9 -7,-0.2 5,-0.3 0.956 114.7 47.8 -68.0 -50.3 11.0 5.8 38.8 68 84 A D H X S+ 0 0 49 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.887 114.8 47.5 -57.5 -41.1 11.1 9.2 36.9 69 85 A H H X S+ 0 0 84 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.901 111.8 50.4 -67.7 -39.4 11.2 11.0 40.3 70 86 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.957 113.2 43.5 -65.3 -50.1 13.9 8.7 41.6 71 87 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.884 112.9 53.8 -64.4 -38.5 16.2 9.1 38.6 72 88 A Q H X S+ 0 0 84 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.919 109.4 47.8 -57.2 -46.3 15.5 12.9 38.5 73 89 A H H X S+ 0 0 62 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.884 111.6 50.6 -64.7 -38.1 16.6 13.1 42.2 74 90 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.5 0.931 112.2 46.8 -64.1 -43.7 19.7 11.1 41.5 75 91 A Y H X S+ 0 0 82 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.918 113.7 48.0 -65.7 -41.7 20.6 13.4 38.6 76 92 A E H < S+ 0 0 128 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.849 114.8 46.1 -64.3 -35.4 19.9 16.5 40.6 77 93 A T H < S+ 0 0 70 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.906 129.9 16.4 -78.1 -40.9 22.0 15.2 43.6 78 94 A Y H >< S- 0 0 63 -4,-2.3 3,-2.6 1,-0.2 -3,-0.2 0.636 77.8-174.4-110.6 -19.1 25.1 14.0 41.8 79 95 A G T 3< S- 0 0 21 -4,-1.9 3,-0.3 -5,-0.5 -1,-0.2 -0.360 75.8 -23.2 55.8-129.0 25.0 15.5 38.3 80 96 A D T 3 S+ 0 0 45 1,-0.2 -1,-0.3 21,-0.1 25,-0.1 0.312 126.6 84.1 -91.4 6.2 27.8 14.1 36.3 81 97 A N < + 0 0 129 -3,-2.6 2,-0.2 23,-0.0 -1,-0.2 -0.229 48.5 152.2-113.7 41.5 29.8 13.2 39.4 82 98 A W + 0 0 12 -3,-0.3 9,-0.0 1,-0.1 -7,-0.0 -0.530 6.3 163.6 -64.6 135.9 28.6 9.8 40.6 83 99 A S + 0 0 118 -2,-0.2 -1,-0.1 2,-0.0 3,-0.1 0.119 38.4 96.8-142.7 24.5 31.3 8.0 42.4 84 100 A G S S- 0 0 48 1,-0.3 3,-0.4 2,-0.1 -42,-0.0 0.018 83.9 -52.3 -91.4-158.9 29.6 5.2 44.4 85 101 A D S S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.1 5,-0.1 -0.272 117.6 30.6 -66.3 165.7 29.0 1.5 43.7 86 102 A R > + 0 0 52 1,-0.1 4,-2.8 3,-0.1 -1,-0.2 0.825 65.8 161.8 54.2 40.5 27.4 0.4 40.3 87 103 A S H > S+ 0 0 19 -3,-0.4 4,-2.4 1,-0.2 5,-0.1 0.854 73.6 54.1 -61.3 -33.8 28.9 3.4 38.4 88 104 A S H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 110.2 46.8 -66.7 -37.3 28.3 1.5 35.1 89 105 A L H > S+ 0 0 2 2,-0.2 4,-2.9 -3,-0.2 5,-0.4 0.948 110.4 52.7 -66.0 -48.6 24.6 1.0 36.0 90 106 A W H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.946 109.9 49.2 -48.8 -52.4 24.3 4.7 37.0 91 107 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 114.0 44.4 -57.9 -47.6 25.7 5.7 33.6 92 108 A R H X S+ 0 0 14 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.930 113.4 48.1 -66.7 -46.2 23.3 3.5 31.6 93 109 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.872 112.3 51.5 -63.5 -36.9 20.1 4.3 33.6 94 110 A M H <>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.4 4,-0.4 0.961 113.1 43.1 -62.5 -51.6 20.9 8.0 33.3 95 111 A R H ><5S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.916 111.7 54.7 -63.0 -39.1 21.4 7.8 29.5 96 112 A K H 3<5S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.869 106.1 53.1 -59.3 -35.2 18.3 5.6 29.1 97 113 A Q T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.534 127.8-101.2 -79.3 -4.6 16.4 8.3 31.0 98 114 A G T < 5S+ 0 0 5 -3,-1.6 2,-0.6 -4,-0.4 -3,-0.2 0.387 78.7 134.7 101.1 -3.1 17.6 10.9 28.5 99 115 A Y < - 0 0 55 -5,-2.2 2,-2.3 -6,-0.2 -1,-0.3 -0.727 51.5-142.2 -83.8 119.8 20.4 12.5 30.6 100 116 A F + 0 0 75 -2,-0.6 -1,-0.1 371,-0.3 -5,-0.1 -0.342 31.7 176.6 -82.0 61.0 23.5 12.9 28.5 101 117 A V - 0 0 0 -2,-2.3 2,-0.1 -10,-0.2 -21,-0.1 -0.275 26.5-117.2 -61.5 149.1 26.0 12.1 31.3 102 118 A T > - 0 0 45 1,-0.1 3,-0.6 -22,-0.1 -1,-0.1 -0.417 14.7-116.8 -85.9 167.1 29.7 12.0 30.3 103 119 A C G > S+ 0 0 11 1,-0.2 3,-2.4 2,-0.1 4,-0.4 0.348 85.6 107.3 -80.3 4.1 32.1 9.0 30.4 104 120 A D G > + 0 0 100 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.812 68.1 68.9 -53.4 -29.1 34.3 10.7 33.0 105 121 A V G X S+ 0 0 18 -3,-0.6 3,-0.6 1,-0.3 -1,-0.3 0.759 92.7 58.7 -62.1 -24.6 32.9 8.2 35.5 106 122 A F G X S+ 0 0 2 -3,-2.4 3,-2.3 1,-0.2 -1,-0.3 0.610 78.5 88.4 -84.5 -12.8 34.8 5.4 33.7 107 123 A N G X S+ 0 0 81 -3,-1.4 3,-1.5 -4,-0.4 -1,-0.2 0.865 85.1 55.9 -50.7 -38.8 38.3 6.9 34.2 108 124 A N G < S+ 0 0 131 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.418 88.0 75.1 -82.4 4.3 38.6 5.2 37.5 109 125 A H G < S+ 0 0 25 -3,-2.3 8,-2.5 2,-0.1 2,-0.3 0.496 90.1 82.3 -80.8 -7.7 38.0 1.8 36.0 110 126 A K B < S-A 116 0A 74 -3,-1.5 6,-0.3 6,-0.3 2,-0.0 -0.736 79.0-121.2-104.0 151.3 41.5 2.2 34.7 111 127 A D > - 0 0 63 4,-3.3 3,-1.4 -2,-0.3 -1,-0.1 -0.133 33.7-101.9 -72.6 172.6 44.9 1.6 36.4 112 128 A E T 3 S+ 0 0 208 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.770 128.7 60.7 -63.9 -26.5 47.8 3.9 37.0 113 129 A S T 3 S- 0 0 105 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0.891 112.4 55.8 -71.1 -38.5 5.0 17.9 14.7 407 423 A E H X S+ 0 0 100 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.924 108.1 51.4 -55.4 -40.9 7.4 20.8 14.0 408 424 A W H < S+ 0 0 30 -4,-2.2 3,-0.5 -5,-0.2 4,-0.3 0.954 109.5 46.5 -63.0 -52.6 10.2 18.4 14.8 409 425 A A H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.903 108.4 55.4 -55.9 -47.2 9.0 15.6 12.5 410 426 A V H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 98.2 70.2 -56.7 -27.5 8.5 18.1 9.6 411 427 A S T 3< S- 0 0 74 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.546 104.3-124.8 -56.5 -22.7 12.2 19.1 10.2 412 428 A E < - 0 0 95 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.995 35.7-152.0 57.3 65.3 13.6 15.9 8.9 413 429 A P > - 0 0 5 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.312 19.6-119.8 -63.0 146.6 15.4 15.3 12.1 414 430 A P H > S+ 0 0 42 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.870 110.7 62.7 -58.3 -35.5 18.6 13.4 12.0 415 431 A L H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.921 108.5 40.5 -57.0 -44.9 17.1 10.8 14.3 416 432 A L H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.836 113.9 53.1 -77.1 -32.3 14.4 9.8 11.8 417 433 A R H X S+ 0 0 79 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.929 109.4 49.4 -62.5 -46.1 16.7 10.0 8.8 418 434 A Y H X S+ 0 0 49 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.886 107.8 55.0 -59.7 -41.0 19.1 7.6 10.6 419 435 A K H X S+ 0 0 6 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.946 110.4 45.3 -57.3 -50.9 16.1 5.3 11.3 420 436 A G H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.920 114.7 46.8 -59.6 -46.5 15.3 5.2 7.6 421 437 A I H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.916 113.8 48.6 -62.8 -41.1 18.9 4.6 6.5 422 438 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.905 110.1 52.1 -65.3 -41.7 19.4 2.0 9.2 423 439 A G H X S+ 0 0 11 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.895 111.6 46.2 -59.4 -42.8 16.2 0.2 8.1 424 440 A R H X S+ 0 0 54 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.894 112.4 49.9 -69.6 -41.2 17.4 0.2 4.5 425 441 A R H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.860 113.3 46.4 -62.9 -37.5 20.8 -1.1 5.4 426 442 A L H < S+ 0 0 17 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.883 114.8 46.6 -74.9 -41.4 19.4 -3.9 7.5 427 443 A N H >< S+ 0 0 33 -4,-2.1 3,-0.8 -5,-0.2 4,-0.4 0.892 110.9 51.0 -63.8 -44.4 17.0 -4.8 4.9 428 444 A D H >< S+ 0 0 38 -4,-2.8 3,-1.0 1,-0.2 8,-0.6 0.940 110.1 52.0 -56.1 -50.5 19.5 -4.8 2.1 429 445 A L T 3< S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.519 116.8 38.2 -66.8 -16.1 21.7 -6.9 4.2 430 446 A A T < S- 0 0 23 -3,-0.8 69,-0.6 -4,-0.5 -1,-0.2 0.149 127.0 -72.5-109.9 7.0 18.9 -9.5 4.8 431 447 A G < 0 0 34 -3,-1.0 68,-0.1 -4,-0.4 -2,-0.1 0.558 360.0 360.0 101.9 109.6 17.1 -9.6 1.4 432 448 A H 0 0 98 -4,-0.2 -4,-0.1 -3,-0.0 -1,-0.1 0.676 360.0 360.0 -69.2 360.0 14.9 -6.9 0.1 433 ! 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 0.0 434 458 A S > 0 0 87 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 59.4 23.5 -11.2 -0.8 435 459 A S H > + 0 0 81 1,-0.3 4,-0.6 2,-0.2 -6,-0.1 0.730 360.0 30.2 -55.8 -36.7 21.7 -8.8 -3.2 436 460 A S H > S+ 0 0 28 -8,-0.6 4,-0.9 2,-0.2 -1,-0.3 0.710 118.0 59.2 -93.5 -22.1 22.8 -5.4 -1.9 437 461 A V H > S+ 0 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0.893 110.5 50.9 -62.1 -38.5 10.8 1.2 16.8 488 512 A V H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.955 111.0 46.5 -60.7 -54.3 14.4 1.7 15.9 489 513 A H H >X S+ 0 0 3 -4,-2.7 3,-1.3 1,-0.2 4,-0.8 0.813 102.1 67.3 -58.5 -29.5 15.6 -1.3 18.0 490 514 A F H >X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.3 3,-0.7 0.843 85.1 71.3 -61.8 -30.3 12.7 -3.3 16.5 491 515 A L H > - 0 0 20 -69,-0.6 4,-1.8 -2,-0.3 3,-0.5 -0.606 55.0-169.2 -74.5 92.1 12.9 -10.2 6.3 500 524 A N T 34 S+ 0 0 5 -6,-2.2 -1,-0.2 -2,-1.7 -5,-0.1 0.811 78.4 57.6 -62.8 -26.9 10.8 -11.8 9.1 501 525 A F T 34 S+ 0 0 12 -7,-0.4 -1,-0.2 1,-0.2 -250,-0.1 0.904 114.2 34.0 -62.8 -45.8 7.8 -9.8 8.0 502 526 A T T <4 S+ 0 0 61 -3,-0.5 -2,-0.2 -256,-0.0 -1,-0.2 0.713 141.3 8.4 -88.1 -20.3 7.7 -11.1 4.4 503 527 A R S < S- 0 0 60 -4,-1.8 -3,-0.2 2,-0.0 -2,-0.0 0.594 89.1-117.9-120.2 -96.0 8.9 -14.6 5.3 504 528 A M - 0 0 34 -5,-0.2 -4,-0.1 0, 0.0 2,-0.1 0.363 15.8-157.2 146.8 92.0 9.4 -15.8 9.0 505 529 A G > - 0 0 18 -7,-0.2 4,-1.0 1,-0.1 3,-0.2 -0.447 29.5-117.0 -70.4 153.9 12.7 -16.8 10.5 506 530 A E H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.768 110.3 59.2 -64.6 -35.3 12.4 -19.1 13.5 507 531 A E H > S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.950 107.2 51.4 -64.3 -35.1 13.9 -16.9 16.2 508 532 A Y H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.888 105.5 55.5 -62.8 -41.8 11.1 -14.4 15.3 509 533 A K H X S+ 0 0 57 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.927 108.1 48.0 -58.9 -45.9 8.4 -17.1 15.6 510 534 A N H X S+ 0 0 77 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.797 105.1 57.5 -72.5 -28.6 9.5 -17.9 19.1 511 535 A L H X S+ 0 0 32 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.938 107.5 49.9 -60.8 -45.6 9.6 -14.3 20.2 512 536 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.4 0.940 112.3 46.2 -59.0 -48.8 5.9 -14.0 19.2 513 537 A K H X>S+ 0 0 60 -4,-1.9 4,-2.5 1,-0.2 5,-2.1 0.908 109.6 53.6 -63.6 -40.9 5.0 -17.1 21.2 514 538 A S H <5S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 118.0 38.0 -65.4 -28.1 6.9 -16.1 24.2 515 539 A L H <5S+ 0 0 4 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.860 133.9 17.8 -85.4 -37.9 5.1 -12.8 24.2 516 540 A L H <5S+ 0 0 0 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.602 126.7 36.6-115.3 -17.3 1.6 -13.9 23.2 517 541 A V T <5S+ 0 0 37 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.849 100.4 59.9-111.3 -48.0 1.2 -17.6 23.7 518 542 A Y < - 0 0 147 -5,-2.1 2,-0.2 3,-0.0 -1,-0.2 -0.791 65.9-152.8 -96.5 119.3 3.0 -18.9 26.8 519 543 A P - 0 0 79 0, 0.0 3,-0.1 0, 0.0 -303,-0.1 -0.618 32.3 -96.5 -82.5 145.0 2.0 -17.5 30.2 520 544 A M - 0 0 38 -308,-0.3 2,-0.3 -2,-0.2 -329,-0.0 -0.305 49.0-102.5 -55.7 144.6 4.5 -17.4 33.1 521 545 A S 0 0 80 1,-0.2 -1,-0.1 -3,-0.1 -309,-0.0 -0.570 360.0 360.0 -75.9 129.6 4.0 -20.4 35.4 522 546 A I 0 0 166 -2,-0.3 -1,-0.2 -3,-0.1 -309,-0.1 0.799 360.0 360.0 64.5 360.0 2.2 -19.7 38.7