==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, TRANSCRIPTION 14-MAR-12 4E5J . COMPND 2 MOLECULE: POLYMERASE PROTEIN PA; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.M.DUBOIS,P.J.SLAVISH,T.R.WEBB,S.W.WHITE . 722 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 24 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 0 1 4 0 0 1 0 7 3 0 4 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 4 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 0 12 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 4 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 1 A M > 0 0 43 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.4 -26.6 -5.2 -32.7 2 2 A E H > + 0 0 34 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.912 360.0 43.7 -56.5 -47.5 -24.7 -2.9 -30.3 3 3 A D H > S+ 0 0 128 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.809 111.4 55.5 -70.3 -32.3 -27.9 -1.6 -28.9 4 4 A F H >> S+ 0 0 7 2,-0.2 4,-1.5 1,-0.2 3,-0.7 0.966 108.4 47.0 -62.1 -53.6 -29.4 -5.1 -28.8 5 5 A V H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.3 0.887 108.7 55.2 -53.6 -46.0 -26.5 -6.4 -26.6 6 6 A R H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.748 117.2 35.8 -65.6 -25.0 -26.7 -3.4 -24.2 7 7 A Q H << S+ 0 0 122 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.557 115.7 54.9-103.0 -9.5 -30.4 -4.1 -23.5 8 8 A C H < S+ 0 0 21 -4,-1.5 2,-0.3 -3,-0.3 -2,-0.2 0.814 108.2 45.5 -89.4 -35.9 -30.2 -7.9 -23.7 9 9 A F S < S- 0 0 6 -4,-2.2 31,-0.1 -5,-0.2 30,-0.0 -0.768 94.6 -98.9-108.0 154.9 -27.4 -8.5 -21.1 10 10 A N >> - 0 0 74 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.344 36.7-110.2 -69.9 153.9 -27.1 -6.9 -17.7 11 11 A P H 3> S+ 0 0 103 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.804 115.5 58.2 -54.8 -37.1 -24.7 -3.9 -17.4 12 12 A M H 3> S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.905 109.8 44.3 -60.8 -42.0 -22.2 -5.8 -15.3 13 13 A I H <> S+ 0 0 3 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.940 115.3 47.6 -67.5 -48.2 -21.8 -8.4 -18.1 14 14 A V H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 3,-0.2 0.953 111.5 51.4 -53.1 -54.5 -21.6 -5.6 -20.7 15 15 A E H X S+ 0 0 104 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.888 112.0 46.4 -48.1 -48.9 -19.1 -3.8 -18.6 16 16 A L H X S+ 0 0 45 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.817 111.7 51.3 -68.0 -32.4 -17.0 -6.9 -18.3 17 17 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -3,-0.2 -2,-0.2 0.893 109.9 49.1 -71.5 -41.7 -17.3 -7.6 -22.1 18 18 A E H X S+ 0 0 38 -4,-2.8 4,-3.2 2,-0.2 3,-0.3 0.956 111.5 48.4 -61.4 -51.9 -16.2 -4.1 -23.0 19 19 A K H X S+ 0 0 127 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.888 110.9 52.4 -53.6 -41.3 -13.1 -4.3 -20.7 20 20 A A H < S+ 0 0 43 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.850 113.9 42.4 -67.1 -35.0 -12.3 -7.7 -22.2 21 21 A M H ><>S+ 0 0 0 -4,-1.9 5,-2.7 -3,-0.3 3,-0.8 0.868 113.4 51.9 -76.9 -39.5 -12.4 -6.3 -25.7 22 22 A K H ><5S+ 0 0 137 -4,-3.2 3,-2.0 1,-0.2 -2,-0.2 0.874 101.0 61.6 -63.6 -38.9 -10.6 -3.1 -24.7 23 23 A E T 3<5S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.700 110.5 41.8 -60.4 -20.3 -7.7 -5.1 -23.1 24 24 A Y T < 5S- 0 0 159 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.251 119.1-114.1-107.9 7.6 -7.2 -6.5 -26.6 25 25 A G T < 5 + 0 0 70 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.734 67.7 140.3 67.4 27.4 -7.6 -3.1 -28.3 26 26 A E < - 0 0 43 -5,-2.7 -1,-0.2 -8,-0.1 -2,-0.1 -0.706 51.6-123.9-102.4 154.8 -10.8 -4.0 -30.2 27 27 A D >> - 0 0 67 -2,-0.3 4,-3.0 1,-0.1 3,-1.4 -0.851 9.9-161.9-105.4 106.9 -13.9 -1.7 -30.6 28 28 A P T 34 S+ 0 0 7 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.754 93.8 61.5 -54.7 -27.9 -17.3 -3.1 -29.4 29 29 A K T 34 S+ 0 0 121 1,-0.1 3,-0.3 -3,-0.1 -27,-0.2 0.851 117.0 28.8 -65.4 -38.9 -18.9 -0.5 -31.6 30 30 A I T <4 S+ 0 0 126 -3,-1.4 2,-1.5 1,-0.2 3,-0.2 0.912 121.4 48.0 -88.7 -51.5 -17.3 -2.1 -34.7 31 31 A E X + 0 0 90 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 -0.599 68.3 153.8 -90.9 74.8 -16.9 -5.7 -33.8 32 32 A T H > + 0 0 31 -2,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.786 63.8 58.2 -77.6 -29.1 -20.4 -6.2 -32.5 33 33 A N H > S+ 0 0 27 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 108.9 45.7 -67.6 -38.9 -20.7 -10.0 -33.2 34 34 A K H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.848 109.6 56.3 -70.3 -35.8 -17.7 -10.7 -31.0 35 35 A F H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.943 109.6 45.7 -58.8 -49.8 -19.2 -8.3 -28.4 36 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 113.0 50.4 -57.6 -44.8 -22.4 -10.4 -28.4 37 37 A A H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.869 109.7 50.1 -65.4 -38.2 -20.4 -13.7 -28.2 38 38 A I H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 112.3 45.9 -68.7 -45.9 -18.4 -12.4 -25.3 39 39 A C H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.887 113.5 50.9 -60.0 -45.2 -21.5 -11.3 -23.3 40 40 A T H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.941 110.5 48.1 -57.4 -47.9 -23.2 -14.6 -24.1 41 41 A H H X S+ 0 0 31 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.911 113.0 48.3 -64.6 -41.7 -20.2 -16.6 -22.9 42 42 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.944 110.1 51.5 -60.2 -47.6 -19.9 -14.6 -19.7 43 43 A E H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.925 110.8 48.5 -59.8 -45.3 -23.6 -15.0 -19.0 44 44 A V H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.923 108.6 54.2 -56.6 -48.5 -23.3 -18.8 -19.5 45 45 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.914 112.1 43.6 -53.7 -43.3 -20.3 -18.9 -17.2 46 46 A F H X S+ 0 0 48 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.924 112.8 50.6 -73.4 -41.9 -22.2 -17.1 -14.4 47 47 A M H X S+ 0 0 28 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.951 112.1 50.1 -54.4 -45.4 -25.4 -19.2 -14.8 48 48 A Y H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 4,-0.5 0.938 108.2 50.2 -60.3 -54.0 -23.1 -22.2 -14.7 49 49 A S H >< S+ 0 0 24 -4,-2.4 3,-0.8 1,-0.3 8,-0.3 0.860 111.1 51.6 -51.8 -36.5 -21.4 -21.2 -11.4 50 50 A D H 3< S+ 0 0 96 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.710 92.7 76.1 -74.4 -21.0 -24.8 -20.6 -10.0 51 50AA G T << S+ 0 0 14 -3,-1.3 94,-0.3 -4,-1.1 -1,-0.2 0.651 90.2 64.7 -64.1 -21.2 -26.0 -24.0 -10.9 52 50BA G S < S- 0 0 19 -3,-0.8 92,-0.1 -4,-0.5 5,-0.0 -0.319 102.4 -66.9 -95.9-178.2 -24.1 -25.7 -8.1 53 50CA S S > S- 0 0 59 -2,-0.1 3,-2.3 1,-0.1 4,-0.4 -0.357 71.3 -84.9 -64.8 151.3 -24.2 -25.8 -4.4 54 73 A K T 3 S+ 0 0 172 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.739 121.4 25.7 -31.2 -55.0 -23.2 -22.4 -2.9 55 74 A H T 3 S+ 0 0 70 1,-0.2 -1,-0.3 360,-0.1 38,-0.1 0.306 88.0 108.6-107.1 22.6 -19.4 -22.7 -2.9 56 75 A R < + 0 0 16 -3,-2.3 37,-3.7 -7,-0.1 2,-0.5 0.835 69.9 55.4 -62.5 -35.4 -18.7 -25.2 -5.6 57 76 A F E -A 92 0A 22 -4,-0.4 2,-0.5 -3,-0.3 35,-0.2 -0.852 58.1-155.6-115.9 130.9 -17.2 -23.0 -8.2 58 77 A E E -A 91 0A 36 33,-2.8 33,-2.4 -2,-0.5 2,-0.6 -0.823 28.4-137.4 -84.5 132.6 -14.3 -20.7 -8.3 59 78 A I E +A 90 0A 50 -2,-0.5 31,-0.2 31,-0.2 30,-0.1 -0.837 34.0 163.8 -94.6 120.9 -15.0 -18.2 -11.1 60 79 A I > + 0 0 2 29,-2.3 3,-0.9 -2,-0.6 30,-0.2 0.790 53.8 77.2-101.8 -45.0 -11.9 -17.5 -13.2 61 80 A E T 3 S+ 0 0 67 28,-2.1 3,-0.1 1,-0.2 28,-0.1 -0.226 86.9 39.9 -63.1 155.4 -13.4 -15.9 -16.3 62 81 A G T 3 S+ 0 0 24 1,-0.3 2,-0.3 -46,-0.1 -1,-0.2 0.420 94.5 109.4 82.0 -2.1 -14.5 -12.3 -16.1 63 82 A R S < S- 0 0 91 -3,-0.9 -1,-0.3 1,-0.1 2,-0.1 -0.699 83.1 -91.8-101.7 156.2 -11.4 -11.4 -14.0 64 83 A D > - 0 0 95 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.445 46.1-114.0 -63.6 139.9 -8.4 -9.3 -15.0 65 84 A R H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 110.1 51.1 -45.8 -58.1 -5.8 -11.8 -16.3 66 85 A T H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 113.4 44.5 -48.6 -53.2 -3.1 -11.4 -13.6 67 86 A M H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 109.9 57.5 -65.2 -31.9 -5.6 -11.9 -10.7 68 87 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 108.0 46.8 -61.1 -45.4 -7.1 -14.9 -12.7 69 88 A W H X S+ 0 0 47 -4,-2.5 4,-3.5 1,-0.2 5,-0.2 0.922 108.1 55.5 -61.4 -43.4 -3.6 -16.5 -12.8 70 89 A T H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.889 110.0 46.6 -56.2 -42.6 -3.0 -15.9 -9.1 71 90 A V H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.902 112.1 49.2 -68.7 -44.2 -6.2 -17.7 -8.3 72 91 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.961 111.1 51.0 -56.5 -51.8 -5.4 -20.6 -10.6 73 92 A N H X S+ 0 0 29 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.907 109.6 51.0 -50.5 -45.6 -1.9 -20.8 -9.0 74 93 A S H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.891 111.2 46.2 -62.5 -44.5 -3.6 -20.9 -5.6 75 94 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 6,-0.4 0.909 113.4 50.3 -64.4 -41.7 -5.9 -23.7 -6.5 76 95 A C H X S+ 0 0 14 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.922 112.1 45.8 -63.6 -44.2 -3.1 -25.7 -8.1 77 96 A N H < S+ 0 0 99 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.739 119.0 42.3 -73.9 -21.1 -0.8 -25.4 -5.1 78 97 A T H < S+ 0 0 25 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.624 123.5 33.1-100.7 -15.5 -3.5 -26.3 -2.7 79 98 A T H < S- 0 0 50 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.609 96.9-123.9-111.3 -20.2 -5.2 -29.1 -4.5 80 99 A G < + 0 0 67 -4,-2.0 -4,-0.1 -5,-0.3 -3,-0.1 0.228 61.2 143.3 92.6 -13.1 -2.3 -30.8 -6.4 81 100 A V - 0 0 17 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.310 57.8-100.3 -64.5 140.6 -4.0 -30.4 -9.8 82 101 A E - 0 0 148 1,-0.1 -1,-0.1 -3,-0.1 -5,-0.0 -0.272 37.9-105.1 -61.7 146.8 -1.7 -29.6 -12.7 83 102 A K - 0 0 116 -3,-0.1 -1,-0.1 1,-0.1 -10,-0.0 -0.621 35.2-128.4 -78.0 119.4 -1.5 -25.9 -13.9 84 103 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 -0.290 6.7-133.8 -66.8 154.0 -3.4 -25.4 -17.2 85 104 A K S S+ 0 0 182 34,-0.3 2,-0.3 2,-0.1 35,-0.0 0.713 90.1 36.9 -80.8 -22.3 -1.5 -23.8 -20.0 86 105 A F S S- 0 0 99 33,-0.1 -1,-0.0 0, 0.0 33,-0.0 -0.926 100.8 -90.1-127.6 151.4 -4.4 -21.4 -20.8 87 106 A L - 0 0 47 -2,-0.3 -2,-0.1 2,-0.0 -18,-0.0 -0.451 43.0-155.3 -61.5 118.9 -6.9 -19.7 -18.5 88 107 A P - 0 0 5 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.220 18.7-120.2 -81.6-176.1 -9.9 -21.9 -18.0 89 108 A D S S+ 0 0 2 10,-2.2 -29,-2.3 1,-0.2 -28,-2.1 0.777 79.6 1.9 -98.5 -30.6 -13.4 -20.4 -17.0 90 109 A L E -AB 59 99A 0 9,-1.8 9,-2.3 -31,-0.2 2,-0.4 -0.941 54.9-134.3-147.1 163.6 -14.1 -22.1 -13.6 91 110 A Y E -AB 58 98A 0 -33,-2.4 -33,-2.8 -2,-0.3 2,-0.7 -0.993 18.7-144.6-125.7 130.0 -12.8 -24.4 -11.0 92 111 A D E >> -AB 57 97A 0 5,-3.2 5,-1.3 -2,-0.4 4,-0.9 -0.786 10.2-170.3 -92.1 112.2 -15.1 -27.1 -9.6 93 112 A Y T 45S+ 0 0 6 -37,-3.7 -1,-0.2 -2,-0.7 -36,-0.1 0.858 86.2 53.0 -70.0 -33.4 -14.4 -27.7 -5.9 94 113 A K T 45S+ 0 0 118 -38,-0.3 -1,-0.2 1,-0.2 -37,-0.1 0.937 119.9 30.1 -64.8 -47.8 -16.6 -30.8 -5.8 95 114 A E T 45S- 0 0 79 2,-0.2 -1,-0.2 -39,-0.1 -2,-0.2 0.477 101.4-127.0 -94.5 -1.7 -15.0 -32.6 -8.7 96 115 A N T <5 + 0 0 95 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.942 69.2 109.8 52.2 54.1 -11.5 -31.2 -8.2 97 116 A R E < -B 92 0A 30 -5,-1.3 -5,-3.2 -16,-0.1 -1,-0.2 -0.999 66.9-117.9-151.2 152.3 -11.1 -30.0 -11.8 98 117 A F E -B 91 0A 3 -2,-0.3 27,-2.4 -7,-0.3 2,-0.4 -0.498 31.4-146.7 -77.2 160.9 -11.0 -26.8 -13.9 99 118 A I E -Bc 90 125A 0 -9,-2.3 -10,-2.2 25,-0.2 -9,-1.8 -0.999 10.1-157.9-133.6 136.8 -13.7 -26.3 -16.5 100 119 A E E - 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0 0 100 19,-0.1 -4,-1.7 2,-0.0 2,-0.3 -0.562 36.1-173.2 -96.6 164.2 -27.3 -29.3 -27.4 135 154 A E E -D 129 0A 27 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.986 7.6-166.2-147.9 148.7 -24.4 -29.8 -25.1 136 155 A M E +D 128 0A 69 -8,-1.5 -8,-2.8 -2,-0.3 2,-0.3 -0.995 12.8 178.6-138.3 134.8 -21.2 -32.0 -25.1 137 156 A A E > -D 127 0A 6 -2,-0.4 3,-2.6 -10,-0.2 -10,-0.2 -0.994 40.2 -83.7-138.7 150.2 -19.0 -32.5 -22.2 138 157 A T G > S- 0 0 24 -12,-2.0 3,-2.4 -2,-0.3 -13,-0.0 -0.112 114.2 -2.3 -53.1 131.6 -15.9 -34.5 -21.5 139 158 A K G 3 S- 0 0 184 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.756 118.3 -80.8 56.4 24.3 -16.7 -38.1 -20.7 140 159 A A G < S+ 0 0 66 -3,-2.6 2,-0.9 1,-0.2 -1,-0.3 0.745 93.3 141.9 57.6 21.3 -20.4 -37.2 -21.0 141 160 A D < - 0 0 54 -3,-2.4 -1,-0.2 -4,-0.1 -3,-0.1 -0.846 31.8-173.3 -96.6 104.6 -20.1 -35.9 -17.5 142 161 A Y - 0 0 72 -2,-0.9 2,-2.7 1,-0.2 -1,-0.1 0.453 17.6-150.1 -83.1 -1.4 -22.3 -32.8 -17.5 143 162 A T S S+ 0 0 18 -6,-0.0 -1,-0.2 -51,-0.0 2,-0.1 -0.303 70.2 61.2 70.2 -61.3 -21.3 -31.6 -13.9 144 163 A L S S- 0 0 12 -2,-2.7 -2,-0.1 1,-0.1 -92,-0.1 -0.449 94.3 -93.1 -90.8 166.8 -24.6 -29.9 -13.1 145 164 A D > - 0 0 86 -94,-0.3 4,-1.8 -2,-0.1 3,-0.5 -0.329 41.1-102.7 -73.7 164.4 -28.1 -31.4 -12.8 146 165 A E H > S+ 0 0 120 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.864 118.7 60.0 -58.2 -40.7 -30.4 -31.4 -15.8 147 166 A E H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 107.3 44.2 -52.4 -48.5 -32.4 -28.5 -14.4 148 167 A S H > S+ 0 0 12 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.875 115.4 47.1 -70.8 -38.6 -29.4 -26.1 -14.4 149 168 A R H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.922 110.0 54.6 -67.3 -42.2 -28.2 -27.1 -17.8 150 169 A A H X S+ 0 0 16 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.858 103.5 54.7 -56.9 -44.6 -31.8 -26.8 -19.2 151 170 A R H X S+ 0 0 59 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.891 109.3 48.4 -56.2 -44.4 -32.1 -23.1 -17.9 152 171 A I H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.926 110.3 50.9 -62.0 -45.8 -28.9 -22.3 -19.8 153 172 A K H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.919 110.9 49.3 -60.7 -41.9 -30.1 -23.9 -23.0 154 173 A T H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.943 109.1 51.2 -63.0 -46.7 -33.4 -22.0 -22.8 155 174 A R H X S+ 0 0 57 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.905 110.0 50.6 -59.3 -41.4 -31.6 -18.7 -22.3 156 175 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 109.3 49.9 -64.3 -40.8 -29.4 -19.3 -25.3 157 176 A F H X S+ 0 0 20 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.805 107.9 55.0 -69.3 -25.7 -32.4 -20.2 -27.5 158 177 A T H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.884 106.5 50.5 -72.1 -37.0 -34.0 -16.9 -26.3 159 178 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 109.1 52.0 -63.8 -42.3 -30.9 -15.0 -27.4 160 179 A R H X S+ 0 0 53 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.944 111.7 46.0 -58.2 -48.8 -31.1 -16.6 -30.9 161 180 A Q H X S+ 0 0 37 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.895 111.6 49.9 -61.4 -45.7 -34.8 -15.7 -31.3 162 181 A E H X S+ 0 0 42 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.874 113.7 48.4 -65.3 -35.5 -34.4 -12.1 -30.2 163 182 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.2 3,-1.0 0.949 112.3 47.6 -63.5 -51.4 -31.5 -11.9 -32.6 164 183 A A H ><5S+ 0 0 54 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.899 106.1 56.8 -58.9 -46.1 -33.5 -13.4 -35.5 165 184 A S H 3<5S+ 0 0 102 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.707 111.2 45.4 -61.3 -19.9 -36.5 -11.2 -34.9 166 185 A R T <<5S- 0 0 103 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.404 117.5-112.8-101.0 -0.5 -34.1 -8.2 -35.3 167 186 A G T < 5S+ 0 0 63 -3,-1.9 4,-0.3 -4,-0.3 -3,-0.2 0.616 90.5 107.9 80.7 15.6 -32.4 -9.7 -38.5 168 187 A L >< + 0 0 36 -5,-2.6 4,-1.8 -6,-0.2 -4,-0.2 0.638 50.8 80.8-100.4 -19.7 -29.1 -10.1 -36.6 169 188 A W H > S+ 0 0 12 -6,-0.4 4,-3.5 2,-0.2 5,-0.2 0.867 87.1 55.0 -60.0 -46.4 -28.9 -13.9 -36.2 170 189 A D H > S+ 0 0 121 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.938 111.7 43.8 -51.4 -56.9 -27.6 -14.8 -39.7 171 190 A S H > S+ 0 0 70 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.879 115.6 50.3 -57.1 -40.3 -24.6 -12.5 -39.4 172 191 A F H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.928 113.7 43.2 -66.0 -47.5 -24.0 -13.8 -35.9 173 192 A R H >< S+ 0 0 96 -4,-3.5 3,-1.0 1,-0.2 4,-0.4 0.933 116.7 47.0 -61.8 -49.9 -24.2 -17.5 -36.8 174 193 A Q H >X S+ 0 0 138 -4,-3.0 4,-1.1 1,-0.2 3,-0.9 0.850 99.4 72.3 -58.4 -39.0 -22.0 -17.0 -40.0 175 194 A S H 3X S+ 0 0 27 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.659 83.9 65.5 -52.8 -31.2 -19.5 -14.9 -38.1 176 195 A E H <> S+ 0 0 11 -3,-1.0 4,-2.4 -4,-0.5 -1,-0.2 0.883 99.6 49.6 -67.1 -41.2 -17.9 -17.8 -36.1 177 196 A R H <> S+ 0 0 106 -3,-0.9 4,-2.4 -4,-0.4 -1,-0.2 0.907 110.9 51.4 -63.1 -41.2 -16.5 -19.6 -39.1 178 197 A A H < S+ 0 0 62 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.913 108.6 51.1 -62.7 -41.3 -15.0 -16.4 -40.2 179 198 A A H < S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.931 111.3 47.8 -62.4 -43.0 -13.4 -15.9 -36.8 180 199 A A H < 0 0 56 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.896 360.0 360.0 -63.2 -40.5 -11.9 -19.3 -36.9 181 200 A E < 0 0 194 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.788 360.0 360.0-108.8 360.0 -10.6 -18.8 -40.4 182 !* 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 0.0 183 1 B M > 0 0 40 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.0 -63.4 -3.8 -4.0 184 2 B E H > + 0 0 32 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.934 360.0 45.4 -60.2 -47.9 -60.8 -1.8 -5.9 185 3 B D H > S+ 0 0 132 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.833 111.4 55.4 -64.7 -31.1 -59.2 -0.3 -2.7 186 4 B F H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.956 106.1 49.7 -64.8 -51.4 -59.3 -3.8 -1.2 187 5 B V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 109.5 52.5 -51.6 -45.5 -57.3 -5.3 -4.1 188 6 B R H < S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.7 38.4 -68.9 -29.7 -54.7 -2.6 -3.8 189 7 B Q H < S+ 0 0 117 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.660 116.4 52.2 -93.1 -15.6 -54.1 -3.1 -0.1 190 8 B C H < S+ 0 0 23 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.854 107.6 48.9 -87.7 -41.2 -54.4 -6.9 -0.2 191 9 B F S < S- 0 0 7 -4,-2.2 31,-0.0 -5,-0.2 30,-0.0 -0.694 92.8 -98.7-103.0 154.1 -51.9 -7.7 -2.9 192 10 B N >> - 0 0 80 -2,-0.3 4,-2.2 1,-0.1 3,-0.7 -0.390 35.6-111.1 -70.4 149.3 -48.3 -6.4 -3.4 193 11 B P H 3> S+ 0 0 102 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.778 115.8 58.3 -51.9 -33.2 -47.8 -3.5 -5.8 194 12 B M H 3> S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.935 109.3 43.2 -63.3 -45.7 -45.9 -5.7 -8.3 195 13 B I H <> S+ 0 0 4 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.938 114.7 50.3 -62.4 -47.9 -48.9 -8.0 -8.7 196 14 B V H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.937 110.9 49.1 -56.1 -51.7 -51.3 -5.1 -8.8 197 15 B E H X S+ 0 0 108 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.888 113.9 46.7 -51.9 -46.5 -49.2 -3.4 -11.5 198 16 B L H X S+ 0 0 39 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.824 111.5 50.4 -69.9 -34.6 -49.1 -6.7 -13.5 199 17 B A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.930 109.3 51.1 -68.3 -45.3 -52.8 -7.3 -13.2 200 18 B E H X S+ 0 0 43 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.902 111.5 48.3 -57.4 -43.8 -53.6 -3.7 -14.4 201 19 B K H X S+ 0 0 129 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.926 109.4 51.6 -63.5 -43.6 -51.4 -4.3 -17.4 202 20 B A H X S+ 0 0 40 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.812 112.8 47.2 -63.0 -31.2 -53.0 -7.6 -18.3 203 21 B M H ><>S+ 0 0 0 -4,-1.8 5,-1.8 2,-0.2 3,-0.7 0.902 110.7 48.2 -76.8 -45.3 -56.4 -6.0 -18.1 204 22 B K H ><5S+ 0 0 131 -4,-2.2 3,-2.7 3,-0.2 -2,-0.2 0.836 98.7 71.1 -64.4 -33.7 -55.6 -2.9 -20.2 205 23 B E H 3<5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.4 36.2 -50.6 -39.8 -54.0 -5.2 -22.8 206 24 B Y T <<5S- 0 0 153 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 -0.142 124.9-102.2-105.5 34.4 -57.5 -6.4 -23.7 207 25 B G T < 5S+ 0 0 73 -3,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.875 74.5 142.3 47.7 51.6 -59.2 -3.0 -23.2 208 26 B E < - 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