==== 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 4E5I . 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 . 725 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 70.8 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 . 46 6.3 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 . 27 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 45.8 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 0 0 0 4 0 2 0 1 3 3 3 4 0 0 2 6 0 0 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 . 1 0 11 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 46 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.8 -27.0 -3.6 -32.8 2 2 A E H > + 0 0 38 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.901 360.0 52.1 -62.4 -41.0 -25.2 -1.8 -30.0 3 3 A D H > S+ 0 0 124 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.880 107.1 53.2 -63.2 -39.0 -28.5 -0.6 -28.6 4 4 A F H >> S+ 0 0 9 1,-0.2 3,-1.3 2,-0.2 4,-1.1 0.981 108.0 49.7 -58.9 -56.6 -29.8 -4.2 -28.6 5 5 A V H >X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 3,-0.8 0.885 109.3 52.3 -47.8 -47.4 -26.8 -5.4 -26.6 6 6 A R H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.695 116.9 37.1 -71.2 -20.5 -27.2 -2.7 -24.0 7 7 A Q H << S+ 0 0 118 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.389 115.1 55.6-107.5 -0.3 -30.9 -3.3 -23.4 8 8 A C H << S+ 0 0 26 -4,-1.1 2,-0.2 -3,-0.8 -2,-0.2 0.815 108.2 41.9 -97.6 -41.4 -30.6 -7.1 -23.7 9 9 A F S < S- 0 0 10 -4,-2.1 31,-0.1 -5,-0.2 30,-0.0 -0.634 95.0 -94.5-103.2 163.7 -27.9 -7.9 -21.1 10 10 A N >> - 0 0 74 -2,-0.2 4,-2.8 1,-0.1 3,-1.2 -0.520 33.2-113.8 -79.3 147.8 -27.5 -6.4 -17.6 11 11 A P H 3> S+ 0 0 105 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.777 116.0 59.2 -47.1 -35.0 -25.2 -3.3 -17.1 12 12 A M H 3> S+ 0 0 101 2,-0.2 4,-1.1 1,-0.2 5,-0.0 0.864 111.9 38.4 -66.8 -40.1 -22.8 -5.5 -15.0 13 13 A I H <> S+ 0 0 5 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.920 115.2 54.3 -72.6 -47.5 -22.3 -7.9 -17.9 14 14 A V H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.895 109.3 48.0 -52.6 -46.2 -22.2 -5.1 -20.4 15 15 A E H X S+ 0 0 127 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.867 110.1 51.8 -64.0 -39.3 -19.5 -3.3 -18.5 16 16 A L H X S+ 0 0 44 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.789 108.9 51.5 -69.5 -30.1 -17.4 -6.5 -18.2 17 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.970 107.7 51.1 -67.3 -55.0 -17.7 -7.0 -22.0 18 18 A E H X S+ 0 0 38 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.819 108.8 53.1 -50.4 -39.8 -16.5 -3.4 -22.7 19 19 A K H X S+ 0 0 116 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.956 110.7 44.1 -60.8 -54.5 -13.5 -4.0 -20.5 20 20 A A H X S+ 0 0 34 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.800 111.7 56.6 -62.9 -31.4 -12.3 -7.2 -22.2 21 21 A M H X>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 4,-0.6 0.942 108.1 44.1 -65.4 -50.3 -12.9 -5.6 -25.6 22 22 A K H <5S+ 0 0 127 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.816 107.2 61.1 -67.7 -32.8 -10.6 -2.6 -25.0 23 23 A E H <5S+ 0 0 117 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.914 107.9 43.6 -58.3 -44.3 -7.9 -4.8 -23.5 24 24 A Y H <5S- 0 0 154 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.636 123.4-110.5 -74.7 -12.8 -7.7 -6.7 -26.8 25 25 A G T <5S+ 0 0 66 -4,-0.6 2,-0.4 -3,-0.3 -3,-0.2 0.566 71.4 141.9 92.9 13.5 -7.8 -3.3 -28.5 26 26 A E < - 0 0 40 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.722 50.6-130.3 -95.7 133.9 -11.3 -3.9 -30.0 27 27 A D >> - 0 0 70 -2,-0.4 4,-2.5 1,-0.1 3,-1.0 -0.734 7.6-150.7 -82.9 119.7 -13.9 -1.1 -30.2 28 28 A P T 34 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.521 97.2 53.4 -67.2 -6.6 -17.3 -2.2 -28.8 29 29 A K T 34 S+ 0 0 130 6,-0.0 3,-0.2 2,-0.0 -27,-0.1 0.611 115.9 36.1-100.8 -18.8 -19.1 0.2 -31.2 30 30 A I T <4 S+ 0 0 128 -3,-1.0 2,-1.1 1,-0.2 3,-0.2 0.846 120.6 42.8 -98.4 -49.8 -17.4 -1.2 -34.4 31 31 A E S X S+ 0 0 78 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 -0.644 70.3 154.4 -94.8 74.1 -17.1 -4.9 -33.6 32 32 A T H > + 0 0 24 -2,-1.1 4,-2.1 -3,-0.2 -1,-0.2 0.686 66.1 59.4 -79.5 -21.2 -20.6 -5.2 -32.1 33 33 A N H > S+ 0 0 20 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.930 107.3 45.3 -68.4 -47.5 -21.0 -8.9 -32.9 34 34 A K H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.856 110.2 58.1 -63.5 -33.6 -17.9 -9.7 -30.8 35 35 A F H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.965 108.8 43.2 -54.4 -56.7 -19.5 -7.4 -28.2 36 36 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.803 111.5 54.8 -62.5 -33.7 -22.7 -9.5 -28.1 37 37 A A H X S+ 0 0 23 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.881 109.3 46.6 -69.0 -39.1 -20.7 -12.8 -28.1 38 38 A I H X S+ 0 0 33 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.916 110.6 52.2 -68.9 -45.4 -18.7 -11.7 -25.0 39 39 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.890 113.8 46.1 -52.5 -43.0 -21.9 -10.5 -23.2 40 40 A T H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.920 109.5 51.0 -68.6 -49.7 -23.3 -14.0 -24.0 41 41 A H H X S+ 0 0 31 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.931 112.6 49.7 -56.0 -45.3 -20.3 -16.0 -22.9 42 42 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.952 111.5 46.6 -54.4 -58.0 -20.3 -14.0 -19.6 43 43 A E H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 3,-0.4 0.938 113.2 48.8 -52.9 -54.0 -24.1 -14.6 -19.0 44 44 A V H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.919 110.6 52.1 -52.2 -48.6 -23.8 -18.3 -19.8 45 45 A C H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.832 110.9 47.4 -57.3 -36.8 -20.7 -18.6 -17.4 46 46 A F H X S+ 0 0 45 -4,-2.1 4,-2.2 -3,-0.4 -2,-0.2 0.902 111.7 48.6 -74.2 -42.7 -22.7 -16.9 -14.6 47 47 A M H < S+ 0 0 30 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.792 110.8 53.5 -62.7 -30.9 -25.8 -19.1 -15.0 48 48 A Y H >< S+ 0 0 0 -4,-1.9 3,-0.8 -5,-0.3 -2,-0.2 0.900 110.3 45.0 -73.5 -42.1 -23.5 -22.2 -15.1 49 49 A S H >< S+ 0 0 22 -4,-1.7 3,-1.4 1,-0.3 8,-0.4 0.879 106.5 60.7 -67.3 -38.7 -21.8 -21.2 -11.8 50 50 A D T 3< S+ 0 0 96 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.672 91.8 75.4 -51.0 -29.6 -25.2 -20.4 -10.3 51 50AA G T < S+ 0 0 13 -3,-0.8 94,-0.3 -4,-0.3 -1,-0.3 0.600 85.7 63.4 -73.7 -15.4 -26.0 -24.0 -10.9 52 50BA G S < S- 0 0 19 -3,-1.4 92,-0.0 1,-0.2 -3,-0.0 -0.381 99.2 -67.3 -98.1-178.2 -24.1 -25.7 -8.1 53 50CA S > - 0 0 63 -2,-0.1 3,-2.5 1,-0.1 4,-0.4 -0.357 67.6 -90.1 -64.8 151.3 -24.2 -25.8 -4.4 54 73 A K T 3 S+ 0 0 182 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.739 123.7 33.5 -31.2 -55.9 -23.2 -22.4 -2.9 55 74 A H T 3 S+ 0 0 24 1,-0.1 -1,-0.3 358,-0.1 38,-0.1 0.401 94.6 100.0 -89.3 3.6 -19.4 -22.9 -2.6 56 75 A R S < S+ 0 0 18 -3,-2.5 37,-1.8 -7,-0.1 2,-0.2 0.948 71.5 44.6 -57.9 -68.9 -19.0 -25.2 -5.7 57 76 A F E -A 92 0A 23 -4,-0.4 2,-0.5 -8,-0.4 35,-0.2 -0.577 59.6-150.3 -90.8 144.7 -17.7 -23.1 -8.6 58 77 A E E -A 91 0A 35 33,-1.7 33,-0.9 -2,-0.2 2,-0.7 -0.955 23.4-134.8-104.2 123.9 -14.8 -20.6 -8.8 59 78 A I E +A 90 0A 51 -2,-0.5 31,-0.2 31,-0.2 30,-0.0 -0.715 34.0 164.2 -85.1 115.7 -15.5 -18.0 -11.4 60 79 A I > + 0 0 4 29,-2.4 3,-0.8 -2,-0.7 30,-0.2 0.759 55.5 81.2 -96.3 -35.2 -12.4 -17.3 -13.6 61 80 A E T 3 S+ 0 0 47 28,-1.8 3,-0.1 1,-0.2 28,-0.1 -0.501 89.6 30.5 -75.7 141.1 -14.1 -15.6 -16.4 62 81 A G T 3 S+ 0 0 23 1,-0.4 -1,-0.2 -2,-0.2 3,-0.1 0.021 95.4 108.0 101.1 -26.9 -15.0 -11.9 -16.1 63 82 A R S < S- 0 0 100 -3,-0.8 -1,-0.4 1,-0.1 2,-0.3 -0.137 84.4 -84.2 -68.5 171.1 -12.0 -11.2 -13.8 64 83 A D > - 0 0 96 1,-0.1 4,-3.0 -3,-0.1 3,-0.3 -0.673 41.9-117.5 -76.6 137.1 -8.9 -9.2 -14.8 65 84 A R H > S+ 0 0 101 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.864 113.2 47.2 -41.5 -56.6 -6.4 -11.4 -16.5 66 85 A T H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 115.7 45.2 -55.1 -47.5 -3.6 -10.9 -13.9 67 86 A M H > S+ 0 0 74 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.857 110.7 55.0 -65.6 -37.2 -6.1 -11.6 -11.0 68 87 A A H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.922 108.0 47.8 -62.1 -46.6 -7.5 -14.6 -12.9 69 88 A W H X S+ 0 0 58 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.855 108.3 55.5 -62.7 -36.6 -4.1 -16.2 -13.3 70 89 A T H X S+ 0 0 18 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.867 107.9 49.9 -61.7 -38.4 -3.4 -15.6 -9.6 71 90 A V H X S+ 0 0 4 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.951 110.3 48.8 -65.7 -51.2 -6.7 -17.5 -8.8 72 91 A V H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.9 0.959 109.3 52.2 -51.6 -58.3 -5.7 -20.5 -11.0 73 92 A N H 3X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.837 107.3 54.1 -46.9 -40.5 -2.2 -20.7 -9.4 74 93 A S H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.842 110.4 45.8 -65.9 -37.3 -3.9 -20.8 -6.0 75 94 A I H XX S+ 0 0 0 -4,-1.7 4,-3.1 -3,-0.9 3,-2.1 0.967 113.8 47.0 -67.9 -55.9 -6.1 -23.7 -6.9 76 95 A C H 3X S+ 0 0 17 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.899 110.9 53.0 -52.5 -46.5 -3.3 -25.7 -8.6 77 96 A N H 3< S+ 0 0 95 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.448 119.8 34.6 -71.4 -0.1 -1.0 -25.1 -5.6 78 97 A T H <4 S+ 0 0 22 -3,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.656 122.6 37.3-125.0 -33.5 -3.7 -26.4 -3.2 79 98 A T H < S- 0 0 54 -4,-3.1 -3,-0.2 2,-0.1 -2,-0.1 0.642 99.3-122.0 -93.8 -18.2 -5.6 -29.2 -5.0 80 99 A G < + 0 0 69 -4,-1.6 -4,-0.1 -5,-0.5 -3,-0.1 0.182 59.6 153.2 93.1 -14.1 -2.5 -30.7 -6.7 81 100 A V - 0 0 22 -6,-0.3 -1,-0.3 1,-0.1 2,-0.1 -0.129 53.1-103.2 -53.4 136.6 -4.3 -30.2 -10.1 82 101 A E - 0 0 57 -3,-0.1 -1,-0.1 1,-0.1 -5,-0.0 -0.414 40.0-113.6 -58.3 131.3 -2.1 -29.7 -13.2 83 102 A K - 0 0 95 -2,-0.1 -1,-0.1 -3,-0.1 -10,-0.0 -0.537 30.3-124.2 -70.6 131.0 -2.0 -26.0 -14.2 84 103 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 -0.294 2.7-137.2 -72.8 163.6 -3.6 -25.2 -17.6 85 104 A K S S+ 0 0 142 34,-0.3 2,-0.3 1,-0.1 35,-0.0 0.556 88.3 37.9 -98.1 -16.1 -1.8 -23.4 -20.5 86 105 A F S S- 0 0 111 33,-0.1 -1,-0.1 0, 0.0 33,-0.0 -0.939 100.8 -86.0-132.6 158.6 -4.8 -21.1 -21.3 87 106 A L - 0 0 41 -2,-0.3 -18,-0.0 -3,-0.1 -2,-0.0 -0.491 44.0-158.7 -69.5 114.2 -7.3 -19.3 -19.1 88 107 A P - 0 0 6 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.037 17.3-127.5 -77.1-171.6 -10.3 -21.5 -18.3 89 108 A D S S+ 0 0 5 10,-2.7 -29,-2.4 1,-0.3 -28,-1.8 0.716 76.8 1.5-110.9 -30.7 -13.7 -20.2 -17.2 90 109 A L E -AB 59 99A 0 9,-1.9 9,-2.3 -31,-0.2 2,-0.3 -0.891 54.7-138.7-143.9 171.8 -14.5 -22.1 -14.0 91 110 A Y E -AB 58 98A 0 -33,-0.9 -33,-1.7 -2,-0.3 2,-0.7 -0.988 17.3-140.5-132.8 145.0 -13.1 -24.6 -11.5 92 111 A D E > -AB 57 97A 0 5,-3.3 5,-1.3 -2,-0.3 4,-0.3 -0.894 12.0-172.2-110.7 107.6 -15.2 -27.3 -9.9 93 112 A Y T 5S+ 0 0 3 -37,-1.8 -1,-0.1 -2,-0.7 -36,-0.1 0.643 89.9 49.5 -70.0 -14.9 -14.4 -28.0 -6.3 94 113 A K T 5S+ 0 0 119 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.874 119.6 33.2 -88.6 -45.7 -16.7 -31.0 -6.4 95 114 A E T 5S- 0 0 73 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.123 102.9-129.8 -96.2 12.9 -15.3 -32.7 -9.5 96 115 A N T 5 + 0 0 95 -4,-0.3 2,-0.3 1,-0.1 -3,-0.2 0.815 68.9 99.6 46.6 49.3 -11.8 -31.4 -8.8 97 116 A R E - 0 0 73 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.232 40.8-133.8 -64.0 143.2 -21.5 -27.5 -34.5 108 127 A V H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 28,-0.1 0.900 110.6 44.7 -58.5 -44.4 -20.9 -28.6 -30.9 109 128 A H H > S+ 0 0 114 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.674 111.1 55.4 -76.4 -19.5 -18.4 -31.3 -32.0 110 129 A T H > S+ 0 0 46 -3,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.941 112.3 40.5 -72.8 -52.0 -16.7 -28.8 -34.4 111 130 A Y H X S+ 0 0 48 -4,-2.4 4,-1.4 1,-0.2 3,-0.4 0.823 109.9 62.4 -66.2 -33.6 -16.0 -26.2 -31.7 112 131 A Y H >X S+ 0 0 31 -4,-1.7 4,-2.5 -5,-0.2 3,-0.9 0.958 103.8 44.9 -56.6 -56.4 -15.1 -28.9 -29.2 113 132 A L H 3X S+ 0 0 106 -4,-1.2 4,-0.8 1,-0.3 -1,-0.2 0.603 109.7 57.4 -71.1 -12.1 -12.1 -30.3 -31.1 114 133 A E H 3< S+ 0 0 80 -4,-0.7 4,-0.4 -3,-0.4 -1,-0.3 0.783 114.0 38.5 -79.7 -32.3 -10.9 -26.7 -31.8 115 134 A K H -c 104 0A 3 4,-0.8 3,-1.2 -2,-0.3 -25,-0.2 -0.904 33.0-116.2-134.5 161.2 -25.1 -23.8 -28.9 131 150 A F T 3 S+ 0 0 5 -27,-1.0 -26,-0.1 -2,-0.3 29,-0.0 0.308 114.3 61.2 -77.7 9.7 -27.9 -21.5 -30.1 132 151 A T T 3 S- 0 0 61 2,-0.2 -1,-0.2 127,-0.0 21,-0.0 0.128 119.5-102.5-121.4 15.7 -29.8 -24.7 -31.0 133 152 A G S < S+ 0 0 11 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.668 77.4 134.5 74.9 18.6 -30.0 -26.3 -27.6 134 153 A E - 0 0 121 19,-0.1 -4,-0.8 2,-0.0 2,-0.3 -0.687 31.0-173.3-102.3 154.9 -27.3 -28.8 -28.1 135 154 A E E -D 129 0A 32 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.999 10.7-174.9-148.6 144.6 -24.4 -29.7 -25.8 136 155 A M E +D 128 0A 69 -8,-1.1 -8,-2.1 -2,-0.3 2,-0.3 -0.995 9.8 179.4-138.9 144.4 -21.2 -31.8 -25.7 137 156 A A E > -D 127 0A 5 -2,-0.3 3,-3.0 -10,-0.2 -10,-0.2 -0.991 41.8 -79.8-145.6 148.9 -18.8 -32.5 -22.9 138 157 A T G > S- 0 0 21 -12,-1.2 3,-1.6 -2,-0.3 -13,-0.0 -0.237 119.4 -5.7 -45.7 121.6 -15.6 -34.4 -22.2 139 158 A K G 3 S- 0 0 191 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.682 122.1 -77.8 59.9 21.7 -16.6 -38.1 -21.7 140 159 A A G < S+ 0 0 60 -3,-3.0 2,-0.6 1,-0.2 -1,-0.3 0.852 91.5 144.9 50.1 41.9 -20.2 -36.9 -21.9 141 160 A D < - 0 0 62 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.2 -0.942 27.2-175.8-106.6 110.1 -20.0 -35.6 -18.3 142 161 A Y - 0 0 65 -2,-0.6 2,-2.9 1,-0.1 -1,-0.1 0.317 20.0-147.2 -96.9 4.2 -22.1 -32.4 -18.3 143 162 A T + 0 0 18 -51,-0.0 2,-0.1 -48,-0.0 -1,-0.1 -0.262 69.3 67.0 70.7 -60.3 -21.4 -31.4 -14.7 144 163 A L S S- 0 0 10 -2,-2.9 -2,-0.1 1,-0.1 -92,-0.1 -0.465 88.8 -96.6 -93.2 163.3 -24.8 -29.8 -13.9 145 164 A D > - 0 0 82 -94,-0.3 4,-1.9 -2,-0.1 5,-0.2 -0.216 40.2-100.8 -72.4 168.9 -28.3 -31.3 -13.6 146 165 A E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.878 118.6 53.7 -59.3 -44.4 -30.8 -31.4 -16.4 147 166 A E H > S+ 0 0 50 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.876 109.6 47.6 -61.8 -42.9 -32.9 -28.4 -15.2 148 167 A S H >> S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 3,-0.9 0.978 113.5 45.4 -62.3 -58.6 -29.9 -26.1 -14.9 149 168 A R H 3X S+ 0 0 17 -4,-1.9 4,-2.2 1,-0.3 -2,-0.2 0.826 109.8 57.2 -55.6 -35.1 -28.5 -26.8 -18.4 150 169 A A H 3X S+ 0 0 11 -4,-2.1 4,-3.1 -5,-0.2 -1,-0.3 0.829 102.6 54.9 -66.9 -33.7 -32.0 -26.5 -19.9 151 170 A R H X S+ 0 0 66 -4,-3.0 4,-1.8 1,-0.2 3,-0.6 0.900 105.8 56.0 -55.9 -52.5 -32.1 -18.4 -22.6 156 175 A L H 3X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.3 3,-0.3 0.897 109.2 49.3 -45.6 -46.2 -29.5 -18.7 -25.4 157 176 A F H 3X S+ 0 0 15 -4,-1.9 4,-2.9 -3,-0.3 -1,-0.3 0.820 103.4 59.4 -65.7 -33.4 -32.4 -19.4 -27.8 158 177 A T H <>S+ 0 0 0 -4,-2.8 3,-2.5 1,-0.2 5,-1.1 0.957 113.5 51.2 -59.1 -53.7 -31.6 -10.7 -32.6 164 183 A A H ><5S+ 0 0 52 -4,-1.9 3,-0.7 1,-0.3 -2,-0.2 0.783 98.9 65.6 -55.8 -32.2 -33.5 -12.4 -35.6 165 184 A S T 3<5S+ 0 0 93 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.564 112.6 34.8 -66.2 -9.3 -36.6 -10.3 -34.6 166 185 A R T < 5S- 0 0 107 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.288 121.0-107.1-122.8 0.6 -34.4 -7.3 -35.6 167 186 A G T < 5S+ 0 0 53 -3,-0.7 -3,-0.2 -4,-0.4 4,-0.2 0.917 88.4 113.4 72.8 46.8 -32.5 -9.1 -38.5 168 187 A L >< + 0 0 37 -5,-1.1 4,-1.3 2,-0.1 -4,-0.2 0.392 51.2 82.7-123.3 -4.0 -29.2 -9.4 -36.7 169 188 A W H > S+ 0 0 17 2,-0.2 4,-2.3 -6,-0.2 5,-0.3 0.884 88.7 51.9 -71.7 -42.3 -29.0 -13.2 -36.4 170 189 A D H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.962 112.4 45.9 -57.4 -54.2 -27.7 -13.9 -40.0 171 190 A S H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.802 113.3 51.8 -57.2 -34.2 -24.9 -11.4 -39.5 172 191 A F H X S+ 0 0 1 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.855 112.2 42.4 -75.1 -39.6 -24.1 -12.9 -36.1 173 192 A R H X S+ 0 0 105 -4,-2.3 4,-0.9 -3,-0.2 -2,-0.2 0.781 114.1 53.6 -77.5 -29.8 -23.9 -16.5 -37.2 174 193 A Q H X S+ 0 0 126 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.860 100.3 62.0 -68.5 -37.8 -21.9 -15.5 -40.3 175 194 A S H < S+ 0 0 44 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.773 100.5 51.0 -64.8 -31.6 -19.3 -13.6 -38.2 176 195 A E H X S+ 0 0 17 -4,-0.7 4,-1.6 2,-0.2 3,-0.3 0.845 111.4 48.1 -74.5 -35.2 -18.1 -16.7 -36.3 177 196 A R H < S+ 0 0 120 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.806 109.6 54.6 -67.9 -32.8 -17.6 -18.5 -39.6 178 196AA A T < S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.613 107.8 51.7 -74.1 -15.2 -15.8 -15.4 -40.8 179 196BA A T 4 0 0 72 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.899 360.0 360.0 -87.7 -48.5 -13.5 -15.7 -37.7 180 196CA A < 0 0 86 -4,-1.6 0, 0.0 0, 0.0 0, 0.0 -0.146 360.0 360.0 -68.6 360.0 -12.2 -19.3 -37.9 181 !* 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 0.0 182 1 B M > 0 0 47 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -55.4 -63.6 -3.4 -3.7 183 2 B E H > + 0 0 45 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.919 360.0 45.5 -52.4 -47.4 -61.1 -1.5 -5.8 184 3 B D H > S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.829 111.0 55.0 -65.7 -33.4 -59.5 -0.1 -2.7 185 4 B F H >> S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 3,-0.9 0.995 106.5 49.6 -57.5 -62.0 -59.6 -3.6 -1.2 186 5 B V H 3X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.3 3,-0.3 0.861 110.0 51.7 -45.0 -47.6 -57.7 -5.1 -4.2 187 6 B R H 3< S+ 0 0 81 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.832 116.9 37.0 -64.5 -36.4 -55.0 -2.4 -3.9 188 7 B Q H << S+ 0 0 119 -4,-1.6 -1,-0.2 -3,-0.9 -2,-0.2 0.554 116.1 55.4 -91.9 -11.2 -54.3 -2.9 -0.2 189 8 B C H < S+ 0 0 28 -4,-1.9 2,-0.2 -3,-0.3 -2,-0.2 0.898 107.2 47.2 -83.0 -48.2 -54.8 -6.7 -0.3 190 9 B F S < S- 0 0 8 -4,-2.4 31,-0.0 -5,-0.2 30,-0.0 -0.598 94.5 -95.6-100.0 155.8 -52.2 -7.5 -3.1 191 10 B N >> - 0 0 75 -2,-0.2 4,-2.5 1,-0.1 3,-0.9 -0.393 37.3-111.2 -70.1 147.0 -48.6 -6.4 -3.4 192 11 B P H 3> S+ 0 0 108 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.757 116.7 55.9 -50.5 -32.5 -48.0 -3.3 -5.7 193 12 B M H 3> S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.907 111.3 42.0 -65.4 -45.4 -46.2 -5.4 -8.3 194 13 B I H <> S+ 0 0 4 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.897 112.5 54.5 -69.3 -42.3 -49.2 -7.8 -8.7 195 14 B V H X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.847 112.4 44.6 -58.2 -35.6 -51.6 -4.8 -8.6 196 15 B E H X S+ 0 0 129 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.845 110.0 53.1 -80.3 -36.7 -49.6 -3.3 -11.5 197 16 B L H X S+ 0 0 44 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.726 110.2 50.6 -69.6 -25.1 -49.3 -6.5 -13.5 198 17 B A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.958 109.4 48.5 -72.6 -55.4 -53.1 -6.8 -13.2 199 18 B E H X S+ 0 0 35 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.869 112.1 49.6 -50.5 -45.4 -53.8 -3.3 -14.4 200 19 B K H X S+ 0 0 118 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.889 113.0 46.4 -63.5 -41.5 -51.5 -3.7 -17.4 201 20 B A H X S+ 0 0 37 -4,-1.1 4,-1.0 -3,-0.2 -2,-0.2 0.806 112.7 51.2 -71.0 -32.1 -53.1 -7.0 -18.4 202 21 B M H ><>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.6 0.947 107.4 50.3 -68.8 -50.7 -56.6 -5.5 -18.0 203 22 B K H ><5S+ 0 0 133 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.793 101.9 65.5 -60.4 -30.9 -55.9 -2.5 -20.2 204 23 B E H 3<5S+ 0 0 103 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.934 105.2 41.6 -54.9 -48.1 -54.5 -4.9 -22.8 205 24 B Y T <<5S- 0 0 155 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.430 124.0-104.9 -83.3 4.5 -58.0 -6.4 -23.3 206 25 B G T < 5S+ 0 0 71 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.608 75.8 141.6 82.2 16.1 -59.6 -2.9 -23.1 207 26 B E < - 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