==== 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 4E5H . 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 . 723 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 69.8 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 . 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 . 22 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 46.7 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 0 2 0 5 4 1 4 0 0 1 6 1 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 . 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 40 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.1 -26.6 -4.9 -32.7 2 2 A E H > + 0 0 35 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.942 360.0 40.1 -58.5 -50.2 -24.7 -2.6 -30.3 3 3 A D H > S+ 0 0 125 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.756 112.1 57.2 -70.5 -29.9 -27.9 -1.3 -28.7 4 4 A F H >> S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 3,-0.8 0.961 108.0 48.2 -62.0 -50.0 -29.4 -4.9 -28.8 5 5 A V H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.921 109.2 51.8 -54.6 -51.3 -26.4 -6.1 -26.7 6 6 A R H 3< S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.667 117.1 39.2 -66.2 -19.4 -26.7 -3.3 -24.1 7 7 A Q H << S+ 0 0 120 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.609 114.3 53.5-102.2 -13.7 -30.4 -4.0 -23.6 8 8 A C H < S+ 0 0 21 -4,-1.7 2,-0.2 -3,-0.4 -2,-0.2 0.832 108.9 45.1 -86.3 -38.3 -30.2 -7.8 -23.7 9 9 A F S < S- 0 0 9 -4,-2.1 31,-0.1 -5,-0.2 30,-0.0 -0.689 93.8 -96.6-106.6 159.2 -27.5 -8.4 -21.1 10 10 A N > - 0 0 74 -2,-0.2 4,-2.7 1,-0.1 3,-0.4 -0.424 35.1-112.6 -75.7 152.1 -27.1 -6.8 -17.6 11 11 A P H > S+ 0 0 109 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.827 115.2 57.3 -55.0 -35.5 -24.8 -3.8 -17.2 12 12 A M H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.932 110.8 42.4 -60.6 -48.4 -22.2 -5.8 -15.2 13 13 A I H > S+ 0 0 6 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.945 114.7 52.3 -60.9 -46.2 -21.8 -8.3 -17.9 14 14 A V H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.926 109.8 48.3 -56.6 -46.3 -21.7 -5.5 -20.5 15 15 A E H X S+ 0 0 111 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.898 112.2 48.1 -62.5 -44.2 -19.0 -3.7 -18.6 16 16 A L H X S+ 0 0 39 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.844 111.3 52.2 -64.4 -33.7 -16.9 -6.8 -18.2 17 17 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.893 109.6 48.3 -70.5 -40.2 -17.3 -7.5 -21.9 18 18 A E H >X S+ 0 0 46 -4,-2.4 4,-2.4 2,-0.2 3,-0.5 0.975 111.7 48.9 -61.9 -56.6 -16.2 -4.0 -22.9 19 19 A K H 3X S+ 0 0 115 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.880 110.3 52.9 -47.0 -44.2 -13.1 -4.2 -20.7 20 20 A A H 3X S+ 0 0 39 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.849 110.5 46.2 -66.8 -35.6 -12.2 -7.6 -22.1 21 21 A M H X<>S+ 0 0 0 -4,-1.6 5,-2.9 -3,-0.5 3,-0.7 0.912 110.3 53.0 -71.2 -44.5 -12.4 -6.3 -25.7 22 22 A K H ><5S+ 0 0 130 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.911 102.6 57.2 -59.5 -45.2 -10.3 -3.2 -25.0 23 23 A E H 3<5S+ 0 0 124 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.766 110.6 45.5 -58.4 -27.7 -7.5 -5.2 -23.5 24 24 A Y T <<5S- 0 0 175 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.206 124.7-107.4 -97.7 12.8 -7.3 -7.1 -26.8 25 25 A G T < 5S+ 0 0 68 -3,-2.6 2,-0.4 1,-0.2 -3,-0.3 0.814 71.3 143.7 68.7 33.6 -7.5 -3.8 -28.7 26 26 A E < - 0 0 48 -5,-2.9 -1,-0.2 -8,-0.2 -2,-0.1 -0.872 46.2-138.5-110.1 139.0 -11.1 -4.3 -29.9 27 27 A D > - 0 0 68 -2,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.848 4.5-157.3 -92.9 121.1 -13.8 -1.7 -30.4 28 28 A P T 4 S+ 0 0 6 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.792 93.3 59.8 -65.8 -32.0 -17.2 -2.9 -29.2 29 29 A K T 4 S+ 0 0 132 1,-0.1 3,-0.3 -3,-0.1 -27,-0.1 0.829 117.0 30.0 -64.7 -38.4 -18.9 -0.3 -31.4 30 30 A I T 4 S+ 0 0 130 -3,-0.3 2,-1.6 1,-0.2 3,-0.3 0.916 120.4 48.1 -88.7 -52.1 -17.3 -1.9 -34.5 31 31 A E X + 0 0 64 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 -0.601 68.5 154.8 -90.0 77.6 -16.9 -5.6 -33.7 32 32 A T H > + 0 0 31 -2,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.787 66.8 55.6 -80.6 -30.4 -20.5 -5.9 -32.4 33 33 A N H > S+ 0 0 24 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.865 109.1 48.0 -67.1 -38.2 -20.8 -9.7 -33.1 34 34 A K H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.873 109.9 54.9 -64.8 -38.0 -17.7 -10.3 -31.0 35 35 A F H X S+ 0 0 0 -4,-1.3 4,-2.0 -7,-0.2 -2,-0.2 0.939 109.6 44.7 -62.3 -52.4 -19.3 -8.0 -28.4 36 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.887 112.9 52.6 -55.8 -43.1 -22.5 -10.1 -28.3 37 37 A A H X S+ 0 0 23 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.886 108.3 48.6 -66.1 -40.9 -20.5 -13.3 -28.2 38 38 A I H X S+ 0 0 41 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 111.8 49.9 -67.5 -42.8 -18.4 -12.2 -25.2 39 39 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.866 111.2 49.5 -59.9 -40.8 -21.5 -11.2 -23.3 40 40 A T H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.951 110.5 49.5 -64.5 -50.9 -23.1 -14.5 -24.0 41 41 A H H X S+ 0 0 35 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.912 112.6 47.9 -55.2 -47.0 -20.1 -16.5 -22.8 42 42 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.949 110.9 50.3 -57.9 -51.2 -19.9 -14.5 -19.6 43 43 A E H X S+ 0 0 30 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.899 111.7 48.7 -56.7 -43.2 -23.6 -14.9 -18.9 44 44 A V H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.930 109.5 52.1 -62.2 -47.1 -23.3 -18.7 -19.4 45 45 A C H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.906 113.3 44.6 -54.5 -42.9 -20.3 -18.9 -17.1 46 46 A F H X S+ 0 0 43 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.890 112.7 50.2 -73.3 -39.3 -22.2 -17.0 -14.4 47 47 A M H X S+ 0 0 26 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.926 111.0 51.5 -57.7 -45.6 -25.4 -19.1 -14.8 48 48 A Y H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 4,-0.3 0.875 108.0 50.3 -59.9 -46.9 -23.2 -22.3 -14.6 49 49 A S H >< S+ 0 0 23 -4,-1.9 3,-0.8 1,-0.2 8,-0.3 0.823 109.0 53.1 -59.9 -31.9 -21.5 -21.2 -11.4 50 50 A D H 3< S+ 0 0 102 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.665 93.9 74.1 -78.5 -14.9 -24.9 -20.5 -10.0 51 50AA G T << S+ 0 0 11 -4,-0.7 94,-0.4 -3,-0.7 -1,-0.2 0.601 90.5 64.6 -73.7 -15.4 -26.0 -24.0 -10.9 52 50BA G S < S- 0 0 19 -3,-0.8 92,-0.1 -4,-0.3 5,-0.0 -0.381 102.0 -67.3 -98.1-178.2 -24.1 -25.7 -8.1 53 50CA S > - 0 0 62 -2,-0.1 3,-2.6 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 0 183 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.739 122.8 30.1 -31.2 -55.9 -23.2 -22.4 -2.9 55 74 A H T 3 S+ 0 0 30 1,-0.2 -1,-0.3 356,-0.1 38,-0.2 0.401 90.2 107.0 -89.3 0.9 -19.4 -22.9 -2.6 56 75 A R S < S+ 0 0 15 -3,-2.6 37,-2.7 -7,-0.1 38,-0.4 0.858 71.7 46.1 -55.1 -47.6 -19.0 -25.4 -5.5 57 76 A F E -A 92 0A 22 -4,-0.4 2,-0.5 -8,-0.3 35,-0.2 -0.777 58.7-150.0-108.3 136.2 -17.2 -23.2 -8.1 58 77 A E E -A 91 0A 35 33,-2.8 33,-2.3 -2,-0.4 2,-0.5 -0.892 29.2-137.7 -90.7 129.4 -14.3 -20.8 -8.1 59 78 A I E +A 90 0A 54 -2,-0.5 31,-0.2 31,-0.2 30,-0.1 -0.791 34.1 163.4 -92.7 124.9 -15.0 -18.3 -10.8 60 79 A I > + 0 0 2 29,-2.6 3,-1.1 -2,-0.5 30,-0.2 0.750 52.8 82.1-106.9 -41.3 -12.0 -17.5 -13.0 61 80 A E T 3 S+ 0 0 60 28,-2.0 3,-0.1 1,-0.2 28,-0.1 -0.296 86.5 36.5 -66.4 149.9 -13.7 -15.8 -16.0 62 81 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 -46,-0.1 2,-0.2 0.258 94.8 109.8 88.7 -12.7 -14.6 -12.1 -15.7 63 82 A R S < S- 0 0 97 -3,-1.1 -1,-0.3 1,-0.1 2,-0.1 -0.524 82.6 -88.5 -88.7 160.9 -11.5 -11.3 -13.6 64 83 A D > - 0 0 111 -2,-0.2 4,-2.7 1,-0.1 3,-0.2 -0.475 43.9-115.1 -63.0 140.8 -8.5 -9.3 -14.7 65 84 A R H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 112.3 49.3 -51.2 -49.8 -5.9 -11.6 -16.3 66 85 A T H > S+ 0 0 114 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 114.9 44.0 -59.2 -45.4 -3.2 -11.2 -13.7 67 86 A M H > S+ 0 0 70 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 109.9 57.5 -70.0 -33.6 -5.6 -11.8 -10.8 68 87 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.931 108.0 46.3 -58.5 -47.1 -7.1 -14.8 -12.8 69 88 A W H X S+ 0 0 42 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.814 108.8 56.1 -66.5 -32.5 -3.7 -16.4 -13.0 70 89 A T H X S+ 0 0 17 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.904 110.3 44.2 -64.2 -44.5 -3.1 -15.8 -9.3 71 90 A V H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 3,-0.2 0.938 112.6 51.4 -67.2 -48.3 -6.3 -17.6 -8.3 72 91 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.954 110.1 51.4 -51.3 -50.3 -5.5 -20.5 -10.8 73 92 A N H X S+ 0 0 31 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.818 108.5 50.7 -56.6 -35.1 -2.1 -20.7 -9.2 74 93 A S H X S+ 0 0 0 -4,-1.6 4,-1.4 -3,-0.2 -1,-0.2 0.891 110.6 48.2 -71.3 -43.5 -3.6 -20.9 -5.7 75 94 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 3,-0.4 0.961 114.3 47.3 -57.5 -50.0 -5.9 -23.7 -6.7 76 95 A C H X S+ 0 0 15 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.882 112.2 48.3 -61.0 -41.0 -3.0 -25.6 -8.3 77 96 A N H < S+ 0 0 90 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.763 118.6 40.2 -73.6 -23.0 -0.6 -25.2 -5.4 78 97 A T H < S+ 0 0 23 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.664 124.4 31.8-102.1 -21.0 -3.2 -26.3 -2.9 79 98 A T H < S- 0 0 44 -4,-2.1 -3,-0.2 2,-0.2 -2,-0.2 0.563 95.9-125.8-108.6 -17.0 -5.0 -29.2 -4.6 80 99 A G < + 0 0 66 -4,-1.5 -4,-0.1 -5,-0.4 -3,-0.1 0.289 57.1 150.4 85.2 -9.1 -2.1 -30.6 -6.7 81 100 A V - 0 0 15 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.266 55.8 -95.3 -58.4 139.4 -4.2 -30.3 -9.9 82 101 A E - 0 0 68 1,-0.1 -1,-0.1 -3,-0.1 -5,-0.0 -0.259 39.1-108.3 -61.1 139.7 -2.0 -29.6 -13.0 83 102 A K - 0 0 104 -3,-0.1 -1,-0.1 -7,-0.1 -10,-0.0 -0.570 33.9-127.8 -71.5 123.5 -1.6 -26.0 -14.1 84 103 A P - 0 0 9 0, 0.0 36,-0.1 0, 0.0 -1,-0.1 -0.371 2.9-137.8 -71.1 154.8 -3.5 -25.2 -17.4 85 104 A K S S+ 0 0 148 34,-0.3 2,-0.3 1,-0.1 35,-0.1 0.624 91.0 34.2 -84.4 -18.9 -1.7 -23.6 -20.3 86 105 A F S S- 0 0 92 33,-0.1 -1,-0.1 0, 0.0 33,-0.0 -0.964 102.1 -88.7-134.1 151.0 -4.7 -21.3 -20.9 87 106 A L - 0 0 47 -2,-0.3 -2,-0.1 -3,-0.1 -18,-0.1 -0.438 42.1-154.1 -62.4 116.9 -7.1 -19.6 -18.5 88 107 A P - 0 0 3 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.220 17.3-122.9 -77.7-178.1 -10.1 -21.9 -17.8 89 108 A D S S+ 0 0 1 10,-2.1 -29,-2.6 1,-0.2 -28,-2.0 0.776 79.7 4.3 -99.8 -33.6 -13.5 -20.4 -16.8 90 109 A L E -AB 59 99A 0 9,-1.8 9,-2.5 -31,-0.2 2,-0.4 -0.947 55.6-137.2-144.1 161.4 -14.2 -22.1 -13.5 91 110 A Y E -AB 58 98A 0 -33,-2.3 -33,-2.8 -2,-0.3 2,-0.8 -1.000 19.0-145.3-121.0 133.9 -12.7 -24.5 -11.0 92 111 A D E >> -AB 57 97A 0 5,-2.9 4,-1.3 -2,-0.4 5,-1.2 -0.842 11.6-172.0 -99.3 107.7 -15.0 -27.2 -9.5 93 112 A Y T 45S+ 0 0 4 -37,-2.7 -1,-0.2 -2,-0.8 -36,-0.1 0.829 85.3 56.4 -68.6 -30.0 -14.1 -27.9 -5.9 94 113 A K T 45S+ 0 0 120 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.949 121.4 25.3 -65.0 -48.2 -16.5 -30.9 -5.8 95 114 A E T 45S- 0 0 84 2,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.529 102.7-128.3 -94.7 -6.6 -14.9 -32.8 -8.8 96 115 A N T <5 + 0 0 58 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.914 66.3 111.0 55.0 53.8 -11.5 -31.2 -8.4 97 116 A R E < -B 92 0A 31 -5,-1.2 -5,-2.9 -16,-0.1 -1,-0.2 -0.997 67.5-114.3-148.5 149.3 -11.0 -30.0 -12.0 98 117 A F E -B 91 0A 2 -2,-0.3 27,-3.1 -7,-0.2 2,-0.4 -0.499 32.8-148.5 -72.2 154.7 -10.9 -26.8 -14.0 99 118 A I E -Bc 90 125A 0 -9,-2.5 -10,-2.1 25,-0.2 -9,-1.8 -0.999 8.3-157.8-130.0 130.6 -13.7 -26.4 -16.5 100 119 A E E - 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0 0 51 -3,-2.1 -1,-0.2 -4,-0.1 -3,-0.1 -0.866 29.5-174.8 -99.1 102.2 -41.1 -34.5 20.0 685 161 D Y - 0 0 70 -2,-0.9 2,-2.7 1,-0.1 -1,-0.1 0.289 18.6-147.1 -90.8 8.3 -39.0 -31.4 19.7 686 162 D T S S+ 0 0 17 -51,-0.0 2,-0.2 -6,-0.0 -1,-0.1 -0.298 71.5 59.3 67.1 -64.1 -40.0 -30.4 16.1 687 163 D L S S- 0 0 10 -2,-2.7 -2,-0.1 1,-0.1 -92,-0.1 -0.520 94.1 -92.2 -92.9 162.4 -36.7 -28.9 15.0 688 164 D D > - 0 0 86 -94,-0.3 4,-1.4 -2,-0.2 3,-0.3 -0.189 45.2-100.5 -66.1 166.9 -33.2 -30.3 14.8 689 165 D E H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 116.0 56.9 -65.2 -44.4 -30.8 -30.0 17.9 690 166 D E H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 106.0 51.6 -57.3 -37.7 -28.7 -27.0 16.7 691 167 D S H > S+ 0 0 3 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.916 113.3 43.7 -68.0 -44.3 -31.8 -24.8 16.2 692 168 D R H X S+ 0 0 17 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.908 111.1 56.0 -62.8 -40.5 -33.1 -25.5 19.7 693 169 D A H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.864 102.5 54.9 -63.5 -38.0 -29.5 -25.1 21.1 694 170 D R H X S+ 0 0 67 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.890 109.1 48.8 -55.6 -43.2 -29.2 -21.5 19.6 695 171 D I H X S+ 0 0 1 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.2 49.7 -67.6 -42.9 -32.4 -20.6 21.4 696 172 D K H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 110.3 52.2 -63.0 -41.4 -31.2 -22.0 24.7 697 173 D T H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.924 108.2 49.1 -61.0 -46.1 -28.0 -20.1 24.3 698 174 D R H X S+ 0 0 59 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.903 109.1 53.5 -62.1 -42.9 -29.7 -16.8 23.7 699 175 D L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.922 109.3 47.8 -56.9 -45.6 -31.9 -17.2 26.7 700 176 D F H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.841 110.0 52.5 -66.9 -33.5 -29.0 -17.8 29.0 701 177 D T H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.933 108.2 51.4 -66.7 -41.4 -27.2 -14.8 27.6 702 178 D I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.926 109.3 51.2 -58.0 -47.7 -30.3 -12.7 28.3 703 179 D R H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.941 111.6 46.3 -51.6 -52.2 -30.2 -14.1 31.9 704 180 D Q H X S+ 0 0 48 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.848 109.9 52.7 -64.7 -39.6 -26.6 -13.1 32.4 705 181 D E H X S+ 0 0 35 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.933 113.3 45.0 -63.7 -42.5 -27.0 -9.6 30.9 706 182 D M H ><>S+ 0 0 0 -4,-2.5 5,-3.0 -5,-0.2 3,-0.8 0.896 111.9 53.4 -61.5 -41.5 -29.9 -9.1 33.4 707 183 D A H ><5S+ 0 0 54 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.894 103.2 55.1 -65.1 -41.3 -27.8 -10.5 36.2 708 184 D S H 3<5S+ 0 0 90 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.661 111.3 45.7 -67.4 -17.6 -24.9 -8.2 35.7 709 185 D R T <<5S- 0 0 106 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.350 116.6-112.1-102.2 -0.3 -27.2 -5.2 36.0 710 186 D G T < 5S+ 0 0 64 -3,-1.4 4,-0.3 -4,-0.3 -3,-0.2 0.770 89.3 113.3 68.9 28.5 -29.0 -6.6 39.1 711 187 D L >< + 0 0 36 -5,-3.0 4,-1.5 -6,-0.2 -4,-0.2 0.515 51.7 78.5-100.5 -10.3 -32.2 -7.0 37.1 712 188 D W H > S+ 0 0 15 -6,-0.7 4,-2.8 2,-0.2 5,-0.2 0.910 86.0 55.1 -73.3 -41.1 -32.4 -10.8 37.2 713 189 D D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 112.0 43.8 -59.5 -50.7 -33.8 -11.4 40.7 714 190 D S H > S+ 0 0 67 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.884 113.5 52.5 -56.7 -42.2 -36.8 -9.2 40.2 715 191 D F H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.915 110.3 46.9 -65.2 -43.2 -37.4 -10.7 36.7 716 192 D R H >X S+ 0 0 83 -4,-2.8 4,-1.1 1,-0.2 3,-0.5 0.917 116.4 44.5 -61.9 -45.1 -37.4 -14.3 38.0 717 193 D Q H 3X S+ 0 0 120 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.806 99.5 69.1 -73.4 -32.0 -39.7 -13.4 40.9 718 194 D S H 3X S+ 0 0 45 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.794 102.4 46.6 -59.0 -29.4 -42.2 -11.3 38.8 719 195 D E H