==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 09-DEC-10 3PWX . COMPND 2 MOLECULE: PUTATIVE FLAGELLAR HOOK-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR U.A.RAMAGOPAL,Y.PATSKOVSKY,R.TORO,S.K.BURLEY,S.C.ALMO,NEW YO . 418 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 80.1 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 . 23 5.5 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 62.7 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+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 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 4 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 . 2 1 1 2 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 . 1 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 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 38 A S > 0 0 122 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -60.7 68.2 1.9 14.2 2 39 A L G > + 0 0 124 1,-0.2 3,-0.6 2,-0.1 7,-0.2 0.771 360.0 63.5 -63.9 -25.1 67.9 5.7 14.6 3 40 A S G 3 S+ 0 0 92 1,-0.2 -1,-0.2 6,-0.1 6,-0.0 0.697 78.9 85.4 -72.9 -24.0 71.7 5.7 14.1 4 41 A D G < S+ 0 0 139 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.808 111.6 8.5 -45.5 -48.6 71.4 4.3 10.5 5 42 A D S <> S+ 0 0 97 -3,-0.6 4,-1.8 -4,-0.3 -1,-0.3 -0.779 76.3 179.1-138.4 100.5 70.9 7.8 9.0 6 43 A P H > S+ 0 0 79 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.761 76.0 46.9 -81.1 -32.8 71.5 10.5 11.7 7 44 A X H > S+ 0 0 146 2,-0.2 4,-0.9 1,-0.2 5,-0.0 0.784 116.5 47.1 -80.0 -26.3 71.0 13.9 9.9 8 45 A A H > S+ 0 0 21 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.873 107.8 58.1 -72.2 -41.4 67.8 12.5 8.3 9 46 A S H X S+ 0 0 22 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.911 108.0 44.8 -47.9 -53.3 66.8 11.3 11.8 10 47 A I H X S+ 0 0 80 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.792 111.7 54.4 -61.0 -35.0 67.0 14.8 13.2 11 48 A K H X S+ 0 0 76 -4,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.939 110.0 45.9 -68.3 -45.5 65.2 16.1 10.2 12 49 A L H X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.920 111.0 52.6 -64.3 -43.7 62.4 13.7 10.8 13 50 A L H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.859 109.2 49.4 -63.2 -38.4 62.2 14.4 14.5 14 51 A N H X S+ 0 0 86 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.817 108.9 51.9 -73.0 -27.0 61.9 18.1 13.8 15 52 A L H X S+ 0 0 23 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.890 109.1 51.9 -68.5 -35.9 59.2 17.5 11.3 16 53 A E H X S+ 0 0 118 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.937 110.8 46.8 -61.6 -47.8 57.4 15.5 14.0 17 54 A R H X S+ 0 0 191 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.808 114.1 47.4 -62.9 -35.6 57.7 18.3 16.6 18 55 A E H X S+ 0 0 87 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.883 111.8 51.0 -73.2 -39.4 56.5 20.9 14.0 19 56 A N H X S+ 0 0 34 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.924 109.6 50.3 -60.3 -43.0 53.6 18.5 13.1 20 57 A S H X S+ 0 0 76 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.834 107.3 54.0 -66.0 -33.8 52.7 18.2 16.8 21 58 A A H X S+ 0 0 37 -4,-1.4 4,-2.6 2,-0.2 3,-0.5 0.985 109.5 47.2 -63.5 -56.6 52.7 22.0 17.2 22 59 A I H X S+ 0 0 8 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.889 109.6 53.8 -46.0 -45.8 50.2 22.5 14.3 23 60 A A H X S+ 0 0 52 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.888 109.4 50.0 -65.6 -31.4 48.0 19.7 15.7 24 61 A Q H X S+ 0 0 120 -4,-1.6 4,-1.8 -3,-0.5 -2,-0.2 0.946 110.2 47.7 -71.5 -45.9 48.0 21.6 19.0 25 62 A Y H X S+ 0 0 44 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.917 111.1 51.3 -58.3 -41.2 47.1 25.0 17.4 26 63 A Q H X S+ 0 0 34 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.813 108.4 52.6 -72.0 -23.8 44.3 23.4 15.4 27 64 A S H X S+ 0 0 56 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.3 0.808 108.1 50.5 -73.8 -31.5 43.1 21.9 18.7 28 65 A N H X S+ 0 0 43 -4,-1.8 4,-2.2 -3,-0.2 -2,-0.2 0.912 112.2 48.3 -68.7 -42.6 43.0 25.3 20.3 29 66 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.931 110.7 47.6 -66.3 -50.0 41.1 26.6 17.3 30 67 A A H X S+ 0 0 50 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.926 115.1 49.5 -54.3 -41.7 38.4 23.8 17.3 31 68 A N H X S+ 0 0 93 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.909 109.6 49.5 -70.3 -29.8 38.1 24.4 21.1 32 69 A L H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 3,-0.2 0.932 108.0 53.8 -72.8 -38.7 37.7 28.1 20.7 33 70 A K H X S+ 0 0 52 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.832 107.8 52.3 -59.7 -34.3 35.0 27.6 18.0 34 71 A T H X S+ 0 0 93 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.866 111.0 44.9 -70.1 -37.9 33.2 25.4 20.4 35 72 A T H X S+ 0 0 65 -4,-1.5 4,-1.5 -3,-0.2 -2,-0.2 0.831 112.6 52.3 -76.8 -33.8 33.3 28.0 23.2 36 73 A L H >X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 3,-0.5 0.950 108.1 49.2 -71.9 -44.1 32.3 30.7 20.8 37 74 A S H 3X S+ 0 0 53 -4,-2.5 4,-2.1 1,-0.3 3,-0.3 0.904 106.7 59.1 -59.1 -43.1 29.2 28.9 19.5 38 75 A S H 3X S+ 0 0 47 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.874 106.0 46.2 -52.3 -41.8 28.3 28.3 23.1 39 76 A Q H > + 0 0 67 3,-0.1 4,-1.3 1,-0.1 3,-0.6 0.827 23.8 170.8 47.0 43.3 -7.6 47.4 30.5 67 104 A D T 34 + 0 0 112 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.714 66.5 46.4 -57.1 -35.0 -5.6 47.8 33.8 68 105 A Q T >4 S+ 0 0 140 1,-0.2 3,-1.8 2,-0.2 -1,-0.3 0.823 105.3 60.4 -78.3 -34.6 -6.4 44.4 35.3 69 106 A D T X> S+ 0 0 106 -3,-0.6 3,-1.9 1,-0.3 4,-0.7 0.852 91.9 70.3 -57.4 -34.7 -5.6 42.6 32.1 70 107 A R H 3X S+ 0 0 10 -4,-1.3 4,-1.4 1,-0.3 -1,-0.3 0.426 77.3 81.8 -62.8 1.3 -2.1 44.0 32.4 71 108 A S H <> S+ 0 0 61 -3,-1.8 4,-0.9 2,-0.2 -1,-0.3 0.733 91.8 47.4 -79.3 -20.2 -1.6 41.6 35.3 72 109 A G H <> S+ 0 0 43 -3,-1.9 4,-1.6 -4,-0.2 -2,-0.2 0.797 108.4 54.5 -88.4 -32.0 -0.8 38.8 32.8 73 110 A X H X S+ 0 0 36 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.902 102.6 58.9 -61.5 -44.6 1.6 41.0 30.8 74 111 A I H X S+ 0 0 17 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.904 104.9 48.3 -53.6 -48.0 3.5 41.7 34.0 75 112 A T H X S+ 0 0 89 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.884 111.4 50.0 -58.4 -44.1 4.2 38.0 34.6 76 113 A E H X S+ 0 0 93 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.872 109.7 51.0 -69.3 -33.7 5.4 37.5 31.1 77 114 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.2 0.970 109.5 50.3 -61.1 -52.1 7.7 40.6 31.3 78 115 A K H X S+ 0 0 83 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.791 107.9 56.4 -55.2 -30.7 9.1 39.2 34.5 79 116 A S H X S+ 0 0 56 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.926 110.6 40.0 -65.1 -50.6 9.7 35.9 32.6 80 117 A Y H X S+ 0 0 61 -4,-1.9 4,-1.8 -3,-0.2 -2,-0.2 0.855 113.7 57.2 -68.5 -36.5 11.8 37.3 29.8 81 118 A R H X S+ 0 0 27 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.938 111.4 41.1 -54.5 -47.8 13.5 39.5 32.4 82 119 A D H X S+ 0 0 66 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.945 111.8 54.7 -72.9 -45.9 14.6 36.4 34.4 83 120 A S H X S+ 0 0 41 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.783 107.8 50.8 -51.7 -34.0 15.5 34.4 31.4 84 121 A I H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.864 108.4 52.1 -76.5 -35.0 17.8 37.2 30.2 85 122 A E H X S+ 0 0 44 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.932 109.5 50.9 -63.4 -43.5 19.4 37.2 33.7 86 123 A S H < S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 107.6 51.8 -59.3 -38.9 19.9 33.5 33.4 87 124 A S H >< S+ 0 0 9 -4,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.913 109.1 48.6 -70.3 -40.5 21.6 33.7 30.0 88 125 A F H 3< S+ 0 0 0 -4,-1.9 11,-0.3 1,-0.3 20,-0.2 0.670 112.1 51.4 -74.7 -10.3 24.1 36.3 31.1 89 126 A N T 3< S+ 0 0 30 -4,-0.7 -1,-0.3 19,-0.1 -2,-0.2 0.094 81.7 143.3-108.5 14.2 24.9 34.1 34.1 90 127 A A < - 0 0 9 -3,-1.5 8,-1.8 7,-0.1 9,-0.5 -0.210 33.2-159.0 -52.3 145.6 25.5 31.0 32.0 91 128 A Q B -A 97 0A 107 6,-0.2 6,-0.2 7,-0.1 2,-0.1 -0.881 11.6-123.4-125.0 157.3 28.2 28.7 33.2 92 129 A D > - 0 0 34 4,-1.9 3,-0.8 -2,-0.3 -1,-0.0 -0.228 43.5 -86.2 -86.1-173.8 30.2 26.1 31.4 93 130 A E T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.744 129.7 54.5 -67.6 -28.4 30.5 22.4 32.4 94 131 A E T 3 S- 0 0 135 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.699 122.8-106.1 -72.9 -20.7 33.4 23.2 34.8 95 132 A G < + 0 0 25 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.530 69.7 145.8 100.3 11.7 31.2 25.8 36.5 96 133 A H - 0 0 55 1,-0.1 -4,-1.9 2,-0.0 2,-0.8 -0.609 54.9-113.8 -85.4 141.4 32.8 28.9 35.1 97 134 A F B > -A 91 0A 30 7,-3.5 3,-1.1 -2,-0.3 -6,-0.2 -0.605 23.2-156.7 -74.5 111.9 30.8 32.1 34.4 98 135 A L T 3 S+ 0 0 16 -8,-1.8 41,-0.4 -2,-0.8 3,-0.2 0.763 85.9 36.3 -54.5 -30.8 30.9 32.6 30.6 99 136 A F T 3 S+ 0 0 0 -9,-0.5 42,-2.7 -11,-0.3 43,-0.5 0.240 86.5 95.7-122.6 14.3 30.1 36.3 30.7 100 137 A S S X S- 0 0 0 -3,-1.1 21,-2.1 1,-0.3 3,-1.6 0.201 77.6-133.2 -90.2 10.9 31.9 37.6 33.7 101 138 A G T 3 S- 0 0 0 38,-0.5 -1,-0.3 -3,-0.2 21,-0.1 -0.546 76.6 -22.2 69.1-137.0 35.1 38.8 32.1 102 139 A T T 3 S+ 0 0 63 -2,-0.3 2,-1.4 1,-0.2 -1,-0.2 0.496 119.3 89.3 -89.8 0.6 38.0 37.6 34.3 103 140 A K X + 0 0 94 -3,-1.6 3,-1.9 1,-0.2 -1,-0.2 -0.541 56.2 168.0 -90.8 68.3 35.9 37.1 37.5 104 141 A T T 3 + 0 0 41 -2,-1.4 -7,-3.5 1,-0.3 -1,-0.2 0.619 68.3 46.8 -69.0 -21.1 35.1 33.5 36.4 105 142 A D T 3 S+ 0 0 123 -9,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.314 97.7 86.1 -98.3 6.3 33.6 32.3 39.7 106 143 A T S < S- 0 0 48 -3,-1.9 -3,-0.1 -9,-0.1 -6,-0.1 -0.928 84.9-114.0-114.1 129.9 31.4 35.3 40.1 107 144 A A - 0 0 29 -2,-0.5 12,-0.2 1,-0.1 -18,-0.1 -0.275 21.5-133.3 -50.2 137.7 27.9 35.6 38.6 108 145 A A S S+ 0 0 0 -20,-0.2 11,-2.3 11,-0.2 12,-1.8 0.846 89.7 37.8 -67.0 -32.8 27.8 38.4 35.9 109 146 A L E -B 118 0B 4 9,-0.3 2,-0.4 10,-0.2 9,-0.2 -0.952 64.4-176.2-126.2 138.7 24.6 39.8 37.4 110 147 A N E -B 117 0B 48 7,-2.0 7,-3.0 -2,-0.4 3,-0.1 -0.997 13.2-178.0-134.4 137.9 23.4 40.2 41.0 111 148 A K > + 0 0 63 -2,-0.4 3,-2.5 5,-0.2 -1,-0.1 0.361 52.4 112.8-116.9 0.9 20.0 41.5 42.2 112 149 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.660 72.9 58.8 -41.0 -28.3 20.7 41.2 45.9 113 150 A S T 3 S- 0 0 90 2,-0.6 -1,-0.3 -3,-0.1 3,-0.1 0.515 122.1 -98.9 -89.7 -2.3 20.6 45.0 46.3 114 151 A G S < S+ 0 0 65 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.146 105.3 63.4 95.3 -17.2 17.1 45.5 45.0 115 152 A A S S- 0 0 37 -5,-0.1 -2,-0.6 -4,-0.0 2,-0.4 -0.926 97.0 -93.8-130.6 158.4 18.4 46.4 41.5 116 153 A Y - 0 0 6 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.2 -0.643 43.7-171.7 -72.3 125.6 20.4 44.5 38.9 117 154 A V E -B 110 0B 62 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.9 -0.971 22.5-129.5-116.9 131.9 24.0 45.2 39.3 118 155 A V E +B 109 0B 32 -2,-0.4 -9,-0.3 -9,-0.2 -10,-0.1 -0.689 31.0 170.1 -80.4 112.1 26.7 44.0 36.8 119 156 A E + 0 0 66 -11,-2.3 -10,-0.2 -2,-0.9 -11,-0.2 0.651 49.2 92.6 -97.4 -10.9 29.4 42.2 38.8 120 157 A G S S- 0 0 3 -12,-1.8 -19,-0.2 -21,-0.1 2,-0.2 -0.345 70.7-138.8 -64.4 160.1 31.3 40.7 35.9 121 158 A N - 0 0 30 -21,-2.1 21,-0.5 2,-0.1 22,-0.2 -0.425 17.2-114.6-106.0-169.7 34.1 42.9 34.7 122 159 A S + 0 0 57 -2,-0.2 -21,-0.2 20,-0.1 18,-0.1 0.100 60.3 138.7-122.0 27.0 35.0 43.5 31.0 123 160 A D - 0 0 79 -23,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.341 46.1-130.3 -65.9 148.1 38.4 41.8 30.7 124 161 A V - 0 0 78 -2,-0.1 2,-0.3 -23,-0.1 -1,-0.1 -0.765 10.7-152.1-101.0 141.4 39.2 39.7 27.6 125 162 A R - 0 0 70 -2,-0.4 12,-2.6 -24,-0.0 13,-0.8 -0.849 17.5-151.8 -98.7 155.8 40.6 36.3 27.7 126 163 A V E -C 136 0C 76 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.893 10.7-155.3-126.6 156.0 42.8 35.1 24.8 127 164 A V E -C 135 0C 40 8,-2.2 8,-3.5 -2,-0.3 2,-0.4 -0.995 23.5-124.6-131.0 136.2 43.7 31.9 23.2 128 165 A T E +C 134 0C 61 -2,-0.4 6,-0.2 6,-0.3 3,-0.1 -0.670 32.0 170.5 -81.7 127.1 46.8 31.3 21.1 129 166 A V E + 0 0 0 4,-2.8 2,-0.3 1,-0.5 5,-0.1 0.431 64.1 2.0-127.0 -5.5 45.9 30.0 17.7 130 167 A A E > S-C 133 0C 0 3,-0.9 3,-3.0 -102,-0.0 -1,-0.5 -0.873 105.8 -53.6-168.3 163.1 49.2 30.1 15.8 131 168 A K T 3 S- 0 0 108 1,-0.3 205,-0.1 -2,-0.3 3,-0.1 -0.169 126.5 -7.6 -47.4 117.1 52.8 31.0 16.7 132 169 A G T 3 S+ 0 0 8 1,-0.2 204,-2.5 203,-0.1 2,-0.4 0.677 110.4 112.7 66.9 23.2 52.6 34.5 18.2 133 170 A V E < -CD 130 335C 0 -3,-3.0 -4,-2.8 202,-0.2 -3,-0.9 -0.979 42.1-173.4-129.5 123.5 48.9 35.0 17.4 134 171 A T E -CD 128 334C 21 200,-2.2 200,-2.1 -2,-0.4 2,-0.4 -0.863 9.1-156.5-116.2 149.2 46.1 35.3 19.9 135 172 A X E -CD 127 333C 0 -8,-3.5 -8,-2.2 -2,-0.4 2,-0.2 -0.970 26.5-116.3-120.8 135.7 42.4 35.5 19.4 136 173 A D E -C 126 0C 19 196,-2.3 -10,-0.2 -2,-0.4 -12,-0.0 -0.547 30.1-174.2 -71.4 138.4 40.0 37.0 22.0 137 174 A S + 0 0 13 -12,-2.6 2,-0.3 -2,-0.2 -11,-0.2 0.466 48.4 68.4-122.5 -4.0 37.6 34.3 23.2 138 175 A N - 0 0 3 -13,-0.8 2,-0.3 -39,-0.0 -39,-0.1 -0.808 51.0-156.7-118.8 159.8 35.1 36.0 25.5 139 176 A X - 0 0 6 -41,-0.4 -38,-0.5 -2,-0.3 2,-0.4 -0.863 25.0-136.6-113.1 157.8 32.1 38.4 25.4 140 177 A T > - 0 0 4 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.972 16.8-148.2-121.2 139.3 31.1 40.3 28.5 141 178 A A H > S+ 0 0 0 -42,-2.7 4,-2.9 -2,-0.4 5,-0.3 0.908 103.6 60.4 -57.1 -40.0 27.8 41.1 30.1 142 179 A Q H 4 S+ 0 0 74 -43,-0.5 4,-0.5 -21,-0.5 -1,-0.2 0.878 109.9 37.5 -64.5 -35.5 29.4 44.3 31.3 143 180 A E H 4 S+ 0 0 106 -3,-0.3 3,-0.3 -22,-0.2 -1,-0.2 0.894 119.8 48.9 -76.1 -38.5 30.1 45.6 27.8 144 181 A I H < S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.853 112.3 45.8 -69.3 -37.0 26.8 44.2 26.3 145 182 A L S < S+ 0 0 4 -4,-2.9 2,-0.9 -5,-0.2 -1,-0.2 0.611 85.8 107.3 -83.4 -13.9 24.5 45.6 29.0 146 183 A D + 0 0 94 -4,-0.5 3,-0.1 -5,-0.3 5,-0.0 -0.541 27.2 155.2 -72.5 107.6 26.1 49.0 28.9 147 184 A I - 0 0 42 -2,-0.9 -1,-0.2 1,-0.7 2,-0.2 0.070 67.6 -91.9-111.4 20.9 23.7 51.4 27.2 148 185 A G S > S+ 0 0 30 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176 B X - 0 0 9 -2,-0.4 2,-0.4 -31,-0.1 -28,-0.3 -0.709 36.2-135.9 -95.2 157.7 62.4 38.6 18.4 340 177 B T > - 0 0 1 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.961 17.1-138.8-131.3 137.7 64.6 39.2 21.3 341 178 B A H > S+ 0 0 6 -32,-2.6 4,-3.4 -2,-0.4 5,-0.3 0.892 107.7 57.0 -50.1 -47.7 68.4 39.3 21.9 342 179 B Q H > S+ 0 0 81 -33,-0.5 4,-0.9 -21,-0.5 -1,-0.2 0.927 111.9 40.0 -54.4 -54.1 67.8 37.5 25.2 343 180 B E H 4 S+ 0 0 104 -22,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.918 120.5 45.0 -59.2 -46.9 66.0 34.5 23.5 344 181 B I H < S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.833 116.3 43.4 -70.9 -36.6 68.5 34.5 20.4 345 182 B L H < S+ 0 0 16 -4,-3.4 2,-1.2 -5,-0.2 -1,-0.2 0.618 87.1 105.1 -85.9 -8.0 71.7 34.8 22.4 346 183 B D < + 0 0 102 -4,-0.9 -1,-0.1 -5,-0.3 -4,-0.0 -0.598 25.4 142.6 -76.2 96.8 70.6 32.3 25.0 347 184 B I 0 0 53 -2,-1.2 -1,-0.2 39,-0.0 -4,-0.0 0.163 360.0 360.0-112.8 6.5 72.6 29.2 24.1 348 185 B G 0 0 102 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.341 360.0 360.0 133.8 360.0 73.0 28.5 27.8 349 ! 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 0.0 350 189 B N > 0 0 65 0, 0.0 4,-1.2 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 130.5 76.9 34.6 25.0 351 190 B V H > + 0 0 2 -6,-0.2 4,-0.9 1,-0.2 5,-0.1 0.732 360.0 72.4 -58.9 -23.4 78.8 33.8 21.8 352 191 B L H 4 S+ 0 0 13 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.812 106.6 27.6 -75.0 -34.1 80.0 37.4 22.2 353 192 B N H > S+ 0 0 60 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.551 109.8 70.6-101.5 -9.4 82.4 36.8 25.1 354 193 B Q H < S+ 0 0 47 -4,-1.2 4,-0.4 2,-0.2 -2,-0.2 0.718 104.4 45.0 -65.2 -23.3 83.0 33.2 24.1 355 194 B I T X S+ 0 0 2 -4,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.680 106.4 58.3 -91.7 -24.5 84.9 34.9 21.2 356 195 B D H > S+ 0 0 58 -4,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.835 106.0 51.0 -67.7 -34.8 86.6 37.3 23.7 357 196 B A H X S+ 0 0 39 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.781 114.1 44.1 -70.7 -29.4 88.0 34.3 25.4 358 197 B L H > S+ 0 0 0 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.879 104.5 56.9 -87.0 -41.3 89.3 32.9 22.1 359 198 B I H X S+ 0 0 26 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.769 107.7 57.5 -59.7 -22.2 90.8 36.0 20.6 360 199 B A H >X S+ 0 0 50 -4,-0.7 4,-1.6 2,-0.2 3,-0.7 0.983 106.2 42.5 -64.9 -64.5 92.8 35.9 23.8 361 200 B E H 3< S+ 0 0 22 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.687 111.2 60.7 -62.0 -15.6 94.2 32.4 23.3 362 201 B F H 3< S+ 0 0 48 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.900 101.4 51.2 -71.0 -43.6 94.8 33.6 19.7 363 202 B E H << S+ 0 0 164 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.1 0.806 136.9 2.1 -66.8 -32.5 97.1 36.4 21.0 364 203 B K S < S- 0 0 70 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 -0.596 86.7-130.4-154.6 93.4 99.1 33.9 23.0 365 204 B P - 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.020 22.8-164.0 -41.4 136.3 98.1 30.2 22.8 366 205 B S > - 0 0 59 -5,-0.1 3,-1.0 1,-0.0 4,-0.3 -0.614 38.7 -99.3-111.8 176.5 97.7 28.3 26.1 367 206 B P T 3 S+ 0 0 145 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.684 127.6 52.8 -74.5 -10.8 97.5 24.5 26.7 368 207 B N T >> S+ 0 0 99 1,-0.2 3,-1.5 2,-0.1 4,-1.4 0.534 78.5 107.2 -87.2 -10.6 93.7 24.9 26.8 369 208 B F H <> S+ 0 0 54 -3,-1.0 4,-1.7 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