==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 27-MAY-10 3AJC . COMPND 2 MOLECULE: FLAGELLAR MOTOR SWITCH PROTEIN FLIG; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.IMADA,T.MINAMINO,M.KINOSHITA,K.NAMBA . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 72.9 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 . 0 0.0 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 4 2 2 0 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 . 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 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 1 105 A V 0 0 188 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.5 35.0 10.5 43.3 2 106 A K > - 0 0 130 1,-0.1 3,-1.6 2,-0.1 4,-0.1 -0.514 360.0-103.4 -82.3 140.0 34.9 12.9 40.5 3 107 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.206 104.9 16.7 -56.9 144.7 35.8 16.7 41.0 4 108 A F T > S+ 0 0 59 1,-0.1 3,-2.1 2,-0.1 4,-0.2 0.592 81.9 137.1 66.6 9.7 32.8 19.1 41.1 5 109 A S G X + 0 0 69 -3,-1.6 3,-0.6 1,-0.3 4,-0.2 0.678 59.0 69.5 -60.0 -18.6 30.6 16.1 41.7 6 110 A F G 3 S+ 0 0 129 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.423 76.9 90.7 -80.0 5.0 28.8 18.1 44.3 7 111 A V G X S+ 0 0 8 -3,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.879 80.4 50.1 -68.1 -42.4 27.4 20.3 41.5 8 112 A R T < S+ 0 0 187 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.665 110.6 55.8 -71.0 -11.1 24.2 18.4 40.8 9 113 A D T 3 S+ 0 0 145 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.547 96.5 87.8 -92.3 -11.5 23.7 18.7 44.5 10 114 A T S < S- 0 0 38 -3,-1.3 5,-0.0 -4,-0.3 -3,-0.0 -0.582 87.1 -88.3 -94.9 155.4 24.0 22.4 44.5 11 115 A D - 0 0 86 -2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.079 34.6-119.2 -48.8 165.9 21.4 25.1 43.9 12 116 A P S > S+ 0 0 102 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.877 98.4 17.6 -75.4 -57.6 20.4 26.4 40.4 13 117 A V H > S+ 0 0 87 2,-0.2 4,-3.2 3,-0.1 3,-0.2 0.801 115.4 64.5 -92.3 -42.8 21.1 30.2 40.2 14 118 A Q H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.863 101.0 61.1 -51.9 -29.8 23.5 30.6 43.1 15 119 A L H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.968 108.0 37.2 -61.0 -54.6 25.6 28.3 40.9 16 120 A V H X S+ 0 0 19 -4,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.837 110.6 66.9 -65.1 -31.1 25.7 30.8 38.0 17 121 A N H X S+ 0 0 91 -4,-3.2 4,-0.5 1,-0.2 -1,-0.2 0.905 106.7 36.7 -55.7 -47.7 26.0 33.6 40.6 18 122 A F H >< S+ 0 0 125 -4,-1.9 3,-0.7 -3,-0.3 -1,-0.2 0.908 115.5 52.0 -74.8 -44.1 29.5 32.4 41.8 19 123 A L H >< S+ 0 0 14 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.856 95.6 72.3 -62.1 -36.2 30.9 31.4 38.4 20 124 A Q H 3< S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 102.6 40.2 -46.7 -43.5 30.0 34.8 36.9 21 125 A S T << S+ 0 0 105 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.277 97.1 98.3 -94.8 10.9 32.7 36.6 38.8 22 126 A E S < S- 0 0 98 -3,-2.2 -3,-0.0 -4,-0.1 5,-0.0 -0.464 89.5 -85.5 -90.2 167.9 35.4 33.9 38.4 23 127 A H >> - 0 0 104 -2,-0.1 4,-2.0 1,-0.1 3,-0.7 -0.527 38.0-119.2 -72.8 139.1 38.1 34.0 35.7 24 128 A P H 3> S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.887 115.2 54.2 -43.0 -47.1 36.9 32.5 32.4 25 129 A Q H 3> S+ 0 0 44 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.891 107.0 50.0 -55.8 -43.7 39.6 29.9 32.6 26 130 A T H <> S+ 0 0 62 -3,-0.7 4,-1.7 1,-0.2 -1,-0.3 0.838 110.6 51.2 -64.9 -32.4 38.4 28.9 36.1 27 131 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.934 106.5 53.6 -68.9 -46.0 34.9 28.7 34.6 28 132 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.882 108.0 51.9 -54.9 -42.1 36.2 26.4 31.7 29 133 A V H X S+ 0 0 47 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.917 109.8 46.6 -63.2 -47.1 37.7 24.1 34.3 30 134 A V H >< S+ 0 0 16 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.930 115.8 44.9 -62.9 -46.4 34.6 23.6 36.4 31 135 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.862 103.3 62.3 -68.2 -37.4 32.3 23.0 33.3 32 136 A S H 3< S+ 0 0 7 -4,-2.2 50,-0.6 1,-0.3 -1,-0.2 0.672 103.4 54.2 -63.9 -13.3 34.7 20.7 31.6 33 137 A Y T << S+ 0 0 68 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.529 98.2 80.8 -95.3 -8.7 34.2 18.4 34.6 34 138 A L S < S- 0 0 21 -3,-1.8 -29,-0.1 -4,-0.3 -30,-0.0 -0.455 96.0 -85.8 -96.6 168.4 30.4 18.3 34.4 35 139 A D >> - 0 0 87 -2,-0.1 4,-2.5 1,-0.1 3,-0.7 -0.554 48.2-120.0 -67.3 134.6 28.0 16.4 32.4 36 140 A P H 3> S+ 0 0 18 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.833 110.1 53.8 -47.9 -45.9 27.6 18.4 29.1 37 141 A P H 3> S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.889 112.7 46.8 -60.7 -34.6 23.9 19.1 29.3 38 142 A V H <> S+ 0 0 16 -3,-0.7 4,-2.2 2,-0.2 5,-0.2 0.945 114.0 46.6 -69.2 -48.9 24.5 20.5 32.8 39 143 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.893 111.2 51.7 -60.5 -42.1 27.5 22.5 31.5 40 144 A A H X S+ 0 0 2 -4,-3.7 4,-2.7 1,-0.2 -1,-0.2 0.915 108.2 52.8 -62.1 -40.6 25.5 23.8 28.5 41 145 A Q H X S+ 0 0 151 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.913 114.2 41.5 -60.4 -45.1 22.7 24.9 30.9 42 146 A I H >X S+ 0 0 8 -4,-2.2 3,-0.9 2,-0.2 4,-0.6 0.936 113.7 52.9 -67.9 -47.5 25.2 26.9 33.0 43 147 A L H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.918 107.9 50.2 -54.5 -48.1 27.1 28.3 30.0 44 148 A G H 3< S+ 0 0 28 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.701 109.6 52.4 -66.9 -17.6 23.9 29.6 28.4 45 149 A A H << S+ 0 0 55 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.458 90.7 99.6 -95.9 -3.4 23.0 31.3 31.7 46 150 A L S << S- 0 0 6 -3,-1.4 5,-0.1 -4,-0.6 -29,-0.1 -0.409 94.1 -75.7 -79.6 159.0 26.3 33.0 32.0 47 151 A P >> - 0 0 35 0, 0.0 3,-3.1 0, 0.0 4,-1.1 -0.311 45.1-119.3 -55.7 131.0 26.8 36.7 31.0 48 152 A E H 3> S+ 0 0 109 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.822 111.0 62.7 -38.5 -44.3 26.8 36.9 27.2 49 153 A E H 34 S+ 0 0 146 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.627 106.0 44.7 -63.0 -14.3 30.4 38.4 27.3 50 154 A L H <> S+ 0 0 29 -3,-3.1 4,-3.1 2,-0.1 5,-0.3 0.723 92.1 83.5 -99.3 -27.4 31.8 35.2 28.9 51 155 A Q H X S+ 0 0 13 -4,-1.1 4,-2.2 -3,-0.4 5,-0.2 0.878 95.2 36.6 -45.1 -61.7 30.1 32.6 26.7 52 156 A T H X S+ 0 0 11 -4,-0.6 4,-2.9 2,-0.2 5,-0.2 0.948 118.9 48.8 -61.5 -51.0 32.4 32.5 23.7 53 157 A E H > S+ 0 0 59 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.919 113.7 47.3 -55.5 -46.5 35.7 32.9 25.7 54 158 A V H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.891 112.1 49.8 -63.5 -39.5 34.7 30.2 28.2 55 159 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.908 111.0 49.9 -66.9 -39.9 33.7 27.8 25.4 56 160 A K H X S+ 0 0 45 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.915 109.3 50.9 -64.1 -43.4 37.0 28.5 23.7 57 161 A R H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 109.1 51.8 -64.4 -30.3 39.0 27.8 26.9 58 162 A I H >< S+ 0 0 0 -4,-1.5 25,-2.4 2,-0.2 3,-1.0 0.902 110.2 49.2 -71.3 -39.4 37.1 24.6 27.3 59 163 A A H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.853 123.1 31.7 -66.4 -36.3 38.0 23.6 23.8 60 164 A L T >< S+ 0 0 38 -4,-2.2 3,-1.2 1,-0.2 4,-0.5 -0.046 80.7 144.7-112.2 30.4 41.7 24.5 24.4 61 165 A L T < S+ 0 0 8 -3,-1.0 3,-0.2 1,-0.3 -1,-0.2 0.781 83.5 7.1 -38.3 -55.3 41.8 23.5 28.1 62 166 A E T 3 S+ 0 0 67 -3,-0.2 -1,-0.3 -4,-0.2 10,-0.2 0.154 122.2 71.1-120.2 20.1 45.3 22.1 28.4 63 167 A R < + 0 0 119 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.1 0.090 59.8 118.1-117.0 15.6 46.4 23.1 24.9 64 168 A T S S- 0 0 71 -4,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.787 83.1 -4.0 -57.0 -34.0 46.6 26.8 25.6 65 169 A S S > S- 0 0 52 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.967 71.8-102.8-154.0 167.6 50.3 27.1 24.9 66 173 A V H > S+ 0 0 119 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.889 122.6 55.5 -59.9 -37.6 53.4 25.1 24.0 67 174 A K H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 106.1 48.8 -61.1 -46.4 54.4 25.4 27.7 68 175 A E H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.875 112.4 48.6 -63.0 -39.2 51.1 24.0 28.9 69 176 A I H X S+ 0 0 89 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.948 111.5 50.1 -64.9 -48.3 51.4 21.0 26.5 70 177 A E H X S+ 0 0 90 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.889 114.2 45.1 -56.8 -43.2 55.0 20.4 27.6 71 178 A R H X S+ 0 0 133 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.943 112.8 48.0 -67.8 -52.2 54.0 20.5 31.3 72 179 A N H X S+ 0 0 32 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.868 111.1 52.7 -58.4 -38.1 50.9 18.3 31.0 73 180 A L H X S+ 0 0 102 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.958 107.0 52.0 -62.6 -50.3 52.9 15.8 29.0 74 181 A E H X S+ 0 0 112 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 0.872 106.4 54.8 -53.8 -41.4 55.6 15.6 31.7 75 182 A K H >X S+ 0 0 142 -4,-2.0 4,-2.5 1,-0.2 3,-0.5 0.981 108.6 45.7 -57.5 -59.9 53.0 14.9 34.4 76 183 A K H 3< S+ 0 0 153 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 113.4 51.6 -52.4 -35.8 51.5 11.9 32.6 77 184 A I H 3< S+ 0 0 129 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.875 121.4 30.1 -66.0 -43.7 55.0 10.5 31.9 78 185 A S H << 0 0 100 -4,-2.0 -2,-0.2 -3,-0.5 -3,-0.2 0.856 360.0 360.0 -86.8 -52.0 56.2 10.8 35.5 79 186 A G < 0 0 95 -4,-2.5 -1,-0.1 -5,-0.2 0, 0.0 -0.737 360.0 360.0-125.0 360.0 53.4 10.4 38.1 80 ! 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 81 195 A V 0 0 75 0, 0.0 2,-0.2 0, 0.0 -48,-0.1 0.000 360.0 360.0 360.0 149.4 39.4 16.5 30.8 82 196 A G + 0 0 16 -50,-0.6 4,-0.4 1,-0.1 3,-0.2 -0.501 360.0 119.7 89.4-164.9 38.4 19.4 28.5 83 197 A G S > S- 0 0 20 -25,-2.4 4,-2.0 -26,-0.2 -23,-0.2 -0.376 76.8 -50.4 102.8 179.1 39.1 19.4 24.8 84 198 A I H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 129.1 53.1 -64.1 -41.4 37.2 19.5 21.5 85 199 A D H > S+ 0 0 55 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.922 109.1 48.9 -62.8 -45.2 34.8 16.7 22.3 86 200 A T H > S+ 0 0 26 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.965 113.4 47.5 -57.3 -53.1 33.7 18.3 25.6 87 201 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.912 112.2 49.0 -54.3 -49.1 33.2 21.6 23.8 88 202 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.857 110.3 51.3 -60.3 -39.5 31.2 20.0 20.9 89 203 A E H X S+ 0 0 83 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.868 111.1 48.0 -66.7 -37.7 29.0 18.1 23.4 90 204 A I H < S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.924 110.3 52.0 -69.0 -42.5 28.3 21.4 25.2 91 205 A M H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.870 106.1 54.3 -62.4 -36.8 27.5 23.1 22.0 92 206 A N H 3< S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.5 46.8 -67.1 -30.5 25.0 20.4 21.0 93 207 A N T 3< S+ 0 0 82 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.420 93.0 96.5 -92.1 0.4 23.2 20.8 24.3 94 208 A L S < S- 0 0 16 -3,-0.9 2,-0.2 -4,-0.5 -53,-0.1 -0.432 91.3 -91.1 -82.0 164.4 23.0 24.6 24.1 95 209 A D > - 0 0 80 -55,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.526 42.5-111.8 -71.3 147.1 19.9 26.3 22.8 96 210 A R H > S+ 0 0 187 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.871 113.3 54.0 -45.8 -50.3 20.3 26.9 19.0 97 211 A T H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.951 111.6 41.5 -53.8 -58.9 20.5 30.7 19.4 98 212 A T H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 114.7 53.4 -57.9 -42.9 23.3 30.8 21.9 99 213 A E H X S+ 0 0 19 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 108.3 50.3 -58.2 -43.9 25.1 28.0 20.0 100 214 A K H X S+ 0 0 112 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.869 109.1 51.3 -63.2 -39.8 24.9 30.0 16.8 101 215 A K H X S+ 0 0 116 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.900 112.0 45.8 -66.2 -41.7 26.3 33.1 18.4 102 216 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.896 114.6 48.1 -68.0 -39.4 29.3 31.3 19.9 103 217 A M H X S+ 0 0 16 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.902 109.3 52.5 -68.6 -41.9 30.0 29.5 16.6 104 218 A D H X S+ 0 0 104 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.905 111.6 47.1 -61.1 -42.0 29.8 32.7 14.5 105 219 A K H X S+ 0 0 87 -4,-1.8 4,-2.5 1,-0.2 3,-0.4 0.928 111.6 49.4 -66.8 -43.7 32.3 34.4 16.8 106 220 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 8,-0.4 0.861 105.6 58.3 -63.0 -34.4 34.7 31.5 16.8 107 221 A V H < S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 111.7 43.3 -61.5 -35.2 34.5 31.4 13.0 108 222 A Q H < S+ 0 0 148 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.897 128.2 23.5 -78.6 -42.9 35.7 35.0 13.1 109 223 A E H < S+ 0 0 139 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.664 138.7 21.1-100.6 -17.9 38.5 34.8 15.6 110 224 A N X + 0 0 47 -4,-3.0 4,-2.5 -5,-0.3 5,-0.3 -0.347 66.9 169.0-146.2 57.3 39.5 31.1 15.6 111 225 A P H > S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.769 78.5 47.5 -41.6 -39.7 38.3 29.7 12.2 112 226 A E H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.954 111.8 46.7 -71.4 -52.0 40.2 26.5 12.6 113 227 A L H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 110.3 56.0 -57.3 -37.7 39.2 25.6 16.1 114 228 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -8,-0.4 -1,-0.2 0.925 107.4 48.8 -60.6 -43.2 35.6 26.4 15.0 115 229 A D H X S+ 0 0 54 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.843 108.8 52.6 -66.7 -34.9 36.0 23.9 12.3 116 230 A E H X S+ 0 0 45 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.923 113.0 45.0 -66.4 -42.0 37.3 21.3 14.7 117 231 A I H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.923 110.9 51.9 -67.9 -46.2 34.3 21.8 17.0 118 232 A R H >< S+ 0 0 96 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.954 111.4 46.4 -56.5 -52.8 31.7 21.8 14.3 119 233 A R H >< S+ 0 0 45 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.819 110.7 53.8 -61.3 -30.0 32.9 18.5 12.8 120 234 A R H 3< S+ 0 0 72 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.610 95.9 70.0 -79.0 -10.3 33.1 17.1 16.3 121 235 A M T << + 0 0 23 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.557 68.4 123.8 -81.6 -10.0 29.4 18.1 16.9 122 236 A F < - 0 0 36 -3,-0.8 2,-0.3 -4,-0.3 79,-0.1 -0.298 42.1-170.1 -55.8 123.9 28.1 15.4 14.4 123 237 A V > - 0 0 60 1,-0.1 3,-1.6 -2,-0.0 4,-0.3 -0.747 37.9 -98.6-112.7 167.2 25.6 13.2 16.1 124 238 A F G > S+ 0 0 9 1,-0.3 3,-1.7 -2,-0.3 4,-0.1 0.869 122.4 54.3 -53.4 -42.6 24.1 9.9 14.7 125 239 A E G > S+ 0 0 69 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.718 89.4 78.7 -66.2 -19.1 20.9 11.6 13.5 126 240 A D G X S+ 0 0 46 -3,-1.6 3,-2.7 1,-0.3 4,-0.5 0.700 70.8 83.5 -61.9 -15.8 23.1 14.0 11.5 127 241 A I G X S+ 0 0 9 -3,-1.7 3,-0.9 -4,-0.3 -1,-0.3 0.745 77.6 68.4 -58.6 -21.5 23.4 11.2 9.0 128 242 A L G < S+ 0 0 42 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.718 91.3 61.5 -69.5 -19.3 20.1 12.4 7.7 129 243 A K G < S+ 0 0 135 -3,-2.7 -1,-0.2 -4,-0.2 -2,-0.2 0.701 89.3 91.8 -78.1 -20.6 22.0 15.5 6.6 130 244 A L S < S- 0 0 2 -3,-0.9 81,-0.2 -4,-0.5 2,-0.2 -0.436 79.5-116.8 -79.7 149.4 24.2 13.4 4.3 131 245 A D > - 0 0 54 79,-1.5 4,-2.0 -2,-0.1 3,-0.4 -0.504 33.4-104.0 -81.2 154.8 23.5 12.7 0.6 132 246 A D H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.791 118.6 53.5 -47.0 -40.8 22.8 9.1 -0.5 133 247 A R H > S+ 0 0 180 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.948 109.2 48.7 -63.7 -47.7 26.2 8.7 -2.1 134 248 A S H > S+ 0 0 7 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.899 109.4 53.5 -56.8 -43.7 28.1 9.7 1.0 135 249 A I H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.905 108.7 48.7 -59.3 -43.2 25.9 7.4 3.1 136 250 A Q H X S+ 0 0 65 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.916 107.4 55.9 -62.9 -43.3 26.8 4.4 0.8 137 251 A L H < S+ 0 0 30 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.934 111.0 45.3 -52.6 -47.0 30.5 5.4 1.1 138 252 A V H >< S+ 0 0 7 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.900 105.5 60.1 -64.8 -44.6 30.1 5.1 4.9 139 253 A L H >< S+ 0 0 28 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.838 93.8 63.4 -55.6 -37.8 28.2 1.8 4.8 140 254 A R T 3< S+ 0 0 184 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.678 103.4 52.4 -63.1 -13.4 31.0 -0.0 3.1 141 255 A E T < S+ 0 0 94 -3,-1.9 2,-0.5 -4,-0.3 -1,-0.3 0.324 94.7 86.3-103.6 6.0 33.0 0.7 6.3 142 256 A V < - 0 0 21 -3,-2.1 2,-0.1 -4,-0.1 54,-0.0 -0.928 69.7-135.7-116.7 124.8 30.5 -0.7 8.8 143 257 A D > - 0 0 85 -2,-0.5 4,-2.1 1,-0.1 3,-0.3 -0.370 29.0-110.2 -72.9 152.1 30.2 -4.3 9.9 144 258 A T H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 113.1 49.5 -47.6 -50.3 26.8 -5.9 10.2 145 259 A R H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 109.8 49.3 -64.6 -39.7 26.6 -6.1 13.9 146 260 A D H > S+ 0 0 25 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.904 111.9 50.9 -65.6 -36.7 27.7 -2.5 14.6 147 261 A L H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.947 110.1 48.6 -63.9 -48.6 25.1 -1.4 12.1 148 262 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.921 114.1 46.3 -58.2 -46.6 22.3 -3.4 13.8 149 263 A L H >< S+ 0 0 6 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.952 111.6 50.8 -60.0 -51.7 23.2 -2.1 17.2 150 264 A A H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.828 107.2 55.7 -56.4 -34.5 23.4 1.5 16.0 151 265 A L H >< S+ 0 0 11 -4,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.756 90.1 70.7 -73.3 -25.9 20.0 1.1 14.4 152 266 A K T << S+ 0 0 97 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.639 105.9 43.6 -65.7 -9.3 18.3 0.1 17.6 153 267 A G T < S+ 0 0 38 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.038 98.1 97.2-122.6 26.4 18.8 3.7 18.6 154 268 A A S < S- 0 0 10 -3,-1.9 2,-0.1 -30,-0.0 -3,-0.0 -0.803 76.7-101.9-116.0 158.0 17.9 5.5 15.4 155 269 A S > - 0 0 40 -2,-0.3 4,-2.8 1,-0.1 3,-0.5 -0.453 35.5-114.2 -73.2 148.6 14.7 7.2 14.2 156 270 A D H > S+ 0 0 122 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.842 119.0 54.8 -50.8 -36.3 12.5 5.2 11.8 157 271 A E H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.906 109.5 44.6 -66.4 -42.0 13.3 7.8 9.2 158 272 A L H > S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.872 110.2 56.9 -69.7 -35.2 17.1 7.4 9.7 159 273 A K H X S+ 0 0 73 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.960 109.9 45.6 -56.5 -51.9 16.5 3.6 9.6 160 274 A E H X S+ 0 0 122 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.934 109.3 51.5 -58.4 -52.6 14.9 4.0 6.2 161 275 A K H < S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.7 46.8 -58.1 -31.8 17.5 6.3 4.6 162 276 A I H >< S+ 0 0 4 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.2 0.947 112.7 49.1 -73.0 -48.4 20.2 3.9 5.7 163 277 A F H >< S+ 0 0 52 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.938 105.6 54.2 -57.2 -52.7 18.4 0.8 4.5 164 278 A K T 3< S+ 0 0 129 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.598 108.9 54.5 -62.5 -3.6 17.5 2.1 1.0 165 279 A N T < S+ 0 0 10 -3,-1.3 -1,-0.3 -5,-0.3 2,-0.2 0.310 89.4 94.4-111.2 7.7 21.3 2.8 0.7 166 280 A M S < S- 0 0 26 -3,-2.3 2,-0.1 -4,-0.1 -30,-0.1 -0.621 82.1-101.3 -98.2 159.0 22.6 -0.7 1.5 167 281 A S > - 0 0 63 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.473 35.8-114.7 -72.9 150.4 23.5 -3.5 -1.0 168 282 A K H > S+ 0 0 192 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.888 118.4 49.4 -53.4 -40.9 20.8 -6.2 -1.2 169 283 A R H > S+ 0 0 187 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 111.4 48.0 -69.1 -36.9 23.3 -8.7 0.3 170 284 A A H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.916 110.8 51.3 -69.2 -41.2 24.2 -6.3 3.2 171 285 A A H X S+ 0 0 9 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.906 110.2 49.7 -61.1 -42.0 20.6 -5.6 3.9 172 286 A A H X S+ 0 0 49 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.923 111.0 48.9 -64.4 -43.1 19.8 -9.3 4.1 173 287 A L H X S+ 0 0 78 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.941 112.5 49.3 -61.3 -44.5 22.7 -9.9 6.4 174 288 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.955 108.6 51.4 -59.0 -50.5 21.5 -7.0 8.6 175 289 A K H X S+ 0 0 109 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.892 109.4 51.9 -55.0 -41.0 17.9 -8.3 8.7 176 290 A D H X S+ 0 0 84 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.920 109.4 49.0 -60.6 -46.4 19.2 -11.7 9.8 177 291 A E H < S+ 0 0 49 -4,-2.2 3,-0.3 1,-0.2 4,-0.2 0.955 110.9 50.0 -58.6 -51.7 21.2 -10.1 12.6 178 292 A L H >X S+ 0 0 60 -4,-2.8 3,-1.4 1,-0.2 4,-0.8 0.914 107.7 54.2 -53.7 -47.5 18.3 -8.1 13.8 179 293 A E H 3< S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 120.6 30.2 -56.3 -41.0 16.0 -11.2 13.9 180 294 A Y T 3< S+ 0 0 185 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.068 102.9 84.3-108.7 23.6 18.3 -13.2 16.1 181 295 A M T <4 + 0 0 32 -3,-1.4 -2,-0.1 -4,-0.2 -3,-0.1 0.941 63.0 178.3 -87.8 -63.9 19.9 -10.3 18.0 182 296 A G < - 0 0 33 -4,-0.8 -2,-0.1 2,-0.0 -1,-0.0 -0.413 45.2 -11.9 90.7-171.8 17.4 -9.6 20.8 183 297 A P - 0 0 138 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.317 67.5-168.5 -65.3 146.9 17.7 -7.0 23.6 184 298 A V - 0 0 44 -35,-0.1 2,-0.1 -32,-0.0 -2,-0.0 -0.954 30.4 -88.7-138.3 156.2 21.1 -5.3 24.1 185 299 A R >> - 0 0 181 -2,-0.3 3,-1.5 1,-0.1 4,-1.2 -0.394 36.0-129.2 -62.2 134.4 22.8 -3.0 26.6 186 300 A L H 3> S+ 0 0 120 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.826 107.1 59.4 -55.4 -34.1 22.1 0.6 25.9 187 301 A K H 3> S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.746 99.0 57.3 -70.8 -20.5 25.8 1.4 26.0 188 302 A D H <> S+ 0 0 52 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.886 105.8 49.6 -73.5 -39.0 26.5 -1.1 23.1 189 303 A V H X S+ 0 0 10 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.921 111.4 53.3 -61.9 -41.6 24.1 0.9 20.9 190 304 A E H X S+ 0 0 108 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.901 110.7 41.2 -61.5 -49.1 26.0 4.0 22.0 191 305 A E H X S+ 0 0 109 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.836 111.3 58.1 -72.3 -29.1 29.5 2.8 21.1 192 306 A A H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.958 110.7 42.9 -61.8 -48.0 28.2 1.3 17.8 193 307 A Q H X S+ 0 0 24 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.914 112.9 52.8 -63.8 -41.8 26.9 4.7 16.9 194 308 A Q H X S+ 0 0 88 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.899 107.2 53.4 -59.4 -40.5 30.1 6.4 18.1 195 309 A K H X S+ 0 0 107 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.881 109.9 46.3 -61.3 -42.2 32.0 3.9 15.9 196 310 A I H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.897 110.8 53.4 -68.8 -39.5 30.0 4.9 12.8 197 311 A I H X S+ 0 0 18 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.894 106.4 52.3 -61.6 -41.6 30.4 8.6 13.6 198 312 A N H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.897 106.5 53.9 -62.1 -38.7 34.2 8.1 13.9 199 313 A I H X S+ 0 0 24 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.923 110.9 46.6 -59.5 -44.2 34.1 6.5 10.4 200 314 A I H X S+ 0 0 1 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.924 109.6 52.4 -64.4 -45.7 32.3 9.6 9.1 201 315 A R H X S+ 0 0 56 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.871 113.4 45.5 -59.6 -35.8 34.7 12.0 10.8 202 316 A R H X S+ 0 0 122 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.855 108.5 54.6 -75.7 -37.1 37.6 10.2 9.2 203 317 A L H <>S+ 0 0 5 -4,-2.2 5,-1.9 1,-0.2 -1,-0.2 0.650 111.0 46.5 -72.1 -14.2 35.9 10.1 5.7 204 318 A E H ><5S+ 0 0 42 -4,-1.1 3,-1.7 3,-0.2 -1,-0.2 0.714 104.1 58.5 -96.9 -25.8 35.5 13.8 5.8 205 319 A E H 3<5S+ 0 0 127 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.811 103.8 55.5 -67.8 -28.2 39.0 14.5 7.0 206 320 A A T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.226 119.7-123.3 -84.8 11.9 39.8 12.6 3.7 207 321 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.651 82.0 113.2 54.0 20.7 37.6 15.3 2.1 208 322 A E < + 0 0 99 -5,-1.9 2,-0.4 2,-0.0 -4,-0.2 -0.016 46.0 93.8-112.9 32.9 35.3 12.7 0.7 209 323 A I - 0 0 21 -5,-0.2 2,-0.5 -8,-0.1 -2,-0.0 -0.982 53.6-162.7-127.4 123.1 32.0 13.4 2.6 210 324 A V 0 0 94 -2,-0.4 -79,-1.5 1,-0.2 -76,-0.2 -0.892 360.0 360.0-111.5 129.8 29.3 15.7 1.2 211 325 A I 0 0 127 -2,-0.5 -1,-0.2 -81,-0.2 -77,-0.0 0.925 360.0 360.0 -81.8 360.0 26.4 17.2 3.2