==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION INHIBITOR 11-JUL-12 4G21 . COMPND 2 MOLECULE: VITAMIN D3 RECEPTOR A; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR F.CIESIELSKI,Y.SATO,D.MORAS,N.ROCHEL . 250 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 77.2 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 0.4 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 . 14 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 2 0 0 0 0 1 0 0 1 1 0 0 2 1 0 0 0 0 0 0 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 154 A H 0 0 110 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.9 16.6 52.4 68.6 2 155 A M - 0 0 146 183,-0.0 180,-0.1 184,-0.0 179,-0.0 -0.950 360.0 -78.9-166.7 149.0 15.7 53.8 65.2 3 156 A L - 0 0 33 -2,-0.3 2,-0.1 178,-0.1 3,-0.0 -0.088 47.0-133.9 -51.5 148.0 16.6 53.3 61.5 4 157 A S > - 0 0 50 1,-0.1 4,-2.9 0, 0.0 5,-0.3 -0.442 25.4 -98.6 -99.2 175.6 19.8 55.0 60.3 5 158 A D H > S+ 0 0 131 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.973 124.5 49.0 -57.2 -57.5 20.5 57.1 57.3 6 159 A E H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 114.3 48.4 -51.8 -37.0 22.1 54.3 55.4 7 160 A Q H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 111.7 44.8 -71.4 -49.7 19.0 52.1 56.3 8 161 A M H X S+ 0 0 42 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.913 112.2 56.7 -60.5 -40.3 16.3 54.6 55.3 9 162 A Q H X S+ 0 0 110 -4,-3.1 4,-3.2 -5,-0.3 -2,-0.2 0.948 104.4 50.3 -53.5 -54.9 18.3 55.2 52.2 10 163 A I H X S+ 0 0 14 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.867 111.9 49.2 -53.0 -40.7 18.2 51.5 51.2 11 164 A I H X S+ 0 0 14 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.970 110.9 47.3 -65.5 -53.9 14.4 51.5 51.8 12 165 A N H X S+ 0 0 112 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.920 112.6 52.5 -52.2 -45.1 13.8 54.6 49.7 13 166 A S H X S+ 0 0 55 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.927 114.9 40.0 -55.8 -50.5 16.0 53.1 47.0 14 167 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.975 115.6 48.5 -64.6 -58.5 14.1 49.8 47.0 15 168 A V H X S+ 0 0 15 -4,-3.0 4,-2.2 1,-0.3 -2,-0.2 0.866 113.6 48.1 -51.6 -42.1 10.5 51.3 47.3 16 169 A E H X S+ 0 0 137 -4,-2.4 4,-2.5 -5,-0.4 -1,-0.3 0.904 111.3 51.2 -67.1 -39.3 11.3 53.7 44.5 17 170 A A H < S+ 0 0 3 -4,-1.7 4,-0.3 -5,-0.3 -2,-0.2 0.889 108.0 52.1 -63.9 -40.6 12.7 50.9 42.4 18 171 A H H >< S+ 0 0 2 -4,-2.9 3,-1.6 1,-0.2 4,-0.4 0.939 109.7 49.0 -61.3 -46.1 9.6 48.9 43.0 19 172 A H H >< S+ 0 0 94 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.921 108.2 54.2 -57.6 -45.0 7.4 51.8 41.8 20 173 A K T 3< S+ 0 0 74 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.484 118.4 36.2 -69.5 -2.5 9.6 52.2 38.7 21 174 A T T < S+ 0 0 10 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.2 0.217 105.1 70.5-134.8 13.4 9.0 48.5 37.9 22 175 A Y < - 0 0 20 -3,-1.2 2,-1.1 -4,-0.4 -1,-0.2 -0.818 63.8-155.9-137.9 98.6 5.4 47.9 39.0 23 176 A D > - 0 0 60 -2,-0.4 3,-1.6 1,-0.2 5,-0.1 -0.592 2.3-165.6 -76.3 96.8 2.7 49.5 36.9 24 177 A D T 3 S+ 0 0 104 -2,-1.1 -1,-0.2 1,-0.3 81,-0.1 0.545 86.5 59.9 -60.5 -6.4 -0.3 49.8 39.2 25 178 A S T 3 S- 0 0 69 79,-0.0 -1,-0.3 80,-0.0 -2,-0.1 0.742 91.1-145.7 -92.9 -25.7 -2.5 50.5 36.2 26 179 A Y X + 0 0 27 -3,-1.6 3,-1.1 79,-0.1 4,-0.3 0.781 47.3 146.8 64.1 29.0 -1.8 47.2 34.4 27 180 A S G > + 0 0 62 1,-0.2 3,-1.1 2,-0.1 4,-0.2 0.819 59.2 65.6 -65.3 -29.9 -2.0 49.0 31.1 28 181 A D G > S+ 0 0 63 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.699 80.3 81.5 -67.2 -18.5 0.6 46.8 29.5 29 182 A F G X S+ 0 0 12 -3,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.779 78.5 66.7 -58.6 -29.5 -1.6 43.7 29.8 30 183 A V G < S+ 0 0 116 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 0.724 94.8 61.1 -66.0 -16.8 -3.5 44.7 26.6 31 184 A R G < S+ 0 0 83 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.661 88.1 89.4 -83.1 -17.2 -0.2 44.1 24.8 32 185 A F S < S- 0 0 22 -3,-1.4 13,-0.1 -4,-0.4 14,-0.1 -0.256 99.7 -81.2 -73.6 166.8 -0.1 40.4 25.8 33 186 A R - 0 0 84 11,-0.3 15,-0.1 12,-0.2 -1,-0.1 -0.578 67.2 -90.0 -70.2 128.3 -1.7 37.6 23.7 34 187 A P - 0 0 98 0, 0.0 11,-0.3 0, 0.0 2,-0.2 0.015 40.1-112.4 -41.3 134.2 -5.5 37.7 24.7 35 188 A P - 0 0 31 0, 0.0 2,-0.7 0, 0.0 7,-0.1 -0.540 26.5-152.6 -72.7 134.7 -6.6 35.5 27.6 36 189 A V 0 0 89 5,-0.5 7,-0.1 -2,-0.2 5,-0.0 -0.840 360.0 360.0-115.3 96.2 -8.8 32.7 26.4 37 190 A R 0 0 125 -2,-0.7 -1,-0.2 5,-0.1 4,-0.1 0.977 360.0 360.0 -77.7 360.0 -11.2 31.5 29.1 38 ! 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 39 251 A R 0 0 139 0, 0.0 79,-0.1 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 43.0 -6.1 22.3 26.9 40 252 A L > + 0 0 41 1,-0.1 3,-1.2 2,-0.1 79,-0.1 0.886 360.0 156.3 59.6 45.2 -3.8 25.1 28.2 41 253 A S T 3 S+ 0 0 44 1,-0.3 -5,-0.5 2,-0.1 4,-0.4 0.806 71.0 51.0 -69.7 -30.5 -5.9 27.9 26.7 42 254 A M T 3> S+ 0 0 1 76,-1.7 4,-1.4 73,-0.2 -1,-0.3 0.179 85.2 93.1 -93.0 17.0 -4.5 30.4 29.2 43 255 A L H <> S+ 0 0 15 -3,-1.2 4,-2.7 75,-0.4 5,-0.2 0.912 80.1 51.0 -77.7 -44.0 -0.9 29.6 28.5 44 256 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 -11,-0.3 0.973 115.7 41.2 -57.8 -55.3 -0.2 32.2 25.8 45 257 A H H >> S+ 0 0 1 -4,-0.4 4,-2.7 -11,-0.3 3,-0.7 0.978 119.2 44.5 -56.2 -58.6 -1.5 35.1 27.8 46 258 A L H 3X S+ 0 0 27 -4,-1.4 4,-2.9 1,-0.3 -1,-0.2 0.818 109.4 56.7 -57.7 -32.5 0.1 33.9 31.1 47 259 A A H 3X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -1,-0.3 0.884 111.5 43.9 -66.1 -36.3 3.3 33.1 29.4 48 260 A D H < S+ 0 0 3 -4,-2.5 3,-1.0 2,-0.2 -2,-0.2 0.951 109.4 50.4 -66.0 -47.7 14.0 45.9 40.0 61 273 A A H >< S+ 0 0 0 -4,-2.6 3,-3.6 1,-0.3 6,-0.2 0.945 102.0 58.4 -53.5 -56.9 17.2 43.9 40.7 62 274 A K H 3< S+ 0 0 64 -4,-2.4 6,-0.3 1,-0.3 -1,-0.3 0.760 106.2 53.7 -46.2 -27.1 19.4 46.3 38.8 63 275 A M T << S+ 0 0 85 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.276 79.4 106.0 -95.2 9.5 18.1 48.9 41.2 64 276 A I S X> S- 0 0 2 -3,-3.6 3,-2.3 -47,-0.1 4,-0.8 -0.813 83.5-114.2 -89.7 117.4 18.9 47.1 44.4 65 277 A P T 34 S+ 0 0 55 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.310 103.6 19.7 -53.8 117.7 22.0 48.8 45.9 66 278 A G T >4 S+ 0 0 16 -4,-0.2 3,-0.7 -2,-0.1 105,-0.1 -0.097 101.9 87.5 113.6 -33.9 24.7 46.2 45.7 67 279 A F G X4 S+ 0 0 1 -3,-2.3 3,-1.8 -6,-0.2 -5,-0.1 0.913 82.6 60.8 -63.3 -42.5 23.2 44.0 43.1 68 280 A R G 3< S+ 0 0 51 -4,-0.8 -1,-0.2 -6,-0.3 -6,-0.1 0.733 99.9 56.5 -58.1 -24.7 24.8 46.1 40.3 69 281 A D G < S+ 0 0 119 -3,-0.7 -1,-0.3 2,-0.1 2,-0.2 0.283 85.5 98.7 -95.3 11.6 28.3 45.4 41.5 70 282 A L S < S- 0 0 11 -3,-1.8 2,-0.2 1,-0.1 -4,-0.0 -0.505 87.9 -87.0 -91.1 166.0 28.1 41.6 41.4 71 283 A T >> - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 3,-1.4 -0.529 35.9-118.8 -72.8 137.3 29.5 39.5 38.6 72 284 A A H 3> S+ 0 0 31 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.823 116.9 59.5 -43.7 -34.9 27.0 39.1 35.7 73 285 A E H 3> S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.908 108.3 42.2 -63.2 -43.0 27.3 35.3 36.5 74 286 A D H <> S+ 0 0 0 -3,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.872 113.3 52.1 -72.8 -36.7 26.1 35.9 40.0 75 287 A Q H X S+ 0 0 18 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.960 115.1 42.9 -62.5 -48.3 23.4 38.3 39.0 76 288 A I H X S+ 0 0 11 -4,-3.0 4,-2.7 -5,-0.3 5,-0.4 0.925 113.0 52.4 -61.0 -46.1 22.2 35.7 36.5 77 289 A A H X S+ 0 0 11 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.954 113.3 44.5 -54.5 -51.5 22.6 32.9 39.0 78 290 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.915 115.5 48.3 -60.1 -45.9 20.5 34.9 41.5 79 291 A L H X S+ 0 0 2 -4,-3.0 4,-4.0 -5,-0.2 5,-0.2 0.988 112.1 45.1 -59.7 -64.3 17.9 35.9 38.8 80 292 A K H < S+ 0 0 42 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.880 119.1 44.4 -47.6 -45.3 17.3 32.4 37.3 81 293 A S H < S+ 0 0 20 -4,-2.1 4,-0.2 -5,-0.4 -1,-0.2 0.897 127.1 26.4 -69.1 -42.4 17.1 30.9 40.7 82 294 A S H >X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 3,-1.0 0.711 93.2 93.6 -96.7 -22.8 14.9 33.5 42.4 83 295 A A H 3X S+ 0 0 1 -4,-4.0 4,-2.3 -5,-0.3 5,-0.2 0.857 85.4 51.6 -35.5 -61.9 12.9 35.0 39.5 84 296 A I H 3> S+ 0 0 15 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.854 113.5 44.6 -49.0 -43.2 9.9 32.6 39.9 85 297 A E H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.2 -1,-0.2 0.935 109.5 54.0 -69.3 -46.4 9.6 33.4 43.6 86 298 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.853 110.6 49.8 -55.6 -35.0 10.0 37.2 43.2 87 299 A I H X S+ 0 0 19 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.923 108.9 49.2 -70.4 -44.7 7.2 36.9 40.7 88 300 A M H < S+ 0 0 13 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.826 115.1 48.6 -63.5 -29.5 4.9 35.0 43.0 89 301 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 2,-0.2 4,-0.5 0.967 112.2 43.8 -73.1 -55.9 5.8 37.6 45.6 90 302 A R H >< S+ 0 0 17 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.736 105.5 66.4 -62.9 -22.6 5.1 40.7 43.5 91 303 A S G >< S+ 0 0 27 -4,-1.9 3,-1.2 1,-0.2 -1,-0.3 0.689 86.4 68.8 -73.6 -18.9 1.9 39.0 42.2 92 304 A N G X S+ 0 0 11 -3,-1.6 3,-2.8 -4,-0.4 -1,-0.2 0.825 80.6 76.3 -68.4 -29.9 0.3 39.2 45.6 93 305 A Q G < S+ 0 0 46 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.1 0.469 104.8 37.2 -60.2 0.7 0.1 43.0 45.3 94 306 A S G < S+ 0 0 16 -3,-1.2 9,-1.3 2,-0.0 2,-0.4 0.118 90.4 116.9-137.4 16.9 -2.8 42.3 43.0 95 307 A F E < -A 102 0A 5 -3,-2.8 2,-0.3 7,-0.2 7,-0.2 -0.763 50.6-150.6 -92.8 135.0 -4.4 39.3 44.8 96 308 A S E > -A 101 0A 17 5,-3.4 5,-0.7 -2,-0.4 -2,-0.0 -0.815 14.0-159.9-107.1 146.2 -7.9 39.7 46.1 97 309 A L T 5S+ 0 0 72 -2,-0.3 -1,-0.1 3,-0.2 37,-0.0 0.808 89.4 57.2 -89.8 -35.8 -9.4 38.0 49.1 98 310 A E T 5S+ 0 0 161 1,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.992 125.6 18.8 -57.4 -67.1 -13.1 38.5 48.2 99 311 A D T 5S- 0 0 85 2,-0.1 -1,-0.2 13,-0.0 -2,-0.1 0.428 100.6-132.1 -85.6 -0.4 -13.0 36.8 44.8 100 312 A M T 5 + 0 0 81 1,-0.2 13,-0.5 12,-0.1 2,-0.3 0.939 66.3 106.1 47.0 60.3 -9.7 35.0 45.6 101 313 A S E S- 0 0 23 -2,-1.1 -2,-0.6 -80,-0.1 3,-0.6 -0.609 83.6 -93.8-129.9-170.1 -10.3 44.7 34.5 107 319 A P G > S+ 0 0 114 0, 0.0 3,-0.9 0, 0.0 -2,-0.0 0.692 120.9 59.7 -78.6 -23.5 -12.5 41.5 34.4 108 320 A D G 3 S+ 0 0 79 1,-0.2 -3,-0.0 -4,-0.0 -5,-0.0 0.466 109.9 44.4 -83.2 -3.4 -10.6 40.3 31.4 109 321 A F G < S+ 0 0 18 -3,-0.6 -5,-1.5 2,-0.0 2,-0.8 -0.033 83.6 111.9-127.8 25.8 -7.5 40.4 33.6 110 322 A K E < -B 103 0A 20 -3,-0.9 2,-0.8 -7,-0.2 -7,-0.3 -0.905 55.8-156.0-102.8 108.0 -9.0 38.8 36.7 111 323 A Y E -B 102 0A 7 -9,-2.3 -9,-2.0 -2,-0.8 2,-0.1 -0.773 11.6-170.7 -93.1 107.8 -7.3 35.4 37.0 112 324 A C > - 0 0 53 -2,-0.8 4,-2.2 -11,-0.2 5,-0.3 -0.470 43.4-100.5 -89.5 164.8 -9.5 33.0 39.0 113 325 A I H > S+ 0 0 64 -13,-0.5 4,-0.6 1,-0.2 -1,-0.1 0.801 125.9 60.4 -54.2 -26.2 -8.3 29.6 40.3 114 326 A N H >> S+ 0 0 74 2,-0.2 3,-1.3 1,-0.1 4,-0.9 0.991 107.9 39.0 -63.5 -62.0 -10.3 28.4 37.2 115 327 A D H >4 S+ 0 0 18 1,-0.3 3,-1.2 2,-0.2 -73,-0.2 0.950 107.3 63.5 -50.2 -61.3 -8.2 30.3 34.6 116 328 A V H >< S+ 0 0 19 -4,-2.2 3,-0.7 1,-0.3 5,-0.5 0.668 97.8 60.1 -39.7 -25.1 -4.9 29.7 36.4 117 329 A T H XX S+ 0 0 57 -3,-1.3 3,-1.4 -4,-0.6 4,-0.7 0.956 92.3 62.5 -72.4 -51.3 -5.4 25.9 35.7 118 330 A K T << S+ 0 0 25 -3,-1.2 -76,-1.7 -4,-0.9 -75,-0.4 0.194 84.2 84.0 -62.4 20.3 -5.6 26.2 31.9 119 331 A A T <4 S- 0 0 8 -2,-0.7 -1,-0.3 -3,-0.7 -2,-0.1 0.315 116.7 -94.3-105.6 5.4 -2.0 27.5 32.0 120 332 A G T <4 S+ 0 0 21 -3,-1.4 2,-0.5 1,-0.3 -2,-0.1 0.448 89.9 118.2 97.3 1.3 -0.4 24.0 32.1 121 333 A H < - 0 0 31 -4,-0.7 -2,-0.3 -5,-0.5 -1,-0.3 -0.888 53.7-141.0-110.2 133.0 -0.1 23.8 35.9 122 334 A T >> - 0 0 68 -2,-0.5 4,-1.8 -3,-0.1 3,-0.9 -0.125 31.3-104.7 -75.2 177.5 -1.8 21.2 38.2 123 335 A L H 3> S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 6,-0.2 0.645 110.7 82.2 -81.1 -14.3 -3.3 22.0 41.6 124 336 A E H 34 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.2 86,-0.1 0.759 109.9 27.7 -60.0 -19.8 -0.3 20.4 43.3 125 337 A L H <> S+ 0 0 4 -3,-0.9 4,-2.4 2,-0.1 -2,-0.2 0.821 120.3 52.1-102.4 -56.6 1.2 23.8 42.6 126 338 A L H X S+ 0 0 13 -4,-1.8 4,-3.5 1,-0.2 5,-0.3 0.859 105.3 57.7 -51.4 -42.5 -1.8 26.1 42.5 127 339 A E H X S+ 0 0 145 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.979 111.5 38.3 -56.2 -61.8 -3.0 24.9 45.9 128 340 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.882 117.7 53.8 -57.5 -36.1 0.2 25.7 47.9 129 341 A L H X S+ 0 0 18 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.952 108.3 46.6 -62.6 -52.0 0.5 28.9 45.8 130 342 A V H X S+ 0 0 34 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.850 112.9 51.4 -59.4 -35.2 -3.0 30.2 46.5 131 343 A K H X S+ 0 0 162 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.898 110.5 48.4 -67.5 -42.1 -2.4 29.4 50.2 132 344 A F H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.942 107.6 56.2 -62.6 -47.0 0.9 31.3 50.1 133 345 A Q H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.849 114.6 38.5 -53.9 -37.9 -0.9 34.2 48.4 134 346 A V H X S+ 0 0 45 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.927 111.9 53.0 -81.4 -48.8 -3.4 34.4 51.3 135 347 A G H X S+ 0 0 26 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.867 117.2 43.9 -53.7 -33.8 -1.1 33.7 54.2 136 348 A L H >< S+ 0 0 4 -4,-2.4 3,-0.7 -5,-0.3 5,-0.4 0.923 108.7 54.2 -75.8 -48.6 0.9 36.6 52.8 137 349 A K H >< S+ 0 0 62 -4,-1.9 3,-2.4 -5,-0.3 -2,-0.2 0.930 104.1 58.6 -50.8 -48.3 -2.0 38.9 52.0 138 350 A K H 3< S+ 0 0 75 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.838 88.8 70.6 -51.1 -40.9 -3.0 38.5 55.7 139 351 A L T << S- 0 0 30 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.658 88.3-154.2 -54.6 -12.7 0.3 39.9 56.9 140 352 A K < - 0 0 74 -3,-2.4 -2,-0.1 -4,-0.4 -1,-0.1 0.862 24.0-167.5 35.0 53.9 -1.0 43.2 55.5 141 353 A L - 0 0 35 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.1 -0.004 18.6-108.3 -63.3 170.0 2.7 44.3 55.0 142 354 A H >> - 0 0 63 1,-0.1 4,-2.8 45,-0.0 3,-1.0 -0.693 31.6-107.2 -98.8 156.2 3.9 47.8 54.3 143 355 A E H 3> S+ 0 0 80 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.850 124.0 50.5 -49.1 -36.1 5.2 48.7 50.9 144 356 A E H 3> S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.772 110.3 46.8 -74.9 -29.9 8.7 48.8 52.6 145 357 A E H <> S+ 0 0 0 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.802 117.5 45.2 -80.0 -30.8 8.3 45.4 54.2 146 358 A H H X S+ 0 0 21 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.957 114.3 45.6 -75.3 -53.7 7.1 44.0 50.9 147 359 A V H X S+ 0 0 0 -4,-3.2 4,-1.9 -5,-0.3 -3,-0.2 0.870 116.0 49.3 -57.9 -36.9 9.7 45.7 48.8 148 360 A L H X S+ 0 0 0 -4,-1.3 4,-3.3 -5,-0.2 5,-0.2 0.941 106.3 53.8 -67.9 -49.0 12.3 44.6 51.3 149 361 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.879 109.6 49.7 -54.4 -39.0 11.1 41.0 51.4 150 362 A M H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.950 112.0 46.7 -65.3 -47.7 11.5 40.9 47.6 151 363 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.908 114.1 48.2 -60.1 -44.8 15.0 42.3 47.7 152 364 A I H >< S+ 0 0 0 -4,-3.3 3,-1.0 2,-0.2 -2,-0.2 0.990 111.0 50.2 -58.4 -60.0 16.0 39.9 50.5 153 365 A C H >< S+ 0 0 2 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.887 112.0 48.0 -43.2 -51.6 14.5 36.9 48.6 154 366 A L H 3< S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.791 107.9 55.8 -63.6 -30.8 16.4 37.9 45.5 155 367 A L T << S+ 0 0 0 -4,-1.8 17,-0.4 -3,-1.0 -1,-0.3 -0.022 73.3 136.2 -94.4 31.7 19.7 38.3 47.3 156 368 A S < - 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0 0 84 -3,-3.0 3,-2.8 -4,-0.2 4,-2.6 -0.851 68.2-160.6-105.3 99.7 6.7 19.2 24.9 222 434 A P H 3> S+ 0 0 82 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.836 89.3 63.4 -44.0 -46.3 7.4 21.3 21.8 223 435 A E H 34 S+ 0 0 103 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.678 117.6 31.6 -56.4 -15.6 3.7 22.0 21.2 224 436 A H H X4 S+ 0 0 45 -3,-2.8 3,-2.3 -6,-0.3 4,-0.5 0.784 113.5 55.5-108.0 -47.8 3.8 23.8 24.5 225 437 A S H >< S+ 0 0 25 -4,-2.6 3,-2.0 -7,-0.5 -2,-0.2 0.875 100.9 63.1 -55.8 -35.7 7.3 25.2 24.7 226 438 A M T 3< S+ 0 0 137 -4,-2.7 -1,-0.3 1,-0.3 -3,-0.1 0.706 96.4 60.7 -62.2 -17.5 6.6 26.9 21.4 227 439 A Q T < S+ 0 0 61 -3,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.612 94.3 81.9 -83.5 -15.2 3.9 28.8 23.3 228 440 A L S < S- 0 0 26 -3,-2.0 -180,-0.1 -4,-0.5 3,-0.0 -0.143 83.5-105.7 -81.5-179.1 6.5 30.3 25.7 229 441 A T > - 0 0 15 -182,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.789 23.0-116.5-110.1 153.0 8.7 33.3 25.2 230 442 A P H > S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.935 117.5 52.2 -50.2 -49.2 12.4 33.4 24.5 231 443 A L H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.876 112.3 44.4 -54.9 -43.9 13.0 35.2 27.8 232 444 A V H > S+ 0 0 5 2,-0.2 4,-3.0 -3,-0.2 5,-0.5 0.929 112.5 50.5 -68.3 -47.0 11.0 32.6 29.7 233 445 A L H X S+ 0 0 70 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.893 114.9 46.5 -57.2 -40.3 12.6 29.6 28.0 234 446 A E H < S+ 0 0 30 -4,-2.7 5,-0.4 -5,-0.3 -2,-0.2 0.946 117.9 38.0 -68.5 -51.9 16.0 31.2 28.8 235 447 A V H < S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.902 125.7 37.0 -69.7 -43.2 15.4 32.0 32.4 236 448 A F H < S+ 0 0 37 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.647 99.3 98.2 -83.9 -15.5 13.4 28.9 33.3 237 449 A G S < S- 0 0 22 -4,-0.9 2,-1.0 -5,-0.5 -21,-0.0 -0.453 79.1-126.4 -72.5 146.6 15.5 26.7 31.1 238 450 A S + 0 0 112 -2,-0.1 2,-0.7 -22,-0.0 -1,-0.1 -0.435 53.2 143.2 -94.6 62.2 18.3 24.8 32.8 239 451 A E 0 0 49 -2,-1.0 -2,-0.0 -5,-0.4 0, 0.0 -0.896 360.0 360.0-102.0 116.1 21.3 25.8 30.7 240 452 A V 0 0 143 -2,-0.7 -1,-0.2 2,-0.0 -2,-0.0 0.955 360.0 360.0 -70.6 360.0 24.5 26.1 32.9 241 !* 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 0.0 242 686 B R 0 0 209 0, 0.0 5,-0.1 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0-143.6 24.4 31.5 27.2 243 687 B H > + 0 0 15 3,-0.1 4,-1.9 4,-0.1 5,-0.2 0.951 360.0 173.9 63.7 52.2 21.7 33.8 28.5 244 688 B K H > S+ 0 0 168 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.965 76.5 40.9 -49.9 -60.5 21.8 36.2 25.5 245 689 B I H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.934 108.9 55.5 -56.9 -58.0 18.8 38.1 26.7 246 690 B L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 108.3 52.7 -45.6 -43.4 19.5 38.2 30.5 247 691 B H H X S+ 0 0 81 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.968 110.8 44.2 -58.7 -55.5 22.8 39.8 29.7 248 692 B R H >< S+ 0 0 175 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.944 116.8 46.3 -55.0 -50.4 21.4 42.6 27.5 249 693 B L H 3< S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 112.0 52.6 -61.9 -33.4 18.6 43.3 30.0 250 694 B L H 3< S+ 0 0 12 -4,-2.4 2,-0.4 -5,-0.4 -1,-0.3 0.619 91.3 91.0 -79.9 -13.0 21.1 43.2 32.8 251 695 B Q << 0 0 99 -4,-1.2 -189,-0.0 -3,-1.0 -4,-0.0 -0.708 360.0 360.0 -89.2 136.3 23.4 45.7 31.2 252 696 B E 0 0 200 -2,-0.4 -1,-0.2 -190,-0.0 -2,-0.1 0.193 360.0 360.0 -21.2 360.0 22.9 49.4 32.0