==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 21-JAN-03 1NQ7 . COMPND 2 MOLECULE: NUCLEAR RECEPTOR ROR-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.STEHLIN-GAON,D.WILLMANN,S.SANGLIER,A.VAN DORSSELAER,J.- . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 59.4 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 0 1 3 1 1 0 0 1 0 0 1 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 208 A T > 0 0 100 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 111.4 15.1 -1.2 27.1 2 209 A M H > + 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.811 360.0 61.8 -65.7 -30.0 17.7 1.1 28.6 3 210 A S H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 104.3 49.6 -62.8 -38.6 20.5 -0.6 26.7 4 211 A E H > S+ 0 0 52 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.924 109.2 51.3 -65.6 -44.2 18.9 0.4 23.5 5 212 A I H X S+ 0 0 26 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.930 112.7 45.4 -59.5 -45.8 18.5 4.0 24.6 6 213 A D H X S+ 0 0 93 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.911 111.7 52.2 -65.7 -40.8 22.1 4.3 25.5 7 214 A R H X S+ 0 0 125 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.931 111.9 46.6 -60.3 -44.6 23.2 2.6 22.3 8 215 A I H X S+ 0 0 15 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.929 113.5 48.3 -63.5 -45.4 21.2 5.1 20.3 9 216 A A H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.946 112.4 47.6 -60.9 -49.5 22.5 8.1 22.2 10 217 A Q H X S+ 0 0 94 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.883 110.9 52.5 -60.1 -39.2 26.1 7.0 21.9 11 218 A N H X S+ 0 0 34 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.906 112.2 44.7 -64.0 -42.4 25.7 6.4 18.2 12 219 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 112.5 50.9 -69.7 -41.2 24.3 9.8 17.6 13 220 A I H X S+ 0 0 26 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 111.7 48.8 -62.4 -41.7 26.9 11.6 19.8 14 221 A K H X S+ 0 0 116 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.904 109.8 50.7 -65.3 -41.4 29.7 9.7 17.9 15 222 A S H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.922 109.9 50.9 -62.6 -43.0 28.2 10.7 14.5 16 223 A H H X S+ 0 0 6 -4,-2.4 4,-0.8 1,-0.2 3,-0.5 0.926 107.4 53.6 -58.3 -46.1 28.1 14.3 15.6 17 224 A L H < S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.871 116.7 38.3 -56.7 -39.3 31.7 14.2 16.7 18 225 A E H < S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.584 117.8 46.4 -91.5 -10.3 32.7 12.9 13.3 19 226 A T H < S+ 0 0 2 -4,-1.5 2,-0.3 -3,-0.5 50,-0.3 0.301 71.2 109.7-123.5 14.3 30.5 14.9 11.0 20 227 A C < - 0 0 6 -4,-0.8 3,-0.1 -3,-0.2 42,-0.0 -0.667 68.7-128.8 -84.4 146.7 30.3 18.6 11.8 21 228 A Q S S+ 0 0 50 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.890 102.6 41.3 -59.8 -35.8 32.1 20.8 9.2 22 229 A Y S S- 0 0 48 -3,-0.0 -1,-0.2 4,-0.0 2,-0.1 -0.955 81.1-149.9-118.3 118.7 33.9 22.3 12.2 23 230 A T > - 0 0 58 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.379 32.1-110.1 -77.0 161.8 35.2 20.1 15.0 24 231 A M H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 120.6 59.5 -60.9 -32.4 35.4 21.6 18.5 25 232 A E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 106.6 44.0 -61.2 -47.9 39.1 21.4 18.1 26 233 A E H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 113.1 51.0 -65.4 -41.0 39.0 23.7 15.0 27 234 A L H X S+ 0 0 17 -4,-2.3 4,-1.6 1,-0.2 5,-0.4 0.889 108.7 53.1 -62.9 -37.1 36.6 26.1 16.7 28 235 A H H < S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 107.9 50.1 -64.3 -41.9 38.9 26.2 19.7 29 236 A Q H < S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 107.4 54.0 -65.3 -36.2 41.9 27.2 17.5 30 237 A L H >< S- 0 0 25 -4,-1.9 3,-2.1 -5,-0.1 -1,-0.2 0.848 82.3-168.4 -67.1 -34.9 39.9 30.0 15.8 31 238 A A T 3< - 0 0 75 -4,-1.6 -3,-0.1 1,-0.3 -4,-0.1 0.890 69.2 -56.0 43.8 54.0 39.0 31.6 19.2 32 239 A W T 3 S+ 0 0 117 -5,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.585 81.1 177.8 60.0 14.2 36.4 33.9 17.6 33 240 A Q < - 0 0 100 -3,-2.1 84,-3.0 1,-0.1 2,-0.2 -0.221 17.1-144.9 -50.6 129.4 39.0 35.4 15.2 34 241 A T B -a 117 0A 68 82,-0.2 84,-0.2 1,-0.1 2,-0.1 -0.603 16.7 -98.0-101.1 159.2 37.1 38.0 13.0 35 242 A H - 0 0 9 82,-2.5 84,-0.1 -2,-0.2 -1,-0.1 -0.430 48.2-110.6 -67.7 147.7 37.4 39.0 9.4 36 243 A T > - 0 0 59 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.255 25.4-105.2 -76.2 168.1 39.5 42.2 8.9 37 244 A Y H > S+ 0 0 199 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.857 123.8 53.4 -61.6 -34.3 38.1 45.5 7.8 38 245 A E H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 110.2 45.9 -66.0 -44.0 39.6 45.0 4.4 39 246 A E H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 112.3 51.0 -67.1 -38.5 38.0 41.6 4.1 40 247 A I H X S+ 0 0 22 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.918 109.0 51.3 -64.3 -43.2 34.6 42.9 5.3 41 248 A K H X S+ 0 0 130 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.892 107.6 53.5 -60.5 -40.5 34.9 45.7 2.7 42 249 A A H X S+ 0 0 50 -4,-1.9 4,-0.6 1,-0.2 3,-0.2 0.908 108.3 49.3 -61.7 -42.8 35.5 43.1 0.0 43 250 A Y H >< S+ 0 0 22 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.893 110.9 50.1 -63.6 -39.0 32.4 41.2 1.0 44 251 A Q H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 107.1 55.8 -71.6 -22.2 30.4 44.4 0.9 45 252 A S H 3< S+ 0 0 87 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.553 85.4 104.9 -86.3 -10.0 31.8 45.2 -2.6 46 253 A K S << S- 0 0 83 -3,-0.8 2,-0.1 -4,-0.6 -3,-0.0 -0.370 79.0-109.2 -70.2 150.8 30.6 41.9 -4.0 47 254 A S > - 0 0 54 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.362 30.0-109.7 -73.5 162.0 27.6 41.9 -6.3 48 255 A R H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 121.2 49.7 -59.8 -41.7 24.4 40.4 -4.9 49 256 A E H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 110.8 49.7 -63.7 -42.9 24.8 37.5 -7.4 50 257 A A H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.923 113.1 44.2 -64.5 -45.8 28.4 36.9 -6.4 51 258 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.878 110.9 54.8 -69.3 -35.4 27.8 36.9 -2.6 52 259 A W H X S+ 0 0 7 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.905 106.7 52.1 -62.6 -39.5 24.8 34.7 -3.0 53 260 A Q H X S+ 0 0 47 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.934 110.2 47.9 -61.5 -46.2 26.9 32.2 -4.9 54 261 A Q H X S+ 0 0 33 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.887 112.9 48.3 -61.8 -40.6 29.5 32.2 -2.1 55 262 A C H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.902 108.3 53.9 -67.8 -39.5 26.8 31.7 0.5 56 263 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.884 108.3 51.2 -62.1 -37.1 25.2 28.9 -1.4 57 264 A I H X S+ 0 0 92 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.922 111.3 45.7 -67.3 -43.7 28.6 27.1 -1.5 58 265 A Q H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 114.6 48.7 -65.8 -40.0 29.1 27.4 2.3 59 266 A I H X S+ 0 0 41 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.916 111.7 49.0 -65.9 -41.9 25.5 26.3 2.9 60 267 A T H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.897 107.8 55.0 -64.0 -40.3 25.9 23.3 0.6 61 268 A H H X S+ 0 0 70 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.946 111.3 44.5 -57.5 -48.2 29.2 22.4 2.3 62 269 A A H X S+ 0 0 17 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.894 110.8 54.2 -64.2 -41.0 27.4 22.3 5.6 63 270 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.900 102.5 57.7 -60.7 -40.0 24.5 20.3 4.2 64 271 A Q H X S+ 0 0 85 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.892 105.5 50.7 -59.2 -37.8 26.8 17.7 2.8 65 272 A Y H X S+ 0 0 80 -4,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.816 105.5 55.7 -69.6 -29.1 28.1 17.1 6.4 66 273 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.878 104.7 53.4 -70.1 -35.1 24.5 16.8 7.6 67 274 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.932 109.8 48.0 -63.1 -42.3 24.0 14.0 5.0 68 275 A E H X S+ 0 0 58 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.883 108.4 55.2 -63.6 -38.0 27.1 12.3 6.5 69 276 A F H >< S+ 0 0 0 -4,-2.0 3,-0.7 -50,-0.3 4,-0.3 0.950 109.9 45.7 -57.9 -51.2 25.6 12.8 10.0 70 277 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 7,-0.3 0.890 106.4 58.8 -61.5 -42.2 22.4 11.0 9.0 71 278 A K H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.756 105.1 51.3 -60.6 -25.5 24.2 8.1 7.3 72 279 A R T << S+ 0 0 105 -4,-1.1 2,-0.8 -3,-0.7 -1,-0.3 0.409 86.3 93.4 -94.3 2.3 26.0 7.3 10.5 73 280 A I X> - 0 0 4 -3,-1.7 4,-1.8 -4,-0.3 3,-0.6 -0.862 66.7-153.4 -97.0 111.4 22.9 7.1 12.7 74 281 A T H 3> S+ 0 0 66 -2,-0.8 4,-0.8 1,-0.2 -1,-0.2 0.878 91.9 50.8 -51.4 -46.1 21.9 3.5 12.7 75 282 A G H 34 S+ 0 0 17 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.816 106.9 54.9 -64.9 -31.6 18.2 4.2 13.3 76 283 A F H X4 S+ 0 0 0 -3,-0.6 3,-1.3 1,-0.2 -1,-0.2 0.929 107.2 49.0 -67.6 -43.6 18.0 6.7 10.4 77 284 A M H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 -7,-0.3 -2,-0.2 0.639 101.7 64.8 -72.4 -11.7 19.4 4.2 7.9 78 285 A E T 3< S+ 0 0 141 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.634 85.4 92.0 -81.9 -16.6 16.8 1.6 9.1 79 286 A L S < S- 0 0 15 -3,-1.3 5,-0.1 -4,-0.5 -3,-0.0 -0.419 97.0 -87.8 -74.0 154.0 14.0 3.9 7.8 80 287 A C > - 0 0 40 1,-0.1 4,-2.0 -2,-0.1 3,-0.5 -0.310 37.4-116.4 -61.6 148.4 12.8 3.3 4.3 81 288 A Q H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 112.8 60.9 -56.0 -36.6 14.9 5.2 1.7 82 289 A N H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 110.2 40.7 -56.7 -46.8 11.8 7.2 0.6 83 290 A D H > S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.812 109.3 59.3 -73.5 -29.7 11.5 8.6 4.1 84 291 A Q H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.945 109.2 45.6 -61.1 -46.2 15.3 9.0 4.5 85 292 A I H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.916 112.7 49.8 -62.6 -44.9 15.2 11.3 1.4 86 293 A L H X S+ 0 0 31 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.911 110.1 50.2 -62.7 -43.1 12.2 13.3 2.7 87 294 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.904 114.8 44.2 -63.2 -40.7 13.7 13.9 6.1 88 295 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.933 113.7 48.7 -71.3 -44.4 17.0 15.1 4.6 89 296 A K H < S+ 0 0 71 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.932 121.0 36.4 -61.2 -43.3 15.3 17.3 1.9 90 297 A S H < S+ 0 0 51 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.740 130.3 28.5 -81.8 -23.9 13.0 18.9 4.5 91 298 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 5,-0.2 0.540 86.3 93.3-119.6 -4.1 15.4 19.1 7.4 92 299 A C H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 5,-0.1 0.917 93.0 46.4 -56.7 -45.0 19.0 19.4 6.3 93 300 A L H > S+ 0 0 20 -4,-0.3 4,-2.4 -5,-0.3 -1,-0.2 0.840 108.7 56.7 -67.2 -31.5 19.0 23.2 6.5 94 301 A E H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 108.0 47.3 -65.5 -38.5 17.3 23.0 9.9 95 302 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.905 109.5 54.0 -68.5 -39.4 20.2 20.9 11.2 96 303 A V H X S+ 0 0 21 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.913 106.9 52.3 -59.3 -42.4 22.7 23.3 9.6 97 304 A L H X S+ 0 0 11 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.912 109.8 47.5 -61.5 -42.2 21.0 26.1 11.5 98 305 A V H >< S+ 0 0 1 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.942 114.1 47.9 -63.4 -44.4 21.3 24.3 14.8 99 306 A R H >X S+ 0 0 20 -4,-2.7 3,-1.9 1,-0.2 4,-0.6 0.847 99.4 67.2 -64.2 -34.9 25.0 23.5 14.0 100 307 A M H >< S+ 0 0 43 -4,-2.6 3,-1.3 1,-0.3 12,-0.3 0.820 88.8 67.8 -55.4 -31.5 25.6 27.1 13.1 101 308 A C G X< S+ 0 0 11 -3,-0.9 3,-1.0 -4,-0.9 -1,-0.3 0.773 91.2 60.3 -61.9 -25.5 25.1 28.0 16.7 102 309 A R G <4 S+ 0 0 35 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.769 108.4 45.7 -70.0 -27.0 28.3 26.2 17.6 103 310 A A G << S+ 0 0 10 -3,-1.3 9,-2.4 -4,-0.6 2,-0.4 -0.202 94.2 102.3-110.0 38.2 30.1 28.6 15.3 104 311 A F E < -B 111 0A 8 -3,-1.0 7,-0.2 7,-0.2 13,-0.0 -0.981 59.8-147.3-126.6 134.1 28.4 31.8 16.6 105 312 A N E >>> -B 110 0A 4 5,-3.0 5,-1.5 -2,-0.4 4,-1.0 -0.888 9.6-169.2-101.5 106.6 29.9 34.3 19.0 106 313 A P T 345S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.579 79.0 66.7 -72.1 -9.9 27.0 35.8 21.1 107 314 A L T 345S+ 0 0 140 1,-0.1 -2,-0.0 3,-0.1 33,-0.0 0.851 121.4 13.4 -81.4 -34.0 29.2 38.5 22.6 108 315 A N T <45S- 0 0 73 -3,-0.5 -1,-0.1 2,-0.1 -3,-0.0 0.283 103.5-117.2-122.1 8.1 29.7 40.4 19.3 109 316 A N T <5 + 0 0 73 -4,-1.0 11,-0.5 1,-0.2 2,-0.3 0.943 62.9 143.4 55.6 56.2 27.0 38.7 17.2 110 317 A T E < -BC 105 119A 10 -5,-1.5 -5,-3.0 9,-0.2 2,-0.3 -0.910 34.5-153.3-124.9 153.4 29.3 37.2 14.6 111 318 A V E -BC 104 118A 10 7,-2.5 7,-2.2 -2,-0.3 2,-0.5 -0.929 29.0-102.1-126.6 149.8 29.2 33.9 12.8 112 319 A L E + C 0 117A 19 -9,-2.4 2,-0.4 -2,-0.3 5,-0.3 -0.578 49.7 164.4 -72.1 120.0 31.9 31.7 11.2 113 320 A F E > - 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0 0 30 -4,-2.4 -1,-0.1 1,-0.1 5,-0.1 -0.975 46.0-160.9-134.5 136.0 21.5 22.1 33.6 194 401 A L S S+ 0 0 175 -2,-0.4 2,-1.0 1,-0.1 -1,-0.1 0.852 80.0 86.3 -71.1 -36.5 19.5 23.0 36.7 195 402 A D > - 0 0 61 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.555 61.4-167.3 -71.8 101.0 16.5 23.9 34.7 196 403 A D T 3 S+ 0 0 137 -2,-1.0 4,-0.2 1,-0.3 3,-0.2 0.430 85.6 68.2 -68.3 3.0 14.6 20.6 34.2 197 404 A E T 3> + 0 0 120 1,-0.1 4,-2.5 2,-0.1 -1,-0.3 0.344 65.3 103.1-102.0 2.2 12.7 22.6 31.6 198 405 A T H <> S+ 0 0 4 -3,-2.1 4,-2.2 1,-0.2 5,-0.1 0.888 81.0 51.2 -52.6 -43.3 15.6 22.9 29.2 199 406 A L H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.925 109.1 50.9 -61.3 -44.0 14.2 20.2 27.0 200 407 A A H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.906 109.1 51.2 -59.6 -42.1 10.9 22.0 26.9 201 408 A K H X S+ 0 0 93 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.891 111.5 48.4 -62.6 -39.7 12.6 25.2 25.9 202 409 A L H >< S+ 0 0 0 -4,-2.2 3,-1.5 -5,-0.2 4,-0.4 0.940 110.0 49.1 -66.4 -48.6 14.4 23.4 23.1 203 410 A I H >< S+ 0 0 69 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.861 104.8 61.2 -60.6 -33.0 11.3 21.7 21.7 204 411 A A H 3< S+ 0 0 69 -4,-2.0 4,-0.3 1,-0.3 -1,-0.3 0.702 97.2 59.9 -67.0 -18.9 9.6 25.1 21.8 205 412 A K T XX S+ 0 0 25 -3,-1.5 4,-2.3 -4,-0.5 3,-0.5 0.596 77.2 92.9 -85.1 -11.2 12.2 26.4 19.3 206 413 A I H <> S+ 0 0 42 -3,-1.3 4,-2.0 -4,-0.4 5,-0.2 0.894 85.2 49.0 -49.6 -47.9 11.3 23.9 16.6 207 414 A P H 3> S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.863 110.1 52.3 -63.1 -33.2 8.8 26.2 14.9 208 415 A T H <> S+ 0 0 70 -3,-0.5 4,-2.3 -4,-0.3 -2,-0.2 0.899 106.6 52.8 -68.2 -41.7 11.4 29.0 14.9 209 416 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.940 111.6 46.2 -59.0 -47.0 14.0 26.9 13.3 210 417 A T H X S+ 0 0 36 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.889 109.6 55.3 -63.5 -38.5 11.5 26.0 10.5 211 418 A A H X S+ 0 0 46 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.899 107.4 48.7 -62.0 -41.9 10.6 29.6 10.1 212 419 A V H X S+ 0 0 9 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.930 113.0 47.5 -64.6 -44.5 14.2 30.7 9.6 213 420 A C H X S+ 0 0 16 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.858 109.5 52.7 -67.5 -33.0 14.7 28.0 7.0 214 421 A N H X S+ 0 0 95 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.857 105.7 55.2 -70.0 -31.4 11.5 28.9 5.2 215 422 A L H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.881 103.1 55.9 -66.7 -36.3 12.6 32.5 5.0 216 423 A H H X S+ 0 0 9 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.926 107.6 49.2 -59.7 -42.5 15.8 31.3 3.3 217 424 A G H X S+ 0 0 23 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.902 109.3 52.1 -63.3 -40.6 13.6 29.6 0.7 218 425 A E H X S+ 0 0 115 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.917 110.3 47.5 -61.9 -45.5 11.6 32.8 0.3 219 426 A K H X S+ 0 0 31 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 110.8 52.1 -63.2 -40.8 14.7 34.9 -0.3 220 427 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.883 105.0 56.0 -63.6 -38.5 16.0 32.4 -2.8 221 428 A Q H X S+ 0 0 101 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.910 110.0 44.5 -60.9 -42.9 12.8 32.5 -4.7 222 429 A V H X S+ 0 0 72 -4,-1.7 4,-1.7 2,-0.2 3,-0.2 0.904 111.7 53.0 -68.1 -41.1 13.0 36.2 -5.2 223 430 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.895 106.3 54.0 -59.9 -39.5 16.7 35.9 -6.1 224 431 A K H < S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.832 103.9 56.6 -64.1 -32.3 15.7 33.3 -8.7 225 432 A Q H < S+ 0 0 155 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.924 116.2 34.7 -63.7 -45.7 13.3 35.9 -10.2 226 433 A S H < S+ 0 0 76 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.793 135.4 22.9 -80.2 -31.5 16.1 38.4 -10.7 227 434 A H X + 0 0 47 -4,-3.0 4,-1.4 -5,-0.2 3,-0.4 -0.416 63.4 153.2-137.2 63.9 18.9 36.0 -11.6 228 435 A P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.838 76.6 57.1 -60.3 -33.9 17.5 32.6 -12.9 229 436 A D H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.868 102.6 54.7 -66.6 -36.6 20.6 31.9 -14.9 230 437 A I H >>S+ 0 0 29 -3,-0.4 4,-2.3 2,-0.2 5,-1.6 0.935 110.0 45.7 -62.6 -47.5 22.9 32.2 -11.8 231 438 A V H <5S+ 0 0 1 -4,-1.4 4,-0.3 3,-0.2 -2,-0.2 0.920 117.1 43.1 -63.0 -46.2 20.9 29.5 -9.9 232 439 A N H <5S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.805 130.4 21.7 -73.1 -30.8 20.6 27.1 -12.8 233 440 A T H <5S+ 0 0 94 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.499 131.4 32.2-117.5 -5.0 24.2 27.3 -14.0 234 441 A L T <5S+ 0 0 87 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.719 92.3 86.1-120.9 -36.1 26.3 28.7 -11.1 235 442 A F S - 0 0 22 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.331 38.6-124.4 -59.2 137.2 25.9 24.0 -6.5 237 444 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.855 110.2 51.1 -52.6 -39.1 23.9 21.3 -8.1 238 445 A L H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.881 107.4 53.4 -67.5 -36.9 22.7 19.9 -4.7 239 446 A Y H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 5,-0.3 0.903 110.8 46.7 -64.3 -40.2 21.6 23.3 -3.6 240 447 A K H X S+ 0 0 85 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.920 112.1 51.3 -66.5 -43.0 19.5 23.7 -6.7 241 448 A E H < S+ 0 0 42 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.896 114.9 41.5 -60.9 -43.0 18.1 20.1 -6.2 242 449 A L H < S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.837 135.0 16.1 -75.9 -35.5 17.1 20.8 -2.6 243 450 A F H < 0 0 33 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.415 360.0 360.0-120.3 -1.2 15.7 24.3 -3.0 244 451 A N < 0 0 99 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 0.031 360.0 360.0 32.5 360.0 15.2 24.6 -6.8 245 !* 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 0.0 246 687 B H > 0 0 101 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 35.9 16.8 13.5 -5.9 247 688 B K H > + 0 0 181 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.924 360.0 38.9 -54.1 -51.9 19.6 12.1 -8.0 248 689 B I H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 116.5 49.0 -68.4 -47.0 22.4 13.9 -6.1 249 690 B L H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 112.4 51.2 -58.7 -41.8 21.0 13.4 -2.6 250 691 B H H X S+ 0 0 59 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.905 109.4 49.7 -61.4 -43.6 20.4 9.7 -3.6 251 692 B R H X S+ 0 0 167 -4,-2.1 4,-1.1 -5,-0.2 3,-0.2 0.918 111.7 47.5 -63.3 -43.5 24.1 9.4 -4.7 252 693 B L H < S+ 0 0 38 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.879 107.2 56.7 -65.7 -38.0 25.4 10.9 -1.5 253 694 B L H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.838 116.0 37.2 -61.3 -33.0 23.2 8.7 0.7 254 695 B Q H < 0 0 135 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.536 360.0 360.0 -98.1 -8.1 24.7 5.7 -0.9 255 696 B E < 0 0 147 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.1 0.921 360.0 360.0 -62.2 360.0 28.3 6.9 -1.3