==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 25-SEP-10 3OZJ . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR RXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.ZHANG,L.LI,L.CHEN,L.HU,X.SHEN . 451 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 72.3 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 . 8 1.8 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 . 2 0.4 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 . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 0 2 6 1 1 3 2 1 2 0 0 0 0 0 0 0 2 2 2 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 227 A N 0 0 82 0, 0.0 6,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 35.7 -6.0 37.5 4.2 2 228 A E + 0 0 178 2,-0.1 0, 0.0 3,-0.1 0, 0.0 0.640 360.0 45.2-116.4 -47.2 -7.5 36.4 0.9 3 229 A D S S+ 0 0 115 1,-0.3 150,-0.0 150,-0.0 0, 0.0 0.952 137.2 12.0 -61.8 -49.1 -4.5 35.5 -1.2 4 230 A M S S- 0 0 2 149,-0.2 -1,-0.3 42,-0.0 2,-0.2 -0.910 87.7-166.8-131.9 108.3 -3.2 33.6 1.8 5 231 A P > - 0 0 15 0, 0.0 4,-1.0 0, 0.0 -3,-0.1 -0.606 30.4-143.1-102.7 149.2 -5.6 33.0 4.6 6 232 A V H > S+ 0 0 13 -2,-0.2 4,-1.3 151,-0.2 5,-0.2 0.885 97.9 71.3 -67.1 -34.5 -5.3 31.8 8.2 7 233 A E H >> S+ 0 0 117 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.873 107.5 32.9 -52.0 -52.4 -8.6 30.0 7.9 8 234 A R H 3> S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.801 108.0 68.3 -67.0 -34.6 -7.0 27.3 5.6 9 235 A I H 3< S+ 0 0 0 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.684 103.3 49.3 -64.2 -15.2 -3.7 27.5 7.4 10 236 A L H XX S+ 0 0 52 -4,-1.3 4,-1.7 -3,-0.5 3,-1.2 0.785 105.3 53.6 -86.6 -35.2 -5.8 26.1 10.1 11 237 A E H 3X S+ 0 0 111 -4,-0.7 4,-2.1 1,-0.3 3,-0.3 0.923 102.7 58.8 -63.6 -39.5 -7.3 23.3 8.0 12 238 A A H 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.3 31,-0.1 0.409 110.6 45.8 -74.6 4.4 -3.9 22.2 6.9 13 239 A E H <> S+ 0 0 14 -3,-1.2 4,-0.7 -5,-0.2 -1,-0.3 0.710 109.7 48.7-112.0 -34.5 -3.3 21.7 10.5 14 240 A L H < S+ 0 0 90 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.1 0.706 108.5 56.6 -68.3 -36.4 -6.4 19.9 11.6 15 241 A A T < S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -3,-0.1 0.795 111.2 38.1 -69.8 -36.3 -6.2 17.4 8.8 16 242 A V T 4 S+ 0 0 27 -5,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.622 82.1 128.3 -93.8 -13.2 -2.7 16.1 9.5 17 243 A E < 0 0 81 -4,-0.7 -4,-0.0 1,-0.2 -3,-0.0 -0.264 360.0 360.0 -54.2 102.8 -3.0 16.1 13.3 18 244 A P 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.534 360.0 360.0 2.7 360.0 -2.0 12.7 14.5 19 ! 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 20 262 A N 0 0 182 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.2 12.3 0.3 22.8 21 263 A D >> - 0 0 77 1,-0.1 3,-1.7 2,-0.0 4,-0.5 -0.908 360.0-134.7 -89.9 119.0 15.4 2.5 23.3 22 264 A P H 3> S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.645 99.1 73.0 -58.9 -25.8 13.6 5.8 22.8 23 265 A V H 34 S+ 0 0 15 1,-0.2 4,-0.2 2,-0.2 72,-0.0 0.516 106.6 44.8 -68.0 -1.1 16.2 7.3 20.5 24 266 A T H <> S+ 0 0 19 -3,-1.7 4,-2.2 2,-0.1 -1,-0.2 0.746 106.6 54.7-104.6 -43.3 14.5 4.8 18.3 25 267 A N H X S+ 0 0 31 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.780 111.5 47.2 -59.9 -37.2 10.9 5.5 19.2 26 268 A I H X S+ 0 0 59 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.865 111.5 51.2 -67.7 -45.7 11.5 9.1 18.4 27 269 A C H > S+ 0 0 9 -5,-0.3 4,-0.5 2,-0.2 179,-0.3 0.694 111.4 46.6 -66.2 -34.0 13.2 8.2 15.1 28 270 A Q H >X S+ 0 0 103 -4,-2.2 4,-2.3 2,-0.2 3,-1.8 0.936 112.8 48.6 -67.6 -49.9 10.4 6.0 14.0 29 271 A A H 3X S+ 0 0 3 -4,-1.5 4,-1.2 1,-0.3 -2,-0.2 0.888 110.6 55.8 -55.6 -40.3 7.9 8.6 15.0 30 272 A A H 3X S+ 0 0 26 -4,-2.5 4,-0.6 1,-0.2 -1,-0.3 0.603 107.5 44.8 -62.6 -32.7 10.1 10.8 13.0 31 273 A D H XX S+ 0 0 17 -3,-1.8 4,-0.6 -4,-0.5 3,-0.5 0.848 110.2 54.7 -74.3 -43.7 9.9 8.7 9.8 32 274 A K H 3X S+ 0 0 82 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.787 107.6 53.7 -61.6 -34.3 6.2 8.3 10.1 33 275 A Q H 3X S+ 0 0 22 -4,-1.2 4,-1.6 -5,-0.3 -1,-0.2 0.768 90.5 68.6 -71.9 -34.6 6.0 12.0 10.2 34 276 A L H X S+ 0 0 0 -4,-1.7 3,-2.8 -3,-0.2 4,-0.7 0.973 107.0 52.9 -65.0 -51.9 0.5 19.2 5.1 41 283 A A H 3< S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.3 7,-0.2 0.729 102.2 61.7 -59.7 -21.0 2.7 21.0 2.6 42 284 A K T 3< S+ 0 0 52 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.670 108.7 43.5 -75.7 -16.6 0.1 20.1 -0.0 43 285 A R T <4 S+ 0 0 106 -3,-2.8 -31,-0.2 -4,-0.3 -2,-0.2 0.383 84.0 94.6-112.2 3.0 -2.4 22.1 1.9 44 286 A I S >< S- 0 0 1 -4,-0.7 3,-1.4 -3,-0.3 4,-0.2 -0.855 96.7-101.3 -95.6 108.6 -0.4 25.1 2.8 45 287 A P T 3 S+ 0 0 14 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.209 91.7 6.9 -53.2 134.6 -1.6 27.1 -0.2 46 288 A H T 3> S+ 0 0 56 -4,-0.2 4,-0.7 4,-0.0 -4,-0.1 0.379 90.0 110.4 83.0 -0.3 0.5 27.7 -3.3 47 289 A F T X4 S+ 0 0 0 -3,-1.4 3,-1.2 -6,-0.2 -5,-0.1 0.981 82.8 45.9 -62.3 -47.6 3.2 25.3 -2.2 48 290 A S T 34 S+ 0 0 56 1,-0.3 -1,-0.1 -7,-0.2 7,-0.1 0.932 97.7 68.3 -59.6 -45.6 2.1 23.0 -5.0 49 291 A E T 34 S+ 0 0 151 2,-0.0 -1,-0.3 3,-0.0 -2,-0.2 0.764 88.8 96.7 -50.4 -24.0 1.8 25.6 -7.7 50 292 A L S << S- 0 0 14 -3,-1.2 2,-0.2 -4,-0.7 5,-0.0 0.009 96.1 -83.0 -64.8 161.8 5.5 25.8 -7.4 51 293 A P >> - 0 0 62 0, 0.0 3,-1.6 0, 0.0 4,-1.2 -0.512 38.0-130.6 -63.9 135.4 8.0 24.1 -9.5 52 294 A L H 3> S+ 0 0 65 1,-0.3 4,-0.9 2,-0.2 -2,-0.1 0.768 106.6 67.3 -62.5 -27.3 8.3 20.6 -8.1 53 295 A D H 3> S+ 0 0 128 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.747 104.5 45.1 -62.4 -32.8 12.1 21.1 -8.2 54 296 A D H <> S+ 0 0 4 -3,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.785 101.6 62.6 -74.6 -38.1 11.6 23.7 -5.5 55 297 A Q H X S+ 0 0 8 -4,-1.2 4,-1.0 1,-0.2 -2,-0.2 0.689 105.7 51.7 -62.3 -29.5 9.1 21.7 -3.3 56 298 A V H X S+ 0 0 10 -4,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.872 109.8 44.8 -70.9 -48.7 12.0 19.3 -2.9 57 299 A I H X S+ 0 0 35 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.887 112.4 52.6 -63.9 -43.0 14.6 21.8 -1.8 58 300 A L H X S+ 0 0 4 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.935 113.7 42.6 -62.0 -47.7 12.3 23.5 0.5 59 301 A L H X S+ 0 0 2 -4,-1.0 4,-1.0 2,-0.2 3,-0.2 0.845 110.6 53.0 -66.9 -39.7 11.3 20.3 2.3 60 302 A R H < S+ 0 0 37 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.865 114.9 44.6 -62.3 -36.7 14.8 18.8 2.5 61 303 A A H < S+ 0 0 53 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.646 120.7 36.6 -86.0 -15.5 16.0 21.9 4.2 62 304 A G H X S+ 0 0 5 -4,-0.8 4,-1.9 -3,-0.2 -2,-0.2 0.329 82.0 96.9-121.0 8.4 13.2 22.4 6.5 63 305 A W H X S+ 0 0 16 -4,-1.0 4,-1.7 -3,-0.2 5,-0.2 0.839 82.3 57.5 -64.1 -37.9 12.1 19.1 7.8 64 306 A N H > S+ 0 0 16 -4,-0.2 4,-1.9 1,-0.2 3,-0.1 0.974 115.1 33.9 -59.3 -60.4 14.1 19.3 10.9 65 307 A E H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.760 115.0 56.0 -63.5 -40.1 12.5 22.5 12.2 66 308 A L H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.878 114.0 42.0 -61.0 -43.2 8.9 21.9 10.8 67 309 A L H X S+ 0 0 27 -4,-1.7 4,-1.5 2,-0.2 3,-0.3 0.895 112.0 51.5 -67.9 -46.2 8.8 18.6 12.7 68 310 A I H X S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.906 111.7 49.6 -60.3 -43.5 10.4 19.7 15.9 69 311 A A H X S+ 0 0 7 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.744 106.4 55.5 -66.3 -32.7 7.9 22.5 16.0 70 312 A S H X S+ 0 0 23 -4,-0.7 4,-0.5 -3,-0.3 -1,-0.2 0.833 112.7 40.2 -71.0 -40.1 4.9 20.3 15.4 71 313 A F H >X S+ 0 0 46 -4,-1.5 4,-1.2 2,-0.2 3,-1.1 0.918 108.7 58.7 -69.9 -45.7 5.6 18.0 18.4 72 314 A S H 3< S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.838 106.0 51.5 -55.1 -35.5 6.6 20.7 20.8 73 315 A H H >< S+ 0 0 22 -4,-0.8 3,-0.9 1,-0.2 -1,-0.3 0.853 107.0 54.3 -67.3 -34.2 3.2 22.1 20.2 74 316 A R H << S+ 0 0 45 -3,-1.1 3,-0.5 -4,-0.5 -2,-0.2 0.711 100.4 61.2 -66.9 -27.9 1.7 18.8 21.0 75 317 A S T 3< + 0 0 0 -4,-1.2 6,-0.3 -3,-0.3 -1,-0.2 0.010 64.0 107.8-101.5 21.2 3.5 18.5 24.3 76 318 A I S < S+ 0 0 75 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.889 85.0 47.7 -63.7 -42.2 2.0 21.5 25.9 77 319 A A S S+ 0 0 76 -3,-0.5 -1,-0.2 6,-0.0 -2,-0.1 0.856 93.6 85.2 -65.2 -41.7 -0.1 19.1 28.1 78 320 A V S S- 0 0 19 -4,-0.2 3,-0.2 1,-0.1 5,-0.1 -0.422 73.1-145.0 -69.7 136.0 2.7 16.8 29.1 79 321 A K S S- 0 0 130 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.975 80.6 -3.2 -70.7 -58.4 4.5 18.1 32.0 80 322 A D S S+ 0 0 81 2,-0.1 12,-2.0 0, 0.0 2,-0.3 -0.429 123.6 47.5-134.2 48.5 8.1 17.2 31.5 81 323 A G E S-A 91 0A 5 -6,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.934 79.4 -90.7-172.7 169.3 8.2 15.2 28.3 82 324 A I E -A 90 0A 3 8,-1.5 8,-1.6 -2,-0.3 2,-0.7 -0.500 19.0-129.6 -96.0 162.9 7.0 15.2 24.7 83 325 A L E -A 89 0A 41 -12,-0.4 6,-0.2 6,-0.2 -9,-0.1 -0.746 29.0-163.5-112.9 91.1 4.0 13.9 22.9 84 326 A L > - 0 0 9 4,-0.9 3,-1.2 -2,-0.7 -58,-0.1 -0.235 28.5-117.2 -65.2 150.9 5.2 11.9 19.8 85 327 A A T 3 S+ 0 0 18 1,-0.2 -1,-0.1 2,-0.1 -55,-0.0 0.724 107.6 71.6 -67.7 -20.1 2.8 11.1 17.0 86 328 A T T 3 S- 0 0 59 -61,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.457 115.7-106.6 -73.1 -5.6 3.1 7.4 17.6 87 329 A G S < S+ 0 0 45 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 -0.171 79.5 119.7 103.6 -30.5 1.2 7.7 20.9 88 330 A L - 0 0 92 -63,-0.1 -4,-0.9 -5,-0.1 2,-0.4 -0.325 55.9-136.0 -69.5 148.9 3.8 7.3 23.4 89 331 A H E -A 83 0A 125 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.809 17.3-154.4 -99.8 135.3 4.7 9.8 26.0 90 332 A V E -A 82 0A 12 -8,-1.6 -8,-1.5 -2,-0.4 2,-0.1 -0.893 4.8-151.2-124.4 104.9 8.4 10.4 26.5 91 333 A H E >> -A 81 0A 93 -2,-0.5 4,-1.7 -10,-0.2 3,-0.7 -0.324 25.3-115.0 -74.3 151.6 9.8 11.8 29.8 92 334 A R H 3> S+ 0 0 81 -12,-2.0 4,-1.5 1,-0.3 -11,-0.1 0.638 114.5 52.8 -62.5 -27.4 12.9 13.8 30.3 93 335 A N H 3> S+ 0 0 82 2,-0.2 4,-3.3 -13,-0.2 -1,-0.3 0.847 103.1 55.3 -73.9 -37.2 14.7 11.2 32.3 94 336 A S H <> S+ 0 0 54 -3,-0.7 4,-0.8 1,-0.2 -2,-0.2 0.880 113.1 47.3 -59.4 -41.5 14.1 8.6 29.7 95 337 A A H <>S+ 0 0 5 -4,-1.7 5,-1.5 2,-0.2 -2,-0.2 0.871 112.4 46.8 -64.8 -46.4 15.8 11.1 27.5 96 338 A H H ><5S+ 0 0 132 -4,-1.5 3,-1.7 1,-0.2 5,-0.4 0.886 107.4 54.7 -65.1 -44.1 18.6 11.7 30.0 97 339 A S H 3<5S+ 0 0 101 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 103.6 59.9 -62.3 -25.2 19.3 8.1 30.6 98 340 A A T 3<5S- 0 0 32 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.256 119.5-105.8 -89.9 10.3 19.7 7.7 26.8 99 341 A G T < 5S+ 0 0 69 -3,-1.7 3,-0.2 1,-0.1 -3,-0.2 0.435 100.4 96.3 81.5 1.4 22.5 10.2 26.5 100 342 A V >< + 0 0 25 -5,-1.5 4,-1.4 1,-0.2 3,-0.3 -0.070 37.7 122.3-111.9 32.6 20.4 12.9 25.0 101 343 A G H > + 0 0 10 -5,-0.4 4,-1.6 1,-0.2 5,-0.2 0.866 67.9 61.3 -60.5 -38.8 19.6 14.9 28.1 102 344 A A H > S+ 0 0 83 -3,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.816 111.1 31.5 -60.2 -46.1 21.2 18.1 26.7 103 345 A I H > S+ 0 0 19 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.776 114.9 57.4 -87.3 -29.0 19.0 18.7 23.6 104 346 A F H X S+ 0 0 20 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.874 107.8 49.3 -66.0 -39.7 15.7 17.2 25.0 105 347 A D H X S+ 0 0 46 -4,-1.6 4,-2.8 -5,-0.2 5,-0.3 0.910 108.6 54.9 -64.8 -41.4 15.9 19.7 27.8 106 348 A R H X S+ 0 0 43 -4,-0.9 4,-1.8 1,-0.2 5,-0.4 0.833 104.7 51.1 -59.6 -42.3 16.5 22.4 25.3 107 349 A V H X>S+ 0 0 11 -4,-1.8 5,-1.9 3,-0.2 4,-1.4 0.903 115.8 44.3 -61.8 -43.1 13.4 21.6 23.3 108 350 A L H <>S+ 0 0 11 -4,-1.5 5,-2.9 3,-0.2 6,-0.2 0.941 122.2 33.8 -66.1 -52.9 11.4 21.7 26.6 109 351 A T H <5S+ 0 0 62 -4,-2.8 5,-0.5 3,-0.2 -3,-0.2 0.943 127.8 37.4 -63.7 -59.1 12.9 24.8 28.1 110 352 A E H <5S+ 0 0 5 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.699 134.3 12.5 -70.2 -31.5 13.4 26.7 24.9 111 353 A L T X5S+ 0 0 1 -4,-1.4 4,-1.2 -5,-0.4 -3,-0.2 0.776 124.1 40.1-119.4 -52.1 10.4 25.7 22.9 112 354 A V H > S+ 0 0 44 -5,-0.5 4,-1.4 -6,-0.2 -1,-0.3 0.835 108.6 53.0 -61.3 -36.6 7.4 29.1 25.9 115 357 A M H <>S+ 0 0 10 -4,-1.2 5,-1.6 1,-0.2 4,-0.4 0.968 113.2 44.2 -63.6 -46.4 4.7 27.7 23.9 116 358 A R H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.749 106.9 59.9 -63.9 -34.5 2.7 27.0 27.1 117 359 A D H <5S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.868 116.0 32.1 -66.4 -39.5 3.5 30.3 28.6 118 360 A M T <5S- 0 0 18 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.340 103.4-127.2-100.2 4.9 1.9 32.2 25.8 119 361 A Q T 5 - 0 0 167 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.800 32.9-156.7 55.2 40.0 -0.8 29.6 25.1 120 362 A M < - 0 0 15 -5,-1.6 -1,-0.2 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46.8 2.3 347 361 C Q T < 5 - 0 0 153 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.872 33.1-157.9 51.5 46.7 18.8 49.5 3.0 348 362 C M < - 0 0 8 -5,-1.1 -1,-0.1 1,-0.1 2,-0.1 -0.255 7.0-134.3 -59.2 131.6 18.8 48.7 6.7 349 363 C D > - 0 0 28 -3,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.442 21.0-107.2 -87.4 165.7 20.0 51.6 8.9 350 364 C K H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.747 120.8 57.1 -62.9 -28.1 22.4 51.7 11.8 351 365 C T H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.989 107.0 46.4 -65.4 -54.0 19.5 52.1 14.1 352 366 C E H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.774 115.1 50.0 -58.7 -31.5 17.9 48.9 12.8 353 367 C L H >X S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 3,-0.8 0.969 109.9 46.2 -70.7 -53.5 21.3 47.3 13.1 354 368 C G H 3X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.3 -2,-0.2 0.824 112.6 55.9 -58.2 -29.8 22.0 48.4 16.7 355 369 C C H 3X S+ 0 0 2 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.3 0.807 108.1 43.7 -67.9 -40.7 18.5 47.3 17.5 356 370 C L H < S+ 0 0 12 -4,-1.2 3,-0.7 1,-0.1 -2,-0.2 0.976 109.3 46.7 -67.9 -54.1 20.7 39.1 20.2 361 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> + 0 0 66 1,-0.1 4,-0.9 2,-0.0 -1,-0.2 -0.919 61.9 171.8-117.5 102.6 17.3 36.0 36.1 372 386 C P H > S+ 0 0 62 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.642 73.3 66.9 -73.6 -23.2 15.7 35.0 32.9 373 387 C A H > S+ 0 0 56 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.717 100.5 47.2 -67.8 -36.7 12.7 37.2 33.5 374 388 C E H > S+ 0 0 87 -3,-0.2 4,-2.5 2,-0.2 5,-0.1 0.937 112.9 45.9 -72.2 -50.5 14.5 40.4 33.3 375 389 C V H X S+ 0 0 4 -4,-0.9 4,-1.1 1,-0.2 -2,-0.2 0.832 112.0 55.1 -60.6 -36.9 16.5 39.6 30.1 376 390 C E H X S+ 0 0 58 -4,-1.3 4,-1.1 2,-0.2 3,-0.5 0.941 111.0 40.6 -66.1 -50.1 13.4 38.4 28.5 377 391 C A H >X S+ 0 0 25 -4,-1.3 4,-1.2 1,-0.2 3,-1.0 0.936 107.4 62.4 -62.2 -44.7 11.3 41.5 29.1 378 392 C L H 3X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.765 104.2 49.4 -55.9 -32.0 14.2 43.7 28.2 379 393 C R H 3X S+ 0 0 17 -4,-1.1 4,-1.6 -3,-0.5 -1,-0.3 0.797 104.6 58.7 -67.1 -35.5 14.1 42.1 24.8 380 394 C E H - 0 0 72 -3,-0.2 3,-1.1 -7,-0.2 -1,-0.2 -0.864 65.0-176.3-109.2 104.5 6.4 49.2 4.1 398 412 C P T > S+ 0 0 113 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.852 79.9 57.0 -60.5 -36.3 4.2 47.4 6.6 399 413 C G T 3> S+ 0 0 30 1,-0.2 4,-1.5 2,-0.1 5,-0.1 0.091 72.0 103.0 -89.9 16.9 6.3 44.3 6.6 400 414 C R H <> S+ 0 0 7 -3,-1.1 4,-1.7 -6,-0.3 -1,-0.2 0.892 76.8 55.6 -66.7 -39.5 9.6 45.8 7.6 401 415 C F H <> S+ 0 0 11 -3,-0.6 4,-1.4 1,-0.2 3,-0.3 0.964 111.1 43.2 -61.0 -51.3 9.4 44.7 11.2 402 416 C A H > S+ 0 0 3 1,-0.2 4,-0.9 -4,-0.2 -1,-0.2 0.808 109.4 55.8 -61.7 -42.5 9.0 41.1 10.4 403 417 C K H < S+ 0 0 52 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 107.1 51.0 -62.9 -38.0 11.6 41.0 7.6 404 418 C L H >< S+ 0 0 0 -4,-1.7 3,-1.1 -3,-0.3 -2,-0.2 0.906 109.3 48.1 -66.9 -43.3 14.3 42.3 10.0 405 419 C L H >< S+ 0 0 3 -4,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.674 102.5 69.7 -65.3 -22.2 13.6 39.7 12.7 406 420 C L T 3< S+ 0 0 6 -4,-0.9 -1,-0.2 1,-0.2 4,-0.2 0.339 86.3 60.4 -87.9 6.0 13.7 37.1 10.1 407 421 C R T <> S+ 0 0 29 -3,-1.1 4,-1.0 2,-0.1 -1,-0.2 0.364 86.3 82.5-105.1 -3.2 17.4 37.3 9.4 408 422 C L H <> S+ 0 0 8 -3,-0.9 4,-1.2 2,-0.2 -2,-0.2 0.698 87.1 51.4 -68.7 -33.3 18.0 36.4 13.0 409 423 C P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.803 112.4 46.6 -69.4 -40.0 17.6 32.6 12.4 410 424 C A H > S+ 0 0 1 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.774 110.0 54.3 -67.1 -33.7 20.1 32.9 9.5 411 425 C L H X S+ 0 0 9 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.880 109.3 48.4 -67.4 -38.0 22.3 34.9 11.8 412 426 C R H X S+ 0 0 27 -4,-1.2 4,-1.6 2,-0.2 3,-0.3 0.962 111.5 49.9 -64.4 -49.8 22.0 32.0 14.3 413 427 C S H X S+ 0 0 8 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.889 110.9 47.2 -59.2 -48.9 22.8 29.5 11.7 414 428 C I H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.822 108.3 55.7 -63.9 -36.9 25.9 31.3 10.3 415 429 C G H X S+ 0 0 1 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.889 106.7 48.3 -64.4 -43.6 27.4 32.0 13.8 416 430 C L H X S+ 0 0 55 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.880 113.2 47.7 -60.1 -47.7 27.4 28.4 14.9 417 431 C K H X S+ 0 0 83 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.781 110.8 54.1 -64.3 -32.3 29.0 27.4 11.5 418 432 C C H X S+ 0 0 37 -4,-1.5 4,-1.2 -5,-0.2 -2,-0.2 0.837 105.9 52.8 -66.2 -37.5 31.4 30.2 12.1 419 433 C L H X S+ 0 0 40 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.915 103.7 55.5 -63.7 -42.8 32.3 28.8 15.5 420 434 C E H >X S+ 0 0 99 -4,-1.5 4,-2.0 1,-0.2 3,-0.8 0.939 102.9 55.1 -59.9 -48.1 33.1 25.4 14.2 421 435 C H H 3X S+ 0 0 41 -4,-1.3 4,-1.5 1,-0.3 -1,-0.2 0.881 107.1 51.4 -53.9 -45.8 35.6 26.6 11.8 422 436 C L H 3X S+ 0 0 20 -4,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.776 104.8 54.0 -62.0 -37.9 37.5 28.4 14.6 423 437 C F H S+ 0 0 30 -4,-1.5 4,-3.2 -5,-0.2 5,-0.7 0.981 115.8 40.9 -64.0 -48.3 41.8 26.3 13.3 426 440 C K H <5S+ 0 0 76 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.880 110.3 57.6 -62.7 -39.1 42.9 26.0 16.9 427 441 C L H <5S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.5 37.4 -61.8 -40.1 42.6 22.3 16.9 428 442 C I H <5S- 0 0 84 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.839 94.1-151.5 -70.2 -44.2 45.1 22.4 14.1 429 443 C G T <5 + 0 0 59 -4,-3.2 -3,-0.2 -5,-0.2 -4,-0.1 0.692 62.1 117.3 76.5 13.3 47.1 25.3 15.6 430 444 C D < + 0 0 107 -5,-0.7 -4,-0.1 1,-0.1 -5,-0.1 0.768 62.8 63.9 -71.8 -38.9 48.1 26.4 12.1 431 445 C T S S- 0 0 6 -6,-0.5 2,-0.2 -180,-0.0 -2,-0.1 -0.835 89.5-125.7 -95.4 119.8 46.4 29.7 12.4 432 446 C P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 -177,-0.1 -0.492 28.0-169.4 -66.0 134.2 47.7 32.0 15.0 433 447 C I - 0 0 18 -2,-0.2 2,-0.1 -4,-0.1 -177,-0.1 -0.987 14.3-135.4-124.9 131.1 44.9 33.0 17.3 434 448 C D >> - 0 0 79 -2,-0.4 4,-1.9 -179,-0.2 3,-0.6 -0.359 31.4 -88.9 -88.8 175.3 45.5 35.8 19.7 435 449 C T H 3> S+ 0 0 92 1,-0.2 4,-1.1 2,-0.2 14,-0.1 0.694 115.8 50.7 -60.7 -42.4 44.5 35.9 23.4 436 450 C F H 3> S+ 0 0 2 2,-0.2 4,-0.6 1,-0.1 -1,-0.2 0.765 114.9 46.0 -67.9 -35.0 41.0 37.3 23.5 437 451 C L H X> S+ 0 0 1 -3,-0.6 3,-2.8 2,-0.2 4,-1.1 0.976 106.9 53.4 -71.1 -54.0 39.8 35.0 20.9 438 452 C M H 3X S+ 0 0 52 -4,-1.9 4,-0.5 1,-0.3 3,-0.3 0.780 107.0 60.8 -53.3 -29.2 41.3 31.9 22.3 439 453 C E H 3< S+ 0 0 21 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.776 100.7 48.0 -64.4 -37.1 39.4 33.0 25.3 440 454 C M H << S+ 0 0 12 -3,-2.8 -1,-0.2 -4,-0.6 -2,-0.2 0.588 112.7 50.7 -87.8 -9.5 36.0 32.9 23.8 441 455 C L H < S+ 0 0 7 -4,-1.1 2,-0.5 -3,-0.3 -1,-0.2 0.459 89.1 98.1 -92.7 -16.6 36.8 29.5 22.5 442 456 C E S < S- 0 0 103 -4,-0.5 -3,-0.0 -5,-0.3 0, 0.0 -0.708 81.4-109.7 -85.5 124.7 38.0 28.3 25.9 443 457 C A 0 0 87 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.052 360.0 360.0 -65.9 150.7 35.2 26.4 27.6 444 458 C P 0 0 142 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.929 360.0 360.0 -85.8 360.0 32.9 27.1 30.5 445 !* 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 0.0 446 1 D K 0 0 181 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 41.3 37.8 31.4 34.4 447 2 D H > - 0 0 39 3,-0.1 4,-0.9 4,-0.0 -8,-0.0 0.944 360.0-178.7 52.8 73.6 38.2 33.9 31.6 448 3 D K H >> + 0 0 133 1,-0.2 4,-2.0 2,-0.2 3,-1.3 0.986 68.3 53.1 -66.2 -60.5 40.2 36.8 33.0 449 4 D I H 3> S+ 0 0 43 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.799 108.1 51.4 -51.0 -43.9 40.6 39.4 30.3 450 5 D L H 34 S+ 0 0 2 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.823 111.3 46.6 -62.5 -37.5 36.9 39.7 29.6 451 6 D H H X< S+ 0 0 38 -3,-1.3 3,-1.3 -4,-0.9 -1,-0.2 0.889 110.5 54.1 -69.5 -39.1 36.0 40.2 33.3 452 7 D R H >X S+ 0 0 169 -4,-2.0 4,-1.2 1,-0.2 3,-0.7 0.775 107.3 52.7 -59.6 -30.5 38.8 42.7 33.6 453 8 D L T 3< S+ 0 0 48 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.398 101.0 60.7 -89.4 -3.1 37.2 44.6 30.6 454 9 D L T <4 S+ 0 0 16 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.140 101.3 50.8-113.7 13.6 33.9 44.7 32.3 455 10 D Q T <4 0 0 160 -3,-0.7 -2,-0.2 -175,-0.0 -3,-0.1 0.631 360.0 360.0 -98.0 -68.4 35.2 46.7 35.2 456 11 D D < 0 0 145 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.1 -0.573 360.0 360.0 174.9 360.0 36.7 49.1 32.8