==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION REGULATOR 14-JAN-09 3FUG . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR RXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.BOURGUET . 221 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 74.7 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 . 4 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 . 1 0.5 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 4 0 1 0 2 0 1 0 0 0 0 0 0 0 0 2 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 229 A D 0 0 141 0, 0.0 149,-0.1 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 145.8 3.1 19.4 -14.7 2 230 A M - 0 0 1 147,-0.2 2,-0.2 148,-0.0 151,-0.1 -0.612 360.0-164.3-143.2 76.6 1.1 18.5 -11.7 3 231 A P > - 0 0 27 0, 0.0 4,-1.1 0, 0.0 3,-0.4 -0.440 17.3-146.7 -71.2 130.2 0.3 21.5 -9.5 4 232 A V H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.784 98.0 66.2 -65.2 -28.3 -0.9 20.8 -5.9 5 233 A E H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 102.3 46.6 -55.2 -47.2 -3.0 23.9 -6.1 6 234 A R H > S+ 0 0 113 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.794 111.6 51.8 -66.2 -31.9 -5.2 22.3 -8.8 7 235 A I H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.932 111.0 46.2 -72.2 -44.1 -5.4 19.1 -6.8 8 236 A L H X S+ 0 0 45 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.858 108.5 57.6 -63.5 -36.9 -6.6 21.0 -3.7 9 237 A E H X S+ 0 0 111 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.911 104.6 51.3 -58.3 -44.9 -9.1 22.9 -5.9 10 238 A A H X S+ 0 0 0 -4,-1.6 4,-1.0 29,-0.2 -2,-0.2 0.926 110.5 49.5 -58.5 -46.0 -10.6 19.6 -7.0 11 239 A E H >< S+ 0 0 12 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.925 113.5 44.0 -55.9 -50.3 -11.0 18.6 -3.3 12 240 A L H >< S+ 0 0 85 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.770 106.4 62.9 -71.6 -26.5 -12.6 21.8 -2.3 13 241 A A H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.767 106.4 44.1 -65.1 -29.7 -14.9 21.8 -5.4 14 242 A V T << 0 0 28 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.219 360.0 360.0-106.2 13.3 -16.6 18.5 -4.3 15 243 A E < 0 0 151 -3,-0.8 -3,-0.0 -4,-0.1 66,-0.0 -0.285 360.0 360.0 -71.7 360.0 -17.1 19.2 -0.6 16 ! 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 17 263 A D >> 0 0 106 0, 0.0 4,-1.2 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 146.7 -30.4 0.2 9.3 18 264 A P H 3> + 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.762 360.0 64.8 -52.7 -32.3 -27.1 2.2 9.1 19 265 A V H 3> S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 100.3 51.0 -59.0 -42.6 -25.8 0.0 6.3 20 266 A T H <> S+ 0 0 26 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.948 111.5 47.9 -59.5 -47.8 -28.7 1.2 4.0 21 267 A N H X S+ 0 0 61 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.869 111.4 50.8 -58.5 -39.8 -27.7 4.9 4.8 22 268 A I H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.903 110.1 49.3 -67.1 -41.1 -24.0 4.1 4.2 23 269 A C H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.840 108.7 52.8 -66.4 -36.4 -24.8 2.6 0.8 24 270 A Q H X S+ 0 0 104 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.918 108.9 50.9 -64.1 -42.5 -27.0 5.6 -0.2 25 271 A A H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.894 108.5 50.9 -59.8 -46.0 -24.0 7.8 0.7 26 272 A A H X S+ 0 0 25 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.920 110.4 49.0 -58.5 -48.5 -21.6 5.8 -1.5 27 273 A D H >X S+ 0 0 13 -4,-2.0 4,-0.9 1,-0.2 3,-0.5 0.939 111.7 49.9 -54.6 -51.9 -24.0 6.0 -4.5 28 274 A K H >X S+ 0 0 102 -4,-2.3 4,-1.1 1,-0.2 3,-0.8 0.906 111.0 49.3 -51.3 -48.5 -24.4 9.8 -4.1 29 275 A Q H 3X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.719 96.5 70.1 -72.8 -20.6 -20.6 10.2 -3.9 30 276 A L H < S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 4,-0.4 0.936 108.7 48.5 -57.2 -52.1 -13.6 15.4 -8.9 37 283 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 6,-0.3 0.859 103.8 60.7 -62.2 -37.7 -11.5 13.3 -11.3 38 284 A K H 3< S+ 0 0 50 -4,-1.8 -1,-0.3 1,-0.3 6,-0.3 0.727 104.5 51.3 -58.9 -25.3 -12.3 15.6 -14.2 39 285 A R T << S+ 0 0 129 -3,-1.2 -1,-0.3 -4,-0.7 -29,-0.2 0.457 85.4 99.8 -92.6 -5.8 -10.6 18.4 -12.2 40 286 A I S X S- 0 0 2 -3,-1.5 3,-1.8 -4,-0.4 4,-0.5 -0.745 92.0 -97.8 -80.2 124.3 -7.4 16.4 -11.6 41 287 A P T 3 S- 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.137 99.1 -0.5 -50.8 129.2 -4.8 17.6 -14.1 42 288 A H T > S+ 0 0 72 -4,-0.1 3,-0.7 1,-0.1 4,-0.5 0.244 97.2 108.6 80.0 -8.7 -4.5 15.4 -17.3 43 289 A F G X S+ 0 0 0 -3,-1.8 3,-1.5 -6,-0.3 -5,-0.1 0.938 77.8 52.3 -62.4 -47.0 -7.2 12.8 -16.3 44 290 A S G 3 S+ 0 0 49 -4,-0.5 -1,-0.2 -6,-0.3 4,-0.1 0.620 102.5 61.7 -63.1 -15.8 -9.7 14.1 -18.9 45 291 A E G < S+ 0 0 133 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.541 83.1 95.7 -91.2 -11.6 -7.0 13.8 -21.6 46 292 A L S < S- 0 0 5 -3,-1.5 5,-0.1 -4,-0.5 -4,-0.0 -0.413 97.9 -81.3 -67.4 153.1 -6.6 10.0 -21.1 47 293 A P >> - 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.360 41.2-118.4 -52.5 137.7 -8.6 7.8 -23.5 48 294 A L H 3> S+ 0 0 76 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.848 115.0 56.9 -48.4 -40.4 -12.3 7.6 -22.3 49 295 A D H 3> S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.846 107.9 47.3 -62.1 -34.4 -11.8 3.8 -21.9 50 296 A D H <> S+ 0 0 3 -3,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.848 108.1 54.3 -74.9 -36.9 -8.9 4.3 -19.6 51 297 A Q H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.892 110.4 48.2 -58.4 -41.9 -10.8 7.0 -17.5 52 298 A V H X S+ 0 0 7 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.941 112.3 48.1 -63.0 -51.1 -13.5 4.3 -17.1 53 299 A I H X S+ 0 0 39 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.926 111.7 49.8 -56.2 -48.0 -10.9 1.7 -16.1 54 300 A L H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.902 114.6 43.5 -61.2 -43.6 -9.2 4.0 -13.6 55 301 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.844 113.9 49.9 -70.7 -36.4 -12.5 5.0 -11.9 56 302 A R H < S+ 0 0 43 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.870 115.5 45.0 -70.0 -35.5 -13.8 1.4 -11.8 57 303 A A H < S+ 0 0 54 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.868 126.2 27.7 -68.7 -39.4 -10.5 0.3 -10.3 58 304 A G H X S+ 0 0 4 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.569 83.6 101.6-109.1 -12.3 -10.2 3.1 -7.7 59 305 A W H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.809 85.6 48.5 -50.0 -41.1 -13.7 4.4 -6.7 60 306 A N H > S+ 0 0 20 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.975 115.3 41.6 -70.7 -52.9 -13.9 2.6 -3.4 61 307 A E H > S+ 0 0 22 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 115.4 53.9 -54.4 -44.3 -10.5 3.5 -2.1 62 308 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.908 113.9 39.8 -56.9 -45.4 -11.1 7.1 -3.4 63 309 A L H X S+ 0 0 15 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.855 113.8 53.2 -77.9 -37.3 -14.4 7.5 -1.6 64 310 A I H X S+ 0 0 3 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.914 107.7 52.2 -60.2 -44.6 -13.2 5.7 1.6 65 311 A A H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.924 111.4 49.1 -55.8 -44.7 -10.2 8.1 1.8 66 312 A S H X S+ 0 0 17 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.923 113.2 41.5 -65.1 -52.1 -12.6 11.1 1.5 67 313 A F H X S+ 0 0 37 -4,-2.4 4,-1.3 2,-0.2 12,-0.5 0.843 113.8 55.7 -67.7 -29.7 -15.1 10.1 4.2 68 314 A S H < S+ 0 0 0 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.929 110.3 43.4 -65.2 -45.6 -12.2 9.0 6.5 69 315 A H H >< S+ 0 0 18 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.889 110.8 56.2 -67.8 -37.4 -10.6 12.4 6.2 70 316 A R H >< S+ 0 0 82 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.828 103.4 57.6 -57.0 -32.6 -14.0 14.1 6.6 71 317 A S G >< S+ 0 0 0 -4,-1.3 3,-1.9 -3,-0.2 -1,-0.2 0.391 72.8 98.1 -85.8 1.1 -14.4 12.2 9.9 72 318 A I G < S+ 0 0 50 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.789 78.8 59.5 -61.8 -27.6 -11.3 13.4 11.7 73 319 A A G < S+ 0 0 94 -3,-0.7 2,-0.4 -4,-0.2 -1,-0.3 0.539 101.2 72.1 -75.1 -6.6 -13.3 16.1 13.6 74 320 A V S < S- 0 0 35 -3,-1.9 2,-0.4 3,-0.2 3,-0.3 -0.878 73.2-138.0-119.2 141.6 -15.4 13.2 15.1 75 321 A K S S- 0 0 165 -2,-0.4 13,-0.1 1,-0.2 3,-0.1 -0.818 83.0 -7.3 -97.2 136.7 -14.7 10.6 17.7 76 322 A D S S+ 0 0 70 -2,-0.4 12,-3.1 1,-0.1 13,-0.3 0.798 119.3 77.1 51.1 39.2 -15.8 7.0 17.2 77 323 A G E -A 87 0A 0 -3,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.989 67.9-125.4-161.7 165.3 -17.9 7.8 14.1 78 324 A I E -A 86 0A 4 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.937 18.8-137.4-118.2 151.0 -17.9 8.6 10.4 79 325 A L E -A 85 0A 45 -12,-0.5 6,-0.2 -2,-0.3 2,-0.1 -0.928 21.0-151.0-106.9 111.9 -19.5 11.6 8.7 80 326 A L > - 0 0 11 4,-3.4 3,-1.5 -2,-0.6 -58,-0.1 -0.447 23.9-117.9 -80.9 158.3 -21.4 10.6 5.5 81 327 A A T 3 S+ 0 0 31 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.684 111.6 68.5 -66.5 -18.7 -21.7 13.0 2.6 82 328 A T T 3 S- 0 0 59 2,-0.1 -1,-0.3 -61,-0.1 3,-0.1 0.360 122.1-102.4 -80.9 2.3 -25.5 12.9 3.2 83 329 A G S < S+ 0 0 71 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.515 83.2 128.0 84.8 7.7 -25.1 14.8 6.5 84 330 A L - 0 0 79 -63,-0.1 -4,-3.4 -62,-0.0 2,-0.4 -0.748 48.6-146.8 -99.8 144.2 -25.6 11.6 8.5 85 331 A H E -A 79 0A 91 -2,-0.3 2,-0.6 -6,-0.2 -6,-0.2 -0.898 4.9-157.1-105.9 134.3 -23.2 10.4 11.3 86 332 A V E -A 78 0A 5 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.2 -0.962 13.9-148.1-111.3 118.2 -22.7 6.7 11.9 87 333 A H E > -A 77 0A 71 -2,-0.6 4,-2.3 -10,-0.2 3,-0.4 -0.567 22.6-118.5 -82.4 147.2 -21.5 5.9 15.4 88 334 A R H > S+ 0 0 87 -12,-3.1 4,-2.6 1,-0.2 5,-0.2 0.886 117.3 54.2 -44.0 -46.7 -19.2 3.0 16.0 89 335 A N H > S+ 0 0 100 -13,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.881 106.9 51.2 -60.5 -38.5 -21.9 1.5 18.3 90 336 A S H > S+ 0 0 39 -3,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.918 110.2 48.5 -65.5 -44.2 -24.4 1.8 15.4 91 337 A A H ><>S+ 0 0 1 -4,-2.3 5,-2.1 1,-0.2 3,-0.8 0.917 112.5 48.9 -61.7 -44.8 -22.1 -0.0 13.0 92 338 A H H ><5S+ 0 0 78 -4,-2.6 3,-1.7 4,-0.2 5,-0.4 0.920 107.9 53.7 -60.2 -44.4 -21.4 -2.8 15.6 93 339 A S H 3<5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.630 106.3 54.8 -68.2 -13.0 -25.2 -3.2 16.2 94 340 A A T <<5S- 0 0 33 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.336 120.9-105.0-100.5 4.6 -25.7 -3.7 12.4 95 341 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.602 100.1 95.6 84.9 12.7 -23.1 -6.6 12.2 96 342 A V >< + 0 0 18 -5,-2.1 4,-1.7 -6,-0.2 -4,-0.2 0.005 41.7 121.1-122.0 30.6 -20.4 -4.5 10.5 97 343 A G H > + 0 0 7 -5,-0.4 4,-2.7 -6,-0.3 5,-0.2 0.865 67.1 54.8 -65.1 -45.3 -18.3 -3.6 13.6 98 344 A A H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.959 112.2 41.8 -57.5 -54.7 -14.9 -5.1 12.7 99 345 A I H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 113.2 55.0 -63.7 -36.4 -14.5 -3.4 9.3 100 346 A F H X S+ 0 0 15 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.933 107.1 50.2 -59.0 -46.8 -15.8 -0.1 10.8 101 347 A D H X S+ 0 0 32 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.850 105.4 56.8 -62.9 -34.1 -13.2 -0.2 13.6 102 348 A R H X>S+ 0 0 68 -4,-1.7 4,-2.8 2,-0.2 5,-0.6 0.939 107.4 49.1 -60.9 -46.1 -10.4 -0.8 10.9 103 349 A V H X>S+ 0 0 6 -4,-1.9 5,-2.1 1,-0.2 4,-1.6 0.949 114.5 45.0 -56.1 -50.6 -11.6 2.5 9.2 104 350 A L H <>S+ 0 0 12 -4,-2.3 5,-2.8 3,-0.2 6,-0.2 0.918 123.0 34.5 -60.3 -45.2 -11.4 4.3 12.6 105 351 A T H <5S+ 0 0 72 -4,-2.9 5,-0.3 3,-0.2 -2,-0.2 0.931 126.4 34.4 -81.7 -46.2 -8.1 2.9 13.7 106 352 A E H <5S+ 0 0 49 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.775 134.5 14.9 -83.0 -28.3 -6.1 2.6 10.4 107 353 A L T X S+ 0 0 73 -5,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.897 112.0 49.0 -69.1 -43.8 -4.0 8.2 11.7 111 357 A M H <>S+ 0 0 8 -4,-2.8 5,-2.1 1,-0.2 4,-0.5 0.913 115.2 46.7 -58.9 -44.9 -5.2 11.0 9.6 112 358 A R H ><5S+ 0 0 78 -4,-2.8 3,-1.1 -5,-0.3 -2,-0.2 0.938 109.5 52.9 -59.9 -50.5 -6.1 12.8 12.8 113 359 A D H 3<5S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 117.2 36.3 -61.7 -33.3 -2.8 12.1 14.6 114 360 A M T 3<5S- 0 0 17 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.396 105.7-125.2 -99.4 0.9 -0.6 13.5 11.8 115 361 A Q T < 5 - 0 0 159 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.893 31.2-157.6 53.0 45.7 -3.0 16.3 10.9 116 362 A M < - 0 0 5 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.284 11.6-140.6 -51.3 130.2 -3.2 15.2 7.2 117 363 A D > - 0 0 27 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.425 19.6-104.3 -96.5 173.0 -4.2 18.3 5.2 118 364 A K H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -107,-0.1 0.787 120.3 52.4 -68.8 -31.3 -6.6 18.6 2.2 119 365 A T H > S+ 0 0 13 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.913 111.9 47.3 -65.4 -46.1 -3.7 19.0 -0.3 120 366 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 113.7 46.6 -61.2 -48.6 -2.1 15.8 1.1 121 367 A L H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.943 111.8 52.7 -54.8 -50.4 -5.5 13.9 0.9 122 368 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.877 111.2 45.8 -53.2 -46.6 -6.0 15.3 -2.6 123 369 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.862 111.0 51.3 -67.7 -42.5 -2.6 14.0 -3.8 124 370 A L H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 112.1 48.0 -59.5 -44.3 -3.0 10.6 -2.1 125 371 A R H X S+ 0 0 7 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.891 109.6 52.0 -62.5 -40.4 -6.3 10.3 -3.9 126 372 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.853 108.4 51.8 -66.5 -33.7 -4.8 11.4 -7.2 127 373 A I H < S+ 0 0 4 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.911 110.4 48.4 -62.7 -44.4 -2.1 8.7 -6.7 128 374 A V H < S+ 0 0 9 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.941 110.8 52.0 -61.2 -45.8 -4.9 6.1 -6.2 129 375 A L H < S+ 0 0 0 -4,-2.9 2,-2.1 1,-0.3 -2,-0.2 0.934 103.4 57.3 -55.2 -53.0 -6.7 7.4 -9.3 130 376 A F S < S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.1 17,-0.1 -0.462 74.2 161.7 -80.7 67.5 -3.6 7.1 -11.5 131 377 A N > - 0 0 18 -2,-2.1 3,-1.8 -3,-0.3 13,-0.1 -0.793 23.0-170.2 -95.0 101.7 -3.2 3.3 -10.8 132 378 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 12,-0.1 0.532 81.4 66.9 -76.2 -2.8 -1.0 1.9 -13.5 133 379 A D T 3 + 0 0 111 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.532 70.0 122.8 -87.6 -10.2 -1.7 -1.7 -12.3 134 380 A S X - 0 0 11 -3,-1.8 3,-1.1 1,-0.1 2,-0.2 -0.323 70.0-115.2 -53.4 127.2 -5.4 -1.3 -13.4 135 381 A K T 3 S+ 0 0 187 1,-0.2 -1,-0.1 -82,-0.1 -2,-0.1 -0.440 91.1 24.6 -75.4 137.7 -6.0 -4.1 -15.9 136 382 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -2,-0.2 -83,-0.1 0.343 75.4 155.7 97.2 -5.9 -6.8 -3.3 -19.5 137 383 A L < - 0 0 17 -3,-1.1 -1,-0.3 1,-0.1 -87,-0.0 -0.276 39.4-146.0 -54.1 134.7 -5.2 0.2 -19.7 138 384 A S S S+ 0 0 84 1,-0.3 -1,-0.1 -91,-0.1 -2,-0.0 0.873 94.4 18.0 -71.6 -39.1 -4.2 1.1 -23.3 139 385 A N > + 0 0 67 1,-0.1 4,-1.1 2,-0.0 3,-0.4 -0.759 64.4 171.8-135.6 87.9 -1.1 3.0 -22.1 140 386 A P H > S+ 0 0 64 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.783 79.7 63.4 -62.8 -28.3 -0.1 2.0 -18.5 141 387 A A H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.877 99.7 51.0 -66.1 -40.7 3.1 4.0 -19.0 142 388 A E H > S+ 0 0 73 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.862 112.4 47.0 -62.9 -38.3 1.2 7.3 -19.3 143 389 A V H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.925 111.1 51.1 -70.9 -44.7 -0.7 6.5 -16.1 144 390 A E H X S+ 0 0 96 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 109.2 52.0 -54.5 -44.7 2.5 5.6 -14.3 145 391 A A H X S+ 0 0 36 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.868 109.4 49.3 -61.5 -38.1 4.0 8.9 -15.5 146 392 A L H X S+ 0 0 9 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.942 110.0 50.1 -69.3 -45.0 1.0 10.8 -14.1 147 393 A R H X S+ 0 0 52 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.905 109.4 52.1 -54.6 -47.0 1.3 9.0 -10.7 148 394 A E H X S+ 0 0 84 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.870 108.4 51.7 -59.3 -38.9 5.0 9.9 -10.6 149 395 A K H X S+ 0 0 90 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.889 108.7 50.8 -66.2 -40.8 4.1 13.5 -11.2 150 396 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.960 113.7 42.9 -59.8 -52.9 1.6 13.5 -8.4 151 397 A Y H X S+ 0 0 90 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.805 111.0 55.1 -72.2 -25.4 4.0 12.1 -5.8 152 398 A A H X S+ 0 0 54 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.942 113.1 43.4 -62.4 -47.0 6.8 14.3 -7.0 153 399 A S H X S+ 0 0 28 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.857 112.4 52.6 -66.9 -38.0 4.5 17.3 -6.4 154 400 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.909 109.8 48.4 -63.6 -45.0 3.3 15.9 -3.0 155 401 A E H X S+ 0 0 75 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.938 110.5 50.5 -62.5 -47.7 6.8 15.4 -1.7 156 402 A A H X S+ 0 0 62 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.918 112.3 48.7 -53.7 -46.0 7.8 19.0 -2.7 157 403 A Y H X S+ 0 0 34 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.932 111.3 49.1 -57.9 -50.7 4.7 20.3 -0.9 158 404 A C H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 7,-0.2 0.881 110.9 49.6 -58.1 -43.2 5.5 18.2 2.2 159 405 A K H < S+ 0 0 93 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.846 116.3 42.5 -65.5 -36.8 9.1 19.4 2.3 160 406 A H H < S+ 0 0 151 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.888 124.0 34.3 -77.8 -42.7 8.1 23.1 1.9 161 407 A K H < S+ 0 0 108 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.849 132.6 26.3 -81.5 -37.6 5.1 23.0 4.3 162 408 A Y >< + 0 0 43 -4,-2.6 3,-1.8 -5,-0.3 6,-0.2 -0.475 65.1 151.2-127.0 60.5 6.4 20.5 6.9 163 409 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.739 72.6 65.2 -65.6 -20.4 10.3 20.7 6.8 164 410 A E T 3 S+ 0 0 126 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.1 0.583 98.2 58.1 -74.1 -10.7 10.4 19.7 10.5 165 411 A Q X + 0 0 68 -3,-1.8 3,-1.8 -7,-0.2 4,-0.3 -0.717 58.7 170.0-120.9 79.1 8.9 16.3 9.5 166 412 A P T 3 S+ 0 0 103 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.755 79.7 54.5 -64.9 -20.9 11.2 14.7 7.0 167 413 A G T 3> S+ 0 0 48 1,-0.2 4,-2.0 2,-0.1 5,-0.1 0.359 80.8 96.1 -88.3 5.3 9.3 11.4 7.3 168 414 A R H <> S+ 0 0 5 -3,-1.8 4,-2.3 -6,-0.2 -1,-0.2 0.889 78.5 52.3 -66.1 -44.4 5.9 12.9 6.5 169 415 A F H > S+ 0 0 25 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.929 113.5 44.5 -59.1 -48.3 5.8 12.1 2.7 170 416 A A H > S+ 0 0 47 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.876 110.5 55.5 -63.4 -39.5 6.6 8.4 3.4 171 417 A K H < S+ 0 0 112 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.879 107.8 48.9 -61.9 -41.0 4.1 8.3 6.2 172 418 A L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.946 112.5 47.7 -60.0 -50.7 1.3 9.6 3.9 173 419 A L H >< S+ 0 0 52 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.818 102.8 64.8 -59.1 -33.6 2.2 7.0 1.2 174 420 A L T 3< S+ 0 0 109 -4,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.428 87.8 67.4 -81.0 3.7 2.2 4.2 3.9 175 421 A R T <> S+ 0 0 68 -3,-1.5 4,-2.3 -4,-0.2 -1,-0.3 0.599 82.9 80.8 -83.5 -14.9 -1.5 4.7 4.6 176 422 A L H <> S+ 0 0 33 -3,-1.5 4,-2.1 -4,-0.3 -2,-0.2 0.854 85.5 52.7 -64.6 -39.8 -2.1 3.3 1.0 177 423 A P H > S+ 0 0 82 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.928 111.3 48.1 -58.6 -42.6 -1.7 -0.4 1.9 178 424 A A H > S+ 0 0 10 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.922 111.7 50.5 -61.2 -42.5 -4.3 -0.0 4.7 179 425 A L H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.860 110.7 49.2 -61.7 -39.7 -6.6 1.8 2.3 180 426 A R H X S+ 0 0 106 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.930 113.3 45.5 -64.2 -49.4 -6.2 -1.0 -0.2 181 427 A S H X S+ 0 0 46 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.907 115.3 46.6 -62.2 -45.4 -7.0 -3.7 2.3 182 428 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.899 110.0 53.7 -67.4 -41.2 -10.0 -1.9 3.7 183 429 A G H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.929 109.8 49.0 -56.5 -45.9 -11.3 -1.1 0.2 184 430 A L H X S+ 0 0 108 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.904 112.3 46.7 -61.7 -45.1 -11.2 -4.8 -0.6 185 431 A K H X S+ 0 0 75 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 111.3 51.5 -64.1 -43.9 -13.0 -5.8 2.7 186 432 A C H X S+ 0 0 27 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.938 108.9 51.8 -57.2 -45.4 -15.7 -3.2 2.2 187 433 A L H X S+ 0 0 46 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.893 105.3 55.2 -58.6 -43.8 -16.2 -4.5 -1.4 188 434 A E H X S+ 0 0 118 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.918 109.3 47.2 -53.9 -46.5 -16.6 -8.1 -0.0 189 435 A H H X S+ 0 0 50 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.927 110.2 53.5 -61.3 -45.4 -19.4 -6.8 2.3 190 436 A L H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.912 107.7 49.7 -57.0 -46.2 -21.0 -4.9 -0.6 191 437 A F H X S+ 0 0 90 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.890 111.6 49.9 -61.2 -39.8 -21.1 -8.1 -2.7 192 438 A F H X S+ 0 0 111 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.928 108.1 51.7 -62.1 -47.0 -22.7 -9.9 0.2 193 439 A F H X S+ 0 0 29 -4,-2.9 4,-2.1 1,-0.2 6,-0.6 0.907 111.9 48.2 -55.8 -43.1 -25.4 -7.2 0.7 194 440 A K H < S+ 0 0 91 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.911 112.1 50.4 -62.3 -44.0 -26.1 -7.5 -3.0 195 441 A L H < S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.936 113.0 42.0 -60.3 -53.9 -26.3 -11.3 -2.7 196 442 A I H < S- 0 0 93 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.873 95.1-147.9 -66.0 -38.0 -28.7 -11.5 0.3 197 443 A G < + 0 0 57 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.581 63.7 114.6 85.1 11.8 -30.8 -8.7 -1.2 198 444 A D + 0 0 114 -5,-0.4 -4,-0.1 1,-0.1 -5,-0.1 0.404 64.1 70.1 -92.2 1.0 -32.0 -7.2 2.1 199 445 A T S S- 0 0 15 -6,-0.6 2,-0.1 -180,-0.1 -2,-0.1 -0.980 83.1-125.6-125.3 118.6 -30.2 -3.9 1.5 200 446 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 -177,-0.1 -0.427 25.7-170.6 -60.8 132.1 -31.2 -1.4 -1.2 201 447 A I - 0 0 25 -2,-0.1 -177,-0.1 -4,-0.1 -181,-0.0 -0.993 14.7-138.7-127.4 121.5 -28.4 -0.5 -3.6 202 448 A D > - 0 0 101 -2,-0.4 4,-2.6 -179,-0.2 5,-0.2 -0.159 32.0 -87.7 -80.1 178.2 -29.0 2.4 -6.0 203 449 A T H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 13,-0.1 0.750 117.7 43.3 -66.0 -38.3 -28.0 2.4 -9.7 204 450 A F H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 116.7 46.9 -78.7 -42.2 -24.4 3.8 -9.8 205 451 A L H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.940 113.9 49.9 -59.4 -46.0 -23.2 1.7 -6.8 206 452 A M H >< S+ 0 0 67 -4,-2.6 3,-0.8 1,-0.2 4,-0.4 0.916 107.7 53.8 -57.1 -45.3 -24.9 -1.3 -8.4 207 453 A E H >< S+ 0 0 8 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.884 104.9 54.1 -57.0 -40.2 -23.1 -0.5 -11.7 208 454 A M H 3< S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 102.8 58.2 -67.4 -23.9 -19.8 -0.5 -9.9 209 455 A L T << S+ 0 0 4 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.468 84.8 108.1 -84.4 -4.9 -20.6 -4.0 -8.6 210 456 A E S < S- 0 0 89 -3,-1.4 -3,-0.0 -4,-0.4 0, 0.0 -0.415 76.5-111.0 -65.3 148.3 -20.9 -5.3 -12.2 211 457 A A 0 0 85 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.320 360.0 360.0 -70.1 161.1 -18.2 -7.6 -13.6 212 458 A P 0 0 160 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.899 360.0 360.0 -90.5 360.0 -15.9 -6.3 -16.3 213 !* 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 0.0 214 687 B H > 0 0 68 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 61.8 -21.0 0.7 -17.6 215 688 B K H > + 0 0 130 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.852 360.0 49.6 -64.5 -40.3 -23.6 3.1 -19.0 216 689 B I H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 111.9 48.5 -63.3 -49.4 -23.8 5.7 -16.1 217 690 B L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 112.0 48.8 -55.8 -48.8 -20.0 6.1 -15.8 218 691 B H H X S+ 0 0 62 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.924 111.5 50.3 -57.9 -47.2 -19.6 6.6 -19.6 219 692 B R H X S+ 0 0 146 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.897 111.2 47.9 -57.9 -43.4 -22.4 9.2 -19.7 220 693 B L H < S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 110.9 51.0 -70.9 -34.0 -21.0 11.2 -16.8 221 694 B L H < S+ 0 0 12 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.780 101.9 61.3 -72.4 -31.5 -17.4 11.2 -18.3 222 695 B Q H < 0 0 157 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.979 360.0 360.0 -54.8 -59.8 -18.7 12.5 -21.6 223 696 B A < 0 0 96 -4,-1.4 -1,-0.2 0, 0.0 0, 0.0 -0.968 360.0 360.0 159.6 360.0 -20.0 15.7 -20.0