==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 27-AUG-10 3OMM . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.G.RUDOLPH . 485 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 74.0 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 . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 3 0 2 0 4 0 2 1 2 0 1 1 0 0 0 0 2 0 4 1 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 1 247 A M 0 0 145 0, 0.0 2,-0.1 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 -39.5 -4.9 24.1 -29.0 2 248 A E - 0 0 142 1,-0.1 174,-0.0 177,-0.0 173,-0.0 -0.506 360.0 -76.8 -75.7 150.7 -7.0 22.7 -26.1 3 249 A L - 0 0 23 -2,-0.1 -1,-0.1 4,-0.1 169,-0.0 -0.264 50.4-131.1 -52.0 128.2 -5.5 19.6 -24.3 4 250 A T > - 0 0 57 -3,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.106 27.9-101.4 -68.9 175.2 -6.0 16.5 -26.4 5 251 A P H > S+ 0 0 102 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.865 127.3 51.2 -70.5 -32.5 -7.5 13.4 -24.7 6 252 A D H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.895 111.3 48.4 -66.0 -40.0 -4.0 11.9 -24.6 7 253 A Q H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.847 110.0 50.7 -69.9 -36.2 -2.8 15.2 -22.9 8 254 A Q H X S+ 0 0 96 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.847 111.7 48.1 -70.3 -33.3 -5.6 15.2 -20.4 9 255 A T H X S+ 0 0 99 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.900 113.0 48.6 -70.1 -46.1 -4.8 11.6 -19.4 10 256 A L H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.964 112.9 47.6 -57.8 -53.5 -1.1 12.4 -19.1 11 257 A L H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.898 113.1 46.5 -54.0 -53.2 -1.8 15.5 -17.0 12 258 A H H X S+ 0 0 104 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.866 112.8 51.0 -61.4 -37.0 -4.3 13.7 -14.6 13 259 A F H X S+ 0 0 86 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.885 110.9 47.1 -66.6 -41.8 -1.8 10.8 -14.2 14 260 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.920 112.1 53.1 -65.3 -42.0 1.1 13.2 -13.4 15 261 A M H X S+ 0 0 11 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.855 107.9 49.0 -59.2 -42.7 -1.3 15.0 -10.9 16 262 A D H < S+ 0 0 99 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.918 114.7 44.5 -62.2 -48.9 -2.2 11.8 -9.1 17 263 A S H >< S+ 0 0 6 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.903 113.8 50.2 -63.3 -43.6 1.5 10.7 -8.7 18 264 A Y H >< S+ 0 0 7 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.858 102.9 62.8 -63.1 -35.5 2.5 14.3 -7.6 19 265 A N T 3< S+ 0 0 94 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.590 79.8 81.7 -66.9 -13.9 -0.4 14.2 -5.1 20 266 A K T < S+ 0 0 151 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.2 0.181 76.5 112.1 -76.2 18.6 1.2 11.2 -3.2 21 267 A Q S < S- 0 0 28 -3,-0.7 31,-0.0 1,-0.1 -3,-0.0 -0.651 82.5 -81.9 -98.1 154.5 3.5 13.9 -1.5 22 268 A R - 0 0 58 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.196 56.9-102.6 -52.0 131.4 3.7 15.1 2.1 23 269 A M >> - 0 0 124 1,-0.1 3,-1.1 -3,-0.1 4,-1.0 -0.432 23.2-134.4 -60.5 125.5 1.0 17.7 2.7 24 270 A P H >> S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 3,-0.9 0.902 104.4 60.1 -47.3 -49.2 2.5 21.2 2.7 25 271 A Q H 3> S+ 0 0 125 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.779 97.4 60.0 -49.6 -36.5 0.6 22.2 5.8 26 272 A E H <> S+ 0 0 107 -3,-1.1 4,-1.2 2,-0.2 -1,-0.3 0.933 110.9 41.5 -57.6 -47.3 2.4 19.4 7.7 27 273 A I H - 0 0 47 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.343 38.6-102.0 -74.2 165.5 17.5 25.5 17.5 38 284 A A H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 176,-0.1 0.830 125.6 54.6 -56.6 -30.6 19.8 25.2 14.5 39 285 A E H > S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.863 108.1 44.7 -69.8 -45.5 20.4 21.5 15.7 40 286 A E H > S+ 0 0 97 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.901 115.3 50.1 -67.8 -37.5 16.7 20.6 15.7 41 287 A N H X S+ 0 0 21 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.877 106.1 54.4 -67.9 -40.2 16.2 22.3 12.3 42 288 A F H X S+ 0 0 12 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.891 111.3 46.9 -60.0 -40.5 19.2 20.4 10.8 43 289 A L H X S+ 0 0 119 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.830 110.8 50.2 -68.4 -40.3 17.5 17.2 12.0 44 290 A I H X S+ 0 0 24 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.957 110.6 52.4 -63.3 -45.6 14.1 18.2 10.5 45 291 A L H X S+ 0 0 37 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.907 109.1 47.8 -56.8 -47.9 16.0 19.1 7.2 46 292 A T H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.849 114.3 45.9 -64.3 -35.7 17.6 15.6 7.0 47 293 A E H X S+ 0 0 91 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.905 115.9 45.4 -74.7 -43.0 14.4 13.7 7.7 48 294 A M H X S+ 0 0 35 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.919 115.0 48.4 -61.7 -46.2 12.3 15.8 5.2 49 295 A A H X S+ 0 0 2 -4,-2.8 4,-1.7 -5,-0.3 -2,-0.2 0.850 111.6 49.3 -65.4 -36.0 15.1 15.5 2.6 50 296 A T H X S+ 0 0 20 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.923 114.5 45.1 -68.0 -45.7 15.3 11.7 3.1 51 297 A N H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.885 109.7 56.6 -65.1 -38.2 11.5 11.3 2.7 52 298 A H H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.900 107.4 47.5 -59.0 -44.1 11.6 13.7 -0.3 53 299 A V H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.898 110.7 52.2 -61.4 -46.1 14.1 11.5 -2.2 54 300 A Q H X S+ 0 0 86 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.920 113.8 42.9 -58.7 -46.8 12.0 8.3 -1.4 55 301 A V H X S+ 0 0 27 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.880 112.1 54.4 -65.6 -43.2 8.8 9.9 -2.8 56 302 A L H X S+ 0 0 4 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.919 105.7 52.6 -58.8 -44.9 10.7 11.4 -5.8 57 303 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.928 113.0 44.9 -57.1 -46.0 12.0 7.9 -6.8 58 304 A E H X S+ 0 0 60 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.913 113.6 49.2 -64.5 -43.4 8.4 6.6 -6.7 59 305 A F H >< S+ 0 0 10 -4,-3.1 3,-0.5 1,-0.2 4,-0.2 0.921 113.1 48.4 -59.8 -44.5 7.1 9.6 -8.6 60 306 A T H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.860 104.4 56.9 -64.4 -44.5 9.9 9.1 -11.2 61 307 A K H 3< S+ 0 0 13 -4,-2.2 6,-0.3 1,-0.3 -1,-0.2 0.757 106.3 53.9 -59.9 -24.3 9.3 5.4 -11.7 62 308 A K T << S+ 0 0 79 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.483 79.5 111.9 -86.1 -11.1 5.7 6.3 -12.6 63 309 A L S X S- 0 0 3 -3,-1.7 3,-2.0 -4,-0.2 4,-0.4 -0.505 86.9 -95.9 -67.4 127.2 6.7 8.8 -15.4 64 310 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.265 105.8 3.2 -49.7 123.5 5.6 7.3 -18.8 65 311 A G T >> S+ 0 0 27 -4,-0.1 3,-1.2 -3,-0.1 4,-0.6 0.203 92.3 116.9 88.8 -14.5 8.6 5.5 -20.3 66 312 A F G X4 S+ 0 0 0 -3,-2.0 3,-0.9 1,-0.2 -5,-0.1 0.841 75.6 53.3 -54.4 -40.2 11.1 6.0 -17.4 67 313 A Q G 34 S+ 0 0 112 -4,-0.4 -1,-0.2 -6,-0.3 7,-0.1 0.709 101.4 59.9 -71.3 -17.0 11.4 2.3 -16.8 68 314 A T G <4 S+ 0 0 121 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.587 86.9 100.4 -81.9 -15.0 12.3 1.5 -20.5 69 315 A L S << S- 0 0 10 -3,-0.9 5,-0.1 -4,-0.6 -4,-0.0 -0.337 94.6 -83.0 -67.5 156.0 15.4 3.8 -20.2 70 316 A D > - 0 0 74 1,-0.1 4,-1.7 88,-0.1 3,-0.4 -0.365 41.8-122.8 -57.8 138.3 18.8 2.3 -19.7 71 317 A H H > S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.805 111.5 49.9 -54.3 -41.4 19.3 1.5 -16.0 72 318 A E H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.843 110.4 50.4 -69.9 -31.7 22.4 3.6 -15.6 73 319 A D H > S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.831 105.9 58.1 -71.6 -33.9 20.6 6.5 -17.4 74 320 A Q H X S+ 0 0 3 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.892 109.3 43.1 -61.0 -45.9 17.8 6.0 -14.8 75 321 A I H X S+ 0 0 6 -4,-1.6 4,-3.3 2,-0.2 5,-0.3 0.905 112.4 53.7 -65.9 -44.3 20.2 6.6 -11.9 76 322 A A H X S+ 0 0 13 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.888 110.1 47.2 -61.1 -38.5 21.9 9.5 -13.7 77 323 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.918 116.5 44.0 -66.1 -46.2 18.5 11.3 -14.2 78 324 A L H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 3,-0.5 0.932 116.6 44.9 -65.3 -48.2 17.5 10.7 -10.6 79 325 A K H < S+ 0 0 43 -4,-3.3 4,-0.4 1,-0.2 -2,-0.2 0.881 113.5 52.1 -64.5 -38.9 20.8 11.7 -9.1 80 326 A G H < S+ 0 0 24 -4,-2.2 -1,-0.2 -5,-0.3 4,-0.2 0.701 119.9 32.0 -71.3 -21.1 21.0 14.8 -11.4 81 327 A S H X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.5 5,-0.3 0.620 89.2 92.4-111.1 -19.4 17.6 16.1 -10.4 82 328 A A H X S+ 0 0 2 -4,-1.8 4,-1.5 1,-0.2 -2,-0.1 0.808 92.4 41.4 -50.4 -42.6 17.0 15.1 -6.8 83 329 A V H > S+ 0 0 4 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.883 115.6 50.1 -74.4 -43.4 18.3 18.3 -5.2 84 330 A E H > S+ 0 0 3 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 110.1 51.5 -61.2 -42.9 16.7 20.6 -7.8 85 331 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.894 107.3 54.5 -62.8 -35.6 13.3 18.8 -7.2 86 332 A M H X S+ 0 0 16 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.926 110.9 43.2 -62.3 -45.7 13.8 19.4 -3.5 87 333 A F H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.837 112.5 53.8 -68.9 -35.3 14.2 23.2 -3.9 88 334 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.934 111.6 44.3 -67.2 -42.5 11.4 23.4 -6.4 89 335 A R H X S+ 0 0 25 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.886 113.4 51.4 -65.5 -38.5 9.1 21.6 -3.9 90 336 A S H X S+ 0 0 39 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.913 109.9 50.3 -64.4 -40.3 10.4 24.0 -1.1 91 337 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.911 110.2 50.2 -62.3 -44.1 9.7 27.0 -3.4 92 338 A E H < S+ 0 0 6 -4,-2.3 4,-0.3 2,-0.2 3,-0.2 0.941 113.0 45.3 -58.3 -53.2 6.1 25.7 -3.9 93 339 A I H >< S+ 0 0 17 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.884 111.2 54.4 -58.9 -41.4 5.5 25.2 -0.2 94 340 A F H 3< S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.9 45.7 -61.3 -39.8 7.0 28.7 0.5 95 341 A N T 3< S+ 0 0 59 -4,-1.8 -1,-0.2 -3,-0.2 2,-0.2 0.288 81.6 118.9 -92.9 10.1 4.7 30.5 -1.9 96 342 A K S < S- 0 0 91 -3,-1.1 2,-0.2 -4,-0.3 35,-0.0 -0.569 77.9-102.0 -72.9 136.2 1.5 28.7 -0.7 97 343 A K - 0 0 209 -2,-0.2 -1,-0.1 5,-0.0 -2,-0.1 -0.463 48.2-179.9 -65.3 126.9 -1.0 31.4 0.7 98 344 A L - 0 0 42 -2,-0.2 5,-0.2 1,-0.2 3,-0.1 -0.812 35.8 -75.6-121.5 165.6 -1.0 31.5 4.4 99 345 A P S > S- 0 0 80 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.106 79.1 -55.7 -54.5 161.1 -2.9 33.6 7.1 100 346 A S T 3 S- 0 0 125 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.066 123.9 -1.3 -42.5 131.2 -1.8 37.3 7.6 101 347 A G T 3> S+ 0 0 39 -3,-0.1 4,-1.6 1,-0.1 -1,-0.3 0.463 99.8 112.3 62.9 6.6 1.9 37.6 8.5 102 348 A H H <> S+ 0 0 71 -3,-2.2 4,-3.4 2,-0.2 5,-0.2 0.897 75.4 49.4 -74.2 -40.8 2.5 33.8 8.5 103 349 A S H > S+ 0 0 39 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.790 109.7 54.4 -68.8 -26.6 4.7 33.8 5.4 104 350 A D H > S+ 0 0 111 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.929 113.1 42.1 -67.2 -47.2 6.7 36.6 7.1 105 351 A L H X S+ 0 0 51 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.908 114.4 50.3 -66.5 -44.9 7.1 34.3 10.1 106 352 A L H X S+ 0 0 2 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.933 113.1 47.8 -58.5 -43.1 7.8 31.2 7.9 107 353 A E H X S+ 0 0 60 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.883 112.5 47.4 -65.8 -39.9 10.4 33.3 6.1 108 354 A A H X S+ 0 0 23 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.894 112.3 51.7 -68.2 -40.6 12.0 34.6 9.5 109 355 A R H < S+ 0 0 28 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.935 112.2 43.8 -61.1 -48.0 12.0 31.0 10.8 110 356 A I H >< S+ 0 0 35 -4,-2.5 3,-1.6 1,-0.2 5,-0.4 0.898 111.3 55.3 -64.2 -41.4 13.8 29.6 7.6 111 357 A R H 3< S+ 0 0 100 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.879 116.4 37.1 -57.0 -42.4 16.3 32.6 7.7 112 358 A N T 3< S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 -0.040 85.9 106.6-101.1 27.7 17.3 31.7 11.3 113 359 A S S < S- 0 0 11 -3,-1.6 -72,-0.2 -72,-0.1 -1,-0.2 0.653 103.5 -91.1 -79.7 -16.7 17.1 27.9 10.9 114 360 A G S S+ 0 0 10 1,-0.4 99,-2.4 -3,-0.4 -2,-0.1 0.126 81.6 138.3 123.6 -16.1 20.9 27.5 10.9 115 361 A I - 0 0 11 -5,-0.4 -1,-0.4 97,-0.2 97,-0.1 -0.310 61.3 -99.8 -58.0 143.4 21.6 27.8 7.2 116 362 A S > - 0 0 3 92,-0.3 3,-1.4 1,-0.1 4,-0.4 -0.339 24.5-119.1 -67.8 148.3 24.7 30.0 6.3 117 363 A D G >> S+ 0 0 77 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.764 108.1 66.2 -57.3 -36.4 24.3 33.6 5.3 118 364 A E G 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 90,-0.0 0.707 106.6 43.1 -60.7 -22.2 25.9 33.1 1.8 119 365 A Y G <> S+ 0 0 25 -3,-1.4 4,-1.5 2,-0.1 -1,-0.2 0.506 95.1 79.0-103.8 -8.1 22.9 30.9 0.8 120 366 A I H <> S+ 0 0 8 -3,-0.9 4,-3.0 -4,-0.4 5,-0.2 0.948 94.7 42.3 -65.4 -60.4 20.0 32.9 2.2 121 367 A T H X S+ 0 0 97 -4,-0.7 4,-3.5 2,-0.2 5,-0.3 0.942 115.3 48.1 -57.3 -55.9 19.7 35.6 -0.5 122 368 A P H > S+ 0 0 60 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.920 115.9 47.2 -53.5 -43.9 20.1 33.2 -3.6 123 369 A M H X S+ 0 0 14 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.935 117.7 38.8 -61.2 -53.9 17.5 30.8 -1.9 124 370 A F H X S+ 0 0 14 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.826 114.2 56.3 -69.0 -28.7 15.0 33.5 -1.1 125 371 A S H X S+ 0 0 50 -4,-3.5 4,-2.8 -5,-0.2 -2,-0.2 0.934 112.7 42.8 -65.4 -43.6 15.7 35.2 -4.5 126 372 A F H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.963 113.8 48.8 -67.1 -49.4 14.9 31.9 -6.2 127 373 A Y H X S+ 0 0 11 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.846 115.2 47.3 -58.0 -37.1 11.8 31.2 -4.0 128 374 A K H X S+ 0 0 144 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.920 108.0 53.0 -67.8 -48.2 10.6 34.8 -4.8 129 375 A S H X S+ 0 0 20 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.898 112.2 48.7 -54.1 -39.9 11.3 34.5 -8.5 130 376 A I H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 5,-0.4 0.893 108.0 51.7 -63.6 -49.9 9.1 31.3 -8.3 131 377 A G H >< S+ 0 0 17 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.721 99.9 65.7 -61.5 -24.3 6.3 33.1 -6.4 132 378 A E H 3< S+ 0 0 142 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.816 96.5 55.1 -67.0 -34.9 6.2 35.9 -9.1 133 379 A L T << S- 0 0 14 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.484 97.5-143.3 -75.9 -10.1 5.0 33.4 -11.8 134 380 A K < - 0 0 175 -3,-0.9 -3,-0.1 -4,-0.2 -2,-0.1 0.894 27.3-159.3 40.8 63.0 2.0 32.4 -9.5 135 381 A M - 0 0 17 -5,-0.4 2,-0.1 1,-0.1 -1,-0.1 -0.365 9.1-129.5 -72.2 150.2 2.2 28.8 -10.7 136 382 A T > - 0 0 43 -2,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.482 28.9-105.8 -91.6 169.3 -0.6 26.3 -10.4 137 383 A Q H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.757 123.9 53.7 -62.0 -32.5 -0.3 22.8 -8.8 138 384 A E H > S+ 0 0 46 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.806 108.2 50.8 -70.3 -34.7 -0.4 21.3 -12.4 139 385 A E H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.938 110.4 47.6 -71.5 -43.1 2.5 23.6 -13.3 140 386 A Y H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.891 114.6 48.1 -58.8 -43.3 4.5 22.5 -10.3 141 387 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.949 115.2 42.6 -66.0 -52.0 3.8 18.8 -11.1 142 388 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 113.5 52.4 -60.9 -44.5 4.7 19.1 -14.8 143 389 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.883 108.1 52.0 -61.9 -38.1 7.8 21.2 -14.1 144 390 A T H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.947 111.6 46.1 -61.5 -47.8 9.1 18.6 -11.5 145 391 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.892 112.7 50.2 -62.5 -38.5 8.6 15.8 -14.2 146 392 A I H < S+ 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.867 109.9 51.3 -66.7 -37.7 10.4 18.1 -16.8 147 393 A V H >< S+ 0 0 0 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.904 112.2 46.5 -64.0 -46.7 13.3 18.7 -14.3 148 394 A I H 3< S+ 0 0 0 -4,-2.2 2,-0.7 1,-0.2 -2,-0.2 0.934 112.0 49.8 -61.4 -49.3 13.7 14.9 -13.7 149 395 A L T 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 17,-0.2 -0.159 75.1 145.8 -86.3 40.3 13.6 14.0 -17.5 150 396 A S < - 0 0 6 -3,-0.9 3,-0.4 -2,-0.7 13,-0.1 -0.704 32.9-165.4 -79.6 115.0 16.2 16.6 -18.5 151 397 A P S S+ 0 0 10 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.676 79.5 70.8 -77.1 -13.4 18.2 15.0 -21.3 152 398 A D S S+ 0 0 87 10,-0.1 2,-0.2 -3,-0.0 -2,-0.1 -0.331 73.7 120.1 -98.4 47.6 21.0 17.5 -21.0 153 399 A R S S- 0 0 17 -2,-0.5 3,-0.4 -3,-0.4 2,-0.4 -0.432 71.0 -93.1 -95.0-179.1 22.3 16.1 -17.7 154 400 A Q S S+ 0 0 147 1,-0.2 3,-0.1 -78,-0.2 -74,-0.1 -0.785 105.9 22.5 -98.4 143.2 25.8 14.8 -17.1 155 401 A Y S S+ 0 0 189 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.403 83.0 139.2 81.9 1.9 26.5 11.0 -17.5 156 402 A I - 0 0 13 -3,-0.4 -1,-0.3 1,-0.2 3,-0.2 -0.679 28.2-178.6 -77.8 127.5 23.5 10.6 -19.7 157 403 A K S S+ 0 0 134 -2,-0.4 2,-0.9 1,-0.2 -1,-0.2 0.890 74.4 40.2 -92.0 -54.9 24.5 8.2 -22.5 158 404 A D > + 0 0 89 1,-0.2 4,-0.9 2,-0.1 3,-0.2 -0.732 64.9 164.7-103.1 88.3 21.3 8.0 -24.6 159 405 A R H > S+ 0 0 114 -2,-0.9 4,-2.5 1,-0.2 3,-0.2 0.831 70.9 60.7 -70.0 -39.8 19.9 11.6 -24.7 160 406 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.831 101.3 55.0 -61.9 -32.6 17.5 11.2 -27.5 161 407 A A H > S+ 0 0 27 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.889 111.0 44.9 -64.5 -39.5 15.6 8.5 -25.5 162 408 A V H >X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.2 3,-1.0 0.928 109.9 55.5 -68.5 -47.2 15.2 11.1 -22.6 163 409 A E H 3X S+ 0 0 80 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.893 103.1 56.3 -50.7 -49.4 14.2 13.9 -25.1 164 410 A K H 3< S+ 0 0 144 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.773 111.7 42.4 -54.8 -35.0 11.3 11.6 -26.4 165 411 A L H << S+ 0 0 34 -3,-1.0 4,-0.5 -4,-0.8 -1,-0.2 0.799 115.7 47.8 -82.7 -32.3 9.9 11.3 -22.8 166 412 A Q H >X S+ 0 0 27 -4,-2.0 4,-2.2 -17,-0.2 3,-0.6 0.853 98.4 70.0 -76.6 -38.6 10.4 15.0 -21.8 167 413 A E H 3X S+ 0 0 106 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.886 96.0 50.3 -50.4 -50.9 8.8 16.5 -25.1 168 414 A P H 3> S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.829 111.8 49.9 -60.9 -28.9 5.1 15.4 -24.3 169 415 A L H <> S+ 0 0 3 -3,-0.6 4,-2.6 -4,-0.5 -2,-0.2 0.937 110.3 48.7 -73.4 -43.8 5.4 17.0 -20.9 170 416 A L H X S+ 0 0 36 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.889 111.5 51.8 -57.5 -44.1 6.8 20.3 -22.3 171 417 A D H X S+ 0 0 76 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.905 111.9 44.2 -61.9 -44.8 3.9 20.2 -24.9 172 418 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.904 115.0 49.7 -65.1 -45.2 1.2 19.8 -22.2 173 419 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.946 108.0 53.1 -61.1 -46.6 2.8 22.4 -20.0 174 420 A Q H X S+ 0 0 68 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.887 109.5 48.9 -53.4 -44.6 3.0 24.9 -22.9 175 421 A K H < S+ 0 0 47 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.908 110.0 50.9 -62.8 -45.9 -0.7 24.5 -23.6 176 422 A L H >X S+ 0 0 12 -4,-2.2 4,-3.2 1,-0.2 3,-1.3 0.895 110.3 50.5 -57.4 -43.4 -1.6 25.0 -19.9 177 423 A C H 3X S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.3 -1,-0.2 0.865 104.9 56.0 -61.1 -41.4 0.6 28.2 -19.9 178 424 A K H 3< S+ 0 0 102 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.245 119.3 34.5 -76.9 13.2 -1.2 29.5 -23.0 179 425 A I H <4 S+ 0 0 82 -3,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.602 113.8 50.9-128.6 -54.9 -4.5 29.2 -21.0 180 426 A H H < S+ 0 0 68 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.694 130.6 22.5 -61.1 -22.4 -3.7 30.0 -17.3 181 427 A Q >< + 0 0 29 -4,-1.3 3,-1.6 -5,-0.3 6,-0.3 -0.355 59.6 156.2-146.6 65.6 -2.1 33.2 -18.7 182 428 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.848 87.1 55.2 -59.5 -28.9 -3.2 34.5 -22.2 183 429 A E T 3 S+ 0 0 143 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.603 104.3 56.6 -74.7 -19.3 -2.0 38.0 -21.0 184 430 A N X + 0 0 53 -3,-1.6 3,-1.9 -7,-0.2 4,-0.3 -0.788 59.5 168.1-114.3 81.5 1.5 36.5 -20.2 185 431 A P T 3 S+ 0 0 102 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.404 81.0 59.2 -72.2 4.1 2.6 35.0 -23.6 186 432 A Q T 3> S+ 0 0 122 -5,-0.1 4,-2.8 2,-0.1 5,-0.1 0.265 76.2 97.5-111.2 4.4 6.0 34.7 -21.9 187 433 A H H <> S+ 0 0 0 -3,-1.9 4,-2.5 -6,-0.3 5,-0.2 0.921 83.1 48.0 -63.2 -48.2 4.7 32.5 -19.0 188 434 A F H > S+ 0 0 30 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.958 115.3 46.5 -57.8 -49.3 5.8 29.2 -20.6 189 435 A A H > S+ 0 0 53 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.874 111.1 50.2 -62.1 -41.9 9.3 30.7 -21.3 190 436 A C H X S+ 0 0 48 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.939 108.0 53.9 -64.1 -40.2 9.7 32.3 -17.8 191 437 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.3 -2,-0.2 0.935 112.8 44.4 -54.5 -45.8 8.8 28.8 -16.2 192 438 A L H X S+ 0 0 55 -4,-2.1 4,-0.7 1,-0.2 -1,-0.3 0.802 109.2 57.7 -68.3 -29.3 11.6 27.3 -18.4 193 439 A G H >X S+ 0 0 27 -4,-1.9 4,-1.0 1,-0.2 3,-0.9 0.903 100.7 55.5 -67.1 -41.7 13.8 30.3 -17.4 194 440 A R H >X S+ 0 0 46 -4,-2.6 4,-2.1 1,-0.2 3,-0.5 0.891 96.8 65.3 -58.1 -39.1 13.4 29.4 -13.7 195 441 A L H 3X S+ 0 0 22 -4,-1.3 4,-1.4 1,-0.3 -1,-0.2 0.820 100.2 52.5 -53.2 -32.0 14.7 25.8 -14.5 196 442 A T H < S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.903 95.5 61.7 -61.0 -42.6 17.4 26.1 -10.2 199 445 A R H >X S+ 0 0 67 -4,-1.4 3,-1.3 1,-0.3 4,-0.6 0.791 92.7 66.5 -56.1 -27.9 20.5 24.4 -11.7 200 446 A T H XX S+ 0 0 67 -3,-0.6 3,-0.7 -4,-0.6 4,-0.6 0.799 90.0 63.8 -64.1 -29.0 22.6 27.1 -9.8 201 447 A F H <4 S+ 0 0 9 -3,-1.8 4,-0.3 -4,-0.5 -1,-0.3 0.658 93.8 63.8 -69.0 -16.6 21.4 25.5 -6.5 202 448 A N H X4 S+ 0 0 38 -3,-1.3 3,-0.9 -4,-0.4 4,-0.3 0.844 88.1 68.9 -70.4 -40.2 23.3 22.3 -7.6 203 449 A H H << S+ 0 0 132 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.873 117.2 18.2 -49.9 -43.9 26.7 24.1 -7.5 204 450 A H T 3X S+ 0 0 88 -4,-0.6 4,-1.7 1,-0.1 -1,-0.2 0.127 84.4 117.0-119.2 20.2 26.7 24.5 -3.7 205 451 A H H <> S+ 0 0 21 -3,-0.9 4,-1.2 -4,-0.3 5,-0.1 0.872 81.0 49.6 -54.9 -44.5 24.1 21.9 -2.4 206 452 A A H >> S+ 0 0 16 -4,-0.3 4,-2.3 1,-0.2 3,-0.7 0.952 113.0 47.5 -60.3 -47.6 26.8 19.9 -0.5 207 453 A E H 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.736 103.2 63.0 -65.3 -27.8 28.2 23.1 1.1 208 454 A M H 3< S+ 0 0 7 -4,-1.7 -92,-0.3 2,-0.2 -1,-0.2 0.852 111.3 37.4 -67.3 -35.9 24.7 24.3 2.1 209 455 A L H X< S+ 0 0 7 -4,-1.2 3,-1.1 -3,-0.7 -2,-0.2 0.897 117.5 51.5 -79.7 -42.0 24.3 21.2 4.3 210 456 A M H 3< S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.768 108.0 50.3 -66.1 -33.2 28.0 21.3 5.5 211 457 A S T 3< S+ 0 0 31 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.1 0.358 78.0 129.6 -89.0 5.2 28.0 25.0 6.6 212 458 A W S < S- 0 0 25 -3,-1.1 2,-2.4 1,-0.1 -97,-0.2 -0.380 75.2-106.1 -60.0 139.5 24.8 24.6 8.7 213 459 A R S S+ 0 0 115 -99,-2.4 2,-0.3 2,-0.0 -1,-0.1 -0.356 81.7 110.2 -71.8 64.7 25.5 26.1 12.1 214 460 A V S 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C I H >< S+ 0 0 19 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.898 109.4 56.6 -57.6 -47.6 14.6 45.8 39.5 339 340 C F H 3< S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 109.9 46.2 -54.5 -34.5 10.9 46.7 38.9 340 341 C N H << S+ 0 0 50 -4,-1.2 2,-0.3 -3,-0.5 -1,-0.2 0.505 80.4 115.7 -92.9 -7.8 10.8 44.0 36.2 341 342 C K S << S- 0 0 66 -3,-1.1 35,-0.0 -4,-0.6 -3,-0.0 -0.500 79.2-104.2 -64.8 122.8 12.5 41.2 38.1 342 343 C K - 0 0 207 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.1 -0.223 47.3-179.9 -54.6 133.9 9.9 38.4 38.5 343 344 C L - 0 0 52 1,-0.2 3,-0.1 -3,-0.1 5,-0.1 -0.874 36.5 -73.7-130.0 167.3 8.5 38.1 42.0 344 345 C P S >> S- 0 0 79 0, 0.0 3,-1.0 0, 0.0 4,-0.6 -0.091 76.2 -68.8 -54.9 161.7 5.9 35.9 43.9 345 346 C S T 34 S+ 0 0 127 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.354 119.3 8.2 -62.6 132.0 2.2 36.7 43.0 346 347 C G T 3> S+ 0 0 41 -3,-0.1 4,-2.3 -2,-0.1 -1,-0.2 -0.009 100.8 99.4 88.9 -26.3 0.9 40.1 44.1 347 348 C H H <> S+ 0 0 77 -3,-1.0 4,-3.1 1,-0.2 5,-0.2 0.875 81.9 51.4 -56.6 -43.5 4.4 41.3 45.3 348 349 C S 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-1,-0.2 -4,-0.6 -2,-0.2 0.482 94.7-145.3 -72.7 -3.4 11.2 44.2 25.9 379 380 C K < - 0 0 156 -3,-1.1 -3,-0.1 1,-0.1 -2,-0.1 0.791 27.4-168.9 39.1 42.4 11.9 41.1 28.2 380 381 C M - 0 0 16 -5,-0.5 -1,-0.1 1,-0.1 2,-0.1 -0.254 14.3-130.9 -60.5 144.3 15.6 42.1 28.3 381 382 C T > - 0 0 48 1,-0.1 4,-1.5 0, 0.0 3,-0.3 -0.369 31.2 -98.9 -84.6 173.0 18.1 39.7 29.7 382 383 C Q H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.866 124.4 55.9 -61.5 -40.0 20.7 40.8 32.3 383 384 C E H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.825 105.0 53.5 -59.6 -37.9 23.4 41.2 29.5 384 385 C E H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.868 107.0 49.5 -69.5 -37.8 21.1 43.6 27.6 385 386 C Y H X S+ 0 0 9 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.859 112.7 49.3 -65.5 -38.5 20.6 45.9 30.7 386 387 C A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.921 114.8 42.5 -68.5 -46.2 24.4 45.9 31.1 387 388 C L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.928 115.1 50.1 -65.6 -46.3 25.1 46.7 27.5 388 389 C L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 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0.892 102.2 56.6 -52.2 -49.0 31.4 57.3 19.4 409 410 C K H 3< S+ 0 0 139 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.820 110.8 44.9 -54.1 -35.6 34.3 54.9 18.8 410 411 C L H S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.838 112.5 53.8 -61.5 -29.0 31.5 48.0 19.7 414 415 C L H X S+ 0 0 4 -4,-0.5 4,-2.8 -3,-0.4 -2,-0.2 0.896 107.0 49.7 -72.6 -35.7 28.9 48.0 22.4 415 416 C L H X S+ 0 0 40 -4,-2.1 4,-3.0 -3,-0.3 -1,-0.2 0.884 108.7 54.2 -66.8 -40.1 26.0 48.7 20.0 416 417 C D H X S+ 0 0 82 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.932 111.8 43.8 -58.3 -48.5 27.3 45.9 17.7 417 418 C V H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.951 113.5 50.4 -64.5 -49.3 27.1 43.4 20.7 418 419 C L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.937 110.6 50.4 -55.3 -46.8 23.7 44.7 21.8 419 420 C Q H X S+ 0 0 69 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.878 109.5 50.0 -58.1 -42.0 22.3 44.4 18.2 420 421 C K H X S+ 0 0 30 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.921 109.3 51.9 -64.7 -39.9 23.6 40.7 17.9 421 422 C L H X S+ 0 0 3 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.878 107.0 53.6 -62.3 -39.5 22.0 39.8 21.2 422 423 C C H X S+ 0 0 5 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.881 110.3 46.1 -62.8 -41.9 18.7 41.3 20.1 423 424 C K H < S+ 0 0 96 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.870 116.7 46.6 -67.4 -38.5 18.8 39.1 16.9 424 425 C I H < S+ 0 0 74 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.935 119.9 35.9 -68.0 -51.5 19.8 36.0 19.0 425 426 C H H < S+ 0 0 78 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.721 135.8 17.8 -79.4 -28.2 17.1 36.5 21.8 426 427 C Q >< + 0 0 34 -4,-1.9 3,-0.7 -5,-0.2 6,-0.3 -0.467 69.7 154.7-139.3 57.4 14.1 37.8 19.9 427 428 C P T 3 S+ 0 0 40 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.717 74.8 60.4 -61.9 -20.3 14.9 36.9 16.2 428 429 C E T 3 S+ 0 0 96 1,-0.2 3,-0.1 -3,-0.1 -320,-0.1 0.852 101.0 55.3 -71.7 -40.6 11.2 36.9 15.5 429 430 C N X + 0 0 69 -3,-0.7 3,-1.3 -7,-0.2 -1,-0.2 -0.820 64.8 174.5 -95.8 91.6 10.9 40.6 16.5 430 431 C P T 3 S+ 0 0 99 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.614 76.1 65.6 -75.0 -11.2 13.5 42.3 14.2 431 432 C Q T 3> S+ 0 0 123 1,-0.2 4,-1.9 2,-0.1 5,-0.1 0.263 74.2 99.0 -89.3 9.8 12.4 45.7 15.5 432 433 C H H <> S+ 0 0 3 -3,-1.3 4,-2.0 -6,-0.3 -1,-0.2 0.920 78.4 50.4 -62.8 -47.1 13.7 44.7 19.0 433 434 C F H > S+ 0 0 29 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.918 112.2 45.2 -58.7 -50.1 17.0 46.6 18.6 434 435 C A H > S+ 0 0 56 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.858 108.6 57.9 -64.6 -34.3 15.4 49.9 17.5 435 436 C C H X S+ 0 0 59 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.915 107.0 49.2 -60.7 -41.0 12.8 49.6 20.2 436 437 C L H >X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 3,-0.6 0.894 109.5 51.7 -62.3 -44.1 15.8 49.5 22.7 437 438 C L H >X S+ 0 0 62 -4,-1.8 4,-0.6 1,-0.2 3,-0.5 0.846 104.6 55.1 -64.2 -34.1 17.4 52.5 21.2 438 439 C G H 3X S+ 0 0 37 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.733 97.2 66.8 -68.9 -25.8 14.1 54.5 21.4 439 440 C R H X S+ 0 0 67 -4,-1.6 3,-1.0 1,-0.2 4,-0.7 0.884 107.9 57.2 -64.7 -39.6 12.5 58.2 26.6 443 444 C L H 3X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 3,-0.4 0.809 96.3 63.8 -58.4 -39.3 15.1 57.9 29.4 444 445 C R H 3X S+ 0 0 135 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.742 91.1 66.2 -60.9 -28.1 16.4 61.4 28.6 445 446 C T H < S+ 0 0 31 -4,-1.0 3,-0.8 1,-0.2 4,-0.3 0.910 102.3 56.3 -57.1 -42.6 16.9 63.4 33.3 448 449 C H H 3< S+ 0 0 136 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.888 117.8 30.6 -56.6 -47.7 15.3 66.7 32.3 449 450 C H H 3X S+ 0 0 74 -4,-1.3 4,-2.2 1,-0.2 3,-0.4 0.316 84.7 113.4 -99.2 9.3 12.9 67.0 35.2 450 451 C H H S+ 0 0 21 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.885 113.9 44.1 -57.7 -42.2 15.7 68.2 40.2 452 453 C E H > S+ 0 0 81 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.865 108.9 59.4 -68.6 -37.5 11.9 69.1 40.3 453 454 C M H < S+ 0 0 9 -4,-2.2 -92,-0.3 1,-0.2 -2,-0.2 0.848 115.1 34.7 -57.4 -41.1 11.2 65.3 40.9 454 455 C L H >< S+ 0 0 12 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.787 115.7 54.5 -85.1 -36.0 13.3 65.4 44.1 455 456 C M H 3< S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.651 106.9 52.0 -75.0 -17.0 12.4 69.0 45.2 456 457 C S T 3< S+ 0 0 44 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 0.289 78.1 131.1-100.7 7.3 8.7 68.2 45.1 457 458 C W S < S- 0 0 21 -3,-0.9 2,-2.9 1,-0.2 -97,-0.2 -0.384 77.8-102.2 -60.3 136.9 9.0 65.1 47.3 458 459 C R S S+ 0 0 144 -99,-3.0 2,-0.3 -175,-0.0 -174,-0.2 -0.340 89.6 101.1 -67.9 65.9 6.4 65.3 50.0 459 460 C V - 0 0 16 -2,-2.9 3,-0.1 -4,-0.1 -100,-0.0 -0.974 68.2-140.2-147.2 150.0 8.9 66.4 52.7 460 461 C N S S+ 0 0 156 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.844 92.7 54.9 -78.8 -38.1 9.8 69.7 54.3 461 462 C D - 0 0 109 2,-0.1 2,-0.8 1,-0.0 -1,-0.2 -0.895 60.3-171.4-106.4 120.1 13.6 68.9 54.3 462 463 C H + 0 0 39 -2,-0.5 2,-0.6 -3,-0.1 13,-0.1 -0.785 18.1 173.5-110.4 82.8 15.4 68.0 51.1 463 464 C K + 0 0 167 -2,-0.8 2,-0.2 0, 0.0 -172,-0.1 -0.853 3.1 177.2 -96.7 114.8 18.9 66.9 52.5 464 465 C F - 0 0 22 -2,-0.6 -176,-0.0 11,-0.3 -173,-0.0 -0.544 30.7-107.2-107.0 172.9 21.2 65.4 49.9 465 466 C T > - 0 0 41 -2,-0.2 4,-2.0 -174,-0.1 5,-0.1 -0.610 31.1-110.7 -93.4 164.5 24.8 64.3 50.3 466 467 C P H > S+ 0 0 98 0, 0.0 4,-1.0 0, 0.0 14,-0.1 0.857 120.9 53.7 -64.3 -32.2 27.7 66.3 48.8 467 468 C L H > S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.894 110.1 46.3 -66.2 -41.5 28.3 63.4 46.2 468 469 C L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 6,-0.2 0.835 107.0 59.2 -67.7 -33.0 24.6 63.7 45.1 469 470 C C H <>S+ 0 0 42 -4,-2.0 5,-0.6 1,-0.2 -1,-0.2 0.780 108.3 45.7 -65.3 -30.4 24.9 67.6 45.0 470 471 C E H <5S+ 0 0 22 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.802 119.9 38.0 -78.1 -39.1 27.6 67.2 42.4 471 472 C I H <5S+ 0 0 4 -4,-1.3 2,-0.3 -5,-0.1 -143,-0.3 0.725 119.0 44.6 -87.7 -31.0 25.8 64.5 40.2 472 473 C W T <5S- 0 0 4 -4,-2.6 2,-1.8 -5,-0.1 -148,-0.0 -0.775 95.6-109.3-108.4 156.1 22.3 65.8 40.4 473 474 C D T 5S+ 0 0 102 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 -0.519 78.0 118.7 -91.2 70.7 21.6 69.5 40.0 474 475 C V < 0 0 14 -2,-1.8 -2,-0.1 -5,-0.6 -23,-0.0 -0.886 360.0 360.0-130.0 162.3 20.7 70.0 43.7 475 476 C Q 0 0 208 -2,-0.3 -11,-0.3 -13,-0.1 -13,-0.0 -0.893 360.0 360.0-112.0 360.0 21.9 72.0 46.8 476 !* 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 0.0 477 745 D D 0 0 156 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.1 32.9 72.1 40.3 478 746 D H > + 0 0 31 1,-0.2 4,-1.0 2,-0.1 5,-0.1 -0.882 360.0 161.6-112.2 97.6 33.0 68.3 41.0 479 747 D Q H > S+ 0 0 158 -2,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.914 78.4 44.1 -79.7 -47.2 35.7 67.4 43.6 480 748 D L H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.828 110.5 55.6 -69.6 -35.9 34.4 63.9 44.6 481 749 D L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 109.1 47.0 -63.4 -45.7 33.7 62.9 41.0 482 750 D R H X S+ 0 0 78 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.867 113.2 50.0 -63.5 -39.0 37.4 63.6 40.1 483 751 D Y H X S+ 0 0 149 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.932 110.6 47.5 -66.0 -47.6 38.5 61.7 43.1 484 752 D L H < S+ 0 0 27 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.823 115.7 47.2 -61.7 -34.2 36.4 58.6 42.4 485 753 D L H < S+ 0 0 2 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.865 116.6 40.8 -73.8 -42.5 37.5 58.6 38.8 486 754 D D H < S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.713 91.1 101.6 -83.5 -24.7 41.2 59.0 39.5 487 755 D K < 0 0 61 -4,-2.1 -3,-0.0 -5,-0.2 -4,-0.0 -0.138 360.0 360.0 -59.9 158.5 41.6 56.7 42.5 488 756 D D 0 0 177 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.528 360.0 360.0 75.4 360.0 43.1 53.1 42.0