==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/INHIBITOR 13-OCT-10 3P89 . COMPND 2 MOLECULE: FARNESOID X RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.MADAUSS,S.P.WILLIAMS,D.N.DEATON . 234 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 74.8 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 2 1 0 0 2 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 1 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 P > 0 0 156 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 41.5 101.8 148.4 104.5 2 248 A D T 3 - 0 0 109 1,-0.3 3,-0.0 2,-0.1 2,-0.0 0.871 360.0 -7.8 -44.9 -56.1 99.1 151.0 104.9 3 249 A Q T > S+ 0 0 163 1,-0.0 3,-1.1 2,-0.0 -1,-0.3 -0.522 77.8 155.6-139.9 71.1 100.8 153.3 102.4 4 250 A Q T X> + 0 0 40 -3,-1.2 4,-1.0 1,-0.2 3,-0.8 0.337 50.8 99.7 -77.2 6.1 104.2 151.7 101.7 5 251 A T H 3> S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.819 72.4 64.2 -59.3 -31.9 104.2 153.5 98.4 6 252 A L H <> S+ 0 0 32 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.843 98.1 54.4 -61.9 -33.1 106.5 156.1 100.0 7 253 A L H <> S+ 0 0 17 -3,-0.8 4,-2.4 2,-0.2 5,-0.3 0.848 101.3 61.8 -65.0 -35.6 109.1 153.3 100.4 8 254 A H H X S+ 0 0 62 -4,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.953 110.4 35.5 -54.1 -56.1 108.7 152.7 96.6 9 255 A F H X S+ 0 0 76 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.660 112.2 61.4 -80.6 -15.7 110.0 156.2 95.6 10 256 A I H X S+ 0 0 0 -4,-1.2 4,-3.1 2,-0.2 -1,-0.2 0.915 110.3 40.5 -69.1 -46.0 112.5 156.3 98.5 11 257 A M H X S+ 0 0 23 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.821 114.2 54.3 -69.0 -32.6 114.2 153.2 97.0 12 258 A D H X S+ 0 0 115 -4,-1.7 4,-0.9 -5,-0.3 -2,-0.2 0.926 113.9 41.5 -62.0 -46.3 113.7 154.8 93.6 13 259 A S H X S+ 0 0 13 -4,-2.4 4,-1.1 2,-0.2 3,-0.4 0.906 112.1 54.8 -65.6 -43.9 115.5 157.9 95.0 14 260 A Y H < S+ 0 0 27 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.781 117.5 36.3 -63.0 -29.4 118.1 155.8 96.8 15 261 A N H < S+ 0 0 91 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.546 105.7 74.9 -95.9 -10.8 119.0 154.1 93.5 16 262 A K H < S+ 0 0 71 -4,-0.9 2,-0.4 -3,-0.4 -2,-0.2 0.990 88.3 52.3 -67.8 -65.6 118.5 157.2 91.3 17 263 A Q S < S+ 0 0 29 -4,-1.1 2,-0.3 34,-0.2 -1,-0.1 -0.617 74.5 172.5 -79.0 130.0 121.6 159.3 92.1 18 264 A R - 0 0 72 -2,-0.4 -3,-0.1 0, 0.0 3,-0.0 -0.983 37.2-108.0-143.7 148.2 124.8 157.3 91.6 19 265 A M - 0 0 46 -2,-0.3 2,-0.1 1,-0.1 25,-0.0 -0.604 46.3-109.9 -74.3 127.9 128.6 157.8 91.6 20 266 A P >> - 0 0 68 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.366 17.9-130.6 -62.0 138.1 130.0 157.5 88.0 21 267 A Q H 3> S+ 0 0 138 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.842 106.6 61.5 -58.0 -35.9 132.1 154.4 87.5 22 268 A E H 34 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.820 108.6 43.2 -61.7 -31.5 134.9 156.5 85.9 23 269 A I H X4 S+ 0 0 29 -3,-1.2 3,-1.1 2,-0.2 4,-0.3 0.903 114.8 46.4 -81.6 -44.8 135.2 158.3 89.2 24 270 A T H >X S+ 0 0 11 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.752 98.1 73.0 -70.7 -23.2 135.0 155.3 91.6 25 271 A N H >X S+ 0 0 56 -4,-2.3 4,-3.0 1,-0.2 3,-0.6 0.743 83.2 71.2 -58.4 -24.8 137.5 153.4 89.4 26 272 A K H <> S+ 0 0 61 -3,-1.1 4,-1.9 -4,-0.3 -1,-0.2 0.794 83.6 67.5 -63.6 -30.4 140.2 155.7 90.8 27 273 A I H <4 S+ 0 0 5 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.914 118.0 24.4 -53.9 -43.8 139.9 153.9 94.1 28 274 A L H << S+ 0 0 96 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.866 125.0 50.3 -81.8 -44.9 141.4 150.9 92.4 29 275 A K H < S+ 0 0 167 -4,-3.0 -3,-0.2 2,-0.0 -2,-0.2 0.767 92.0 79.3 -78.2 -33.2 143.3 152.4 89.5 30 276 A E S < S- 0 0 62 -4,-1.9 7,-0.0 1,-0.2 6,-0.0 -0.306 87.0 -81.8 -85.7 160.8 145.4 155.2 91.0 31 277 A E - 0 0 127 1,-0.1 2,-0.8 -2,-0.1 -1,-0.2 -0.146 40.2-125.1 -46.1 144.8 148.7 155.2 92.8 32 278 A F + 0 0 94 4,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.882 57.3 124.0-102.6 103.0 148.7 154.4 96.6 33 279 A S S > S- 0 0 31 -2,-0.8 4,-2.9 75,-0.1 5,-0.2 -0.954 71.9-102.9-147.5 162.1 150.3 157.2 98.5 34 280 A A H > S+ 0 0 47 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.887 120.4 45.4 -53.0 -44.2 149.2 159.4 101.4 35 281 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 115.6 43.3 -70.6 -49.5 148.6 162.4 99.0 36 282 A E H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.871 112.0 55.5 -63.7 -37.6 146.8 160.5 96.3 37 283 A N H X S+ 0 0 2 -4,-2.9 4,-2.5 71,-0.2 -1,-0.2 0.948 109.4 47.0 -58.4 -49.5 144.7 158.6 98.9 38 284 A F H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.911 111.9 50.3 -57.8 -45.5 143.6 162.0 100.4 39 285 A L H X S+ 0 0 87 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.890 111.2 48.1 -63.4 -40.7 142.8 163.4 96.9 40 286 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.941 112.0 49.1 -66.6 -45.0 140.7 160.4 95.9 41 287 A L H X S+ 0 0 36 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.892 111.1 50.7 -58.6 -41.9 138.8 160.4 99.2 42 288 A T H X S+ 0 0 17 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.914 111.2 47.9 -62.0 -44.7 138.1 164.2 98.7 43 289 A E H X S+ 0 0 51 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.914 112.2 49.1 -63.0 -43.3 136.8 163.6 95.2 44 290 A M H X S+ 0 0 20 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.941 113.8 47.2 -59.4 -47.1 134.6 160.7 96.4 45 291 A A H X S+ 0 0 16 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.906 112.1 47.5 -62.1 -46.6 133.2 162.9 99.3 46 292 A T H X S+ 0 0 18 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.873 115.2 46.5 -68.7 -34.8 132.5 166.0 97.1 47 293 A N H X S+ 0 0 30 -4,-2.1 4,-1.7 -5,-0.2 3,-0.4 0.916 110.9 52.6 -67.9 -43.1 130.8 163.8 94.5 48 294 A H H X S+ 0 0 27 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.841 100.9 60.7 -64.0 -33.7 128.8 162.0 97.2 49 295 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.896 105.6 48.8 -58.1 -39.4 127.6 165.3 98.6 50 296 A Q H X S+ 0 0 89 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.2 0.877 111.1 48.6 -68.6 -38.8 126.0 166.0 95.2 51 297 A V H X S+ 0 0 29 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.932 111.2 52.4 -62.8 -45.9 124.4 162.5 95.2 52 298 A L H X S+ 0 0 10 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.900 106.9 51.3 -53.2 -48.3 123.2 163.3 98.8 53 299 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.921 110.5 48.7 -61.0 -44.0 121.6 166.6 97.8 54 300 A E H X S+ 0 0 46 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.794 112.7 48.6 -66.5 -30.3 119.7 164.9 94.9 55 301 A F H X S+ 0 0 11 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.929 111.9 48.4 -71.2 -47.5 118.5 162.1 97.3 56 302 A T H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.895 108.0 55.4 -59.4 -44.3 117.4 164.7 99.9 57 303 A K H 3< S+ 0 0 67 -4,-2.6 6,-0.5 1,-0.2 5,-0.3 0.906 106.4 50.8 -52.4 -46.9 115.5 166.7 97.3 58 304 A K H 3< S+ 0 0 43 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.652 86.7 113.1 -70.9 -16.1 113.5 163.6 96.3 59 305 A L S X< S- 0 0 4 -3,-0.9 3,-2.0 -4,-0.8 4,-0.4 -0.218 87.5 -77.5 -60.6 148.2 112.5 162.9 99.9 60 306 A P T 3 S- 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.242 107.7 -17.6 -54.7 111.9 108.8 163.2 100.8 61 307 A G T 3 S+ 0 0 38 -3,-0.2 4,-0.3 -2,-0.2 -3,-0.1 0.725 91.3 131.3 66.6 26.0 108.0 166.9 101.2 62 308 A F S X S+ 0 0 2 -3,-2.0 3,-1.3 -5,-0.3 -5,-0.1 0.905 72.8 52.6 -70.6 -42.2 111.6 168.1 101.6 63 309 A Q T 3 S+ 0 0 76 -6,-0.5 -1,-0.2 -4,-0.4 -6,-0.1 0.665 101.5 60.9 -69.2 -18.6 111.1 170.9 99.0 64 310 A T T 3 S+ 0 0 123 2,-0.1 -1,-0.3 3,-0.0 -2,-0.2 0.616 89.4 98.3 -80.1 -13.4 108.0 172.2 100.9 65 311 A L S < S- 0 0 24 -3,-1.3 2,-0.1 -4,-0.3 5,-0.1 -0.188 93.1 -74.3 -71.4 165.2 110.2 172.8 104.0 66 312 A D > - 0 0 80 87,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.378 43.5-129.4 -59.8 134.9 111.6 176.2 105.0 67 313 A H H > S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.861 102.6 43.4 -59.4 -44.8 114.6 177.1 102.8 68 314 A E H > S+ 0 0 146 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.741 111.5 54.2 -80.9 -21.7 117.2 177.9 105.4 69 315 A D H > S+ 0 0 28 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.749 100.2 62.9 -75.6 -27.0 116.3 174.9 107.6 70 316 A Q H X S+ 0 0 8 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.907 105.4 45.5 -59.9 -43.3 116.9 172.8 104.4 71 317 A I H X S+ 0 0 17 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.928 109.2 55.9 -62.1 -47.2 120.5 174.0 104.5 72 318 A A H X S+ 0 0 12 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.844 109.9 45.9 -54.9 -38.3 120.6 173.3 108.3 73 319 A L H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.898 111.9 50.1 -73.1 -42.6 119.6 169.7 107.7 74 320 A L H X S+ 0 0 4 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.915 115.0 44.3 -60.8 -44.1 122.0 169.1 104.8 75 321 A K H < S+ 0 0 37 -4,-2.8 4,-0.4 1,-0.2 3,-0.2 0.838 113.3 51.3 -69.3 -34.9 124.9 170.5 106.8 76 322 A G H < S+ 0 0 22 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.2 0.789 116.9 36.6 -74.3 -29.4 123.9 168.5 109.9 77 323 A S H X S+ 0 0 1 -4,-1.8 4,-3.1 67,-0.1 5,-0.2 0.432 88.6 97.0-103.2 -2.0 123.6 165.1 108.3 78 324 A A H X S+ 0 0 2 -4,-0.7 4,-1.9 -3,-0.2 5,-0.2 0.945 89.3 38.2 -58.9 -57.6 126.5 165.3 105.8 79 325 A V H > S+ 0 0 13 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.931 119.0 49.3 -58.7 -47.7 129.2 163.5 107.8 80 326 A E H > S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.877 109.9 50.7 -61.5 -41.0 126.7 160.9 109.2 81 327 A A H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.845 110.9 49.3 -66.3 -34.1 125.2 160.2 105.7 82 328 A M H X S+ 0 0 27 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.870 110.0 50.4 -73.3 -39.3 128.8 159.6 104.3 83 329 A F H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.904 112.4 48.6 -60.2 -41.3 129.7 157.3 107.2 84 330 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.941 113.4 44.6 -67.5 -47.7 126.4 155.4 106.6 85 331 A R H X S+ 0 0 72 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.897 114.6 48.9 -63.6 -41.8 127.0 155.0 102.8 86 332 A S H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.885 108.9 54.4 -65.1 -38.0 130.6 154.1 103.3 87 333 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.914 106.5 52.1 -56.0 -45.2 129.5 151.5 105.9 88 334 A E H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 6,-0.3 0.867 107.4 52.2 -61.7 -39.3 127.2 150.1 103.3 89 335 A I H X>S+ 0 0 25 -4,-1.8 4,-1.3 2,-0.2 5,-1.1 0.966 115.1 40.4 -61.1 -53.9 130.0 149.8 100.8 90 336 A F H <5S+ 0 0 29 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.878 118.3 48.3 -61.0 -41.4 132.2 147.9 103.3 91 337 A N H <5S+ 0 0 45 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.925 123.7 29.1 -68.9 -46.6 129.3 145.8 104.6 92 338 A K H <5S- 0 0 85 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.492 100.5-129.6 -92.2 -5.6 127.8 144.7 101.2 93 339 A K T <5 - 0 0 95 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.915 26.3-153.5 54.2 47.7 131.2 144.8 99.4 94 340 A L >>< - 0 0 59 -5,-1.1 3,-1.9 -6,-0.3 4,-0.7 -0.318 10.1-135.3 -52.8 120.9 129.7 146.9 96.6 95 341 A P G >4 S+ 0 0 107 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.899 103.2 49.6 -50.2 -50.2 131.9 146.1 93.6 96 342 A S G 34 S+ 0 0 46 1,-0.3 -69,-0.2 2,-0.1 -2,-0.1 0.541 102.4 64.7 -71.9 -5.1 132.2 149.7 92.5 97 343 A G G <4 S- 0 0 4 -3,-1.9 -1,-0.3 -8,-0.1 5,-0.2 0.665 86.8-153.8 -83.0 -20.6 133.2 150.7 96.0 98 344 A H XX - 0 0 40 -3,-1.6 4,-3.0 -4,-0.7 3,-0.8 0.916 16.8-170.1 47.4 55.3 136.4 148.6 95.8 99 345 A S H 3> S+ 0 0 12 -5,-0.4 4,-2.8 1,-0.3 5,-0.2 0.766 73.4 51.6 -56.7 -41.0 136.2 148.2 99.6 100 346 A D H 3> S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.906 117.9 40.1 -63.3 -39.3 139.6 146.6 100.3 101 347 A L H <> S+ 0 0 49 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.864 112.2 55.4 -78.0 -35.9 141.3 149.4 98.3 102 348 A L H X S+ 0 0 12 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.934 109.1 49.9 -56.9 -44.3 139.0 152.1 99.7 103 349 A E H X S+ 0 0 53 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.916 106.2 54.1 -61.2 -45.8 140.1 150.9 103.1 104 350 A E H < S+ 0 0 114 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.896 111.1 47.3 -51.4 -42.3 143.8 151.0 102.2 105 351 A R H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.890 111.2 48.7 -72.7 -39.6 143.3 154.7 101.2 106 352 A I H >< S+ 0 0 13 -4,-2.3 3,-0.7 1,-0.2 5,-0.4 0.898 109.3 54.5 -64.2 -39.4 141.4 155.6 104.3 107 353 A R T 3< S+ 0 0 123 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.492 116.2 38.1 -75.9 -3.8 144.1 154.0 106.5 108 354 A N T < S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.3 -71,-0.2 -0.424 85.8 95.8-143.6 63.7 146.8 156.1 104.8 109 355 A S S < S- 0 0 2 -3,-0.7 -2,-0.1 -72,-0.1 -1,-0.1 0.133 106.7 -83.2-134.3 17.6 145.3 159.5 104.2 110 356 A G S S+ 0 0 46 1,-0.3 2,-0.3 -3,-0.1 -3,-0.1 0.564 81.2 144.2 89.8 11.5 146.6 161.4 107.3 111 357 A I - 0 0 27 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.669 51.6-114.7 -86.7 136.0 143.8 160.2 109.7 112 358 A S >> - 0 0 56 -2,-0.3 4,-2.1 1,-0.1 3,-1.6 -0.336 16.7-123.1 -65.0 147.9 144.8 159.6 113.4 113 359 A D H 3> S+ 0 0 128 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.827 111.7 69.5 -57.1 -34.2 144.7 156.0 114.7 114 360 A E H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.2 85,-0.0 0.773 109.9 31.7 -53.2 -32.1 142.3 157.5 117.4 115 361 A Y H <> S+ 0 0 23 -3,-1.6 4,-1.6 2,-0.1 -2,-0.2 0.754 113.7 59.2 -99.6 -32.4 139.7 158.0 114.6 116 362 A I H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.908 101.9 57.2 -60.0 -42.6 140.5 155.0 112.4 117 363 A T H X S+ 0 0 98 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.949 112.2 35.7 -61.7 -56.0 139.9 152.6 115.2 118 364 A P H > S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.794 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384 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.875 112.3 52.1 -72.7 -39.2 115.5 154.5 105.4 139 385 A L H X S+ 0 0 4 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.893 110.9 49.3 -60.2 -41.6 118.2 155.1 108.0 140 386 A T H X S+ 0 0 8 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.932 112.6 46.8 -62.8 -47.1 119.8 157.6 105.6 141 387 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.885 114.5 47.6 -60.4 -40.8 116.5 159.3 105.0 142 388 A I H < S+ 0 0 4 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.924 111.0 50.7 -67.3 -46.7 115.9 159.4 108.8 143 389 A V H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.884 110.5 49.7 -55.1 -44.6 119.4 160.7 109.6 144 390 A I H 3< S+ 0 0 0 -4,-2.2 2,-1.0 1,-0.3 -1,-0.2 0.917 108.7 52.7 -64.6 -43.9 118.9 163.5 107.0 145 391 A L T 3< S+ 0 0 1 -4,-1.9 -1,-0.3 -5,-0.2 16,-0.1 -0.311 76.9 150.2 -91.0 51.2 115.5 164.6 108.4 146 392 A S X - 0 0 4 -2,-1.0 3,-0.8 -3,-0.7 -70,-0.1 -0.750 37.0-157.5 -85.6 125.3 116.7 164.9 112.0 147 393 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.582 84.7 68.3 -74.5 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110.9 168.1 110.3 158 405 A E H X S+ 0 0 20 -4,-2.0 4,-1.8 2,-0.1 3,-1.5 0.929 99.6 63.5 -81.3 -50.9 110.7 161.9 109.6 162 409 A E H 3X S+ 0 0 94 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.850 97.2 57.8 -48.3 -47.1 108.2 159.9 111.7 163 410 A P H 3> S+ 0 0 55 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.872 109.7 46.9 -49.4 -38.5 106.5 158.3 108.7 164 411 A L H <> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.4 -2,-0.2 0.860 109.2 52.7 -72.8 -39.3 109.9 156.9 107.8 165 412 A L H X S+ 0 0 23 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.879 109.1 51.3 -61.4 -38.6 110.7 155.8 111.3 166 413 A D H X S+ 0 0 92 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.898 108.4 50.3 -65.8 -42.5 107.3 153.9 111.3 167 414 A V H X S+ 0 0 25 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.886 113.7 45.7 -63.6 -39.2 108.2 152.2 107.9 168 415 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.909 110.6 53.8 -68.1 -43.8 111.6 151.1 109.4 169 416 A Q H X S+ 0 0 101 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.903 111.8 46.0 -52.8 -45.3 109.8 150.0 112.6 170 417 A K H X S+ 0 0 55 -4,-2.4 4,-1.6 1,-0.2 5,-0.2 0.928 106.8 55.3 -67.9 -47.9 107.5 147.8 110.5 171 418 A L H X S+ 0 0 28 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.752 106.8 52.9 -60.8 -26.0 110.1 146.2 108.3 172 419 A C H X S+ 0 0 6 -4,-1.4 4,-1.0 2,-0.2 3,-0.3 0.923 114.3 40.5 -70.9 -47.5 112.0 145.1 111.4 173 420 A K H < S+ 0 0 76 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.627 121.5 46.2 -72.7 -15.2 108.8 143.4 112.7 174 421 A I H < S+ 0 0 61 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.519 125.9 26.3-104.4 -11.9 108.1 142.2 109.2 175 422 A H H < S+ 0 0 134 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.2 0.167 128.9 36.6-138.0 19.0 111.6 140.9 108.3 176 423 A Q >< + 0 0 40 -4,-1.0 3,-0.7 2,-0.0 6,-0.2 -0.296 60.0 155.7-161.9 68.1 113.1 140.0 111.7 177 424 A P T 3 S+ 0 0 114 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 0.752 71.6 61.6 -70.5 -24.4 110.3 138.5 113.8 178 425 A E T 3 S+ 0 0 148 1,-0.2 -5,-0.1 2,-0.0 -2,-0.0 0.684 104.2 50.3 -77.2 -20.4 112.8 136.6 116.0 179 426 A N X + 0 0 62 -3,-0.7 3,-0.8 -7,-0.2 -1,-0.2 -0.888 53.6 171.4-124.3 101.9 114.6 139.7 117.3 180 427 A P T 3 S+ 0 0 103 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.143 80.1 65.1 -92.1 16.0 112.3 142.5 118.6 181 428 A Q T 3> S+ 0 0 132 2,-0.1 4,-1.9 3,-0.1 5,-0.1 0.208 78.2 91.4-109.8 8.1 115.4 144.4 119.9 182 429 A H H <> S+ 0 0 5 -3,-0.8 4,-2.0 2,-0.2 5,-0.1 0.856 82.6 48.8 -76.8 -38.9 116.5 144.8 116.3 183 430 A F H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 113.7 48.4 -64.6 -44.8 114.8 148.2 115.7 184 431 A A H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.879 106.9 58.2 -59.1 -40.8 116.3 149.4 118.9 185 432 A E H X S+ 0 0 32 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.940 106.2 47.5 -53.4 -52.0 119.7 148.0 117.7 186 433 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.4 0.928 111.0 50.2 -56.4 -50.7 119.6 150.2 114.6 187 434 A L H X S+ 0 0 62 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.803 107.0 56.6 -60.2 -33.0 118.7 153.4 116.6 188 435 A G H X S+ 0 0 41 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.880 103.2 53.2 -64.5 -39.6 121.6 152.6 118.9 189 436 A R H X S+ 0 0 86 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.779 100.7 62.2 -67.8 -26.7 124.0 152.6 116.0 190 437 A L H X S+ 0 0 18 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.912 101.8 50.5 -63.8 -42.7 122.7 156.1 115.0 191 438 A T H X S+ 0 0 102 -4,-1.2 4,-1.1 1,-0.2 3,-0.4 0.903 109.3 51.1 -58.8 -41.8 123.9 157.4 118.4 192 439 A E H < S+ 0 0 48 -4,-1.5 4,-0.4 1,-0.2 3,-0.3 0.862 105.6 57.5 -60.9 -35.9 127.3 155.8 117.6 193 440 A L H >< S+ 0 0 1 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.812 99.0 58.3 -62.0 -33.8 127.0 157.6 114.2 194 441 A R H >X S+ 0 0 69 -4,-1.4 3,-1.9 -3,-0.4 4,-0.6 0.828 91.9 70.7 -67.2 -33.7 126.8 161.0 116.1 195 442 A T H 3X S+ 0 0 70 -4,-1.1 4,-1.2 -3,-0.3 3,-0.3 0.752 89.3 62.8 -51.7 -29.3 130.1 160.3 117.7 196 443 A F H <> S+ 0 0 1 -3,-1.0 4,-2.8 -4,-0.4 -1,-0.3 0.603 84.4 74.1 -80.8 -10.9 131.8 160.8 114.3 197 444 A N H <> S+ 0 0 55 -3,-1.9 4,-1.9 -4,-0.2 -1,-0.2 0.952 103.6 39.8 -61.2 -48.3 130.8 164.5 114.1 198 445 A H H X S+ 0 0 66 -4,-0.6 4,-1.8 -3,-0.3 -2,-0.2 0.910 115.8 51.4 -66.7 -43.7 133.3 165.4 116.7 199 446 A H H X S+ 0 0 39 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.945 110.4 49.3 -57.6 -48.1 135.9 163.0 115.3 200 447 A H H X S+ 0 0 21 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.844 106.3 55.0 -62.3 -38.8 135.5 164.5 111.8 201 448 A A H X S+ 0 0 50 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.889 111.6 45.6 -61.1 -38.9 135.8 168.1 113.0 202 449 A E H X S+ 0 0 108 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.843 110.0 53.8 -71.4 -36.1 139.2 167.1 114.5 203 450 A M H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.927 108.8 49.4 -62.6 -45.1 140.2 165.2 111.4 204 451 A L H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.892 109.3 52.2 -60.1 -42.8 139.5 168.4 109.3 205 452 A M H X S+ 0 0 111 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.937 110.9 47.0 -58.2 -49.3 141.6 170.5 111.7 206 453 A S H X S+ 0 0 48 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.937 113.6 47.8 -59.1 -49.8 144.5 168.1 111.4 207 454 A W H <>S+ 0 0 22 -4,-2.6 5,-1.8 1,-0.2 -1,-0.2 0.874 111.7 51.3 -57.9 -40.3 144.3 168.0 107.6 208 455 A R H ><5S+ 0 0 102 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.883 107.3 50.3 -68.8 -40.7 144.0 171.8 107.5 209 456 A V H 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.721 108.4 55.6 -72.6 -20.2 147.1 172.5 109.6 210 457 A N T 3<5S- 0 0 104 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.032 126.7 -99.7 -97.8 28.4 149.1 170.1 107.4 211 458 A D T < 5S+ 0 0 132 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.878 71.6 146.1 58.9 46.4 148.1 172.1 104.3 212 459 A H < - 0 0 31 -5,-1.8 2,-0.3 -8,-0.2 -1,-0.2 -0.927 26.6-166.8-103.4 138.2 145.2 170.0 102.9 213 460 A K - 0 0 144 -2,-0.4 2,-0.1 1,-0.1 -5,-0.0 -0.838 3.1-155.0-116.8 162.9 142.4 171.9 101.2 214 461 A F - 0 0 22 -2,-0.3 -1,-0.1 10,-0.1 -171,-0.0 -0.186 32.8 -72.8-115.5-156.7 139.0 170.5 100.2 215 462 A T > - 0 0 28 -173,-0.1 4,-3.1 -2,-0.1 5,-0.2 -0.722 38.7-111.8-102.1 159.5 136.5 171.4 97.6 216 463 A P H > S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.893 119.0 50.4 -51.1 -42.2 134.2 174.5 97.6 217 464 A L H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 113.9 42.0 -65.9 -49.3 131.2 172.3 98.1 218 465 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 6,-0.3 0.898 111.8 56.9 -62.1 -41.6 132.7 170.3 101.0 219 466 A E H <>S+ 0 0 55 -4,-3.1 5,-2.1 1,-0.2 4,-0.3 0.850 111.4 43.6 -58.6 -35.6 134.0 173.6 102.4 220 467 A E H ><5S+ 0 0 23 -4,-1.7 3,-0.8 -5,-0.2 -2,-0.2 0.946 115.6 44.9 -73.7 -50.7 130.5 175.0 102.4 221 468 A I H 3<5S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -143,-0.2 0.782 122.8 37.3 -70.3 -26.9 128.7 171.9 103.8 222 469 A W T 3<5S- 0 0 36 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.373 109.5-118.4-102.2 1.9 131.4 171.3 106.6 223 470 A D T < 5 0 0 117 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.858 360.0 360.0 62.9 39.5 132.0 175.1 107.3 224 471 A V < 0 0 47 -5,-2.1 -1,-0.2 -6,-0.3 -10,-0.1 -0.535 360.0 360.0 -86.5 360.0 135.7 175.0 106.3 225 !* 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 0.0 226 745 B D 0 0 134 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.7 125.7 182.4 103.0 227 746 B H > + 0 0 52 1,-0.1 4,-1.8 2,-0.1 3,-0.2 -0.530 360.0 156.5-123.3 64.0 125.4 178.8 101.6 228 747 B Q H > + 0 0 149 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 66.6 51.6 -60.7 -48.0 125.2 179.6 97.8 229 748 B L H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 110.5 48.6 -63.9 -38.8 126.4 176.3 96.4 230 749 B L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 111.8 50.2 -65.8 -42.5 123.9 174.2 98.4 231 750 B R H X S+ 0 0 57 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.947 109.0 52.7 -57.0 -49.0 121.1 176.5 97.3 232 751 B Y H X S+ 0 0 160 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.880 110.4 46.7 -55.3 -43.0 122.2 176.2 93.7 233 752 B L H < S+ 0 0 37 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.857 112.4 50.5 -69.5 -36.2 122.1 172.3 93.9 234 753 B L H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 113.9 44.0 -65.9 -42.0 118.7 172.4 95.6 235 754 B D H < 0 0 110 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.678 360.0 360.0 -79.7 -20.1 117.2 174.7 92.9 236 755 B K < 0 0 100 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.652 360.0 360.0 -71.8 360.0 118.7 172.9 90.0