==== 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/TRANSCRITION ACTIVATOR 23-FEB-09 3GD2 . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.MADAUSS,S.P.WILLIAMS,D.N.DEATON,G.B.WISELY,R.B.MCFADYEN . 238 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 76.5 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 . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 1 0 0 0 2 0 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 1 244 A G 0 0 108 0, 0.0 2,-0.3 0, 0.0 174,-0.0 0.000 360.0 360.0 360.0 136.7 100.0 143.9 28.3 2 245 A S - 0 0 63 1,-0.1 169,-0.0 172,-0.0 0, 0.0 -0.658 360.0-123.8 -89.4 141.5 100.8 147.2 26.5 3 246 A T > - 0 0 63 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.331 19.3-118.5 -77.3 161.3 98.1 149.7 25.5 4 247 A P H > S+ 0 0 112 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.797 117.9 53.9 -69.2 -26.1 97.6 150.9 21.9 5 248 A D H 4 S+ 0 0 140 2,-0.2 4,-0.4 1,-0.2 -3,-0.0 0.742 114.0 41.2 -79.2 -25.5 98.3 154.4 23.1 6 249 A Q H >> S+ 0 0 55 2,-0.1 4,-1.7 1,-0.1 3,-0.7 0.834 109.3 61.1 -78.9 -39.6 101.6 153.2 24.7 7 250 A Q H 3X S+ 0 0 49 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.841 99.7 54.3 -58.3 -38.7 102.2 151.0 21.6 8 251 A T H 3X S+ 0 0 62 -4,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.847 106.3 54.7 -61.2 -35.2 102.4 154.0 19.3 9 252 A L H <> S+ 0 0 39 -3,-0.7 4,-2.6 -4,-0.4 -2,-0.2 0.936 108.0 46.1 -64.7 -51.1 105.0 155.5 21.6 10 253 A L H X S+ 0 0 35 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.917 113.1 48.4 -61.4 -47.8 107.4 152.6 21.5 11 254 A H H X S+ 0 0 62 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.947 112.4 50.6 -58.8 -47.4 107.2 152.2 17.7 12 255 A F H X S+ 0 0 96 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.918 114.7 43.2 -52.9 -49.5 107.8 156.0 17.3 13 256 A I H X S+ 0 0 6 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.930 115.5 46.4 -67.7 -47.6 110.8 155.9 19.6 14 257 A M H X S+ 0 0 20 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.865 113.7 51.2 -61.9 -36.9 112.3 152.7 18.1 15 258 A D H X S+ 0 0 111 -4,-2.8 4,-0.9 -5,-0.3 -2,-0.2 0.930 113.3 44.2 -63.3 -47.4 111.7 154.2 14.6 16 259 A S H < S+ 0 0 7 -4,-2.7 3,-0.4 -5,-0.2 -2,-0.2 0.903 112.9 52.4 -62.1 -43.6 113.4 157.4 15.7 17 260 A Y H >< S+ 0 0 30 -4,-3.3 3,-0.6 1,-0.2 -2,-0.2 0.911 113.0 43.4 -60.3 -45.1 116.3 155.5 17.3 18 261 A N H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.619 93.9 83.7 -75.5 -14.8 116.9 153.4 14.1 19 262 A K T 3< S+ 0 0 59 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.2 0.196 89.3 53.2 -79.9 18.3 116.6 156.5 11.8 20 263 A Q < + 0 0 28 -3,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.862 58.5 173.9-156.9 120.0 120.3 157.5 12.4 21 264 A R - 0 0 83 -2,-0.3 3,-0.1 33,-0.0 -3,-0.0 -0.808 39.3 -97.2-117.3 161.7 123.5 155.5 11.9 22 265 A M - 0 0 54 -2,-0.3 25,-0.0 1,-0.1 5,-0.0 -0.675 47.1-102.0 -81.1 128.5 127.2 156.6 12.2 23 266 A P > - 0 0 38 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.121 19.2-136.2 -43.5 137.5 128.9 157.4 8.8 24 267 A Q H > S+ 0 0 52 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.935 102.5 66.2 -62.8 -47.6 131.2 154.7 7.6 25 268 A E H 4 S+ 0 0 131 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.758 107.9 39.3 -43.1 -35.9 133.8 157.3 6.7 26 269 A I H >4 S+ 0 0 17 -3,-0.5 3,-1.4 2,-0.1 4,-0.3 0.926 118.2 45.6 -81.8 -51.4 134.2 158.1 10.4 27 270 A T H >< S+ 0 0 11 -4,-1.9 3,-1.0 1,-0.3 4,-0.4 0.718 101.8 68.8 -66.2 -22.8 134.0 154.5 11.7 28 271 A N G >X S+ 0 0 80 -4,-3.5 4,-2.7 1,-0.2 3,-0.8 0.732 86.7 68.4 -63.9 -24.7 136.4 153.4 8.9 29 272 A K G <4 S+ 0 0 55 -3,-1.4 4,-0.4 -5,-0.3 -1,-0.2 0.713 87.3 65.4 -70.8 -20.8 139.2 155.3 10.7 30 273 A I G <4 S+ 0 0 1 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.815 115.0 31.8 -63.9 -31.9 139.0 152.8 13.6 31 274 A L T <4 S+ 0 0 105 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.931 127.0 33.8 -89.6 -59.4 140.3 150.3 11.0 32 275 A K S < S+ 0 0 81 -4,-2.7 -3,-0.2 2,-0.0 -2,-0.1 0.955 94.7 84.0 -69.9 -58.8 142.5 152.2 8.6 33 276 A E 0 0 89 -4,-0.4 7,-0.0 -5,-0.2 6,-0.0 0.238 360.0 360.0 -57.1 168.0 144.3 155.0 10.5 34 277 A E 0 0 83 5,-0.0 -1,-0.1 6,-0.0 -2,-0.0 -0.116 360.0 360.0 -67.0 360.0 147.6 154.9 12.5 35 ! 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 36 279 A S > 0 0 84 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 153.5 149.3 157.2 17.7 37 280 A A H > + 0 0 52 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.806 360.0 55.0 -65.4 -29.5 147.7 158.3 21.0 38 281 A E H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 109.5 45.8 -67.3 -43.4 147.0 161.6 19.2 39 282 A E H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.936 110.2 52.2 -66.3 -48.8 145.2 159.9 16.4 40 283 A N H X S+ 0 0 14 -4,-2.4 4,-2.0 71,-0.3 -1,-0.2 0.929 112.5 46.5 -53.9 -47.7 143.1 157.6 18.6 41 284 A F H X S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.931 110.4 52.4 -58.8 -48.9 142.0 160.7 20.6 42 285 A L H X S+ 0 0 48 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.855 108.3 51.8 -58.3 -37.6 141.2 162.7 17.5 43 286 A I H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 3,-0.4 0.940 107.8 50.4 -65.1 -48.8 139.0 159.8 16.1 44 287 A L H X S+ 0 0 35 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.893 108.8 53.7 -55.2 -42.1 137.0 159.6 19.4 45 288 A T H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.857 105.0 54.5 -58.3 -36.9 136.5 163.4 19.1 46 289 A E H X S+ 0 0 67 -4,-1.5 4,-1.4 -3,-0.4 -1,-0.2 0.815 111.6 43.8 -70.2 -29.1 135.1 162.9 15.6 47 290 A M H X S+ 0 0 27 -4,-1.4 4,-2.8 -3,-0.3 -2,-0.2 0.843 109.8 55.6 -84.0 -37.2 132.6 160.4 16.8 48 291 A A H X S+ 0 0 17 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.935 110.0 47.0 -55.4 -49.5 131.6 162.5 19.8 49 292 A T H X S+ 0 0 25 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.933 112.8 48.7 -60.6 -46.2 130.9 165.4 17.5 50 293 A N H X S+ 0 0 20 -4,-1.4 4,-1.6 1,-0.2 3,-0.5 0.901 108.5 54.1 -61.8 -40.9 128.9 163.1 15.2 51 294 A H H X S+ 0 0 27 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.740 98.1 62.9 -68.6 -25.4 126.9 161.6 18.1 52 295 A V H X S+ 0 0 2 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.910 106.2 46.8 -61.1 -40.2 125.8 165.1 19.3 53 296 A Q H X S+ 0 0 80 -4,-1.1 4,-2.5 -3,-0.5 -2,-0.2 0.905 110.6 50.6 -69.8 -44.4 124.0 165.5 16.0 54 297 A V H X S+ 0 0 33 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.942 111.8 49.9 -51.4 -51.2 122.4 162.1 16.2 55 298 A L H X S+ 0 0 8 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.899 108.8 50.5 -59.6 -47.3 121.2 162.9 19.7 56 299 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.929 112.1 47.5 -55.6 -48.2 119.7 166.2 18.7 57 300 A E H X S+ 0 0 100 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.841 114.8 46.8 -65.3 -35.5 117.8 164.6 15.8 58 301 A F H X S+ 0 0 12 -4,-2.3 4,-1.1 -5,-0.2 3,-0.4 0.956 111.5 50.8 -65.7 -52.6 116.6 161.9 18.2 59 302 A T H < S+ 0 0 0 -4,-3.4 3,-0.4 1,-0.3 -2,-0.2 0.837 105.2 55.9 -58.1 -39.0 115.6 164.4 20.9 60 303 A K H < S+ 0 0 19 -4,-2.3 6,-0.4 1,-0.2 -1,-0.3 0.911 109.0 48.2 -58.5 -41.3 113.6 166.5 18.4 61 304 A K H < S+ 0 0 78 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.628 83.3 109.2 -78.7 -14.7 111.6 163.3 17.6 62 305 A L S >< S- 0 0 3 -4,-1.1 3,-1.7 -3,-0.4 4,-0.4 -0.504 87.3-102.6 -58.1 125.1 111.1 162.5 21.3 63 306 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.325 98.1 6.2 -63.8 124.4 107.3 163.3 21.7 64 307 A G T 3> S+ 0 0 32 -4,-0.2 4,-0.5 -2,-0.1 3,-0.3 0.382 94.5 111.8 91.1 -2.7 106.5 166.6 23.5 65 308 A F T X4 + 0 0 0 -3,-1.7 3,-1.3 -6,-0.2 -5,-0.1 0.900 69.7 58.3 -67.3 -41.2 110.1 167.8 23.6 66 309 A Q T 34 S+ 0 0 118 -4,-0.4 -1,-0.2 -6,-0.4 7,-0.1 0.725 98.7 59.5 -70.9 -21.2 109.7 170.7 21.1 67 310 A T T 34 S+ 0 0 122 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.761 86.4 104.8 -72.2 -28.4 107.0 172.3 23.2 68 311 A L S << S- 0 0 9 -3,-1.3 5,-0.1 -4,-0.5 -3,-0.0 -0.122 91.4 -76.1 -58.4 151.6 109.4 172.6 26.1 69 312 A D >> - 0 0 85 1,-0.1 4,-2.6 88,-0.1 3,-1.1 -0.211 40.0-129.3 -47.3 124.9 111.0 176.0 27.1 70 313 A H H 3> S+ 0 0 97 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.855 111.6 50.1 -48.2 -40.3 113.8 176.7 24.6 71 314 A E H 3> S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.773 110.5 50.0 -72.5 -26.8 116.2 177.3 27.5 72 315 A D H <> S+ 0 0 2 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.845 103.1 60.8 -74.0 -37.0 115.1 174.0 29.1 73 316 A Q H X S+ 0 0 7 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.891 106.2 46.0 -58.3 -41.9 115.7 172.1 25.8 74 317 A I H X S+ 0 0 16 -4,-1.3 4,-2.9 -5,-0.2 3,-0.4 0.927 109.9 54.2 -66.0 -46.3 119.4 173.2 25.8 75 318 A A H X S+ 0 0 12 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.839 107.4 51.2 -56.0 -37.2 119.8 172.2 29.5 76 319 A L H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.805 113.2 44.9 -71.6 -32.7 118.5 168.7 28.8 77 320 A L H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.4 3,-0.2 0.891 114.6 46.7 -77.5 -45.0 120.9 168.2 25.9 78 321 A K H < S+ 0 0 43 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.926 114.3 46.8 -63.6 -45.6 123.9 169.5 27.7 79 322 A G H < S+ 0 0 24 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.685 121.1 36.9 -70.5 -19.7 123.3 167.5 30.9 80 323 A S H X S+ 0 0 0 -4,-0.6 4,-2.4 -3,-0.2 3,-0.3 0.618 87.7 91.7-109.1 -19.7 122.6 164.2 29.0 81 324 A A H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.912 89.1 46.0 -43.4 -65.2 125.1 164.2 26.1 82 325 A V H > S+ 0 0 7 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.842 113.8 51.0 -49.2 -42.0 128.0 162.3 27.8 83 326 A E H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.930 108.1 49.7 -65.8 -47.0 125.6 159.8 29.2 84 327 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.858 109.5 53.8 -59.1 -34.5 123.9 159.0 25.9 85 328 A M H X S+ 0 0 31 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.839 105.8 52.5 -68.9 -35.7 127.4 158.5 24.4 86 329 A F H X S+ 0 0 12 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.855 111.9 46.6 -63.8 -38.5 128.2 156.0 27.1 87 330 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.898 110.3 50.8 -72.2 -43.4 125.1 154.1 26.3 88 331 A R H X S+ 0 0 71 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.943 112.9 45.9 -62.0 -48.3 125.6 154.1 22.5 89 332 A S H X S+ 0 0 29 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.971 111.9 52.7 -54.9 -53.6 129.1 152.8 22.8 90 333 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.913 108.7 50.0 -47.7 -51.3 127.9 150.2 25.3 91 334 A E H X S+ 0 0 14 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.907 112.7 47.5 -54.3 -45.4 125.3 149.0 22.8 92 335 A I H < S+ 0 0 35 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.965 115.2 42.8 -64.2 -55.5 127.9 148.8 20.1 93 336 A F H < S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.766 120.1 44.9 -59.4 -27.9 130.5 146.9 22.2 94 337 A N H < 0 0 54 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.773 360.0 360.0 -90.1 -30.6 127.8 144.6 23.6 95 338 A K < 0 0 79 -4,-2.4 -1,-0.2 -5,-0.3 5,-0.1 -0.405 360.0 360.0 -96.6 360.0 125.9 143.9 20.4 96 ! 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 97 340 A L >> 0 0 50 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 153.1 128.3 145.3 15.9 98 341 A P T 34 + 0 0 132 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 0.913 360.0 39.9 -65.5 -43.2 129.7 145.4 12.3 99 342 A S T 34 S+ 0 0 53 1,-0.2 -7,-0.1 2,-0.1 0, 0.0 0.306 105.5 72.3 -87.7 7.0 130.6 149.1 12.3 100 343 A G T <4 S- 0 0 2 -3,-0.6 5,-0.2 -8,-0.1 -1,-0.2 0.931 72.9-159.9 -83.1 -52.7 131.9 148.9 15.9 101 344 A H >X - 0 0 42 -4,-1.0 4,-2.1 -9,-0.1 3,-0.9 0.840 12.7-165.9 68.6 39.3 135.2 147.0 15.4 102 345 A S H 3> S+ 0 0 40 -5,-0.4 4,-2.8 1,-0.3 5,-0.2 0.660 78.6 44.7 -22.6 -59.7 135.0 146.1 19.2 103 346 A D H 3> S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.925 119.3 39.3 -60.5 -53.4 138.7 144.9 19.3 104 347 A L H <> S+ 0 0 71 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.950 117.2 49.5 -59.3 -53.8 140.3 147.8 17.4 105 348 A L H X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.892 110.4 50.5 -57.1 -44.7 138.1 150.5 18.9 106 349 A E H X S+ 0 0 69 -4,-2.8 4,-2.4 -5,-0.4 -1,-0.2 0.906 110.8 49.7 -59.7 -42.4 138.8 149.2 22.4 107 350 A E H X S+ 0 0 118 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.839 111.4 49.1 -66.4 -35.3 142.5 149.3 21.7 108 351 A R H < S+ 0 0 19 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.908 111.0 49.1 -69.4 -44.7 142.3 152.8 20.4 109 352 A I H >< S+ 0 0 15 -4,-2.6 3,-0.6 1,-0.2 5,-0.3 0.924 109.4 53.3 -57.2 -47.0 140.3 154.0 23.4 110 353 A R H 3< S+ 0 0 92 -4,-2.4 2,-0.6 1,-0.3 3,-0.2 0.857 112.6 45.1 -58.6 -38.6 142.8 152.4 25.7 111 354 A N T 3< S+ 0 0 89 -4,-1.4 -1,-0.3 1,-0.2 -71,-0.3 -0.614 79.4 102.5-110.0 69.8 145.7 154.2 24.0 112 355 A S S < S- 0 0 1 -2,-0.6 -1,-0.2 -3,-0.6 3,-0.1 0.184 99.2 -97.9-128.3 14.4 144.4 157.8 23.7 113 356 A G S S+ 0 0 64 1,-0.3 2,-0.4 -3,-0.2 -2,-0.1 0.749 80.8 141.4 68.9 23.6 146.3 159.5 26.5 114 357 A I - 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0 0 1 -3,-1.2 3,-0.5 -2,-1.0 -3,-0.1 -0.846 38.2-157.2 -87.6 114.7 115.8 163.5 33.0 150 393 A P S S+ 0 0 7 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.794 81.4 72.8 -60.8 -32.8 114.0 166.4 34.9 151 394 A D + 0 0 74 -3,-0.1 2,-0.2 3,-0.1 3,-0.0 -0.183 68.2 129.7 -85.1 44.2 116.7 166.6 37.6 152 395 A R > - 0 0 7 -2,-1.1 3,-1.0 -3,-0.5 2,-0.1 -0.586 68.2 -92.3 -87.9 159.8 119.4 168.2 35.4 153 396 A Q T 3 S+ 0 0 136 1,-0.2 -74,-0.1 -2,-0.2 3,-0.1 -0.474 107.2 16.9 -71.4 143.5 121.2 171.4 36.5 154 397 A Y T 3 S+ 0 0 183 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.680 81.6 151.7 66.5 23.3 119.7 174.7 35.4 155 398 A I < - 0 0 17 -3,-1.0 3,-0.3 1,-0.2 -1,-0.2 -0.758 26.5-169.4 -84.5 123.4 116.3 173.2 34.5 156 399 A K S S+ 0 0 82 -2,-0.6 2,-0.7 1,-0.2 -1,-0.2 0.959 79.1 31.2 -75.9 -52.7 113.6 175.9 34.9 157 400 A D > + 0 0 85 1,-0.2 4,-0.7 -88,-0.1 3,-0.4 -0.714 64.3 165.4-115.7 77.0 110.4 173.8 34.7 158 401 A R H >> S+ 0 0 118 -2,-0.7 4,-1.7 -3,-0.3 3,-0.6 0.802 72.2 64.1 -64.0 -32.2 111.3 170.4 36.0 159 402 A E H 3> S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 97.4 55.3 -58.2 -46.0 107.6 169.4 36.3 160 403 A A H 3> S+ 0 0 33 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.732 107.0 50.5 -61.4 -27.1 107.1 169.6 32.5 161 404 A V H XX S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.6 3,-0.9 0.894 104.8 56.1 -76.5 -43.0 109.9 167.1 31.9 162 405 A E H 3X S+ 0 0 103 -4,-1.7 4,-2.7 1,-0.3 -2,-0.2 0.874 101.7 57.7 -57.6 -39.6 108.6 164.6 34.4 163 406 A K H 3< S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.790 113.1 40.5 -61.6 -30.3 105.3 164.5 32.5 164 407 A L H X S+ 0 0 26 -4,-2.6 3,-1.3 1,-0.1 4,-1.1 0.936 100.5 62.6 -72.8 -49.0 109.7 161.0 31.2 166 409 A E H >X S+ 0 0 40 -4,-2.7 4,-2.9 1,-0.3 3,-0.7 0.840 97.0 56.7 -54.2 -45.8 107.4 159.0 33.4 167 410 A P H 3> S+ 0 0 54 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.864 106.4 52.7 -50.7 -37.8 105.3 157.4 30.5 168 411 A L H X S+ 0 0 25 -4,-1.1 4,-2.2 -3,-0.2 3,-1.0 0.958 109.0 45.8 -61.9 -49.8 105.8 146.7 31.4 175 418 A L H 3X>S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.3 5,-0.5 0.789 105.3 60.4 -66.3 -30.9 108.5 145.2 29.1 176 419 A C H 3<5S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.2 10,-0.2 0.702 112.6 39.3 -70.1 -21.9 110.6 144.1 32.1 177 420 A K H <<5S+ 0 0 140 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.787 123.5 40.9 -89.4 -38.2 107.6 142.0 33.3 178 421 A I H <5S+ 0 0 74 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.980 128.4 26.3 -73.4 -63.2 106.7 140.8 29.8 179 422 A H T <5S+ 0 0 109 -4,-2.5 -3,-0.2 1,-0.2 -1,-0.1 0.496 135.1 36.6 -83.4 -3.2 110.1 140.1 28.2 180 423 A Q < + 0 0 59 -5,-0.5 -1,-0.2 1,-0.1 6,-0.2 -0.342 67.2 146.0-144.5 59.6 111.7 139.4 31.6 181 424 A P + 0 0 96 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.878 66.1 62.9 -68.7 -41.3 109.1 137.6 33.8 182 425 A E S S+ 0 0 96 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.943 110.6 37.1 -47.9 -60.7 111.6 135.3 35.7 183 426 A N > - 0 0 51 1,-0.1 3,-0.6 -7,-0.1 -1,-0.2 -0.854 61.3-178.4 -99.4 112.3 113.4 138.3 37.3 184 427 A P T > S+ 0 0 90 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.782 80.0 69.8 -78.4 -24.3 111.2 141.2 38.3 185 428 A Q T >> S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 3,-1.4 0.638 72.8 92.5 -65.2 -16.4 114.2 143.2 39.6 186 429 A H H <> S+ 0 0 2 -3,-0.6 4,-1.8 1,-0.3 3,-0.4 0.865 81.3 55.0 -44.1 -45.3 115.3 143.5 35.9 187 430 A F H <> S+ 0 0 21 -3,-1.1 4,-0.9 1,-0.2 -1,-0.3 0.812 111.3 44.2 -59.5 -33.1 113.4 146.9 35.7 188 431 A A H <> S+ 0 0 52 -3,-1.4 4,-0.6 -4,-0.3 -1,-0.2 0.597 106.3 60.3 -88.7 -15.9 115.4 148.2 38.7 189 432 A E H X S+ 0 0 66 -4,-1.6 4,-0.6 -3,-0.4 -2,-0.2 0.840 104.5 51.3 -72.5 -37.1 118.7 146.8 37.3 190 433 A L H >X S+ 0 0 0 -4,-1.8 3,-0.8 -5,-0.2 4,-0.8 0.892 108.7 49.7 -62.8 -42.5 118.1 149.1 34.3 191 434 A L H 3X S+ 0 0 50 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.658 95.8 70.7 -77.8 -16.5 117.6 152.1 36.5 192 435 A G H 3X S+ 0 0 28 -4,-0.6 4,-1.7 1,-0.2 3,-0.5 0.836 95.5 56.4 -62.0 -33.2 120.7 151.4 38.5 193 436 A R H S+ 0 0 65 -5,-0.4 4,-1.5 -4,-0.4 -1,-0.2 0.811 97.9 58.8 -70.5 -31.6 125.6 159.9 36.4 199 442 A T H X S+ 0 0 97 -4,-1.0 4,-1.7 -3,-0.4 -1,-0.2 0.860 101.9 56.0 -64.1 -34.7 128.9 159.1 38.2 200 443 A F H X S+ 0 0 20 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.806 100.9 57.0 -69.6 -32.7 130.6 159.3 34.8 201 444 A N H X S+ 0 0 37 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.969 105.5 51.1 -53.6 -56.8 129.3 162.9 34.2 202 445 A H H X S+ 0 0 72 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.892 114.8 42.9 -49.8 -46.8 130.9 164.0 37.4 203 446 A H H X S+ 0 0 34 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.895 105.3 64.6 -65.7 -41.6 134.2 162.5 36.3 204 447 A H H X S+ 0 0 17 -4,-2.5 4,-3.8 1,-0.2 -2,-0.2 0.851 99.1 51.1 -57.0 -41.8 133.9 163.8 32.7 205 448 A A H X S+ 0 0 59 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.918 112.2 47.6 -62.2 -43.9 134.1 167.4 33.7 206 449 A E H X S+ 0 0 146 -4,-1.0 4,-1.8 -3,-0.2 -2,-0.2 0.908 115.6 45.3 -59.8 -46.2 137.3 166.7 35.7 207 450 A M H X S+ 0 0 31 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.973 105.3 60.0 -61.6 -53.9 138.7 164.8 32.8 208 451 A L H X S+ 0 0 5 -4,-3.8 4,-2.7 1,-0.3 -1,-0.2 0.850 106.4 48.9 -42.8 -44.3 137.7 167.4 30.2 209 452 A M H X S+ 0 0 86 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.966 105.9 56.7 -59.5 -54.4 140.0 169.9 32.1 210 453 A S H X S+ 0 0 49 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.865 112.2 43.1 -40.9 -46.3 142.8 167.4 32.2 211 454 A W H ><>S+ 0 0 19 -4,-2.0 5,-1.8 2,-0.2 3,-0.5 0.923 110.0 54.9 -71.5 -48.3 142.6 167.3 28.4 212 455 A R H ><5S+ 0 0 82 -4,-2.7 3,-1.4 1,-0.3 4,-0.3 0.948 107.3 49.3 -52.2 -52.4 142.2 171.0 27.9 213 456 A V H 3<5S+ 0 0 124 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.768 103.9 61.8 -63.6 -23.6 145.4 171.7 29.9 214 457 A N T <<5S- 0 0 104 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 -0.049 124.4-106.3 -83.5 31.7 147.1 169.1 27.7 215 458 A D T < 5 + 0 0 146 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.838 59.8 171.3 42.6 43.5 146.3 171.4 24.7 216 459 A H < - 0 0 50 -5,-1.8 2,-0.4 -4,-0.3 -1,-0.2 -0.690 23.5-141.8 -82.4 133.9 143.5 169.0 23.5 217 460 A K - 0 0 81 -2,-0.4 2,-0.3 0, 0.0 -172,-0.1 -0.777 20.4-177.3 -97.9 136.3 141.5 170.5 20.7 218 461 A F - 0 0 24 -2,-0.4 -172,-0.0 1,-0.0 -176,-0.0 -0.779 28.7 -95.5-126.1 172.6 137.7 169.9 20.4 219 462 A T > - 0 0 37 -2,-0.3 4,-2.4 -174,-0.1 5,-0.2 -0.448 33.2-110.0 -89.6 159.8 135.0 170.9 17.9 220 463 A P H > S+ 0 0 87 0, 0.0 4,-1.0 0, 0.0 14,-0.1 0.752 119.5 51.9 -58.8 -25.0 132.7 173.9 18.1 221 464 A L H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.1 5,-0.1 0.840 111.5 44.1 -80.8 -37.2 129.7 171.6 18.9 222 465 A L H > S+ 0 0 2 -3,-0.2 4,-1.6 2,-0.2 6,-0.2 0.799 111.1 54.8 -75.4 -31.8 131.5 169.8 21.7 223 466 A E H X>S+ 0 0 70 -4,-2.4 5,-2.1 2,-0.2 4,-0.7 0.855 113.6 43.5 -66.5 -34.5 132.8 173.1 23.1 224 467 A E H <5S+ 0 0 22 -4,-1.0 3,-0.3 -5,-0.2 -2,-0.2 0.929 112.1 50.2 -74.1 -47.8 129.1 174.2 23.2 225 468 A I H <5S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.796 125.8 29.1 -63.8 -29.6 127.6 171.0 24.6 226 469 A W H <5S- 0 0 38 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.401 109.3-118.1-111.4 0.5 130.2 171.0 27.4 227 470 A D T <5 + 0 0 87 -4,-0.7 2,-0.4 -3,-0.3 -3,-0.2 0.865 41.4 179.8 66.9 40.7 130.8 174.8 27.7 228 471 A V < 0 0 19 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.610 360.0 360.0 -70.8 125.5 134.5 174.8 26.9 229 472 A Q 0 0 156 -2,-0.4 -1,-0.1 -5,-0.0 -5,-0.0 -0.245 360.0 360.0 -75.7 360.0 135.7 178.4 27.0 230 !* 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 0.0 231 745 B A 0 0 126 0, 0.0 -7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.2 125.0 181.8 23.6 232 746 B H > + 0 0 45 1,-0.1 4,-1.2 3,-0.1 5,-0.1 0.886 360.0 159.1 60.2 49.4 124.4 178.3 22.1 233 747 B Q H > + 0 0 151 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.859 69.1 51.2 -62.8 -39.1 124.0 179.3 18.5 234 748 B L H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 106.3 47.6 -74.8 -51.1 124.7 175.8 17.1 235 749 B L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.862 114.3 51.3 -58.7 -37.1 122.4 173.6 19.1 236 750 B R H X S+ 0 0 53 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.947 109.2 49.2 -60.8 -51.2 119.6 176.0 18.3 237 751 B Y H X S+ 0 0 168 -4,-2.1 4,-0.8 1,-0.2 3,-0.3 0.909 113.3 47.0 -55.4 -44.5 120.5 175.9 14.6 238 752 B L H < S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 111.3 51.3 -68.2 -29.9 120.5 172.0 14.8 239 753 B L H < S+ 0 0 18 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.698 113.9 44.7 -78.3 -21.3 117.1 172.1 16.7 240 754 B D H < 0 0 108 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.427 360.0 360.0-104.9 -3.6 115.6 174.3 14.1 241 755 B A < 0 0 129 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 0.713 360.0 360.0 -70.1 360.0 116.8 172.6 10.9