==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-JAN-09 2ZY0 . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR RXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.SATO,P.ANTONY,N.ROCHEL,D.MORAS,STRUCTURAL GENOMICS . 451 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 5 1 2 0 4 0 2 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 227 A N 0 0 89 0, 0.0 5,-0.1 0, 0.0 152,-0.0 0.000 360.0 360.0 360.0 5.9 -5.3 37.9 4.1 2 228 A E + 0 0 191 2,-0.1 155,-0.0 3,-0.1 0, 0.0 0.719 360.0 41.8 -93.3 -26.3 -7.1 37.1 0.8 3 229 A D S S+ 0 0 78 1,-0.2 -1,-0.1 150,-0.1 150,-0.1 0.698 132.9 22.8 -89.6 -25.5 -3.9 35.9 -1.0 4 230 A M S S- 0 0 2 149,-0.2 -1,-0.2 150,-0.0 2,-0.2 -0.666 84.1-163.5-140.1 81.6 -2.7 34.0 2.0 5 231 A P >> - 0 0 21 0, 0.0 4,-1.2 0, 0.0 3,-0.5 -0.482 18.7-148.5 -74.4 134.3 -5.6 33.1 4.3 6 232 A V H 3> S+ 0 0 8 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.707 97.7 66.0 -67.7 -21.2 -4.8 32.1 7.9 7 233 A E H 3> S+ 0 0 111 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.844 101.6 46.0 -68.9 -36.3 -8.0 29.9 7.7 8 234 A R H <> S+ 0 0 128 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.828 109.9 53.0 -77.8 -34.9 -6.4 27.6 5.1 9 235 A I H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.892 109.7 50.0 -64.0 -41.2 -3.1 27.3 6.9 10 236 A L H X S+ 0 0 50 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.823 107.3 54.0 -66.2 -33.8 -5.1 26.2 10.0 11 237 A E H X S+ 0 0 116 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.855 106.1 53.1 -66.7 -36.1 -7.0 23.6 7.9 12 238 A A H X S+ 0 0 1 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.848 110.0 47.8 -65.9 -37.0 -3.6 22.3 6.8 13 239 A E H < S+ 0 0 17 -4,-1.5 4,-0.4 1,-0.2 3,-0.3 0.874 113.8 46.6 -69.5 -40.6 -2.6 21.9 10.5 14 240 A L H < S+ 0 0 84 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.791 105.0 61.2 -72.6 -30.2 -5.9 20.2 11.3 15 241 A A H < S+ 0 0 54 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.783 112.1 37.5 -66.6 -28.7 -5.7 17.8 8.3 16 242 A V S < S+ 0 0 28 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.363 76.7 141.0-107.8 2.0 -2.4 16.3 9.6 17 243 A E 0 0 108 -3,-0.5 -3,-0.1 -4,-0.4 -4,-0.0 -0.327 360.0 360.0 -50.0 110.9 -3.3 16.3 13.4 18 244 A P 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.269 360.0 360.0 -34.3 360.0 -1.7 12.9 14.4 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 262 A N 0 0 182 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.4 12.4 -0.0 22.9 21 263 A D >> - 0 0 65 1,-0.1 4,-2.0 2,-0.0 3,-0.8 -0.575 360.0-131.7 -65.3 126.6 15.4 2.3 22.9 22 264 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.875 107.8 53.1 -50.9 -43.3 13.9 5.9 23.3 23 265 A V H 3> S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.844 107.7 52.3 -60.3 -36.7 16.1 7.2 20.4 24 266 A T H <> S+ 0 0 16 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.904 109.0 49.1 -66.0 -43.8 14.7 4.4 18.2 25 267 A N H X S+ 0 0 40 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 110.6 49.6 -62.1 -45.3 11.1 5.3 19.1 26 268 A I H X S+ 0 0 47 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.865 110.8 51.4 -61.7 -38.6 11.6 9.0 18.3 27 269 A C H X S+ 0 0 8 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.839 107.0 52.6 -68.1 -37.2 13.2 8.1 15.0 28 270 A Q H X S+ 0 0 96 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.899 111.9 45.8 -64.4 -42.7 10.3 5.9 14.0 29 271 A A H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.907 108.1 57.6 -64.7 -42.6 7.9 8.7 14.7 30 272 A A H X S+ 0 0 23 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.802 109.5 45.4 -58.2 -33.1 10.2 11.1 12.8 31 273 A D H >X S+ 0 0 15 -4,-1.4 3,-1.3 2,-0.2 4,-1.1 0.949 111.4 50.7 -74.0 -52.5 9.9 8.9 9.7 32 274 A K H 3X S+ 0 0 100 -4,-2.3 4,-1.1 1,-0.3 3,-0.3 0.868 110.8 52.3 -48.2 -40.8 6.1 8.5 10.0 33 275 A Q H 3X S+ 0 0 19 -4,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.673 96.7 65.2 -77.9 -18.5 6.0 12.3 10.3 34 276 A L H X S+ 0 0 75 -4,-1.1 4,-1.1 -3,-0.3 3,-0.6 0.943 113.5 42.9 -63.0 -49.0 5.2 11.3 5.0 36 278 A T H 3X S+ 0 0 46 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.691 103.8 67.0 -75.4 -18.7 2.5 13.5 6.5 37 279 A L H 3X S+ 0 0 4 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.864 99.0 52.5 -63.9 -37.5 4.7 16.6 6.4 38 280 A V H < S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 6,-0.3 0.887 105.6 54.4 -62.4 -41.7 3.0 21.2 2.7 42 284 A K H 3< S+ 0 0 38 -4,-2.0 6,-0.5 1,-0.3 -1,-0.2 0.845 104.8 54.7 -57.6 -39.2 0.7 20.6 -0.3 43 285 A R T 3< S+ 0 0 123 -4,-1.2 -1,-0.3 -3,-0.3 -31,-0.2 0.417 85.1 99.8 -80.5 -0.9 -2.2 22.1 1.7 44 286 A I S X> S- 0 0 1 -3,-1.4 3,-2.0 -4,-0.2 4,-0.5 -0.800 93.7 -95.6 -84.9 126.9 -0.2 25.3 2.3 45 287 A P T 34 S- 0 0 11 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.148 99.7 -2.4 -50.9 127.2 -1.4 27.9 -0.2 46 288 A H T 34 S+ 0 0 54 -4,-0.1 4,-0.4 1,-0.1 -3,-0.1 0.378 97.0 110.4 75.9 0.6 0.7 28.1 -3.4 47 289 A F T X4 S+ 0 0 0 -3,-2.0 3,-1.7 -6,-0.3 -5,-0.1 0.963 80.7 46.9 -66.6 -50.6 3.3 25.5 -2.3 48 290 A S T 3< S+ 0 0 60 -4,-0.5 -1,-0.2 -6,-0.5 7,-0.1 0.781 102.7 65.6 -60.3 -30.0 2.2 23.0 -4.9 49 291 A E T 3 S+ 0 0 147 2,-0.1 -1,-0.3 6,-0.0 -2,-0.2 0.615 84.0 94.9 -69.1 -15.3 2.2 25.8 -7.6 50 292 A L S < S- 0 0 6 -3,-1.7 5,-0.1 -4,-0.4 -4,-0.0 -0.459 96.2 -86.4 -71.7 150.5 6.0 26.0 -7.2 51 293 A P >> - 0 0 64 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.290 41.4-113.6 -56.6 145.2 8.2 24.1 -9.6 52 294 A L H 3> S+ 0 0 69 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.821 114.8 57.0 -52.1 -37.3 8.7 20.5 -8.4 53 295 A D H 3> S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.826 107.6 46.9 -66.7 -33.4 12.4 21.1 -7.9 54 296 A D H <> S+ 0 0 3 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.805 106.2 58.4 -77.4 -32.4 11.8 24.0 -5.5 55 297 A Q H X S+ 0 0 11 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.873 109.5 46.1 -60.0 -39.2 9.2 22.0 -3.6 56 298 A V H X S+ 0 0 6 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.941 110.5 51.3 -67.9 -51.0 11.9 19.4 -2.9 57 299 A I H X S+ 0 0 40 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.906 110.0 49.7 -55.0 -47.5 14.6 22.0 -1.9 58 300 A L H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.884 113.6 45.3 -60.0 -42.7 12.3 23.7 0.6 59 301 A L H X S+ 0 0 1 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.815 111.7 51.3 -73.4 -32.8 11.3 20.4 2.3 60 302 A R H < S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 115.6 43.5 -72.2 -27.7 14.9 19.1 2.4 61 303 A A H < S+ 0 0 45 -4,-1.6 4,-0.2 -5,-0.2 -2,-0.2 0.730 124.4 33.0 -85.8 -25.1 16.0 22.4 4.0 62 304 A G H X S+ 0 0 3 -4,-1.4 4,-3.3 -5,-0.2 5,-0.3 0.618 81.6 98.3-112.2 -16.4 13.1 22.6 6.5 63 305 A W H X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.785 87.6 51.9 -48.3 -35.7 12.0 19.2 7.6 64 306 A N H > S+ 0 0 16 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.987 116.8 34.8 -64.2 -61.0 14.0 19.4 10.8 65 307 A E H > S+ 0 0 14 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.853 118.4 54.8 -62.6 -37.5 12.6 22.8 12.0 66 308 A L H X S+ 0 0 0 -4,-3.3 4,-1.1 2,-0.2 -1,-0.2 0.909 113.4 40.0 -63.5 -44.6 9.2 22.0 10.6 67 309 A L H X S+ 0 0 18 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.883 113.1 54.0 -74.5 -40.3 8.9 18.7 12.4 68 310 A I H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.929 108.8 49.9 -58.0 -46.8 10.4 20.0 15.7 69 311 A A H X S+ 0 0 8 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.836 109.3 53.5 -58.9 -36.0 7.9 22.8 15.8 70 312 A S H X S+ 0 0 20 -4,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.905 113.3 39.1 -70.8 -43.2 5.0 20.4 15.2 71 313 A F H X S+ 0 0 44 -4,-2.0 4,-0.8 2,-0.2 12,-0.5 0.787 111.3 58.7 -80.6 -26.9 5.9 18.0 18.1 72 314 A S H >< S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.956 108.8 44.4 -60.5 -51.6 6.8 20.8 20.5 73 315 A H H >< S+ 0 0 21 -4,-1.6 3,-0.9 1,-0.3 4,-0.2 0.799 109.6 57.4 -64.9 -30.3 3.4 22.4 20.2 74 316 A R H 3< S+ 0 0 46 -4,-1.0 3,-0.3 1,-0.2 -1,-0.3 0.731 104.2 55.4 -67.7 -22.3 1.8 18.9 20.5 75 317 A S T << S+ 0 0 0 -3,-1.1 6,-0.3 -4,-0.8 -1,-0.2 0.130 71.9 98.4-107.2 18.9 3.6 18.6 23.9 76 318 A I S < S+ 0 0 52 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.901 84.4 53.4 -69.7 -39.7 2.4 21.6 25.8 77 319 A A S S+ 0 0 87 -3,-0.3 -1,-0.2 -4,-0.2 2,-0.1 0.771 96.0 80.8 -66.6 -30.0 -0.2 19.6 27.6 78 320 A V S S- 0 0 23 -4,-0.2 3,-0.1 3,-0.1 5,-0.1 -0.487 77.8-136.1 -81.9 155.9 2.3 17.0 28.8 79 321 A K S S- 0 0 138 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.914 80.1 -1.5 -87.5 -48.3 4.4 17.9 31.9 80 322 A D S S+ 0 0 79 2,-0.0 12,-2.7 0, 0.0 2,-0.3 -0.297 121.3 23.6-145.5 54.9 8.1 17.0 31.4 81 323 A G E S-A 91 0A 5 -6,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.933 82.4 -71.5 177.0-159.7 8.6 15.4 28.0 82 324 A I E -A 90 0A 6 8,-2.4 8,-2.5 -2,-0.3 2,-0.7 -0.908 24.2-127.9-127.6 151.9 7.1 15.1 24.5 83 325 A L E -A 89 0A 45 -12,-0.5 6,-0.2 -2,-0.3 2,-0.2 -0.889 29.9-151.2 -95.8 110.8 4.1 13.6 22.8 84 326 A L > - 0 0 7 4,-2.6 3,-1.6 -2,-0.7 -58,-0.1 -0.525 20.6-122.6 -77.6 152.1 5.3 11.5 19.9 85 327 A A T 3 S+ 0 0 14 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.752 109.5 70.4 -67.1 -24.3 3.0 11.0 16.9 86 328 A T T 3 S- 0 0 52 -61,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.418 121.3-106.2 -71.2 1.9 3.2 7.2 17.4 87 329 A G S < S+ 0 0 48 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.089 81.2 125.8 96.0 -22.3 1.2 7.8 20.5 88 330 A L - 0 0 89 -63,-0.1 -4,-2.6 -5,-0.1 2,-0.6 -0.427 54.5-138.0 -74.5 143.3 4.0 7.2 23.0 89 331 A H E -A 83 0A 127 -6,-0.2 2,-0.6 -2,-0.1 -6,-0.2 -0.904 15.1-157.7-100.2 121.3 4.9 9.8 25.7 90 332 A V E -A 82 0A 9 -8,-2.5 -8,-2.4 -2,-0.6 2,-0.2 -0.896 7.4-152.9-105.6 113.3 8.7 10.3 26.1 91 333 A H E >> -A 81 0A 88 -2,-0.6 4,-1.8 -10,-0.2 3,-0.6 -0.510 26.3-114.2 -83.8 151.9 9.8 11.7 29.4 92 334 A R H 3> S+ 0 0 79 -12,-2.7 4,-2.5 1,-0.3 5,-0.1 0.739 116.7 55.9 -58.2 -26.8 13.0 13.8 29.8 93 335 A N H 3> S+ 0 0 92 -13,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.878 103.4 52.6 -74.1 -39.5 14.5 11.1 32.0 94 336 A S H <4 S+ 0 0 50 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.909 114.3 46.0 -55.2 -43.0 14.0 8.4 29.3 95 337 A A H ><>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 3,-1.1 0.921 114.1 45.4 -66.3 -48.1 15.8 10.9 27.1 96 338 A H H ><5S+ 0 0 131 -4,-2.5 3,-1.5 1,-0.3 5,-0.4 0.895 110.1 54.1 -65.4 -41.4 18.6 11.7 29.5 97 339 A S T 3<5S+ 0 0 97 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.418 108.1 53.1 -74.5 1.9 19.1 8.0 30.3 98 340 A A T < 5S- 0 0 31 -3,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.360 120.3-108.1-113.0 -3.6 19.5 7.4 26.6 99 341 A G T < 5S+ 0 0 66 -3,-1.5 3,-0.2 -4,-0.2 -3,-0.2 0.434 98.7 95.1 94.1 1.4 22.2 10.1 26.2 100 342 A V >< + 0 0 16 -5,-1.9 4,-1.6 1,-0.1 -4,-0.2 -0.059 43.9 120.5-110.6 30.7 20.2 12.8 24.3 101 343 A G H > + 0 0 7 -5,-0.4 4,-1.9 -6,-0.3 -5,-0.2 0.774 66.9 57.2 -66.9 -30.6 19.3 14.7 27.5 102 344 A A H > S+ 0 0 79 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.941 111.3 38.3 -69.1 -50.9 20.9 18.0 26.4 103 345 A I H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.838 115.6 54.7 -70.7 -33.5 19.0 18.6 23.1 104 346 A F H X S+ 0 0 16 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.893 107.9 48.9 -66.5 -43.2 15.7 17.2 24.7 105 347 A D H X S+ 0 0 49 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.872 107.3 56.4 -63.2 -38.7 15.9 19.7 27.5 106 348 A R H X>S+ 0 0 52 -4,-1.6 4,-2.7 2,-0.2 5,-0.6 0.889 107.0 48.8 -59.4 -43.7 16.6 22.5 25.0 107 349 A V H X>S+ 0 0 11 -4,-1.7 5,-2.6 3,-0.2 4,-1.3 0.907 114.0 46.8 -61.2 -44.4 13.3 21.6 23.2 108 350 A L H <>S+ 0 0 15 -4,-1.9 5,-2.9 3,-0.2 -2,-0.2 0.944 122.2 34.4 -63.4 -48.8 11.5 21.6 26.5 109 351 A T H <>S+ 0 0 63 -4,-3.2 5,-0.6 3,-0.2 -2,-0.2 0.973 126.3 34.2 -71.4 -58.5 13.0 25.0 27.7 110 352 A E H <5S+ 0 0 4 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.750 135.0 14.2 -76.6 -26.9 13.3 27.0 24.5 111 353 A L T XS+ 0 0 10 -4,-2.8 5,-2.3 2,-0.2 4,-0.5 0.898 113.1 45.7 -63.7 -42.5 4.7 27.9 23.5 116 358 A R H ><5S+ 0 0 66 -4,-2.5 3,-0.8 -5,-0.2 -2,-0.2 0.929 109.2 54.9 -63.9 -47.2 2.8 27.0 26.7 117 359 A D H 3<5S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.688 118.0 33.6 -66.9 -22.6 3.5 30.3 28.4 118 360 A M T 3<5S- 0 0 14 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.407 106.0-127.1-107.8 -1.5 2.1 32.4 25.6 119 361 A Q T < 5 - 0 0 153 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.947 27.7-153.0 51.3 54.8 -0.6 29.8 24.7 120 362 A M < - 0 0 5 -5,-2.3 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-2,-0.2 0.880 108.4 50.9 -61.5 -39.7 4.6 28.1 6.8 131 373 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.944 110.7 49.2 -59.7 -48.5 7.2 30.9 7.2 132 374 A V H < S+ 0 0 8 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.897 109.0 53.3 -57.5 -43.6 9.9 28.2 7.8 133 375 A L H < S+ 0 0 0 -4,-2.6 2,-2.1 1,-0.3 -1,-0.2 0.934 102.0 58.6 -59.5 -49.9 8.7 26.3 4.7 134 376 A F S < S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.1 17,-0.1 -0.438 74.1 162.2 -80.7 66.1 9.0 29.3 2.5 135 377 A N > - 0 0 17 -2,-2.1 3,-1.2 -3,-0.3 13,-0.1 -0.795 22.3-170.9 -89.7 105.2 12.7 29.8 3.3 136 378 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 12,-0.1 0.698 80.1 68.0 -70.5 -19.1 14.2 32.0 0.5 137 379 A D T 3 + 0 0 24 2,-0.1 201,-0.1 201,-0.0 200,-0.0 0.614 69.9 124.4 -75.1 -14.5 17.8 31.4 1.7 138 380 A S X - 0 0 11 -3,-1.2 3,-1.2 1,-0.1 2,-0.1 -0.258 67.0-120.0 -52.8 122.2 17.5 27.7 0.6 139 381 A K T 3 S+ 0 0 130 1,-0.2 -1,-0.1 -82,-0.1 -2,-0.1 -0.437 92.2 27.3 -70.1 136.1 20.4 27.0 -1.8 140 382 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.147 76.7 152.9 102.9 -17.8 19.4 25.9 -5.3 141 383 A L < - 0 0 14 -3,-1.2 -1,-0.3 1,-0.1 -87,-0.1 -0.220 39.2-148.2 -50.6 122.2 16.0 27.6 -5.5 142 384 A S S S+ 0 0 82 1,-0.3 -1,-0.1 -91,-0.1 -2,-0.1 0.953 92.2 20.0 -58.3 -53.8 15.1 28.4 -9.1 143 385 A N > + 0 0 81 1,-0.1 4,-1.3 2,-0.0 -1,-0.3 -0.847 66.6 172.1-121.1 94.7 13.1 31.5 -8.1 144 386 A P H > S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 -1,-0.1 0.851 80.4 56.9 -66.9 -37.2 14.2 32.8 -4.6 145 387 A A H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.828 102.8 55.4 -64.5 -35.1 12.1 36.1 -5.0 146 388 A E H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 112.1 42.4 -60.0 -47.8 9.0 34.0 -5.6 147 389 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.892 112.6 54.6 -64.4 -42.6 9.6 32.2 -2.3 148 390 A E H X S+ 0 0 39 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.893 107.0 51.3 -57.1 -43.2 10.5 35.5 -0.6 149 391 A A H X S+ 0 0 31 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.904 109.1 49.9 -60.6 -44.8 7.2 36.9 -1.8 150 392 A L H X S+ 0 0 4 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.845 106.0 55.9 -67.3 -35.2 5.2 34.0 -0.3 151 393 A R H X S+ 0 0 16 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.923 106.2 52.4 -58.5 -45.0 7.1 34.3 3.1 152 394 A E H X S+ 0 0 68 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.854 106.3 52.7 -60.8 -39.0 5.9 38.0 3.2 153 395 A K H X S+ 0 0 78 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.821 108.5 51.4 -66.6 -33.0 2.2 37.0 2.6 154 396 A V H X S+ 0 0 0 -4,-1.4 4,-1.2 -3,-0.3 -2,-0.2 0.940 113.9 40.7 -71.3 -48.2 2.3 34.5 5.5 155 397 A Y H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.788 112.5 55.3 -75.5 -25.8 3.7 36.8 8.1 156 398 A A H X S+ 0 0 52 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.925 110.7 45.9 -65.6 -45.0 1.5 39.7 6.9 157 399 A S H X S+ 0 0 5 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.759 112.3 53.2 -65.9 -27.1 -1.5 37.4 7.4 158 400 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.926 107.9 47.1 -74.9 -47.8 -0.0 36.4 10.8 159 401 A E H X S+ 0 0 31 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.885 111.6 53.0 -59.2 -41.0 0.4 40.0 12.1 160 402 A A H X S+ 0 0 55 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.855 111.4 46.2 -61.2 -37.2 -3.2 40.7 10.9 161 403 A Y H X S+ 0 0 26 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.879 114.6 47.9 -70.1 -40.6 -4.3 37.6 12.9 162 404 A C H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 7,-0.2 0.952 112.3 46.0 -66.2 -53.7 -2.3 38.7 16.0 163 405 A K H < S+ 0 0 85 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.756 121.0 43.1 -60.9 -26.9 -3.5 42.4 16.0 164 406 A H H < S+ 0 0 147 -4,-0.9 -2,-0.2 -5,-0.3 -3,-0.2 0.967 122.4 29.1 -82.2 -66.9 -7.0 41.1 15.5 165 407 A K H < S+ 0 0 131 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.505 132.2 35.4 -82.8 -5.3 -7.5 38.1 17.8 166 408 A Y >< + 0 0 43 -4,-1.7 3,-0.9 -5,-0.3 -1,-0.3 -0.468 66.2 152.2-138.3 67.7 -5.0 39.3 20.5 167 409 A P T 3 S+ 0 0 91 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 0.734 70.4 62.0 -73.7 -18.4 -5.4 43.0 20.6 168 410 A E T 3 S+ 0 0 134 1,-0.2 -5,-0.1 -3,-0.1 -3,-0.0 0.692 97.1 61.9 -77.5 -21.5 -4.3 43.2 24.2 169 411 A Q X + 0 0 67 -3,-0.9 3,-0.9 -7,-0.2 4,-0.3 -0.857 59.1 174.4-110.9 94.9 -0.9 41.8 23.4 170 412 A P T 3 S+ 0 0 94 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.830 78.5 50.2 -71.5 -31.9 1.0 44.2 21.0 171 413 A G T 3> S+ 0 0 27 1,-0.2 4,-2.2 2,-0.1 5,-0.1 0.307 79.8 99.3 -90.4 8.4 4.3 42.3 21.1 172 414 A R H <> S+ 0 0 6 -3,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.883 78.6 53.6 -64.6 -43.2 2.9 38.8 20.4 173 415 A F H > S+ 0 0 2 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.890 114.4 41.4 -59.6 -43.1 3.7 38.8 16.6 174 416 A A H > S+ 0 0 2 -4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.849 112.1 55.8 -73.1 -35.8 7.4 39.6 17.3 175 417 A K H < S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.886 107.8 50.3 -60.4 -41.2 7.4 37.2 20.2 176 418 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.916 109.8 49.2 -61.2 -46.5 6.2 34.5 17.8 177 419 A L H >< S+ 0 0 2 -4,-1.6 3,-1.1 1,-0.3 -1,-0.2 0.721 100.7 66.2 -68.7 -23.2 8.9 35.3 15.2 178 420 A L T 3< S+ 0 0 3 -4,-1.3 4,-0.3 1,-0.3 -1,-0.3 0.328 85.3 69.3 -88.4 8.7 11.7 35.2 17.9 179 421 A R T <> S+ 0 0 25 -3,-1.3 4,-2.5 2,-0.1 -1,-0.3 0.470 83.0 80.3 -91.4 -5.5 11.2 31.5 18.5 180 422 A L H <> S+ 0 0 7 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.808 86.9 50.2 -75.5 -33.1 12.7 30.9 15.1 181 423 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.856 113.3 48.5 -71.7 -31.2 16.4 31.3 16.0 182 424 A A H > S+ 0 0 0 -4,-0.3 4,-2.8 2,-0.2 5,-0.3 0.941 113.0 48.3 -62.8 -49.1 15.8 28.8 18.8 183 425 A L H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -3,-0.2 0.892 114.0 46.0 -55.9 -45.3 14.0 26.6 16.3 184 426 A R H X S+ 0 0 18 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.889 113.7 48.1 -67.1 -41.8 16.9 26.9 13.8 185 427 A S H X S+ 0 0 8 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.905 115.9 43.3 -68.1 -43.0 19.6 26.4 16.5 186 428 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.873 109.7 60.0 -67.5 -38.3 17.8 23.3 17.8 187 429 A G H X S+ 0 0 4 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.880 106.7 44.8 -55.5 -44.0 17.2 22.1 14.3 188 430 A L H X S+ 0 0 62 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.875 113.3 47.8 -72.7 -40.8 20.9 22.0 13.4 189 431 A K H X S+ 0 0 84 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.827 110.7 55.0 -69.4 -30.2 22.0 20.2 16.6 190 432 A C H X S+ 0 0 35 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.893 108.9 46.6 -64.8 -42.8 19.1 17.8 16.0 191 433 A L H X S+ 0 0 44 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.890 105.7 59.6 -66.0 -43.1 20.5 17.0 12.5 192 434 A E H X S+ 0 0 96 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.828 106.9 48.5 -55.2 -36.0 24.0 16.6 13.9 193 435 A H H X S+ 0 0 52 -4,-1.2 4,-2.5 2,-0.2 3,-0.3 0.937 107.2 52.8 -69.9 -51.5 22.7 13.8 16.1 194 436 A L H X S+ 0 0 18 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.877 106.9 53.7 -52.5 -44.8 20.8 11.9 13.4 195 437 A F H X S+ 0 0 95 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.883 110.1 48.5 -56.3 -41.7 24.0 11.9 11.2 196 438 A F H X S+ 0 0 116 -4,-1.1 4,-2.8 -3,-0.3 5,-0.3 0.898 108.5 51.8 -67.0 -43.7 25.8 10.3 14.2 197 439 A F H X S+ 0 0 33 -4,-2.5 4,-1.3 1,-0.2 6,-0.5 0.871 114.3 45.3 -59.4 -39.1 23.1 7.7 14.8 198 440 A K H < S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.916 112.3 51.7 -66.8 -46.9 23.4 6.8 11.1 199 441 A L H < S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.934 116.1 37.9 -57.7 -53.6 27.2 6.8 11.2 200 442 A I H < S- 0 0 90 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.758 96.2-153.5 -74.1 -26.2 27.5 4.4 14.2 201 443 A G < + 0 0 55 -4,-1.3 -3,-0.1 -5,-0.3 -4,-0.1 0.690 56.9 119.1 65.2 25.3 24.6 2.4 12.8 202 444 A D + 0 0 114 -5,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.059 63.8 72.3-104.4 25.1 23.2 0.9 16.0 203 445 A T S S- 0 0 10 -6,-0.5 -2,-0.1 -5,-0.1 2,-0.1 -0.937 87.7-123.0-137.1 111.9 19.8 2.7 15.6 204 446 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -177,-0.1 -0.347 29.6-165.1 -58.8 125.0 17.5 1.4 12.8 205 447 A I - 0 0 33 -2,-0.1 -177,-0.1 -7,-0.1 -181,-0.0 -0.963 13.4-129.2-117.8 127.2 16.7 4.3 10.5 206 448 A D > - 0 0 75 -2,-0.5 4,-3.0 -179,-0.2 5,-0.2 -0.253 26.7-101.0 -77.1 165.6 13.8 4.1 8.0 207 449 A T H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.841 118.1 44.0 -55.5 -48.1 13.9 4.8 4.3 208 450 A F H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.871 116.6 47.0 -69.6 -37.9 12.4 8.3 4.3 209 451 A L H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.909 113.3 50.2 -66.2 -42.0 14.4 9.4 7.3 210 452 A M H < S+ 0 0 64 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.853 108.4 52.7 -61.5 -39.1 17.5 7.9 5.6 211 453 A E H >< S+ 0 0 18 -4,-2.2 3,-0.9 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35.2-156.5 -48.1 117.0 21.4 33.3 33.3 370 384 C S S S+ 0 0 88 1,-0.3 -1,-0.1 -91,-0.1 -2,-0.1 0.923 90.5 24.7 -63.4 -47.5 20.5 34.0 37.0 371 385 C N > + 0 0 75 1,-0.1 4,-0.9 2,-0.0 -1,-0.3 -0.809 67.7 163.3-120.8 89.6 17.6 36.2 36.0 372 386 C P H > S+ 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.666 73.1 63.7 -79.6 -17.8 16.3 35.2 32.5 373 387 C A H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.817 101.9 49.1 -73.8 -33.1 13.0 37.0 32.9 374 388 C E H > S+ 0 0 82 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.814 112.7 47.3 -75.2 -31.5 14.7 40.4 33.2 375 389 C V H X S+ 0 0 0 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.826 112.0 52.0 -72.9 -34.1 16.7 39.6 30.0 376 390 C E H X S+ 0 0 62 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.855 111.5 46.3 -66.1 -39.1 13.4 38.5 28.5 377 391 C A H X S+ 0 0 29 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.823 109.2 54.0 -75.1 -33.7 11.8 41.8 29.5 378 392 C L H X S+ 0 0 4 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.797 106.4 52.7 -71.2 -29.9 14.8 43.8 28.1 379 393 C R H X S+ 0 0 16 -4,-1.4 4,-2.3 2,-0.2 3,-0.2 0.926 107.5 51.5 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400 414 C R H <> S+ 0 0 6 -3,-1.1 4,-1.9 -6,-0.2 -1,-0.2 0.871 78.3 54.6 -73.0 -38.9 9.7 45.9 7.3 401 415 C F H > S+ 0 0 4 -3,-0.4 4,-1.7 -4,-0.3 3,-0.2 0.948 112.6 43.2 -58.2 -50.2 9.7 45.2 11.1 402 416 C A H > S+ 0 0 3 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.830 108.6 60.4 -64.3 -34.4 9.2 41.4 10.5 403 417 C K H < S+ 0 0 56 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 105.5 47.5 -59.9 -42.4 11.7 41.5 7.6 404 418 C L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.2 0.905 111.3 49.6 -66.4 -44.3 14.5 42.7 10.1 405 419 C L H >< S+ 0 0 3 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.826 101.9 65.1 -64.1 -32.2 13.6 40.0 12.7 406 420 C L T 3< S+ 0 0 7 -4,-1.9 4,-0.3 1,-0.3 -1,-0.3 0.284 88.2 66.0 -82.3 11.9 13.7 37.3 10.0 407 421 C R T <> S+ 0 0 18 -3,-1.3 4,-2.4 2,-0.1 -1,-0.3 0.488 84.9 79.1 -97.4 -7.6 17.4 37.7 9.3 408 422 C L H <> S+ 0 0 6 -3,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.834 86.7 51.8 -72.5 -38.1 18.0 36.4 12.8 409 423 C P H > S+ 0 0 7 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.915 113.9 46.3 -61.7 -40.3 17.6 32.7 12.1 410 424 C A H 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