==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR RECEPTOR 05-JAN-04 1S0X . COMPND 2 MOLECULE: NUCLEAR RECEPTOR ROR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.KALLEN,J.M.SCHLAEPPI,F.BITSCH,I.DELHON,B.FOURNIER . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 80.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 1 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 261 A H > 0 0 149 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -68.0 -17.5 28.1 -11.0 2 262 A H H > + 0 0 151 1,-0.2 4,-1.4 2,-0.2 0, 0.0 0.885 360.0 47.8 -46.4 -42.2 -16.7 30.9 -13.4 3 263 A L H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.894 108.3 55.2 -65.8 -39.2 -15.4 32.8 -10.3 4 264 A E H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.875 106.6 51.3 -61.6 -35.3 -13.4 29.7 -9.2 5 265 A V H < S+ 0 0 78 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.868 105.2 55.3 -70.7 -35.4 -11.7 29.8 -12.6 6 266 A L H < S+ 0 0 134 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.666 117.1 36.2 -69.7 -18.2 -10.8 33.4 -12.3 7 267 A F H X S+ 0 0 127 -4,-0.9 4,-2.7 -3,-0.5 5,-0.3 0.617 84.4 102.4-107.8 -18.7 -9.0 32.8 -8.9 8 268 A Q H X S+ 0 0 128 -4,-1.6 4,-1.7 2,-0.2 -2,-0.1 0.758 79.7 54.3 -37.5 -44.9 -7.5 29.3 -9.5 9 269 A G H >> S+ 0 0 46 -4,-0.4 3,-1.4 2,-0.2 4,-1.1 0.973 118.1 26.5 -56.5 -85.3 -4.0 30.7 -10.1 10 270 A P H 3> S+ 0 0 82 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.788 115.6 65.3 -49.9 -34.2 -3.2 32.8 -7.0 11 271 A A H 3X S+ 0 0 50 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.926 101.4 50.8 -55.9 -43.8 -5.6 30.7 -5.0 12 272 A E H X S+ 0 0 1 -4,-2.4 3,-1.0 2,-0.2 4,-0.6 0.918 109.0 50.9 -61.8 -49.1 6.0 25.2 10.2 25 285 A L H >< S+ 0 0 100 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.911 113.1 46.6 -55.2 -42.8 3.9 26.6 13.1 26 286 A E H 3< S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.500 114.1 45.7 -84.2 -5.5 3.1 23.1 14.3 27 287 A T H << S+ 0 0 4 -3,-1.0 2,-0.4 -4,-0.6 50,-0.2 0.256 83.1 103.7-120.7 6.7 6.7 21.6 14.1 28 288 A C << - 0 0 17 -3,-0.7 42,-0.0 -4,-0.6 3,-0.0 -0.766 68.6-137.3 -83.8 140.5 8.8 24.4 15.7 29 289 A Q S S+ 0 0 69 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.875 84.8 27.4 -63.6 -36.1 9.9 23.5 19.3 30 290 A Y S S- 0 0 76 -3,-0.0 2,-0.2 4,-0.0 -1,-0.1 -0.920 82.9-109.2-130.8 153.1 9.1 27.1 20.5 31 291 A L > - 0 0 87 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.556 26.2-128.0 -79.5 143.0 6.7 30.0 19.6 32 292 A R H > S+ 0 0 34 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 110.8 50.0 -53.0 -50.4 8.3 33.0 18.1 33 293 A E H > S+ 0 0 105 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 108.2 52.7 -61.2 -42.8 6.7 35.3 20.6 34 294 A E H > S+ 0 0 82 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.941 110.9 47.8 -53.0 -52.4 7.9 33.1 23.5 35 295 A L H >< S+ 0 0 3 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.870 109.9 52.3 -61.0 -38.5 11.5 33.3 22.2 36 296 A Q H >< S+ 0 0 104 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.803 103.2 58.0 -68.8 -30.0 11.3 37.1 21.8 37 297 A Q H 3< S+ 0 0 149 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.640 108.5 44.8 -80.2 -13.2 10.1 37.8 25.3 38 298 A I T X< + 0 0 39 -3,-0.7 3,-1.4 -4,-0.6 -1,-0.2 0.081 68.9 115.1-118.6 25.1 13.1 36.1 27.0 39 299 A T T < S+ 0 0 39 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.743 74.5 64.2 -64.1 -21.9 16.1 37.4 25.0 40 300 A W T 3 S+ 0 0 178 -3,-0.2 2,-2.2 1,-0.2 -1,-0.3 0.707 77.2 91.5 -73.6 -18.8 17.2 39.2 28.2 41 301 A Q < + 0 0 68 -3,-1.4 84,-3.0 85,-0.0 2,-0.2 -0.503 58.7 158.6 -77.0 74.7 17.7 35.8 29.9 42 302 A T B -a 125 0A 62 -2,-2.2 84,-0.2 82,-0.2 -2,-0.0 -0.579 50.8 -87.0 -92.9 159.8 21.4 35.4 29.0 43 303 A F - 0 0 12 82,-1.7 2,-0.1 -2,-0.2 -1,-0.1 -0.366 46.7-116.1 -62.5 146.9 23.7 33.1 30.9 44 304 A L >> - 0 0 104 1,-0.1 4,-2.4 -3,-0.1 3,-0.5 -0.470 30.0-102.2 -81.4 160.1 25.3 34.7 34.0 45 305 A Q H 3> S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 122.7 54.0 -52.4 -36.9 29.1 35.2 34.0 46 306 A E H 3> S+ 0 0 155 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 109.7 46.6 -65.4 -43.0 29.5 32.2 36.4 47 307 A E H <> S+ 0 0 62 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.869 109.9 54.8 -66.1 -37.0 27.5 29.9 34.0 48 308 A I H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.971 108.3 48.7 -62.8 -49.4 29.6 31.3 31.1 49 309 A E H X S+ 0 0 93 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.913 107.5 55.3 -55.4 -47.8 32.8 30.3 32.9 50 310 A N H X S+ 0 0 84 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.933 108.9 46.7 -52.4 -46.6 31.5 26.8 33.6 51 311 A Y H < S+ 0 0 16 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.891 113.1 50.5 -64.7 -36.2 30.8 26.2 29.9 52 312 A Q H < S+ 0 0 52 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.776 106.7 55.5 -71.0 -24.3 34.3 27.6 29.2 53 313 A N H < S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.695 87.0 102.6 -78.6 -20.4 35.7 25.2 31.8 54 314 A K S < S- 0 0 66 -4,-1.1 2,-0.1 -3,-0.5 -3,-0.0 -0.326 80.2-105.5 -65.7 148.8 34.2 22.1 30.1 55 315 A Q >> - 0 0 122 1,-0.1 4,-2.4 4,-0.0 3,-0.6 -0.384 29.2-108.2 -73.2 152.8 36.4 19.9 28.1 56 316 A R H 3> S+ 0 0 68 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.879 119.1 46.3 -46.9 -51.6 36.3 20.0 24.3 57 317 A E H 3> S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.847 111.9 53.6 -67.6 -29.5 34.7 16.6 23.9 58 318 A V H <> S+ 0 0 61 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.922 109.5 45.5 -68.5 -47.1 32.2 17.5 26.6 59 319 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.910 112.2 53.4 -65.1 -41.2 31.0 20.7 25.0 60 320 A W H X S+ 0 0 14 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.910 107.6 49.9 -59.2 -43.6 30.8 18.9 21.6 61 321 A Q H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.934 111.3 49.7 -63.0 -41.3 28.5 16.2 23.0 62 322 A L H X S+ 0 0 29 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.955 111.5 46.8 -62.3 -52.6 26.2 18.7 24.6 63 323 A C H X S+ 0 0 22 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.885 111.3 52.7 -57.7 -39.6 25.9 20.8 21.4 64 324 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.897 109.6 48.5 -65.4 -41.0 25.3 17.6 19.4 65 325 A I H X S+ 0 0 55 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.949 114.2 46.2 -59.3 -49.4 22.5 16.6 21.8 66 326 A K H X S+ 0 0 59 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.926 114.6 46.8 -63.2 -43.7 20.9 20.0 21.6 67 327 A I H X S+ 0 0 41 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.844 107.2 57.7 -65.2 -35.4 21.2 20.2 17.7 68 328 A T H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.919 102.4 54.8 -64.8 -38.0 19.8 16.7 17.4 69 329 A E H X S+ 0 0 61 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.928 109.3 46.8 -56.9 -49.1 16.7 17.9 19.3 70 330 A A H X S+ 0 0 31 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.887 109.3 54.8 -61.5 -40.0 16.1 20.7 16.8 71 331 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.868 99.9 60.5 -60.2 -37.2 16.7 18.3 13.8 72 332 A Q H X S+ 0 0 107 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.913 106.0 47.9 -58.0 -39.3 14.0 16.0 15.2 73 333 A Y H X S+ 0 0 87 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.829 108.4 53.5 -69.6 -35.1 11.5 18.9 14.8 74 334 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.856 103.8 56.4 -69.2 -33.0 12.8 19.6 11.2 75 335 A V H X S+ 0 0 36 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 105.9 51.6 -64.4 -36.5 12.2 15.9 10.3 76 336 A E H X S+ 0 0 79 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.910 108.2 52.1 -66.2 -41.0 8.5 16.4 11.4 77 337 A F H >< S+ 0 0 0 -4,-1.8 3,-0.9 -50,-0.2 4,-0.3 0.959 108.0 50.7 -55.7 -52.4 8.3 19.5 9.2 78 338 A A H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 6,-0.2 0.924 102.3 60.9 -52.8 -49.3 9.6 17.5 6.1 79 339 A K H 3< S+ 0 0 100 -4,-2.2 6,-0.3 1,-0.3 -1,-0.2 0.827 105.6 48.3 -48.6 -35.0 7.1 14.8 6.6 80 340 A R T << S+ 0 0 96 -4,-1.1 2,-0.5 -3,-0.9 -1,-0.3 0.404 82.7 107.8 -89.3 -1.5 4.3 17.3 6.1 81 341 A I S X> S- 0 0 5 -3,-2.5 3,-1.8 -4,-0.3 4,-0.7 -0.703 81.1-112.9 -81.4 127.9 5.6 18.9 3.0 82 342 A D T 34 S+ 0 0 95 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.444 100.9 20.0 -67.3 115.5 3.5 17.8 0.1 83 343 A G T 3> S+ 0 0 6 -2,-0.5 4,-0.6 -4,-0.2 3,-0.3 -0.051 99.0 92.0 118.1 -26.3 5.5 15.6 -2.2 84 344 A F T X4 S+ 0 0 5 -3,-1.8 3,-1.2 1,-0.3 -2,-0.1 0.933 87.7 47.7 -69.0 -43.8 8.2 14.7 0.3 85 345 A M T 3< S+ 0 0 107 -4,-0.7 -1,-0.3 -6,-0.3 -3,-0.1 0.669 105.1 61.8 -72.1 -17.3 6.4 11.5 1.4 86 346 A E T 34 S+ 0 0 143 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.605 87.5 94.1 -80.4 -12.8 5.8 10.6 -2.3 87 347 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.6 -4,-0.0 -0.387 90.9 -91.3 -78.7 158.5 9.6 10.4 -3.0 88 348 A C >> - 0 0 36 1,-0.1 4,-2.4 -2,-0.1 3,-1.2 -0.406 39.4-111.0 -64.5 145.8 11.6 7.1 -2.7 89 349 A Q H 3> S+ 0 0 139 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.818 118.7 60.6 -46.8 -34.0 13.1 6.6 0.7 90 350 A N H 3> S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.890 106.9 41.1 -64.3 -45.6 16.5 7.2 -0.9 91 351 A D H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 5,-0.2 0.875 111.7 57.3 -72.6 -34.9 15.6 10.7 -2.1 92 352 A Q H X S+ 0 0 33 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.942 110.4 45.4 -54.8 -47.0 13.9 11.4 1.3 93 353 A I H X S+ 0 0 69 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.898 110.4 51.5 -65.2 -45.7 17.2 10.5 3.0 94 354 A V H X S+ 0 0 30 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.886 110.6 49.1 -61.1 -40.3 19.4 12.5 0.7 95 355 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.854 114.6 44.9 -68.9 -36.9 17.3 15.7 1.2 96 356 A L H X S+ 0 0 25 -4,-1.7 4,-2.3 -5,-0.2 5,-0.3 0.887 111.2 51.2 -74.1 -42.1 17.3 15.3 5.0 97 357 A K H < S+ 0 0 110 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.911 121.9 35.3 -61.1 -39.6 21.0 14.5 5.3 98 358 A A H < S+ 0 0 36 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.827 129.6 29.3 -84.1 -32.3 21.7 17.6 3.2 99 359 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.636 91.2 84.3-105.8 -14.4 19.0 19.9 4.3 100 360 A S H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -3,-0.1 0.930 98.2 44.3 -60.9 -43.2 18.1 19.2 7.9 101 361 A L H > S+ 0 0 4 -5,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.880 109.3 56.5 -66.5 -39.2 20.9 21.4 9.3 102 362 A E H > S+ 0 0 4 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.904 107.1 49.5 -58.5 -40.4 20.3 24.2 6.9 103 363 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.884 107.4 55.7 -68.1 -33.0 16.6 24.4 8.1 104 364 A V H X S+ 0 0 17 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.936 108.2 47.2 -61.6 -45.6 17.9 24.5 11.7 105 365 A F H < S+ 0 0 13 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.824 111.4 51.2 -70.0 -28.1 20.1 27.5 10.9 106 366 A I H >< S+ 0 0 0 -4,-1.7 3,-2.1 -5,-0.2 4,-0.3 0.980 111.1 47.4 -67.7 -54.5 17.2 29.2 9.2 107 367 A R H >< S+ 0 0 24 -4,-3.0 3,-2.0 1,-0.3 4,-0.5 0.787 95.3 78.2 -55.9 -26.8 15.0 28.5 12.2 108 368 A M G >< S+ 0 0 24 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.819 79.6 69.5 -51.2 -31.3 17.8 29.9 14.4 109 369 A C G X S+ 0 0 6 -3,-2.1 3,-0.9 -4,-0.5 -1,-0.3 0.804 92.7 56.6 -64.2 -22.8 16.8 33.4 13.4 110 370 A R G < S+ 0 0 17 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.658 113.7 41.0 -76.4 -16.4 13.6 33.0 15.5 111 371 A A G < S+ 0 0 16 -3,-1.7 9,-2.3 -4,-0.5 2,-0.4 -0.164 98.1 98.0-123.2 35.1 15.8 32.3 18.5 112 372 A F E < -B 119 0A 15 -3,-0.9 2,-0.8 7,-0.2 7,-0.2 -0.992 59.7-148.0-133.6 133.8 18.5 34.8 17.9 113 373 A D E >> -B 118 0A 19 5,-3.0 5,-1.4 -2,-0.4 4,-1.1 -0.851 13.9-172.7-102.9 98.9 18.9 38.3 19.4 114 374 A S T 45S+ 0 0 37 -2,-0.8 3,-0.3 1,-0.2 -1,-0.2 0.871 78.9 55.5 -60.9 -40.5 20.6 40.4 16.7 115 375 A Q T 45S+ 0 0 187 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.882 120.9 29.9 -64.3 -36.9 21.2 43.5 18.8 116 376 A N T 45S- 0 0 110 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.408 103.6-123.0-104.4 1.2 23.1 41.6 21.4 117 377 A N T <5 + 0 0 43 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.974 62.9 136.3 56.2 58.6 24.6 38.7 19.3 118 378 A T E < -B 113 0A 8 -5,-1.4 -5,-3.0 9,-0.1 2,-0.4 -0.989 39.3-154.8-140.2 149.7 23.1 35.8 21.3 119 379 A V E -BC 112 126A 17 7,-2.5 7,-2.7 -2,-0.3 2,-0.3 -0.958 30.9-104.8-128.1 142.5 21.4 32.6 20.5 120 380 A Y E + C 0 125A 54 -9,-2.3 2,-0.3 -2,-0.4 5,-0.2 -0.492 55.4 156.6 -66.7 120.6 18.9 30.5 22.5 121 381 A F E > - C 0 124A 19 3,-3.0 3,-1.5 -2,-0.3 -58,-0.0 -0.949 58.1 -13.6-154.6 125.0 20.9 27.5 23.8 122 382 A D T 3 S- 0 0 64 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.832 129.5 -43.0 50.7 40.9 20.4 25.1 26.8 123 383 A G T 3 S+ 0 0 45 1,-0.2 2,-0.3 -80,-0.0 -1,-0.2 0.224 126.8 54.5 95.3 -15.3 17.8 27.2 28.5 124 384 A K E < S- C 0 121A 55 -3,-1.5 -3,-3.0 -5,-0.1 2,-0.4 -0.884 90.7 -85.9-140.7 175.6 19.2 30.7 28.1 125 385 A Y E -aC 42 120A 3 -84,-3.0 -82,-1.7 -2,-0.3 2,-0.4 -0.743 47.9-155.8 -89.7 132.2 20.6 33.1 25.5 126 386 A A E - C 0 119A 1 -7,-2.7 -7,-2.5 -2,-0.4 -4,-0.0 -0.917 10.7-147.1-117.6 134.8 24.3 32.5 24.7 127 387 A S > - 0 0 28 -2,-0.4 3,-1.6 -9,-0.2 4,-0.4 -0.397 44.1 -95.6 -83.7 167.4 27.0 34.7 23.4 128 388 A P G > S+ 0 0 35 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.752 120.9 72.8 -56.4 -25.4 29.8 33.2 21.2 129 389 A D G > S+ 0 0 91 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.775 83.6 66.8 -59.2 -31.0 31.9 32.9 24.4 130 390 A V G < S+ 0 0 0 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.765 101.5 49.3 -61.5 -25.8 29.7 30.1 25.6 131 391 A F G X S+ 0 0 18 -3,-1.3 3,-1.7 -4,-0.4 5,-0.5 0.280 73.9 111.3-101.2 12.4 31.0 27.9 22.8 132 392 A K G X S+ 0 0 113 -3,-1.4 3,-2.1 1,-0.3 -1,-0.2 0.854 70.3 61.8 -53.2 -43.3 34.8 28.6 23.3 133 393 A S G 3 S+ 0 0 20 -3,-0.3 -1,-0.3 1,-0.3 -73,-0.2 0.622 85.9 75.6 -63.0 -15.1 35.6 25.0 24.4 134 394 A L G < S- 0 0 10 -3,-1.7 -1,-0.3 -75,-0.1 -2,-0.2 0.747 98.2-135.5 -65.7 -21.9 34.4 23.7 21.1 135 395 A G S < S+ 0 0 49 -3,-2.1 -2,-0.1 -4,-0.3 3,-0.1 0.788 73.6 110.2 70.0 29.5 37.7 24.9 19.7 136 396 A C > + 0 0 3 -5,-0.5 4,-2.7 -4,-0.2 5,-0.3 -0.394 25.6 153.9-131.1 54.7 35.9 26.4 16.6 137 397 A E H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 77.5 48.2 -53.5 -43.0 36.0 30.2 16.9 138 398 A D H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 112.7 45.6 -66.9 -47.4 35.7 30.6 13.1 139 399 A F H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 114.9 49.6 -59.9 -40.1 32.8 28.3 12.6 140 400 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.933 109.7 50.2 -67.1 -42.0 31.0 29.8 15.6 141 401 A S H X S+ 0 0 67 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.877 109.5 52.0 -64.3 -34.0 31.6 33.3 14.3 142 402 A F H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.902 108.3 51.9 -65.0 -42.0 30.1 32.3 10.9 143 403 A V H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.935 112.8 43.6 -62.1 -46.2 27.0 30.9 12.7 144 404 A F H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.873 111.6 53.9 -69.4 -32.9 26.4 34.1 14.6 145 405 A E H X S+ 0 0 134 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.920 108.9 49.5 -67.1 -40.9 27.1 36.2 11.5 146 406 A F H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.897 110.2 50.9 -62.1 -41.1 24.5 34.1 9.6 147 407 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.951 111.9 47.2 -62.4 -48.3 22.0 34.6 12.5 148 408 A K H X S+ 0 0 87 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.902 111.9 50.6 -57.9 -41.7 22.6 38.3 12.4 149 409 A S H < S+ 0 0 30 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.881 112.2 44.6 -71.1 -37.2 22.3 38.5 8.7 150 410 A L H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 5,-0.4 0.888 112.6 53.4 -72.6 -38.7 18.9 36.6 8.5 151 411 A C H >< S+ 0 0 20 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.891 96.4 66.4 -59.3 -42.3 17.6 38.6 11.4 152 412 A S T 3< S+ 0 0 61 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.611 96.2 58.5 -57.2 -12.6 18.4 41.9 9.6 153 413 A M T < S- 0 0 17 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.581 96.7-142.3 -93.6 -9.8 15.7 40.9 7.1 154 414 A H < - 0 0 148 -3,-2.4 2,-0.2 -4,-0.3 -3,-0.1 0.955 25.8-165.9 47.3 61.1 12.9 40.7 9.7 155 415 A L - 0 0 9 -5,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.565 13.1-126.3 -78.3 143.1 11.3 37.7 8.0 156 416 A T > - 0 0 47 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.329 28.4-101.6 -79.9 169.7 7.9 36.8 9.1 157 417 A E H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 124.7 49.3 -60.4 -39.7 6.9 33.3 10.2 158 418 A D H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 109.5 52.1 -68.8 -34.1 5.4 32.5 6.8 159 419 A E H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 110.0 48.5 -66.1 -42.2 8.5 33.7 5.1 160 420 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.875 110.7 52.2 -66.1 -37.9 10.7 31.5 7.2 161 421 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.893 111.1 44.0 -62.9 -47.4 8.5 28.5 6.6 162 422 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.822 113.5 51.7 -71.8 -31.4 8.5 28.9 2.8 163 423 A F H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.869 109.4 50.8 -71.7 -38.2 12.2 29.5 2.8 164 424 A S H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.911 111.1 47.3 -59.4 -48.4 12.7 26.4 4.9 165 425 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.809 110.3 56.3 -64.3 -28.2 10.6 24.3 2.5 166 426 A F H < S+ 0 0 12 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.959 110.4 38.8 -69.4 -56.6 12.6 25.8 -0.5 167 427 A V H < S+ 0 0 2 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.652 114.7 58.4 -74.1 -10.6 16.2 24.8 0.6 168 428 A L H < S+ 0 0 0 -4,-0.9 2,-1.1 1,-0.2 -1,-0.2 0.889 104.5 47.1 -82.2 -43.9 14.9 21.5 1.8 169 429 A M S < S+ 0 0 1 -4,-1.5 2,-0.5 -3,-0.1 -1,-0.2 -0.549 79.5 153.3 -95.6 64.8 13.4 20.4 -1.5 170 430 A S > - 0 0 1 -2,-1.1 3,-0.8 -3,-0.4 13,-0.1 -0.839 37.9-153.6 -97.4 134.8 16.5 21.3 -3.6 171 431 A A T 3 S+ 0 0 4 -2,-0.5 5,-0.1 1,-0.2 12,-0.1 0.524 85.0 69.6 -85.6 -3.6 16.9 19.3 -6.8 172 432 A D T 3 + 0 0 85 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.443 62.1 121.5 -98.4 6.5 20.6 19.7 -6.9 173 433 A R S X S- 0 0 16 -3,-0.8 3,-0.9 1,-0.1 -78,-0.1 -0.425 73.3-102.3 -61.1 143.8 21.6 17.6 -3.9 174 434 A S T 3 S+ 0 0 75 1,-0.2 -1,-0.1 -80,-0.1 -2,-0.1 -0.329 98.6 23.8 -65.2 149.9 24.0 14.9 -5.1 175 435 A W T 3 S+ 0 0 224 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.620 79.2 150.3 73.6 18.9 22.7 11.4 -5.6 176 436 A L < - 0 0 16 -3,-0.9 3,-0.3 1,-0.1 -1,-0.2 -0.684 31.4-163.7 -81.9 136.5 19.0 12.2 -6.1 177 437 A Q S S+ 0 0 129 -2,-0.4 2,-1.1 1,-0.2 3,-0.3 0.939 83.8 46.5 -81.8 -50.6 17.0 9.8 -8.4 178 438 A E > + 0 0 55 1,-0.2 4,-2.1 2,-0.1 5,-0.3 -0.440 62.7 151.2 -96.0 65.5 13.9 12.0 -9.1 179 439 A K H > S+ 0 0 90 -2,-1.1 4,-2.4 -3,-0.3 -1,-0.2 0.866 71.7 53.6 -61.7 -39.1 15.5 15.3 -10.0 180 440 A V H > S+ 0 0 106 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.910 110.4 44.0 -67.0 -44.2 12.7 16.3 -12.3 181 441 A K H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.948 115.7 48.1 -65.9 -45.3 9.8 15.8 -9.7 182 442 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.924 111.1 52.5 -62.6 -40.4 11.8 17.5 -6.9 183 443 A E H X S+ 0 0 77 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.922 107.0 50.4 -60.4 -45.1 12.6 20.4 -9.3 184 444 A K H X S+ 0 0 116 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.891 111.9 50.1 -62.0 -37.5 8.9 20.9 -10.2 185 445 A L H X S+ 0 0 34 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 108.2 50.7 -65.5 -42.3 8.1 21.0 -6.5 186 446 A Q H X S+ 0 0 23 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.889 106.4 56.8 -64.8 -37.3 10.8 23.6 -5.6 187 447 A Q H X S+ 0 0 87 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.909 108.0 46.5 -60.1 -44.6 9.5 25.8 -8.4 188 448 A K H X S+ 0 0 125 -4,-1.5 4,-2.5 2,-0.2 3,-0.3 0.943 111.9 50.4 -61.3 -48.8 6.1 25.9 -6.9 189 449 A I H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.904 109.7 52.6 -56.6 -40.6 7.4 26.6 -3.4 190 450 A Q H X S+ 0 0 67 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.843 107.8 49.0 -67.2 -33.5 9.5 29.4 -4.9 191 451 A L H X S+ 0 0 89 -4,-1.6 4,-2.6 -3,-0.3 -1,-0.2 0.909 112.6 49.6 -71.7 -38.3 6.5 31.1 -6.6 192 452 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.877 109.8 51.0 -63.4 -38.8 4.7 30.8 -3.3 193 453 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.924 110.6 47.7 -65.5 -45.2 7.6 32.3 -1.4 194 454 A Q H X S+ 0 0 81 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.931 108.4 56.9 -61.0 -44.0 7.8 35.2 -3.9 195 455 A H H X S+ 0 0 37 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.940 112.4 39.9 -50.0 -53.0 4.0 35.7 -3.4 196 456 A V H X S+ 0 0 3 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.738 111.8 57.0 -73.9 -25.3 4.4 36.0 0.4 197 457 A L H >X S+ 0 0 18 -4,-1.8 4,-1.7 1,-0.2 3,-1.1 0.946 109.2 44.8 -68.8 -47.7 7.5 38.1 0.1 198 458 A Q H 3X S+ 0 0 66 -4,-2.7 4,-0.8 1,-0.3 -2,-0.2 0.746 99.1 72.6 -70.5 -20.9 5.8 40.8 -2.0 199 459 A K H 3< S+ 0 0 106 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.829 112.5 26.0 -59.7 -29.2 2.8 40.7 0.2 200 460 A N H << S+ 0 0 70 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.761 136.1 15.6-108.5 -33.9 4.8 42.6 2.9 201 461 A H H >< + 0 0 72 -4,-1.7 3,-2.0 1,-0.1 5,-0.3 -0.314 45.2 160.0-148.0 59.5 7.6 44.5 1.1 202 462 A R T 3< + 0 0 195 -4,-0.8 -4,-0.1 1,-0.3 -1,-0.1 0.483 64.9 102.3 -56.6 6.7 7.2 45.0 -2.6 203 463 A E T 3 S- 0 0 118 -5,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.686 94.4 -5.3 -62.6 -24.4 9.6 47.7 -1.3 204 464 A D S < S- 0 0 114 -3,-2.0 -3,-0.1 -6,-0.0 3,-0.1 -0.650 74.8-104.4-146.5-159.4 12.5 45.7 -2.7 205 465 A G > + 0 0 49 -2,-0.2 3,-1.7 1,-0.0 4,-0.5 -0.445 48.4 158.2-137.9 58.7 13.2 42.3 -4.3 206 466 A I T 3> + 0 0 40 -5,-0.3 4,-2.7 1,-0.3 5,-0.2 0.568 53.9 88.6 -66.1 -13.2 14.7 40.5 -1.3 207 467 A L H 3> S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.864 91.0 48.4 -51.3 -36.6 13.9 37.1 -2.8 208 468 A T H <> S+ 0 0 102 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.893 109.9 48.9 -73.7 -42.5 17.3 37.4 -4.5 209 469 A K H > S+ 0 0 99 -4,-0.5 4,-0.6 2,-0.2 -2,-0.2 0.818 115.6 47.0 -64.2 -30.6 19.1 38.4 -1.3 210 470 A L H >X S+ 0 0 0 -4,-2.7 3,-1.2 2,-0.2 4,-0.8 0.934 111.9 47.3 -74.8 -48.8 17.3 35.4 0.4 211 471 A I H 3X S+ 0 0 59 -4,-2.9 4,-0.6 1,-0.3 3,-0.4 0.781 105.2 63.6 -64.7 -24.8 18.1 33.0 -2.4 212 472 A C H >X S+ 0 0 84 -4,-1.8 3,-0.7 1,-0.2 4,-0.7 0.828 95.1 59.1 -63.4 -33.3 21.6 34.3 -2.1 213 473 A K H XX S+ 0 0 40 -3,-1.2 4,-2.4 -4,-0.6 3,-0.5 0.774 86.8 77.2 -68.8 -26.7 21.8 32.9 1.4 214 474 A V H 3X S+ 0 0 20 -4,-0.8 4,-1.3 -3,-0.4 -1,-0.2 0.893 94.6 48.0 -51.4 -43.7 21.1 29.5 0.1 215 475 A S H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.9 0.871 108.7 55.9 -72.1 -39.1 36.8 16.0 16.0 232 492 A K H 3< S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.724 98.9 61.4 -69.9 -18.3 35.9 12.4 15.2 233 493 A A H 3< S+ 0 0 82 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.772 113.4 36.2 -77.1 -22.4 39.6 11.7 14.3 234 494 A I H << S+ 0 0 99 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.688 129.4 29.9-101.4 -23.4 40.6 12.6 17.8 235 495 A Y >X + 0 0 57 -4,-1.7 4,-2.0 1,-0.1 3,-0.7 -0.347 66.0 154.2-133.8 55.8 37.7 11.2 19.8 236 496 A P H 3> S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.822 76.9 47.1 -57.6 -36.9 36.4 8.3 17.9 237 497 A D H 3> S+ 0 0 98 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.779 106.2 57.3 -79.4 -27.6 34.9 6.5 20.9 238 498 A I H <>>S+ 0 0 44 -3,-0.7 4,-2.8 2,-0.2 5,-0.7 0.955 111.8 43.9 -62.9 -46.5 33.2 9.6 22.3 239 499 A V H X5S+ 0 0 8 -4,-2.0 4,-1.2 3,-0.2 -2,-0.2 0.935 117.7 44.7 -63.8 -45.4 31.4 9.9 19.0 240 500 A R H <5S+ 0 0 137 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.940 125.7 28.2 -67.2 -47.9 30.6 6.2 18.9 241 501 A L H <5S+ 0 0 100 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.727 132.2 27.1 -89.6 -22.8 29.5 5.8 22.5 242 502 A H H <5S+ 0 0 96 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.527 91.2 94.8-123.5 -5.2 28.1 9.2 23.5 243 503 A F S <> - 0 0 21 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.380 28.9-127.7 -63.3 136.8 23.1 10.8 19.6 245 505 A P H 3> S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.821 107.0 53.5 -54.6 -39.8 22.3 8.1 17.0 246 506 A L H 3> S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.860 108.6 49.9 -66.4 -37.2 20.4 10.4 14.7 247 507 A Y H <> S+ 0 0 6 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.902 111.6 49.3 -64.1 -44.4 23.3 12.9 14.5 248 508 A K H < S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.941 111.2 49.4 -58.9 -47.7 25.7 10.0 13.7 249 509 A E H < S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.9 42.3 -61.4 -36.2 23.3 8.7 11.0 250 510 A L H < 0 0 27 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.780 360.0 360.0 -83.0 -27.9 23.1 12.2 9.5 251 511 A F < 0 0 45 -4,-2.0 -2,-0.2 -3,-0.1 -3,-0.2 0.523 360.0 360.0-128.1 360.0 26.6 13.5 9.6