==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 15-NOV-06 2J9Q . COMPND 2 MOLECULE: PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.A.STANLEY,M.WILMANNS,P.KURSULA . 569 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 75.6 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 . 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 . 25 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.2 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 0 1 2 2 0 1 1 3 7 8 1 2 1 1 1 0 0 0 0 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 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 1 312 A G 0 0 99 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 116.2 17.5 19.7 -4.5 2 313 A M - 0 0 27 3,-0.1 3,-0.1 96,-0.0 112,-0.1 -0.332 360.0 -41.8-148.7 54.8 17.4 15.9 -4.7 3 314 A G S S+ 0 0 3 1,-0.4 2,-0.2 106,-0.1 107,-0.1 0.216 113.1 106.6 101.9 -11.1 18.2 14.7 -8.2 4 315 A L - 0 0 44 106,-0.1 -1,-0.4 4,-0.0 2,-0.2 -0.496 55.4-146.6 -95.9 166.4 16.2 17.4 -9.9 5 316 A T > - 0 0 76 -2,-0.2 3,-0.8 3,-0.1 -3,-0.1 -0.655 36.4 -93.1-120.2 176.8 17.2 20.6 -11.7 6 317 A S T 3 S+ 0 0 113 1,-0.3 2,-0.8 -2,-0.2 -1,-0.0 0.909 127.7 42.0 -57.2 -47.0 15.7 24.1 -12.1 7 318 A A T 3 S+ 0 0 88 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 -0.490 108.0 78.6 -98.7 59.8 13.9 23.0 -15.3 8 319 A T < - 0 0 62 -3,-0.8 2,-0.3 -2,-0.8 -3,-0.1 -0.848 53.6-173.4-172.6 126.2 12.8 19.6 -13.9 9 320 A Y - 0 0 198 -2,-0.2 -3,-0.0 -5,-0.1 -2,-0.0 -0.950 39.7 -84.3-132.6 146.0 10.1 18.5 -11.6 10 321 A D - 0 0 39 -2,-0.3 3,-0.0 1,-0.1 -1,-0.0 -0.135 34.2-123.6 -56.2 139.8 9.3 15.1 -10.0 11 322 A K - 0 0 118 64,-0.1 -1,-0.1 1,-0.1 65,-0.1 0.741 52.4-115.7 -52.8 -28.6 7.3 12.7 -12.2 12 323 A G - 0 0 30 2,-0.0 2,-0.6 64,-0.0 67,-0.1 0.446 24.4 -91.9 92.0 126.0 4.7 12.4 -9.3 13 324 A Y - 0 0 15 66,-0.1 2,-0.8 65,-0.1 63,-0.1 -0.596 38.9-147.5 -70.2 115.9 3.9 9.2 -7.4 14 325 A Q - 0 0 110 -2,-0.6 2,-0.2 3,-0.0 -1,-0.1 -0.785 13.3-143.5 -89.4 110.3 1.1 7.5 -9.3 15 326 A F - 0 0 53 -2,-0.8 2,-0.8 1,-0.1 30,-0.0 -0.473 27.2-100.7 -73.8 139.6 -1.1 5.7 -6.7 16 327 A E - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.479 44.2-133.2 -58.1 101.6 -2.6 2.3 -7.7 17 328 A E S S+ 0 0 157 -2,-0.8 -1,-0.1 1,-0.1 -3,-0.0 -0.410 88.2 32.1 -63.2 139.2 -6.2 3.6 -8.4 18 329 A E S S- 0 0 189 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.968 78.6-175.2 64.2 80.9 -8.7 1.3 -6.7 19 330 A N > - 0 0 19 1,-0.1 3,-1.9 26,-0.0 4,-0.3 -0.946 17.1-155.6-109.0 113.0 -6.6 0.3 -3.7 20 331 A P T 3 S+ 0 0 101 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.688 94.4 43.5 -69.6 -18.6 -8.6 -2.3 -1.6 21 332 A L T 3 S+ 0 0 53 1,-0.1 28,-0.1 21,-0.0 21,-0.0 0.042 77.3 112.1-110.3 23.8 -6.7 -1.4 1.7 22 333 A R S < S+ 0 0 92 -3,-1.9 2,-0.9 1,-0.2 -1,-0.1 0.948 75.8 56.5 -56.9 -52.0 -7.0 2.4 1.1 23 334 A D S S+ 0 0 143 -4,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.776 76.4 139.8 -80.7 105.2 -9.4 2.5 4.1 24 335 A H - 0 0 48 -2,-0.9 -3,-0.0 1,-0.1 6,-0.0 -0.982 55.1-129.6-144.2 141.9 -7.5 1.0 7.0 25 336 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.960 103.9 10.0 -53.8 -57.3 -7.3 2.1 10.6 26 337 A Q S > S+ 0 0 119 1,-0.1 4,-1.5 -3,-0.1 5,-0.2 -0.795 71.9 174.8-127.2 86.4 -3.5 2.1 10.9 27 338 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.911 75.6 49.0 -55.3 -51.7 -2.0 1.7 7.4 28 339 A F H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.916 109.8 48.8 -62.4 -49.8 1.7 2.2 8.3 29 340 A E H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.896 116.1 43.8 -59.4 -43.5 1.9 -0.2 11.2 30 341 A E H X S+ 0 0 50 -4,-1.5 4,-3.3 2,-0.2 -1,-0.2 0.828 110.2 57.6 -68.9 -33.1 0.2 -3.0 9.2 31 342 A G H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.947 107.9 45.4 -59.0 -50.0 2.4 -2.0 6.2 32 343 A L H X S+ 0 0 41 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.821 115.0 50.5 -59.2 -34.0 5.5 -2.7 8.4 33 344 A R H X S+ 0 0 121 -4,-1.4 4,-1.3 -5,-0.2 -2,-0.2 0.905 111.4 45.1 -71.6 -44.7 3.7 -5.9 9.5 34 345 A R H <>S+ 0 0 43 -4,-3.3 5,-1.5 1,-0.2 4,-0.4 0.687 110.8 56.3 -73.9 -20.3 2.9 -7.1 5.9 35 346 A L H ><5S+ 0 0 43 -4,-1.6 3,-0.8 -5,-0.2 -2,-0.2 0.908 103.8 51.6 -75.5 -46.1 6.4 -6.2 4.8 36 347 A Q H 3<5S+ 0 0 159 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.868 110.4 49.4 -57.3 -39.8 8.1 -8.4 7.4 37 348 A E T 3<5S- 0 0 119 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.601 122.6-106.5 -79.8 -13.6 6.0 -11.4 6.3 38 349 A G T < 5S+ 0 0 28 -3,-0.8 2,-1.6 -4,-0.4 -3,-0.2 0.283 75.0 133.2 112.8 -8.6 6.8 -10.8 2.7 39 350 A D >< + 0 0 8 -5,-1.5 4,-1.5 1,-0.2 -1,-0.2 -0.586 21.0 167.9 -78.0 89.9 3.7 -9.3 1.1 40 351 A L H > + 0 0 33 -2,-1.6 4,-3.2 2,-0.2 5,-0.2 0.905 69.7 58.2 -69.0 -43.3 5.2 -6.4 -0.8 41 352 A P H > S+ 0 0 52 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.899 111.9 39.7 -55.5 -47.3 2.1 -5.6 -2.9 42 353 A N H > S+ 0 0 41 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.849 112.3 57.1 -71.6 -35.8 -0.1 -5.0 0.2 43 354 A A H X S+ 0 0 0 -4,-1.5 4,-3.6 -9,-0.2 5,-0.3 0.962 111.6 43.2 -53.4 -52.3 2.8 -3.2 1.9 44 355 A V H X S+ 0 0 8 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.948 115.5 48.2 -57.0 -52.3 2.8 -0.9 -1.1 45 356 A L H X S+ 0 0 24 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.855 116.5 44.4 -56.4 -38.0 -1.0 -0.7 -1.1 46 357 A L H X S+ 0 0 1 -4,-3.5 4,-3.1 2,-0.2 -2,-0.2 0.919 113.8 46.9 -77.1 -45.3 -0.9 0.0 2.7 47 358 A F H X S+ 0 0 0 -4,-3.6 4,-2.5 -5,-0.2 -2,-0.2 0.850 111.7 53.5 -63.8 -33.5 2.0 2.5 2.6 48 359 A E H X S+ 0 0 4 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.867 110.4 46.8 -66.3 -37.8 0.2 4.2 -0.3 49 360 A A H X S+ 0 0 0 -4,-1.4 4,-3.2 -5,-0.2 5,-0.3 0.934 109.5 55.1 -63.7 -48.2 -2.9 4.4 1.9 50 361 A A H X S+ 0 0 5 -4,-3.1 4,-0.5 1,-0.2 -2,-0.2 0.924 114.2 38.9 -48.8 -53.3 -0.7 5.7 4.7 51 362 A V H < S+ 0 0 2 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.743 115.9 52.5 -73.9 -24.8 0.5 8.6 2.5 52 363 A Q H < S+ 0 0 58 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 114.5 40.6 -77.9 -38.7 -2.9 9.2 0.9 53 364 A Q H < S+ 0 0 84 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.449 135.6 21.0 -89.9 -1.2 -4.7 9.5 4.2 54 365 A D >< - 0 0 67 -4,-0.5 3,-1.1 -5,-0.3 -1,-0.3 -0.543 60.4-179.5-160.4 96.1 -1.8 11.5 5.6 55 366 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.661 82.6 65.3 -66.1 -16.8 0.6 13.2 3.2 56 367 A K T 3 + 0 0 165 1,-0.0 2,-1.2 4,-0.0 -5,-0.1 0.603 69.1 111.0 -80.3 -11.5 2.7 14.5 6.2 57 368 A H <> - 0 0 51 -3,-1.1 4,-1.5 -7,-0.2 -3,-0.1 -0.489 44.1-178.5 -72.6 96.9 3.8 11.1 7.3 58 369 A M H > S+ 0 0 53 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.883 78.0 52.3 -64.8 -43.0 7.5 11.2 6.5 59 370 A E H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.860 104.9 56.5 -64.6 -36.9 8.3 7.6 7.6 60 371 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 106.2 50.6 -59.8 -43.6 5.5 6.2 5.4 61 372 A W H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.862 108.9 52.8 -62.1 -37.9 7.1 7.8 2.4 62 373 A Q H X S+ 0 0 26 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.968 114.2 40.3 -58.8 -54.7 10.4 6.3 3.3 63 374 A Y H X S+ 0 0 71 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.804 114.1 52.8 -71.6 -29.7 8.9 2.8 3.6 64 375 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.898 112.0 48.6 -64.4 -40.9 6.8 3.3 0.5 65 376 A G H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.906 114.7 41.8 -65.3 -46.0 9.9 4.3 -1.3 66 377 A T H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.869 115.6 50.3 -72.7 -37.2 12.1 1.4 -0.2 67 378 A T H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.847 109.8 50.4 -68.2 -35.8 9.2 -1.1 -0.7 68 379 A Q H <>S+ 0 0 5 -4,-2.0 5,-2.9 2,-0.2 9,-0.3 0.796 108.7 53.0 -74.1 -27.7 8.6 0.2 -4.3 69 380 A A H ><5S+ 0 0 19 -4,-1.4 3,-1.4 3,-0.2 -2,-0.2 0.940 112.7 44.2 -62.8 -47.9 12.3 -0.2 -4.9 70 381 A E H 3<5S+ 0 0 36 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.813 107.2 59.4 -68.1 -31.2 12.0 -3.8 -3.7 71 382 A N T 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.306 119.0-111.0 -79.5 9.2 8.8 -4.3 -5.8 72 383 A E T < 5S+ 0 0 52 -3,-1.4 2,-0.3 1,-0.1 -3,-0.2 0.757 86.5 122.5 63.6 27.4 10.9 -3.4 -8.9 73 384 A Q >< + 0 0 74 -5,-2.9 4,-2.5 1,-0.2 3,-0.2 -0.533 28.2 160.2-110.7 61.2 9.0 -0.1 -9.3 74 385 A E H > + 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.835 68.1 54.2 -56.8 -41.5 12.1 2.0 -9.1 75 386 A L H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 112.5 43.0 -58.6 -50.1 10.6 5.1 -10.7 76 387 A L H > S+ 0 0 29 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.858 111.2 57.4 -66.0 -35.0 7.8 5.2 -8.2 77 388 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -9,-0.3 5,-0.2 0.966 105.6 49.1 -54.2 -55.9 10.4 4.4 -5.5 78 389 A I H X S+ 0 0 9 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.871 112.6 49.6 -53.0 -42.1 12.3 7.6 -6.5 79 390 A S H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 3,-0.4 0.983 111.6 45.5 -60.3 -60.3 9.1 9.6 -6.3 80 391 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.868 112.9 52.7 -52.5 -41.0 8.0 8.3 -2.9 81 392 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.3 0.877 107.1 51.7 -62.4 -39.7 11.6 8.9 -1.6 82 393 A R H X S+ 0 0 23 -4,-1.8 4,-1.2 -3,-0.4 -2,-0.2 0.818 106.3 53.3 -69.6 -31.1 11.5 12.5 -2.9 83 394 A R H X S+ 0 0 77 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.834 111.1 48.8 -67.3 -33.5 8.2 13.1 -1.1 84 395 A C H X S+ 0 0 0 -4,-1.5 4,-2.9 -5,-0.2 3,-0.5 0.959 110.9 47.8 -65.8 -54.3 10.0 11.9 2.0 85 396 A L H < S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.679 104.7 61.5 -65.5 -20.7 13.1 14.1 1.4 86 397 A E H < S+ 0 0 118 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.922 112.4 37.9 -64.2 -44.9 10.7 17.1 0.9 87 398 A L H < S+ 0 0 79 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.1 0.916 139.0 14.2 -71.9 -46.1 9.5 16.5 4.4 88 399 A K >< - 0 0 82 -4,-2.9 3,-1.8 1,-0.1 -1,-0.3 -0.753 65.7-177.3-133.6 85.2 12.9 15.7 5.9 89 400 A P T 3 S+ 0 0 66 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.680 83.7 57.0 -58.5 -19.9 15.7 16.6 3.5 90 401 A D T 3 + 0 0 63 30,-0.0 2,-1.1 4,-0.0 3,-0.1 0.027 68.3 132.9-100.1 25.4 18.4 15.2 5.9 91 402 A N <> - 0 0 7 -3,-1.8 4,-2.6 1,-0.2 5,-0.1 -0.665 36.8-170.7 -76.8 100.7 16.8 11.7 6.0 92 403 A Q H > S+ 0 0 71 -2,-1.1 4,-2.3 2,-0.2 5,-0.2 0.831 80.4 53.6 -68.5 -36.9 20.0 9.6 5.4 93 404 A T H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.976 112.5 44.5 -58.8 -56.0 18.2 6.3 5.0 94 405 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 111.6 54.4 -52.6 -50.0 16.0 7.8 2.3 95 406 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.898 108.8 46.6 -54.7 -48.1 19.0 9.5 0.6 96 407 A M H X S+ 0 0 26 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.899 113.6 49.3 -62.7 -41.6 21.0 6.3 0.3 97 408 A A H X S+ 0 0 22 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.880 110.9 49.3 -64.6 -40.8 18.0 4.4 -1.1 98 409 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.879 111.8 50.5 -63.4 -38.5 17.4 7.3 -3.6 99 410 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.914 110.8 47.8 -62.6 -46.0 21.1 7.0 -4.4 100 411 A V H X S+ 0 0 40 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.762 112.1 51.1 -66.3 -26.7 20.8 3.2 -4.9 101 412 A S H X S+ 0 0 1 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.862 107.5 50.3 -82.8 -38.9 17.7 3.7 -7.1 102 413 A F H ><>S+ 0 0 2 -4,-2.1 5,-2.6 1,-0.2 3,-0.8 0.916 108.8 54.1 -59.4 -44.0 19.3 6.3 -9.4 103 414 A T H ><5S+ 0 0 17 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.867 103.2 55.7 -61.0 -37.2 22.2 3.9 -9.9 104 415 A N H 3<5S+ 0 0 57 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.772 109.9 46.9 -64.5 -27.2 19.9 1.1 -10.9 105 416 A E T <<5S- 0 0 40 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.167 116.0-116.3 -98.2 15.5 18.5 3.5 -13.6 106 417 A S T < 5 + 0 0 31 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.858 66.4 146.6 47.4 41.3 22.0 4.4 -14.8 107 418 A L >< + 0 0 64 -5,-2.6 4,-2.6 1,-0.2 -1,-0.2 -0.713 15.1 166.5-101.9 77.2 21.3 8.0 -13.7 108 419 A Q H > + 0 0 93 -2,-1.0 4,-3.1 2,-0.2 5,-0.3 0.928 68.1 55.3 -62.8 -50.6 24.9 8.7 -12.6 109 420 A R H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 115.8 39.3 -47.7 -52.4 24.7 12.5 -12.4 110 421 A Q H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 113.4 56.2 -66.3 -41.1 21.8 12.1 -9.9 111 422 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.909 110.9 43.0 -57.6 -47.2 23.3 9.1 -8.2 112 423 A C H X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.866 110.4 56.9 -67.0 -39.0 26.5 11.1 -7.4 113 424 A E H X S+ 0 0 61 -4,-1.9 4,-1.3 -5,-0.3 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> + 0 0 41 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.796 360.0 53.7 -73.0 -30.2 -6.8 1.6 -32.6 306 355 B V H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.947 103.6 52.8 -69.5 -51.1 -9.1 0.3 -29.9 307 356 B L H > S+ 0 0 123 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.789 108.1 52.7 -58.0 -31.5 -11.1 3.5 -29.2 308 357 B L H X S+ 0 0 130 -4,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.906 110.2 44.7 -73.8 -44.4 -11.9 3.9 -32.9 309 358 B F H X S+ 0 0 65 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.850 108.6 59.0 -67.9 -34.4 -13.4 0.5 -33.4 310 359 B E H X S+ 0 0 68 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.819 103.6 52.7 -60.6 -32.7 -15.3 0.8 -30.1 311 360 B A H X S+ 0 0 47 -4,-0.9 4,-2.0 -3,-0.2 -1,-0.2 0.860 109.8 48.0 -69.6 -37.1 -17.0 3.9 -31.6 312 361 B A H X S+ 0 0 27 -4,-1.2 4,-1.3 1,-0.2 7,-0.2 0.842 110.3 50.7 -72.3 -35.8 -18.0 1.9 -34.7 313 362 B V H < S+ 0 0 10 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.754 112.6 47.2 -74.8 -25.1 -19.5 -1.0 -32.6 314 363 B Q H < S+ 0 0 152 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.909 118.0 38.9 -79.8 -47.1 -21.5 1.4 -30.5 315 364 B Q H < S+ 0 0 167 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.680 136.1 23.5 -75.3 -19.3 -23.0 3.4 -33.4 316 365 B D >< + 0 0 58 -4,-1.3 3,-0.6 -5,-0.2 -1,-0.3 -0.556 61.2 168.0-148.6 78.1 -23.3 0.2 -35.4 317 366 B P T 3 S+ 0 0 65 0, 0.0 6,-0.1 0, 0.0 -4,-0.1 0.690 79.9 66.7 -60.5 -21.3 -23.5 -3.0 -33.3 318 367 B K T 3 S+ 0 0 174 -3,-0.1 2,-0.2 31,-0.1 -5,-0.1 0.919 72.6 102.8 -62.9 -45.7 -24.6 -4.8 -36.5 319 368 B H <> + 0 0 88 -3,-0.6 4,-1.0 -7,-0.2 3,-0.4 -0.172 47.9 179.4 -48.0 100.4 -21.1 -4.3 -38.0 320 369 B M H > S+ 0 0 38 -2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.855 77.6 58.6 -74.1 -37.5 -19.6 -7.8 -37.5 321 370 B E H > S+ 0 0 115 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.566 100.8 59.4 -72.8 -8.9 -16.3 -6.8 -39.2 322 371 B A H > S+ 0 0 5 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.914 105.4 45.4 -78.9 -51.6 -15.9 -4.1 -36.5 323 372 B W H X S+ 0 0 28 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.848 108.3 61.6 -58.0 -38.2 -16.0 -6.5 -33.6 324 373 B Q H >X S+ 0 0 13 -4,-1.7 4,-1.7 1,-0.2 3,-0.6 0.972 112.3 32.7 -50.9 -64.6 -13.5 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115.7 -1.0 -17.1 -42.4 456 522 B Y H > S+ 0 0 52 -2,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.818 89.5 60.7 -66.2 -32.3 1.7 -15.7 -40.2 457 523 B L H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 104.4 48.9 -61.9 -41.2 -0.2 -16.6 -37.0 458 524 B L H > S+ 0 0 3 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.847 109.4 53.5 -65.2 -36.0 -0.0 -20.3 -37.9 459 525 B W H X S+ 0 0 49 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.831 109.9 47.0 -69.3 -33.9 3.7 -19.9 -38.6 460 526 B N H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.903 111.9 50.3 -69.7 -43.9 4.3 -18.4 -35.1 461 527 B K H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.837 110.2 49.7 -66.0 -35.8 2.2 -21.1 -33.4 462 528 B L H X S+ 0 0 15 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.907 109.3 52.7 -66.6 -43.8 4.1 -23.9 -35.3 463 529 B G H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.900 111.1 46.9 -55.6 -43.9 7.4 -22.2 -34.2 464 530 B A H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.932 114.0 47.1 -63.6 -47.3 6.2 -22.3 -30.6 465 531 B T H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.900 114.5 46.1 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4,-0.0 -1,-0.1 0.870 103.0 -18.9 -80.0-100.6 2.9 -6.2 -20.9 533 599 B M H >> S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.869 129.0 73.1 -75.9 -38.8 5.4 -7.6 -23.3 534 600 B S H 3> S+ 0 0 9 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.876 95.1 52.0 -37.1 -56.2 8.0 -5.0 -22.4 535 601 B E H 3> S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 112.8 42.9 -50.7 -50.5 8.6 -6.7 -19.1 536 602 B N H S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.8 0.881 107.5 54.4 -66.6 -39.4 23.2 -10.5 -21.8 546 612 B S H <5S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 111.1 44.8 -58.9 -46.5 24.2 -12.5 -18.6 547 613 B M H <5S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 112.2 51.9 -69.7 -29.9 24.9 -15.6 -20.6 548 614 B L H <5S- 0 0 54 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.805 103.5-138.5 -74.2 -31.7 26.7 -13.6 -23.3 549 615 B G T <5 + 0 0 24 -4,-2.0 2,-1.9 1,-0.2 -3,-0.2 0.418 46.7 153.0 90.4 2.1 28.8 -12.1 -20.4 550 616 B Q > < + 0 0 40 -5,-0.8 3,-1.7 1,-0.2 4,-0.3 -0.409 18.0 179.9 -72.0 83.2 28.8 -8.5 -21.8 551 617 B S G >> S+ 0 0 28 -2,-1.9 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4,-1.6 -6,-0.2 -1,-0.2 -0.587 5.8 174.6 -73.1 91.3 18.1 2.3 -21.8 562 628 B L H > S+ 0 0 11 -2,-1.6 4,-2.6 1,-0.2 5,-0.2 0.899 71.9 57.9 -67.7 -43.3 17.1 1.0 -25.2 563 629 B S H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 109.5 44.6 -53.5 -46.5 18.9 3.8 -27.2 564 630 B T H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.866 112.1 51.4 -70.2 -38.6 22.3 2.9 -25.6 565 631 B L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 6,-0.2 0.938 108.5 50.6 -63.6 -48.6 21.9 -0.9 -26.0 566 632 B L H <>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.2 -1,-0.2 0.872 113.2 47.0 -56.0 -40.4 21.0 -0.6 -29.7 567 633 B T H ><5S+ 0 0 90 -4,-1.6 3,-1.5 -5,-0.2 -2,-0.2 0.924 110.6 52.2 -65.2 -46.2 24.1 1.6 -30.2 568 634 B M H 3<5S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.780 114.0 42.9 -61.2 -31.4 26.2 -0.9 -28.2 569 635 B F T 3<5S- 0 0 10 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.176 114.3-115.2-103.6 15.5 25.0 -3.8 -30.4 570 636 B G T < 5 + 0 0 66 -3,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.571 65.8 143.9 68.2 12.7 25.4 -1.8 -33.7 571 637 B L < - 0 0 22 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