==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 14-JAN-05 1YJE . COMPND 2 MOLECULE: ORPHAN NUCLEAR RECEPTOR NR4A1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR R.FLAIG,H.GRESCHIK,C.PELUSO-ILTIS,D.MORAS,STRUCTURAL . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.7 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 . 1 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 . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 56.2 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+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 0 0 0 2 0 0 1 0 0 0 0 0 2 0 2 0 0 0 0 0 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 362 A N > 0 0 148 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 161.1 24.3 59.3 4.1 2 363 A L H > + 0 0 38 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.912 360.0 50.4 -64.9 -49.4 22.6 56.6 6.3 3 364 A L H >> S+ 0 0 34 1,-0.2 3,-3.0 2,-0.2 4,-2.1 0.975 109.0 52.0 -47.8 -67.5 25.5 54.2 6.5 4 365 A T H 3> S+ 0 0 86 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.788 108.8 50.4 -38.8 -46.1 28.0 56.9 7.6 5 366 A S H 3X S+ 0 0 57 -4,-1.7 4,-1.1 2,-0.2 -1,-0.3 0.715 111.9 49.0 -70.7 -19.4 25.7 58.0 10.4 6 367 A L H X S+ 0 0 23 -4,-1.5 3,-0.9 -3,-0.3 4,-0.7 0.965 112.2 48.3 -72.3 -59.1 28.5 52.8 16.7 11 372 A L H 3< S+ 0 0 102 -4,-2.7 3,-0.5 1,-0.3 -2,-0.2 0.807 111.8 50.6 -52.2 -36.6 32.1 54.1 17.0 12 373 A D H 3< S+ 0 0 114 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.766 108.9 51.9 -71.7 -25.8 30.9 56.9 19.4 13 374 A S H << S+ 0 0 10 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.511 96.1 93.6 -88.4 -7.8 29.0 54.3 21.6 14 375 A G S < S- 0 0 28 -4,-0.7 89,-0.1 -3,-0.5 90,-0.0 -0.474 84.3 -99.9 -86.9 156.7 32.0 52.1 21.9 15 376 A P - 0 0 27 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.338 41.0-105.7 -64.4 153.1 34.7 52.0 24.6 16 377 A N > - 0 0 109 3,-0.5 3,-1.8 1,-0.1 -4,-0.0 -0.796 27.0-157.0 -82.6 108.4 38.0 53.8 23.8 17 378 A T G > S+ 0 0 111 -2,-0.9 3,-0.8 1,-0.3 -1,-0.1 0.720 93.3 62.4 -62.0 -26.0 40.4 50.9 23.2 18 379 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.748 114.7 38.2 -62.8 -29.4 43.3 53.2 24.1 19 380 A K G < S+ 0 0 58 -3,-1.8 -3,-0.5 2,-0.1 -1,-0.3 -0.644 74.0 157.5-126.1 72.3 41.6 53.3 27.4 20 381 A L < - 0 0 24 -3,-0.8 2,-0.6 -2,-0.2 86,-0.2 -0.539 47.9-118.8 -70.1 159.4 40.2 49.9 28.1 21 382 A D B +a 106 0A 59 84,-3.0 86,-2.1 -2,-0.2 3,-0.3 -0.930 39.4 170.4-119.1 113.6 39.9 49.8 31.8 22 383 A Y + 0 0 109 -2,-0.6 3,-0.3 84,-0.2 -1,-0.1 0.260 44.6 111.1-103.6 12.4 41.9 47.3 33.7 23 384 A S S S+ 0 0 94 1,-0.3 -1,-0.2 3,-0.0 83,-0.0 0.697 92.5 27.0 -63.4 -21.4 41.3 48.5 37.3 24 385 A K S S+ 0 0 120 -3,-0.3 -1,-0.3 83,-0.3 -2,-0.1 0.502 95.6 119.2-114.5 -11.8 39.1 45.5 38.2 25 386 A F + 0 0 42 -3,-0.3 2,-0.3 -4,-0.1 83,-0.1 -0.231 33.7 172.9 -62.6 138.9 40.6 43.0 35.8 26 387 A Q - 0 0 111 2,-0.0 2,-1.4 81,-0.0 83,-0.2 -0.906 31.5-136.0-148.4 126.7 42.3 39.8 37.2 27 388 A E - 0 0 118 -2,-0.3 2,-0.2 84,-0.1 71,-0.0 -0.644 34.6-170.0 -79.1 92.3 43.7 36.8 35.2 28 389 A L - 0 0 33 -2,-1.4 83,-0.2 1,-0.1 84,-0.1 -0.552 20.2-166.8 -84.3 147.5 42.4 34.0 37.4 29 390 A V S S+ 0 0 130 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.800 70.6 49.2-100.5 -42.8 43.4 30.4 37.0 30 391 A L S S- 0 0 135 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.819 93.2 -97.2-107.0 139.4 40.9 28.4 39.1 31 392 A P - 0 0 89 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.129 36.5-111.7 -43.0 138.5 37.1 28.8 39.0 32 393 A R - 0 0 97 79,-0.4 2,-0.1 -4,-0.0 -4,-0.0 -0.755 47.1-151.3 -67.9 113.4 35.5 31.0 41.6 33 394 A F + 0 0 174 -2,-0.7 2,-0.2 -3,-0.1 82,-0.0 -0.419 43.9 32.6 -89.4 165.7 33.7 28.3 43.6 34 395 A G S S- 0 0 70 -2,-0.1 2,-0.3 2,-0.1 -2,-0.0 -0.480 96.0 -38.9 97.6-165.0 30.5 28.4 45.7 35 396 A K - 0 0 77 -2,-0.2 2,-0.3 1,-0.0 80,-0.1 -0.680 67.8-101.6 -93.7 158.9 27.3 30.4 45.4 36 397 A E - 0 0 27 -2,-0.3 2,-0.1 79,-0.2 -2,-0.1 -0.627 35.5-147.1 -85.5 142.0 27.4 34.1 44.3 37 398 A D > - 0 0 77 -2,-0.3 4,-1.7 1,-0.0 3,-0.2 -0.236 36.0 -84.3 -97.2-174.4 27.1 36.8 46.9 38 399 A A H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.796 125.3 57.9 -64.5 -31.3 25.6 40.3 46.8 39 400 A G H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 105.7 49.0 -65.1 -45.1 28.8 41.8 45.4 40 401 A D H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.922 114.5 45.2 -55.5 -49.3 28.7 39.4 42.3 41 402 A V H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.909 111.0 52.4 -66.3 -39.6 25.1 40.3 41.7 42 403 A Q H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.847 110.1 49.0 -67.6 -34.7 25.6 44.0 42.2 43 404 A Q H X S+ 0 0 49 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.971 110.9 48.9 -64.7 -58.5 28.4 44.1 39.6 44 405 A F H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.894 114.1 48.3 -44.8 -48.1 26.4 42.1 37.1 45 406 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.880 110.2 49.4 -64.8 -42.2 23.5 44.6 37.7 46 407 A D H X S+ 0 0 91 -4,-2.2 4,-4.0 2,-0.2 -1,-0.2 0.868 109.3 53.1 -63.0 -39.9 25.7 47.7 37.3 47 408 A L H X S+ 0 0 16 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.907 111.8 46.4 -62.6 -45.2 27.2 46.4 34.1 48 409 A L H X S+ 0 0 3 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.946 115.3 44.8 -55.5 -53.8 23.7 45.9 32.8 49 410 A S H X S+ 0 0 39 -4,-2.7 4,-1.2 1,-0.2 3,-0.4 0.924 110.1 56.1 -66.2 -42.6 22.7 49.4 34.0 50 411 A G H X S+ 0 0 32 -4,-4.0 4,-1.2 1,-0.2 3,-0.3 0.883 106.3 50.3 -50.8 -42.9 25.8 51.0 32.6 51 412 A S H X S+ 0 0 5 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.785 99.9 62.4 -74.5 -29.3 25.2 49.6 29.1 52 413 A L H X S+ 0 0 12 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.2 0.882 102.3 52.7 -62.0 -38.8 21.6 50.8 28.9 53 414 A D H X S+ 0 0 89 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.931 114.7 41.1 -58.4 -50.3 22.9 54.4 29.2 54 415 A V H X S+ 0 0 36 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.881 110.9 54.2 -68.4 -47.3 25.4 53.8 26.3 55 416 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.842 111.5 49.5 -55.0 -36.0 23.0 51.9 24.1 56 417 A R H X S+ 0 0 99 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.929 108.3 49.1 -70.1 -49.3 20.6 54.9 24.5 57 418 A K H X S+ 0 0 56 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.690 115.4 47.9 -60.7 -19.8 23.3 57.4 23.6 58 419 A W H < S+ 0 0 2 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.852 110.5 50.6 -83.5 -43.2 23.9 55.1 20.6 59 420 A A H >< S+ 0 0 0 -4,-2.6 3,-2.7 1,-0.2 6,-0.2 0.972 104.2 57.1 -53.9 -59.9 20.2 54.9 19.8 60 421 A E H 3< S+ 0 0 77 -4,-2.9 6,-0.7 1,-0.3 5,-0.5 0.816 103.0 57.4 -37.1 -45.3 19.7 58.7 19.8 61 422 A K T 3< S+ 0 0 121 -4,-0.5 -1,-0.3 -5,-0.2 -52,-0.2 0.243 78.3 105.2 -84.8 7.2 22.4 59.0 17.1 62 423 A I S X> S- 0 0 3 -3,-2.7 3,-2.0 -53,-0.1 4,-0.5 -0.795 92.0 -93.7 -86.7 129.1 20.7 56.8 14.5 63 424 A P T 34 S+ 0 0 45 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.208 107.7 0.1 -50.4 101.0 19.3 58.9 11.7 64 425 A G T 34 S+ 0 0 7 -2,-0.3 101,-0.1 -4,-0.2 -3,-0.1 0.784 93.8 110.7 89.9 29.5 15.7 59.5 12.8 65 426 A F T X4 S+ 0 0 1 -3,-2.0 3,-0.9 -5,-0.5 -5,-0.1 0.762 85.6 48.3 -91.4 -40.6 15.4 57.6 16.1 66 427 A I T 3< S+ 0 0 109 -6,-0.7 7,-0.1 -4,-0.5 -6,-0.1 0.880 103.5 65.1 -56.2 -40.5 15.1 60.9 17.9 67 428 A E T 3 S+ 0 0 168 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.682 89.8 86.6 -58.1 -21.7 12.4 61.8 15.3 68 429 A L S < S- 0 0 26 -3,-0.9 -3,-0.1 1,-0.1 -4,-0.0 -0.180 93.5 -79.0 -77.8 173.0 10.2 59.0 16.6 69 430 A S > - 0 0 45 1,-0.1 4,-2.4 89,-0.1 3,-0.2 -0.407 34.1-122.0 -71.3 146.1 7.6 59.1 19.4 70 431 A P H > S+ 0 0 105 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.774 110.5 60.5 -59.5 -27.6 8.8 59.0 23.1 71 432 A G H > S+ 0 0 53 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.961 113.3 33.5 -62.5 -54.1 6.6 55.9 23.6 72 433 A D H > S+ 0 0 11 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.794 108.8 69.3 -70.9 -33.5 8.4 53.8 21.0 73 434 A Q H X S+ 0 0 40 -4,-2.4 4,-0.5 1,-0.3 -1,-0.2 0.859 110.2 33.1 -54.5 -43.4 11.8 55.4 21.6 74 435 A D H X S+ 0 0 40 -4,-1.3 4,-2.1 -3,-0.2 -1,-0.3 0.630 118.1 57.3 -86.7 -17.9 12.0 53.7 25.0 75 436 A L H X S+ 0 0 40 -4,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.850 104.7 47.3 -82.6 -38.8 10.1 50.6 23.8 76 437 A L H X S+ 0 0 2 -4,-3.3 4,-1.1 2,-0.1 -1,-0.2 0.838 117.3 49.8 -63.3 -31.6 12.5 49.8 20.9 77 438 A L H X S+ 0 0 4 -4,-0.5 4,-2.3 -5,-0.4 -2,-0.2 0.938 110.7 41.3 -74.7 -55.2 15.2 50.2 23.5 78 439 A E H < S+ 0 0 39 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.791 118.8 49.9 -67.1 -27.5 14.1 48.1 26.5 79 440 A S H < S+ 0 0 31 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.790 117.2 38.8 -82.0 -28.1 13.0 45.5 24.0 80 441 A A H >X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.1 3,-0.5 0.737 94.1 95.5 -90.4 -18.7 16.3 45.5 22.2 81 442 A F H 3X S+ 0 0 3 -4,-2.3 4,-3.2 1,-0.2 5,-0.1 0.744 83.1 40.7 -41.2 -61.7 18.4 45.9 25.3 82 443 A L H 3> S+ 0 0 10 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.870 117.2 49.9 -65.9 -40.1 19.5 42.4 26.3 83 444 A E H <> S+ 0 0 12 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.852 114.2 45.5 -61.6 -42.2 20.1 41.4 22.7 84 445 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.910 110.8 54.2 -66.5 -42.5 22.2 44.6 22.2 85 446 A F H X S+ 0 0 6 -4,-3.2 4,-1.8 -5,-0.2 -2,-0.2 0.911 115.2 39.1 -56.3 -46.9 24.0 44.0 25.4 86 447 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.845 117.5 46.8 -76.1 -43.4 25.0 40.5 24.4 87 448 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.940 115.3 44.9 -66.9 -50.3 25.8 41.1 20.8 88 449 A R H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.934 116.8 48.2 -56.7 -43.8 27.9 44.3 21.4 89 450 A L H X S+ 0 0 1 -4,-1.8 4,-1.0 -5,-0.4 12,-0.5 0.867 112.8 46.7 -64.4 -40.5 29.7 42.4 24.3 90 451 A A H < S+ 0 0 0 -4,-2.0 3,-0.4 2,-0.2 -1,-0.2 0.920 112.8 51.2 -69.3 -44.8 30.3 39.3 22.1 91 452 A Y H < S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.926 116.8 37.1 -55.2 -50.3 31.6 41.5 19.3 92 453 A R H < S+ 0 0 49 -4,-2.5 -1,-0.2 9,-0.2 -2,-0.2 0.526 99.0 96.8 -89.2 -2.0 34.0 43.5 21.4 93 454 A S < - 0 0 4 -4,-1.0 7,-0.2 -3,-0.4 -3,-0.0 -0.134 67.7-131.8 -81.0 177.4 35.2 40.7 23.7 94 455 A K B >>> +B 99 0B 76 5,-3.0 5,-2.3 1,-0.1 4,-0.9 -0.769 21.1 178.8-135.1 83.6 38.4 38.5 23.4 95 456 A P T 345S+ 0 0 12 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.780 78.3 61.7 -59.6 -33.8 37.5 34.8 23.8 96 457 A G T 345S+ 0 0 81 1,-0.2 -2,-0.0 2,-0.1 33,-0.0 0.869 114.0 36.3 -58.9 -36.2 41.1 33.5 23.2 97 458 A E T <45S- 0 0 93 -3,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.567 111.9-117.9 -93.4 -12.8 42.3 35.5 26.3 98 459 A G T <5 + 0 0 0 -4,-0.9 12,-2.8 -3,-0.3 2,-0.5 0.743 63.9 149.8 75.6 27.7 39.1 34.9 28.3 99 460 A K E < -BC 94 109B 23 -5,-2.3 -5,-3.0 10,-0.2 2,-0.6 -0.831 36.0-160.9-104.3 125.3 38.4 38.7 28.4 100 461 A L E - C 0 108B 0 8,-3.6 8,-2.5 -2,-0.5 2,-0.6 -0.863 10.9-161.2 -95.1 124.4 35.0 40.2 28.5 101 462 A I E - C 0 107B 7 -2,-0.6 6,-0.2 -12,-0.5 -9,-0.2 -0.956 7.6-157.8-114.9 124.9 35.0 43.8 27.4 102 463 A F > - 0 0 2 4,-2.8 3,-2.0 -2,-0.6 -55,-0.0 -0.378 33.3 -96.8-100.7 167.2 32.1 45.9 28.4 103 464 A C T 3 S+ 0 0 10 1,-0.3 -1,-0.0 -56,-0.2 -56,-0.0 0.701 121.5 54.8 -63.3 -24.8 30.7 49.1 26.9 104 465 A S T 3 S- 0 0 78 -89,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.114 124.3-101.0 -87.8 15.8 32.6 51.4 29.4 105 466 A G S < S+ 0 0 0 -3,-2.0 -84,-3.0 1,-0.2 -2,-0.2 0.331 72.6 153.0 75.6 -7.8 35.9 49.8 28.4 106 467 A L B -a 21 0A 5 -86,-0.2 -4,-2.8 -5,-0.1 2,-0.5 -0.301 31.5-152.8 -56.4 132.2 35.8 47.6 31.6 107 468 A V E +C 101 0B 0 -86,-2.1 2,-0.4 -6,-0.2 -83,-0.3 -0.934 17.7 174.6-112.6 126.8 37.8 44.4 31.1 108 469 A L E -C 100 0B 0 -8,-2.5 -8,-3.6 -2,-0.5 2,-0.3 -0.982 30.8-116.2-133.2 144.6 36.9 41.3 33.1 109 470 A H E >> -C 99 0B 6 -2,-0.4 4,-1.5 -83,-0.2 3,-1.3 -0.578 27.1-119.4 -72.8 141.6 38.1 37.8 33.1 110 471 A R H >> S+ 0 0 64 -12,-2.8 4,-1.2 1,-0.3 3,-0.8 0.912 117.4 53.8 -40.4 -51.7 35.6 35.1 32.1 111 472 A L H 34 S+ 0 0 29 1,-0.2 -79,-0.4 2,-0.2 4,-0.3 0.690 104.3 53.7 -61.8 -25.0 36.3 33.6 35.7 112 473 A Q H <4 S+ 0 0 13 -3,-1.3 4,-0.4 -86,-0.2 -1,-0.2 0.747 112.8 44.5 -76.4 -27.7 35.5 36.9 37.4 113 474 A C H < - 0 0 15 -4,-1.5 3,-0.9 -5,-0.5 4,-0.2 -0.639 56.8 -35.4 93.8-155.7 26.5 31.9 35.4 119 480 A D T >> S+ 0 0 109 1,-0.2 3,-1.3 -2,-0.2 4,-1.2 0.655 123.5 85.6 -80.0 -17.1 27.4 29.4 32.6 120 481 A W H 3> S+ 0 0 8 -3,-0.5 4,-2.4 1,-0.2 3,-0.4 0.847 80.0 63.5 -40.2 -43.3 25.7 31.8 30.2 121 482 A I H <> S+ 0 0 0 -3,-0.9 4,-1.8 1,-0.3 -1,-0.2 0.826 98.8 53.4 -59.2 -36.1 29.0 33.7 30.1 122 483 A D H <> S+ 0 0 69 -3,-1.3 4,-1.9 -4,-0.2 -1,-0.3 0.849 109.6 46.9 -69.8 -39.1 30.6 30.6 28.5 123 484 A N H X S+ 0 0 52 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.829 108.1 56.8 -66.6 -39.2 27.9 30.5 25.7 124 485 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.888 109.8 45.1 -56.6 -41.8 28.4 34.3 25.2 125 486 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.892 109.5 54.1 -70.8 -45.0 32.1 33.7 24.5 126 487 A A H X S+ 0 0 42 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.926 111.7 46.4 -47.3 -46.7 31.3 30.7 22.3 127 488 A F H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.894 108.2 57.9 -70.0 -37.5 29.1 33.2 20.4 128 489 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.945 109.3 41.6 -52.6 -53.5 31.9 35.8 20.4 129 490 A R H X S+ 0 0 118 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.842 110.2 59.3 -70.0 -27.6 34.3 33.5 18.6 130 491 A S H X S+ 0 0 21 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.928 108.8 44.7 -57.1 -49.7 31.5 32.4 16.3 131 492 A L H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.890 114.6 50.8 -55.0 -43.4 31.1 36.1 15.3 132 493 A H H < S+ 0 0 76 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.817 103.4 55.8 -74.1 -37.7 34.9 36.4 15.0 133 494 A S H < S+ 0 0 105 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.983 111.8 45.1 -46.6 -61.8 35.4 33.3 12.7 134 495 A L H < S- 0 0 58 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.809 106.8-135.8 -52.8 -37.5 32.9 34.8 10.2 135 496 A G < - 0 0 45 -4,-1.3 2,-0.3 1,-0.1 -3,-0.1 0.444 16.4-157.3 72.4 131.3 34.5 38.3 10.4 136 497 A V - 0 0 16 -4,-0.1 -1,-0.1 -45,-0.1 5,-0.0 -0.876 11.8-142.6-142.1 103.0 32.0 41.1 10.7 137 498 A D > - 0 0 60 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.217 29.0-102.0 -65.1 162.7 33.4 44.4 9.5 138 499 A V H > S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.892 120.5 49.8 -55.0 -53.3 32.4 47.6 11.4 139 500 A P H > S+ 0 0 34 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.850 111.5 50.4 -52.1 -40.5 29.8 48.8 8.8 140 501 A A H > S+ 0 0 1 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.916 116.5 41.7 -61.3 -46.0 28.1 45.3 8.8 141 502 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.843 109.9 56.4 -69.1 -38.4 28.0 45.4 12.6 142 503 A A H X S+ 0 0 0 -4,-3.1 4,-0.6 -5,-0.2 -1,-0.2 0.811 115.7 38.5 -68.2 -30.4 26.9 49.0 12.8 143 504 A C H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 3,-0.3 0.901 113.7 54.9 -77.5 -47.6 23.9 48.1 10.5 144 505 A L H X S+ 0 0 3 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.904 109.4 48.4 -51.7 -48.1 23.2 44.6 12.2 145 506 A S H >X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 3,-0.6 0.849 108.9 51.0 -63.7 -36.8 23.0 46.3 15.6 146 507 A A H 3X S+ 0 0 0 -4,-0.6 4,-3.7 -3,-0.3 -1,-0.2 0.840 106.9 56.3 -69.9 -32.8 20.5 49.1 14.5 147 508 A L H 3< S+ 0 0 32 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.661 102.1 55.6 -64.1 -20.8 18.3 46.3 12.9 148 509 A V H << S+ 0 0 8 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.746 117.4 37.1 -83.1 -26.1 18.2 44.6 16.4 149 510 A L H < S+ 0 0 0 -4,-0.9 2,-1.3 1,-0.2 -2,-0.2 0.932 112.0 55.0 -86.9 -56.5 16.9 47.9 17.7 150 511 A I S < S+ 0 0 0 -4,-3.7 2,-0.3 -5,-0.1 -1,-0.2 -0.685 82.1 116.7 -88.9 92.8 14.7 49.2 14.9 151 512 A T S S- 0 0 40 -2,-1.3 12,-0.1 -3,-0.2 11,-0.0 -0.974 76.1 -74.2-158.6 147.5 12.3 46.2 14.4 152 513 A D - 0 0 77 -2,-0.3 2,-0.5 1,-0.1 -2,-0.0 -0.291 48.4-170.4 -57.9 126.5 8.6 45.7 14.9 153 514 A R - 0 0 52 -2,-0.0 3,-0.2 0, 0.0 -1,-0.1 -0.954 32.6-108.2-127.0 109.2 7.7 45.6 18.6 154 515 A H S S+ 0 0 209 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.077 107.3 30.3 -38.5 106.0 4.2 44.5 19.7 155 516 A G S S+ 0 0 69 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.754 79.8 151.9 107.2 39.0 2.7 47.8 20.9 156 517 A L - 0 0 18 -3,-0.2 -1,-0.2 1,-0.1 -4,-0.0 -0.856 44.6-134.3-103.6 133.5 4.3 50.5 18.8 157 518 A Q S S+ 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.936 96.6 5.0 -44.1 -76.5 2.6 53.9 18.0 158 519 A D >> + 0 0 51 1,-0.1 4,-1.3 2,-0.0 3,-1.0 -0.840 64.9 177.5-114.4 91.3 3.4 54.1 14.2 159 520 A P H 3> S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.491 79.3 73.0 -67.4 -3.8 5.1 50.9 13.2 160 521 A R H 3> S+ 0 0 54 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.893 96.9 46.2 -73.4 -43.5 5.1 52.4 9.7 161 522 A R H <> S+ 0 0 40 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.961 117.8 42.7 -60.4 -55.5 7.8 54.8 10.8 162 523 A V H X S+ 0 0 2 -4,-1.3 4,-3.5 2,-0.2 -2,-0.2 0.935 115.2 49.1 -53.3 -56.2 9.9 52.0 12.4 163 524 A E H X S+ 0 0 115 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.835 113.8 49.0 -51.8 -37.5 9.2 49.6 9.5 164 525 A E H X S+ 0 0 150 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.947 113.6 42.3 -73.1 -52.0 10.3 52.5 7.2 165 526 A L H X S+ 0 0 28 -4,-3.0 4,-1.9 1,-0.2 3,-0.3 0.939 112.3 59.3 -57.5 -46.1 13.5 53.3 9.0 166 527 A Q H X S+ 0 0 49 -4,-3.5 4,-2.5 -5,-0.2 -2,-0.2 0.890 103.1 49.2 -42.5 -53.7 14.1 49.6 9.3 167 528 A N H X S+ 0 0 78 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.836 106.5 55.0 -69.4 -31.9 14.1 49.0 5.6 168 529 A R H X S+ 0 0 42 -4,-1.5 4,-2.4 -3,-0.3 3,-0.5 0.979 111.6 44.5 -58.6 -56.4 16.6 51.8 4.8 169 530 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.905 110.7 56.4 -51.1 -46.3 19.1 50.2 7.3 170 531 A A H X S+ 0 0 35 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.842 109.1 45.1 -57.7 -37.3 18.3 46.8 5.8 171 532 A S H X S+ 0 0 50 -4,-2.0 4,-3.2 -3,-0.5 -1,-0.2 0.826 107.6 57.2 -81.3 -31.8 19.3 48.1 2.3 172 533 A C H X S+ 0 0 17 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.940 112.4 43.2 -48.4 -52.1 22.4 49.8 3.6 173 534 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.957 114.8 47.9 -64.7 -52.7 23.5 46.4 4.9 174 535 A K H X S+ 0 0 127 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.922 118.2 42.6 -50.7 -48.0 22.4 44.6 1.8 175 536 A E H >X S+ 0 0 137 -4,-3.2 4,-2.7 1,-0.2 3,-1.0 0.941 113.7 49.2 -66.2 -51.0 24.2 47.1 -0.4 176 537 A H H 3X S+ 0 0 26 -4,-3.4 4,-0.6 1,-0.3 -1,-0.2 0.815 112.5 48.5 -59.6 -35.3 27.4 47.4 1.7 177 538 A M H 3< S+ 0 0 28 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.547 109.7 51.6 -88.8 -10.0 27.8 43.7 1.9 178 539 A A H << S+ 0 0 69 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.792 106.0 54.8 -85.5 -40.0 27.3 43.4 -1.9 179 540 A A H < 0 0 89 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.745 360.0 360.0 -57.8 -26.2 30.0 46.0 -2.2 180 541 A V < 0 0 119 -4,-0.6 -3,-0.2 -5,-0.2 -2,-0.1 0.424 360.0 360.0-112.1 360.0 32.1 43.6 -0.1 181 ! 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 0.0 182 549 A S > 0 0 107 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.0 25.6 34.7 0.5 183 550 A C H >> + 0 0 57 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.942 360.0 48.6 -52.8 -55.0 27.8 36.9 2.8 184 551 A L H 3> S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.858 109.7 52.4 -55.9 -39.7 24.8 38.7 4.3 185 552 A S H 3> S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.751 105.2 53.8 -76.9 -23.2 23.0 35.5 4.9 186 553 A R H << S+ 0 0 145 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.873 112.0 46.2 -70.4 -42.5 25.9 33.9 6.8 187 554 A L H >< S+ 0 0 2 -4,-1.9 3,-1.9 1,-0.2 4,-0.3 0.932 112.5 49.0 -62.2 -49.8 25.9 37.0 9.1 188 555 A L H >< S+ 0 0 71 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.822 99.5 69.3 -59.0 -30.3 22.1 36.8 9.4 189 556 A G T 3< S+ 0 0 40 -4,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.439 89.4 65.3 -67.2 1.6 22.7 33.1 10.2 190 557 A K T <> S+ 0 0 40 -3,-1.9 4,-1.8 1,-0.1 -1,-0.2 0.652 81.5 76.5 -92.7 -20.3 24.2 34.3 13.6 191 558 A L H <> S+ 0 0 48 -3,-1.4 4,-1.6 -4,-0.3 -2,-0.1 0.653 85.8 59.4 -69.5 -25.6 21.0 35.8 15.0 192 559 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.921 108.2 47.4 -65.8 -45.3 19.4 32.4 16.0 193 560 A E H > S+ 0 0 72 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.920 110.5 52.3 -50.4 -49.1 22.5 31.8 18.2 194 561 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.895 106.9 53.6 -59.0 -36.8 22.0 35.3 19.5 195 562 A R H X S+ 0 0 121 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.908 105.0 51.9 -65.8 -46.7 18.4 34.5 20.3 196 563 A T H X S+ 0 0 85 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.846 107.9 56.4 -51.0 -41.9 19.3 31.3 22.4 197 564 A L H X S+ 0 0 8 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.885 104.4 49.7 -60.6 -43.2 21.7 33.7 24.3 198 565 A C H X S+ 0 0 11 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.910 108.4 53.3 -66.4 -41.4 18.9 36.1 25.3 199 566 A T H X S+ 0 0 74 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.953 109.8 47.1 -58.4 -51.9 16.7 33.3 26.6 200 567 A Q H X S+ 0 0 47 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.795 112.1 52.6 -56.6 -30.7 19.5 32.0 28.8 201 568 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.867 105.7 51.9 -74.0 -39.1 20.1 35.5 30.0 202 569 A L H X S+ 0 0 56 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.828 109.8 52.3 -64.0 -30.0 16.4 36.0 30.9 203 570 A Q H X S+ 0 0 134 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.883 110.1 45.1 -74.8 -43.8 16.6 32.8 32.9 204 571 A R H X S+ 0 0 40 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.915 113.9 50.5 -63.5 -41.8 19.7 33.9 34.9 205 572 A I H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.868 111.5 48.5 -67.1 -33.4 18.1 37.3 35.5 206 573 A F H X S+ 0 0 92 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.933 111.1 50.5 -66.8 -45.0 14.9 35.5 36.6 207 574 A C H X S+ 0 0 58 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.863 113.9 44.3 -58.8 -36.8 17.0 33.3 38.9 208 575 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.4 0.885 106.4 58.4 -78.5 -39.6 18.8 36.4 40.4 209 576 A K H < S+ 0 0 66 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.882 109.9 48.3 -51.9 -35.6 15.6 38.3 40.8 210 577 A L H < S+ 0 0 116 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.781 106.4 51.1 -81.9 -32.5 14.5 35.3 42.9 211 578 A E H < S- 0 0 68 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.926 89.1-166.3 -60.8 -43.2 17.6 35.0 45.2 212 579 A D < + 0 0 105 -4,-2.4 -3,-0.1 -5,-0.1 -2,-0.1 0.981 28.1 153.5 50.8 66.1 17.0 38.8 45.7 213 580 A L S S+ 0 0 78 -5,-0.4 -175,-0.1 1,-0.4 -1,-0.1 0.735 71.1 10.9 -93.4 -31.1 20.4 39.4 47.3 214 581 A V S S- 0 0 15 -6,-0.2 -1,-0.4 -173,-0.0 -2,-0.1 -0.971 95.8 -90.5-138.4 153.5 20.4 43.1 46.2 215 582 A P - 0 0 103 0, 0.0 -6,-0.0 0, 0.0 -2,-0.0 -0.480 47.6-121.6 -60.6 129.4 17.6 45.2 44.7 216 583 A P - 0 0 31 0, 0.0 -174,-0.0 0, 0.0 -175,-0.0 -0.280 22.5-108.5 -62.1 154.7 17.6 45.1 40.9 217 584 A P >> - 0 0 16 0, 0.0 3,-1.3 0, 0.0 4,-1.2 -0.571 38.4-101.4 -75.2 153.0 18.0 48.1 38.7 218 585 A P H 3> S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.725 120.5 62.0 -49.6 -28.9 14.9 49.3 36.8 219 586 A I H 3> S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.895 98.7 54.9 -67.1 -40.3 16.1 47.6 33.6 220 587 A V H <> S+ 0 0 3 -3,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.910 112.3 44.7 -54.7 -45.2 16.1 44.2 35.2 221 588 A D H X S+ 0 0 64 -4,-1.2 4,-3.6 2,-0.2 -2,-0.2 0.933 115.3 46.3 -64.9 -49.1 12.4 44.8 36.1 222 589 A K H X S+ 0 0 75 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.927 113.3 47.9 -63.0 -49.5 11.4 46.2 32.6 223 590 A I H < S+ 0 0 13 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 117.9 43.9 -56.3 -38.9 13.2 43.4 30.7 224 591 A F H >< S+ 0 0 62 -4,-1.7 3,-1.6 -5,-0.3 -2,-0.2 0.871 108.2 56.4 -76.6 -39.1 11.5 40.9 33.0 225 592 A M H 3< S+ 0 0 161 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.788 97.0 67.0 -57.6 -31.8 8.1 42.7 32.8 226 593 A D T 3< 0 0 86 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.437 360.0 360.0 -66.6 -4.4 8.3 42.3 29.0 227 594 A T < 0 0 129 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.878 360.0 360.0 -88.7 360.0 8.0 38.5 29.5