==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-MAR-12 4E9G . COMPND 2 MOLECULE: METHYL-CPG-BINDING DOMAIN PROTEIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MORERA,A.VIGOUROUX . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 63.8 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 . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2 0 0 0 1 0 2 0 1 0 1 0 0 1 0 0 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 1 438 A W 0 0 117 0, 0.0 113,-0.0 0, 0.0 110,-0.0 0.000 360.0 360.0 360.0 125.5 -10.7 -27.9 10.3 2 439 A T - 0 0 106 112,-0.0 110,-0.1 15,-0.0 109,-0.1 -0.928 360.0-141.7-123.0 98.4 -8.3 -27.0 13.1 3 440 A P - 0 0 2 0, 0.0 13,-0.1 0, 0.0 108,-0.1 -0.467 32.3-117.1 -61.5 122.1 -6.5 -23.7 12.4 4 441 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 129,-0.0 -0.174 22.3-102.3 -65.0 158.0 -3.0 -24.2 13.6 5 442 A R - 0 0 160 4,-0.1 9,-0.0 2,-0.0 0, 0.0 -0.658 44.6-161.7 -80.3 135.8 -1.3 -22.3 16.5 6 443 A S > - 0 0 10 -2,-0.3 3,-0.9 4,-0.1 123,-0.1 -0.743 34.3-114.5-118.3 165.2 1.2 -19.7 15.1 7 444 A P T 3 S+ 0 0 97 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.563 112.5 68.0 -75.5 -2.5 4.1 -17.6 16.4 8 445 A F T 3 S- 0 0 75 117,-0.1 121,-0.1 2,-0.0 120,-0.0 0.704 92.7-145.4 -85.1 -25.2 1.9 -14.5 15.9 9 446 A N < - 0 0 122 -3,-0.9 2,-0.2 1,-0.2 -4,-0.1 0.912 20.7-172.6 56.5 53.2 -0.6 -15.5 18.7 10 447 A L > - 0 0 13 1,-0.1 3,-1.6 115,-0.1 4,-0.3 -0.553 29.0-132.4 -72.5 136.4 -3.8 -14.2 17.1 11 448 A V T >> S+ 0 0 21 1,-0.3 3,-2.1 -2,-0.2 4,-1.3 0.840 105.0 72.3 -61.6 -28.3 -6.7 -14.4 19.6 12 449 A Q H 3> S+ 0 0 6 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.722 82.9 70.1 -54.3 -29.4 -8.7 -16.0 16.7 13 450 A E H <4 S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.740 107.4 35.3 -63.9 -27.0 -6.5 -19.2 17.2 14 451 A T H <4 S+ 0 0 52 -3,-2.1 3,-0.4 -4,-0.3 -2,-0.2 0.725 118.6 48.6 -96.5 -28.7 -8.3 -19.8 20.6 15 452 A L H >< S+ 0 0 8 -4,-1.3 3,-1.3 1,-0.2 7,-0.6 0.357 75.5 104.9 -97.4 7.5 -11.9 -18.7 19.7 16 453 A F T 3< S+ 0 0 51 -4,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.714 73.1 61.2 -60.5 -29.9 -12.3 -20.5 16.3 17 454 A H T 3 S+ 0 0 125 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.726 106.1 49.5 -69.4 -28.7 -14.7 -23.2 17.8 18 455 A D <> - 0 0 46 -3,-1.3 4,-2.4 1,-0.1 3,-0.4 -0.839 69.7-171.1-112.6 90.7 -17.2 -20.5 18.8 19 456 A P H > S+ 0 0 32 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.826 86.5 55.8 -50.1 -35.8 -17.8 -18.2 15.7 20 457 A W H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.934 110.9 42.0 -62.1 -50.2 -19.8 -15.7 17.8 21 458 A K H > S+ 0 0 54 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.862 115.8 51.0 -63.4 -39.1 -16.9 -15.2 20.3 22 459 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 -7,-0.6 -2,-0.2 0.929 113.0 45.4 -64.9 -45.0 -14.4 -15.1 17.4 23 460 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.848 110.8 52.5 -67.6 -32.6 -16.6 -12.5 15.6 24 461 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.858 107.2 54.1 -67.6 -38.5 -17.0 -10.5 18.9 25 462 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.904 105.4 52.7 -61.6 -42.1 -13.2 -10.5 19.2 26 463 A T H < S+ 0 0 3 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.895 107.9 50.7 -58.9 -43.6 -12.9 -9.1 15.7 27 464 A I H >< S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.928 108.3 53.6 -58.8 -46.1 -15.3 -6.2 16.7 28 465 A F H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 107.1 51.5 -57.9 -33.8 -13.1 -5.6 19.8 29 466 A L T >< S+ 0 0 34 -4,-1.5 3,-1.1 -3,-0.3 2,-0.5 0.357 75.8 127.7 -89.1 2.8 -10.0 -5.3 17.6 30 467 A N T < S- 0 0 64 -3,-1.9 3,-0.1 1,-0.3 -3,-0.0 -0.526 101.0 -30.1 -63.4 110.3 -11.6 -2.7 15.3 31 468 A R T 3 S+ 0 0 237 -2,-0.5 2,-0.3 1,-0.1 -1,-0.3 0.826 122.1 109.9 44.4 42.1 -9.1 0.2 15.2 32 469 A T S < S- 0 0 24 -3,-1.1 -1,-0.1 38,-0.0 2,-0.1 -0.983 74.1-105.6-145.8 138.5 -8.1 -0.8 18.8 33 470 A S > - 0 0 61 -2,-0.3 4,-3.2 36,-0.1 3,-0.2 -0.387 18.4-132.7 -67.2 145.2 -4.9 -2.5 20.1 34 471 A G H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 -1,-0.1 0.925 108.3 57.9 -60.4 -48.8 -4.9 -6.2 21.1 35 472 A K H 4 S+ 0 0 181 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.806 117.6 35.9 -50.3 -37.6 -3.1 -5.4 24.4 36 473 A M H > S+ 0 0 86 -3,-0.2 4,-0.9 2,-0.1 -2,-0.2 0.944 122.1 41.2 -81.9 -57.6 -6.0 -3.1 25.2 37 474 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -3,-0.2 0.873 103.5 63.8 -62.5 -47.6 -9.0 -5.0 23.7 38 475 A I H X S+ 0 0 32 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.888 102.0 47.2 -54.7 -48.9 -8.3 -8.6 24.7 39 476 A P H > S+ 0 0 80 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.920 114.2 48.6 -62.4 -36.9 -8.5 -8.2 28.5 40 477 A V H X S+ 0 0 26 -4,-0.9 4,-2.1 1,-0.2 -2,-0.2 0.885 106.2 59.4 -64.7 -38.4 -11.8 -6.3 28.1 41 478 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.900 102.8 50.9 -56.1 -46.6 -13.0 -9.1 25.8 42 479 A W H X S+ 0 0 118 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.846 112.2 46.7 -63.7 -33.2 -12.6 -11.8 28.6 43 480 A K H X S+ 0 0 103 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.834 112.4 50.6 -74.4 -34.3 -14.7 -9.6 31.0 44 481 A F H X S+ 0 0 0 -4,-2.1 4,-3.8 2,-0.2 -2,-0.2 0.937 110.5 48.3 -64.7 -50.2 -17.3 -9.0 28.3 45 482 A L H < S+ 0 0 17 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.640 108.6 56.1 -66.7 -19.8 -17.6 -12.8 27.6 46 483 A E H < S+ 0 0 145 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.938 118.1 32.5 -74.2 -50.4 -17.9 -13.3 31.4 47 484 A K H < S+ 0 0 94 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.843 134.2 29.6 -74.0 -38.2 -20.9 -11.0 31.5 48 485 A Y S < S+ 0 0 11 -4,-3.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.750 70.2 167.7-124.1 76.0 -22.3 -11.8 28.0 49 486 A P + 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.574 62.4 24.7 -71.9 -9.3 -21.3 -15.5 27.3 50 487 A S S > S- 0 0 45 1,-0.1 4,-1.9 -30,-0.1 3,-0.4 -0.961 80.2-108.5-148.3 163.8 -23.5 -16.1 24.3 51 488 A A H > S+ 0 0 6 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.868 118.9 60.9 -60.3 -35.9 -25.2 -14.2 21.4 52 489 A E H 4 S+ 0 0 91 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.853 108.7 40.5 -57.1 -42.4 -28.5 -15.1 23.3 53 490 A V H 4 S+ 0 0 56 -3,-0.4 3,-0.4 1,-0.2 4,-0.3 0.802 117.6 49.7 -76.1 -34.9 -27.4 -13.1 26.4 54 491 A A H >< S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.836 102.4 57.7 -78.0 -30.9 -25.9 -10.3 24.2 55 492 A R T 3< S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.672 112.0 45.3 -69.3 -14.2 -28.9 -9.8 22.0 56 493 A T T 3 S+ 0 0 108 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.445 93.0 116.4-102.6 -16.7 -30.9 -9.1 25.3 57 494 A A S < S- 0 0 17 -3,-0.7 2,-0.6 -4,-0.3 -3,-0.1 -0.147 70.8-119.4 -62.6 153.3 -28.1 -6.8 26.7 58 495 A D >> - 0 0 64 1,-0.1 4,-1.2 22,-0.0 3,-1.2 -0.890 20.5-141.1 -95.1 118.3 -28.6 -3.1 27.4 59 496 A W H 3> S+ 0 0 66 -2,-0.6 4,-3.2 1,-0.3 5,-0.2 0.806 98.5 61.5 -50.9 -39.1 -26.0 -1.2 25.2 60 497 A R H 3> S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.859 104.1 50.3 -58.5 -36.4 -25.2 1.3 28.0 61 498 A D H <> S+ 0 0 71 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.919 113.3 44.5 -66.1 -41.4 -23.9 -1.6 30.1 62 499 A V H X S+ 0 0 1 -4,-1.2 4,-2.3 1,-0.2 3,-0.3 0.887 110.3 57.6 -65.5 -42.0 -21.8 -2.9 27.2 63 500 A S H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.873 101.6 54.7 -56.6 -43.9 -20.6 0.8 26.6 64 501 A E H < S+ 0 0 122 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.846 110.2 46.0 -62.9 -34.6 -19.3 1.0 30.2 65 502 A L H < S+ 0 0 26 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.908 116.4 45.4 -72.2 -39.6 -17.2 -2.1 29.5 66 503 A L H >X S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.9 0.524 85.9 100.6 -78.8 -11.8 -16.0 -0.6 26.2 67 504 A K G >< S+ 0 0 72 -4,-1.2 3,-0.9 1,-0.3 -1,-0.2 0.870 79.7 47.2 -45.7 -55.2 -15.3 2.9 27.6 68 505 A P G 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.755 109.7 57.6 -62.2 -21.8 -11.5 2.7 28.0 69 506 A L G <4 S- 0 0 21 -3,-1.1 -2,-0.2 1,-0.2 2,-0.2 0.746 101.5-130.1 -78.8 -27.0 -11.2 1.3 24.4 70 507 A G S << S+ 0 0 26 -4,-0.9 -1,-0.2 -3,-0.9 5,-0.1 -0.428 87.3 69.7 95.6-178.3 -12.9 4.1 22.4 71 508 A L > + 0 0 83 -2,-0.2 4,-1.3 1,-0.1 5,-0.1 0.845 67.2 150.0 34.5 43.7 -15.7 3.5 19.8 72 509 A Y H > + 0 0 95 -5,-0.2 4,-1.1 2,-0.2 -6,-0.2 0.860 63.6 36.0 -74.6 -41.8 -17.8 2.6 23.0 73 510 A D H > S+ 0 0 64 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.909 118.5 49.7 -79.4 -46.9 -21.3 3.6 22.0 74 511 A L H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.950 118.5 39.7 -52.0 -56.8 -21.0 2.6 18.3 75 512 A R H X S+ 0 0 4 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.731 111.6 55.7 -70.4 -29.2 -19.6 -0.8 19.2 76 513 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.933 114.9 39.6 -69.7 -42.3 -21.9 -1.4 22.2 77 514 A K H X S+ 0 0 93 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.911 116.7 51.5 -70.0 -39.0 -25.0 -0.8 19.9 78 515 A T H X S+ 0 0 21 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.889 107.7 52.9 -61.0 -45.5 -23.2 -2.8 17.1 79 516 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.921 111.1 46.1 -54.7 -49.3 -22.5 -5.8 19.5 80 517 A V H X S+ 0 0 30 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.894 117.8 42.0 -62.5 -45.5 -26.2 -6.0 20.5 81 518 A K H X S+ 0 0 105 -4,-2.1 4,-2.5 2,-0.2 17,-0.2 0.882 113.9 52.6 -72.0 -39.4 -27.5 -5.8 16.9 82 519 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.934 109.3 49.6 -59.3 -46.0 -24.8 -8.2 15.6 83 520 A S H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -28,-0.2 0.849 112.3 47.8 -63.4 -36.8 -25.8 -10.8 18.3 84 521 A D H >X S+ 0 0 62 -4,-1.5 4,-1.4 2,-0.2 3,-0.7 0.960 115.3 43.8 -67.2 -51.2 -29.4 -10.5 17.3 85 522 A E H 3X S+ 0 0 34 -4,-2.5 4,-2.7 1,-0.2 6,-0.2 0.860 106.0 62.2 -59.8 -42.0 -28.7 -10.9 13.6 86 523 A Y H 3< S+ 0 0 43 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 114.8 34.8 -52.6 -36.4 -26.2 -13.7 14.3 87 524 A L H << S+ 0 0 65 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.642 125.3 38.7 -94.1 -23.1 -29.2 -15.7 15.7 88 525 A T H < S+ 0 0 61 -4,-1.4 -3,-0.2 -3,-0.2 -2,-0.2 0.828 97.4 76.8 -97.9 -42.9 -32.1 -14.5 13.5 89 526 A K S < S- 0 0 93 -4,-2.7 2,-1.3 -5,-0.2 8,-0.0 -0.462 77.1-130.2 -74.9 143.2 -30.6 -14.2 9.9 90 527 A Q + 0 0 177 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.459 48.8 171.0 -92.9 65.4 -30.0 -17.4 7.9 91 528 A W - 0 0 51 -2,-1.3 6,-0.0 -6,-0.2 0, 0.0 -0.352 36.0-175.0 -79.8 150.3 -26.4 -16.5 7.1 92 529 A K S S+ 0 0 131 1,-0.4 -1,-0.1 -2,-0.1 -2,-0.0 0.751 84.3 29.4-106.4 -46.0 -23.6 -18.5 5.4 93 530 A Y S > S- 0 0 52 1,-0.0 3,-1.7 16,-0.0 -1,-0.4 -0.955 80.2-129.4-116.4 136.1 -20.8 -15.9 5.8 94 531 A P G > S+ 0 0 0 0, 0.0 3,-2.4 0, 0.0 6,-0.3 0.611 97.2 82.0 -65.1 -15.1 -20.7 -13.3 8.7 95 532 A I G 3 S+ 0 0 88 1,-0.3 5,-0.1 4,-0.1 4,-0.1 0.723 84.0 66.9 -56.6 -22.3 -20.2 -10.3 6.3 96 533 A E G < S+ 0 0 86 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.598 91.1 84.4 -69.3 -20.0 -24.1 -10.6 5.9 97 534 A L S X S- 0 0 5 -3,-2.4 3,-1.5 -4,-0.1 2,-0.2 -0.610 93.6 -97.2 -91.8 147.1 -24.4 -9.6 9.7 98 535 A H T 3 S+ 0 0 63 -17,-0.2 -12,-0.1 1,-0.2 3,-0.1 -0.502 108.1 16.9 -65.9 127.9 -24.4 -6.1 11.1 99 536 A G T 3 S+ 0 0 32 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.318 100.7 102.3 91.8 -5.2 -20.9 -5.0 12.3 100 537 A I < + 0 0 11 -3,-1.5 -1,-0.2 -6,-0.3 2,-0.2 -0.962 42.7 156.9-112.5 126.4 -19.0 -7.7 10.5 101 538 A G > - 0 0 37 -2,-0.5 4,-2.2 -3,-0.1 5,-0.2 -0.321 61.3 -47.9-122.3-153.9 -17.2 -6.5 7.3 102 539 A K H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.852 131.4 51.6 -56.1 -43.3 -14.2 -7.8 5.3 103 540 A Y H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.943 114.0 39.5 -64.3 -51.6 -11.9 -8.2 8.3 104 541 A G H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.850 116.3 53.8 -65.0 -34.0 -14.2 -10.3 10.5 105 542 A N H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.873 108.0 48.9 -69.9 -37.4 -15.3 -12.2 7.4 106 543 A D H X S+ 0 0 9 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.849 110.8 51.3 -67.3 -38.3 -11.7 -13.1 6.5 107 544 A S H >X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 3,-0.8 0.971 111.8 46.7 -65.7 -50.5 -11.1 -14.2 10.1 108 545 A Y H 3X>S+ 0 0 27 -4,-2.6 4,-2.7 1,-0.2 5,-1.2 0.912 112.1 51.0 -52.5 -49.6 -14.2 -16.5 10.0 109 546 A R H 3<5S+ 0 0 48 -4,-2.2 6,-1.4 1,-0.2 -1,-0.2 0.728 117.9 37.9 -65.7 -22.3 -13.1 -17.8 6.6 110 547 A I H <<5S+ 0 0 0 -4,-1.2 6,-0.3 -3,-0.8 -2,-0.2 0.837 131.5 25.8 -92.6 -41.4 -9.5 -18.7 7.8 111 548 A F H <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.794 125.3 36.9 -97.5 -37.3 -10.5 -19.8 11.4 112 549 A C T <5S+ 0 0 31 -4,-2.7 2,-0.3 -5,-0.4 -3,-0.2 0.617 122.7 28.7 -97.2 -18.1 -14.1 -21.2 11.5 113 550 A V S > + 0 0 27 -6,-1.4 3,-1.6 -2,-1.4 4,-0.6 0.195 28.6 120.0-130.5 16.5 -11.4 -21.6 3.2 116 553 A W G >4 S+ 0 0 14 -6,-0.3 3,-1.0 -3,-0.3 -6,-0.1 0.795 71.9 60.9 -53.8 -37.1 -8.1 -19.8 4.0 117 554 A K G 34 S+ 0 0 95 1,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.758 105.1 48.9 -61.4 -29.9 -6.7 -20.5 0.5 118 555 A Q G <4 S+ 0 0 113 -3,-1.6 -1,-0.2 -9,-0.2 2,-0.2 0.570 95.5 95.8 -87.2 -11.9 -9.7 -18.5 -1.0 119 556 A V << - 0 0 1 -3,-1.0 -13,-0.0 -4,-0.6 -12,-0.0 -0.587 50.8-168.8 -86.9 140.7 -9.1 -15.5 1.4 120 557 A H - 0 0 133 -2,-0.2 7,-0.1 2,-0.0 -14,-0.1 -0.823 23.1-159.6-125.2 81.4 -7.1 -12.3 0.6 121 558 A P - 0 0 9 0, 0.0 -18,-0.1 0, 0.0 -19,-0.0 -0.259 23.8-173.0 -68.6 158.9 -6.7 -10.5 4.0 122 559 A E + 0 0 157 -20,-0.0 2,-0.4 -19,-0.0 -19,-0.1 -0.298 56.0 101.5-141.9 41.1 -5.9 -6.7 4.5 123 560 A A S > S- 0 0 23 1,-0.1 4,-2.9 -20,-0.1 5,-0.2 -0.989 73.9-127.3-129.4 127.7 -5.4 -6.7 8.3 124 561 A H H > S+ 0 0 126 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.880 104.4 34.8 -41.0 -67.0 -1.8 -6.7 9.6 125 562 A K H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.797 119.6 50.7 -62.6 -38.5 -1.8 -9.6 12.0 126 563 A L H > S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.883 109.2 52.1 -68.6 -39.6 -4.2 -11.7 9.9 127 564 A N H X S+ 0 0 49 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.928 110.3 48.5 -60.0 -49.0 -2.0 -11.1 6.8 128 565 A K H X S+ 0 0 67 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.938 115.4 44.2 -58.0 -48.5 1.1 -12.4 8.7 129 566 A Y H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.905 116.1 46.5 -61.7 -48.7 -0.9 -15.4 9.9 130 567 A H H X S+ 0 0 10 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.866 113.3 48.5 -63.6 -40.4 -2.4 -16.0 6.4 131 568 A D H X S+ 0 0 93 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.894 110.7 52.4 -65.2 -40.0 1.0 -15.6 4.6 132 569 A W H X S+ 0 0 40 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.820 106.8 53.4 -62.9 -35.6 2.5 -18.0 7.3 133 570 A L H < S+ 0 0 12 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.881 109.1 47.1 -67.2 -43.8 -0.2 -20.6 6.4 134 571 A W H < S+ 0 0 120 -4,-1.5 3,-0.3 2,-0.1 -2,-0.2 0.804 117.4 45.7 -67.8 -31.5 0.6 -20.5 2.6 135 572 A E H < S+ 0 0 154 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.981 117.7 37.7 -73.6 -64.3 4.4 -20.8 3.5 136 573 A N S < S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.052 88.7 129.1 -77.8 23.6 4.3 -23.7 6.1 137 574 A H 0 0 66 -3,-0.3 -1,-0.2 -5,-0.0 -2,-0.1 0.930 360.0 360.0 -46.3 -80.9 1.6 -25.2 3.9 138 575 A E 0 0 213 -3,-0.3 -3,-0.0 -4,-0.2 -2,-0.0 0.813 360.0 360.0 -90.6 360.0 2.7 -28.9 3.3