==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 08-NOV-12 4HWT . COMPND 2 MOLECULE: THREONINE--TRNA LIGASE, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.T.HILGERS . 797 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 17.9 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 63 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.6 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 2 2 4 1 1 2 1 2 3 0 0 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 6 3 4 4 6 2 4 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 5 0 2 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 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 1 354 A R 0 0 197 0, 0.0 2,-0.4 0, 0.0 285,-0.1 0.000 360.0 360.0 360.0 -19.8 -3.5 -25.6 -39.4 2 355 A D > - 0 0 25 1,-0.1 4,-2.8 284,-0.1 3,-0.3 -0.858 360.0-136.1-100.6 131.0 -3.7 -28.3 -36.7 3 356 A H H > S+ 0 0 6 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.864 104.0 57.3 -58.7 -38.3 -0.4 -29.7 -35.4 4 357 A R H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 112.2 40.5 -53.7 -50.9 -1.9 -33.3 -35.4 5 358 A K H > S+ 0 0 84 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.963 117.7 46.6 -66.4 -49.7 -2.7 -33.0 -39.1 6 359 A I H X S+ 0 0 15 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.916 112.4 52.7 -55.6 -41.6 0.5 -31.2 -40.1 7 360 A G H <>S+ 0 0 0 -4,-3.3 5,-2.6 -5,-0.3 6,-1.1 0.845 111.3 46.1 -63.4 -36.2 2.5 -33.8 -38.0 8 361 A R H ><5S+ 0 0 128 -4,-1.7 3,-1.1 -5,-0.2 -1,-0.2 0.947 114.6 46.1 -69.9 -52.0 0.8 -36.6 -39.8 9 362 A D H 3<5S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.772 116.4 45.1 -63.5 -31.4 1.3 -35.1 -43.3 10 363 A Q T 3<5S- 0 0 15 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.407 108.5-122.7 -96.1 2.1 5.0 -34.2 -42.6 11 364 A E T < 5S+ 0 0 65 -3,-1.1 17,-0.5 -4,-0.2 18,-0.5 0.870 74.3 125.9 55.7 42.6 5.8 -37.5 -41.1 12 365 A L S - 0 0 53 6,-0.5 3,-1.6 3,-0.4 6,-0.3 -0.991 24.3-133.1-136.9 141.7 -1.8 -44.3 -30.9 17 370 A E T 3 S+ 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 439,-0.0 0.735 104.5 68.9 -60.3 -26.8 -4.7 -45.6 -28.7 18 371 A L T 3 S+ 0 0 13 1,-0.3 438,-2.7 437,-0.1 -1,-0.3 0.607 114.0 26.8 -73.5 -10.9 -2.3 -48.0 -27.0 19 372 A S S X S- 0 0 2 -3,-1.6 3,-1.8 436,-0.2 -3,-0.4 -0.398 82.8-167.3-145.3 70.0 -0.6 -45.1 -25.4 20 373 A P T 3 S+ 0 0 43 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.280 76.0 20.4 -62.9 136.6 -3.0 -42.2 -25.0 21 374 A G T 3 S+ 0 0 10 1,-0.2 115,-2.6 115,-0.1 116,-1.7 0.515 105.0 96.1 83.2 4.0 -1.3 -38.9 -24.1 22 375 A S < - 0 0 5 -3,-1.8 -6,-0.5 -6,-0.3 2,-0.3 -0.942 65.3-133.5-121.7 151.5 2.2 -40.0 -25.3 23 376 A C - 0 0 8 -2,-0.3 2,-0.7 114,-0.2 -8,-0.2 -0.775 4.5-146.1-109.7 145.7 3.7 -39.2 -28.7 24 377 A F E -A 14 0A 0 -10,-2.3 -10,-2.0 -2,-0.3 2,-0.8 -0.937 20.5-158.6-102.6 110.7 5.5 -41.3 -31.3 25 378 A F E -AB 13 450A 2 425,-2.9 425,-1.8 -2,-0.7 -12,-0.3 -0.822 6.5-148.6 -93.3 110.4 8.1 -39.0 -32.9 26 379 A L >> - 0 0 8 -14,-1.3 4,-3.0 -2,-0.8 3,-0.9 -0.189 41.8 -84.5 -64.3 166.2 9.1 -40.3 -36.3 27 380 A P H 3> S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.874 131.0 47.9 -44.3 -48.1 12.8 -39.5 -37.4 28 381 A K H 3> S+ 0 0 34 -17,-0.5 4,-1.1 1,-0.2 -16,-0.2 0.825 115.5 44.7 -67.5 -31.5 11.9 -36.0 -38.8 29 382 A G H <> S+ 0 0 1 -3,-0.9 4,-2.7 -17,-0.5 -1,-0.2 0.857 111.0 54.0 -74.7 -37.2 9.9 -35.1 -35.6 30 383 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 418,-0.2 -2,-0.2 0.870 103.9 56.6 -63.9 -38.3 12.7 -36.5 -33.5 31 384 A Y H X S+ 0 0 52 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.923 109.5 45.0 -54.0 -46.5 15.1 -34.3 -35.3 32 385 A I H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.908 110.4 55.0 -65.3 -44.4 12.9 -31.3 -34.3 33 386 A Y H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.932 113.1 40.9 -51.5 -54.2 12.7 -32.6 -30.7 34 387 A N H X S+ 0 0 36 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.806 108.5 59.2 -70.6 -31.7 16.5 -32.8 -30.4 35 388 A A H X S+ 0 0 15 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.905 107.3 49.2 -65.2 -35.1 17.2 -29.5 -32.1 36 389 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.945 111.3 46.8 -68.0 -47.9 15.0 -27.8 -29.5 37 390 A I H X S+ 0 0 7 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.935 113.0 52.4 -56.9 -43.0 16.9 -29.5 -26.6 38 391 A E H X S+ 0 0 75 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.882 106.9 51.4 -59.7 -43.6 20.1 -28.5 -28.3 39 392 A F H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.959 112.4 45.3 -58.2 -55.1 19.1 -24.9 -28.6 40 393 A I H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.949 110.2 56.0 -54.2 -50.4 18.3 -24.7 -24.9 41 394 A R H 3X S+ 0 0 43 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.889 103.7 53.5 -48.3 -42.0 21.6 -26.6 -24.1 42 395 A S H 3X S+ 0 0 23 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.800 109.1 48.5 -72.7 -27.8 23.7 -24.0 -25.9 43 396 A E H <>S+ 0 0 6 -4,-2.5 5,-2.3 1,-0.2 3,-0.6 0.888 103.5 53.6 -52.0 -44.0 22.7 -23.2 -20.6 45 398 A R H ><5S+ 0 0 66 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.860 110.6 47.0 -63.7 -32.1 26.4 -23.3 -21.4 46 399 A K H 3<5S+ 0 0 120 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.677 115.7 45.7 -81.6 -18.1 26.4 -19.5 -21.8 47 400 A R T <<5S- 0 0 61 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.114 113.8-101.5-119.1 20.4 24.5 -18.9 -18.6 48 401 A G T < 5 + 0 0 31 -3,-0.6 65,-0.5 -4,-0.3 2,-0.4 0.809 69.2 146.6 63.8 32.9 26.1 -21.2 -15.9 49 402 A F < - 0 0 20 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.876 33.8-154.2 -99.1 140.0 23.5 -24.0 -16.0 50 403 A Q E -c 114 0B 83 63,-2.7 65,-2.5 -2,-0.4 2,-0.1 -0.931 10.4-136.6-121.3 120.7 24.6 -27.6 -15.4 51 404 A E E -c 115 0B 35 -2,-0.5 2,-0.3 63,-0.2 376,-0.3 -0.463 24.1-177.9 -83.0 145.2 22.7 -30.5 -16.8 52 405 A V - 0 0 0 63,-2.9 2,-0.4 -2,-0.1 65,-0.4 -0.904 22.1-133.9-134.8 162.9 22.0 -33.6 -14.7 53 406 A V B +J 422 0C 16 369,-1.6 369,-3.1 -2,-0.3 63,-0.1 -0.989 28.6 179.8-120.3 130.4 20.4 -37.0 -15.2 54 407 A T - 0 0 2 -2,-0.4 367,-0.2 367,-0.2 366,-0.1 -0.792 30.9 -89.7-124.4 166.5 18.0 -38.3 -12.5 55 408 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.148 20.7-148.4 -65.4 168.9 15.8 -41.4 -11.9 56 409 A N S S+ 0 0 4 1,-0.2 33,-2.9 32,-0.1 2,-0.4 0.654 80.4 55.2-111.6 -30.5 12.2 -41.6 -13.1 57 410 A I E +L 88 0D 2 31,-0.2 2,-0.4 359,-0.1 31,-0.2 -0.909 64.7 178.9-110.1 132.7 10.7 -43.8 -10.3 58 411 A F E -L 87 0D 2 29,-2.2 29,-1.9 -2,-0.4 358,-0.2 -0.998 36.1-101.0-134.3 137.9 11.0 -42.8 -6.6 59 412 A N E >> -L 86 0D 5 356,-3.1 3,-1.8 -2,-0.4 4,-0.6 -0.222 40.0-114.4 -45.3 139.1 9.7 -44.5 -3.4 60 413 A S H >> S+ 0 0 10 25,-3.5 4,-1.7 1,-0.3 3,-0.5 0.772 109.1 76.5 -55.6 -28.8 6.6 -42.7 -2.1 61 414 A R H 3> S+ 0 0 114 24,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.832 91.4 55.0 -51.5 -33.5 8.5 -41.5 1.0 62 415 A L H <> S+ 0 0 0 -3,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.898 105.9 50.2 -68.3 -39.4 10.2 -38.8 -1.2 63 416 A W H S+ 0 0 1 -4,-0.6 6,-2.6 -3,-0.5 5,-1.8 0.787 110.5 51.1 -70.1 -27.2 6.8 -37.5 -2.4 64 417 A M H <5S+ 0 0 77 -4,-1.7 -2,-0.2 4,-0.2 -1,-0.2 0.922 112.3 46.0 -69.3 -49.3 5.7 -37.4 1.3 65 418 A T H <5S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.925 116.4 45.0 -57.4 -46.3 8.9 -35.4 2.2 66 419 A S H <5S- 0 0 0 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.828 111.8-117.3 -71.4 -30.5 8.4 -33.1 -0.8 67 420 A G T X5S+ 0 0 0 -4,-1.5 4,-0.9 -5,-0.2 -3,-0.2 0.535 85.0 113.5 100.6 13.5 4.7 -32.5 -0.2 68 421 A H H >< + 0 0 0 -5,-1.8 4,-2.1 -6,-0.2 5,-0.2 0.749 68.8 56.9 -85.8 -29.4 3.7 -34.1 -3.6 69 422 A W H 4 S+ 0 0 44 -6,-2.6 4,-0.5 3,-0.2 -5,-0.2 0.856 112.6 41.7 -72.8 -31.8 2.0 -37.1 -2.1 70 423 A Q H 4 S+ 0 0 81 -7,-0.5 -1,-0.2 -6,-0.1 -2,-0.2 0.795 129.8 26.3 -81.6 -30.2 -0.4 -34.9 -0.1 71 424 A H H < S+ 0 0 31 -4,-0.9 -2,-0.2 2,-0.1 -3,-0.2 0.551 133.5 27.1-111.9 -13.9 -1.0 -32.3 -2.9 72 425 A Y S >< S+ 0 0 36 -4,-2.1 3,-0.6 -9,-0.1 -3,-0.2 0.303 77.6 118.3-138.5 3.0 -0.4 -34.1 -6.2 73 426 A S G > S+ 0 0 43 -4,-0.5 3,-1.8 1,-0.2 -3,-0.1 0.866 79.1 49.4 -41.1 -55.4 -1.3 -37.8 -5.4 74 427 A E G 3 S+ 0 0 124 1,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 0.858 106.6 56.6 -60.6 -38.2 -4.1 -38.0 -7.9 75 428 A N G < S+ 0 0 60 -3,-0.6 48,-2.5 47,-0.1 2,-0.3 0.327 99.2 83.4 -71.3 4.6 -2.0 -36.5 -10.7 76 429 A M S < S- 0 0 10 -3,-1.8 2,-0.6 46,-0.2 46,-0.1 -0.867 74.1-129.7-119.9 147.6 0.6 -39.3 -10.2 77 430 A F + 0 0 11 -2,-0.3 11,-2.1 11,-0.3 2,-0.3 -0.857 36.0 179.5 -92.2 118.5 1.1 -42.9 -11.4 78 431 A S E +M 87 0D 48 -2,-0.6 399,-0.3 9,-0.2 2,-0.3 -0.813 10.1 166.1-120.6 158.8 1.9 -45.2 -8.6 79 432 A F E -M 86 0D 11 7,-2.4 7,-3.2 -2,-0.3 2,-0.3 -0.978 32.9-102.0-162.0 160.6 2.5 -48.9 -8.2 80 433 A E E -M 85 0D 136 -2,-0.3 2,-0.3 395,-0.3 5,-0.2 -0.648 26.0-178.2 -92.7 148.8 3.9 -51.4 -5.7 81 434 A V E > S-M 84 0D 4 3,-3.1 3,-2.4 -2,-0.3 -2,-0.0 -0.952 74.9 -18.9-144.1 127.2 7.3 -53.0 -5.7 82 435 A E T 3 S- 0 0 85 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.896 128.6 -50.4 34.5 56.9 8.3 -55.7 -3.0 83 436 A K T 3 S+ 0 0 182 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.631 121.1 106.2 66.3 12.0 5.5 -54.5 -0.7 84 437 A E E < - M 0 81D 82 -3,-2.4 -3,-3.1 -24,-0.0 2,-0.5 -0.902 69.9-116.9-122.5 156.8 6.6 -50.8 -1.0 85 438 A L E + M 0 80D 59 -2,-0.3 -25,-3.5 -5,-0.2 -24,-0.3 -0.809 32.8 174.6-100.1 123.4 4.9 -48.0 -3.0 86 439 A F E -LM 59 79D 8 -7,-3.2 -7,-2.4 -2,-0.5 2,-0.3 -0.806 8.7-163.6-117.6 162.5 6.7 -46.2 -5.8 87 440 A A E -LM 58 78D 0 -29,-1.9 -29,-2.2 -2,-0.3 -9,-0.2 -0.996 25.5-112.1-148.3 145.8 5.6 -43.5 -8.3 88 441 A L E -L 57 0D 3 -11,-2.1 -11,-0.3 -2,-0.3 -31,-0.2 -0.488 50.3 -99.8 -69.0 141.0 6.8 -42.0 -11.6 89 442 A K - 0 0 1 -33,-2.9 32,-2.8 30,-0.2 -1,-0.1 -0.419 32.7-176.7 -69.7 136.4 8.0 -38.5 -11.3 90 443 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.489 78.9 21.1 -98.9 -10.7 5.7 -35.6 -12.2 91 444 A M - 0 0 18 28,-0.1 4,-0.3 1,-0.0 30,-0.1 -0.970 65.0-138.0-151.5 155.8 8.5 -33.1 -11.5 92 445 A N S > S+ 0 0 2 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 0.598 79.7 93.9 -89.1 -12.9 12.3 -33.0 -11.2 93 446 A C H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.861 81.3 49.8 -57.1 -46.4 12.5 -30.8 -8.1 94 447 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.916 110.0 51.4 -63.8 -40.3 12.6 -33.5 -5.3 95 448 A G H > S+ 0 0 3 -3,-0.3 4,-2.0 -4,-0.3 -2,-0.2 0.931 109.4 51.8 -58.5 -40.5 15.4 -35.4 -7.1 96 449 A H H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.874 105.2 54.8 -65.0 -32.4 17.3 -32.1 -7.4 97 450 A C H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.931 106.7 51.3 -64.9 -44.3 16.9 -31.5 -3.6 98 451 A L H X S+ 0 0 13 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.914 111.2 48.9 -54.0 -44.3 18.4 -34.9 -3.0 99 452 A M H >< S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.2 4,-0.2 0.902 111.3 47.6 -66.7 -43.4 21.4 -33.9 -5.3 100 453 A F H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.876 115.0 47.6 -62.8 -37.4 21.9 -30.6 -3.5 101 454 A D H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.573 83.4 97.3 -80.6 -10.6 21.7 -32.4 -0.2 102 455 A H T << S+ 0 0 66 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.670 99.4 0.2 -53.8 -24.7 24.2 -35.2 -1.3 103 456 A R S < S- 0 0 81 -3,-0.6 -1,-0.1 -4,-0.2 0, 0.0 -0.964 98.5 -70.8-161.9 156.4 27.2 -33.4 0.4 104 457 A P - 0 0 110 0, 0.0 2,-0.4 0, 0.0 151,-0.1 -0.222 51.7-137.6 -60.5 145.6 27.7 -30.2 2.4 105 458 A R - 0 0 17 149,-0.3 151,-3.9 -4,-0.0 2,-0.3 -0.860 7.2-147.9-114.2 141.7 27.4 -27.0 0.3 106 459 A S B > -n 256 0E 33 -2,-0.4 3,-1.6 149,-0.2 4,-0.4 -0.783 22.7-126.7-106.1 143.1 29.5 -23.9 0.3 107 460 A W G > S+ 0 0 119 149,-2.0 3,-0.8 -2,-0.3 41,-0.1 0.724 107.0 70.5 -58.2 -22.5 28.2 -20.4 -0.4 108 461 A R G 3 S+ 0 0 185 1,-0.2 -1,-0.3 148,-0.2 149,-0.0 0.741 93.2 52.8 -68.4 -27.8 30.9 -20.2 -3.0 109 462 A E G < S+ 0 0 54 -3,-1.6 -1,-0.2 3,-0.0 -2,-0.2 0.533 93.3 138.7 -86.1 -4.2 29.3 -22.7 -5.3 110 463 A L < + 0 0 12 -3,-0.8 37,-0.1 -4,-0.4 2,-0.1 -0.730 44.8 49.8 -92.8 141.2 26.0 -20.7 -5.2 111 464 A P S S- 0 0 32 0, 0.0 2,-0.6 0, 0.0 36,-0.2 0.316 77.8-178.2 -73.4 136.5 24.0 -19.9 -7.4 112 465 A L E - D 0 146B 10 34,-2.8 34,-3.3 -2,-0.1 2,-0.6 -0.949 6.7-164.6-111.0 116.1 24.0 -23.6 -8.4 113 466 A R E - D 0 145B 43 -2,-0.6 -63,-2.7 -65,-0.5 2,-0.6 -0.902 2.8-166.4-112.4 111.2 21.7 -24.2 -11.3 114 467 A L E -cD 50 144B 3 30,-2.8 30,-2.1 -2,-0.6 2,-0.3 -0.877 4.4-166.9-103.7 117.2 20.6 -27.8 -12.1 115 468 A A E +cD 51 143B 0 -65,-2.5 -63,-2.9 -2,-0.6 2,-0.3 -0.791 7.8 178.6-102.1 145.5 19.1 -28.5 -15.5 116 469 A D E - 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0 0 11 -2,-1.3 4,-2.2 -136,-0.2 -136,-0.3 -0.967 65.8-126.0-144.0 149.9 23.2 -49.5 -21.8 674 630 B V H > S+ 0 0 1 -138,-2.8 4,-3.0 -2,-0.3 5,-0.2 0.955 112.5 52.9 -57.3 -48.2 24.8 -46.2 -21.1 675 631 B E H > S+ 0 0 2 -139,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.933 109.4 46.4 -51.0 -56.5 24.7 -47.1 -17.4 676 632 B R H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 114.2 50.4 -54.3 -41.6 26.5 -50.4 -17.8 677 633 B M H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.895 106.6 51.6 -72.4 -39.5 29.0 -48.7 -20.1 678 634 B I H X S+ 0 0 1 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.944 109.7 52.9 -55.8 -46.3 29.8 -45.9 -17.6 679 635 B A H X S+ 0 0 1 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.968 111.7 44.7 -49.6 -57.9 30.4 -48.6 -15.0 680 636 B I H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.900 116.8 44.9 -54.3 -47.6 32.8 -50.4 -17.3 681 637 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.4 0.900 107.2 56.7 -72.2 -42.8 34.7 -47.3 -18.3 682 638 B T H X>S+ 0 0 0 -4,-3.2 5,-0.8 -5,-0.2 4,-0.8 0.910 116.3 38.3 -50.5 -46.7 34.9 -45.7 -14.9 683 639 B E H <5S+ 0 0 29 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.929 112.5 57.1 -73.4 -44.9 36.7 -49.0 -13.8 684 640 B N H <5S+ 0 0 21 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.897 118.7 30.3 -50.3 -51.3 38.7 -49.4 -17.0 685 641 B Y H ><5S- 0 0 28 -4,-2.5 3,-1.8 -5,-0.1 -1,-0.2 0.574 99.2-134.8 -88.9 -11.3 40.4 -46.0 -16.8 686 642 B G T 3<5S- 0 0 41 -4,-0.8 -3,-0.2 -5,-0.4 -4,-0.1 0.778 75.7 -49.0 64.0 27.6 40.4 -45.9 -13.0 687 643 B G T 3 > - 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0 0 97 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.289 33.3-113.3 -69.2 155.6 51.9 -23.0 -4.1 735 691 B L H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 120.3 50.2 -47.3 -51.7 51.6 -23.0 -7.8 736 692 B N H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.832 108.4 52.5 -62.1 -35.2 53.3 -26.4 -7.9 737 693 B K H > S+ 0 0 107 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.963 110.3 47.4 -63.7 -50.2 50.9 -27.8 -5.3 738 694 B K H X S+ 0 0 12 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.857 111.0 51.0 -60.4 -39.3 47.9 -26.7 -7.2 739 695 B I H X S+ 0 0 4 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.952 111.6 48.6 -60.0 -49.9 49.3 -28.2 -10.5 740 696 B R H X S+ 0 0 130 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.892 110.2 51.5 -58.7 -45.5 49.9 -31.4 -8.7 741 697 B N H X S+ 0 0 65 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.913 109.6 48.3 -57.4 -46.2 46.4 -31.5 -7.2 742 698 B A H <>S+ 0 0 4 -4,-2.2 5,-2.3 1,-0.2 -2,-0.2 0.908 111.5 52.3 -64.7 -39.4 44.7 -30.9 -10.6 743 699 B Q H ><5S+ 0 0 10 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.850 110.9 45.7 -61.0 -41.0 46.9 -33.7 -12.0 744 700 B L H 3<5S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.790 107.3 58.0 -73.5 -26.8 45.8 -36.1 -9.2 745 701 B A T 3<5S- 0 0 41 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.446 121.4-113.4 -82.3 1.7 42.2 -35.1 -9.7 746 702 B Q T < 5 + 0 0 43 -3,-0.8 2,-0.3 1,-0.2 -50,-0.2 0.684 53.4 165.0 80.0 25.2 42.7 -36.2 -13.3 747 703 B Y < - 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