==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 04-FEB-08 3C6H . COMPND 2 MOLECULE: TERMINASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB49; . AUTHOR S.SUN,M.G.ROSSMANN . 372 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 12.4 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 53 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 3 0 1 1 0 2 0 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 1 367 A L 0 0 97 0, 0.0 2,-5.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-108.3 13.5 7.9 28.1 2 368 A S + 0 0 94 1,-0.3 149,-0.0 145,-0.0 145,-0.0 0.109 360.0 81.1 -26.9 26.5 11.7 11.3 28.2 3 369 A R S S+ 0 0 221 -2,-5.3 2,-0.5 2,-0.1 -1,-0.3 0.139 75.8 109.3-113.8 7.4 14.8 13.3 27.4 4 370 A L + 0 0 34 -3,-0.4 2,-0.3 143,-0.1 138,-0.1 -0.729 46.5 175.6 -89.5 125.1 13.8 12.1 23.9 5 371 A S - 0 0 59 -2,-0.5 2,-0.3 136,-0.3 142,-0.1 -0.789 15.2-142.8-120.1 166.0 12.5 14.7 21.5 6 372 A F - 0 0 60 -2,-0.3 2,-0.6 141,-0.0 137,-0.2 -0.935 13.9-126.7-131.8 155.8 11.5 14.3 17.8 7 373 A I - 0 0 18 135,-2.5 2,-2.1 -2,-0.3 137,-0.4 -0.910 29.0-134.0 -99.2 122.8 11.7 16.4 14.7 8 374 A D + 0 0 58 -2,-0.6 195,-3.5 202,-0.4 2,-0.1 -0.474 36.6 174.9 -80.9 72.5 8.2 16.6 13.2 9 375 A V B -A 202 0A 8 -2,-2.1 193,-0.3 193,-0.3 135,-0.1 -0.475 37.1 -96.9 -78.6 150.1 9.1 15.8 9.7 10 376 A V - 0 0 42 191,-2.8 2,-1.7 -2,-0.1 7,-0.4 -0.392 32.9-113.9 -69.7 143.0 6.3 15.4 7.1 11 377 A N - 0 0 78 5,-0.1 2,-2.9 1,-0.1 3,-0.2 -0.589 30.1-160.8 -77.0 85.5 5.2 11.9 6.2 12 378 A D B > -B 15 0B 97 -2,-1.7 3,-1.0 3,-1.3 -1,-0.1 -0.338 69.5 -53.7 -70.8 67.3 6.4 11.8 2.6 13 379 A N T 3 S- 0 0 135 -2,-2.9 -1,-0.2 1,-0.2 3,-0.1 0.941 115.8 -37.4 65.3 48.0 4.2 8.9 1.6 14 380 A G T 3 S+ 0 0 9 -3,-0.2 43,-2.9 1,-0.2 2,-0.5 -0.026 119.8 106.3 95.0 -29.1 5.4 6.6 4.3 15 381 A F E < -BC 12 56B 9 -3,-1.0 -3,-1.3 41,-0.2 2,-0.5 -0.755 49.6-166.5 -92.7 118.6 9.0 7.8 4.2 16 382 A Y E - C 0 55B 39 39,-4.0 39,-2.8 -2,-0.5 2,-0.5 -0.896 6.1-167.7-105.8 123.8 10.4 10.0 7.0 17 383 A Q E + C 0 54B 35 -2,-0.5 37,-0.3 -7,-0.4 184,-0.2 -0.935 22.5 163.7-120.2 121.2 13.7 11.8 6.4 18 384 A F S S+ 0 0 9 35,-4.1 2,-0.3 -2,-0.5 36,-0.2 0.653 78.5 13.8-101.7 -23.0 15.8 13.6 9.0 19 385 A E S S- 0 0 37 34,-1.6 -1,-0.4 32,-0.0 3,-0.1 -0.960 73.6-134.4-152.4 136.3 19.1 13.9 7.2 20 386 A K - 0 0 79 -2,-0.3 2,-0.1 -3,-0.1 57,-0.1 -0.490 48.8 -71.4 -87.6 164.8 19.8 13.4 3.5 21 387 A P - 0 0 40 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.353 43.9-165.1 -64.0 130.5 22.8 11.3 2.4 22 388 A K > - 0 0 120 -2,-0.1 3,-2.0 -3,-0.1 55,-0.0 -0.971 26.2-118.3-116.8 117.3 26.3 12.7 2.8 23 389 A E T 3 S+ 0 0 157 -2,-0.5 3,-0.1 1,-0.3 54,-0.0 -0.147 99.8 37.2 -51.2 145.8 29.1 11.0 1.0 24 390 A G T 3 S+ 0 0 52 1,-0.3 2,-0.4 160,-0.0 -1,-0.3 0.138 92.1 106.2 95.5 -22.6 31.7 9.6 3.3 25 391 A R < - 0 0 38 -3,-2.0 2,-0.6 159,-0.2 -1,-0.3 -0.773 62.6-142.5 -94.5 137.3 29.2 8.5 5.9 26 392 A K - 0 0 100 -2,-0.4 19,-1.6 -3,-0.1 20,-0.5 -0.894 21.1-170.3-104.2 118.5 28.4 4.8 6.2 27 393 A Y E -D 44 0B 6 -2,-0.6 2,-0.3 50,-0.4 17,-0.2 -0.413 10.4-158.4 -98.9 174.7 24.8 3.8 6.9 28 394 A V E -D 43 0B 0 15,-1.9 15,-3.3 52,-0.1 2,-0.4 -0.966 6.6-156.1-153.8 141.5 23.0 0.6 7.8 29 395 A A E -De 42 82B 0 52,-2.1 54,-3.7 -2,-0.3 2,-0.3 -0.970 5.4-169.9-126.5 139.6 19.4 -0.3 7.4 30 396 A T E -De 41 83B 0 11,-2.1 11,-2.3 -2,-0.4 2,-0.4 -0.952 9.8-155.8-126.5 147.3 17.3 -2.9 9.3 31 397 A L E -De 40 84B 0 52,-1.9 54,-2.3 -2,-0.3 2,-0.5 -0.985 16.5-175.0-133.5 132.9 13.8 -4.0 8.3 32 398 A D E -D 39 0B 9 7,-1.4 7,-2.4 -2,-0.4 133,-0.1 -0.980 29.6-158.4-120.9 112.8 10.8 -5.6 10.2 33 399 A C 0 0 1 -2,-0.5 57,-0.1 52,-0.3 56,-0.1 -0.245 360.0 360.0 -92.4 177.1 8.0 -6.5 7.7 34 400 A S 0 0 59 27,-0.1 -1,-0.1 55,-0.1 4,-0.1 0.130 360.0 360.0 -25.9 360.0 4.2 -7.2 7.6 35 ! 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 36 406 A D 0 0 119 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 136.6 1.6 -4.1 12.3 37 407 A Y - 0 0 66 -4,-0.1 2,-0.4 23,-0.1 22,-0.3 -0.735 360.0-105.7-116.4 164.2 3.5 -1.9 9.9 38 408 A H E - F 0 58B 7 20,-3.8 20,-1.6 -2,-0.3 2,-0.5 -0.767 40.2-162.6 -86.6 135.6 6.6 -2.4 7.8 39 409 A A E -DF 32 57B 0 -7,-2.4 -7,-1.4 -2,-0.4 2,-0.7 -0.916 12.6-172.7-130.7 109.9 9.4 -0.4 9.5 40 410 A L E -DF 31 56B 2 16,-3.2 16,-2.2 -2,-0.5 2,-0.5 -0.869 7.7-167.5-103.5 110.9 12.6 0.5 7.7 41 411 A Q E -DF 30 55B 0 -11,-2.3 -11,-2.1 -2,-0.7 2,-0.6 -0.855 3.6-169.3 -98.7 123.8 15.2 2.1 10.0 42 412 A I E -DF 29 54B 1 12,-2.2 11,-1.5 -2,-0.5 12,-1.3 -0.969 14.6-176.4-112.9 115.8 18.2 3.7 8.3 43 413 A I E -DF 28 52B 0 -15,-3.3 -15,-1.9 -2,-0.6 2,-0.7 -0.795 27.7-129.7-112.9 155.4 20.9 4.6 10.8 44 414 A D E +DF 27 51B 1 7,-3.0 7,-1.4 -2,-0.3 -17,-0.2 -0.916 24.2 178.4-104.8 112.1 24.2 6.4 10.5 45 415 A I + 0 0 1 -19,-1.6 138,-0.7 -2,-0.7 -18,-0.1 0.358 50.5 98.0 -97.0 5.1 26.9 4.2 12.1 46 416 A T S S+ 0 0 11 -20,-0.5 137,-0.2 136,-0.2 4,-0.1 0.888 78.9 32.8 -55.1-109.9 29.9 6.4 11.4 47 417 A E S S- 0 0 97 1,-0.2 -1,-0.1 2,-0.2 -3,-0.1 -0.333 97.4-108.7 -51.8 124.0 30.9 8.6 14.4 48 418 A F S S+ 0 0 121 1,-0.1 2,-0.7 -2,-0.1 -1,-0.2 0.380 110.1 90.5 -56.9 12.2 30.1 6.6 17.5 49 419 A P S S- 0 0 57 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 -0.963 79.1-156.0 -86.7 103.7 27.4 9.1 17.8 50 420 A Y E -g 139 0B 22 88,-1.5 90,-1.9 -2,-0.7 2,-0.4 -0.527 7.7-159.2 -81.4 149.9 24.8 7.2 15.8 51 421 A K E -gF 140 44B 59 -7,-1.4 -7,-3.0 -2,-0.2 2,-0.9 -0.995 18.9-141.2-135.4 132.8 22.0 8.9 14.0 52 422 A Q E + F 0 43B 0 88,-2.4 -9,-0.2 -2,-0.4 3,-0.1 -0.832 31.2 169.8 -88.0 107.6 18.6 7.7 12.7 53 423 A V E + 0 0 0 -11,-1.5 -35,-4.1 -2,-0.9 -34,-1.6 0.731 56.9 13.5 -95.5 -24.4 18.4 9.7 9.5 54 424 A A E -CF 17 42B 0 -12,-1.3 -12,-2.2 -37,-0.3 2,-0.3 -0.992 56.3-167.2-151.1 152.9 15.4 8.1 7.7 55 425 A V E -CF 16 41B 1 -39,-2.8 -39,-4.0 -2,-0.3 2,-0.6 -0.998 9.7-155.1-142.5 136.8 12.5 5.8 8.5 56 426 A Y E +CF 15 40B 9 -16,-2.2 -16,-3.2 -2,-0.3 2,-0.4 -0.973 23.9 173.1-114.2 121.7 10.0 4.0 6.3 57 427 A H E + F 0 39B 25 -43,-2.9 2,-0.3 -2,-0.6 -18,-0.2 -0.993 10.5 133.8-134.0 128.7 6.7 3.3 8.1 58 428 A S E - F 0 38B 12 -20,-1.6 -20,-3.8 -2,-0.4 -2,-0.0 -0.929 35.8-168.5-172.4 143.7 3.5 1.9 6.6 59 429 A N S S+ 0 0 82 -22,-0.3 -22,-0.0 -2,-0.3 -1,-0.0 -0.060 89.7 62.0-122.9 28.0 0.8 -0.7 7.2 60 430 A T S S+ 0 0 115 -22,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.331 71.4 102.2-135.7 3.5 -0.6 -0.3 3.7 61 431 A T S S- 0 0 28 -23,-0.0 2,-0.4 2,-0.0 -27,-0.1 -0.766 73.1-117.8 -95.0 141.5 2.0 -1.3 1.3 62 432 A S >> - 0 0 54 -2,-0.4 3,-2.2 1,-0.2 4,-1.6 -0.623 15.5-132.3 -75.5 126.3 1.8 -4.8 -0.3 63 433 A H T 34 S+ 0 0 67 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.710 106.9 71.3 -52.1 -13.9 4.8 -6.9 0.6 64 434 A F T 34 S+ 0 0 161 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.908 107.5 29.9 -67.6 -42.0 4.8 -7.5 -3.1 65 435 A I T X> S+ 0 0 83 -3,-2.2 3,-1.5 1,-0.1 4,-1.3 0.631 96.2 92.8 -93.8 -15.7 6.0 -4.0 -3.9 66 436 A L H 3X S+ 0 0 0 -4,-1.6 4,-3.3 1,-0.3 5,-0.3 0.824 75.9 62.3 -46.8 -46.9 8.0 -3.3 -0.7 67 437 A P H 3> S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.836 104.0 51.3 -51.4 -34.4 11.4 -4.5 -2.2 68 438 A D H <> S+ 0 0 76 -3,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.934 111.1 47.0 -68.3 -46.0 11.1 -1.7 -4.7 69 439 A I H X S+ 0 0 20 -4,-1.3 4,-1.8 2,-0.2 5,-0.2 0.949 116.1 43.9 -59.6 -52.1 10.4 0.8 -1.8 70 440 A V H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.958 111.8 54.1 -58.3 -52.0 13.3 -0.6 0.2 71 441 A F H X S+ 0 0 67 -4,-3.0 4,-2.9 -5,-0.3 5,-0.3 0.897 105.3 54.9 -48.2 -48.6 15.6 -0.7 -2.9 72 442 A K H X S+ 0 0 103 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.942 114.4 38.0 -52.5 -53.9 14.9 3.0 -3.5 73 443 A Y H X S+ 0 0 12 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.800 114.2 54.4 -71.9 -30.9 15.9 4.2 -0.1 74 444 A L H < S+ 0 0 0 -4,-2.8 6,-2.2 -5,-0.2 3,-0.4 0.942 112.7 43.2 -68.5 -44.5 18.9 1.7 0.2 75 445 A M H >X S+ 0 0 82 -4,-2.9 4,-1.0 -5,-0.3 3,-0.6 0.936 108.3 60.6 -63.7 -44.0 20.3 3.0 -3.1 76 446 A M H 3< S+ 0 0 79 -4,-2.3 2,-0.6 -5,-0.3 -1,-0.2 0.794 100.7 56.7 -51.8 -34.6 19.6 6.6 -2.0 77 447 A Y T 3< S- 0 0 0 -4,-1.3 -50,-0.4 -3,-0.4 -1,-0.3 -0.420 131.3 -72.7-102.4 58.2 21.8 6.2 1.0 78 448 A N T <4 S- 0 0 58 -3,-0.6 -51,-0.2 -2,-0.6 -2,-0.2 0.973 91.4 -52.4 57.8 65.8 25.2 5.2 -0.5 79 449 A E S < S- 0 0 94 -4,-1.0 -4,-0.2 1,-0.1 -1,-0.2 0.896 84.9-151.6 35.7 60.8 24.5 1.6 -1.5 80 450 A C - 0 0 0 -6,-2.2 2,-0.2 -7,-0.1 -1,-0.1 -0.379 8.1-121.4 -69.3 134.3 23.3 1.0 2.0 81 451 A P - 0 0 12 0, 0.0 -52,-2.1 0, 0.0 2,-0.4 -0.502 28.9-148.9 -71.7 142.3 23.6 -2.5 3.6 82 452 A V E -eh 29 106B 0 23,-1.9 25,-2.5 -54,-0.2 2,-0.7 -0.957 12.4-162.1-122.8 132.7 20.3 -4.0 4.8 83 453 A Y E -e 30 0B 0 -54,-3.7 -52,-1.9 -2,-0.4 2,-0.4 -0.869 15.3-167.6-114.7 101.3 19.5 -6.3 7.7 84 454 A I E -e 31 0B 0 -2,-0.7 32,-2.5 23,-0.4 2,-0.3 -0.725 19.8-130.6 -92.1 126.5 16.1 -8.1 7.3 85 455 A E B -i 116 0C 8 -54,-2.3 2,-1.4 -2,-0.4 -52,-0.3 -0.582 26.5-127.4 -73.5 137.5 14.5 -10.0 10.2 86 456 A L + 0 0 17 30,-3.2 32,-0.5 -2,-0.3 -1,-0.1 -0.439 51.0 145.1 -90.9 65.5 13.4 -13.3 8.8 87 457 A N S > S- 0 0 22 -2,-1.4 4,-1.9 30,-0.1 -53,-0.1 -0.340 75.1 -76.7 -85.7 177.7 9.8 -13.7 9.7 88 458 A S T 4 S+ 0 0 115 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.759 137.1 35.9 -46.0 -29.8 7.4 -15.4 7.3 89 459 A T T > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.1 3,-0.3 0.804 106.0 64.4 -95.3 -36.2 7.4 -12.3 5.1 90 460 A G H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.866 98.0 60.2 -55.2 -36.1 11.0 -11.1 5.5 91 461 A V H X S+ 0 0 83 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.938 109.3 40.2 -58.4 -48.5 12.1 -14.3 3.8 92 462 A S H > S+ 0 0 61 -4,-0.5 4,-2.3 -3,-0.3 -2,-0.2 0.926 117.1 49.4 -67.4 -44.0 10.2 -13.5 0.6 93 463 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.945 109.9 50.9 -59.0 -51.0 11.2 -9.8 0.8 94 464 A A H X S+ 0 0 0 -4,-3.6 4,-0.8 1,-0.2 -1,-0.2 0.812 110.5 50.5 -59.0 -30.1 14.8 -10.6 1.3 95 465 A K H X S+ 0 0 133 -4,-1.3 4,-3.9 -5,-0.3 3,-0.4 0.933 110.5 47.1 -74.6 -44.3 14.7 -12.9 -1.7 96 466 A S H <>S+ 0 0 19 -4,-2.3 5,-2.9 1,-0.3 6,-0.4 0.948 108.2 56.4 -58.6 -49.8 13.1 -10.4 -4.1 97 467 A L H <5S+ 0 0 0 -4,-2.8 6,-2.5 3,-0.2 -1,-0.3 0.805 119.1 33.8 -52.2 -31.0 15.6 -7.8 -2.9 98 468 A A H <5S+ 0 0 34 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.895 131.3 24.6 -93.8 -50.5 18.3 -10.3 -4.0 99 469 A M T ><5S+ 0 0 128 -4,-3.9 3,-1.1 3,-0.1 -3,-0.2 0.961 129.8 34.5 -75.9 -78.2 16.9 -12.1 -7.1 100 470 A D T 3 5S+ 0 0 112 1,-0.3 -3,-0.2 -5,-0.3 -4,-0.1 0.856 132.9 27.9 -44.4 -56.3 14.3 -9.7 -8.6 101 471 A L T 3 - 0 0 39 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.911 54.5-126.8-169.0 141.3 15.2 -16.9 17.6 120 490 A K H > S+ 0 0 196 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.911 113.9 59.1 -57.7 -37.9 14.1 -16.1 21.1 121 491 A R H > S+ 0 0 167 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 105.3 44.2 -55.9 -51.7 17.8 -15.7 21.8 122 492 A S H > S+ 0 0 1 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.891 111.9 51.0 -64.9 -46.4 18.4 -12.9 19.2 123 493 A K H X S+ 0 0 99 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.987 116.1 42.2 -55.0 -60.7 15.4 -10.8 20.0 124 494 A A H >X S+ 0 0 56 -4,-2.1 4,-1.6 1,-0.3 3,-0.7 0.970 116.0 46.5 -48.8 -71.8 16.2 -10.8 23.7 125 495 A M H 3X S+ 0 0 92 -4,-2.5 4,-1.7 1,-0.3 -1,-0.3 0.806 113.7 53.4 -40.3 -38.0 19.9 -10.3 23.2 126 496 A G H 3X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.3 0.919 102.6 54.4 -66.1 -48.3 19.0 -7.5 20.8 127 497 A C H XX S+ 0 0 22 -4,-2.7 4,-2.7 -3,-0.7 3,-0.9 0.948 108.5 49.8 -50.1 -57.2 16.6 -5.6 23.2 128 498 A S H 3X S+ 0 0 75 -4,-1.6 4,-1.6 1,-0.3 -1,-0.2 0.914 108.2 53.4 -48.1 -49.9 19.4 -5.4 25.7 129 499 A A H 3< S+ 0 0 19 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.796 110.9 47.3 -59.5 -29.7 21.8 -4.1 23.1 130 500 A L H XX S+ 0 0 3 -4,-1.7 3,-2.9 -3,-0.9 4,-1.8 0.960 104.6 59.3 -75.2 -51.8 19.3 -1.4 22.2 131 501 A K H 3X S+ 0 0 70 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.794 109.3 44.7 -43.3 -38.5 18.7 -0.4 25.9 132 502 A D H 3< S+ 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 4,-0.3 0.497 108.0 58.4 -89.5 -4.4 22.4 0.4 26.3 133 503 A L H <4>S+ 0 0 15 -3,-2.9 5,-2.6 -4,-0.2 6,-1.3 0.791 115.4 33.0 -91.4 -33.1 22.6 2.3 23.0 134 504 A I H ><5S+ 0 0 21 -4,-1.8 3,-2.8 4,-0.3 5,-0.2 0.930 117.0 52.1 -85.1 -55.4 19.9 4.9 23.8 135 505 A E T 3<5S+ 0 0 143 -4,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.742 110.5 49.0 -55.5 -29.1 20.4 5.2 27.6 136 506 A K T 3 5S- 0 0 102 -4,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.321 118.8-116.0 -92.1 8.3 24.1 5.9 27.1 137 507 A D T < 5S+ 0 0 142 -3,-2.8 -3,-0.2 2,-0.1 -2,-0.2 0.931 79.5 129.9 55.8 46.9 23.0 8.4 24.5 138 508 A K < + 0 0 44 -5,-2.6 -88,-1.5 1,-0.2 2,-0.4 0.499 61.4 51.2-105.2 -12.8 24.8 6.3 21.9 139 509 A L E S-g 50 0B 5 -6,-1.3 2,-0.7 -5,-0.2 -1,-0.2 -0.980 73.4-150.7-129.6 119.3 21.9 6.2 19.5 140 510 A I E -g 51 0B 75 -90,-1.9 -88,-2.4 -2,-0.4 2,-0.3 -0.814 12.6-167.2 -95.9 112.7 20.1 9.4 18.4 141 511 A I + 0 0 8 -2,-0.7 -136,-0.3 -90,-0.2 -88,-0.1 -0.735 16.7 168.8 -95.5 142.4 16.5 8.9 17.5 142 512 A N + 0 0 30 -2,-0.3 -135,-2.5 -136,-0.1 2,-0.3 0.528 43.4 103.0-127.7 -15.1 14.6 11.6 15.6 143 513 A H > - 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0 0 86 1,-0.1 -7,-0.1 -123,-0.0 4,-0.0 -0.847 360.0-173.9-117.2 154.2 9.4 36.9 -1.5 354 538 B D > + 0 0 72 -2,-0.3 4,-3.0 2,-0.1 5,-0.3 0.259 51.7 109.9-130.2 12.1 12.6 37.7 0.3 355 539 B D H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.907 80.1 48.2 -54.6 -53.7 11.6 38.0 4.0 356 540 B L H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.836 117.2 46.2 -58.1 -33.6 13.3 34.8 5.2 357 541 B V H > S+ 0 0 0 2,-0.2 4,-1.4 -3,-0.2 3,-0.3 0.867 105.9 54.9 -77.4 -42.9 16.4 35.9 3.4 358 542 B M H X S+ 0 0 17 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.849 105.6 58.6 -59.5 -28.9 16.4 39.5 4.6 359 543 B S H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.3 0.875 103.6 48.2 -67.9 -39.0 16.3 37.9 8.0 360 544 B L H X S+ 0 0 0 -4,-0.8 4,-1.5 -3,-0.3 -1,-0.2 0.708 108.9 56.2 -74.5 -18.7 19.6 36.0 7.4 361 545 B V H X S+ 0 0 3 -4,-1.4 4,-3.1 2,-0.3 -2,-0.2 0.875 103.5 51.3 -78.8 -37.7 21.0 39.3 6.1 362 546 B I H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.944 111.8 49.6 -60.4 -43.0 20.2 41.0 9.4 363 547 B F H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.3 0.886 108.6 52.9 -61.4 -36.8 22.0 38.0 10.9 364 548 B G H >X S+ 0 0 0 -4,-1.5 4,-0.8 1,-0.2 3,-0.5 0.953 106.6 50.6 -62.9 -49.0 24.8 38.7 8.5 365 549 B W H 3X S+ 0 0 34 -4,-3.1 4,-0.9 1,-0.2 3,-0.4 0.827 110.3 52.8 -57.6 -31.6 25.1 42.3 9.6 366 550 B L H 3< S+ 0 0 0 -4,-1.7 6,-0.3 -5,-0.2 -1,-0.2 0.809 97.4 63.6 -76.6 -30.1 25.3 41.1 13.1 367 551 B T H << S+ 0 0 30 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.748 105.5 46.5 -66.5 -22.5 28.1 38.6 12.6 368 552 B T H < S+ 0 0 73 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.762 89.3 101.7 -90.0 -29.3 30.5 41.4 11.7 369 553 B Q S < S- 0 0 31 -4,-0.9 3,-0.5 1,-0.1 4,-0.2 -0.154 77.3-126.7 -56.1 151.1 29.6 43.7 14.6 370 554 B E S > S+ 0 0 175 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.833 107.0 62.0 -69.7 -33.1 32.0 43.7 17.5 371 555 B K T >> S+ 0 0 62 1,-0.3 3,-2.6 2,-0.2 4,-1.0 0.768 85.0 74.6 -66.0 -25.0 29.3 43.0 20.0 372 556 B F H 3> S+ 0 0 12 -3,-0.5 4,-1.9 -6,-0.3 -1,-0.3 0.747 81.1 74.4 -59.2 -19.1 28.6 39.6 18.3 373 557 B A H <4 S+ 0 0 68 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.806 100.3 43.5 -61.8 -28.1 31.8 38.7 20.1 374 558 B E H <4 S+ 0 0 136 -3,-2.6 -2,-0.2 -4,-0.2 -1,-0.1 0.977 113.4 43.3 -79.9 -69.1 29.7 38.6 23.3 375 559 B Y H < S+ 0 0 58 -4,-1.0 -2,-0.2 -101,-0.0 -3,-0.1 0.790 110.6 72.0 -47.8 -33.0 26.4 36.8 22.3 376 560 B A < 0 0 19 -4,-1.9 -136,-0.1 -5,-0.3 -156,-0.1 -0.429 360.0 360.0 -82.2 161.5 28.6 34.3 20.4 377 561 B G 0 0 79 -138,-0.7 -137,-0.2 -158,-0.1 -136,-0.2 0.615 360.0 360.0 127.6 360.0 30.8 31.8 22.3