==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-11 2YHY . COMPND 2 MOLECULE: BIFUNCTIONAL UDP-N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MARTINEZ,L.D.NGUYEN,E.TAUBERGER,S.HINDERLICH,W.REUTTER,H.F . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 1 0 0 1 1 0 1 0 2 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 0 0 1 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 . 2 2 1 0 0 1 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 . 0 1 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 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 1 405 A G 0 0 77 0, 0.0 2,-0.5 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 154.8 24.2 27.2 24.5 2 406 A T E -a 61 0A 73 58,-2.3 60,-2.7 57,-0.2 2,-0.2 -0.697 360.0-119.2 -73.7 124.1 21.0 27.3 26.4 3 407 A L E +a 62 0A 66 -2,-0.5 19,-1.6 58,-0.2 2,-0.3 -0.510 53.1 160.3 -67.0 131.6 18.8 24.7 24.7 4 408 A S E -aB 63 21A 0 58,-2.5 60,-2.8 17,-0.2 2,-0.3 -0.915 34.0-133.3-148.6 172.4 15.8 26.6 23.4 5 409 A A E - B 0 20A 0 15,-2.6 15,-2.7 -2,-0.3 2,-0.5 -0.938 18.5-127.4-128.5 151.8 13.0 26.7 21.0 6 410 A L E -aB 66 19A 0 59,-2.4 61,-2.6 -2,-0.3 2,-0.4 -0.864 32.7-166.4 -92.4 133.2 11.6 29.3 18.6 7 411 A A E -aB 67 18A 0 11,-2.8 11,-3.0 -2,-0.5 2,-0.4 -0.979 9.7-168.4-125.6 136.4 7.9 29.8 19.3 8 412 A V E -aB 68 17A 0 59,-2.5 61,-2.9 -2,-0.4 2,-0.4 -0.975 0.1-169.6-122.0 139.2 5.3 31.5 17.1 9 413 A D E -aB 69 16A 14 7,-3.0 7,-2.4 -2,-0.4 2,-0.6 -0.983 0.4-171.8-133.3 122.5 1.8 32.5 18.2 10 414 A L E +aB 70 15A 1 59,-2.4 61,-1.7 -2,-0.4 5,-0.2 -0.936 21.0 160.3-116.2 105.3 -0.8 33.7 15.7 11 415 A G - 0 0 13 3,-2.4 23,-0.1 -2,-0.6 -2,-0.0 -0.487 56.7 -76.8-112.7-170.6 -4.0 35.0 17.2 12 416 A G S S+ 0 0 30 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.627 124.3 6.8 -60.1 -19.7 -7.0 37.1 16.5 13 417 A T S S+ 0 0 58 1,-0.3 21,-2.5 19,-0.0 2,-0.3 0.660 120.9 46.4-126.8 -52.9 -4.9 40.3 17.0 14 418 A N E - C 0 33A 41 19,-0.3 -3,-2.4 17,-0.0 2,-0.5 -0.732 50.5-154.5-111.2 145.3 -1.2 39.8 17.6 15 419 A L E -BC 10 32A 0 17,-3.1 17,-2.5 -2,-0.3 2,-0.4 -0.999 26.6-177.3-113.0 120.4 1.6 37.7 15.9 16 420 A R E -BC 9 31A 61 -7,-2.4 -7,-3.0 -2,-0.5 2,-0.4 -0.963 14.3-169.1-124.6 145.1 4.4 37.0 18.5 17 421 A V E +BC 8 30A 0 13,-2.0 13,-3.0 -2,-0.4 2,-0.3 -0.997 16.5 177.3-132.0 130.8 7.7 35.2 18.1 18 422 A A E -BC 7 29A 0 -11,-3.0 -11,-2.8 -2,-0.4 2,-0.6 -0.957 34.9-131.8-138.5 153.6 9.9 34.2 21.0 19 423 A I E -BC 6 28A 0 9,-2.3 8,-2.6 -2,-0.3 9,-1.2 -0.936 36.5-171.0 -94.2 123.1 13.0 32.4 22.0 20 424 A V E -BC 5 26A 0 -15,-2.7 -15,-2.6 -2,-0.6 6,-0.2 -0.973 14.3-133.9-123.3 131.4 12.0 30.1 24.9 21 425 A S E > -B 4 0A 3 4,-3.0 3,-2.2 -2,-0.4 -17,-0.2 -0.306 30.9-104.5 -77.5 168.6 14.4 28.1 27.1 22 426 A M T 3 S+ 0 0 69 -19,-1.6 -18,-0.1 1,-0.3 -1,-0.1 0.662 122.3 57.0 -71.1 -11.3 13.9 24.5 28.0 23 427 A K T 3 S- 0 0 166 2,-0.1 -1,-0.3 101,-0.0 -19,-0.1 0.368 123.8-101.7 -94.0 1.4 12.8 25.6 31.4 24 428 A G S < S+ 0 0 20 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.707 71.9 145.6 85.9 20.5 10.0 27.7 30.0 25 429 A E - 0 0 106 274,-0.0 -4,-3.0 1,-0.0 2,-0.9 -0.796 49.3-133.0 -86.7 130.0 11.7 31.2 30.3 26 430 A I E -C 20 0A 54 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.2 -0.757 25.0-177.1 -81.7 109.5 10.8 33.6 27.6 27 431 A V E - 0 0 60 -8,-2.6 2,-0.3 -2,-0.9 -1,-0.2 0.913 67.7 -8.0 -75.9 -43.8 14.2 34.9 26.7 28 432 A K E -C 19 0A 86 -9,-1.2 -9,-2.3 -3,-0.1 2,-0.4 -0.971 64.2-163.0-156.4 140.7 13.1 37.4 24.1 29 433 A K E -C 18 0A 92 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.999 2.5-161.5-135.3 131.8 9.7 38.2 22.5 30 434 A Y E -C 17 0A 43 -13,-3.0 -13,-2.0 -2,-0.4 2,-0.4 -0.890 12.5-164.7-108.7 139.7 8.8 40.1 19.4 31 435 A T E +C 16 0A 60 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.986 17.6 153.4-132.3 131.5 5.3 41.4 18.8 32 436 A Q E -C 15 0A 103 -17,-2.5 -17,-3.1 -2,-0.4 2,-0.2 -0.942 50.1 -87.8-139.3 167.2 3.5 42.7 15.7 33 437 A F E -C 14 0A 153 -2,-0.3 -19,-0.3 -19,-0.2 -20,-0.0 -0.545 47.7-109.0 -68.9 143.2 -0.1 42.8 14.6 34 438 A N - 0 0 14 -21,-2.5 7,-0.1 -2,-0.2 -1,-0.1 -0.671 41.7-123.4 -69.6 112.0 -1.2 39.7 12.8 35 439 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.174 9.9-128.3 -58.4 164.6 -1.5 41.0 9.2 36 440 A K S S+ 0 0 172 52,-0.1 2,-0.3 -3,-0.0 53,-0.1 0.547 82.8 61.6 -97.2 -6.6 -4.9 40.5 7.5 37 441 A T S > S- 0 0 44 1,-0.1 4,-2.3 51,-0.0 5,-0.2 -0.863 79.1-124.0-118.0 158.0 -3.7 38.8 4.3 38 442 A Y H > S+ 0 0 81 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.914 107.8 50.4 -63.5 -50.9 -1.9 35.6 3.6 39 443 A E H > S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 115.1 43.2 -59.8 -43.2 1.1 37.0 1.7 40 444 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 115.2 49.9 -67.2 -40.6 1.8 39.6 4.3 41 445 A R H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.928 110.8 46.2 -66.1 -48.2 1.4 37.2 7.1 42 446 A I H X S+ 0 0 13 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.932 114.3 50.1 -61.9 -41.9 3.6 34.4 5.8 43 447 A N H X S+ 0 0 80 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.921 111.6 47.7 -63.3 -40.3 6.3 37.0 4.9 44 448 A L H X S+ 0 0 33 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.905 109.0 53.2 -70.8 -39.6 6.2 38.5 8.4 45 449 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.949 113.0 45.2 -55.4 -45.8 6.3 35.1 10.1 46 450 A L H X S+ 0 0 31 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.924 113.5 49.3 -66.8 -45.6 9.4 34.3 8.1 47 451 A Q H X S+ 0 0 124 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.959 113.4 45.3 -56.3 -54.7 11.0 37.7 8.8 48 452 A M H X S+ 0 0 15 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.874 113.5 49.8 -61.7 -39.2 10.4 37.6 12.5 49 453 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.890 111.0 49.1 -66.4 -41.5 11.6 34.0 12.7 50 454 A V H X S+ 0 0 71 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.929 113.9 46.4 -62.6 -44.9 14.9 34.8 10.8 51 455 A E H X S+ 0 0 102 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.919 113.2 49.0 -63.9 -44.0 15.5 37.8 13.0 52 456 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.894 109.6 52.5 -61.4 -38.4 14.8 35.8 16.2 53 457 A A H X S+ 0 0 29 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.883 109.8 48.4 -63.5 -39.6 17.1 33.0 15.0 54 458 A A H X S+ 0 0 47 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.888 112.0 48.9 -68.9 -38.9 19.9 35.5 14.5 55 459 A E H X S+ 0 0 44 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.875 102.7 62.8 -69.5 -34.3 19.4 37.1 17.9 56 460 A A H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 3,-0.4 0.930 101.5 51.2 -55.7 -45.6 19.4 33.7 19.5 57 461 A V H ><5S+ 0 0 114 -4,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.939 110.3 48.5 -56.4 -47.4 22.9 33.2 18.4 58 462 A K H 3<5S+ 0 0 160 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 113.1 48.3 -66.2 -23.0 23.9 36.6 19.9 59 463 A L T 3<5S- 0 0 73 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.242 116.0-115.7 -96.2 6.5 22.1 35.5 23.2 60 464 A N T < 5 + 0 0 111 -3,-1.6 -58,-2.3 -4,-0.2 2,-0.5 0.861 66.1 143.5 60.2 40.6 23.8 32.2 23.2 61 465 A C E < -a 2 0A 12 -5,-2.7 2,-0.8 -60,-0.2 -1,-0.2 -0.939 45.0-143.0-110.8 135.2 20.7 30.1 22.8 62 466 A R E -a 3 0A 160 -60,-2.7 -58,-2.5 -2,-0.5 2,-0.5 -0.875 17.7-144.2-100.5 109.4 20.8 27.0 20.7 63 467 A I E -a 4 0A 29 -2,-0.8 -58,-0.2 -60,-0.2 3,-0.1 -0.651 17.4-175.3 -80.2 124.3 17.5 26.7 18.8 64 468 A L E - 0 0 25 -60,-2.8 2,-0.3 -2,-0.5 -59,-0.2 0.569 60.2 -43.0 -96.9 -6.9 16.3 23.1 18.4 65 469 A G E - 0 0 0 -61,-0.3 -59,-2.4 41,-0.1 2,-0.4 -0.963 59.1 -88.8 161.1 177.6 13.3 23.7 16.3 66 470 A V E -ad 6 108A 0 41,-2.5 43,-2.5 -2,-0.3 2,-0.4 -0.978 26.5-165.9-125.5 129.3 10.2 25.9 15.7 67 471 A G E -ad 7 109A 0 -61,-2.6 -59,-2.5 -2,-0.4 2,-0.5 -0.967 7.8-156.5-114.1 137.6 6.8 25.5 17.2 68 472 A I E -ad 8 110A 1 41,-2.8 43,-2.4 -2,-0.4 2,-0.5 -0.949 7.6-168.8-122.9 123.9 3.8 27.3 15.8 69 473 A S E +ad 9 111A 0 -61,-2.9 -59,-2.4 -2,-0.5 2,-0.3 -0.932 23.5 166.7-100.3 126.1 0.6 28.0 17.7 70 474 A T E -ad 10 112A 0 41,-2.0 43,-1.4 -2,-0.5 44,-0.2 -0.999 39.9-114.4-143.6 143.6 -2.2 29.3 15.5 71 475 A G S S+ 0 0 13 -61,-1.7 2,-0.1 -2,-0.3 72,-0.0 -0.333 79.7 59.8 -56.8 151.7 -6.0 29.9 15.6 72 476 A G S S- 0 0 6 9,-0.1 2,-0.5 2,-0.1 12,-0.2 -0.303 97.7 -59.2 112.2 164.8 -7.7 27.5 13.2 73 477 A R E -E 83 0B 30 10,-2.8 9,-2.5 -2,-0.1 10,-1.1 -0.756 61.8-168.4 -80.0 129.4 -8.1 23.8 12.6 74 478 A V E -E 81 0B 3 84,-0.5 7,-0.2 -2,-0.5 38,-0.2 -0.964 30.1-144.3-130.4 139.8 -4.7 22.2 12.1 75 479 A N E >> -E 80 0B 22 5,-2.8 5,-1.7 -2,-0.4 4,-1.4 -0.879 20.6-173.7 -93.1 97.9 -3.2 18.9 11.0 76 480 A P T 45S+ 0 0 26 0, 0.0 34,-0.4 0, 0.0 -1,-0.2 0.803 78.0 61.1 -69.6 -27.6 -0.1 18.7 13.2 77 481 A R T 45S+ 0 0 194 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.877 118.7 27.8 -65.1 -39.2 1.2 15.6 11.5 78 482 A E T 45S- 0 0 114 -3,-0.3 19,-0.2 2,-0.1 -1,-0.2 0.546 104.5-123.8 -99.6 -11.3 1.5 17.4 8.2 79 483 A G T <5 + 0 0 0 -4,-1.4 17,-2.2 1,-0.2 18,-1.5 0.864 62.1 142.6 73.2 40.4 2.0 21.0 9.6 80 484 A I E < -EF 75 95B 49 -5,-1.7 -5,-2.8 15,-0.2 2,-0.7 -0.953 52.5-139.0-117.5 131.4 -1.0 22.3 7.6 81 485 A V E -EF 74 94B 0 13,-3.3 13,-2.4 -2,-0.4 12,-0.5 -0.796 25.1-173.8 -83.0 114.7 -3.5 24.9 8.7 82 486 A L E - 0 0 58 -9,-2.5 11,-1.2 -2,-0.7 2,-0.3 0.950 56.0 -11.1 -81.2 -50.2 -6.7 23.4 7.4 83 487 A H E -E 73 0B 97 -10,-1.1 -10,-2.8 9,-0.2 2,-0.4 -0.988 57.5-164.6-157.7 138.2 -9.5 26.0 8.0 84 488 A S - 0 0 18 -2,-0.3 7,-0.2 -12,-0.2 6,-0.1 -0.982 21.5-124.2-127.5 147.1 -9.8 29.2 10.0 85 489 A T > - 0 0 21 -2,-0.4 3,-2.1 1,-0.1 92,-0.1 -0.309 51.8 -88.6 -70.0 168.7 -12.7 31.4 11.1 86 490 A K T 3 S+ 0 0 134 90,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.527 114.0 89.8 -62.9 -7.3 -12.5 35.0 10.0 87 491 A L T 3 S+ 0 0 44 1,-0.3 2,-0.4 89,-0.0 -1,-0.3 0.820 104.0 29.7 -57.2 -26.4 -10.5 35.9 13.0 88 492 A I S < S- 0 0 8 -3,-2.1 -1,-0.3 3,-0.1 3,-0.3 -0.881 92.6-156.3-132.2 101.1 -7.6 35.0 10.7 89 493 A Q S S+ 0 0 109 -2,-0.4 -4,-0.1 -3,-0.4 -3,-0.1 -0.367 71.5 21.3 -73.1 152.2 -8.5 35.7 7.1 90 494 A E S S+ 0 0 104 1,-0.1 -1,-0.2 -6,-0.1 2,-0.0 0.959 85.7 124.4 58.0 56.7 -6.8 33.9 4.2 91 495 A W + 0 0 4 -3,-0.3 2,-0.4 -7,-0.2 -1,-0.1 -0.517 30.8 120.9-150.5 66.6 -5.6 31.0 6.4 92 496 A N S S- 0 0 86 -9,-0.2 -9,-0.2 1,-0.1 -10,-0.2 -0.998 76.9 -1.1-140.7 128.7 -7.0 27.9 4.7 93 497 A S S S+ 0 0 90 -11,-1.2 2,-0.6 -12,-0.5 -11,-0.2 0.904 86.0 163.3 55.2 46.2 -5.0 24.9 3.4 94 498 A V E -F 81 0B 9 -13,-2.4 -13,-3.3 -3,-0.1 2,-0.9 -0.893 35.1-148.1-103.8 118.7 -1.8 26.5 4.3 95 499 A D E +F 80 0B 60 -2,-0.6 -15,-0.2 -15,-0.2 -16,-0.1 -0.733 24.7 168.0 -81.0 108.1 1.4 24.4 4.6 96 500 A L > + 0 0 0 -17,-2.2 4,-1.6 -2,-0.9 5,-0.3 0.750 66.7 63.6 -89.5 -30.0 3.5 26.1 7.3 97 501 A R H > S+ 0 0 67 -18,-1.5 4,-2.7 -19,-0.2 5,-0.3 0.933 99.3 52.6 -62.1 -45.9 6.1 23.4 7.7 98 502 A T H > S+ 0 0 63 -19,-0.2 4,-2.8 2,-0.2 5,-0.2 0.952 112.0 40.4 -62.1 -52.6 7.5 23.6 4.3 99 503 A P H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.918 120.0 45.2 -67.0 -33.7 8.3 27.4 4.1 100 504 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.937 115.4 45.3 -74.2 -43.2 9.6 27.6 7.6 101 505 A S H X S+ 0 0 31 -4,-2.7 4,-2.0 -5,-0.3 5,-0.3 0.909 114.7 49.4 -71.1 -36.4 11.7 24.5 7.5 102 506 A D H < S+ 0 0 105 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.860 117.3 40.5 -65.3 -37.4 13.1 25.6 4.1 103 507 A T H < S+ 0 0 60 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.913 128.7 27.6 -77.8 -44.5 13.9 29.1 5.3 104 508 A L H < S- 0 0 24 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.608 92.0-131.8 -99.9 -11.4 15.3 28.3 8.8 105 509 A H < + 0 0 158 -4,-2.0 -4,-0.1 -5,-0.3 -3,-0.1 0.906 67.8 118.3 56.7 49.1 16.6 24.8 8.3 106 510 A L S S- 0 0 34 -5,-0.3 -1,-0.2 -6,-0.3 -2,-0.2 -0.951 72.6 -99.8-139.3 152.9 14.8 23.6 11.4 107 511 A P - 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0 0 41 20,-0.1 3,-0.8 0, 0.0 19,-0.1 -0.967 47.4 -61.7-147.9 157.0 -17.6 56.5 35.5 208 612 A E T 3 S+ 0 0 133 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.107 120.5 37.4 -50.0 128.7 -15.9 58.7 38.1 209 613 A G T 3 S+ 0 0 69 1,-0.4 2,-0.2 -3,-0.0 -1,-0.2 0.582 107.1 55.4 104.3 11.6 -12.3 57.6 38.3 210 614 A M < 0 0 42 -3,-0.8 -1,-0.4 12,-0.0 8,-0.0 -0.811 360.0 360.0-143.1-169.8 -11.2 56.7 34.7 211 615 A S 0 0 139 -2,-0.2 -5,-0.1 -3,-0.1 -3,-0.0 0.277 360.0 360.0-160.9 360.0 -11.2 58.6 31.3 212 ! 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 0.0 213 621 A A 0 0 138 0, 0.0 2,-0.2 0, 0.0 -16,-0.0 0.000 360.0 360.0 360.0 27.1 -9.0 52.9 22.1 214 622 A V + 0 0 26 3,-0.1 2,-0.2 4,-0.0 -17,-0.1 -0.465 360.0 154.7 -84.4 141.5 -11.8 51.2 24.1 215 623 A G >> - 0 0 13 -2,-0.2 4,-1.3 -19,-0.1 3,-0.5 -0.792 55.3 -71.3-148.5-171.0 -11.5 47.5 25.2 216 624 A A H 3> S+ 0 0 17 1,-0.2 4,-2.1 -2,-0.2 3,-0.3 0.897 120.4 58.1 -59.9 -41.1 -12.4 44.7 27.6 217 625 A L H 3> S+ 0 0 96 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.821 102.3 55.4 -66.2 -29.0 -10.4 46.1 30.5 218 626 A H H <> S+ 0 0 66 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.885 106.4 50.3 -62.7 -42.0 -12.4 49.3 30.4 219 627 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.943 113.7 45.7 -63.1 -41.8 -15.6 47.4 30.7 220 628 A I H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.917 112.8 49.7 -69.7 -44.1 -14.1 45.5 33.7 221 629 A Q H X S+ 0 0 91 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.917 111.0 50.0 -57.5 -45.5 -12.7 48.8 35.3 222 630 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 -1,-0.2 0.907 108.8 52.9 -63.0 -38.9 -16.1 50.4 34.9 223 631 A A H ><5S+ 0 0 12 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.914 107.3 50.3 -64.5 -44.9 -17.8 47.4 36.5 224 632 A K H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.5 55.3 -57.7 -34.4 -15.4 47.6 39.6 225 633 A L T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.111 129.8 -93.7 -89.8 22.8 -16.3 51.3 39.8 226 634 A G T < 5 + 0 0 49 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.633 65.5 158.1 84.1 15.6 -20.0 50.6 40.0 227 635 A N >< - 0 0 13 -5,-2.4 4,-2.4 1,-0.2 -1,-0.2 -0.658 26.1-160.0 -72.8 115.8 -21.2 50.9 36.3 228 636 A A H > S+ 0 0 73 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.881 88.5 49.6 -71.3 -40.4 -24.5 48.9 36.3 229 637 A K H > S+ 0 0 123 -25,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 112.7 48.9 -63.1 -41.5 -24.6 48.3 32.5 230 638 A A H > S+ 0 0 0 -26,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.916 110.7 49.9 -64.3 -45.7 -20.9 47.0 32.6 231 639 A Q H X S+ 0 0 72 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.917 111.1 49.8 -57.3 -45.6 -21.5 44.7 35.6 232 640 A S H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 110.9 48.5 -62.7 -44.7 -24.6 43.2 33.8 233 641 A I H X S+ 0 0 27 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.935 113.2 48.1 -60.5 -45.1 -22.6 42.6 30.6 234 642 A L H X S+ 0 0 26 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.891 109.8 51.6 -67.4 -38.5 -19.8 41.0 32.5 235 643 A R H X S+ 0 0 139 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.901 111.1 48.1 -57.3 -45.0 -22.2 38.7 34.5 236 644 A T H X S+ 0 0 73 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 114.3 47.5 -60.6 -45.9 -23.9 37.6 31.2 237 645 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 113.5 45.9 -60.8 -47.4 -20.5 36.9 29.7 238 646 A G H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.828 111.1 53.1 -69.0 -33.3 -19.2 35.0 32.7 239 647 A T H X S+ 0 0 46 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.940 108.9 50.2 -67.3 -45.4 -22.5 33.0 32.9 240 648 A A H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.944 111.5 46.8 -56.8 -48.7 -22.1 32.0 29.3 241 649 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.931 110.9 54.3 -57.0 -43.9 -18.5 30.9 29.9 242 650 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.866 106.9 49.9 -56.4 -42.8 -19.6 29.0 33.0 243 651 A L H X S+ 0 0 42 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.827 107.3 54.9 -67.2 -36.7 -22.3 27.2 31.0 244 652 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.937 108.8 48.5 -55.7 -46.1 -19.6 26.2 28.5 245 653 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 107.2 54.8 -63.0 -44.3 -17.6 24.8 31.3 246 654 A V H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.930 107.2 52.0 -55.1 -42.9 -20.7 22.9 32.6 247 655 A N H X S+ 0 0 63 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.933 109.8 48.9 -58.5 -42.6 -20.9 21.3 29.1 248 656 A I H X>S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 5,-1.2 0.913 110.6 50.0 -61.9 -45.1 -17.3 20.3 29.3 249 657 A L H <5S+ 0 0 2 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.887 113.1 45.5 -59.6 -44.8 -17.8 18.8 32.8 250 658 A H H <5S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.638 121.1 40.9 -80.1 -9.7 -20.9 16.8 31.7 251 659 A T H <5S+ 0 0 113 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.916 136.3 7.7 -94.5 -67.1 -19.0 15.7 28.5 252 660 A M T <5S- 0 0 58 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.650 78.3-149.3 -86.9 -30.0 -15.4 14.9 29.6 253 661 A N < - 0 0 92 -5,-1.2 -4,-0.2 -4,-0.4 -3,-0.1 0.941 25.9-170.2 52.0 55.5 -15.6 15.2 33.4 254 662 A P - 0 0 4 0, 0.0 -121,-0.2 0, 0.0 -1,-0.1 -0.336 29.7-128.8 -68.9 162.1 -12.1 16.3 33.7 255 663 A S S S+ 0 0 53 -123,-1.1 32,-1.8 1,-0.2 2,-0.3 0.714 91.6 24.8 -78.3 -21.4 -10.3 16.6 37.2 256 664 A L E - j 0 287C 11 -124,-0.5 -122,-2.1 30,-0.2 2,-0.5 -0.997 58.7-160.5-150.7 135.7 -9.2 20.2 36.5 257 665 A V E -hj 134 288C 0 30,-2.4 32,-2.7 -2,-0.3 2,-0.6 -0.997 15.6-160.2-115.6 123.4 -10.3 23.1 34.3 258 666 A I E -hj 135 289C 0 -124,-2.7 -122,-2.1 -2,-0.5 2,-0.5 -0.924 0.7-160.6-107.6 120.6 -7.6 25.8 33.7 259 667 A L E +hj 136 290C 4 30,-3.1 32,-2.7 -2,-0.6 2,-0.2 -0.875 18.3 175.9 -98.4 130.0 -8.7 29.3 32.7 260 668 A S E +h 137 0C 3 -124,-2.2 -122,-2.6 -2,-0.5 3,-0.1 -0.786 29.7 68.2-134.9 171.6 -6.1 31.4 31.0 261 669 A G S > S- 0 0 30 -2,-0.2 3,-1.6 -124,-0.2 4,-0.4 -0.135 94.2 -74.2 91.7 159.9 -5.7 34.8 29.3 262 670 A V T > S+ 0 0 97 -124,-0.3 3,-0.7 1,-0.3 4,-0.4 0.848 130.7 60.0 -68.8 -25.5 -6.1 38.0 31.2 263 671 A L T >> S+ 0 0 9 -125,-0.3 4,-1.5 1,-0.2 3,-0.8 0.659 83.3 84.7 -69.9 -18.9 -9.8 37.7 31.4 264 672 A A H <> S+ 0 0 1 -3,-1.6 4,-2.1 1,-0.3 3,-0.3 0.896 86.9 52.7 -50.3 -40.6 -9.6 34.4 33.4 265 673 A S H <4 S+ 0 0 68 -3,-0.7 4,-0.4 -4,-0.4 -1,-0.3 0.795 109.4 49.4 -68.3 -30.7 -9.1 36.2 36.7 266 674 A H H <4 S+ 0 0 65 -3,-0.8 4,-0.3 -4,-0.4 -1,-0.2 0.749 117.7 38.9 -78.4 -26.8 -12.2 38.2 36.0 267 675 A Y H X S+ 0 0 4 -4,-1.5 4,-2.5 -3,-0.3 3,-0.3 0.689 88.7 88.8 -94.8 -19.3 -14.4 35.2 35.1 268 676 A I H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.864 88.4 48.9 -56.8 -38.7 -13.3 32.5 37.6 269 677 A H H > S+ 0 0 131 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.924 113.7 45.8 -70.2 -38.8 -15.7 33.4 40.4 270 678 A I H > S+ 0 0 34 -3,-0.3 4,-2.3 -4,-0.3 5,-0.2 0.930 112.0 52.0 -70.8 -37.0 -18.8 33.5 38.1 271 679 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.946 110.5 48.0 -61.2 -46.5 -17.7 30.3 36.4 272 680 A K H X S+ 0 0 80 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.879 111.3 51.4 -59.3 -41.8 -17.4 28.6 39.8 273 681 A D H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.883 109.0 49.9 -63.0 -41.3 -20.8 30.0 40.8 274 682 A V H X>S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 5,-0.5 0.920 111.7 48.7 -66.0 -41.9 -22.5 28.6 37.7 275 683 A I H X5S+ 0 0 7 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.947 112.5 48.5 -59.4 -49.3 -21.0 25.2 38.2 276 684 A R H <5S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 117.9 40.7 -51.7 -47.5 -22.2 25.3 41.8 277 685 A Q H <5S+ 0 0 139 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.649 131.9 15.6 -83.1 -20.9 -25.7 26.3 40.8 278 686 A Q H <5S+ 0 0 112 -4,-1.9 -3,-0.2 -3,-0.2 -2,-0.2 0.695 94.4 91.3-130.7 -28.6 -26.2 24.2 37.8 279 687 A A S < - 0 0 118 1,-0.1 3,-2.0 -34,-0.1 4,-0.3 -0.266 36.4-114.2 -65.6 153.3 -24.4 17.7 38.6 281 689 A S G > S+ 0 0 102 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.801 111.4 66.2 -60.8 -31.2 -23.2 16.9 42.1 282 690 A S G 3 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.612 102.7 46.4 -69.6 -11.1 -20.7 14.4 40.8 283 691 A V G X S+ 0 0 9 -3,-2.0 3,-1.8 1,-0.1 -1,-0.2 0.313 83.2 95.4-105.5 6.0 -18.7 17.2 39.1 284 692 A Q T < S+ 0 0 73 -3,-1.3 -2,-0.1 -4,-0.3 -1,-0.1 0.672 75.8 64.3 -70.1 -17.7 -18.7 19.5 42.0 285 693 A D T 3 S+ 0 0 120 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.314 76.2 122.6 -82.6 0.2 -15.3 18.2 43.1 286 694 A V < - 0 0 15 -3,-1.8 2,-0.5 -30,-0.1 -30,-0.2 -0.349 62.2-131.3 -64.4 136.0 -13.8 19.6 39.9 287 695 A D E -j 256 0C 100 -32,-1.8 -30,-2.4 -33,-0.1 2,-0.5 -0.877 21.0-168.8 -91.5 132.0 -10.9 22.1 40.4 288 696 A V E +j 257 0C 9 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.995 17.2 166.5-122.4 122.6 -11.2 25.3 38.5 289 697 A V E -j 258 0C 34 -32,-2.7 -30,-3.1 -2,-0.5 2,-0.4 -0.939 38.1-114.8-134.8 163.9 -8.1 27.5 38.5 290 698 A V E -j 259 0C 44 -2,-0.3 -30,-0.2 -32,-0.2 -32,-0.0 -0.828 47.6-102.6 -94.2 139.7 -6.6 30.4 36.8 291 699 A S - 0 0 18 -32,-2.7 -1,-0.1 -2,-0.4 -30,-0.1 -0.203 18.1-154.0 -58.2 139.9 -3.4 29.6 34.9 292 700 A D + 0 0 104 -171,-0.0 2,-0.4 -32,-0.0 -1,-0.1 0.356 66.7 100.4 -93.7 7.9 -0.1 30.5 36.5 293 701 A L - 0 0 31 1,-0.1 -2,-0.1 0, 0.0 -172,-0.0 -0.751 67.9-142.8 -96.9 140.0 1.6 30.8 33.1 294 702 A V S S+ 0 0 131 -2,-0.4 -1,-0.1 1,-0.2 -33,-0.1 0.891 92.1 6.6 -64.5 -39.3 2.2 34.1 31.4 295 703 A D > - 0 0 22 1,-0.1 4,-2.8 -34,-0.0 5,-0.3 -0.687 64.2-179.3-152.9 82.8 1.5 33.0 27.8 296 704 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -176,-0.2 0.863 81.8 52.0 -60.5 -38.6 0.3 29.4 27.5 297 705 A A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.948 113.6 42.0 -69.4 -41.8 0.0 29.4 23.7 298 706 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 117.0 48.0 -67.2 -42.3 3.5 30.6 23.1 299 707 A L H X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.866 111.7 51.4 -62.2 -35.6 4.9 28.3 25.9 300 708 A G H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.884 106.0 53.4 -74.5 -37.1 2.9 25.4 24.4 301 709 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.4 0.943 111.8 46.7 -58.4 -45.5 4.3 26.1 20.9 302 710 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.897 104.6 61.5 -60.6 -40.0 7.8 25.9 22.5 303 711 A S H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.827 96.7 59.2 -62.1 -30.0 6.8 22.7 24.4 304 712 A M H X S+ 0 0 9 -4,-1.5 4,-1.1 -3,-0.4 -1,-0.2 0.940 111.6 40.6 -64.0 -40.1 6.3 20.9 21.1 305 713 A V H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.5 -2,-0.2 0.930 116.4 49.4 -68.3 -48.7 9.9 21.5 20.1 306 714 A L H < S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.811 117.1 38.1 -66.4 -35.5 11.3 20.8 23.5 307 715 A D H < S+ 0 0 62 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.604 126.8 32.7 -86.4 -20.0 9.5 17.5 24.1 308 716 A Y H < 0 0 119 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.2 0.582 360.0 360.0-120.8 -8.0 9.8 16.1 20.5 309 717 A T < 0 0 88 -4,-2.2 -244,-0.1 -5,-0.2 -245,-0.0 -0.242 360.0 360.0 -75.0 360.0 13.0 17.4 18.9