==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-12 4B1G . COMPND 2 MOLECULE: POLY(ADP-RIBOSE) GLYCOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BRASSINGTON,J.ELLSTON,G.HASSALL,G.HOLDGATE,M.MCALISTER,R.O . 499 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 8.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 0 1 4 2 0 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 1 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 1 451 A K 0 0 98 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 33.8 -9.6 4.2 2 452 A K + 0 0 53 1,-0.3 263,-1.2 262,-0.1 264,-0.7 0.717 360.0 7.2 -94.3 -25.6 32.4 -7.7 7.2 3 453 A W E -A 264 0A 111 261,-0.2 2,-0.3 262,-0.1 -1,-0.3 -0.977 64.6-159.9-150.6 163.0 29.3 -6.3 5.5 4 454 A L E +A 263 0A 41 259,-2.7 259,-2.7 -2,-0.3 2,-0.3 -0.947 49.1 29.1-144.7 155.6 27.5 -6.7 2.2 5 455 A G E S+A 262 0A 34 -2,-0.3 257,-0.2 257,-0.2 3,-0.1 -0.713 104.0 7.0 99.6-147.4 25.0 -4.8 0.1 6 456 A T S S- 0 0 26 255,-2.6 -2,-0.1 -2,-0.3 5,-0.1 -0.553 87.4-101.6 -71.1 132.7 24.6 -1.1 -0.1 7 457 A P > - 0 0 40 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.238 24.8-128.7 -48.9 138.2 27.2 0.8 1.9 8 458 A I G > S+ 0 0 26 1,-0.3 3,-1.5 2,-0.2 254,-0.1 0.810 105.5 69.6 -66.2 -22.8 25.7 2.0 5.2 9 459 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.685 94.9 55.2 -65.6 -20.6 26.9 5.5 4.4 10 460 A E G < S+ 0 0 116 -3,-1.5 -1,-0.3 2,-0.1 2,-0.2 0.483 87.2 100.3 -93.5 -2.6 24.3 5.7 1.6 11 461 A X S < S- 0 0 6 -3,-1.5 2,-0.2 -4,-0.3 395,-0.1 -0.522 79.9-105.0 -84.8 150.4 21.4 4.9 3.9 12 462 A R + 0 0 74 393,-0.2 395,-2.1 -2,-0.2 2,-0.3 -0.510 43.0 174.4 -77.3 143.8 19.1 7.7 5.3 13 463 A R > - 0 0 54 393,-0.2 4,-2.8 -2,-0.2 5,-0.2 -0.975 25.3 -71.7-142.6 156.3 19.4 8.8 8.9 14 464 A X T 4 S+ 0 0 56 261,-2.8 339,-0.1 -2,-0.3 347,-0.0 -0.659 101.5 17.1 -86.3 150.2 18.0 11.4 11.2 15 465 A P T >4 S+ 0 0 47 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 -1.000 124.2 53.9 -89.1 -1.7 18.2 14.3 11.7 16 466 A R T 34 S+ 0 0 201 1,-0.3 -2,-0.2 0, 0.0 -4,-0.0 0.897 112.3 44.8 -57.1 -43.9 19.7 14.8 8.2 17 467 A C T 3< S+ 0 0 19 -4,-2.8 -1,-0.3 387,-0.0 2,-0.2 0.583 95.9 106.6 -75.9 -13.4 16.9 13.1 6.4 18 468 A G < - 0 0 30 -3,-1.2 2,-0.1 -5,-0.2 387,-0.1 -0.478 62.2-136.9 -84.0 135.2 14.1 14.7 8.4 19 469 A I - 0 0 67 -2,-0.2 2,-0.1 385,-0.2 -1,-0.1 -0.430 48.4 -81.8 -63.2 155.5 11.6 17.4 7.5 20 470 A R - 0 0 86 -2,-0.1 -1,-0.1 1,-0.1 335,-0.0 -0.362 49.0-115.7 -66.4 139.2 11.0 20.2 10.2 21 471 A L - 0 0 53 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.438 27.5-110.2 -70.3 146.8 8.6 19.2 12.9 22 472 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.306 55.9 -71.4 -63.8 165.0 5.3 21.0 13.3 23 473 A L - 0 0 163 1,-0.1 2,-0.4 334,-0.0 334,-0.1 -0.298 56.3-110.4 -53.2 134.9 5.0 23.2 16.3 24 474 A L + 0 0 19 332,-0.2 -1,-0.1 12,-0.1 8,-0.0 -0.620 54.9 156.4 -70.6 125.5 4.7 21.0 19.4 25 475 A R - 0 0 166 -2,-0.4 2,-0.1 -3,-0.1 0, 0.0 -0.991 42.3-111.3-152.6 142.0 1.2 21.4 20.8 26 476 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.459 43.7 158.1 -71.0 146.8 -1.2 19.4 23.0 27 477 A S B > -B 30 0A 42 3,-2.4 3,-1.6 -2,-0.1 5,-0.1 -0.904 58.2 -79.6-153.6 178.9 -4.3 17.9 21.3 28 478 A A T 3 S+ 0 0 102 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.770 132.7 36.9 -61.2 -29.5 -6.8 15.1 21.9 29 479 A N T 3 S+ 0 0 98 1,-0.2 138,-2.0 137,-0.1 2,-0.3 0.225 116.1 61.9-105.0 13.5 -4.4 12.5 20.5 30 480 A H E < -Bc 27 167A 21 -3,-1.6 -3,-2.4 136,-0.2 2,-0.5 -0.871 61.6-164.1-145.4 113.5 -1.3 14.1 22.0 31 481 A T E - c 0 168A 15 136,-3.1 138,-3.0 -2,-0.3 2,-0.5 -0.787 8.6-173.9 -92.6 127.8 -0.6 14.7 25.7 32 482 A V E - c 0 169A 4 -2,-0.5 138,-0.2 136,-0.2 4,-0.1 -0.981 8.6-171.2-129.1 117.3 2.2 17.2 26.3 33 483 A T + 0 0 3 136,-2.4 15,-1.8 -2,-0.5 121,-0.3 0.268 61.9 66.6 -97.8 10.8 3.2 17.6 29.9 34 484 A I B S-K 47 0B 5 13,-0.3 2,-0.9 135,-0.2 3,-0.1 -0.798 93.3 -91.7-127.6 161.7 5.5 20.6 29.6 35 485 A R > - 0 0 70 11,-2.8 3,-0.8 -2,-0.3 11,-0.3 -0.705 34.9-167.9 -74.3 106.4 5.1 24.3 28.7 36 486 A V G > S+ 0 0 49 -2,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.828 83.9 59.7 -69.3 -31.3 5.7 24.3 25.0 37 487 A D G 3 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.704 110.3 43.8 -68.6 -18.8 6.0 28.1 24.9 38 488 A L G < S+ 0 0 65 -3,-0.8 2,-0.5 8,-0.1 -1,-0.2 0.302 79.6 126.2-109.3 5.6 9.0 27.9 27.2 39 489 A L < + 0 0 23 -3,-1.0 2,-0.3 -4,-0.2 5,-0.1 -0.552 33.5 163.9 -70.5 117.3 10.8 24.9 25.6 40 490 A R > - 0 0 132 -2,-0.5 3,-2.0 3,-0.3 -2,-0.0 -0.999 44.1 -96.4-138.4 141.4 14.4 26.0 24.9 41 491 A A T 3 S+ 0 0 70 -2,-0.3 3,-0.1 1,-0.2 195,-0.1 -0.201 109.5 12.1 -50.2 133.0 17.6 24.1 24.1 42 492 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 193,-0.1 -1,-0.2 0.472 104.4 106.6 81.1 -0.1 19.7 23.6 27.3 43 493 A E S < S- 0 0 116 -3,-2.0 -3,-0.3 192,-0.2 -1,-0.2 -0.920 77.0-112.5-112.6 137.1 17.0 24.6 29.7 44 494 A V - 0 0 69 -2,-0.4 191,-0.1 -3,-0.1 192,-0.1 -0.542 43.8-111.1 -60.4 124.4 15.0 22.2 31.9 45 495 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.269 25.6-124.4 -59.1 148.7 11.4 22.1 30.7 46 496 A K - 0 0 82 -11,-0.3 -11,-2.8 -3,-0.1 -8,-0.1 -0.818 28.5-115.0 -97.2 131.4 8.8 23.7 32.9 47 497 A P B -K 34 0B 23 0, 0.0 -13,-0.3 0, 0.0 106,-0.1 -0.344 30.1-116.6 -65.9 144.0 5.9 21.4 33.8 48 498 A F S S+ 0 0 101 -15,-1.8 107,-0.2 104,-0.1 2,-0.2 -0.998 93.5 35.7-123.3 130.2 2.4 22.2 32.6 49 499 A P S S- 0 0 14 0, 0.0 105,-0.2 0, 0.0 4,-0.1 0.535 82.1-136.9 -79.1-178.4 0.2 22.8 34.5 50 500 A T S S+ 0 0 87 -2,-0.2 2,-0.4 2,-0.1 -2,-0.1 0.904 86.4 43.4 -67.6 -45.2 1.9 24.7 37.3 51 501 A H S S- 0 0 156 1,-0.1 100,-0.1 103,-0.1 -1,-0.1 -0.830 100.2 -91.5-105.8 143.7 0.1 22.9 40.2 52 502 A Y - 0 0 62 -2,-0.4 2,-0.4 98,-0.2 103,-0.2 -0.240 36.8-166.5 -49.7 124.3 -0.5 19.2 40.5 53 503 A K - 0 0 122 101,-2.9 2,-0.4 -4,-0.1 -1,-0.0 -0.971 11.7-149.0-111.8 135.0 -3.9 18.0 39.1 54 504 A D + 0 0 53 -2,-0.4 2,-0.4 101,-0.1 8,-0.1 -0.890 18.0 179.6-111.6 133.8 -5.0 14.5 40.1 55 505 A L - 0 0 74 -2,-0.4 8,-0.4 6,-0.2 2,-0.4 -0.998 2.0-176.8-125.3 133.4 -7.1 11.9 38.2 56 506 A W + 0 0 54 -2,-0.4 2,-0.2 6,-0.1 6,-0.1 -0.800 43.0 97.8-130.4 89.6 -7.8 8.5 39.8 57 507 A D S > S- 0 0 53 -2,-0.4 3,-0.7 3,-0.2 -2,-0.1 -0.820 86.1 -79.3-158.4-174.7 -9.7 6.4 37.3 58 508 A N T 3 S+ 0 0 111 -2,-0.2 4,-0.1 1,-0.2 3,-0.0 0.341 117.7 59.4 -89.0 8.8 -9.3 3.7 34.7 59 509 A K T 3 S+ 0 0 143 2,-0.1 100,-2.5 99,-0.1 2,-0.3 0.485 103.9 47.0-109.5 -7.7 -8.0 6.0 32.0 60 510 A H B < S-L 158 0C 34 -3,-0.7 -3,-0.2 98,-0.3 2,-0.0 -0.895 91.8 -86.1-135.2 160.8 -4.9 7.4 33.7 61 511 A V - 0 0 3 96,-2.8 2,-0.9 -2,-0.3 -6,-0.2 -0.362 42.6-124.2 -59.8 140.7 -1.9 6.4 35.7 62 512 A K - 0 0 10 126,-0.2 -6,-0.1 -6,-0.1 -1,-0.1 -0.825 31.1-145.0 -91.8 103.8 -2.7 6.1 39.5 63 513 A X > - 0 0 8 -2,-0.9 3,-1.7 -8,-0.4 6,-0.1 -0.458 12.7-135.1 -78.0 137.5 -0.1 8.4 41.0 64 514 A P T 3 S+ 0 0 0 0, 0.0 20,-0.1 0, 0.0 -1,-0.1 0.730 105.6 59.9 -60.1 -24.7 1.4 7.5 44.4 65 515 A C T 3 S+ 0 0 15 16,-0.1 2,-0.1 15,-0.1 -2,-0.1 0.322 79.3 125.0 -89.3 8.0 0.9 11.2 45.4 66 516 A S X - 0 0 1 -3,-1.7 3,-1.8 1,-0.1 15,-0.3 -0.414 68.0-133.2 -66.2 139.1 -2.8 11.0 44.9 67 517 A E T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -2,-0.1 13,-0.1 0.758 110.0 61.2 -56.5 -25.0 -5.1 12.0 47.8 68 518 A Q T 3 S+ 0 0 109 -5,-0.1 2,-1.1 11,-0.1 -1,-0.3 0.530 74.9 97.5 -80.7 -9.7 -6.9 8.7 46.8 69 519 A N < + 0 0 2 -3,-1.8 11,-2.1 -6,-0.1 12,-0.6 -0.749 63.3 171.3 -80.8 99.8 -3.9 6.5 47.5 70 520 A L E -M 79 0D 83 -2,-1.1 9,-0.2 9,-0.2 -2,-0.1 -0.786 22.6-162.2-117.9 156.8 -5.0 5.5 51.0 71 521 A Y E -M 78 0D 66 7,-1.9 7,-3.2 -2,-0.3 2,-0.1 -0.986 30.0 -94.0-140.4 151.6 -3.8 3.0 53.7 72 522 A P E M 77 0D 107 0, 0.0 5,-0.2 0, 0.0 0, 0.0 -0.354 360.0 360.0 -64.2 133.1 -5.3 1.3 56.8 73 523 A V 0 0 84 3,-3.8 4,-0.1 -2,-0.1 0, 0.0 0.350 360.0 360.0-124.9 360.0 -4.7 2.8 60.2 74 ! 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 75 530 A R 0 0 145 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.1 -9.4 0.9 61.4 76 531 A T - 0 0 66 -5,-0.0 -3,-3.8 0, 0.0 2,-0.5 -0.686 360.0-112.6-111.4 168.8 -9.0 4.5 60.1 77 532 A A E -M 72 0D 73 -5,-0.2 2,-0.2 -2,-0.2 -7,-0.0 -0.915 32.1-172.4-115.0 119.1 -7.7 5.6 56.5 78 533 A G E -M 71 0D 15 -7,-3.2 -7,-1.9 -2,-0.5 2,-0.8 -0.581 34.4 -95.1-107.2 164.6 -4.3 7.5 56.0 79 534 A S E > -M 70 0D 30 -9,-0.2 4,-1.7 -2,-0.2 3,-0.4 -0.658 28.2-161.0 -76.7 109.7 -2.5 9.3 53.1 80 535 A R H > S+ 0 0 59 -11,-2.1 4,-2.7 -2,-0.8 -1,-0.2 0.855 90.3 60.1 -62.0 -31.7 -0.1 6.7 51.7 81 536 A W H > S+ 0 0 23 -12,-0.6 4,-2.0 -15,-0.3 -1,-0.2 0.904 103.9 49.9 -61.3 -40.3 1.9 9.5 50.1 82 537 A E H > S+ 0 0 131 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.896 111.2 50.2 -63.5 -38.1 2.5 10.9 53.5 83 538 A L H X S+ 0 0 34 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.902 107.9 52.6 -63.7 -45.3 3.6 7.4 54.7 84 539 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.880 109.0 49.9 -56.5 -43.5 6.0 7.1 51.7 85 540 A Q H X S+ 0 0 65 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.946 113.0 46.6 -61.9 -49.5 7.7 10.5 52.5 86 541 A T H < S+ 0 0 97 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.898 114.0 47.8 -57.0 -45.4 8.1 9.4 56.1 87 542 A A H >< S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.917 116.2 41.2 -67.8 -42.6 9.5 6.0 55.2 88 543 A L H 3< S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.679 97.7 74.3 -84.5 -15.7 12.0 7.2 52.6 89 544 A L T 3< S+ 0 0 108 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 0.280 77.3 107.8 -81.5 13.2 13.3 10.3 54.4 90 545 A N S < S- 0 0 85 -3,-0.7 2,-0.3 7,-0.1 -3,-0.0 -0.536 80.5-100.0 -88.6 157.2 15.3 8.1 56.8 91 546 A K - 0 0 176 -2,-0.2 2,-0.5 2,-0.0 45,-0.1 -0.602 34.1-153.6 -70.7 129.6 19.0 7.6 56.8 92 547 A F + 0 0 8 43,-0.4 47,-0.1 -2,-0.3 -4,-0.0 -0.940 34.9 147.5-104.3 126.5 20.1 4.3 55.1 93 548 A T + 0 0 47 -2,-0.5 -1,-0.1 1,-0.3 42,-0.1 0.401 69.8 37.4-126.9 -9.0 23.4 2.8 56.3 94 549 A R S >> S- 0 0 121 41,-0.1 3,-1.8 1,-0.1 4,-0.8 -0.989 83.0-117.3-142.1 144.8 22.5 -0.9 55.8 95 550 A P H >> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.817 111.5 64.7 -54.8 -32.9 20.5 -2.6 53.0 96 551 A Q H 3> S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.810 94.9 60.1 -60.9 -28.5 18.0 -3.8 55.5 97 552 A N H <> S+ 0 0 56 -3,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.874 106.6 46.2 -65.5 -39.1 17.0 -0.2 56.2 98 553 A L H X S+ 0 0 2 -4,-1.8 3,-0.6 2,-0.2 4,-0.6 0.936 110.6 47.6 -65.7 -48.6 11.5 1.6 54.2 102 557 A I H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.870 111.0 52.7 -61.4 -36.6 10.0 0.1 50.9 103 558 A L H >< S+ 0 0 18 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.726 88.6 78.9 -76.9 -21.3 7.9 -2.3 52.9 104 559 A K H << S+ 0 0 106 -4,-1.2 3,-0.3 -3,-0.6 -1,-0.2 0.854 107.8 29.9 -49.5 -37.8 6.4 0.4 55.2 105 560 A Y T << S+ 0 0 9 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.042 122.2 52.7-111.2 23.8 4.0 1.3 52.4 106 561 A N X + 0 0 14 -3,-1.8 3,-2.4 1,-0.0 4,-0.2 -0.193 64.2 149.5-144.9 40.4 3.8 -2.2 50.9 107 562 A V G > + 0 0 103 -3,-0.3 3,-1.6 1,-0.3 4,-0.2 0.793 65.6 62.7 -54.8 -33.5 2.9 -4.2 54.0 108 563 A A G 3 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.678 103.8 50.6 -67.7 -16.3 1.0 -6.9 52.2 109 564 A Y G <> S+ 0 0 53 -3,-2.4 4,-2.9 -6,-0.2 -1,-0.3 0.260 72.9 113.7-104.8 11.8 4.2 -7.9 50.3 110 565 A S T <4 S+ 0 0 49 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.705 91.5 26.1 -57.4 -28.0 6.4 -8.2 53.5 111 566 A K T 4 S+ 0 0 206 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.700 121.6 54.3 -99.7 -32.4 6.8 -12.0 53.0 112 567 A K T 4 S+ 0 0 73 -4,-0.2 2,-0.8 1,-0.1 -2,-0.2 0.828 92.8 77.2 -74.1 -35.9 6.2 -12.2 49.2 113 568 A W < - 0 0 17 -4,-2.9 2,-0.4 2,-0.0 -1,-0.1 -0.712 65.9-161.1 -87.0 112.6 8.9 -9.6 48.2 114 569 A D - 0 0 59 -2,-0.8 3,-0.1 1,-0.1 94,-0.1 -0.727 10.6-175.2 -89.2 133.4 12.4 -11.0 48.4 115 570 A F > + 0 0 2 -2,-0.4 4,-2.6 1,-0.1 3,-0.5 0.112 44.6 121.1-115.3 20.8 15.2 -8.4 48.6 116 571 A T H > S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 93,-0.2 0.847 72.6 51.2 -57.7 -42.4 18.1 -10.8 48.4 117 572 A A H > S+ 0 0 7 91,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.863 111.8 48.1 -65.5 -34.7 19.7 -9.3 45.2 118 573 A L H > S+ 0 0 2 90,-1.0 4,-2.3 -3,-0.5 5,-0.3 0.961 114.9 44.9 -67.3 -51.0 19.6 -5.8 46.7 119 574 A I H X S+ 0 0 33 -4,-2.6 4,-2.9 89,-0.3 5,-0.3 0.921 115.1 48.3 -58.5 -45.9 21.1 -7.0 50.0 120 575 A D H X>S+ 0 0 26 -4,-3.1 4,-2.6 -5,-0.2 5,-0.7 0.858 110.1 52.1 -64.4 -36.8 23.7 -9.0 48.1 121 576 A F H X>S+ 0 0 7 -4,-2.0 5,-2.6 -5,-0.2 4,-1.0 0.971 116.8 38.4 -62.0 -51.6 24.6 -6.1 45.8 122 577 A W H <5S+ 0 0 7 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.900 131.0 28.3 -65.5 -44.9 25.2 -3.7 48.7 123 578 A D H <5S+ 0 0 63 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.792 131.2 26.2 -90.4 -34.7 26.9 -6.3 51.0 124 579 A K H <5S+ 0 0 143 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.418 126.6 34.8-118.3 -2.9 28.6 -8.9 48.8 125 580 A V T <> - 0 0 135 -2,-0.1 4,-2.6 1,-0.1 3,-0.5 -0.427 37.5 -96.6 -73.2 161.8 33.3 -2.4 48.1 128 583 A E H 3> S+ 0 0 78 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.842 123.1 48.9 -49.9 -44.3 33.0 -0.3 51.2 129 584 A A H 3> S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.843 112.2 46.7 -68.0 -38.4 33.6 3.0 49.4 130 585 A E H <> S+ 0 0 84 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.874 110.9 53.3 -72.3 -37.4 31.1 2.3 46.6 131 586 A A H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.915 108.6 51.3 -61.0 -41.7 28.5 1.2 49.2 132 587 A Q H X S+ 0 0 85 -4,-2.2 4,-2.7 -5,-0.2 5,-0.4 0.907 107.8 49.9 -62.2 -43.3 29.1 4.5 51.0 133 588 A H H X>S+ 0 0 92 -4,-2.0 5,-2.1 1,-0.2 4,-1.8 0.919 110.7 53.5 -62.3 -39.5 28.6 6.5 47.8 134 589 A L H <>S+ 0 0 5 -4,-2.2 5,-3.0 3,-0.2 -2,-0.2 0.938 119.0 30.0 -58.4 -52.3 25.3 4.5 47.3 135 590 A Y H <5S+ 0 0 47 -4,-2.3 -43,-0.4 3,-0.2 -2,-0.2 0.788 125.1 44.0 -88.9 -22.9 23.7 5.2 50.7 136 591 A Q H <5S+ 0 0 122 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.772 134.5 4.9 -85.6 -28.2 25.2 8.6 51.4 137 592 A S T X5S+ 0 0 37 -4,-1.8 4,-1.6 -5,-0.4 -3,-0.2 0.763 125.0 44.1-124.5 -52.7 24.7 10.1 48.0 138 593 A I H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 111.3 50.7 -60.7 -35.0 19.1 10.0 49.1 141 596 A D H X S+ 0 0 58 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.886 111.1 49.9 -68.8 -35.7 19.2 11.9 45.8 142 597 A X H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 108.4 51.5 -67.7 -44.0 16.8 9.3 44.3 143 598 A V H X S+ 0 0 3 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.928 109.8 50.6 -54.1 -47.9 14.4 9.7 47.2 144 599 A K H X S+ 0 0 120 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.929 111.4 46.3 -64.1 -44.6 14.4 13.4 46.8 145 600 A I H < S+ 0 0 23 -4,-2.3 3,-0.4 2,-0.2 -1,-0.2 0.887 113.8 50.7 -62.2 -38.3 13.6 13.2 43.0 146 601 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.950 109.5 49.5 -60.7 -48.5 10.9 10.6 43.8 147 602 A L H 3< S+ 0 0 24 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.654 100.4 65.3 -68.9 -14.6 9.3 12.8 46.5 148 603 A C T >X S+ 0 0 53 -4,-1.1 3,-1.9 -3,-0.4 4,-1.0 0.396 71.3 111.9 -81.7 -0.9 9.3 15.9 44.1 149 604 A L H X> + 0 0 0 -3,-1.6 4,-2.8 1,-0.3 3,-1.0 0.838 68.4 52.5 -46.3 -49.9 6.8 14.0 41.9 150 605 A P H 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -98,-0.2 0.752 114.0 45.5 -63.3 -18.5 3.8 16.1 42.5 151 606 A N H <4 S+ 0 0 121 -3,-1.9 -2,-0.2 -4,-0.1 3,-0.2 0.593 121.0 37.7 -92.9 -13.5 5.8 19.3 41.5 152 607 A I H << S+ 0 0 15 -3,-1.0 2,-0.9 -4,-1.0 -3,-0.2 0.844 120.3 40.4-103.7 -50.3 7.4 17.7 38.5 153 608 A C < + 0 0 5 -4,-2.8 -1,-0.2 -5,-0.2 4,-0.1 -0.722 67.9 151.8-103.3 78.4 4.5 15.5 37.0 154 609 A T + 0 0 0 -2,-0.9 -101,-2.9 -121,-0.3 -1,-0.2 0.616 50.7 72.9 -89.2 -15.6 1.7 17.9 37.5 155 610 A Q S S- 0 0 42 -107,-0.2 -101,-0.1 -122,-0.2 -103,-0.1 -0.867 89.8-108.0-106.1 131.5 -0.5 16.7 34.6 156 611 A P - 0 0 23 0, 0.0 -2,-0.1 0, 0.0 -102,-0.1 -0.272 30.6-134.0 -56.8 142.8 -2.3 13.3 34.7 157 612 A I - 0 0 3 -96,-0.2 -96,-2.8 -102,-0.1 2,-0.1 -0.897 16.3-135.7-105.2 114.2 -0.8 10.7 32.4 158 613 A P B -L 60 0C 15 0, 0.0 -98,-0.3 0, 0.0 2,-0.3 -0.386 20.7-114.0 -68.0 144.1 -3.3 8.8 30.2 159 614 A L - 0 0 6 -100,-2.5 2,-1.4 1,-0.1 156,-0.2 -0.616 20.8-130.1 -69.9 135.1 -2.9 5.1 29.8 160 615 A L B -n 315 0E 0 154,-3.5 156,-1.8 -2,-0.3 3,-0.1 -0.722 43.8-171.8 -83.6 81.5 -2.0 4.1 26.3 161 616 A A > - 0 0 27 -2,-1.4 3,-2.0 1,-0.2 -102,-0.0 -0.256 31.1 -68.0 -78.5 163.4 -4.8 1.5 26.2 162 617 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.119 119.1 13.3 -49.9 138.9 -5.5 -1.1 23.5 163 618 A A T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.195 94.4 131.6 78.4 -13.0 -6.7 0.3 20.1 164 619 A X < - 0 0 50 -3,-2.0 2,-0.6 79,-0.1 -1,-0.2 -0.465 45.8-158.4 -72.8 137.8 -5.6 3.9 21.1 165 620 A N + 0 0 86 -2,-0.2 2,-0.3 78,-0.1 78,-0.2 -0.937 46.7 131.3-109.8 100.4 -3.6 5.9 18.6 166 621 A H E - D 0 242A 18 76,-1.1 76,-2.5 -2,-0.6 2,-0.4 -0.993 43.2-145.9-157.4 147.3 -2.2 8.4 21.0 167 622 A S E -cD 30 241A 20 -138,-2.0 -136,-3.1 -2,-0.3 2,-0.4 -0.918 1.1-160.9-123.9 146.6 1.1 10.1 22.0 168 623 A I E -cD 31 240A 0 72,-2.4 72,-3.1 -2,-0.4 2,-0.5 -0.997 8.5-170.5-124.6 124.9 2.5 11.3 25.3 169 624 A T E +cD 32 239A 0 -138,-3.0 -136,-2.4 -2,-0.4 2,-0.3 -0.981 19.4 155.4-118.6 123.3 5.4 13.7 25.2 170 625 A X E - D 0 238A 2 68,-2.3 68,-2.7 -2,-0.5 2,-0.2 -0.851 41.2 -90.3-141.8 169.4 7.2 14.5 28.6 171 626 A S E > - D 0 237A 2 -2,-0.3 4,-2.2 66,-0.2 66,-0.3 -0.548 27.5-122.3 -86.8 155.0 10.5 15.7 29.8 172 627 A Q H > S+ 0 0 0 64,-2.9 4,-2.3 1,-0.2 5,-0.1 0.869 115.7 57.5 -57.1 -35.0 13.4 13.5 30.7 173 628 A E H > S+ 0 0 41 63,-0.4 4,-1.9 61,-0.3 -1,-0.2 0.904 104.4 49.5 -65.4 -39.4 13.2 15.0 34.2 174 629 A Q H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 110.4 51.6 -64.1 -39.6 9.6 13.9 34.6 175 630 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.910 107.0 53.6 -62.2 -43.5 10.6 10.4 33.5 176 631 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.899 108.6 48.4 -61.3 -42.3 13.5 10.3 36.1 177 632 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.900 113.6 48.3 -63.0 -41.9 11.1 11.2 39.0 178 633 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.903 111.3 48.2 -65.6 -41.8 8.7 8.5 37.8 179 634 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.860 107.2 56.6 -69.5 -32.0 11.4 5.9 37.5 180 635 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.917 107.9 48.4 -65.3 -39.9 12.7 6.8 41.0 181 636 A N H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 6,-0.3 0.903 108.5 54.1 -61.9 -40.1 9.3 6.1 42.3 182 637 A A H ><5S+ 0 0 0 -4,-1.9 22,-2.7 3,-0.2 3,-1.1 0.927 107.2 51.9 -62.0 -40.5 9.3 2.8 40.4 183 638 A F H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.921 111.4 44.8 -59.8 -47.5 12.5 1.9 42.1 184 639 A F T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.351 113.5-123.0 -80.3 6.2 11.1 2.6 45.6 185 640 A C T < 5 + 0 0 0 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.881 62.8 143.2 59.0 46.0 8.0 0.6 44.5 186 641 A T < + 0 0 4 -5,-2.3 -4,-0.1 -6,-0.1 -1,-0.1 0.565 24.7 114.9 -93.7 -9.9 5.5 3.5 45.2 187 642 A F > - 0 0 2 -6,-0.3 3,-0.9 -5,-0.1 -124,-0.1 -0.487 64.7-131.7 -67.6 117.4 3.0 3.0 42.3 188 643 A P T 3 S+ 0 0 10 0, 0.0 -126,-0.2 0, 0.0 -1,-0.1 -0.338 77.1 9.5 -70.8 152.5 -0.3 2.0 43.8 189 644 A R T 3 S+ 0 0 156 1,-0.1 7,-0.3 -2,-0.0 6,-0.1 0.579 95.9 104.7 64.7 15.8 -2.4 -0.9 42.7 190 645 A R < + 0 0 13 -3,-0.9 12,-0.3 1,-0.1 13,-0.2 0.258 63.1 69.8-109.9 13.1 0.3 -2.3 40.4 191 646 A N 0 0 41 10,-0.1 -1,-0.1 11,-0.1 10,-0.0 0.608 360.0 360.0-104.4 -16.6 1.4 -5.3 42.5 192 647 A A 0 0 101 -3,-0.1 -2,-0.1 0, 0.0 5,-0.0 0.371 360.0 360.0 155.6 360.0 -1.4 -7.9 42.5 193 ! 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 0.0 194 651 A S > 0 0 103 0, 0.0 3,-0.9 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 158.1 -6.8 -7.0 39.2 195 652 A E T 3 + 0 0 65 1,-0.2 3,-0.3 -6,-0.1 -5,-0.1 0.686 360.0 48.4 -72.2 -23.1 -7.1 -3.9 37.0 196 653 A Y T > + 0 0 17 -7,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.107 67.5 115.2-111.7 22.2 -3.6 -4.0 35.6 197 654 A S T < S+ 0 0 96 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.731 81.5 52.8 -64.5 -18.6 -3.4 -7.7 34.6 198 655 A S T 3 S+ 0 0 32 -3,-0.3 119,-3.0 2,-0.1 -1,-0.3 0.292 101.7 76.7 -97.5 10.7 -3.1 -6.4 31.0 199 656 A Y S < S- 0 0 19 -3,-2.1 117,-0.2 117,-0.2 86,-0.1 -0.851 85.5-109.0-114.9 150.9 -0.2 -4.0 31.9 200 657 A P - 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