==== 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 09-SEP-12 4B9Z . COMPND 2 MOLECULE: ALPHA-GLUCOSIDASE, PUTATIVE, ADG31B; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . AUTHOR J.LARSBRINK,A.IZUMI,G.R.HEMSWORTH,G.J.DAVIES,H.BRUMER . 780 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 . 77 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 1 1 0 0 0 2 0 2 0 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 2 2 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 0 PARALLEL BRIDGES PER LADDER . 4 1 7 10 8 3 0 3 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 1 1 0 4 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 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 35 A A 0 0 121 0, 0.0 2,-0.4 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 108.6 31.7 73.9 -12.8 2 36 A V + 0 0 43 81,-0.1 81,-2.4 17,-0.1 2,-0.3 -0.932 360.0 171.1-118.0 138.5 29.2 71.2 -11.7 3 37 A F - 0 0 65 -2,-0.4 16,-1.5 79,-0.2 17,-0.3 -0.996 35.6 -99.4-146.8 152.5 26.7 69.4 -13.8 4 38 A Y E +A 18 0A 34 76,-2.1 14,-0.2 -2,-0.3 3,-0.1 -0.402 35.8 166.1 -64.3 139.6 24.2 66.5 -13.6 5 39 A K E - 0 0 124 12,-2.6 2,-0.3 1,-0.4 13,-0.2 0.637 59.6 -34.7-119.8 -44.9 25.3 63.1 -14.9 6 40 A E E -A 17 0A 120 11,-1.9 11,-4.2 2,-0.0 -1,-0.4 -0.981 47.9-145.9-171.7 165.3 22.8 60.6 -13.6 7 41 A H E -A 16 0A 49 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.880 2.2-156.1-138.2 170.6 20.5 59.5 -10.8 8 42 A K E -A 15 0A 57 7,-1.5 7,-2.6 -2,-0.3 2,-1.0 -0.950 10.9-150.3-151.2 122.6 19.1 56.5 -9.0 9 43 A L E +A 14 0A 72 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.682 38.2 151.1-102.0 80.9 15.8 56.4 -7.0 10 44 A R + 0 0 44 3,-1.1 -2,-0.0 -2,-1.0 4,-0.0 -0.816 52.8 0.3-160.0 114.0 16.4 53.8 -4.4 11 45 A N S S- 0 0 136 -2,-0.3 -1,-0.1 44,-0.1 3,-0.1 0.327 112.0 -60.2-179.5 119.2 15.0 53.9 -1.8 12 46 A D S S+ 0 0 64 44,-0.2 15,-0.3 46,-0.1 46,-0.3 -0.837 117.2 86.0 -91.3 32.9 13.2 56.0 -0.9 13 47 A G S S- 0 0 2 13,-0.1 -3,-1.1 42,-0.1 2,-0.6 -0.641 71.7-126.9 -97.3 149.7 16.1 58.4 -1.4 14 48 A L E -AB 9 25A 0 11,-2.6 11,-3.0 -2,-0.3 2,-0.6 -0.829 22.6-166.5 -91.0 120.7 17.2 60.2 -4.5 15 49 A V E -AB 8 24A 36 -7,-2.6 -7,-1.5 -2,-0.6 2,-0.4 -0.925 7.6-170.1-111.3 110.4 20.9 59.6 -5.3 16 50 A I E -AB 7 23A 0 7,-3.0 7,-2.6 -2,-0.6 2,-0.5 -0.792 10.6-153.4-101.9 139.3 22.3 62.0 -7.9 17 51 A T E +AB 6 22A 36 -11,-4.2 -12,-2.6 -2,-0.4 -11,-1.9 -0.961 18.2 174.4-109.9 121.9 25.7 61.8 -9.5 18 52 A T E -A 4 0A 7 3,-3.0 3,-0.4 -2,-0.5 -14,-0.2 -0.572 52.6 -92.8-106.1-178.5 27.3 65.0 -10.8 19 53 A N S S+ 0 0 48 -16,-1.5 -15,-0.1 1,-0.2 3,-0.1 0.651 128.6 49.2 -66.5 -14.6 30.8 65.4 -12.2 20 54 A Q S S- 0 0 145 1,-0.3 2,-0.3 -17,-0.3 -1,-0.2 0.646 121.6 -81.6-102.7 -13.9 31.8 66.2 -8.7 21 55 A G - 0 0 23 -3,-0.4 -3,-3.0 2,-0.0 2,-0.3 -0.970 60.9 -32.4 149.3-162.4 30.3 63.3 -6.8 22 56 A N E -B 17 0A 43 -2,-0.3 17,-2.4 -5,-0.2 2,-0.4 -0.741 37.7-168.3 -99.8 142.5 27.1 61.9 -5.2 23 57 A I E -B 16 0A 2 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.5 -0.994 8.4-155.3-126.5 130.9 24.2 63.8 -3.5 24 58 A R E -BC 15 36A 67 12,-2.8 12,-2.9 -2,-0.4 2,-0.5 -0.932 6.6-168.9-112.2 124.1 21.5 62.1 -1.5 25 59 A L E +BC 14 35A 0 -11,-3.0 -11,-2.6 -2,-0.5 2,-0.4 -0.948 11.3 170.3-112.2 127.8 18.1 63.7 -1.0 26 60 A Q E - C 0 34A 30 8,-2.3 8,-3.3 -2,-0.5 2,-0.5 -0.988 29.5-134.6-139.3 127.2 15.7 62.2 1.5 27 61 A F E - C 0 33A 1 29,-0.4 29,-2.3 -2,-0.4 6,-0.3 -0.696 12.5-171.1 -77.0 123.4 12.4 63.6 2.8 28 62 A K E S- 0 0 16 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.545 77.7 -12.8 -89.4 -10.2 12.2 63.3 6.5 29 63 A S E > S- C 0 32A 7 3,-1.4 3,-0.8 27,-0.1 -1,-0.2 -0.947 86.4 -81.2-168.6 179.8 8.6 64.4 6.2 30 64 A E T 3 S+ 0 0 98 -2,-0.3 44,-2.1 1,-0.2 43,-2.1 0.687 131.0 35.1 -66.0 -15.6 6.2 65.9 3.7 31 65 A A T 3 S+ 0 0 4 42,-0.2 171,-2.7 41,-0.1 2,-0.4 0.324 110.9 65.0-120.2 5.8 7.6 69.3 4.6 32 66 A A E < -CD 29 201A 0 -3,-0.8 -4,-2.2 169,-0.2 -3,-1.4 -0.988 53.4-170.2-142.5 130.5 11.3 68.6 5.2 33 67 A I E -CD 27 200A 0 167,-2.3 167,-2.2 -2,-0.4 2,-0.5 -0.952 12.7-148.8-124.3 136.2 14.2 67.4 3.1 34 68 A E E -CD 26 199A 1 -8,-3.3 -8,-2.3 -2,-0.4 2,-0.5 -0.898 13.3-164.8 -98.0 131.6 17.7 66.3 4.0 35 69 A V E -CD 25 198A 0 163,-3.0 163,-1.9 -2,-0.5 2,-0.6 -0.936 5.1-172.4-122.5 107.5 20.4 67.1 1.4 36 70 A L E -CD 24 197A 7 -12,-2.9 -12,-2.8 -2,-0.5 3,-0.5 -0.884 2.6-166.2-107.8 112.6 23.7 65.2 1.8 37 71 A Y S S+ 0 0 16 159,-2.6 159,-0.3 -2,-0.6 -14,-0.2 -0.462 77.3 31.4 -87.2 169.2 26.6 66.1 -0.5 38 72 A R S > S+ 0 0 79 -16,-0.4 3,-2.2 -2,-0.1 -1,-0.2 0.852 78.0 163.3 47.4 37.7 29.7 63.9 -0.7 39 73 A A T 3 + 0 0 29 -17,-2.4 -16,-0.1 -3,-0.5 -1,-0.1 0.742 61.2 64.0 -59.4 -23.5 27.1 61.2 -0.0 40 74 A D T 3 S+ 0 0 111 -18,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.620 95.0 70.5 -78.3 -15.0 29.6 58.5 -1.2 41 75 A S S < S- 0 0 51 -3,-2.2 2,-0.5 -19,-0.2 0, 0.0 -0.556 91.2 -97.7-102.0 165.9 32.1 59.2 1.5 42 76 A K + 0 0 213 -2,-0.2 2,-0.3 3,-0.0 -2,-0.1 -0.729 52.2 161.0 -85.9 128.8 32.0 58.5 5.3 43 77 A Q - 0 0 44 -2,-0.5 152,-0.1 -4,-0.1 -5,-0.0 -0.850 46.9 -74.6-135.7 168.5 31.0 61.5 7.4 44 78 A L - 0 0 21 -2,-0.3 152,-0.1 1,-0.1 3,-0.1 -0.362 59.4-108.9 -58.7 148.6 29.7 62.2 10.9 45 79 A P - 0 0 76 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 -0.208 42.6 -77.7 -73.4 170.6 26.0 61.4 11.2 46 80 A S - 0 0 13 1,-0.2 125,-0.1 125,-0.1 124,-0.0 -0.427 39.1-179.3 -63.1 142.5 23.2 63.9 11.4 47 81 A F S S+ 0 0 24 -2,-0.1 -1,-0.2 -3,-0.1 383,-0.1 0.618 77.6 60.3-108.3 -30.9 22.8 65.5 14.9 48 82 A A S S+ 0 0 0 384,-0.0 2,-0.3 4,-0.0 -2,-0.0 0.787 89.1 82.7 -69.3 -29.6 19.9 67.7 14.0 49 83 A L - 0 0 3 1,-0.1 168,-0.3 121,-0.1 167,-0.1 -0.603 58.7-159.1 -88.2 136.8 17.5 64.9 13.0 50 84 A A S S+ 0 0 42 166,-2.7 167,-0.1 -2,-0.3 -1,-0.1 0.810 100.4 26.9 -76.1 -33.3 15.4 63.0 15.6 51 85 A Q S > S+ 0 0 140 165,-0.6 3,-2.1 1,-0.1 -1,-0.3 -0.676 73.8 172.0-126.0 76.5 15.0 60.1 13.0 52 86 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.776 75.9 56.6 -62.4 -26.3 18.1 60.5 10.8 53 87 A E T 3 S+ 0 0 191 -3,-0.1 2,-0.1 -4,-0.1 -3,-0.0 0.380 82.9 119.0 -86.9 4.7 17.4 57.2 9.0 54 88 A S < + 0 0 29 -3,-2.1 2,-0.2 -28,-0.1 -25,-0.1 -0.360 30.4 166.8 -69.7 148.1 13.9 58.3 7.9 55 89 A A - 0 0 25 -27,-0.1 -27,-0.2 -2,-0.1 2,-0.1 -0.664 17.0-158.6-161.9 104.2 12.9 58.6 4.2 56 90 A I - 0 0 51 -29,-2.3 -29,-0.4 -2,-0.2 2,-0.2 -0.447 37.6 -80.6 -87.0 159.2 9.2 59.0 3.2 57 91 A K + 0 0 176 -2,-0.1 2,-0.3 -46,-0.1 -1,-0.1 -0.379 55.4 177.3 -62.4 120.3 7.7 58.2 -0.2 58 92 A A - 0 0 27 -46,-0.3 2,-0.5 -2,-0.2 13,-0.2 -0.809 28.0-117.1-119.3 162.9 8.3 61.0 -2.6 59 93 A Q E -H 70 0B 104 11,-2.5 11,-2.9 -2,-0.3 2,-0.5 -0.868 23.6-160.3-102.1 134.1 7.4 61.5 -6.3 60 94 A L E +H 69 0B 45 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.955 12.4 174.8-113.7 128.7 10.2 61.9 -8.9 61 95 A T E -H 68 0B 56 7,-2.3 7,-3.1 -2,-0.5 2,-0.4 -0.979 13.2-151.5-131.3 148.4 9.6 63.4 -12.3 62 96 A E E +H 67 0B 105 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.948 14.1 174.7-126.5 138.2 12.2 64.3 -15.0 63 97 A T - 0 0 80 3,-3.0 -2,-0.0 -2,-0.4 5,-0.0 -0.698 51.1 -88.5-123.4-178.1 12.4 66.8 -17.8 64 98 A E S S+ 0 0 161 -2,-0.2 3,-0.0 1,-0.2 -1,-0.0 0.911 125.2 19.2 -59.0 -43.1 15.1 67.7 -20.3 65 99 A N S S+ 0 0 102 15,-0.1 15,-2.8 14,-0.0 16,-0.4 0.455 124.6 42.2-110.6 -3.8 16.7 70.3 -18.0 66 100 A H E - 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0 0 49 -2,-0.3 2,-1.2 -3,-0.1 3,-0.1 -0.309 25.3-144.7 -56.5 127.9 22.7 95.9 43.8 484 520 A D > - 0 0 69 1,-0.2 4,-2.6 -9,-0.2 5,-0.2 -0.818 23.1-167.8 -89.1 96.1 21.0 98.0 41.1 485 521 A K H > S+ 0 0 59 -2,-1.2 4,-2.4 1,-0.2 5,-0.2 0.883 77.6 46.8 -60.1 -47.4 17.6 97.8 42.8 486 522 A E H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 114.8 48.1 -63.1 -41.8 15.4 99.2 40.1 487 523 A M H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 110.8 51.2 -61.3 -46.8 17.0 97.0 37.4 488 524 A Y H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.940 111.1 47.7 -58.1 -48.3 16.8 93.9 39.7 489 525 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.953 112.2 48.8 -59.9 -49.7 13.1 94.5 40.3 490 526 A R H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.870 111.4 51.1 -58.2 -38.1 12.4 95.0 36.6 491 527 A W H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.907 110.9 46.4 -67.1 -42.5 14.3 91.8 35.7 492 528 A L H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.749 110.5 54.3 -75.9 -20.1 12.4 89.7 38.3 493 529 A Q H >X S+ 0 0 1 -4,-1.9 3,-1.0 -5,-0.2 4,-0.5 0.942 110.2 45.0 -71.4 -51.8 9.1 91.2 37.0 494 530 A Y H >< S+ 0 0 4 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.894 103.9 68.7 -52.6 -39.8 9.9 90.2 33.5 495 531 A G H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.825 88.3 62.2 -52.2 -37.3 11.0 86.8 34.9 496 532 A V H << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.821 106.8 46.4 -58.0 -29.8 7.3 86.0 35.8 497 533 A F T << S+ 0 0 2 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 -0.116 101.5 73.9-111.9 32.7 6.5 86.1 32.1 498 534 A Q S < S- 0 0 0 -3,-1.5 -27,-0.1 77,-0.1 -29,-0.1 -0.921 94.3 -90.1-140.2 168.9 9.4 84.0 30.7 499 535 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -28,-0.1 0.724 100.8 28.2 -61.0 -37.6 10.0 80.3 30.8 500 536 A V - 0 0 0 -30,-0.2 2,-1.6 -28,-0.1 -28,-0.3 -0.977 64.6-143.3-133.4 126.1 12.0 79.5 34.0 501 537 A Y B +q 230 0D 1 -272,-0.6 -270,-2.1 -2,-0.4 -28,-0.1 -0.582 47.4 140.1 -90.3 81.3 12.0 81.5 37.2 502 538 A R - 0 0 0 -2,-1.6 -28,-1.8 -30,-0.4 2,-0.2 -0.770 31.7-168.5-132.1 85.3 15.6 81.3 38.2 503 539 A P B +f 474 0L 0 0, 0.0 -270,-0.3 0, 0.0 2,-0.3 -0.533 24.0 163.2 -64.2 140.6 17.3 84.4 39.7 504 540 A H + 0 0 3 -30,-1.2 2,-0.3 -2,-0.2 -270,-0.2 -0.930 3.6 142.8-165.6 134.9 21.1 83.7 39.8 505 541 A G - 0 0 0 -2,-0.3 -270,-2.6 -272,-0.1 6,-0.2 -0.982 56.6 -63.8-167.1 166.5 24.2 85.8 40.2 506 542 A Q B > -w 235 0F 34 -29,-2.0 3,-1.8 -2,-0.3 -270,-0.2 -0.446 55.4-121.8 -63.4 135.8 27.7 86.0 41.7 507 543 A D T 3 S+ 0 0 33 -272,-2.6 -1,-0.1 1,-0.3 -271,-0.1 0.334 98.2 84.8 -80.1 8.6 27.1 86.0 45.5 508 544 A H T 3 S+ 0 0 98 1,-0.2 -1,-0.3 -273,-0.2 -2,-0.1 0.681 104.7 38.5 -74.0 -15.0 28.8 89.3 46.5 509 545 A I S < S- 0 0 6 -3,-1.8 -1,-0.2 -27,-0.1 2,-0.1 -0.997 103.1-113.2-129.0 129.3 25.3 90.6 45.5 510 546 A P - 0 0 41 0, 0.0 -4,-0.1 0, 0.0 -6,-0.1 -0.365 26.4-175.1 -65.4 132.4 22.2 88.5 46.5 511 547 A S + 0 0 1 -6,-0.2 -7,-0.1 -278,-0.2 -277,-0.1 0.732 58.5 91.0 -94.9 -26.9 20.3 87.0 43.6 512 548 A E S > S- 0 0 0 1,-0.1 3,-1.5 -7,-0.1 -280,-0.1 -0.476 74.3-137.1 -73.5 137.1 17.4 85.5 45.6 513 549 A P G > S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.751 99.3 68.5 -65.8 -21.9 14.4 87.8 46.1 514 550 A V G 3 S+ 0 0 1 1,-0.3 7,-0.1 -268,-0.1 -2,-0.0 0.665 95.2 55.7 -71.3 -17.4 14.1 86.7 49.8 515 551 A F G < S+ 0 0 71 -3,-1.5 -1,-0.3 6,-0.0 2,-0.1 0.184 90.1 102.8 -97.3 17.4 17.3 88.5 50.6 516 552 A Q S < S- 0 0 16 -3,-1.3 -5,-0.0 1,-0.2 -4,-0.0 -0.395 79.9 -83.7 -98.7 174.0 16.1 91.9 49.3 517 553 A D > - 0 0 74 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.187 47.3 -97.0 -73.9 172.2 14.9 95.0 51.1 518 554 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 122.2 49.9 -59.8 -41.8 11.3 95.4 52.3 519 555 A E H > S+ 0 0 103 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.899 111.7 48.0 -62.9 -44.1 10.2 97.4 49.3 520 556 A T H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 114.1 46.7 -62.7 -45.8 11.6 95.0 46.8 521 557 A K H X S+ 0 0 10 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.892 108.3 55.4 -64.8 -38.3 10.1 92.0 48.6 522 558 A A H < S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.825 114.4 41.9 -64.1 -31.4 6.7 93.8 48.9 523 559 A I H X S+ 0 0 21 -4,-1.4 4,-0.5 -5,-0.2 -2,-0.2 0.904 121.7 37.8 -78.0 -45.8 6.8 94.3 45.1 524 560 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.806 99.9 72.2 -83.1 -29.3 8.1 90.8 44.2 525 561 A R H X S+ 0 0 48 -4,-3.0 4,-2.3 1,-0.3 5,-0.2 0.938 101.6 43.2 -55.7 -50.8 6.3 88.5 46.7 526 562 A P H > S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.801 114.6 53.3 -67.7 -22.2 2.8 88.8 45.1 527 563 A L H X S+ 0 0 11 -4,-0.5 4,-2.2 -3,-0.3 -2,-0.2 0.871 108.1 47.2 -77.1 -39.5 4.5 88.5 41.6 528 564 A V H X S+ 0 0 1 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.897 114.4 49.3 -66.1 -36.1 6.3 85.2 42.5 529 565 A K H X S+ 0 0 59 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.906 106.5 55.6 -66.4 -39.5 2.9 84.1 44.0 530 566 A L H X S+ 0 0 12 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.904 101.0 58.3 -55.7 -45.4 1.3 85.2 40.7 531 567 A R H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.918 110.8 43.1 -48.7 -46.9 3.7 82.9 38.9 532 568 A Y H >< S+ 0 0 1 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.908 110.9 53.0 -67.8 -41.8 2.3 80.0 41.0 533 569 A R H 3< S+ 0 0 98 -4,-2.7 106,-1.8 1,-0.3 -2,-0.2 0.856 108.7 53.0 -62.6 -32.1 -1.3 81.1 40.6 534 570 A M T >X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 3,-1.0 0.340 73.0 112.6 -84.4 6.0 -0.8 81.1 36.8 535 571 A L H <> S+ 0 0 0 -3,-1.8 4,-3.3 1,-0.3 5,-0.4 0.874 73.2 56.8 -49.1 -40.7 0.6 77.6 36.7 536 572 A P H 3> S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 135,-0.4 0.897 110.5 44.4 -59.7 -37.6 -2.4 76.3 34.8 537 573 A Y H <> S+ 0 0 20 -3,-1.0 4,-1.8 100,-0.6 -2,-0.2 0.933 119.4 41.4 -68.0 -46.4 -1.8 78.9 32.0 538 574 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -3,-0.2 0.923 114.5 49.3 -69.7 -45.2 1.9 78.2 31.9 539 575 A Y H X S+ 0 0 2 -4,-3.3 4,-2.3 -5,-0.3 -1,-0.2 0.816 109.6 53.9 -66.8 -31.0 1.8 74.4 32.2 540 576 A T H X S+ 0 0 11 -4,-1.3 4,-2.4 -5,-0.4 -1,-0.2 0.912 107.8 49.0 -68.3 -42.3 -0.8 74.4 29.4 541 577 A A H X S+ 0 0 11 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.853 110.1 53.4 -61.2 -34.9 1.5 76.4 27.1 542 578 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.937 106.8 51.1 -63.1 -48.8 4.2 73.8 28.1 543 579 A Y H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 109.9 49.7 -52.3 -47.6 1.9 71.0 27.0 544 580 A Q H X S+ 0 0 48 -4,-2.4 4,-2.6 1,-0.2 6,-0.7 0.877 107.5 54.8 -62.9 -37.0 1.3 72.8 23.7 545 581 A N H X S+ 0 0 5 -4,-2.0 4,-2.0 4,-0.2 -325,-0.3 0.908 109.0 47.6 -61.2 -41.2 5.1 73.2 23.2 546 582 A T H < S+ 0 0 23 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 116.2 45.6 -66.3 -38.9 5.5 69.4 23.7 547 583 A L H < S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.891 136.9 1.7 -68.4 -42.5 2.6 68.8 21.2 548 584 A T H < S- 0 0 25 -4,-2.6 -334,-0.2 -5,-0.1 -3,-0.2 0.397 92.5-108.6-134.6 -5.3 3.6 71.2 18.4 549 585 A G < + 0 0 3 -4,-2.0 -4,-0.2 -5,-0.5 -83,-0.2 0.385 60.0 159.9 82.0 -3.5 6.8 72.9 19.3 550 586 A M - 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