==== 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 4BA0 . 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 . 782 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 191 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 9 1.2 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 . 73 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.2 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 . 9 1.2 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 7 4 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 0 123 0, 0.0 2,-0.4 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 122.1 31.9 73.9 -12.7 2 36 A V + 0 0 49 81,-0.1 81,-2.8 17,-0.1 2,-0.3 -0.971 360.0 167.6-126.1 138.1 29.3 71.3 -11.6 3 37 A F - 0 0 97 -2,-0.4 16,-1.5 79,-0.2 17,-0.3 -0.989 37.0 -95.7-148.4 156.6 26.8 69.5 -13.7 4 38 A Y E +A 18 0A 41 76,-2.2 14,-0.2 -2,-0.3 3,-0.1 -0.406 37.1 164.1 -70.8 142.4 24.4 66.5 -13.5 5 39 A K E - 0 0 131 12,-2.7 2,-0.3 1,-0.4 13,-0.2 0.645 59.7 -23.5-121.2 -47.9 25.4 63.1 -14.8 6 40 A E E -A 17 0A 45 11,-1.8 11,-4.1 2,-0.0 -1,-0.4 -0.983 48.8-153.5-162.3 161.4 23.1 60.5 -13.4 7 41 A H E -A 16 0A 54 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.990 3.4-158.4-144.1 155.6 20.6 59.6 -10.6 8 42 A K E -A 15 0A 57 7,-2.4 7,-3.2 -2,-0.3 -2,-0.0 -0.981 7.6-156.5-129.8 145.2 19.2 56.5 -8.8 9 43 A L + 0 0 79 -2,-0.3 2,-0.5 5,-0.2 3,-0.3 0.170 37.6 142.4-113.2 19.3 15.9 56.6 -6.9 10 44 A R + 0 0 60 1,-0.2 4,-0.0 2,-0.1 -2,-0.0 -0.937 56.0 15.7-120.7 125.4 16.2 53.8 -4.4 11 45 A N S S- 0 0 86 -2,-0.5 -1,-0.2 44,-0.1 3,-0.1 0.418 111.8 -71.4-173.2 135.1 15.0 54.1 -1.7 12 46 A D S S+ 0 0 66 -3,-0.3 15,-0.3 44,-0.1 46,-0.3 -0.777 113.4 87.1 -94.0 37.0 13.2 56.2 -1.0 13 47 A G S S- 0 0 3 13,-0.1 2,-0.6 42,-0.1 13,-0.2 -0.643 72.5-125.6 -93.5 150.0 16.1 58.6 -1.3 14 48 A L E - B 0 25A 0 11,-2.7 11,-3.0 -2,-0.3 2,-0.6 -0.841 21.9-164.5 -93.5 122.6 17.3 60.3 -4.4 15 49 A V E -AB 8 24A 40 -7,-3.2 -7,-2.4 -2,-0.6 2,-0.4 -0.925 8.0-169.4-111.1 113.5 21.0 59.8 -5.2 16 50 A I E -AB 7 23A 0 7,-3.1 7,-2.5 -2,-0.6 2,-0.5 -0.838 9.8-153.8-106.8 135.2 22.4 62.2 -7.7 17 51 A T E +AB 6 22A 48 -11,-4.1 -12,-2.7 -2,-0.4 -11,-1.8 -0.932 17.0 176.3-105.5 124.3 25.8 61.9 -9.4 18 52 A T E > -AB 4 21A 7 3,-2.7 3,-1.0 -2,-0.5 -14,-0.2 -0.634 52.1 -93.3-109.3 177.5 27.5 65.1 -10.6 19 53 A N T 3 S+ 0 0 50 -16,-1.5 -15,-0.1 1,-0.2 3,-0.1 0.617 128.5 48.5 -63.3 -9.8 30.9 65.4 -12.2 20 54 A Q T 3 S- 0 0 136 1,-0.3 2,-0.3 -17,-0.3 -1,-0.2 0.502 121.0 -79.5-111.9 -6.5 32.1 66.1 -8.6 21 55 A G E < -B 18 0A 21 -3,-1.0 -3,-2.7 2,-0.0 -1,-0.3 -0.906 62.0 -31.9 140.8-167.1 30.4 63.3 -6.6 22 56 A N E -B 17 0A 47 -2,-0.3 17,-2.2 -5,-0.2 16,-0.6 -0.664 36.0-168.6 -97.0 144.3 27.2 62.0 -5.0 23 57 A I E -BC 16 37A 3 -7,-2.5 -7,-3.1 -2,-0.3 2,-0.5 -0.998 9.3-156.1-127.9 127.8 24.4 64.0 -3.4 24 58 A R E -BC 15 36A 65 12,-2.8 12,-2.9 -2,-0.4 2,-0.5 -0.909 6.5-169.2-109.7 125.6 21.7 62.2 -1.4 25 59 A L E +BC 14 35A 0 -11,-3.0 -11,-2.7 -2,-0.5 2,-0.4 -0.951 11.0 170.0-113.4 129.3 18.2 63.7 -0.9 26 60 A Q E - C 0 34A 27 8,-2.1 8,-2.9 -2,-0.5 2,-0.5 -0.988 30.2-133.5-139.7 128.4 15.7 62.3 1.6 27 61 A F E - C 0 33A 1 29,-0.5 29,-2.2 -2,-0.4 6,-0.3 -0.684 13.7-172.0 -76.6 126.5 12.4 63.7 2.8 28 62 A K E S- 0 0 12 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.520 77.4 -14.1 -93.0 -10.4 12.3 63.4 6.6 29 63 A S E > S- C 0 32A 4 3,-1.3 3,-0.6 27,-0.1 -1,-0.2 -0.931 86.2 -81.9-169.0-178.5 8.7 64.5 6.4 30 64 A E T 3 S+ 0 0 66 -2,-0.3 44,-2.1 1,-0.2 43,-1.7 0.682 130.7 36.6 -69.3 -15.9 6.3 66.0 3.8 31 65 A A T 3 S+ 0 0 5 42,-0.2 172,-2.8 41,-0.1 2,-0.4 0.347 111.0 63.2-117.6 2.7 7.7 69.4 4.8 32 66 A A E < -CD 29 202A 0 -3,-0.6 -4,-2.3 170,-0.2 -3,-1.3 -0.992 53.5-171.2-141.7 133.2 11.4 68.8 5.4 33 67 A I E -CD 27 201A 0 168,-2.3 168,-2.3 -2,-0.4 2,-0.5 -0.957 13.2-148.2-127.0 139.8 14.3 67.5 3.2 34 68 A E E -CD 26 200A 1 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.6 -0.932 12.7-163.9-104.4 127.3 17.8 66.5 4.1 35 69 A V E -CD 25 199A 0 164,-3.1 164,-2.0 -2,-0.5 2,-0.6 -0.948 5.5-170.8-115.8 112.5 20.5 67.2 1.5 36 70 A L E -CD 24 198A 8 -12,-2.9 -12,-2.8 -2,-0.6 3,-0.5 -0.901 2.6-164.8-110.5 111.5 23.8 65.4 1.9 37 71 A Y E S+C 23 0A 16 160,-2.6 160,-0.3 -2,-0.6 -14,-0.2 -0.506 78.0 29.8 -85.9 164.6 26.7 66.3 -0.3 38 72 A R S > S+ 0 0 77 -16,-0.6 3,-1.6 -2,-0.2 -1,-0.2 0.876 74.5 162.3 50.5 41.1 29.7 63.9 -0.5 39 73 A A T 3 + 0 0 30 -17,-2.2 -16,-0.1 -3,-0.5 -1,-0.1 0.748 64.1 66.6 -64.7 -22.1 27.2 61.2 0.1 40 74 A D T 3 S+ 0 0 96 -18,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.807 95.3 68.2 -61.5 -36.3 29.8 58.8 -1.2 41 75 A S S < S- 0 0 53 -3,-1.6 2,-0.5 -19,-0.2 0, 0.0 -0.304 88.2-101.0 -93.8 168.9 32.2 59.3 1.7 42 76 A K + 0 0 210 -2,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.766 53.4 151.2 -87.0 128.3 32.2 58.6 5.4 43 77 A Q - 0 0 46 -2,-0.5 153,-0.1 -4,-0.1 -5,-0.0 -0.933 50.1 -64.6-148.2 170.7 31.4 61.5 7.6 44 78 A L - 0 0 22 -2,-0.3 153,-0.1 1,-0.1 3,-0.1 -0.215 58.2-112.2 -54.9 147.9 29.8 62.4 11.0 45 79 A P - 0 0 75 0, 0.0 151,-0.2 0, 0.0 2,-0.1 -0.254 42.6 -78.0 -73.6 169.2 26.1 61.5 11.3 46 80 A S - 0 0 12 1,-0.2 126,-0.1 126,-0.1 125,-0.0 -0.421 38.9-178.9 -62.2 140.7 23.4 64.0 11.6 47 81 A F S S+ 0 0 24 -2,-0.1 -1,-0.2 -3,-0.1 384,-0.1 0.619 78.0 59.6-106.7 -26.9 23.0 65.6 15.0 48 82 A A S S+ 0 0 0 385,-0.0 2,-0.3 4,-0.0 -2,-0.0 0.776 88.1 83.7 -75.1 -28.8 20.0 67.8 14.1 49 83 A L - 0 0 2 1,-0.1 169,-0.3 122,-0.1 4,-0.1 -0.617 59.9-156.9 -86.5 133.4 17.6 65.0 13.1 50 84 A A S S+ 0 0 41 167,-2.9 168,-0.1 -2,-0.3 -1,-0.1 0.823 100.2 26.6 -71.2 -33.3 15.5 63.1 15.7 51 85 A Q S > S+ 0 0 138 166,-0.6 3,-1.2 1,-0.1 -1,-0.3 -0.694 72.9 174.2-129.8 80.4 15.2 60.2 13.2 52 86 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.796 77.1 51.7 -58.4 -33.7 18.3 60.4 10.9 53 87 A E T 3 S+ 0 0 121 -4,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.617 84.7 109.3 -84.1 -12.7 17.6 57.2 9.0 54 88 A S < + 0 0 35 -3,-1.2 2,-0.2 -26,-0.1 -25,-0.1 -0.230 37.2 173.0 -66.4 153.3 14.0 58.0 8.1 55 89 A A - 0 0 25 -27,-0.1 -27,-0.2 -29,-0.1 2,-0.1 -0.709 17.5-150.2-161.8 104.6 13.0 58.7 4.5 56 90 A I - 0 0 59 -29,-2.2 -29,-0.5 -2,-0.2 2,-0.2 -0.395 35.3 -85.7 -81.5 157.3 9.3 59.1 3.5 57 91 A K + 0 0 179 -2,-0.1 2,-0.2 -31,-0.1 -1,-0.1 -0.422 54.3 174.6 -66.4 124.3 7.9 58.3 0.0 58 92 A A - 0 0 31 -46,-0.3 2,-0.4 -2,-0.2 13,-0.2 -0.754 29.2-110.6-123.5 170.5 8.3 61.1 -2.4 59 93 A Q E -H 70 0B 109 11,-2.8 11,-3.0 -2,-0.2 2,-0.4 -0.897 23.4-159.6-109.1 135.7 7.6 61.6 -6.1 60 94 A L E +H 69 0B 38 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.937 12.1 175.8-113.2 131.5 10.4 62.0 -8.7 61 95 A T E -H 68 0B 57 7,-2.0 7,-2.6 -2,-0.4 2,-0.4 -0.992 12.4-152.2-135.3 144.9 9.8 63.5 -12.2 62 96 A E E +H 67 0B 106 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.904 15.0 170.8-124.3 143.9 12.3 64.3 -14.9 63 97 A T - 0 0 82 3,-2.9 -2,-0.0 -2,-0.4 5,-0.0 -0.801 52.2 -83.6-135.6-179.9 12.6 66.8 -17.7 64 98 A E S S+ 0 0 85 -2,-0.2 3,-0.0 1,-0.2 -1,-0.0 0.878 125.5 13.4 -53.7 -42.6 15.2 67.9 -20.2 65 99 A N S S+ 0 0 109 15,-0.1 15,-3.0 1,-0.0 16,-0.4 0.439 123.7 49.5-117.6 -3.5 16.9 70.3 -17.8 66 100 A H E - 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0 0 49 -2,-0.3 2,-1.1 -3,-0.1 3,-0.1 -0.288 26.3-142.8 -56.6 132.7 22.7 96.0 43.9 485 520 A D > - 0 0 69 1,-0.2 4,-2.7 -9,-0.2 5,-0.2 -0.829 23.4-167.8 -92.7 94.3 21.0 98.1 41.2 486 521 A K H > S+ 0 0 60 -2,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.886 77.6 47.1 -59.3 -47.3 17.7 97.9 43.0 487 522 A E H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 114.9 47.5 -62.7 -41.0 15.4 99.3 40.2 488 523 A M H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.920 111.3 51.2 -62.8 -45.8 17.1 97.1 37.6 489 524 A Y H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.920 110.6 48.5 -58.9 -45.8 16.8 94.0 39.8 490 525 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.955 112.0 48.3 -61.5 -51.5 13.1 94.6 40.4 491 526 A R H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.882 111.5 51.5 -55.1 -40.1 12.4 95.1 36.7 492 527 A W H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.921 111.5 45.3 -68.1 -41.7 14.4 91.9 35.9 493 528 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.741 111.2 54.2 -76.2 -21.0 12.4 89.8 38.4 494 529 A Q H >X S+ 0 0 1 -4,-1.9 3,-1.1 -5,-0.2 4,-0.5 0.931 110.4 45.3 -70.2 -49.3 9.1 91.3 37.2 495 530 A Y H >< S+ 0 0 4 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.891 103.4 69.2 -55.4 -38.7 9.9 90.3 33.6 496 531 A G H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.796 87.7 62.7 -52.3 -34.1 11.0 87.0 35.1 497 532 A V H << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.821 106.2 46.5 -62.8 -28.3 7.4 86.1 36.0 498 533 A F T << S+ 0 0 2 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 -0.133 101.3 74.6-111.8 33.3 6.5 86.2 32.2 499 534 A Q S < S- 0 0 0 -3,-1.3 -27,-0.1 77,-0.1 -29,-0.1 -0.920 93.7 -90.4-142.6 168.6 9.4 84.1 30.8 500 535 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -28,-0.1 0.737 100.3 28.6 -63.6 -37.2 10.0 80.4 30.9 501 536 A V - 0 0 0 -30,-0.2 2,-1.5 -28,-0.1 -28,-0.3 -0.980 65.0-142.4-131.1 128.1 12.1 79.6 34.1 502 537 A Y B +q 231 0D 0 -272,-0.6 -270,-2.2 -2,-0.4 -28,-0.1 -0.592 47.6 139.7 -90.9 82.6 12.0 81.6 37.3 503 538 A R - 0 0 0 -2,-1.5 -28,-1.7 -30,-0.4 2,-0.2 -0.752 32.5-167.5-133.6 84.8 15.6 81.4 38.4 504 539 A P B +f 475 0L 1 0, 0.0 -270,-0.3 0, 0.0 2,-0.3 -0.514 25.3 164.4 -63.0 137.0 17.3 84.5 39.9 505 540 A H + 0 0 3 -30,-1.1 2,-0.3 -2,-0.2 -270,-0.2 -0.942 4.3 141.8-161.4 135.3 21.1 83.8 39.9 506 541 A G - 0 0 0 -2,-0.3 -270,-2.5 -272,-0.1 6,-0.2 -0.987 56.5 -65.2-167.8 166.2 24.2 85.9 40.3 507 542 A Q B > -w 236 0F 30 -29,-2.2 3,-1.6 -2,-0.3 -270,-0.2 -0.440 55.7-120.8 -62.9 136.1 27.7 86.1 41.8 508 543 A D T 3 S+ 0 0 34 -272,-2.7 -1,-0.1 1,-0.3 -271,-0.1 0.340 98.0 85.4 -78.1 7.7 27.2 86.0 45.6 509 544 A H T 3 S+ 0 0 95 1,-0.2 -1,-0.3 -273,-0.2 -2,-0.1 0.655 103.7 37.6 -73.6 -14.0 28.9 89.4 46.5 510 545 A I S < S- 0 0 5 -3,-1.6 -1,-0.2 -27,-0.1 -27,-0.1 -0.994 103.8-111.2-131.9 127.7 25.4 90.7 45.7 511 546 A P - 0 0 40 0, 0.0 -4,-0.1 0, 0.0 -6,-0.1 -0.340 27.7-174.5 -64.2 136.1 22.3 88.6 46.7 512 547 A S + 0 0 2 -6,-0.2 -7,-0.1 -278,-0.2 -277,-0.1 0.723 57.9 90.3 -95.9 -26.2 20.4 87.1 43.7 513 548 A E S > S- 0 0 0 1,-0.1 3,-1.5 -7,-0.1 -280,-0.1 -0.481 74.8-135.6 -76.1 138.3 17.5 85.6 45.7 514 549 A P G > S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.752 100.6 67.7 -65.3 -22.0 14.4 87.8 46.2 515 550 A V G 3 S+ 0 0 1 1,-0.3 7,-0.1 -268,-0.1 -2,-0.0 0.655 95.0 57.5 -72.3 -16.3 14.2 86.8 49.9 516 551 A F G < S+ 0 0 69 -3,-1.5 -1,-0.3 6,-0.0 2,-0.2 0.055 89.9 101.4 -99.1 24.6 17.5 88.6 50.6 517 552 A Q S < S- 0 0 15 -3,-1.2 -5,-0.0 1,-0.2 -4,-0.0 -0.497 79.5 -83.7-104.9 173.9 16.2 92.0 49.4 518 553 A D > - 0 0 74 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.205 46.9 -97.1 -74.7 171.1 15.0 95.1 51.2 519 554 A E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 122.4 48.7 -58.9 -43.7 11.4 95.5 52.4 520 555 A E H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.902 112.0 49.8 -62.0 -43.2 10.2 97.5 49.5 521 556 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.926 113.9 44.7 -61.2 -46.9 11.7 95.1 47.0 522 557 A K H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.874 108.7 56.7 -66.5 -36.9 10.1 92.1 48.7 523 558 A A H < S+ 0 0 63 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.853 114.4 40.8 -64.2 -31.8 6.8 93.9 49.0 524 559 A I H X S+ 0 0 19 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.904 121.7 38.4 -78.2 -45.8 6.8 94.3 45.3 525 560 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.808 100.4 70.8 -82.7 -29.9 8.1 90.9 44.3 526 561 A R H X S+ 0 0 49 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.942 101.6 43.9 -56.8 -52.3 6.4 88.6 46.8 527 562 A P H > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.806 114.7 53.0 -65.4 -23.9 2.9 89.0 45.2 528 563 A L H X S+ 0 0 12 -4,-0.6 4,-2.1 -3,-0.2 -2,-0.2 0.865 108.1 47.2 -74.2 -40.0 4.5 88.6 41.8 529 564 A V H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -3,-0.2 0.919 113.7 50.4 -66.9 -37.4 6.3 85.3 42.6 530 565 A K H X S+ 0 0 58 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.912 106.1 55.4 -64.1 -38.5 2.9 84.2 44.1 531 566 A L H X S+ 0 0 10 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.905 101.1 58.4 -57.3 -44.5 1.3 85.2 40.8 532 567 A R H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.922 110.7 42.9 -48.2 -46.6 3.7 83.0 39.0 533 568 A Y H >< S+ 0 0 2 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.894 110.9 53.4 -71.7 -39.2 2.3 80.1 41.1 534 569 A R H 3< S+ 0 0 93 -4,-2.6 106,-2.1 1,-0.3 -1,-0.2 0.868 108.9 52.2 -63.0 -32.9 -1.3 81.1 40.8 535 570 A M T >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.9 0.305 73.3 113.6 -85.2 6.9 -0.8 81.2 37.0 536 571 A L H <> S+ 0 0 0 -3,-1.6 4,-3.2 1,-0.2 5,-0.4 0.875 72.5 57.1 -49.8 -39.0 0.6 77.6 36.8 537 572 A P H 3> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 135,-0.4 0.907 110.2 45.6 -61.5 -35.9 -2.4 76.4 34.9 538 573 A Y H <> S+ 0 0 22 -3,-0.9 4,-1.7 100,-0.6 -2,-0.2 0.934 118.8 40.3 -66.0 -47.2 -1.7 79.0 32.2 539 574 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -3,-0.2 0.932 114.7 50.5 -71.1 -44.7 2.0 78.3 32.0 540 575 A Y H X S+ 0 0 2 -4,-3.2 4,-2.2 -5,-0.3 -1,-0.2 0.819 108.9 53.6 -65.5 -30.4 1.8 74.5 32.3 541 576 A T H X S+ 0 0 12 -4,-1.2 4,-2.3 -5,-0.4 -1,-0.2 0.897 107.5 49.8 -70.1 -39.2 -0.8 74.5 29.5 542 577 A A H X S+ 0 0 11 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.870 110.0 52.6 -62.3 -36.1 1.6 76.5 27.3 543 578 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 106.4 52.3 -64.2 -47.2 4.2 73.9 28.2 544 579 A Y H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 109.6 49.0 -51.7 -48.2 1.9 71.2 27.1 545 580 A Q H X S+ 0 0 48 -4,-2.3 4,-2.6 1,-0.2 6,-0.8 0.854 108.2 54.8 -63.8 -33.7 1.4 72.9 23.7 546 581 A N H X S+ 0 0 5 -4,-1.9 4,-1.9 4,-0.2 -325,-0.4 0.899 109.2 46.9 -65.9 -39.5 5.1 73.2 23.4 547 582 A T H < S+ 0 0 24 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.887 116.9 45.2 -68.0 -36.8 5.5 69.5 23.9 548 583 A L H < S+ 0 0 55 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.885 137.0 2.2 -71.1 -40.8 2.7 68.9 21.4 549 584 A T H < S- 0 0 25 -4,-2.6 -334,-0.2 -5,-0.1 -3,-0.2 0.399 91.6-109.2-135.8 -1.5 3.7 71.3 18.6 550 585 A G < + 0 0 3 -4,-1.9 -4,-0.2 -5,-0.4 -83,-0.2 0.414 60.0 159.9 79.8 -3.3 6.9 73.0 19.4 551 586 A M - 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