==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-OCT-04 1W9U . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,M.HODKINSON,D.J.A . 797 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.3 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 . 57 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 3 5 2 0 1 1 2 0 2 0 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 6 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 PARALLEL BRIDGES PER LADDER . 4 1 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 2 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 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 39 A A 0 0 123 0, 0.0 2,-0.3 0, 0.0 374,-0.2 0.000 360.0 360.0 360.0 -63.7 76.8 54.1 17.6 2 40 A S B -A 374 0A 63 372,-1.9 372,-3.0 370,-0.0 2,-0.0 -0.989 360.0-112.5-157.3 150.2 77.9 57.6 18.7 3 41 A S + 0 0 113 -2,-0.3 2,-0.3 370,-0.2 372,-0.0 -0.318 53.3 117.3 -75.7 163.1 78.6 61.2 17.5 4 42 A G - 0 0 29 248,-0.1 368,-0.3 369,-0.1 369,-0.2 -0.979 60.3 -32.4 165.9-169.3 82.1 62.6 17.5 5 43 A Y B -b 372 0B 41 366,-2.2 368,-3.2 -2,-0.3 2,-0.3 -0.386 49.4-137.6 -76.1 152.6 84.9 63.9 15.3 6 44 A R E -c 342 0C 19 335,-1.7 337,-2.5 366,-0.2 2,-0.4 -0.807 5.8-157.9-107.5 150.7 85.7 62.6 11.9 7 45 A S E +c 343 0C 1 -2,-0.3 25,-2.9 335,-0.2 26,-2.0 -0.925 24.0 179.8-130.8 101.5 89.2 61.9 10.6 8 46 A V E +cd 344 33C 0 335,-3.0 337,-1.8 -2,-0.4 2,-0.4 -0.864 8.6 176.3-112.6 136.4 89.1 62.0 6.8 9 47 A V E -cd 345 34C 0 24,-2.0 26,-2.7 -2,-0.4 2,-0.4 -0.998 25.3-128.8-141.4 145.2 91.8 61.5 4.3 10 48 A Y E - d 0 35C 0 335,-2.1 338,-3.0 -2,-0.4 2,-0.5 -0.750 15.2-166.3 -89.1 133.6 92.0 61.3 0.5 11 49 A F E - d 0 36C 0 24,-2.7 26,-2.3 -2,-0.4 2,-0.4 -0.988 14.1-152.1-115.6 118.1 93.8 58.3 -1.1 12 50 A V E > - d 0 37C 0 -2,-0.5 3,-2.3 24,-0.2 4,-0.2 -0.785 13.4-135.7 -93.7 134.0 94.4 59.1 -4.7 13 51 A N G > S+ 0 0 6 24,-3.0 3,-0.7 -2,-0.4 25,-0.1 0.686 103.2 61.2 -64.9 -14.1 94.6 56.1 -7.0 14 52 A W G > S+ 0 0 87 23,-0.2 3,-1.4 1,-0.2 5,-0.5 0.452 80.0 88.5 -88.0 1.5 97.7 57.4 -8.8 15 53 A A G < S+ 0 0 0 -3,-2.3 6,-2.8 1,-0.3 -1,-0.2 0.728 74.0 69.5 -69.1 -20.0 99.6 57.3 -5.5 16 54 A I G < S+ 0 0 9 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.615 97.5 57.3 -73.5 -10.5 100.6 53.7 -6.2 17 55 A Y S X S- 0 0 97 -3,-1.4 3,-1.7 4,-0.1 -2,-0.1 0.698 123.7 -6.8 -87.9-111.4 102.9 54.9 -9.0 18 56 A G T 3 S+ 0 0 54 1,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.850 134.7 55.1 -55.5 -38.1 105.7 57.5 -8.4 19 57 A R T 3 S- 0 0 51 -5,-0.5 -1,-0.3 2,-0.1 -3,-0.1 0.629 94.8-146.5 -71.2 -13.0 104.6 58.1 -4.8 20 58 A N < + 0 0 123 -3,-1.7 2,-0.5 1,-0.2 -4,-0.2 0.872 47.9 143.8 46.8 45.2 104.9 54.3 -4.2 21 59 A H - 0 0 17 -6,-2.8 -1,-0.2 -7,-0.1 -2,-0.1 -0.963 25.6-179.2-119.4 126.4 102.0 54.6 -1.7 22 60 A N > - 0 0 18 -2,-0.5 3,-2.7 -3,-0.1 4,-0.4 -0.810 43.3-101.3-123.5 163.1 99.3 51.9 -1.4 23 61 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.835 117.3 67.3 -50.8 -35.6 96.2 51.4 0.7 24 62 A Q G 3 S+ 0 0 79 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.695 94.1 60.7 -59.1 -19.0 98.1 49.1 3.1 25 63 A D G < S+ 0 0 94 -3,-2.7 -1,-0.3 2,-0.1 -4,-0.0 0.586 78.3 115.0 -84.4 -13.0 100.0 52.2 4.1 26 64 A L S < S- 0 0 10 -3,-2.1 2,-2.1 -4,-0.4 3,-0.2 -0.302 74.4-125.5 -61.7 139.6 97.0 54.1 5.4 27 65 A P > + 0 0 30 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.428 43.4 168.8 -82.8 63.8 96.8 54.8 9.1 28 66 A V G > + 0 0 17 -2,-2.1 3,-1.2 1,-0.3 -2,-0.0 0.731 65.6 61.9 -52.6 -31.2 93.5 53.1 9.4 29 67 A E G 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.2 -3,-0.0 0.742 108.3 45.3 -70.2 -18.2 93.3 53.0 13.2 30 68 A R G < S+ 0 0 86 -3,-2.2 2,-0.3 338,-0.0 -1,-0.2 0.195 104.6 78.2-108.4 16.0 93.4 56.8 13.2 31 69 A L < - 0 0 0 -3,-1.2 -23,-0.2 1,-0.1 3,-0.1 -0.907 44.6-175.8-126.3 152.9 90.8 57.3 10.4 32 70 A T S S+ 0 0 0 -25,-2.9 59,-2.8 1,-0.3 2,-0.3 0.619 80.1 25.7-112.4 -27.8 87.0 57.2 10.2 33 71 A H E -de 8 91C 0 -26,-2.0 -24,-2.0 57,-0.2 2,-0.4 -0.998 55.0-165.6-143.5 138.2 86.8 57.9 6.4 34 72 A V E -de 9 92C 0 57,-2.6 59,-2.7 -2,-0.3 2,-0.7 -0.984 14.3-152.1-119.3 129.9 89.0 57.4 3.3 35 73 A L E -de 10 93C 0 -26,-2.7 -24,-2.7 -2,-0.4 2,-0.8 -0.926 10.4-149.2-105.4 114.5 87.9 59.2 0.1 36 74 A Y E -de 11 94C 2 57,-3.1 59,-3.2 -2,-0.7 2,-0.3 -0.757 30.3-117.3 -88.7 110.1 89.1 57.2 -2.9 37 75 A A E +de 12 95C 0 -26,-2.3 -24,-3.0 -2,-0.8 -23,-0.2 -0.804 58.0 4.2-109.6 146.3 89.9 59.6 -5.8 38 76 A F E + 0 0 13 57,-0.6 13,-0.5 -2,-0.3 2,-0.3 0.585 37.6 167.2-134.3 146.6 88.8 60.2 -8.5 39 77 A A E -Fe 50 96C 0 56,-2.3 58,-2.3 -3,-0.2 11,-0.2 -0.683 33.3-138.6 -92.5 154.4 86.0 58.8 -10.6 40 78 A N E -F 49 0C 16 9,-2.7 9,-2.4 -2,-0.3 2,-0.4 -0.570 6.8-133.1-106.8 174.6 85.1 60.8 -13.7 41 79 A V E -F 48 0C 0 7,-0.2 7,-0.2 60,-0.2 6,-0.1 -0.997 12.6-128.0-133.8 134.3 81.8 61.8 -15.2 42 80 A R > - 0 0 118 5,-2.9 4,-3.0 -2,-0.4 3,-0.3 -0.713 19.1-150.5 -79.8 119.0 80.6 61.6 -18.8 43 81 A P T 4 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 71,-0.0 0.811 90.8 47.0 -60.9 -33.4 79.1 65.0 -19.7 44 82 A E T 4 S+ 0 0 172 1,-0.1 70,-0.0 3,-0.1 -2,-0.0 0.760 128.9 20.1 -82.5 -24.7 76.6 63.8 -22.2 45 83 A T T 4 S- 0 0 66 -3,-0.3 72,-0.2 2,-0.1 -1,-0.1 0.614 92.4-124.9-119.0 -18.1 75.1 61.0 -20.2 46 84 A G < + 0 0 0 -4,-3.0 2,-0.2 1,-0.3 75,-0.1 0.519 52.3 159.5 83.3 5.1 76.0 61.7 -16.6 47 85 A E - 0 0 82 -5,-0.3 -5,-2.9 -6,-0.1 2,-0.4 -0.421 32.0-146.9 -66.2 131.4 77.7 58.3 -16.3 48 86 A V E +F 41 0C 2 69,-0.4 2,-0.3 70,-0.3 -7,-0.2 -0.847 27.1 174.5 -97.4 132.3 80.2 58.1 -13.4 49 87 A Y E -F 40 0C 52 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.1 -0.988 35.0-103.4-144.4 153.9 83.1 55.8 -14.1 50 88 A M E -F 39 0C 41 -2,-0.3 3,-0.2 -11,-0.2 -11,-0.2 -0.463 26.3-151.7 -72.4 145.0 86.4 54.6 -12.6 51 89 A T S S+ 0 0 45 -13,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.458 77.0 34.7-101.6 -2.8 89.5 56.2 -14.2 52 90 A D > - 0 0 38 1,-0.1 4,-3.0 2,-0.0 5,-0.2 -0.644 55.8-175.9-153.4 88.3 92.3 53.6 -13.9 53 91 A S H >>S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-1.4 0.864 85.7 53.3 -56.8 -38.5 91.3 50.0 -14.1 54 92 A W H >>S+ 0 0 110 3,-0.2 5,-2.8 1,-0.2 4,-0.8 0.966 115.7 38.3 -62.7 -51.5 94.8 48.7 -13.4 55 93 A A H 45S+ 0 0 0 3,-0.2 21,-2.9 1,-0.1 22,-0.2 0.918 122.8 44.2 -64.0 -43.4 95.2 50.8 -10.2 56 94 A D H <5S- 0 0 1 -4,-3.0 21,-2.3 19,-0.2 22,-0.4 0.944 137.2 -8.7 -70.1 -50.8 91.6 50.2 -9.1 57 95 A I H <5S+ 0 0 41 -4,-2.7 17,-2.2 -5,-0.2 18,-0.2 0.510 123.5 55.8-132.5 -3.1 91.0 46.5 -9.8 58 96 A E T << + 0 0 88 -5,-1.4 -4,-0.2 -4,-0.8 -3,-0.2 0.785 67.8 106.1-104.7 -32.3 93.8 44.8 -11.7 59 97 A K < - 0 0 33 -5,-2.8 16,-2.6 -6,-0.2 2,-0.7 -0.256 60.9-142.3 -54.2 129.3 97.1 45.3 -9.7 60 98 A H - 0 0 46 14,-0.2 -1,-0.1 4,-0.0 3,-0.1 -0.854 20.1-176.3 -99.8 115.4 98.1 42.1 -8.0 61 99 A Y > - 0 0 17 -2,-0.7 3,-2.0 1,-0.2 2,-0.1 -0.422 49.7 -63.4 -94.9 176.5 99.7 42.6 -4.6 62 100 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.412 129.6 33.5 -62.4 137.5 101.1 39.7 -2.5 63 101 A G T 3 S+ 0 0 76 1,-0.3 2,-0.7 -3,-0.1 -3,-0.0 0.337 90.0 119.8 97.7 -7.4 98.2 37.3 -1.7 64 102 A D < - 0 0 11 -3,-2.0 -1,-0.3 2,-0.0 2,-0.1 -0.846 59.2-139.3 -95.9 113.3 96.5 38.1 -5.0 65 103 A S - 0 0 30 -2,-0.7 -4,-0.1 1,-0.1 -1,-0.0 -0.394 16.1-163.6 -73.7 146.0 96.2 34.9 -7.1 66 104 A W S S+ 0 0 213 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.635 91.1 45.1 -97.8 -20.3 96.8 34.8 -10.8 67 105 A S S S+ 0 0 101 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.491 77.2 118.6-104.1 -6.4 95.1 31.5 -11.3 68 106 A D - 0 0 106 1,-0.1 4,-0.2 4,-0.0 2,-0.1 -0.382 59.2-131.7 -63.4 138.2 91.9 31.8 -9.2 69 107 A T + 0 0 132 2,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.397 60.0 55.7 -87.1 167.7 88.7 31.5 -11.4 70 108 A G S S- 0 0 52 -2,-0.1 2,-1.1 1,-0.1 316,-0.1 -0.388 98.5 -55.7 103.4 175.7 85.7 33.8 -11.4 71 109 A N S S+ 0 0 73 314,-0.2 316,-1.7 -2,-0.1 317,-0.4 -0.785 71.3 178.6 -96.0 91.2 85.2 37.5 -11.8 72 110 A N - 0 0 29 -2,-1.1 2,-0.4 314,-0.2 -2,-0.1 -0.745 25.9-143.1-106.7 146.2 87.6 38.9 -9.2 73 111 A V + 0 0 0 -2,-0.3 -15,-0.1 1,-0.1 2,-0.1 -0.855 30.7 152.2-103.5 133.9 88.6 42.4 -8.0 74 112 A Y > + 0 0 18 -17,-2.2 4,-2.2 -2,-0.4 3,-0.3 -0.060 33.6 79.3-126.1-129.9 92.2 43.1 -6.9 75 113 A G H > S- 0 0 0 -16,-2.6 4,-1.3 -18,-0.2 -19,-0.2 -0.042 110.9 -34.3 54.2-157.8 94.0 46.4 -7.1 76 114 A C H > S+ 0 0 0 -21,-2.9 4,-2.4 1,-0.2 5,-0.2 0.842 134.9 64.7 -65.1 -35.2 93.4 49.1 -4.6 77 115 A I H > S+ 0 0 1 -21,-2.3 4,-2.1 -3,-0.3 -1,-0.2 0.909 102.1 46.8 -56.6 -47.5 89.7 48.2 -4.2 78 116 A K H X S+ 0 0 14 -4,-2.2 4,-2.2 -22,-0.4 -1,-0.2 0.922 112.4 50.6 -62.4 -42.8 90.5 44.8 -2.8 79 117 A Q H X S+ 0 0 19 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.881 109.9 49.8 -62.4 -39.2 93.0 46.2 -0.3 80 118 A L H X S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.886 109.1 51.6 -67.5 -39.0 90.6 48.8 0.9 81 119 A Y H X S+ 0 0 2 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.920 108.8 51.7 -64.5 -41.1 87.9 46.2 1.4 82 120 A L H >X S+ 0 0 36 -4,-2.2 4,-1.0 1,-0.2 3,-0.5 0.881 107.2 52.7 -62.6 -36.1 90.4 44.2 3.5 83 121 A L H 3X S+ 0 0 23 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.835 101.3 61.4 -67.6 -31.7 91.1 47.2 5.6 84 122 A K H 3< S+ 0 0 1 -4,-1.6 6,-0.3 1,-0.2 -1,-0.2 0.801 102.0 51.4 -64.6 -28.4 87.4 47.7 6.2 85 123 A K H << S+ 0 0 11 -4,-1.0 3,-0.3 -3,-0.5 -1,-0.2 0.785 108.7 52.0 -78.4 -26.6 87.4 44.2 7.9 86 124 A Q H < S+ 0 0 120 -4,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.799 122.1 28.3 -78.1 -31.7 90.3 45.3 10.1 87 125 A N >< - 0 0 24 -4,-1.8 3,-2.0 3,-0.1 -1,-0.3 -0.885 65.2-169.5-132.8 101.6 88.6 48.5 11.3 88 126 A R T 3 S+ 0 0 65 -2,-0.4 289,-2.8 1,-0.3 -1,-0.1 0.604 88.6 60.0 -66.0 -11.4 84.9 48.3 11.3 89 127 A N T 3 S+ 0 0 14 287,-0.2 2,-0.7 -58,-0.1 -1,-0.3 0.363 82.2 101.5 -96.6 5.2 84.8 52.1 12.0 90 128 A L < - 0 0 0 -3,-2.0 2,-0.4 -6,-0.3 -57,-0.2 -0.815 54.6-167.2 -93.9 115.2 86.6 52.8 8.7 91 129 A K E -e 33 0C 5 -59,-2.8 -57,-2.6 -2,-0.7 2,-0.5 -0.833 5.4-156.6-102.5 139.0 84.3 53.9 5.9 92 130 A V E -e 34 0C 2 -2,-0.4 40,-3.3 -59,-0.2 41,-0.7 -0.968 12.5-172.5-118.5 117.9 85.6 54.1 2.3 93 131 A L E -eg 35 133C 0 -59,-2.7 -57,-3.1 -2,-0.5 2,-0.5 -0.822 26.3-120.9-110.1 147.3 83.8 56.4 -0.1 94 132 A L E -eg 36 134C 0 39,-2.1 41,-3.0 -2,-0.3 2,-0.6 -0.747 28.1-144.9 -84.1 127.3 84.2 56.8 -3.8 95 133 A S E -eg 37 135C 0 -59,-3.2 -56,-2.3 -2,-0.5 -57,-0.6 -0.860 13.4-161.9 -98.1 126.3 85.3 60.4 -4.6 96 134 A I E +eg 39 136C 0 39,-3.3 41,-3.2 -2,-0.6 2,-0.5 -0.919 52.2 8.6-110.4 124.8 83.8 61.8 -7.8 97 135 A G E + g 0 137C 0 -58,-2.3 4,-0.4 -2,-0.5 41,-0.2 -0.943 51.9 173.7 123.0-128.1 85.3 64.8 -9.5 98 136 A G > - 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0 0 1 39,-2.5 4,-1.6 -2,-0.5 41,-0.4 -0.346 58.6 -55.7 98.0 175.7 79.3 6.0 -2.3 495 137 B W T 4 S+ 0 0 95 305,-0.7 3,-0.3 304,-0.2 -1,-0.2 0.937 131.1 43.1 -58.7 -55.4 77.7 4.5 -5.4 496 138 B T T 4 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.871 119.9 41.8 -62.9 -38.7 78.5 7.0 -8.1 497 139 B Y T >4 S+ 0 0 61 -4,-0.4 3,-2.4 1,-0.2 4,-0.3 0.671 87.5 92.5 -84.0 -17.8 82.1 7.6 -7.0 498 140 B S G >X + 0 0 7 -4,-1.6 3,-1.6 1,-0.3 4,-0.6 0.716 69.3 72.3 -52.1 -26.9 83.0 3.9 -6.3 499 141 B P G 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.727 93.1 61.1 -63.2 -13.7 84.4 3.2 -9.8 500 142 B N G <> S+ 0 0 36 -3,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.623 86.7 73.5 -86.3 -13.5 87.4 5.4 -8.7 501 143 B F H <> S+ 0 0 1 -3,-1.6 4,-2.9 -4,-0.3 5,-0.2 0.947 90.0 54.1 -67.0 -50.6 88.5 3.3 -5.8 502 144 B A H X S+ 0 0 26 -4,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.941 114.8 39.8 -51.2 -54.8 90.1 0.4 -7.7 503 145 B P H >4 S+ 0 0 55 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.955 116.5 50.3 -60.1 -51.0 92.4 2.6 -9.8 504 146 B A H >< S+ 0 0 3 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.884 116.0 40.6 -54.4 -45.7 93.2 4.9 -6.9 505 147 B A H 3< S+ 0 0 1 -4,-2.9 -1,-0.3 1,-0.2 -3,-0.1 0.446 92.7 88.7 -86.0 -0.0 94.1 2.1 -4.5 506 148 B S T << S+ 0 0 61 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 0.666 87.9 48.1 -72.7 -17.3 96.0 0.1 -7.2 507 149 B T S <> S- 0 0 71 -3,-0.6 4,-2.6 -4,-0.4 5,-0.2 -0.895 78.5-125.1-126.7 157.3 99.3 1.8 -6.5 508 150 B D H > S+ 0 0 74 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.865 114.5 49.2 -63.4 -39.0 101.4 2.7 -3.5 509 151 B A H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 110.9 50.5 -67.9 -42.2 101.5 6.3 -4.6 510 152 B G H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.949 112.1 46.0 -60.1 -50.3 97.8 6.4 -5.0 511 153 B R H X S+ 0 0 25 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 114.0 48.3 -59.7 -44.1 97.1 4.9 -1.6 512 154 B K H X S+ 0 0 101 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.874 112.5 47.8 -66.4 -37.3 99.5 7.2 0.1 513 155 B N H X S+ 0 0 50 -4,-2.4 4,-3.1 2,-0.2 -69,-0.4 0.854 108.1 56.1 -72.4 -32.8 98.1 10.3 -1.6 514 156 B F H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 -70,-0.3 0.972 112.0 43.0 -60.1 -51.9 94.6 9.2 -0.7 515 157 B A H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.907 115.8 48.5 -60.3 -44.9 95.6 9.1 3.0 516 158 B K H X S+ 0 0 154 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.942 115.7 41.9 -62.9 -50.0 97.5 12.3 2.8 517 159 B T H X S+ 0 0 24 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.876 114.3 52.0 -67.0 -36.9 94.8 14.3 1.0 518 160 B A H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.904 110.6 47.0 -67.0 -40.4 92.0 12.8 3.2 519 161 B V H X S+ 0 0 9 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.815 106.7 59.4 -70.7 -28.9 93.8 13.7 6.4 520 162 B K H X S+ 0 0 95 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.928 105.4 48.7 -63.1 -44.1 94.4 17.2 5.0 521 163 B L H X S+ 0 0 26 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.893 110.7 51.8 -61.5 -40.4 90.6 17.6 4.7 522 164 B L H X>S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 5,-1.1 0.928 109.2 48.1 -63.1 -45.8 90.3 16.3 8.3 523 165 B Q H <5S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.807 120.2 38.9 -67.3 -28.2 92.8 18.8 9.7 524 166 B D H <5S+ 0 0 5 -4,-1.8 258,-0.3 -5,-0.2 -2,-0.2 0.881 121.1 39.4 -87.2 -43.0 91.2 21.7 7.9 525 167 B L H <5S- 0 0 9 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.380 106.6-111.7 -94.1 3.3 87.5 20.9 8.2 526 168 B G T <5 + 0 0 2 -4,-1.2 2,-0.2 1,-0.2 -38,-0.2 0.830 53.0 165.8 75.3 35.8 87.3 19.6 11.8 527 169 B F < - 0 0 2 -5,-1.1 -38,-0.2 -6,-0.2 -1,-0.2 -0.529 37.0-149.6 -87.4 152.2 86.6 15.9 11.3 528 170 B D S S- 0 0 2 -40,-3.3 43,-2.5 1,-0.2 2,-0.3 0.431 74.5 -38.9 -94.7 -2.7 86.9 13.2 14.0 529 171 B G E -vw 489 571G 0 -41,-0.7 -39,-2.0 41,-0.3 2,-0.4 -0.985 63.4 -85.0 167.7-171.6 87.7 10.5 11.4 530 172 B L E -vw 490 572G 0 41,-2.4 43,-2.4 -2,-0.3 2,-0.4 -0.980 20.3-159.7-132.2 140.3 87.1 9.0 8.0 531 173 B D E -vw 491 573G 0 -41,-3.0 -39,-3.3 -2,-0.4 2,-0.6 -0.966 11.5-153.6-118.1 131.5 84.5 6.6 6.7 532 174 B I E -vw 492 574G 1 41,-2.7 43,-1.5 -2,-0.4 2,-0.7 -0.929 9.5-173.4-113.3 120.5 85.2 4.7 3.4 533 175 B D E +v 493 0G 0 -41,-3.3 -39,-2.5 -2,-0.6 2,-0.8 -0.772 9.8 173.0-113.0 85.1 82.3 3.5 1.3 534 176 B W - 0 0 9 -2,-0.7 2,-0.6 41,-0.4 -39,-0.1 -0.840 25.4-143.7 -96.0 110.2 83.7 1.4 -1.5 535 177 B E S S- 0 0 14 -2,-0.8 -37,-0.1 -41,-0.4 -2,-0.0 -0.801 72.6 -21.0-114.1 89.6 80.7 -0.2 -3.4 536 178 B Y - 0 0 64 -2,-0.6 -1,-0.3 46,-0.1 40,-0.0 0.690 46.4-138.3-150.4 158.7 82.3 -2.7 -3.8 537 179 B P - 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0 0 3 -289,-2.7 2,-0.5 -293,-0.2 -286,-0.1 -0.250 26.7-100.5 -82.3 179.8 85.3 14.3 20.1 774 416 B E + 0 0 27 1,-0.1 -1,-0.1 -248,-0.1 -294,-0.0 -0.903 36.5 170.9-107.5 129.6 88.2 16.7 19.0 775 417 B L + 0 0 37 -2,-0.5 2,-0.6 1,-0.1 13,-0.2 0.575 55.2 87.6-109.4 -14.5 87.6 20.4 18.9 776 418 B D + 0 0 86 -211,-0.1 10,-0.1 11,-0.1 11,-0.1 -0.788 38.1 165.1 -96.8 118.6 91.2 21.6 18.4 777 419 B Y > + 0 0 0 -2,-0.6 3,-1.5 8,-0.3 11,-0.1 -0.704 6.5 173.5-129.5 76.4 92.5 21.9 14.8 778 420 B P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.626 77.1 44.3 -58.1 -24.4 95.7 24.0 15.2 779 421 B V T 3 S+ 0 0 57 -256,-0.2 2,-0.2 -215,-0.1 -256,-0.1 0.108 78.7 133.5-113.1 23.1 96.8 23.7 11.6 780 422 B S < - 0 0 2 -3,-1.5 -256,-0.2 1,-0.1 6,-0.1 -0.543 55.5-140.2 -73.5 136.2 93.5 24.3 9.8 781 423 B Q S S+ 0 0 89 -2,-0.2 2,-0.7 4,-0.0 -314,-0.3 0.705 84.5 86.6 -68.1 -19.1 93.7 26.8 6.9 782 424 B Y > - 0 0 26 -258,-0.3 4,-2.8 1,-0.2 -314,-0.2 -0.759 66.4-159.2 -89.5 115.0 90.4 28.3 8.1 783 425 B D H > S+ 0 0 38 -316,-2.3 4,-1.4 -2,-0.7 6,-0.2 0.871 89.2 53.6 -59.1 -42.8 90.9 30.9 10.8 784 426 B N H 4>S+ 0 0 13 -317,-0.6 5,-2.8 1,-0.2 6,-0.4 0.886 115.9 38.7 -63.6 -37.9 87.4 30.7 12.2 785 427 B L H >45S+ 0 0 1 3,-0.2 3,-2.2 1,-0.2 -8,-0.3 0.897 111.5 56.3 -79.2 -41.8 87.6 26.9 12.7 786 428 B R H 3<5S+ 0 0 75 -4,-2.8 -9,-0.2 1,-0.3 -1,-0.2 0.785 108.3 52.0 -59.5 -26.2 91.2 26.9 13.9 787 429 B N T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.166 127.2 -97.5 -96.8 15.7 90.1 29.4 16.5 788 430 B G T < 5 - 0 0 13 -3,-2.2 -3,-0.2 -13,-0.2 -2,-0.1 0.642 59.2 -82.4 81.2 14.3 87.2 27.3 17.8 789 431 B M < 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 -4,-0.1 0.966 360.0 360.0 54.3 65.4 84.4 29.0 15.8 790 432 B Q 0 0 182 -6,-0.4 -1,-0.1 -3,-0.1 -3,-0.1 -0.351 360.0 360.0 -76.2 360.0 83.7 32.0 18.1 791 !* 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 0.0 792 1434 C X 0 0 167 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.1 95.6 72.7 -9.5 793 1435 C X - 0 0 74 1,-0.3 -510,-0.1 2,-0.1 -509,-0.1 0.352 360.0 -0.9 84.5 -13.8 98.8 71.0 -8.2 794 1436 C D 0 0 22 -586,-0.0 -1,-0.3 -533,-0.0 -695,-0.2 -0.358 360.0 360.0-160.7-106.1 96.8 69.0 -5.5 795 1437 C H 0 0 6 -3,-0.2 -696,-0.7 -2,-0.1 -2,-0.1 0.838 360.0 360.0 -77.3 360.0 93.2 68.9 -4.6 796 !* 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 0.0 797 1434 D X 0 0 157 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.7 71.5 3.0 -6.3 798 1435 D X + 0 0 58 1,-0.3 2,-0.1 2,-0.1 -118,-0.1 0.489 360.0 0.9 81.2 -3.4 68.7 5.4 -5.2 799 1436 D D 0 0 20 -195,-0.0 -1,-0.3 -142,-0.0 -304,-0.2 -0.493 360.0 360.0-167.4-108.4 70.2 5.9 -1.7 800 1437 D H 0 0 4 -3,-0.2 -305,-0.7 -2,-0.1 -2,-0.1 0.872 360.0 360.0 -75.7 360.0 73.3 4.5 -0.0