==== 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 09-MAR-08 3CH9 . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR O.A.ANDERSEN,D.M.F.VAN AALTEN . 789 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 6.8 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 59 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 24.2 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 4 2 1 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 0 6 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 . 0 0 0 0 2 0 0 0 2 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 0 132 0, 0.0 2,-0.3 0, 0.0 374,-0.2 0.000 360.0 360.0 360.0 -78.7 76.6 53.9 17.8 2 40 A S B -A 374 0A 66 372,-1.0 372,-2.5 370,-0.1 2,-0.1 -0.924 360.0-115.6-139.8 162.0 77.7 57.5 18.7 3 41 A S + 0 0 110 -2,-0.3 2,-0.3 370,-0.2 372,-0.0 -0.474 52.3 108.0 -86.6 159.2 78.5 61.1 17.5 4 42 A G - 0 0 33 -2,-0.1 368,-0.2 248,-0.1 2,-0.1 -0.985 63.4 -24.6 165.4-162.1 81.9 62.7 17.6 5 43 A Y B -b 372 0B 39 366,-2.3 368,-3.6 -2,-0.3 2,-0.3 -0.412 49.8-139.6 -78.5 153.6 84.8 64.0 15.4 6 44 A R E -c 342 0C 23 335,-1.7 337,-2.5 366,-0.2 2,-0.5 -0.836 4.4-157.2-109.1 150.0 85.6 62.6 12.0 7 45 A S E +c 343 0C 2 -2,-0.3 25,-3.1 335,-0.2 26,-2.0 -0.942 25.2 178.7-129.2 103.8 89.1 61.9 10.7 8 46 A V E +cd 344 33C 0 335,-3.1 337,-1.5 -2,-0.5 2,-0.3 -0.858 9.6 174.6-114.9 142.3 89.0 62.0 6.9 9 47 A V E -cd 345 34C 0 24,-1.6 26,-2.6 -2,-0.3 2,-0.4 -0.997 26.4-127.6-148.6 142.2 91.7 61.6 4.3 10 48 A Y E - d 0 35C 0 335,-2.2 338,-3.1 -2,-0.3 2,-0.5 -0.735 15.4-164.0 -87.6 134.2 91.9 61.3 0.6 11 49 A F E - d 0 36C 0 24,-2.5 26,-2.8 -2,-0.4 2,-0.5 -0.988 13.6-151.4-113.0 121.4 93.7 58.4 -0.9 12 50 A V E > - d 0 37C 0 -2,-0.5 3,-2.2 24,-0.2 4,-0.2 -0.830 11.7-137.4 -97.2 132.6 94.5 59.2 -4.6 13 51 A N G > S+ 0 0 6 24,-2.9 3,-0.8 -2,-0.5 25,-0.1 0.678 101.0 62.6 -67.5 -12.5 94.7 56.1 -6.8 14 52 A W G > S+ 0 0 91 23,-0.3 3,-1.3 1,-0.2 5,-0.4 0.473 80.3 87.9 -86.7 2.1 97.8 57.4 -8.7 15 53 A A G < S+ 0 0 0 -3,-2.2 6,-3.1 1,-0.3 -1,-0.2 0.676 73.0 70.6 -70.2 -17.7 99.7 57.3 -5.4 16 54 A I G < S+ 0 0 9 -3,-0.8 -1,-0.3 4,-0.2 -2,-0.1 0.575 98.1 55.0 -75.8 -8.5 100.6 53.7 -6.0 17 55 A Y S X S- 0 0 96 -3,-1.3 3,-1.5 4,-0.1 -2,-0.1 0.686 124.4 -5.2 -89.5-112.2 103.0 54.8 -8.8 18 56 A G T 3 S+ 0 0 52 1,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.854 135.3 52.9 -53.9 -42.3 105.7 57.4 -8.2 19 57 A R T 3 S- 0 0 39 -5,-0.4 -1,-0.3 2,-0.1 -3,-0.1 0.616 95.6-147.2 -70.9 -13.2 104.7 58.1 -4.6 20 58 A N < + 0 0 122 -3,-1.5 2,-0.5 1,-0.2 -4,-0.2 0.863 47.0 143.7 48.0 45.4 104.8 54.3 -4.0 21 59 A H - 0 0 18 -6,-3.1 -1,-0.2 -7,-0.1 -2,-0.1 -0.965 26.1-177.7-121.0 124.6 102.0 54.6 -1.5 22 60 A N > - 0 0 16 -2,-0.5 3,-2.5 -3,-0.1 4,-0.4 -0.751 42.6 -99.8-120.6 165.8 99.3 51.9 -1.2 23 61 A P G > S+ 0 0 0 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.870 117.2 66.3 -49.7 -41.1 96.1 51.4 0.8 24 62 A Q G 3 S+ 0 0 81 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.661 94.0 61.2 -56.5 -17.3 97.9 49.1 3.3 25 63 A D G < S+ 0 0 93 -3,-2.5 -1,-0.3 2,-0.1 -4,-0.0 0.603 77.7 116.0 -86.6 -11.6 100.0 52.2 4.3 26 64 A L S < S- 0 0 10 -3,-2.5 2,-2.4 -4,-0.4 3,-0.2 -0.301 74.4-125.0 -60.8 137.3 96.9 54.1 5.5 27 65 A P > + 0 0 29 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.384 44.5 168.6 -78.9 63.1 96.8 54.9 9.3 28 66 A V G > + 0 0 16 -2,-2.4 3,-1.1 1,-0.3 -2,-0.0 0.714 65.7 60.0 -55.7 -28.4 93.4 53.1 9.5 29 67 A E G 3 S+ 0 0 110 1,-0.2 -1,-0.3 -3,-0.2 -3,-0.0 0.743 108.7 47.3 -73.6 -14.9 93.1 53.0 13.3 30 68 A R G < S+ 0 0 87 -3,-2.3 2,-0.3 338,-0.0 -1,-0.2 0.221 104.1 78.1-107.1 14.2 93.3 56.8 13.3 31 69 A L < - 0 0 0 -3,-1.1 -23,-0.2 -4,-0.1 3,-0.1 -0.872 44.7-176.1-124.4 154.9 90.7 57.3 10.6 32 70 A T S S+ 0 0 0 -25,-3.1 59,-2.8 1,-0.4 2,-0.3 0.606 81.3 25.7-115.2 -26.4 86.9 57.3 10.3 33 71 A H E -de 8 91C 0 -26,-2.0 -24,-1.6 57,-0.2 2,-0.4 -0.998 54.7-166.5-144.6 137.6 86.7 57.9 6.5 34 72 A V E -de 9 92C 0 57,-2.4 59,-2.5 -2,-0.3 2,-0.7 -0.986 14.9-154.0-119.2 126.5 88.9 57.3 3.4 35 73 A L E -de 10 93C 0 -26,-2.6 -24,-2.5 -2,-0.4 2,-0.7 -0.918 9.8-147.2-106.2 110.9 87.9 59.1 0.2 36 74 A Y E -de 11 94C 1 57,-3.1 59,-3.0 -2,-0.7 2,-0.4 -0.693 30.2-117.0 -82.4 112.4 89.1 57.2 -2.8 37 75 A A E +de 12 95C 0 -26,-2.8 -24,-2.9 -2,-0.7 -23,-0.3 -0.846 59.6 2.3-110.2 140.4 89.9 59.7 -5.6 38 76 A F E + 0 0 19 57,-0.6 13,-0.5 -2,-0.4 2,-0.2 0.588 37.3 167.6-137.3 148.7 88.8 60.2 -8.3 39 77 A A E -Fe 50 96C 0 56,-2.4 58,-2.4 -3,-0.2 11,-0.2 -0.657 35.3-136.8 -92.4 156.5 86.0 58.7 -10.5 40 78 A N E -F 49 0C 14 9,-2.8 9,-2.5 -2,-0.2 2,-0.4 -0.596 6.3-131.1-109.2 174.5 85.2 60.8 -13.6 41 79 A V E -F 48 0C 2 7,-0.2 7,-0.2 60,-0.2 67,-0.1 -0.992 13.5-127.9-131.1 134.9 81.8 61.8 -15.2 42 80 A R > - 0 0 119 5,-2.7 4,-3.1 -2,-0.4 3,-0.4 -0.697 18.7-150.8 -79.2 114.8 80.7 61.6 -18.8 43 81 A P T 4 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 71,-0.0 0.770 92.1 47.3 -60.4 -24.8 79.4 65.1 -19.6 44 82 A E T 4 S+ 0 0 172 1,-0.1 70,-0.0 3,-0.1 -2,-0.0 0.772 128.2 20.1 -88.9 -24.9 76.9 63.8 -22.2 45 83 A T T 4 S- 0 0 64 -3,-0.4 72,-0.2 2,-0.1 3,-0.1 0.540 91.8-124.2-119.4 -13.4 75.4 61.0 -20.1 46 84 A G < + 0 0 0 -4,-3.1 2,-0.2 1,-0.3 75,-0.2 0.569 54.6 158.3 78.5 6.1 76.1 61.8 -16.5 47 85 A E - 0 0 81 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.4 -0.440 33.3-145.5 -68.3 134.9 77.8 58.4 -16.2 48 86 A V E +F 41 0C 3 69,-0.4 2,-0.3 70,-0.2 -7,-0.2 -0.844 26.8 175.2 -99.6 131.6 80.3 58.1 -13.3 49 87 A Y E -F 40 0C 52 -9,-2.5 -9,-2.8 -2,-0.4 2,-0.2 -0.990 35.6-107.6-144.0 153.0 83.2 55.8 -14.0 50 88 A M E -F 39 0C 41 -2,-0.3 3,-0.2 -11,-0.2 -11,-0.1 -0.554 27.2-153.4 -73.9 140.7 86.5 54.6 -12.6 51 89 A T S S+ 0 0 47 -13,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.536 75.7 34.5 -95.7 -10.7 89.5 56.1 -14.3 52 90 A D > - 0 0 38 1,-0.1 4,-2.9 2,-0.0 5,-0.2 -0.710 56.0-177.9-150.4 90.2 92.4 53.6 -13.9 53 91 A S H >>S+ 0 0 61 -2,-0.2 4,-2.9 2,-0.2 5,-1.7 0.849 83.1 57.0 -61.3 -37.3 91.4 49.9 -13.9 54 92 A W H >>S+ 0 0 110 3,-0.2 5,-3.0 1,-0.2 4,-0.9 0.981 115.9 36.4 -57.8 -53.8 94.9 48.6 -13.3 55 93 A A H 45S+ 0 0 0 3,-0.2 21,-2.6 1,-0.2 -2,-0.2 0.874 122.7 44.7 -66.3 -39.7 95.3 50.7 -10.1 56 94 A D H <5S- 0 0 1 -4,-2.9 21,-2.4 19,-0.2 22,-0.4 0.917 137.9 -9.0 -72.3 -46.3 91.6 50.2 -9.0 57 95 A I H <5S+ 0 0 40 -4,-2.9 17,-2.3 -5,-0.2 18,-0.2 0.544 123.3 56.3-135.6 -7.1 91.1 46.5 -9.7 58 96 A E T << + 0 0 92 -5,-1.7 -4,-0.2 -4,-0.9 -3,-0.2 0.781 68.7 106.1-102.1 -29.9 93.9 44.7 -11.5 59 97 A K < - 0 0 33 -5,-3.0 16,-2.7 -6,-0.3 2,-0.6 -0.274 61.0-143.0 -56.1 130.5 97.1 45.3 -9.6 60 98 A H - 0 0 44 14,-0.2 -1,-0.1 4,-0.0 3,-0.1 -0.846 18.6-175.0 -98.0 120.5 98.1 42.1 -7.8 61 99 A Y > - 0 0 16 -2,-0.6 3,-1.9 1,-0.2 2,-0.0 -0.512 49.6 -65.5 -99.5 176.1 99.7 42.6 -4.3 62 100 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.405 128.4 36.8 -61.6 138.8 101.1 39.7 -2.3 63 101 A G T 3 S+ 0 0 61 1,-0.2 2,-0.7 -3,-0.1 -3,-0.0 0.404 88.6 117.4 98.5 -3.9 98.2 37.4 -1.4 64 102 A D < - 0 0 12 -3,-1.9 -1,-0.2 331,-0.1 2,-0.1 -0.899 60.1-138.2-104.5 114.2 96.5 38.0 -4.8 65 103 A S - 0 0 35 -2,-0.7 -4,-0.1 1,-0.1 330,-0.0 -0.364 13.5-163.1 -68.7 143.1 96.2 34.7 -6.8 66 104 A W S S+ 0 0 214 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.624 91.2 47.6 -96.8 -21.1 96.8 34.8 -10.6 67 105 A S S S+ 0 0 105 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.433 77.1 121.7-102.4 -2.9 95.1 31.4 -11.1 68 106 A D - 0 0 78 1,-0.1 2,-0.2 4,-0.0 4,-0.1 -0.297 57.4-130.4 -61.5 146.2 91.8 31.8 -9.1 69 107 A T + 0 0 130 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.559 62.1 52.3 -93.6 164.3 88.6 31.4 -11.2 70 108 A G S S- 0 0 53 -2,-0.2 2,-1.0 317,-0.1 316,-0.1 -0.468 98.4 -56.7 106.5 176.5 85.8 33.8 -11.2 71 109 A N + 0 0 73 314,-0.2 316,-1.8 -2,-0.2 317,-0.4 -0.833 69.6 179.4 -99.3 92.4 85.3 37.5 -11.7 72 110 A N - 0 0 27 -2,-1.0 2,-0.4 314,-0.2 -2,-0.1 -0.799 25.4-143.7-108.6 141.4 87.6 38.9 -9.0 73 111 A V + 0 0 0 -2,-0.4 -15,-0.1 1,-0.1 2,-0.1 -0.809 30.8 153.0 -98.4 133.7 88.6 42.4 -7.9 74 112 A Y > + 0 0 21 -17,-2.3 4,-2.2 -2,-0.4 3,-0.3 -0.074 33.7 78.4-125.4-129.4 92.2 43.1 -6.8 75 113 A G H > S- 0 0 0 -16,-2.7 4,-1.2 -18,-0.2 -19,-0.2 -0.050 111.4 -33.6 54.6-155.8 94.0 46.4 -7.1 76 114 A C H > S+ 0 0 0 -21,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.854 134.6 64.6 -66.8 -35.6 93.4 49.2 -4.5 77 115 A I H > S+ 0 0 2 -21,-2.4 4,-2.2 -3,-0.3 5,-0.2 0.920 100.9 48.2 -56.1 -49.0 89.7 48.2 -4.1 78 116 A K H X S+ 0 0 2 -4,-2.2 4,-2.3 -22,-0.4 -1,-0.2 0.928 112.3 50.0 -58.7 -42.7 90.5 44.7 -2.7 79 117 A Q H X S+ 0 0 17 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.876 109.1 51.3 -64.9 -37.2 93.0 46.3 -0.2 80 118 A L H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.909 109.1 50.5 -67.0 -39.6 90.5 48.9 1.0 81 119 A Y H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 3,-0.2 0.924 108.8 52.2 -64.8 -42.1 87.8 46.2 1.6 82 120 A L H >X S+ 0 0 53 -4,-2.3 4,-0.8 1,-0.2 3,-0.8 0.895 107.3 52.4 -61.2 -38.3 90.3 44.2 3.6 83 121 A L H 3X S+ 0 0 22 -4,-1.9 4,-1.5 1,-0.3 3,-0.3 0.816 100.7 62.2 -66.4 -29.6 91.1 47.3 5.7 84 122 A K H 3< S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.2 6,-0.2 0.775 102.6 50.9 -67.9 -24.1 87.3 47.7 6.4 85 123 A K H << S+ 0 0 12 -4,-0.9 3,-0.3 -3,-0.8 -1,-0.2 0.730 107.9 52.2 -82.8 -22.0 87.5 44.3 8.1 86 124 A Q H < S+ 0 0 121 -4,-0.8 2,-0.3 -3,-0.3 -2,-0.2 0.764 123.0 27.9 -82.5 -26.4 90.4 45.4 10.3 87 125 A N >< - 0 0 21 -4,-1.5 3,-2.2 3,-0.1 -1,-0.3 -0.851 63.9-170.2-138.2 99.9 88.5 48.6 11.4 88 126 A R T 3 S+ 0 0 60 -2,-0.3 289,-2.6 1,-0.3 -1,-0.1 0.592 89.8 59.7 -67.3 -8.8 84.8 48.3 11.5 89 127 A N T 3 S+ 0 0 14 287,-0.2 2,-0.7 -58,-0.1 -1,-0.3 0.395 82.3 100.7 -98.7 5.0 84.6 52.1 12.1 90 128 A L < - 0 0 0 -3,-2.2 2,-0.4 -6,-0.2 -57,-0.2 -0.788 54.9-166.4 -92.3 113.6 86.5 52.8 8.8 91 129 A K E -e 33 0C 5 -59,-2.8 -57,-2.4 -2,-0.7 2,-0.5 -0.833 5.4-155.1-100.2 138.4 84.1 54.0 6.0 92 130 A V E -e 34 0C 2 -2,-0.4 40,-3.0 -59,-0.2 41,-0.6 -0.958 13.9-173.7-116.3 116.4 85.5 54.1 2.4 93 131 A L E -eg 35 133C 0 -59,-2.5 -57,-3.1 -2,-0.5 2,-0.6 -0.773 26.1-122.0-107.2 152.4 83.7 56.5 -0.0 94 132 A L E -eg 36 134C 0 39,-2.0 41,-3.0 -2,-0.3 2,-0.5 -0.826 26.3-144.9 -92.0 126.1 84.2 56.9 -3.7 95 133 A S E -eg 37 135C 0 -59,-3.0 -56,-2.4 -2,-0.6 -57,-0.6 -0.838 13.3-160.1 -96.0 126.8 85.2 60.5 -4.5 96 134 A I E +eg 39 136C 0 39,-3.3 41,-3.4 -2,-0.5 2,-0.5 -0.920 55.3 5.7-111.4 126.6 83.8 61.8 -7.8 97 135 A G E - g 0 137C 1 -58,-2.4 4,-0.5 -2,-0.5 41,-0.2 -0.918 57.5-178.9 114.9-122.6 85.3 64.8 -9.5 98 136 A G > - 0 0 0 39,-2.3 4,-1.5 -2,-0.5 41,-0.4 -0.268 57.2 -63.3 98.1 167.9 88.4 66.7 -8.4 99 137 A W T 4 S+ 0 0 175 1,-0.2 -1,-0.2 2,-0.2 40,-0.0 0.870 132.9 47.5 -59.6 -38.0 90.0 69.7 -10.0 100 138 A T T 4 S+ 0 0 115 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.877 117.5 38.6 -73.8 -38.7 90.8 68.0 -13.3 101 139 A Y T >4 S+ 0 0 61 -4,-0.5 3,-2.3 1,-0.2 4,-0.2 0.609 86.9 96.9 -89.1 -11.4 87.4 66.4 -13.9 102 140 A S G >X + 0 0 7 -4,-1.5 3,-1.6 1,-0.3 4,-0.6 0.710 66.6 73.4 -54.4 -24.8 85.2 69.1 -12.6 103 141 A P G 34 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.766 91.8 61.7 -63.4 -16.5 84.4 70.6 -16.1 104 142 A N G <> S+ 0 0 38 -3,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.651 86.7 73.8 -82.6 -13.6 82.2 67.6 -16.6 105 143 A F H <> S+ 0 0 0 -3,-1.6 4,-3.2 -4,-0.2 5,-0.3 0.955 88.0 55.5 -65.0 -54.9 79.8 68.3 -13.8 106 144 A A H X S+ 0 0 23 -4,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.925 115.2 38.1 -47.8 -55.5 77.8 71.3 -15.3 107 145 A P H 4 S+ 0 0 51 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.929 116.6 51.5 -66.8 -39.1 76.7 69.4 -18.4 108 146 A A H >< S+ 0 0 3 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.927 116.0 41.0 -60.4 -43.6 76.2 66.1 -16.6 109 147 A A H 3< S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.2 6,-0.2 0.605 92.4 87.6 -80.8 -12.2 74.0 67.6 -14.0 110 148 A S T 3< S+ 0 0 63 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.2 0.668 87.1 50.2 -64.0 -20.5 72.1 70.0 -16.4 111 149 A T S <> S- 0 0 74 -3,-0.6 4,-2.8 -4,-0.4 5,-0.2 -0.878 77.7-126.0-123.4 157.2 69.4 67.4 -17.3 112 150 A D H > S+ 0 0 78 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.917 113.3 48.5 -60.4 -48.2 67.1 65.1 -15.4 113 151 A A H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 112.7 49.6 -61.7 -39.1 68.2 62.0 -17.3 114 152 A G H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.960 111.3 47.1 -64.5 -53.6 71.9 63.0 -16.7 115 153 A R H X S+ 0 0 29 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.899 115.0 48.4 -55.1 -42.1 71.4 63.5 -12.9 116 154 A K H X S+ 0 0 100 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.841 111.3 47.4 -69.0 -35.5 69.6 60.2 -12.7 117 155 A N H X S+ 0 0 50 -4,-2.0 4,-2.9 2,-0.2 -69,-0.4 0.842 108.3 57.1 -73.6 -33.8 72.2 58.3 -14.7 118 156 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -70,-0.2 0.958 111.2 42.9 -58.4 -50.8 74.9 59.9 -12.5 119 157 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.888 115.4 49.0 -63.5 -42.8 73.1 58.4 -9.4 120 158 A K H X S+ 0 0 159 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.908 114.3 43.1 -66.2 -44.8 72.5 55.1 -11.0 121 159 A T H X S+ 0 0 24 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.888 113.3 52.0 -72.3 -35.5 76.0 54.5 -12.3 122 160 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.904 110.8 48.5 -65.6 -40.8 77.7 55.8 -9.0 123 161 A V H X S+ 0 0 9 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.851 106.7 55.9 -68.9 -32.1 75.6 53.4 -6.9 124 162 A K H X S+ 0 0 94 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.912 107.1 50.0 -65.9 -39.6 76.4 50.5 -9.2 125 163 A L H X S+ 0 0 28 -4,-1.8 4,-3.4 1,-0.2 5,-0.3 0.952 111.3 50.4 -61.0 -45.8 80.1 51.2 -8.6 126 164 A L H X>S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 5,-1.0 0.894 110.0 48.5 -59.0 -42.2 79.3 51.2 -4.8 127 165 A Q H <5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 119.4 39.2 -72.2 -26.5 77.5 47.9 -4.9 128 166 A D H <5S+ 0 0 5 -4,-1.7 258,-0.3 -3,-0.2 -2,-0.2 0.886 122.4 37.1 -87.1 -42.9 80.3 46.3 -6.8 129 167 A L H <5S- 0 0 8 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.488 106.1-114.4 -93.3 -5.2 83.4 47.8 -5.2 130 168 A G T <5 + 0 0 3 -4,-1.4 -38,-0.2 -5,-0.3 -3,-0.2 0.882 51.6 163.1 78.8 41.4 82.2 47.9 -1.6 131 169 A F < - 0 0 2 -5,-1.0 -38,-0.2 -6,-0.2 -1,-0.2 -0.440 38.7-144.4 -88.3 168.3 82.0 51.6 -0.7 132 170 A D S S- 0 0 3 -40,-3.0 43,-2.5 1,-0.2 2,-0.3 0.337 74.0 -40.0-108.3 -0.1 80.2 53.1 2.2 133 171 A G E -gh 93 175C 0 -41,-0.6 -39,-2.0 41,-0.3 2,-0.4 -0.992 62.6 -84.2 166.0-167.8 79.2 56.2 0.3 134 172 A L E -gh 94 176C 0 41,-2.1 43,-2.5 -2,-0.3 2,-0.4 -0.993 18.5-158.6-139.4 140.2 80.1 58.9 -2.2 135 173 A D E -gh 95 177C 0 -41,-3.0 -39,-3.3 -2,-0.4 2,-0.6 -0.964 13.0-149.4-117.9 134.0 81.8 62.2 -2.0 136 174 A I E -gh 96 178C 0 41,-2.4 43,-1.8 -2,-0.4 2,-0.7 -0.925 10.6-173.4-111.1 120.4 81.3 64.8 -4.7 137 175 A D E +g 97 0C 4 -41,-3.4 -39,-2.3 -2,-0.6 2,-0.8 -0.709 14.5 168.5-112.9 75.5 84.2 67.1 -5.5 138 176 A W - 0 0 8 -2,-0.7 2,-0.6 41,-0.3 -39,-0.1 -0.819 26.3-145.3 -95.2 113.3 82.7 69.7 -7.9 139 177 A E - 0 0 32 -2,-0.8 -37,-0.1 -41,-0.4 -34,-0.1 -0.826 69.0 -19.1-119.8 95.6 85.1 72.6 -8.4 140 178 A Y - 0 0 57 -2,-0.6 -1,-0.3 1,-0.1 2,-0.1 0.699 43.7-142.4-148.4 163.9 83.0 74.6 -8.7 141 179 A P - 0 0 6 0, 0.0 48,-0.1 0, 0.0 49,-0.1 -0.413 27.0-166.1 -61.6 133.6 79.4 75.6 -9.4 142 180 A E + 0 0 147 1,-0.2 2,-0.3 -2,-0.1 3,-0.0 0.522 58.0 6.7-103.8 -5.2 79.7 78.8 -11.4 143 181 A N S > S- 0 0 73 1,-0.1 4,-2.8 46,-0.0 3,-0.3 -0.983 83.7 -84.2-165.5 171.0 76.2 80.2 -11.3 144 182 A D H > S+ 0 0 101 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.830 121.2 55.1 -53.1 -41.3 72.7 79.7 -10.0 145 183 A Q H > S+ 0 0 118 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.941 113.2 43.4 -60.4 -44.9 71.6 77.2 -12.6 146 184 A Q H > S+ 0 0 21 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.919 112.4 51.5 -66.1 -42.7 74.6 75.1 -11.6 147 185 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 44,-0.2 0.934 113.3 47.9 -59.3 -43.3 74.1 75.6 -7.9 148 186 A N H X S+ 0 0 59 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.919 111.5 47.3 -61.8 -48.2 70.5 74.5 -8.5 149 187 A D H X S+ 0 0 10 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.853 105.9 60.5 -63.5 -34.4 71.4 71.4 -10.5 150 188 A F H X S+ 0 0 7 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.958 106.6 45.9 -59.6 -47.6 74.0 70.5 -7.8 151 189 A V H X S+ 0 0 9 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.943 113.0 49.6 -59.2 -46.8 71.2 70.3 -5.3 152 190 A L H X S+ 0 0 60 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.895 110.4 51.6 -60.4 -38.0 69.0 68.3 -7.7 153 191 A L H X S+ 0 0 1 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.947 108.1 51.2 -63.2 -47.3 72.0 66.0 -8.3 154 192 A L H X S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 5,-0.2 0.930 108.8 50.6 -57.1 -45.9 72.5 65.4 -4.6 155 193 A K H X S+ 0 0 84 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.918 108.9 52.1 -57.6 -46.1 68.8 64.4 -4.1 156 194 A E H X S+ 0 0 50 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.921 114.3 42.4 -57.5 -46.3 69.0 62.0 -6.9 157 195 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.947 112.2 53.4 -66.8 -47.3 72.1 60.3 -5.4 158 196 A R H X S+ 0 0 22 -4,-3.6 4,-2.2 1,-0.2 -2,-0.2 0.941 111.9 47.5 -51.9 -46.1 70.7 60.4 -1.9 159 197 A T H X S+ 0 0 74 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.907 111.2 47.7 -63.9 -45.5 67.6 58.6 -3.2 160 198 A A H X S+ 0 0 24 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.873 111.0 52.6 -66.5 -35.0 69.4 55.9 -5.2 161 199 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.936 110.8 47.9 -65.9 -41.9 71.6 55.2 -2.1 162 200 A D H X S+ 0 0 76 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.915 113.8 45.9 -64.6 -41.1 68.5 54.8 0.0 163 201 A S H X S+ 0 0 72 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.937 112.5 50.1 -66.8 -48.2 66.7 52.5 -2.5 164 202 A Y H X S+ 0 0 16 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.935 113.4 48.2 -54.8 -45.3 69.9 50.4 -3.0 165 203 A S H X S+ 0 0 4 -4,-2.4 4,-2.7 -5,-0.2 6,-1.8 0.917 106.6 53.2 -64.2 -45.0 70.2 50.1 0.8 166 204 A A H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.864 118.6 39.8 -59.1 -32.0 66.6 49.1 1.4 167 205 A A H < S+ 0 0 72 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.834 135.2 10.9 -87.5 -35.6 67.1 46.4 -1.1 168 206 A N H < S+ 0 0 47 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.366 124.2 48.3-129.7 8.4 70.6 45.1 -0.4 169 207 A A S >< S- 0 0 13 -4,-2.7 3,-2.5 -5,-0.3 -3,-0.2 0.149 98.0-112.8-135.9 22.4 71.9 46.5 2.9 170 208 A G T 3 S- 0 0 83 1,-0.3 -4,-0.2 -5,-0.2 -5,-0.1 0.804 83.3 -51.6 51.2 30.4 69.1 46.0 5.4 171 209 A G T 3 S+ 0 0 50 -6,-1.8 -1,-0.3 1,-0.2 -5,-0.2 0.489 85.3 171.4 88.2 1.0 68.6 49.7 5.5 172 210 A Q < - 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