==== 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 15-JUN-99 9GAF . COMPND 2 MOLECULE: PROTEIN (GLYCOSYLASPARAGINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ELIZABETHKINGIA MENINGOSEPTICA; . AUTHOR H.-C.GUO,Q.XU . 584 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 19.5 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 . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 30 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 0 0 2 0 0 5 3 1 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 6 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 2 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 2 A T 0 0 119 0, 0.0 2,-0.8 0, 0.0 259,-0.2 0.000 360.0 360.0 360.0 133.8 6.1 17.2 60.8 2 3 A N - 0 0 60 257,-2.5 152,-0.0 275,-0.0 3,-0.0 -0.925 360.0-166.5 -97.1 105.3 7.5 20.1 62.7 3 4 A K + 0 0 77 -2,-0.8 152,-0.1 1,-0.2 2,-0.1 -0.981 50.1 37.5-150.0 150.6 5.6 23.1 61.2 4 5 A P S S+ 0 0 15 0, 0.0 274,-0.4 0, 0.0 2,-0.3 0.625 76.1 147.8 -72.1 159.6 5.5 26.0 60.9 5 6 A I E -A 154 0A 0 149,-2.3 149,-2.8 272,-0.2 2,-0.4 -0.978 24.7-167.7-157.2 144.2 9.1 26.7 60.8 6 7 A V E -AB 153 276A 0 270,-2.2 270,-3.1 -2,-0.3 2,-0.4 -0.997 0.3-169.8-137.4 139.3 11.3 29.3 59.1 7 8 A L E +AB 152 275A 0 145,-2.6 145,-2.6 -2,-0.4 2,-0.3 -0.976 9.7 173.8-122.7 141.2 15.1 29.5 58.5 8 9 A S E -AB 151 274A 0 266,-2.1 266,-2.7 -2,-0.4 143,-0.2 -0.967 31.4 -94.8-145.8 162.7 17.1 32.5 57.3 9 10 A T E S- B 0 273A 0 141,-1.9 264,-0.2 -2,-0.3 4,-0.2 -0.501 71.2 -9.8 -88.2 148.4 20.7 33.3 56.9 10 11 A F S > S- 0 0 11 262,-2.4 3,-1.5 -2,-0.2 4,-0.3 0.187 97.1 -52.4 66.5-175.4 23.1 35.2 59.1 11 12 A N T >> S+ 0 0 72 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.861 131.5 59.7 -61.7 -37.0 22.6 37.2 62.4 12 13 A F H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.683 83.7 82.1 -75.3 -6.7 20.0 39.4 60.9 13 14 A G H <> S+ 0 0 0 -3,-1.5 4,-2.6 -4,-0.2 -1,-0.3 0.792 81.8 65.5 -62.5 -27.2 18.0 36.3 60.2 14 15 A L H <> S+ 0 0 53 -3,-1.6 4,-1.3 -4,-0.3 -1,-0.2 0.976 107.6 37.5 -63.1 -49.5 16.8 36.5 63.8 15 16 A H H X S+ 0 0 93 -4,-0.5 4,-1.5 1,-0.2 3,-0.4 0.918 115.5 53.9 -69.6 -41.3 14.9 39.8 63.3 16 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 105.5 55.4 -57.6 -38.6 13.8 38.7 59.8 17 18 A N H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.847 99.4 59.2 -64.0 -35.5 12.3 35.6 61.3 18 19 A V H X S+ 0 0 69 -4,-1.3 4,-1.2 -3,-0.4 -1,-0.2 0.942 108.3 46.3 -60.3 -45.8 10.2 37.6 63.8 19 20 A E H X S+ 0 0 54 -4,-1.5 4,-0.7 1,-0.2 3,-0.3 0.904 113.5 47.9 -63.1 -40.7 8.4 39.3 60.8 20 21 A A H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-0.8 0.879 107.3 57.2 -66.6 -32.9 7.9 36.0 59.0 21 22 A W H 3X S+ 0 0 43 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.812 94.1 66.7 -69.8 -27.4 6.5 34.4 62.2 22 23 A K H 3< S+ 0 0 116 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.868 111.6 35.0 -60.5 -34.6 3.8 37.1 62.3 23 24 A V H X<>S+ 0 0 30 -3,-0.8 5,-2.4 -4,-0.7 3,-1.7 0.918 120.1 47.7 -77.4 -54.2 2.5 35.5 59.1 24 25 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.3 132,-0.3 0.871 103.8 59.2 -62.8 -34.8 3.2 31.8 59.9 25 26 A S T 3<5S+ 0 0 53 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.653 106.0 50.7 -73.5 -6.6 1.8 31.8 63.4 26 27 A K T < 5S- 0 0 174 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.137 126.0 -95.4-113.1 17.9 -1.6 32.8 62.0 27 28 A G T < 5S+ 0 0 41 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.546 72.6 158.6 82.4 8.7 -1.8 30.2 59.3 28 29 A G < - 0 0 23 -5,-2.4 128,-0.5 1,-0.1 129,-0.2 -0.125 48.3 -87.5 -67.6 162.9 -0.5 32.5 56.6 29 30 A K >> - 0 0 91 1,-0.1 4,-2.2 126,-0.1 3,-0.5 -0.440 26.7-127.0 -73.0 143.1 1.1 31.2 53.4 30 31 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.859 109.7 61.4 -55.1 -35.9 4.9 30.5 53.4 31 32 A L H 3> S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 107.0 42.2 -61.0 -43.2 5.2 32.8 50.3 32 33 A D H <> S+ 0 0 39 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.919 113.1 54.9 -70.3 -39.2 3.9 35.9 52.2 33 34 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.935 110.0 43.5 -60.8 -46.6 6.0 35.0 55.3 34 35 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.852 114.3 51.6 -72.6 -28.9 9.3 34.8 53.3 35 36 A E H X S+ 0 0 18 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.956 112.4 44.7 -68.7 -46.9 8.5 38.0 51.4 36 37 A K H X S+ 0 0 74 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.900 113.0 54.1 -62.4 -39.5 7.7 40.0 54.6 37 38 A G H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.2 3,-0.4 0.934 112.2 38.9 -64.4 -50.1 10.8 38.6 56.3 38 39 A V H >X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-0.7 0.852 106.9 65.1 -77.4 -25.0 13.4 39.6 53.7 39 40 A R H 3X S+ 0 0 66 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.843 92.6 64.0 -59.3 -31.3 11.8 43.0 53.0 40 41 A L H 3X S+ 0 0 64 -4,-1.1 4,-0.7 -3,-0.4 -1,-0.2 0.904 108.6 40.4 -57.3 -40.5 12.6 43.9 56.6 41 42 A V H X< S+ 0 0 5 -4,-0.7 3,-0.7 -3,-0.7 6,-0.3 0.896 110.9 55.7 -81.6 -38.5 16.3 43.6 55.7 42 43 A E H 3< S+ 0 0 0 -4,-2.2 10,-2.5 1,-0.2 -2,-0.2 0.848 108.5 51.9 -55.4 -36.2 15.9 45.3 52.2 43 44 A D H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.701 89.3 90.5 -71.9 -25.4 14.4 48.2 54.0 44 45 A D X< - 0 0 53 -3,-0.7 3,-1.8 -4,-0.7 9,-0.8 -0.629 58.2-162.5 -83.9 113.1 17.2 48.7 56.5 45 46 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 79,-0.1 0.735 88.4 66.3 -67.5 -17.6 20.0 51.1 55.3 46 47 A T T 3 S+ 0 0 93 1,-0.1 2,-1.0 2,-0.0 -2,-0.0 0.667 81.2 82.8 -82.1 -9.2 22.3 49.8 57.9 47 48 A E X - 0 0 38 -3,-1.8 3,-1.0 -6,-0.3 6,-0.5 -0.799 67.3-168.7 -91.3 105.9 22.4 46.4 56.2 48 49 A R T 3 S+ 0 0 21 -2,-1.0 7,-2.2 1,-0.2 -1,-0.1 0.406 74.7 47.8 -84.7 1.6 25.0 47.1 53.5 49 50 A S T 3 S+ 0 0 7 97,-0.3 118,-2.0 5,-0.2 119,-0.6 0.173 103.4 63.4-124.8 21.6 24.7 44.0 51.3 50 51 A V S X S- 0 0 0 -3,-1.0 3,-0.6 116,-0.3 4,-0.2 -0.998 104.3 -56.1-144.1 131.1 20.9 43.9 50.9 51 52 A G G > S+ 0 0 0 -2,-0.4 3,-1.9 1,-0.2 -8,-0.1 0.083 114.2 24.3 45.5-125.4 18.6 46.5 49.2 52 53 A Y G 3 S+ 0 0 64 -10,-2.5 72,-0.3 33,-0.4 -1,-0.2 0.826 128.1 32.5 -55.2 -54.8 18.7 50.0 50.5 53 54 A G G < S+ 0 0 0 -9,-0.8 -1,-0.3 -3,-0.6 -2,-0.1 0.369 90.4 144.1 -84.5 25.1 22.2 50.6 52.2 54 55 A G < - 0 0 0 -3,-1.9 -5,-0.2 -4,-0.2 70,-0.2 -0.169 56.9-109.5 -68.1 142.9 23.8 48.2 49.7 55 56 A R - 0 0 60 -7,-2.2 8,-0.3 113,-0.2 -1,-0.1 -0.465 39.4-122.7 -71.1 135.0 27.3 48.8 48.4 56 57 A P - 0 0 0 0, 0.0 115,-2.8 0, 0.0 6,-0.3 -0.151 21.6 -99.0 -71.1 169.7 27.4 49.9 44.7 57 58 A D > - 0 0 0 4,-2.7 3,-2.1 114,-0.2 116,-0.2 -0.162 58.0 -79.9 -71.3-177.4 29.2 48.3 41.8 58 59 A R T 3 S+ 0 0 104 114,-2.9 115,-0.1 1,-0.3 -1,-0.1 0.660 131.4 56.8 -69.6 -10.3 32.4 50.0 40.7 59 60 A D T 3 S- 0 0 69 113,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.253 122.4-102.4-100.6 9.4 30.6 52.7 38.8 60 61 A G S < S+ 0 0 14 -3,-2.1 2,-0.5 1,-0.2 -2,-0.1 0.593 78.7 135.1 83.5 16.8 28.7 53.8 41.9 61 62 A R - 0 0 81 -6,-0.0 -4,-2.7 2,-0.0 2,-0.8 -0.804 49.9-143.5-104.1 126.9 25.4 52.1 40.9 62 63 A V + 0 0 9 -2,-0.5 2,-0.5 -6,-0.3 21,-0.4 -0.800 27.8 179.3 -85.4 113.3 23.5 50.0 43.5 63 64 A T - 0 0 0 -2,-0.8 2,-0.3 104,-0.4 19,-0.2 -0.986 10.5-153.4-125.4 128.4 22.0 47.1 41.5 64 65 A L E -C 81 0A 0 17,-2.8 17,-2.4 -2,-0.5 2,-0.4 -0.694 9.3-161.6-108.0 153.8 20.0 44.5 43.2 65 66 A D E + D 0 166A 0 101,-2.4 101,-2.5 -2,-0.3 2,-0.3 -0.988 20.2 153.9-134.5 136.7 19.2 40.8 42.6 66 67 A A E -CD 78 165A 0 12,-2.6 12,-2.4 -2,-0.4 2,-0.3 -0.981 15.0-175.9-158.6 148.8 16.4 38.7 44.0 67 68 A C E -CD 77 164A 0 97,-2.0 97,-2.4 113,-0.4 2,-0.3 -0.967 5.6-163.2-145.2 163.9 14.2 35.7 43.3 68 69 A I E -CD 76 163A 0 8,-2.0 8,-1.8 -2,-0.3 2,-0.3 -0.974 2.2-171.2-141.6 148.9 11.2 33.9 44.9 69 70 A M E -CD 75 162A 0 93,-2.1 93,-2.3 -2,-0.3 6,-0.2 -0.988 9.0-159.0-147.5 133.1 9.7 30.5 44.6 70 71 A D > - 0 0 14 4,-2.0 3,-0.6 -2,-0.3 121,-0.2 -0.161 40.6 -80.9 -99.0-158.9 6.4 29.2 46.0 71 72 A E T 3 S+ 0 0 55 1,-0.2 120,-0.3 2,-0.1 89,-0.1 0.540 119.7 51.5 -85.7 -3.8 5.0 25.7 46.8 72 73 A N T 3 S- 0 0 44 2,-0.1 -1,-0.2 118,-0.1 3,-0.1 -0.130 120.7 -90.3-133.8 45.9 3.8 24.9 43.2 73 74 A Y S < S+ 0 0 11 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.729 77.6 144.9 58.0 24.0 6.9 25.6 41.1 74 75 A N + 0 0 36 2,-0.0 -4,-2.0 427,-0.0 2,-0.3 -0.789 24.8 179.4 -91.3 140.7 6.0 29.3 40.4 75 76 A I E -C 69 0A 2 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.983 16.6-179.6-141.1 147.9 9.1 31.5 40.2 76 77 A G E +C 68 0A 0 -8,-1.8 -8,-2.0 -2,-0.3 2,-0.3 -0.984 8.2 177.0-146.9 154.1 10.0 35.1 39.7 77 78 A S E -Ce 67 102A 4 24,-0.8 26,-2.0 -2,-0.3 2,-0.3 -0.997 15.4-169.8-158.4 144.9 13.4 37.0 39.5 78 79 A V E -Ce 66 103A 0 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.4 -0.981 14.7-171.5-132.1 141.4 14.9 40.4 38.9 79 80 A A E + e 0 104A 0 24,-1.5 26,-2.1 -2,-0.3 -14,-0.2 -0.999 63.0 5.6-138.0 144.1 18.6 41.0 38.5 80 81 A C E S+ 0 0 7 -2,-0.4 2,-0.4 -16,-0.2 -15,-0.2 0.937 82.6 162.3 55.5 52.0 20.7 44.1 38.3 81 82 A M E -C 64 0A 0 -17,-2.4 -17,-2.8 -3,-0.1 2,-0.3 -0.870 23.1-151.5-106.7 138.0 17.8 46.3 39.0 82 83 A E + 0 0 26 -2,-0.4 -19,-0.1 -19,-0.2 39,-0.1 -0.745 61.3 12.5-107.3 155.5 18.2 49.9 40.1 83 84 A H S S+ 0 0 63 -21,-0.4 37,-2.5 -2,-0.3 2,-0.6 0.431 88.0 107.9 68.5 4.2 16.2 52.4 42.2 84 85 A I - 0 0 3 35,-0.2 35,-0.1 -3,-0.1 -1,-0.1 -0.955 53.7-157.0-115.5 121.2 13.6 50.0 43.8 85 86 A K S S+ 0 0 29 -2,-0.6 -33,-0.4 33,-0.5 -1,-0.1 0.788 84.4 49.5 -64.6 -29.5 14.1 49.3 47.5 86 87 A N >> + 0 0 20 1,-0.2 4,-1.2 -35,-0.1 3,-0.9 -0.631 55.0 163.0-116.6 72.8 12.3 46.0 47.5 87 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.820 74.3 66.0 -56.5 -30.6 13.4 43.7 44.6 88 89 A I H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.888 103.1 47.8 -61.0 -35.0 11.8 40.6 46.3 89 90 A S H <> S+ 0 0 6 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.858 109.8 50.1 -76.2 -31.6 8.4 42.1 45.7 90 91 A V H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.910 109.4 53.7 -70.6 -40.9 9.1 43.0 42.1 91 92 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.926 107.3 50.8 -55.3 -43.9 10.3 39.3 41.6 92 93 A R H X S+ 0 0 25 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.897 109.4 50.6 -60.8 -39.0 6.9 38.2 43.1 93 94 A A H X S+ 0 0 9 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.871 106.9 53.6 -69.5 -34.3 5.2 40.5 40.5 94 95 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 6,-0.4 0.975 113.6 45.3 -58.5 -46.9 7.3 38.9 37.6 95 96 A M H < S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.946 123.4 32.4 -56.5 -56.4 6.0 35.5 38.9 96 97 A E H < S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.769 126.8 33.5 -79.7 -27.2 2.4 36.5 39.3 97 98 A K H < S+ 0 0 117 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.439 106.9 55.2-116.4 -0.4 1.8 39.1 36.6 98 99 A T S < S- 0 0 19 -4,-1.4 0, 0.0 -5,-0.3 0, 0.0 -0.903 72.7-123.5-131.3 164.8 3.9 38.2 33.5 99 100 A P S S+ 0 0 74 0, 0.0 2,-0.2 0, 0.0 398,-0.1 0.214 91.7 78.1 -81.7 6.9 4.4 35.2 31.3 100 101 A H - 0 0 3 -6,-0.4 -2,-0.3 1,-0.1 3,-0.1 -0.709 64.2-152.4-115.1 176.8 8.1 35.3 32.1 101 102 A V S S+ 0 0 6 370,-0.3 -24,-0.8 1,-0.3 2,-0.4 0.528 78.4 34.6-122.1 -17.0 10.2 34.2 35.1 102 103 A M E +e 77 0A 3 369,-0.3 369,-2.3 -26,-0.2 2,-0.4 -0.961 53.2 177.0-148.1 128.6 13.2 36.6 35.0 103 104 A L E -eF 78 470A 0 -26,-2.0 -24,-1.5 -2,-0.4 2,-0.3 -0.970 14.2-169.1-124.4 143.3 13.7 40.3 34.0 104 105 A V E >> -e 79 0A 2 365,-1.7 3,-0.9 -2,-0.4 4,-0.8 -0.902 40.1 -14.0-131.6 161.2 16.9 42.3 34.3 105 106 A G H >> S- 0 0 15 -26,-2.1 4,-1.7 -2,-0.3 3,-0.6 -0.130 121.3 -4.3 61.4-141.1 18.3 45.8 34.1 106 107 A D H 3> S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.830 132.5 57.5 -57.5 -39.3 16.2 48.6 32.6 107 108 A G H <> S+ 0 0 2 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.856 105.1 51.9 -63.5 -34.4 13.4 46.2 31.7 108 109 A A H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.4 0.950 109.9 48.6 -53.6 -46.6 8.4 47.6 38.6 113 114 A L H ><5S+ 0 0 77 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.921 106.3 57.2 -63.7 -39.0 7.2 51.2 37.9 114 115 A S H 3<5S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.702 106.7 52.1 -62.5 -17.1 4.3 49.8 35.8 115 116 A Q T <<5S- 0 0 76 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.261 126.4 -96.7-103.9 7.4 3.3 47.9 39.0 116 117 A G T < 5S+ 0 0 51 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.434 73.2 144.7 97.7 -7.3 3.3 50.9 41.3 117 118 A F < - 0 0 45 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.3 -0.412 47.3-123.0 -68.3 145.2 6.8 50.6 42.9 118 119 A K - 0 0 157 -2,-0.1 -33,-0.5 1,-0.0 2,-0.3 -0.794 12.6-122.2 -96.1 133.8 8.5 53.9 43.6 119 120 A K + 0 0 131 -2,-0.4 2,-0.3 -35,-0.1 -35,-0.2 -0.546 41.8 172.9 -65.4 130.3 11.8 55.0 42.3 120 121 A E - 0 0 76 -37,-2.5 2,-0.7 -2,-0.3 -37,-0.0 -0.917 39.4-108.3-138.7 158.7 14.2 55.8 45.2 121 122 A N - 0 0 117 -2,-0.3 -39,-0.0 1,-0.1 -2,-0.0 -0.833 32.1-177.5 -91.8 113.8 17.9 56.6 45.6 122 123 A L + 0 0 3 -2,-0.7 2,-1.0 -60,-0.1 -1,-0.1 0.537 53.6 97.1 -91.9 -6.7 19.4 53.6 47.2 123 124 A L - 0 0 38 -61,-0.1 -70,-0.1 -70,-0.1 2,-0.1 -0.755 65.9-154.2 -87.9 105.0 22.9 55.0 47.5 124 125 A T > - 0 0 21 -2,-1.0 4,-2.4 -72,-0.3 5,-0.2 -0.354 28.8-109.3 -70.4 161.7 23.1 56.2 51.0 125 126 A A H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 121.9 55.2 -61.3 -34.4 25.6 59.0 51.9 126 127 A E H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.958 108.5 44.8 -62.1 -50.1 27.6 56.3 53.7 127 128 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 112.7 52.2 -64.9 -34.4 27.8 54.0 50.7 128 129 A E H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.921 110.1 47.9 -66.5 -44.3 28.7 56.9 48.4 129 130 A K H X S+ 0 0 166 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.944 113.4 48.0 -58.8 -52.1 31.6 58.0 50.7 130 131 A E H X S+ 0 0 62 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.883 111.5 50.9 -60.4 -39.1 32.9 54.5 50.9 131 132 A W H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 109.5 48.4 -66.1 -45.5 32.7 54.0 47.1 132 133 A K H < S+ 0 0 108 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.921 112.6 49.7 -62.3 -38.3 34.6 57.3 46.4 133 134 A E H < S+ 0 0 165 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.981 110.7 49.9 -62.4 -49.7 37.3 56.2 49.0 134 135 A W H < 0 0 93 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.842 360.0 360.0 -56.1 -35.7 37.5 52.7 47.3 135 136 A L < 0 0 122 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.734 360.0 360.0 -63.0 360.0 37.9 54.5 43.9 136 ! 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 0.0 137 141 A Y 0 0 75 0, 0.0 34,-0.1 0, 0.0 -79,-0.0 0.000 360.0 360.0 360.0 100.7 38.5 44.8 44.0 138 142 A K - 0 0 184 2,-0.0 2,-2.7 0, 0.0 33,-0.0 -0.847 360.0-162.6-129.0 89.4 39.4 42.1 46.5 139 143 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 32,-0.0 -0.219 27.8-179.9 -72.5 55.6 36.2 40.2 47.4 140 144 A I - 0 0 125 -2,-2.7 2,-0.4 1,-0.1 108,-0.1 0.007 35.5 -95.4 -64.0 162.2 37.6 38.7 50.6 141 145 A V + 0 0 33 106,-0.3 2,-0.3 108,-0.1 -1,-0.1 -0.645 49.3 168.4 -73.6 130.6 36.0 36.4 53.1 142 146 A N > - 0 0 81 -2,-0.4 3,-1.6 3,-0.2 108,-0.0 -0.867 27.5-160.9-150.1 108.8 34.7 38.4 55.9 143 147 A I T 3 S+ 0 0 79 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.678 93.8 63.4 -70.3 -14.0 32.3 36.8 58.4 144 148 A E T 3 S+ 0 0 138 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.670 84.5 90.8 -79.7 -10.1 31.1 40.3 59.4 145 149 A N < - 0 0 42 -3,-1.6 2,-1.6 1,-0.1 -3,-0.2 -0.722 62.4-164.8 -89.3 105.8 29.8 40.7 55.9 146 150 A H + 0 0 35 -2,-0.9 -97,-0.3 1,-0.2 -1,-0.1 -0.679 18.3 178.0 -90.5 83.8 26.2 39.4 55.9 147 151 A D + 0 0 19 -2,-1.6 21,-0.4 -99,-0.1 20,-0.4 0.610 52.0 10.2 -69.9 -22.6 26.2 39.2 52.1 148 152 A T - 0 0 0 18,-0.1 2,-0.6 439,-0.1 18,-0.2 -0.980 59.6-138.0-149.6 146.2 22.7 37.8 51.2 149 153 A I E + G 0 165A 0 16,-2.2 16,-2.1 -2,-0.3 2,-0.4 -0.979 26.4 175.1-112.7 121.4 19.5 37.1 53.0 150 154 A G E - G 0 164A 0 -2,-0.6 -141,-1.9 14,-0.2 2,-0.4 -0.952 5.6-174.4-112.5 141.3 18.0 33.9 52.0 151 155 A M E -AG 8 163A 0 12,-2.6 12,-2.4 -2,-0.4 2,-0.3 -0.997 7.1-178.8-141.7 131.6 14.8 32.7 53.8 152 156 A I E -AG 7 162A 0 -145,-2.6 -145,-2.6 -2,-0.4 2,-0.3 -0.989 9.2-177.1-129.1 141.7 13.0 29.4 53.5 153 157 A A E -AG 6 161A 0 8,-2.4 8,-1.6 -2,-0.3 2,-0.4 -0.971 24.7-153.0-144.1 151.0 9.8 28.4 55.4 154 158 A L E -AG 5 160A 0 -149,-2.8 -149,-2.3 -2,-0.3 6,-0.2 -0.999 32.4-156.7-118.8 121.2 7.3 25.5 55.9 155 159 A D > - 0 0 3 4,-2.6 3,-1.8 -2,-0.4 -126,-0.1 -0.249 34.1 -84.4 -94.6-171.4 3.9 26.8 56.9 156 160 A A T 3 S+ 0 0 43 -128,-0.5 -127,-0.1 1,-0.3 -128,-0.1 0.780 126.4 56.5 -65.0 -20.9 0.8 25.4 58.7 157 161 A Q T 3 S- 0 0 131 -129,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.565 120.2-109.5 -87.5 -5.3 -0.5 23.8 55.4 158 162 A G S < S+ 0 0 10 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.665 73.5 141.4 85.2 20.6 2.7 21.9 55.1 159 163 A N - 0 0 30 33,-0.0 -4,-2.6 -87,-0.0 -1,-0.3 -0.736 40.7-144.4-104.6 143.4 3.8 24.0 52.2 160 164 A L E + G 0 154A 0 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.742 24.3 158.3 -99.9 150.0 7.3 25.3 51.4 161 165 A S E - G 0 153A 1 -8,-1.6 -8,-2.4 -2,-0.3 2,-0.3 -0.959 13.4-166.2-160.6 162.9 8.4 28.6 49.8 162 166 A G E -DG 69 152A 0 -93,-2.3 -93,-2.1 -2,-0.3 2,-0.3 -0.990 9.4-161.9-153.6 161.3 11.6 30.7 49.8 163 167 A A E -DG 68 151A 0 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.3 -0.984 4.4-172.2-142.8 147.5 13.1 34.1 48.9 164 168 A C E +DG 67 150A 0 -97,-2.4 -97,-2.0 -2,-0.3 2,-0.3 -0.988 11.1 169.9-142.7 131.2 16.7 35.3 48.3 165 169 A T E +DG 66 149A 0 -16,-2.1 -16,-2.2 -2,-0.3 2,-0.3 -0.997 3.7 154.6-146.1 145.0 17.8 39.0 47.9 166 170 A T E -D 65 0A 0 -101,-2.5 -101,-2.4 -2,-0.3 -116,-0.3 -0.971 45.8-136.1-155.6 162.3 21.2 40.8 47.7 167 171 A S - 0 0 0 -118,-2.0 -104,-0.4 -20,-0.4 -117,-0.2 0.315 60.3-140.3-100.4 0.3 23.0 43.9 46.4 168 172 A G - 0 0 9 -119,-0.6 -1,-0.2 -21,-0.4 -113,-0.2 -0.033 46.1 -8.3 77.4-169.3 25.8 41.5 45.4 169 173 A M S > S- 0 0 21 1,-0.1 3,-1.6 2,-0.1 7,-0.1 -0.333 77.1-110.9 -67.1 124.7 29.5 41.8 45.6 170 174 A A T 3 S+ 0 0 26 1,-0.3 -113,-0.2 -2,-0.1 -1,-0.1 -0.344 99.3 7.8 -52.0 129.9 30.7 45.3 46.6 171 175 A Y T 3 S+ 0 0 24 -115,-2.8 -1,-0.3 1,-0.2 -114,-0.2 0.703 90.1 161.6 66.6 25.8 32.5 47.0 43.6 172 176 A K < - 0 0 0 -3,-1.6 -114,-2.9 -116,-0.3 -113,-0.3 -0.143 52.0 -80.8 -61.2 163.2 31.5 44.3 41.2 173 177 A M > - 0 0 22 -116,-0.2 3,-2.2 1,-0.1 -1,-0.1 -0.444 59.5 -90.6 -66.9 145.7 31.7 45.1 37.5 174 178 A H T 3 S+ 0 0 15 1,-0.3 230,-0.2 226,-0.1 -1,-0.1 -0.396 117.3 24.7 -55.9 127.2 28.6 47.0 36.3 175 179 A G T 3 S+ 0 0 0 1,-0.3 222,-1.7 221,-0.1 -1,-0.3 0.426 85.1 149.2 97.5 -2.5 26.1 44.4 35.1 176 180 A R B < -I 396 0B 0 -3,-2.2 2,-0.4 220,-0.2 -1,-0.3 -0.476 27.1-164.8 -69.4 134.3 27.4 41.5 37.3 177 181 A V - 0 0 0 218,-2.1 217,-0.3 -2,-0.2 218,-0.3 -0.969 3.7-166.7-119.0 131.9 24.8 39.0 38.5 178 182 A G - 0 0 0 -2,-0.4 8,-0.1 216,-0.1 4,-0.1 -0.000 41.7 -79.7 -95.7-153.9 25.5 36.5 41.3 179 183 A D S > S+ 0 0 0 408,-0.4 7,-2.1 1,-0.2 3,-1.5 0.695 103.7 86.3 -86.8 -22.9 23.6 33.5 42.4 180 184 A S T 3 S+ 0 0 0 1,-0.3 -113,-0.4 6,-0.2 -1,-0.2 0.703 94.7 39.6 -61.1 -27.0 20.8 35.1 44.4 181 185 A P T 3 S+ 0 0 2 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.384 96.4 96.5 -96.1 0.3 18.3 35.7 41.4 182 186 A I S X>>S- 0 0 4 -3,-1.5 3,-1.9 -4,-0.1 5,-1.1 -0.809 74.2-133.8 -98.8 115.7 19.1 32.3 39.7 183 187 A I B 345S+q 187 0C 9 -2,-0.6 5,-0.2 1,-0.3 320,-0.1 -0.476 94.6 23.2 -67.7 130.0 16.7 29.4 40.5 184 188 A G T 345S+ 0 0 0 3,-2.9 28,-2.3 -2,-0.2 27,-0.4 0.138 124.5 55.3 96.3 -16.6 18.7 26.3 41.4 185 189 A A T <45S+ 0 0 1 -3,-1.9 26,-1.1 2,-0.3 -2,-0.2 0.753 123.6 12.3-110.7 -74.5 21.8 28.3 42.4 186 190 A G T <5S+ 0 0 0 -7,-2.1 12,-2.1 -4,-1.0 2,-0.3 0.794 137.6 12.6 -70.4 -27.1 20.8 30.9 45.1 187 191 A L E < +qR 183 197C 0 -5,-1.1 -3,-2.9 -8,-0.3 -2,-0.3 -0.998 57.1 167.2-153.2 137.9 17.3 29.3 45.8 188 192 A F E - 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