==== 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 9GAC . COMPND 2 MOLECULE: PROTEIN (GLYCOSYLASPARAGINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ELIZABETHKINGIA MENINGOSEPTICA; . AUTHOR H.-C.GUO,Q.XU . 562 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 20.3 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 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 17 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 1 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 1 1 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 0 115 0, 0.0 2,-1.0 0, 0.0 250,-0.2 0.000 360.0 360.0 360.0 127.9 6.5 17.3 61.4 2 3 A N - 0 0 57 248,-2.4 143,-0.1 266,-0.0 3,-0.0 -0.833 360.0-163.6 -83.7 98.1 8.0 20.2 63.2 3 4 A K + 0 0 74 -2,-1.0 143,-0.1 1,-0.2 144,-0.1 -0.995 52.5 31.2-144.7 148.5 5.9 23.1 61.6 4 5 A P S S+ 0 0 12 0, 0.0 265,-0.4 0, 0.0 2,-0.3 0.677 75.6 153.0 -68.9 163.6 5.9 26.1 61.3 5 6 A I E -A 145 0A 0 140,-2.1 140,-3.0 263,-0.2 2,-0.3 -0.966 22.7-166.5-158.1 140.8 9.6 26.8 61.2 6 7 A V E -AB 144 267A 0 261,-2.2 261,-2.4 -2,-0.3 2,-0.4 -0.987 4.8-173.5-125.5 136.7 11.7 29.6 59.5 7 8 A L E +AB 143 266A 0 136,-2.7 136,-2.2 -2,-0.3 2,-0.3 -0.986 8.0 174.6-127.5 143.3 15.5 29.6 59.0 8 9 A S E -AB 142 265A 0 257,-2.4 257,-2.4 -2,-0.4 2,-0.2 -0.982 31.2 -95.7-145.1 160.2 17.6 32.5 57.7 9 10 A T E S- B 0 264A 1 132,-2.1 255,-0.2 -2,-0.3 4,-0.1 -0.567 73.6 -11.8 -78.4 142.7 21.3 33.4 57.1 10 11 A W S > S- 0 0 37 253,-2.9 3,-1.4 -2,-0.2 255,-0.2 0.142 95.3 -53.5 71.6-178.7 23.6 35.3 59.5 11 12 A N T >> S+ 0 0 72 1,-0.3 3,-2.3 2,-0.2 4,-0.5 0.898 129.2 59.1 -61.5 -43.4 23.0 37.3 62.7 12 13 A F H 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.677 85.5 82.1 -67.3 -6.6 20.4 39.6 61.3 13 14 A G H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 -1,-0.3 0.735 80.9 65.3 -68.1 -20.8 18.3 36.6 60.5 14 15 A L H <> S+ 0 0 52 -3,-2.3 4,-1.3 -4,-0.2 -1,-0.2 0.982 108.4 38.0 -63.8 -49.0 17.1 36.6 64.2 15 16 A H H X S+ 0 0 103 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.869 115.6 52.4 -66.6 -42.2 15.3 39.9 63.7 16 17 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-0.2 0.925 106.5 55.9 -63.7 -40.2 14.2 38.9 60.2 17 18 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.845 98.5 60.5 -60.3 -33.1 12.8 35.7 61.7 18 19 A V H X S+ 0 0 65 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.935 106.9 46.8 -62.9 -42.4 10.6 37.7 64.2 19 20 A E H >X S+ 0 0 49 -4,-1.3 4,-0.6 -3,-0.2 3,-0.5 0.918 112.5 48.5 -64.6 -40.5 8.8 39.3 61.2 20 21 A A H >X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 3,-1.3 0.906 107.0 57.2 -66.2 -33.4 8.3 36.0 59.4 21 22 A W H 3X S+ 0 0 39 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.761 94.4 67.4 -70.0 -23.7 6.9 34.4 62.7 22 23 A K H << S+ 0 0 99 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.830 111.8 32.5 -61.9 -33.9 4.3 37.1 62.7 23 24 A V H X<>S+ 0 0 24 -3,-1.3 5,-2.6 -4,-0.6 3,-1.2 0.889 121.9 48.4 -81.6 -48.3 2.8 35.5 59.6 24 25 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.3 123,-0.3 0.878 105.4 55.0 -66.8 -39.9 3.7 31.9 60.4 25 26 A S T 3<5S+ 0 0 61 -4,-2.6 -1,-0.3 1,-0.3 -3,-0.1 0.561 107.4 53.1 -72.5 -7.4 2.4 31.7 64.0 26 27 A K T < 5S- 0 0 155 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.166 124.5-103.1-107.0 16.1 -1.0 32.9 62.7 27 28 A G T < 5S+ 0 0 38 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.726 70.7 151.0 73.3 22.6 -1.2 30.2 60.2 28 29 A G < - 0 0 23 -5,-2.6 119,-0.5 1,-0.1 120,-0.2 -0.306 51.8 -76.4 -80.2 177.3 -0.3 32.3 57.1 29 30 A K > - 0 0 92 1,-0.1 4,-2.2 117,-0.1 3,-0.4 -0.420 27.5-130.5 -76.4 141.5 1.5 31.2 54.0 30 31 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.850 107.3 63.5 -55.3 -37.1 5.2 30.6 53.9 31 32 A L H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 107.2 40.8 -56.3 -47.5 5.4 32.8 50.7 32 33 A D H > S+ 0 0 47 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.915 113.9 54.3 -69.7 -40.9 4.1 35.9 52.7 33 34 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 109.6 45.6 -60.3 -45.8 6.3 35.1 55.7 34 35 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.919 113.9 50.0 -69.4 -36.5 9.6 34.9 53.7 35 36 A E H X S+ 0 0 31 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.945 113.9 44.4 -66.4 -46.5 8.8 38.2 51.8 36 37 A K H X S+ 0 0 114 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.905 111.8 55.6 -60.9 -41.4 8.0 40.0 55.0 37 38 A G H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 3,-0.5 0.948 113.1 36.1 -60.4 -50.4 11.1 38.6 56.7 38 39 A V H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.9 0.850 106.4 67.3 -80.5 -26.2 13.8 39.7 54.2 39 40 A R H 3X S+ 0 0 75 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.856 91.7 65.1 -56.7 -30.5 12.1 43.0 53.4 40 41 A L H 3X S+ 0 0 63 -4,-1.1 4,-0.8 -3,-0.5 -1,-0.2 0.928 107.7 39.5 -56.7 -39.9 12.9 44.0 57.0 41 42 A V H X< S+ 0 0 5 -3,-0.9 3,-0.5 -4,-0.6 -2,-0.2 0.886 110.9 57.3 -82.4 -39.2 16.6 43.8 56.1 42 43 A E H 3< S+ 0 0 0 -4,-2.3 10,-2.5 1,-0.2 -2,-0.2 0.851 107.0 52.7 -55.0 -37.2 16.0 45.4 52.6 43 44 A D H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.765 90.6 89.2 -69.4 -28.9 14.5 48.4 54.5 44 45 A D X< - 0 0 58 -4,-0.8 3,-1.1 -3,-0.5 9,-1.0 -0.580 55.0-165.7 -80.0 119.7 17.4 49.0 56.8 45 46 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 0.725 91.4 62.4 -74.8 -18.3 20.3 51.4 55.7 46 47 A T T 3 S+ 0 0 99 1,-0.1 2,-0.9 2,-0.0 -2,-0.1 0.671 86.9 82.9 -79.7 -13.8 22.6 50.2 58.4 47 48 A E X - 0 0 37 -3,-1.1 3,-0.7 -6,-0.2 6,-0.7 -0.772 62.1-179.7 -88.5 105.7 22.3 46.8 56.6 48 49 A R T 3 + 0 0 19 -2,-0.9 7,-2.3 1,-0.2 -1,-0.1 0.337 69.4 62.7 -90.5 0.8 25.0 47.3 53.9 49 50 A S T 3 S+ 0 0 15 5,-0.2 109,-2.4 1,-0.1 110,-0.5 0.392 103.5 39.9 -93.7 -25.6 24.5 43.9 52.3 50 51 A V S < S- 0 0 0 -3,-0.7 3,-0.6 107,-0.3 4,-0.2 -0.986 105.0 -44.5-148.5 134.9 21.0 44.1 51.1 51 52 A G S > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.2 -8,-0.1 0.071 113.4 25.9 45.6-123.1 18.7 46.7 49.6 52 53 A Y T 3 S+ 0 0 73 -10,-2.5 72,-0.3 33,-0.4 -1,-0.2 0.827 128.6 31.2 -55.4 -55.4 18.7 50.2 50.9 53 54 A G T 3 S+ 0 0 0 -9,-1.0 -1,-0.3 -6,-0.7 -2,-0.1 0.263 89.3 147.7 -91.1 30.7 22.2 50.8 52.5 54 55 A G < - 0 0 0 -3,-1.7 -5,-0.2 -4,-0.2 70,-0.2 -0.219 55.0-110.1 -68.8 138.7 23.9 48.4 50.0 55 56 A R - 0 0 86 -7,-2.3 8,-0.3 104,-0.2 -1,-0.1 -0.424 40.4-123.7 -69.0 135.1 27.4 49.0 48.9 56 57 A P - 0 0 0 0, 0.0 106,-2.7 0, 0.0 6,-0.3 -0.196 20.0-100.4 -75.0 167.0 27.5 50.2 45.2 57 58 A D > - 0 0 0 4,-2.7 3,-2.3 105,-0.2 107,-0.2 -0.145 56.3 -80.5 -68.2-176.2 29.4 48.7 42.2 58 59 A R T 3 S+ 0 0 113 105,-3.0 106,-0.1 1,-0.3 -1,-0.1 0.754 130.9 56.7 -71.5 -17.5 32.6 50.3 41.1 59 60 A D T 3 S- 0 0 75 104,-0.3 -1,-0.3 2,-0.1 105,-0.1 0.221 122.9-102.5 -92.8 13.3 30.8 53.0 39.2 60 61 A G S < S+ 0 0 15 -3,-2.3 2,-0.5 1,-0.2 -2,-0.2 0.689 78.0 137.2 78.7 16.0 28.9 54.1 42.3 61 62 A R - 0 0 85 -6,-0.0 -4,-2.7 2,-0.0 2,-0.9 -0.797 48.1-145.4 -99.8 126.3 25.7 52.3 41.2 62 63 A V + 0 0 10 -2,-0.5 2,-0.5 -6,-0.3 21,-0.5 -0.766 28.8 174.4 -85.9 106.0 23.6 50.3 43.9 63 64 A T - 0 0 1 -2,-0.9 2,-0.3 95,-0.4 19,-0.2 -0.989 13.2-152.9-121.0 135.1 22.2 47.5 41.8 64 65 A L E -C 81 0A 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.3 -0.760 10.2-161.0-116.0 154.6 20.2 44.7 43.5 65 66 A D E + D 0 157A 0 92,-2.1 92,-2.3 -2,-0.3 2,-0.3 -0.971 20.7 149.8-132.2 141.8 19.4 41.0 42.9 66 67 A A E -CD 78 156A 0 12,-2.5 12,-2.5 -2,-0.3 2,-0.3 -0.965 15.8-174.0-165.1 150.1 16.7 38.8 44.4 67 68 A C E -CD 77 155A 0 88,-1.8 88,-2.1 104,-0.4 2,-0.3 -0.963 5.2-162.9-143.8 167.4 14.5 35.9 43.7 68 69 A I E -CD 76 154A 0 8,-2.1 8,-1.7 -2,-0.3 2,-0.3 -0.943 2.2-171.4-144.4 154.6 11.5 34.0 45.4 69 70 A M E -CD 75 153A 0 84,-1.8 84,-2.2 -2,-0.3 6,-0.2 -0.966 10.4-156.2-154.5 132.4 9.9 30.6 44.9 70 71 A D > - 0 0 15 4,-1.9 3,-0.7 -2,-0.3 112,-0.2 -0.267 40.9 -80.9-101.5-164.2 6.7 29.3 46.5 71 72 A E T 3 S+ 0 0 50 1,-0.2 111,-0.3 2,-0.1 80,-0.1 0.444 121.2 51.4 -79.5 -5.7 5.3 25.8 47.3 72 73 A N T 3 S- 0 0 51 2,-0.1 -1,-0.2 109,-0.1 3,-0.1 -0.058 119.0 -92.8-132.3 35.2 4.1 25.1 43.7 73 74 A Y S < S+ 0 0 3 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.683 77.0 141.1 66.2 20.6 7.1 25.8 41.5 74 75 A N + 0 0 33 2,-0.0 -4,-1.9 22,-0.0 2,-0.3 -0.754 27.0 178.1 -90.3 144.8 6.3 29.4 40.8 75 76 A I E -C 69 0A 1 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.963 16.4-173.9-146.3 149.6 9.4 31.7 40.7 76 77 A G E -C 68 0A 0 -8,-1.7 -8,-2.1 -2,-0.3 2,-0.3 -0.972 8.4-177.7-147.0 150.6 10.3 35.3 40.1 77 78 A S E -Ce 67 102A 2 24,-1.2 26,-1.9 -2,-0.3 2,-0.3 -0.999 14.5-173.0-152.5 140.8 13.6 37.1 39.8 78 79 A V E -Ce 66 103A 0 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.4 -0.983 13.9-175.7-128.0 140.0 15.1 40.5 39.3 79 80 A A E + e 0 104A 1 24,-1.4 26,-2.0 -2,-0.3 -14,-0.2 -0.999 63.7 7.4-143.0 141.1 18.9 41.1 38.8 80 81 A C E S+ 0 0 8 -2,-0.4 2,-0.4 1,-0.2 -15,-0.2 0.897 83.2 162.2 58.1 49.3 20.9 44.3 38.5 81 82 A M E -C 64 0A 1 -17,-2.7 -17,-2.9 -3,-0.1 2,-0.3 -0.813 21.8-154.5-100.7 140.0 17.9 46.5 39.4 82 83 A E + 0 0 25 -2,-0.4 -19,-0.1 23,-0.2 39,-0.1 -0.745 60.7 12.4-110.9 155.6 18.3 50.1 40.5 83 84 A H S S+ 0 0 57 -21,-0.5 37,-2.9 -2,-0.3 2,-0.5 0.498 91.3 105.1 67.2 4.7 16.3 52.6 42.6 84 85 A I - 0 0 2 35,-0.2 35,-0.1 -3,-0.1 -1,-0.1 -0.958 53.6-160.3-120.7 111.1 13.8 50.1 44.1 85 86 A K S S+ 0 0 37 -2,-0.5 -33,-0.4 33,-0.5 3,-0.2 0.719 82.2 53.0 -67.5 -24.2 14.4 49.2 47.8 86 87 A N > + 0 0 14 1,-0.2 4,-1.3 -35,-0.1 3,-0.4 -0.732 55.7 162.8-115.0 75.6 12.4 46.0 47.9 87 88 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 73.4 65.0 -60.9 -29.1 13.7 43.8 45.1 88 89 A I H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.888 103.2 48.0 -61.9 -33.1 12.0 40.6 46.7 89 90 A S H > S+ 0 0 6 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.875 109.5 50.0 -77.1 -35.6 8.6 42.2 46.1 90 91 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.914 110.2 53.6 -68.7 -37.1 9.3 43.1 42.4 91 92 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 106.9 50.3 -59.5 -41.4 10.5 39.5 42.0 92 93 A R H X S+ 0 0 28 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.911 109.7 51.6 -63.2 -39.1 7.1 38.3 43.5 93 94 A A H X S+ 0 0 9 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.885 106.8 53.1 -65.8 -36.8 5.3 40.6 40.9 94 95 A V H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 6,-0.4 0.965 113.9 44.4 -57.8 -51.3 7.4 39.0 38.0 95 96 A M H < S+ 0 0 26 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.939 124.5 32.8 -53.7 -54.3 6.2 35.6 39.2 96 97 A E H < S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.798 126.4 33.3 -79.5 -30.3 2.6 36.7 39.7 97 98 A K H < S+ 0 0 127 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.340 108.3 54.1-115.3 5.2 2.0 39.2 37.0 98 99 A T S < S- 0 0 21 -4,-1.2 0, 0.0 2,-0.2 0, 0.0 -0.928 71.7-125.9-134.8 155.9 4.1 38.3 33.9 99 100 A P S S+ 0 0 106 0, 0.0 2,-0.2 0, 0.0 377,-0.1 0.236 92.3 81.9 -79.0 17.6 4.5 35.2 31.7 100 101 A H - 0 0 18 -6,-0.4 -2,-0.2 1,-0.1 3,-0.1 -0.635 64.2-154.7-116.5 175.7 8.3 35.5 32.5 101 102 A V S S+ 0 0 5 349,-0.4 -24,-1.2 1,-0.4 2,-0.4 0.512 77.1 33.7-125.6 -13.1 10.4 34.4 35.5 102 103 A M E +e 77 0A 8 348,-0.3 348,-2.4 -26,-0.2 -1,-0.4 -0.962 53.6 179.5-154.5 126.2 13.4 36.9 35.4 103 104 A L E -eF 78 449A 0 -26,-1.9 -24,-1.4 -2,-0.4 2,-0.3 -0.957 15.2-165.4-121.4 140.7 13.8 40.5 34.4 104 105 A V E >> -e 79 0A 4 344,-1.7 4,-0.9 -2,-0.3 3,-0.9 -0.873 40.8 -18.2-129.5 157.9 17.1 42.4 34.5 105 106 A G H 3> S- 0 0 16 -26,-2.0 4,-1.8 -2,-0.3 3,-0.4 -0.064 122.0 -3.5 61.3-137.7 18.5 45.9 34.4 106 107 A D H 3> S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.856 132.1 57.5 -59.5 -37.3 16.3 48.7 33.0 107 108 A G H <> S+ 0 0 2 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.865 105.2 52.0 -66.4 -31.4 13.5 46.4 32.0 108 109 A A H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.4 -1,-0.2 0.936 111.5 46.3 -70.3 -42.6 13.2 45.2 35.7 109 110 A L H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.933 110.4 52.5 -64.4 -45.4 13.0 48.8 36.9 110 111 A E H X S+ 0 0 87 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.952 112.2 46.9 -54.4 -47.8 10.3 49.8 34.1 111 112 A F H X S+ 0 0 13 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.943 109.3 54.0 -62.3 -43.3 8.2 46.8 35.3 112 113 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.9 0.958 110.1 47.0 -53.7 -48.0 8.6 47.8 39.0 113 114 A L H ><5S+ 0 0 73 -4,-2.4 3,-2.5 1,-0.3 -1,-0.2 0.929 107.1 56.8 -61.2 -39.6 7.3 51.3 38.3 114 115 A S H 3<5S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.767 106.1 53.1 -61.8 -30.3 4.4 49.9 36.2 115 116 A Q T <<5S- 0 0 78 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.239 126.1-100.3 -88.8 8.7 3.5 47.9 39.3 116 117 A G T < 5S+ 0 0 44 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.414 70.5 147.7 93.5 -0.4 3.4 51.0 41.6 117 118 A F < - 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