==== 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 15-JUN-99 9GAA . COMPND 2 MOLECULE: PROTEIN (GLYCOSYLASPARAGINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ELIZABETHKINGIA MENINGOSEPTICA; . AUTHOR H.-C.GUO,Q.XU . 558 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 21.1 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 . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 2 4 2 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 . 3 0 0 6 7 2 3 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 84 0, 0.0 2,-0.8 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 132.9 6.8 17.7 61.2 2 3 A N - 0 0 53 247,-2.9 3,-0.1 265,-0.0 142,-0.0 -0.880 360.0-166.8 -93.5 110.1 8.2 20.7 63.0 3 4 A K + 0 0 74 -2,-0.8 142,-0.1 1,-0.3 143,-0.1 -0.969 50.2 34.8-159.9 148.6 6.2 23.5 61.5 4 5 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 264,-0.3 0.646 75.4 151.3 -68.2 159.3 6.1 26.4 61.1 5 6 A I E -A 144 0A 0 139,-2.0 139,-3.0 262,-0.1 2,-0.3 -0.976 23.2-167.5-153.2 142.4 9.8 27.1 61.0 6 7 A V E -AB 143 266A 0 260,-2.1 260,-2.7 -2,-0.3 2,-0.4 -0.978 3.9-173.1-128.2 137.9 11.8 30.0 59.2 7 8 A L E +AB 142 265A 0 135,-2.8 135,-2.3 -2,-0.3 2,-0.3 -0.981 7.5 176.6-127.0 147.7 15.6 30.0 58.7 8 9 A S E -AB 141 264A 0 256,-2.2 256,-2.3 -2,-0.4 133,-0.2 -0.974 31.1 -94.8-146.1 159.2 17.6 32.9 57.3 9 10 A T E S- B 0 263A 2 131,-2.2 4,-0.3 -2,-0.3 254,-0.2 -0.502 75.0 -10.9 -80.3 141.1 21.2 33.8 56.7 10 11 A W S > S- 0 0 67 252,-2.1 3,-1.5 -2,-0.2 254,-0.3 0.205 95.8 -56.2 68.8 179.7 23.5 35.7 59.0 11 12 A N T >> S+ 0 0 89 1,-0.3 3,-2.1 2,-0.2 4,-0.6 0.873 129.6 61.9 -64.3 -41.0 22.9 37.8 62.2 12 13 A F H 3> S+ 0 0 16 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.729 87.0 79.3 -62.3 -12.5 20.4 40.1 60.7 13 14 A G H <> S+ 0 0 0 -3,-1.5 4,-2.6 -4,-0.3 -1,-0.3 0.729 81.4 64.1 -64.4 -24.0 18.4 36.9 60.1 14 15 A L H <> S+ 0 0 50 -3,-2.1 4,-1.3 -4,-0.2 -1,-0.2 0.973 108.8 39.1 -66.8 -46.4 17.2 36.9 63.7 15 16 A H H X S+ 0 0 96 -4,-0.6 4,-1.5 2,-0.2 3,-0.3 0.884 114.6 52.5 -66.4 -45.8 15.3 40.2 63.2 16 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.924 107.5 55.0 -56.5 -41.8 14.2 39.2 59.8 17 18 A N H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.821 99.4 58.8 -60.0 -35.8 12.8 36.1 61.4 18 19 A V H X S+ 0 0 69 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.917 108.7 46.5 -63.2 -44.6 10.7 38.0 64.0 19 20 A E H X S+ 0 0 42 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.918 113.3 48.0 -62.1 -43.1 8.9 39.7 61.0 20 21 A A H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.3 0.916 107.0 56.8 -62.4 -40.0 8.4 36.3 59.2 21 22 A W H 3X S+ 0 0 44 -4,-2.6 4,-3.3 1,-0.3 5,-0.2 0.846 94.5 67.4 -64.5 -31.3 7.1 34.7 62.5 22 23 A K H 3< S+ 0 0 106 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.856 111.3 34.1 -55.8 -33.3 4.4 37.4 62.7 23 24 A V H X<>S+ 0 0 28 -3,-1.3 5,-2.1 -4,-0.7 3,-1.6 0.917 121.6 45.9 -82.0 -54.9 2.9 35.8 59.5 24 25 A L H ><5S+ 0 0 2 -4,-2.5 3,-2.2 1,-0.3 122,-0.3 0.879 105.1 59.0 -60.5 -47.5 3.8 32.2 60.2 25 26 A S T 3<5S+ 0 0 57 -4,-3.3 -1,-0.3 1,-0.3 -3,-0.1 0.605 106.4 51.2 -57.9 -13.9 2.6 32.2 63.9 26 27 A K T < 5S- 0 0 174 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.173 126.4-100.7-105.8 16.4 -0.9 33.2 62.7 27 28 A G T < 5S+ 0 0 44 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.821 70.9 157.3 70.0 28.8 -1.0 30.3 60.1 28 29 A G < - 0 0 22 -5,-2.1 118,-0.5 1,-0.1 119,-0.2 -0.411 48.7 -81.1 -77.7 161.1 -0.1 32.7 57.2 29 30 A K > - 0 0 86 1,-0.1 4,-2.3 116,-0.1 3,-0.4 -0.417 27.2-128.4 -65.4 142.8 1.5 31.5 53.9 30 31 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.860 108.3 61.2 -56.9 -37.8 5.2 30.9 53.7 31 32 A L H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 107.3 42.1 -57.2 -45.6 5.3 33.2 50.6 32 33 A D H > S+ 0 0 51 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.898 113.1 53.9 -72.1 -38.0 4.1 36.2 52.5 33 34 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.904 109.9 45.3 -62.2 -41.6 6.3 35.5 55.6 34 35 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.917 114.9 48.4 -74.8 -33.0 9.6 35.2 53.6 35 36 A E H X S+ 0 0 32 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.919 114.0 46.6 -70.3 -43.1 8.8 38.4 51.6 36 37 A K H X S+ 0 0 68 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.921 113.2 50.8 -58.6 -45.7 7.9 40.3 54.7 37 38 A G H >X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 3,-0.7 0.950 113.0 40.8 -65.7 -47.5 11.0 39.0 56.5 38 39 A V H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.4 0.851 106.0 66.4 -76.0 -20.7 13.7 40.0 53.9 39 40 A R H 3X S+ 0 0 79 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.785 91.2 63.6 -63.2 -31.1 11.9 43.2 53.2 40 41 A L H < - 0 0 52 -4,-1.0 9,-1.2 -3,-0.3 3,-0.6 -0.569 55.7-167.3 -78.0 118.1 17.2 49.1 56.6 45 46 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 79,-0.1 0.662 90.8 59.2 -74.8 -20.6 20.0 51.5 55.5 46 47 A T T 3 S+ 0 0 96 1,-0.1 2,-1.1 2,-0.0 -2,-0.1 0.553 87.0 84.9 -85.8 -4.0 22.4 50.3 58.1 47 48 A E X - 0 0 44 -3,-0.6 6,-0.9 -6,-0.2 3,-0.7 -0.814 65.6-179.6 -94.2 97.2 21.9 46.9 56.4 48 49 A R T 3 + 0 0 21 -2,-1.1 7,-1.5 1,-0.2 -1,-0.1 0.320 67.5 52.5 -86.0 -0.4 24.6 47.7 53.7 49 50 A S T 3 S+ 0 0 20 5,-0.2 108,-2.7 88,-0.1 109,-0.6 0.350 103.4 54.5-112.2 -5.1 24.4 44.5 51.7 50 51 A V S < S- 0 0 0 -3,-0.7 3,-0.8 106,-0.3 4,-0.3 -0.981 109.1 -54.1-132.4 132.2 20.7 44.3 51.0 51 52 A G S > S+ 0 0 0 -2,-0.4 3,-2.0 1,-0.2 -8,-0.1 0.163 116.0 27.5 42.4-120.2 18.5 47.0 49.3 52 53 A Y T 3 S+ 0 0 74 -10,-2.5 72,-0.3 33,-0.4 -1,-0.2 0.796 125.7 36.2 -61.5 -44.3 18.6 50.5 50.8 53 54 A G T 3 S+ 0 0 0 -9,-1.2 -1,-0.3 -6,-0.9 -2,-0.1 0.398 90.5 146.7 -86.7 17.0 22.0 50.9 52.6 54 55 A G < - 0 0 0 -3,-2.0 70,-0.2 -4,-0.3 -5,-0.2 -0.066 54.2-117.2 -55.8 141.4 23.7 48.8 49.8 55 56 A R - 0 0 81 -7,-1.5 8,-0.2 103,-0.2 -1,-0.1 -0.581 37.8-125.3 -77.9 131.2 27.2 49.5 48.6 56 57 A P - 0 0 0 0, 0.0 105,-2.5 0, 0.0 6,-0.3 -0.114 22.6 -96.9 -75.3 171.8 27.1 50.6 44.9 57 58 A D > - 0 0 0 4,-2.5 3,-2.4 104,-0.2 106,-0.2 -0.213 55.6 -81.7 -71.9-175.8 29.0 49.0 42.0 58 59 A R T 3 S+ 0 0 116 104,-2.9 105,-0.1 1,-0.3 -1,-0.1 0.734 130.8 59.3 -69.3 -16.1 32.3 50.7 40.9 59 60 A D T 3 S- 0 0 77 103,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.328 122.7-104.0 -87.0 1.3 30.4 53.3 38.9 60 61 A G S < S+ 0 0 13 -3,-2.4 2,-0.5 1,-0.2 -2,-0.2 0.570 78.4 134.3 88.4 8.4 28.6 54.4 42.0 61 62 A R - 0 0 108 -6,-0.1 -4,-2.5 -5,-0.0 2,-1.0 -0.694 50.0-144.4-100.4 130.0 25.3 52.7 41.2 62 63 A V + 0 0 8 -2,-0.5 21,-0.5 -6,-0.3 2,-0.5 -0.777 28.3 175.6 -85.2 109.6 23.3 50.7 43.7 63 64 A T E -C 82 0A 1 -2,-1.0 2,-0.3 94,-0.3 19,-0.2 -0.984 13.9-150.7-121.2 132.3 21.8 47.9 41.6 64 65 A L E -C 81 0A 0 17,-3.1 17,-2.3 -2,-0.5 2,-0.3 -0.705 9.1-162.3-106.3 149.3 19.8 45.2 43.4 65 66 A D E + D 0 156A 0 91,-1.7 91,-1.9 -2,-0.3 2,-0.3 -0.919 20.1 152.3-125.9 145.3 19.2 41.5 42.7 66 67 A A E -CD 78 155A 0 12,-2.6 12,-2.7 -2,-0.3 2,-0.3 -0.949 16.3-174.4-166.8 152.6 16.4 39.2 44.1 67 68 A C E -CD 77 154A 0 87,-1.7 87,-2.1 103,-0.3 2,-0.3 -0.978 4.7-165.3-146.9 165.9 14.3 36.2 43.5 68 69 A I E -CD 76 153A 0 8,-2.2 8,-2.2 -2,-0.3 2,-0.3 -0.965 0.9-170.1-147.0 156.5 11.4 34.4 45.2 69 70 A M E -CD 75 152A 0 83,-1.7 83,-2.3 -2,-0.3 6,-0.2 -0.964 9.1-157.4-156.1 132.0 9.8 31.0 44.8 70 71 A D > - 0 0 16 4,-1.8 3,-0.7 -2,-0.3 111,-0.2 -0.216 40.3 -83.1-100.3-168.8 6.6 29.7 46.3 71 72 A E T 3 S+ 0 0 49 1,-0.2 110,-0.3 2,-0.1 79,-0.1 0.527 118.9 53.5 -79.1 -3.7 5.3 26.2 47.0 72 73 A N T 3 S- 0 0 50 2,-0.1 -1,-0.2 108,-0.1 3,-0.1 -0.048 119.9 -91.8-129.4 41.8 3.9 25.5 43.5 73 74 A Y S < S+ 0 0 8 -3,-0.7 2,-0.2 1,-0.3 -2,-0.1 0.508 79.1 140.6 67.2 9.5 6.9 26.1 41.2 74 75 A N + 0 0 34 2,-0.0 -4,-1.8 22,-0.0 2,-0.3 -0.573 26.7 177.3 -79.3 145.9 6.1 29.8 40.6 75 76 A I E -C 69 0A 1 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.988 16.1-170.9-148.2 150.0 9.2 32.0 40.6 76 77 A G E -C 68 0A 0 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.4 -0.995 9.0-178.6-145.1 145.7 10.1 35.6 40.0 77 78 A S E -Ce 67 102A 4 24,-1.3 26,-1.8 -2,-0.3 2,-0.3 -0.999 13.6-176.3-151.4 145.1 13.4 37.3 39.6 78 79 A V E -Ce 66 103A 0 -12,-2.7 -12,-2.6 -2,-0.4 2,-0.4 -0.996 11.9-173.6-133.1 140.9 14.9 40.7 39.1 79 80 A A E + e 0 104A 0 24,-1.6 26,-2.2 -2,-0.3 -14,-0.2 -0.997 62.9 3.8-142.4 142.5 18.6 41.6 38.6 80 81 A C E S+ 0 0 11 -2,-0.4 2,-0.4 1,-0.2 -15,-0.2 0.938 81.9 160.8 54.7 50.7 20.7 44.8 38.4 81 82 A M E -C 64 0A 0 -17,-2.3 -17,-3.1 -3,-0.1 2,-0.3 -0.870 23.8-150.3-101.9 138.7 17.6 46.9 39.0 82 83 A E E +C 63 0A 33 -2,-0.4 -19,-0.1 -19,-0.2 39,-0.1 -0.795 61.3 11.8-114.8 152.7 18.0 50.4 40.2 83 84 A H S S+ 0 0 50 -21,-0.5 37,-2.9 -2,-0.3 2,-0.6 0.388 89.9 107.7 66.5 5.5 16.1 52.9 42.4 84 85 A I - 0 0 2 35,-0.2 35,-0.1 1,-0.1 -1,-0.1 -0.926 52.8-160.4-110.5 115.5 13.6 50.4 43.8 85 86 A K S S+ 0 0 34 -2,-0.6 -33,-0.4 33,-0.4 -1,-0.1 0.773 82.5 51.1 -65.0 -24.9 14.2 49.6 47.6 86 87 A N >> + 0 0 14 1,-0.2 4,-1.1 -35,-0.1 3,-0.5 -0.754 56.4 163.5-114.9 74.4 12.3 46.4 47.7 87 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.801 73.6 66.7 -60.8 -25.4 13.5 44.1 44.8 88 89 A I H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.889 103.1 45.2 -65.3 -34.5 11.9 41.0 46.5 89 90 A S H <> S+ 0 0 7 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.839 112.3 50.6 -77.4 -29.6 8.3 42.5 45.9 90 91 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.916 111.1 49.8 -71.9 -39.9 9.2 43.5 42.3 91 92 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.901 109.2 51.3 -60.1 -42.0 10.4 39.9 41.8 92 93 A R H X S+ 0 0 27 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.898 110.0 50.7 -61.1 -39.3 7.1 38.6 43.3 93 94 A A H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.892 105.1 54.7 -69.1 -35.9 5.3 40.9 40.8 94 95 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.975 113.1 46.1 -58.6 -47.2 7.3 39.4 37.9 95 96 A M H < S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 122.1 32.0 -57.4 -52.3 6.1 36.0 39.1 96 97 A E H < S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.808 127.1 35.6 -85.4 -23.6 2.4 36.9 39.6 97 98 A K H < S+ 0 0 134 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.398 108.7 50.9-117.0 -3.2 1.9 39.5 36.9 98 99 A T S < S- 0 0 18 -4,-1.5 0, 0.0 2,-0.3 0, 0.0 -0.864 71.2-127.7-125.1 164.3 3.9 38.5 33.8 99 100 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.703 90.8 87.0 -73.3 -21.1 4.3 35.3 31.8 100 101 A H - 0 0 7 1,-0.1 -2,-0.3 -6,-0.1 3,-0.1 -0.221 63.8-157.0 -79.1 169.5 8.1 35.8 32.4 101 102 A V S S+ 0 0 2 347,-0.3 -24,-1.3 1,-0.3 2,-0.4 0.569 74.9 34.0-121.9 -21.1 10.2 34.7 35.2 102 103 A M E -e 77 0A 5 346,-0.4 346,-2.2 -26,-0.2 2,-0.3 -0.984 53.0-179.9-146.5 130.5 13.3 37.2 35.1 103 104 A L E -eF 78 447A 0 -26,-1.8 -24,-1.6 -2,-0.4 2,-0.3 -0.967 13.8-166.5-119.5 140.0 13.6 40.8 34.2 104 105 A V E > -e 79 0A 2 342,-1.6 3,-0.8 -2,-0.3 4,-0.4 -0.957 41.8 -17.7-131.7 152.7 17.0 42.7 34.3 105 106 A G T >> S- 0 0 17 -26,-2.2 4,-1.7 -2,-0.3 3,-0.6 -0.261 121.4 -5.8 68.3-144.6 18.2 46.3 34.2 106 107 A D H 3> S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.858 131.5 59.9 -55.3 -40.1 16.0 49.1 32.9 107 108 A G H <> S+ 0 0 3 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.883 105.4 49.6 -60.2 -35.6 13.2 46.7 31.8 108 109 A A H <> S+ 0 0 0 -3,-0.6 4,-2.1 -4,-0.4 -1,-0.2 0.891 112.8 46.0 -70.5 -36.9 12.9 45.6 35.5 109 110 A L H X S+ 0 0 23 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.962 111.4 52.5 -70.9 -44.6 12.7 49.2 36.7 110 111 A E H X S+ 0 0 85 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.928 111.8 46.9 -54.4 -45.3 10.2 50.1 34.0 111 112 A F H X S+ 0 0 12 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.902 110.5 52.7 -64.4 -39.5 8.0 47.1 35.1 112 113 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 3,-0.7 0.930 109.2 47.6 -60.9 -45.1 8.4 48.1 38.7 113 114 A L H ><5S+ 0 0 73 -4,-2.6 3,-2.7 1,-0.3 -2,-0.2 0.962 108.6 56.7 -63.8 -39.6 7.2 51.7 38.0 114 115 A S H 3<5S+ 0 0 83 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.753 106.9 50.3 -60.1 -25.9 4.3 50.1 36.0 115 116 A Q T <<5S- 0 0 72 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.362 126.3 -98.6 -95.7 4.3 3.3 48.2 39.1 116 117 A G T < 5S+ 0 0 52 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.442 70.3 147.3 100.3 -1.2 3.4 51.2 41.4 117 118 A F < - 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