==== 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 21-MAR-06 2GEZ . COMPND 2 MOLECULE: L-ASPARAGINASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; . AUTHOR K.MICHALSKA,G.BUJACZ,M.JASKOLSKI . 1179 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 259 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 36 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 2 2 0 0 3 9 5 5 2 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 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 . 11 7 4 4 6 10 6 2 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 4 0 0 4 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 G 0 0 114 0, 0.0 2,-0.3 0, 0.0 167,-0.2 0.000 360.0 360.0 360.0 138.5 26.4 -13.0 -15.5 2 3 A G - 0 0 16 165,-0.2 168,-0.1 259,-0.2 2,-0.0 -0.973 360.0-100.9-163.9 153.8 25.6 -9.4 -16.3 3 4 A W - 0 0 24 -2,-0.3 277,-2.4 38,-0.1 278,-0.4 -0.284 32.3-168.7 -67.1 158.3 23.6 -6.3 -15.3 4 5 A S E -AB 166 279A 4 162,-2.2 162,-1.7 275,-0.2 2,-0.3 -0.966 2.8-166.5-142.9 157.1 20.3 -5.3 -16.8 5 6 A I E -AB 165 278A 0 273,-2.4 273,-2.2 -2,-0.3 2,-0.3 -0.996 6.2-177.1-145.0 140.8 18.1 -2.2 -16.6 6 7 A A E +AB 164 277A 0 158,-2.7 158,-3.0 -2,-0.3 2,-0.3 -0.982 10.9 174.4-129.4 147.9 14.5 -1.3 -17.6 7 8 A L E -AB 163 276A 0 269,-2.6 269,-2.2 -2,-0.3 2,-0.3 -0.990 8.5-166.8-149.8 155.0 12.8 2.1 -17.3 8 9 A H E -AB 162 275A 0 154,-3.0 154,-2.3 -2,-0.3 267,-0.2 -0.936 20.8-159.1-137.5 161.0 9.6 3.8 -18.2 9 10 A G E S- 0 0 5 265,-2.1 56,-0.3 1,-0.4 152,-0.2 -0.168 74.5 -48.6-132.4 37.3 8.0 7.3 -18.4 10 11 A G E - 0 0 10 264,-0.4 264,-2.0 54,-0.1 -1,-0.4 0.199 45.7-127.5 114.1 142.7 4.4 6.3 -18.2 11 12 A A E + B 0 273A 18 262,-0.2 2,-0.3 243,-0.1 262,-0.2 -0.841 51.9 88.5-113.7 154.4 1.8 3.9 -19.7 12 13 A G E S- B 0 272A 18 260,-2.1 260,-2.2 -2,-0.3 2,-1.2 -0.989 80.8 -21.3 155.0-160.2 -1.6 4.8 -21.2 13 14 A D + 0 0 127 -2,-0.3 260,-0.0 258,-0.2 -2,-0.0 -0.690 57.4 177.3 -87.6 102.1 -3.4 5.7 -24.3 14 15 A I - 0 0 14 -2,-1.2 4,-0.1 274,-0.1 -2,-0.1 -0.915 26.7-129.0-107.8 114.3 -0.6 7.1 -26.6 15 16 A P > - 0 0 47 0, 0.0 3,-0.6 0, 0.0 -2,-0.0 -0.198 16.8-137.5 -72.6 151.3 -2.1 7.9 -30.0 16 17 A F T 3 S+ 0 0 201 1,-0.2 2,-0.2 273,-0.0 273,-0.0 0.663 110.7 70.4 -59.8 -22.1 -1.0 7.0 -33.5 17 18 A S T 3 S+ 0 0 94 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.115 73.9 142.1 -85.5 35.7 -1.9 10.7 -33.8 18 19 A L < - 0 0 21 -3,-0.6 -4,-0.0 -2,-0.2 5,-0.0 -0.719 45.8-137.3 -93.6 118.2 1.2 11.6 -31.8 19 20 A P >> - 0 0 37 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.347 14.1-124.6 -72.7 146.1 3.0 14.8 -32.9 20 21 A P H 3> S+ 0 0 68 0, 0.0 4,-3.2 0, 0.0 3,-0.3 0.936 106.5 64.2 -50.7 -51.6 6.8 14.8 -33.1 21 22 A E H 34 S+ 0 0 140 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.654 115.8 32.5 -51.8 -18.9 7.2 17.9 -30.7 22 23 A R H <4 S+ 0 0 77 -3,-1.1 4,-0.3 2,-0.1 -1,-0.3 0.616 121.8 50.4-104.9 -25.5 5.7 15.8 -28.0 23 24 A R H >X S+ 0 0 77 -4,-1.8 4,-2.3 -3,-0.3 3,-0.9 0.942 106.7 50.8 -74.6 -50.9 7.2 12.5 -29.2 24 25 A K H 3X S+ 0 0 109 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.869 105.9 51.7 -62.1 -45.3 10.8 13.5 -29.6 25 26 A P H 3> S+ 0 0 37 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.672 113.6 47.7 -68.6 -14.0 11.5 15.1 -26.1 26 27 A R H <> S+ 0 0 21 -3,-0.9 4,-2.8 -4,-0.3 -2,-0.2 0.827 112.6 47.2 -88.9 -42.0 10.1 11.9 -24.6 27 28 A E H X S+ 0 0 44 -4,-2.3 4,-2.2 2,-0.2 -3,-0.2 0.888 116.4 44.7 -60.3 -41.6 12.2 9.7 -26.8 28 29 A E H X S+ 0 0 117 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.856 112.3 54.0 -68.6 -35.4 15.2 11.9 -26.0 29 30 A G H X S+ 0 0 4 -4,-0.6 4,-1.7 -5,-0.3 -2,-0.2 0.940 110.8 44.5 -62.9 -49.6 14.1 11.8 -22.3 30 31 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.885 114.5 49.0 -61.8 -44.5 14.1 8.0 -22.3 31 32 A R H X S+ 0 0 141 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.925 108.8 52.6 -61.0 -49.0 17.4 7.7 -24.1 32 33 A H H X S+ 0 0 70 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.882 113.2 44.0 -53.5 -43.7 19.2 10.2 -21.8 33 34 A C H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.879 107.6 57.2 -76.5 -38.8 18.1 8.3 -18.7 34 35 A L H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.933 110.2 46.6 -49.3 -49.0 18.9 4.8 -20.1 35 36 A Q H X S+ 0 0 133 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.841 110.4 53.0 -66.5 -36.2 22.5 6.1 -20.7 36 37 A I H X S+ 0 0 52 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.920 114.9 40.4 -65.9 -44.2 22.6 7.5 -17.1 37 38 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.843 114.9 51.3 -72.2 -38.6 21.5 4.2 -15.6 38 39 A V H X S+ 0 0 26 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.947 109.0 50.6 -63.6 -53.0 23.7 2.1 -17.9 39 40 A E H X S+ 0 0 126 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.845 109.8 53.2 -54.2 -32.2 26.8 4.2 -17.1 40 41 A A H <>S+ 0 0 7 -4,-1.2 5,-2.4 2,-0.2 -2,-0.2 0.945 110.8 44.3 -70.1 -44.1 25.9 3.7 -13.4 41 42 A L H ><5S+ 0 0 5 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.871 109.4 55.8 -65.5 -42.1 25.8 -0.1 -13.7 42 43 A K H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.900 109.9 46.4 -53.2 -46.0 29.0 -0.3 -15.8 43 44 A A T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.367 118.8-123.2 -77.4 0.4 30.6 1.6 -12.8 44 45 A Q T < 5 + 0 0 145 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.844 45.6 171.5 63.1 39.1 28.9 -1.0 -10.6 45 46 A K < - 0 0 112 -5,-2.4 -1,-0.2 1,-0.1 5,-0.1 -0.450 49.3 -84.7 -65.0 151.3 26.9 1.4 -8.4 46 47 A P > - 0 0 65 0, 0.0 4,-2.3 0, 0.0 3,-0.2 -0.416 35.9-121.6 -64.2 138.5 24.4 -0.4 -6.2 47 48 A P H > S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.853 114.0 54.1 -38.8 -50.0 21.1 -1.1 -8.0 48 49 A L H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.945 110.3 45.5 -54.9 -52.7 19.2 0.8 -5.3 49 50 A D H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 113.5 53.2 -56.2 -39.6 21.5 3.8 -5.9 50 51 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.861 106.9 47.9 -69.1 -41.5 21.0 3.3 -9.6 51 52 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.889 112.3 49.6 -71.8 -35.6 17.2 3.3 -9.6 52 53 A E H X S+ 0 0 33 -4,-1.9 4,-3.3 -5,-0.2 -2,-0.2 0.934 112.8 49.1 -58.7 -44.6 17.1 6.5 -7.5 53 54 A L H X S+ 0 0 70 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.919 115.2 41.9 -66.7 -42.4 19.5 8.2 -9.8 54 55 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.961 116.1 48.2 -70.8 -50.5 17.6 7.2 -13.0 55 56 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.924 107.5 58.0 -55.9 -41.8 14.2 8.0 -11.5 56 57 A R H X S+ 0 0 77 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.935 110.7 42.6 -50.2 -49.2 15.6 11.3 -10.3 57 58 A E H X S+ 0 0 54 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.884 109.6 55.2 -68.5 -41.6 16.5 12.2 -13.9 58 59 A L H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 6,-0.3 0.853 109.1 51.5 -56.9 -35.1 13.2 10.9 -15.3 59 60 A E H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 7,-0.2 0.947 102.3 57.6 -63.1 -50.7 11.6 13.3 -12.8 60 61 A N H < S+ 0 0 65 -4,-2.0 2,-0.9 -5,-0.2 -1,-0.2 0.617 85.4 94.1 -61.0 -12.1 13.7 16.2 -14.0 61 62 A I >< - 0 0 28 -4,-0.8 3,-2.2 -3,-0.4 5,-0.2 -0.734 69.3-153.2 -83.1 107.9 12.3 15.7 -17.5 62 63 A E T 3 S+ 0 0 94 -2,-0.9 -1,-0.1 1,-0.3 82,-0.1 0.626 87.1 68.8 -56.4 -15.5 9.3 18.1 -17.7 63 64 A H T 3 S+ 0 0 54 -38,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.543 88.8 75.5 -87.5 -6.3 7.6 15.9 -20.3 64 65 A F S < S- 0 0 3 -3,-2.2 2,-1.9 4,-0.3 97,-0.1 -0.884 89.1-112.9-108.8 146.4 6.9 13.0 -17.8 65 66 A N S S+ 0 0 36 -2,-0.4 114,-1.1 -56,-0.3 115,-0.5 -0.457 87.7 71.9 -74.8 79.7 4.2 12.9 -15.1 66 67 A A S S- 0 0 0 -2,-1.9 -2,-0.2 112,-0.3 113,-0.2 -0.870 97.1 -6.1 176.4 151.1 6.5 13.0 -12.0 67 68 A G S > S+ 0 0 0 111,-0.3 3,-1.8 -2,-0.3 2,-0.2 -0.157 131.4 13.2 43.3-138.7 8.6 15.6 -10.3 68 69 A I T 3 S+ 0 0 28 34,-0.4 -4,-0.3 1,-0.3 -2,-0.2 -0.489 136.4 34.5 -66.7 130.2 8.7 18.7 -12.6 69 70 A G T 3 S+ 0 0 3 73,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.503 84.1 156.7 93.8 9.1 5.8 18.1 -15.1 70 71 A S < - 0 0 0 -3,-1.8 74,-0.3 72,-0.4 -1,-0.2 -0.327 46.2-104.3 -60.2 146.0 3.6 16.2 -12.5 71 72 A V - 0 0 11 109,-0.1 8,-0.5 1,-0.1 2,-0.3 -0.145 38.7-109.1 -70.0 169.8 -0.1 16.2 -13.3 72 73 A L - 0 0 3 75,-0.3 111,-3.2 6,-0.1 112,-0.5 -0.762 16.2-127.0-112.3 151.0 -2.6 18.4 -11.4 73 74 A T B > -i 184 0B 0 4,-2.2 3,-2.0 -2,-0.3 112,-0.2 -0.220 46.0 -90.0 -74.6 174.0 -5.4 17.9 -8.9 74 75 A N T 3 S+ 0 0 86 110,-2.3 111,-0.1 1,-0.3 -1,-0.1 0.748 131.9 54.9 -57.6 -21.6 -8.9 19.1 -9.2 75 76 A S T 3 S- 0 0 79 109,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.371 120.7-108.6 -91.5 5.5 -7.5 22.3 -7.4 76 77 A G S < S+ 0 0 24 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.759 77.9 131.8 76.4 25.6 -4.8 22.8 -10.0 77 78 A T - 0 0 58 2,-0.0 -4,-2.2 66,-0.0 2,-0.5 -0.624 59.2-115.2-110.5 167.5 -2.1 21.8 -7.4 78 79 A V + 0 0 2 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.1 -0.872 29.8 173.4-104.3 124.9 0.8 19.3 -7.5 79 80 A E - 0 0 25 -2,-0.5 2,-0.2 -8,-0.5 20,-0.2 -0.837 15.8-170.0-135.0 102.6 0.7 16.3 -5.2 80 81 A M E -C 98 0A 0 18,-3.3 18,-2.2 -2,-0.4 2,-0.3 -0.578 8.0-175.6-101.6 150.0 3.6 13.9 -5.9 81 82 A E E + D 0 178A 2 97,-2.4 97,-2.4 -2,-0.2 2,-0.3 -0.996 5.0 169.7-145.3 146.7 4.3 10.4 -4.7 82 83 A A E -CD 95 177A 0 13,-1.6 13,-2.2 -2,-0.3 2,-0.3 -0.961 11.6-163.2-148.8 165.9 7.2 7.9 -4.9 83 84 A S E -CD 94 176A 0 93,-2.0 93,-2.6 -2,-0.3 2,-0.3 -0.981 2.5-170.9-154.0 150.6 8.5 4.6 -3.6 84 85 A I E -CD 93 175A 0 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.973 6.4-174.8-144.3 145.2 11.8 2.8 -3.6 85 86 A M E -CD 92 174A 0 89,-2.2 89,-2.1 -2,-0.3 2,-0.6 -0.971 18.7-147.5-152.3 133.6 12.7 -0.8 -2.6 86 87 A D E >> -CD 91 173A 22 5,-2.3 4,-2.5 -2,-0.3 5,-0.6 -0.879 8.6-162.7-104.2 118.1 15.9 -2.9 -2.2 87 88 A G T 45S+ 0 0 1 85,-1.8 86,-0.1 -2,-0.6 -1,-0.1 0.731 87.5 57.6 -78.5 -22.0 15.2 -6.6 -3.0 88 89 A N T 45S+ 0 0 82 84,-0.7 -1,-0.2 1,-0.1 115,-0.1 0.790 125.4 20.9 -76.2 -28.3 18.4 -7.8 -1.3 89 90 A T T 45S- 0 0 64 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.584 94.8-129.3-107.3 -17.4 17.4 -6.2 2.0 90 91 A M T <5 + 0 0 48 -4,-2.5 -3,-0.2 1,-0.2 2,-0.1 0.589 53.9 156.9 67.1 14.7 13.6 -5.8 1.6 91 92 A K E < -C 86 0A 93 -5,-0.6 -5,-2.3 -6,-0.0 2,-0.3 -0.457 20.3-169.0 -72.7 146.6 14.1 -2.1 2.7 92 93 A C E -C 85 0A 3 -7,-0.2 2,-0.3 20,-0.1 -7,-0.2 -0.963 16.0-175.8-138.1 151.0 11.4 0.2 1.5 93 94 A G E +C 84 0A 0 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.3 -0.989 8.4 170.2-149.3 142.7 10.6 3.9 1.3 94 95 A A E -Ce 83 119A 1 24,-2.8 26,-1.9 -2,-0.3 2,-0.3 -0.998 10.4-174.2-151.8 150.1 7.7 5.9 0.2 95 96 A V E -Ce 82 120A 0 -13,-2.2 -13,-1.6 -2,-0.3 2,-0.3 -0.936 6.9-179.3-132.9 155.6 6.3 9.5 0.2 96 97 A S E + e 0 121A 0 24,-0.9 26,-2.0 -2,-0.3 -15,-0.2 -0.956 59.3 33.6-145.7 165.4 2.9 11.0 -0.9 97 98 A G E S+ 0 0 6 -2,-0.3 2,-0.3 24,-0.2 29,-0.2 0.799 71.3 158.4 59.1 35.9 1.4 14.4 -1.0 98 99 A L E +C 80 0A 0 -18,-2.2 -18,-3.3 1,-0.1 -1,-0.2 -0.688 12.6 163.3 -88.6 145.9 4.5 16.3 -1.9 99 100 A S S S+ 0 0 40 -2,-0.3 43,-0.2 -20,-0.2 -1,-0.1 0.585 73.1 32.4-133.1 -25.5 4.3 19.7 -3.5 100 101 A T S S+ 0 0 35 38,-0.1 37,-2.4 41,-0.0 2,-0.6 0.357 87.3 110.4-119.4 3.6 7.6 21.6 -3.2 101 102 A V B -J 136 0C 2 35,-0.2 35,-0.2 1,-0.1 -34,-0.1 -0.743 52.5-156.9 -96.0 116.8 10.0 18.8 -3.4 102 103 A L S S+ 0 0 16 33,-2.0 -34,-0.4 -2,-0.6 -1,-0.1 0.851 86.8 25.4 -61.2 -43.6 12.2 18.5 -6.5 103 104 A N >> + 0 0 8 32,-0.4 4,-1.3 1,-0.1 3,-0.8 -0.704 63.9 178.0-127.4 80.3 13.0 14.8 -6.4 104 105 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -22,-0.2 0.826 80.6 60.5 -49.0 -40.8 10.4 12.9 -4.4 105 106 A I H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 101.7 53.2 -58.3 -41.4 12.1 9.5 -5.0 106 107 A S H <> S+ 0 0 10 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.891 108.4 50.3 -62.9 -33.1 15.2 10.8 -3.2 107 108 A L H X S+ 0 0 1 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.896 106.4 54.9 -71.3 -33.7 13.0 11.8 -0.2 108 109 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.4 0.914 107.2 51.1 -63.9 -38.1 11.5 8.2 -0.3 109 110 A R H X S+ 0 0 42 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.920 105.6 56.0 -60.3 -46.0 15.1 6.9 -0.0 110 111 A L H X S+ 0 0 29 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.791 105.3 50.7 -59.5 -29.4 15.7 9.1 3.0 111 112 A V H X S+ 0 0 0 -4,-1.3 4,-1.3 -3,-0.4 6,-0.4 0.902 112.2 48.1 -74.3 -47.5 12.7 7.7 4.9 112 113 A M H < S+ 0 0 19 -4,-1.7 -2,-0.2 6,-0.2 -1,-0.2 0.962 123.9 32.0 -45.5 -56.2 14.0 4.3 4.2 113 114 A D H < S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.789 130.6 27.4 -85.2 -32.9 17.5 5.3 5.4 114 115 A K H < S+ 0 0 129 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.425 112.6 59.1-112.8 -3.6 17.0 7.9 8.1 115 116 A T S < S- 0 0 20 -4,-1.3 0, 0.0 -5,-0.3 0, 0.0 -0.847 72.9-129.9-127.8 154.0 13.6 7.0 9.6 116 117 A P S S+ 0 0 84 0, 0.0 2,-0.2 0, 0.0 399,-0.1 0.323 88.5 77.0 -84.0 10.7 12.2 3.9 11.3 117 118 A H - 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