==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-NOV-12 4I12 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.LOUGHEED,E BRECHT,N.H.YAO . 374 4 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.3 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 . 53 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 3 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 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 . 1 4 2 4 2 4 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 3 0 0 0 1 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 63 A M > 0 0 81 0, 0.0 3,-1.1 0, 0.0 158,-0.5 0.000 360.0 360.0 360.0 -18.4 13.5 -14.9 33.1 2 64 A V T 3 + 0 0 64 1,-0.2 156,-0.1 156,-0.1 158,-0.0 -0.393 360.0 17.2 -58.2 137.2 12.5 -18.7 33.1 3 65 A D T 3 S+ 0 0 128 149,-0.1 -1,-0.2 1,-0.1 155,-0.2 0.767 85.8 133.8 72.5 29.0 9.2 -19.2 31.1 4 66 A N < + 0 0 1 -3,-1.1 12,-0.7 84,-0.1 2,-0.3 0.376 50.9 69.3 -98.8 10.4 9.6 -15.8 29.5 5 67 A L E -A 15 0A 0 152,-2.3 2,-0.3 10,-0.2 10,-0.2 -0.855 56.1-168.5-123.2 155.6 8.8 -16.9 25.8 6 68 A R E +A 14 0A 90 8,-1.8 8,-2.4 -2,-0.3 2,-0.3 -0.948 36.0 62.0-141.2 158.8 5.8 -18.1 24.0 7 69 A G E -A 13 0A 31 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.775 57.4 -96.7 129.7-166.9 5.1 -19.7 20.7 8 70 A K E >> -A 12 0A 159 4,-1.2 4,-2.0 -2,-0.3 3,-0.7 -0.887 35.2 -99.4-151.9 164.9 5.8 -22.7 18.4 9 71 A S T 34 S+ 0 0 11 -2,-0.3 308,-0.2 1,-0.2 309,-0.2 0.794 114.2 59.6 -65.0 -31.6 8.1 -23.7 15.5 10 72 A G T 34 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.1 207,-0.1 0.748 126.6 13.3 -71.0 -23.4 5.5 -23.0 12.7 11 73 A Q T <4 S- 0 0 99 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.343 112.4-108.7-142.5 1.4 5.2 -19.4 13.6 12 74 A G E < -A 8 0A 11 -4,-2.0 -4,-1.2 17,-0.1 2,-0.4 -0.017 24.1 -81.0 97.3 170.4 8.1 -18.6 16.0 13 75 A Y E -A 7 0A 4 17,-0.4 17,-3.1 201,-0.3 2,-0.3 -0.963 39.8-165.3-118.1 130.8 9.0 -17.8 19.6 14 76 A Y E -AB 6 29A 18 -8,-2.4 -8,-1.8 -2,-0.4 2,-0.3 -0.910 10.6-153.0-122.6 145.2 8.6 -14.3 21.0 15 77 A V E -AB 5 28A 1 13,-2.3 13,-2.5 -2,-0.3 2,-0.4 -0.797 32.7-107.3-103.3 148.6 9.9 -12.5 24.2 16 78 A E E - B 0 27A 41 -12,-0.7 2,-0.4 -2,-0.3 72,-0.4 -0.656 39.9-177.3 -75.4 127.8 8.1 -9.5 25.8 17 79 A M E - B 0 26A 0 9,-2.6 9,-3.0 -2,-0.4 2,-0.6 -0.999 17.8-147.3-129.1 134.6 9.8 -6.2 25.3 18 80 A T E -CB 85 25A 19 67,-2.7 67,-2.3 -2,-0.4 2,-0.4 -0.896 19.2-168.9 -99.7 118.0 8.8 -2.8 26.6 19 81 A V E > -CB 84 24A 0 5,-3.2 5,-1.5 -2,-0.6 65,-0.2 -0.920 40.9 -11.6-112.1 133.6 9.6 0.2 24.3 20 82 A G T 5S- 0 0 10 63,-3.0 4,-0.2 -2,-0.4 36,-0.1 0.072 83.8 -56.8 80.5 172.9 9.4 3.9 25.1 21 83 A S T 5S+ 0 0 54 1,-0.2 36,-2.2 2,-0.2 37,-0.5 -0.977 126.1 42.5-138.6 120.8 8.0 5.9 27.9 22 84 A P T 5S- 0 0 82 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.519 119.3-107.9 -61.5 149.3 5.2 5.7 28.5 23 85 A P T 5 - 0 0 98 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.198 31.6-168.8 -63.2 134.8 5.7 1.9 28.1 24 86 A Q E < -B 19 0A 23 -5,-1.5 -5,-3.2 -4,-0.2 2,-0.5 -0.997 15.0-151.8-116.0 120.0 4.4 -0.0 25.1 25 87 A T E -B 18 0A 69 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.2 -0.837 20.2-179.8 -96.5 123.2 4.8 -3.8 25.7 26 88 A L E -B 17 0A 3 -9,-3.0 -9,-2.6 -2,-0.5 2,-0.6 -0.871 31.0-122.4-126.9 154.0 5.2 -5.8 22.5 27 89 A N E -B 16 0A 12 -2,-0.3 88,-2.7 -11,-0.2 89,-0.5 -0.899 35.4-163.9 -98.5 121.8 5.6 -9.5 21.7 28 90 A I E -B 15 0A 0 -13,-2.5 -13,-2.3 -2,-0.6 89,-0.2 -0.954 18.7-127.6-120.4 125.1 8.8 -9.9 19.7 29 91 A L E -Bd 14 117A 15 87,-2.8 89,-3.0 -2,-0.5 2,-0.5 -0.466 26.5-130.0 -66.6 127.6 10.0 -12.9 17.6 30 92 A V E - d 0 118A 2 -17,-3.1 2,-0.5 -2,-0.2 -17,-0.4 -0.713 30.7-177.2 -82.0 120.4 13.5 -14.0 18.7 31 93 A D E > + d 0 119A 12 87,-2.6 89,-2.8 -2,-0.5 3,-1.1 -0.877 20.7 175.7-130.5 95.5 15.7 -14.2 15.5 32 94 A T T 3 S+ 0 0 0 -2,-0.5 152,-0.5 1,-0.2 180,-0.1 0.516 79.4 69.0 -77.4 -0.9 19.3 -15.5 15.7 33 95 A G T 3 S+ 0 0 13 150,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.336 102.3 37.2-102.2 11.3 19.6 -15.3 12.0 34 96 A S < - 0 0 15 -3,-1.1 87,-2.5 84,-0.1 92,-0.1 -0.915 63.6-140.1-147.0 178.7 19.4 -11.5 11.6 35 97 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.283 62.4 97.4-132.9 14.2 20.6 -8.4 13.4 36 98 A N - 0 0 10 98,-0.1 83,-2.1 89,-0.1 2,-0.7 -0.846 58.7-142.6-107.5 137.8 17.9 -5.7 13.3 37 99 A F E +E 118 0A 8 -2,-0.4 62,-2.8 81,-0.2 2,-0.4 -0.924 39.1 167.7 -89.5 114.7 15.4 -4.8 16.0 38 100 A A E -Ef 117 99A 0 79,-2.4 79,-3.0 -2,-0.7 2,-0.4 -0.997 15.3-173.9-140.9 132.6 12.4 -4.1 13.9 39 101 A V E -Ef 116 100A 0 60,-3.1 62,-2.7 -2,-0.4 77,-0.3 -0.970 34.7-103.6-134.7 137.4 8.8 -3.6 15.0 40 102 A G E + f 0 101A 1 75,-3.5 11,-3.4 -2,-0.4 62,-0.1 -0.390 37.8 178.1 -61.8 135.9 5.4 -3.1 13.1 41 103 A A + 0 0 11 60,-2.3 12,-0.3 9,-0.3 -1,-0.1 0.236 56.2 45.9-132.0 18.8 4.6 0.5 13.5 42 104 A A S S- 0 0 32 59,-0.2 9,-0.1 7,-0.1 -1,-0.1 -0.963 97.6 -70.4-160.4 155.2 1.4 0.9 11.4 43 105 A P + 0 0 103 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.144 50.6 173.9 -58.9 151.2 -1.9 -1.0 11.2 44 106 A H > - 0 0 56 3,-0.3 3,-2.2 1,-0.1 -4,-0.0 -0.956 43.4-119.3-156.8 137.7 -1.9 -4.4 9.5 45 107 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.820 116.2 41.6 -43.1 -34.0 -4.5 -7.1 9.1 46 108 A F T 3 S+ 0 0 65 64,-0.1 66,-0.5 62,-0.1 2,-0.5 0.433 92.0 97.4-100.6 -0.1 -2.2 -9.5 11.0 47 109 A L < - 0 0 24 -3,-2.2 -3,-0.3 1,-0.2 3,-0.1 -0.789 46.9-169.1 -98.6 128.9 -0.9 -7.3 13.9 48 110 A H S S- 0 0 99 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.796 82.1 -4.2 -80.7 -34.1 -2.6 -7.4 17.3 49 111 A R - 0 0 115 -22,-0.1 -1,-0.3 -7,-0.1 2,-0.3 -0.951 69.6-160.9-146.6 164.4 -0.7 -4.3 18.4 50 112 A Y - 0 0 69 -2,-0.3 2,-0.6 -3,-0.1 -9,-0.3 -0.915 34.7 -85.8-141.7 169.5 2.0 -2.1 16.8 51 113 A Y - 0 0 1 -11,-3.4 2,-0.8 -2,-0.3 3,-0.1 -0.727 34.4-158.6 -77.4 117.4 4.6 0.4 17.9 52 114 A Q > - 0 0 66 -2,-0.6 3,-1.5 1,-0.2 4,-0.3 -0.881 8.1-174.1-100.9 98.7 3.1 3.9 18.1 53 115 A R G > S+ 0 0 64 -2,-0.8 3,-1.5 1,-0.3 6,-0.3 0.846 81.5 63.9 -60.0 -32.3 6.1 6.2 17.9 54 116 A Q G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.606 99.0 52.8 -75.0 -16.5 3.8 9.2 18.5 55 117 A L G < S+ 0 0 93 -3,-1.5 2,-0.7 1,-0.0 -1,-0.3 0.447 91.5 89.5 -88.6 -8.7 2.9 7.9 22.0 56 118 A S X - 0 0 11 -3,-1.5 3,-0.9 -4,-0.3 -36,-0.1 -0.823 53.8-169.9-100.3 113.9 6.6 7.6 23.0 57 119 A S T 3 S+ 0 0 97 -36,-2.2 -1,-0.1 -2,-0.7 -3,-0.0 0.676 89.2 53.1 -69.3 -13.9 8.1 10.7 24.6 58 120 A T T 3 S+ 0 0 28 -37,-0.5 -1,-0.2 -36,-0.1 2,-0.1 0.482 80.0 115.5-106.0 -4.5 11.6 9.0 24.3 59 121 A Y < - 0 0 41 -3,-0.9 2,-0.4 -6,-0.3 23,-0.2 -0.395 44.1-167.8 -65.2 135.5 11.5 8.1 20.7 60 122 A R E -G 81 0A 146 21,-2.9 21,-2.3 -2,-0.1 2,-0.3 -0.986 16.0-134.8-128.5 123.9 14.1 9.8 18.4 61 123 A D E -G 80 0A 46 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.545 6.6-161.0 -70.4 137.6 14.0 9.7 14.7 62 124 A L E - 0 0 77 17,-2.2 18,-0.2 -2,-0.3 -1,-0.1 0.479 32.2-131.5 -90.1 -9.1 17.2 9.0 12.9 63 125 A R E S+ 0 0 204 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.818 70.5 107.9 60.6 40.6 15.9 10.5 9.5 64 126 A K E -G 79 0A 83 15,-0.5 15,-2.6 2,-0.0 -2,-0.2 -0.997 57.5-143.7-149.1 135.8 17.0 7.5 7.5 65 127 A G E -G 78 0A 44 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.504 9.1-155.7 -97.0 171.0 15.0 4.7 5.9 66 128 A V E -G 77 0A 11 11,-1.6 11,-1.8 -2,-0.2 2,-0.4 -0.977 2.6-161.7-152.0 139.3 16.0 1.0 5.6 67 129 A Y E -G 76 0A 128 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.998 6.1-170.7-129.2 121.9 14.8 -1.5 3.1 68 130 A V E -G 75 0A 6 7,-3.4 7,-1.8 -2,-0.4 2,-0.3 -0.889 5.3-168.9-123.3 93.4 15.2 -5.3 3.9 69 131 A P E -G 74 0A 57 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.654 0.9-169.1 -82.9 149.2 14.5 -7.7 1.0 70 132 A Y E > -G 73 0A 98 3,-2.6 3,-0.8 -2,-0.3 -2,-0.0 -0.828 43.8 -96.0-123.3 165.6 14.2 -11.4 1.7 71 133 A T T 3 S+ 0 0 153 1,-0.3 2,-0.3 -2,-0.3 -1,-0.0 0.909 122.0 20.4 -55.2 -40.2 14.0 -14.1 -1.1 72 134 A Q T 3 S- 0 0 169 34,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.712 130.6 -6.1-132.1 92.3 10.3 -13.9 -0.7 73 135 A G E < -G 70 0A 8 -3,-0.8 -3,-2.6 -2,-0.3 2,-0.3 -0.695 62.8-146.0 124.6-174.7 8.9 -10.8 1.0 74 136 A K E -GH 69 105A 81 31,-2.1 31,-2.5 -5,-0.2 2,-0.3 -0.955 7.5-142.4-173.6 159.9 10.4 -7.7 2.6 75 137 A W E +GH 68 104A 4 -7,-1.8 -7,-3.4 -2,-0.3 2,-0.3 -0.979 16.8 178.1-130.6 151.8 10.1 -5.1 5.3 76 138 A E E +GH 67 103A 60 27,-2.3 26,-1.6 -2,-0.3 27,-1.5 -0.958 15.3 133.7-142.5 165.9 11.0 -1.4 5.2 77 139 A G E -GH 66 101A 9 -11,-1.8 -11,-1.6 -2,-0.3 2,-0.4 -0.970 49.7 -65.5 177.2-169.0 10.7 1.4 7.7 78 140 A E E -GH 65 100A 41 22,-2.0 22,-2.9 -2,-0.3 2,-0.2 -0.917 41.3-128.5-116.2 132.8 12.3 4.3 9.5 79 141 A L E +GH 64 99A 0 -15,-2.6 -17,-2.2 -2,-0.4 -15,-0.5 -0.567 42.8 137.2 -75.7 143.8 15.2 4.1 11.8 80 142 A G E -GH 61 98A 0 18,-1.6 18,-2.5 -19,-0.3 2,-0.3 -0.879 42.0-112.7-160.7-175.7 15.2 5.7 15.2 81 143 A T E +GH 60 97A 20 -21,-2.3 -21,-2.9 16,-0.3 2,-0.3 -0.961 31.4 163.4-130.5 154.0 16.1 5.0 18.8 82 144 A D E - H 0 96A 0 14,-1.8 14,-2.5 -2,-0.3 2,-0.3 -0.957 43.9 -83.7-156.8 168.5 14.0 4.5 22.0 83 145 A L E - H 0 95A 52 -2,-0.3 -63,-3.0 12,-0.2 2,-0.4 -0.596 46.5-170.8 -79.7 138.9 14.3 3.1 25.5 84 146 A V E +CH 19 94A 2 10,-3.0 10,-2.8 -2,-0.3 2,-0.3 -0.987 10.7 173.2-135.6 137.4 13.9 -0.6 25.7 85 147 A S E -C 18 0A 33 -67,-2.3 -67,-2.7 -2,-0.4 8,-0.1 -0.968 27.4-133.4-136.8 162.5 13.5 -2.9 28.7 86 148 A I > - 0 0 11 4,-0.5 3,-1.4 6,-0.5 -69,-0.2 -0.887 11.1-156.6-120.2 101.3 12.8 -6.6 29.1 87 149 A P T 3 S+ 0 0 65 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.775 97.0 35.5 -45.7 -37.4 10.1 -7.2 31.8 88 150 A H T 3 S+ 0 0 90 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.472 114.3 70.7-116.0 54.5 11.3 -10.8 32.4 89 151 A G S < S- 0 0 16 -3,-1.4 71,-0.0 1,-0.2 73,-0.0 -0.724 99.5 -36.1-147.8-166.4 15.0 -10.1 31.9 90 152 A P - 0 0 24 0, 0.0 2,-1.6 0, 0.0 -4,-0.5 -0.218 65.2-103.9 -64.8 166.3 17.6 -8.2 33.8 91 153 A N S S+ 0 0 170 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.535 82.1 105.8 -94.0 64.6 16.6 -5.0 35.6 92 154 A V - 0 0 44 -2,-1.6 -6,-0.5 -6,-0.2 2,-0.4 -0.897 54.9-144.8-141.9 163.9 18.0 -2.5 33.2 93 155 A T - 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H 0 75A 39 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.994 22.8-149.6-156.4 160.2 5.9 -5.0 4.4 105 167 A D E S- H 0 74A 93 -31,-2.5 -31,-2.1 -2,-0.3 -2,-0.0 -0.957 81.5 -18.6-131.4 117.6 5.2 -7.9 2.1 106 168 A K S S+ 0 0 167 -2,-0.4 -31,-0.1 -33,-0.2 -34,-0.1 0.683 104.5 106.3 69.0 25.7 4.8 -11.6 3.3 107 169 A F + 0 0 31 -33,-0.2 2,-0.4 1,-0.1 -32,-0.1 0.868 65.7 57.8 -98.6 -56.4 6.6 -10.8 6.6 108 170 A F S S- 0 0 9 7,-0.1 2,-0.5 1,-0.0 -2,-0.2 -0.637 78.7-146.7 -78.3 128.3 3.8 -10.8 9.2 109 171 A I > - 0 0 64 -2,-0.4 3,-0.7 5,-0.2 4,-0.2 -0.850 26.1 -94.8-108.0 138.9 1.8 -14.0 9.3 110 172 A N T 3 S- 0 0 113 -2,-0.5 -64,-0.1 1,-0.2 -1,-0.1 -0.169 105.7 -1.6 -46.5 114.2 -1.8 -14.4 10.0 111 173 A G T 3 S+ 0 0 38 -65,-0.2 -1,-0.2 3,-0.0 -64,-0.1 0.962 84.8 133.2 66.7 57.4 -2.3 -15.1 13.7 112 174 A S < - 0 0 13 -3,-0.7 -2,-0.1 -66,-0.5 3,-0.1 0.724 55.9-140.5-102.5 -25.8 1.3 -15.2 14.8 113 175 A N + 0 0 64 -67,-0.4 2,-0.4 1,-0.2 -66,-0.1 0.612 65.8 107.9 65.5 18.1 0.9 -13.0 17.9 114 176 A W - 0 0 14 -5,-0.2 -1,-0.2 1,-0.1 -86,-0.2 -0.970 45.8-171.8-122.8 150.9 4.2 -11.2 17.4 115 177 A E + 0 0 0 -88,-2.7 -75,-3.5 -2,-0.4 2,-0.3 0.266 67.0 10.4-116.4 5.8 4.6 -7.7 16.2 116 178 A G E - 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