==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 14-DEC-12 4IF8 . COMPND 2 MOLECULE: SERPIN A12; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.B.KUETTNER,N.STRATER,J.T.HEIKER,N.KLOTING,P.KOVACS,S.SCHUL . 728 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 67 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 1 1 1 1 1 1 1 4 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 2 0 0 1 1 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 2 2 0 2 4 4 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 37 A Q 0 0 220 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 143.4 41.1 84.7 6.3 2 38 A G > + 0 0 24 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.159 360.0 122.1-109.2 33.7 37.7 86.0 5.4 3 39 A W H > S+ 0 0 149 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 77.1 45.8 -58.9 -53.1 36.9 83.3 2.7 4 40 A K H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 112.8 50.5 -58.7 -42.5 33.7 82.0 4.5 5 41 A Q H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 111.4 49.7 -62.0 -42.5 32.5 85.7 5.1 6 42 A R H X S+ 0 0 94 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.853 110.3 49.6 -64.8 -41.4 33.1 86.5 1.4 7 43 A M H X S+ 0 0 76 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.905 110.9 49.7 -65.7 -43.0 31.1 83.3 0.3 8 44 A A H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.902 109.9 52.0 -61.5 -39.7 28.2 84.3 2.7 9 45 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.898 106.3 53.6 -63.2 -42.6 28.3 87.9 1.1 10 46 A K H X S+ 0 0 131 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.918 111.9 44.3 -59.4 -45.6 28.1 86.3 -2.4 11 47 A E H X S+ 0 0 76 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.913 113.9 50.4 -65.8 -42.1 24.9 84.4 -1.4 12 48 A L H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.890 105.5 56.7 -64.9 -37.5 23.4 87.4 0.3 13 49 A A H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 343,-0.3 0.864 103.9 52.9 -59.5 -41.2 24.1 89.7 -2.8 14 50 A R H X S+ 0 0 118 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.879 109.8 51.2 -60.9 -37.9 22.0 87.2 -5.0 15 51 A Q H X S+ 0 0 17 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.853 108.7 47.4 -68.0 -43.2 19.2 87.6 -2.4 16 52 A N H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.840 109.0 56.2 -68.1 -31.4 19.2 91.5 -2.4 17 53 A M H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.968 111.6 42.4 -59.4 -52.8 19.2 91.4 -6.2 18 54 A D H X S+ 0 0 32 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.893 114.7 51.2 -58.3 -45.3 16.0 89.3 -6.2 19 55 A L H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.908 108.7 51.4 -58.6 -48.5 14.5 91.5 -3.4 20 56 A G H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.927 111.6 45.9 -56.2 -47.4 15.2 94.7 -5.3 21 57 A F H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.883 113.9 49.1 -66.7 -37.6 13.5 93.4 -8.5 22 58 A K H X S+ 0 0 68 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 114.2 45.5 -66.1 -46.3 10.5 92.1 -6.5 23 59 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.939 112.9 50.5 -62.9 -46.3 10.2 95.4 -4.6 24 60 A L H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.915 109.8 50.8 -57.2 -46.8 10.6 97.4 -7.9 25 61 A K H X S+ 0 0 59 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.895 114.8 42.1 -57.7 -48.3 7.9 95.3 -9.6 26 62 A K H X S+ 0 0 88 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.943 116.1 48.7 -66.2 -47.5 5.3 95.8 -6.8 27 63 A L H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.925 114.3 45.2 -60.2 -45.6 6.2 99.5 -6.3 28 64 A A H < S+ 0 0 4 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.801 110.3 55.9 -67.2 -33.6 5.9 100.3 -10.1 29 65 A F H < S+ 0 0 155 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.947 116.5 34.4 -64.2 -49.5 2.6 98.2 -10.3 30 66 A Y H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.787 131.2 32.1 -77.4 -28.7 0.9 100.3 -7.6 31 67 A N S >< S+ 0 0 59 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 -0.608 74.6 176.2-128.8 69.8 2.5 103.7 -8.5 32 68 A P T 3 + 0 0 74 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.262 67.5 35.8 -68.1 161.4 3.3 104.0 -12.2 33 69 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -5,-0.0 -5,-0.0 0.615 96.1 110.4 73.1 12.6 4.7 107.3 -13.5 34 70 A R S < S- 0 0 146 -3,-0.9 -1,-0.2 -6,-0.1 -3,-0.1 -0.945 72.7-112.7-121.2 147.3 6.8 107.8 -10.3 35 71 A N - 0 0 30 -2,-0.4 2,-0.4 333,-0.2 327,-0.2 -0.372 30.4-161.2 -65.4 142.9 10.5 107.7 -9.6 36 72 A I E +A 361 0A 10 325,-2.3 325,-2.8 243,-0.1 2,-0.4 -0.995 15.5 169.6-130.3 124.6 11.5 104.7 -7.4 37 73 A F E +A 360 0A 2 -2,-0.4 283,-0.4 323,-0.2 2,-0.3 -0.906 14.7 134.4-142.4 110.1 14.8 104.9 -5.6 38 74 A L E -A 359 0A 2 321,-2.3 321,-2.7 -2,-0.4 242,-0.1 -0.941 48.7-118.7-148.2 170.1 15.8 102.5 -2.9 39 75 A S > - 0 0 0 -2,-0.3 4,-2.4 319,-0.2 5,-0.2 -0.933 15.0-170.9-116.7 103.9 18.7 100.3 -1.6 40 76 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.929 91.7 51.0 -57.1 -40.0 17.8 96.5 -1.5 41 77 A L H > S+ 0 0 0 315,-1.3 4,-2.3 2,-0.2 5,-0.2 0.940 109.8 47.3 -60.9 -53.8 21.1 95.9 0.4 42 78 A S H > S+ 0 0 0 315,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.920 112.5 50.1 -58.0 -44.3 20.5 98.6 3.0 43 79 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.922 110.2 51.0 -58.2 -46.6 16.9 97.4 3.6 44 80 A S H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.882 105.5 55.4 -58.5 -43.3 18.2 93.8 4.0 45 81 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.859 104.5 55.7 -59.4 -36.5 20.8 94.9 6.6 46 82 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 -3,-0.3 -1,-0.2 0.905 113.5 37.4 -62.6 -47.9 18.1 96.5 8.8 47 83 A F H X S+ 0 0 0 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.797 115.4 53.4 -80.0 -25.0 16.0 93.3 9.0 48 84 A S H >< S+ 0 0 0 -4,-2.3 3,-0.7 2,-0.2 4,-0.4 0.925 108.3 51.4 -71.9 -41.2 19.0 91.0 9.3 49 85 A M H >< S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.893 105.4 56.2 -57.0 -44.6 20.2 93.2 12.2 50 86 A L H >X S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.3 4,-0.7 0.785 92.8 70.7 -62.1 -23.4 16.7 92.8 13.8 51 87 A C T << S+ 0 0 0 -4,-1.0 3,-0.3 -3,-0.7 -1,-0.3 0.747 86.2 66.6 -64.8 -23.3 17.2 89.0 13.7 52 88 A L T <4 S+ 0 0 15 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.766 113.7 30.2 -66.0 -27.7 19.9 89.4 16.5 53 89 A G T <4 S+ 0 0 0 -3,-1.4 252,-0.7 -4,-0.4 251,-0.6 0.371 105.5 91.1-110.6 0.7 17.1 90.4 18.8 54 90 A A < - 0 0 0 -4,-0.7 2,-0.3 -3,-0.3 248,-0.2 -0.752 49.8-173.2-104.0 148.5 14.1 88.5 17.4 55 91 A Q >> - 0 0 74 246,-1.7 4,-1.4 -2,-0.3 3,-1.0 -0.844 43.9 -12.8-130.9 169.8 12.9 85.0 18.3 56 92 A D H 3> S+ 0 0 109 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 -0.037 122.4 4.0 44.8-129.5 10.3 82.4 17.2 57 93 A S H 3> S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.806 134.0 50.0 -57.1 -37.0 7.5 83.4 14.7 58 94 A T H <> S+ 0 0 2 -3,-1.0 4,-1.9 2,-0.2 237,-0.2 0.946 114.9 43.7 -68.0 -46.7 8.9 86.9 14.2 59 95 A L H X S+ 0 0 22 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.932 114.4 49.8 -60.5 -52.8 12.4 85.7 13.5 60 96 A D H X S+ 0 0 97 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.894 111.0 49.3 -54.4 -45.9 11.2 82.8 11.2 61 97 A E H X S+ 0 0 40 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.863 109.5 50.0 -66.9 -38.0 9.0 85.1 9.1 62 98 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.952 114.6 46.2 -60.4 -48.5 11.9 87.8 8.6 63 99 A K H <>S+ 0 0 39 -4,-2.1 5,-2.6 2,-0.2 6,-0.6 0.836 115.5 45.7 -62.7 -37.9 14.2 84.9 7.5 64 100 A Q H ><5S+ 0 0 95 -4,-2.2 3,-0.6 3,-0.2 -2,-0.2 0.946 115.8 45.7 -69.2 -50.6 11.5 83.4 5.2 65 101 A G H 3<5S+ 0 0 10 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.836 120.8 37.7 -61.0 -42.1 10.5 86.8 3.7 66 102 A F T 3<5S- 0 0 8 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.448 108.4-122.1 -91.0 -1.3 14.1 87.9 3.1 67 103 A N T < 5 + 0 0 39 -3,-0.6 3,-0.4 -4,-0.4 -3,-0.2 0.915 64.5 142.6 58.5 47.9 15.3 84.4 2.1 68 104 A F < + 0 0 5 -5,-2.6 3,-0.5 1,-0.2 -4,-0.2 0.206 43.9 94.4 -95.3 8.8 17.9 84.3 4.9 69 105 A R + 0 0 152 -6,-0.6 -1,-0.2 1,-0.2 -5,-0.1 0.574 60.2 77.4 -79.3 -20.3 17.2 80.6 5.4 70 106 A K S S+ 0 0 144 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.713 97.5 38.8 -68.6 -23.8 19.9 79.0 3.1 71 107 A M S S- 0 0 35 -3,-0.5 5,-0.1 1,-0.1 -63,-0.0 -0.892 96.3 -87.7-124.5 158.7 22.9 79.5 5.6 72 108 A P >> - 0 0 85 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.225 41.8-113.5 -59.3 154.4 23.3 79.3 9.4 73 109 A E H 3> S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.815 116.5 60.0 -60.2 -33.5 22.5 82.5 11.3 74 110 A K H 3> S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 108.7 44.7 -59.4 -42.5 26.2 82.9 12.4 75 111 A D H <> S+ 0 0 26 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.806 107.9 58.3 -72.4 -33.6 27.1 83.1 8.6 76 112 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.951 112.6 39.1 -59.5 -51.1 24.2 85.4 7.9 77 113 A H H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.882 116.3 50.7 -69.5 -38.8 25.6 88.0 10.5 78 114 A E H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.868 110.6 50.9 -65.3 -36.9 29.2 87.4 9.4 79 115 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.915 113.2 43.8 -66.0 -46.3 28.2 87.9 5.8 80 116 A F H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.900 111.6 53.4 -67.1 -41.4 26.4 91.2 6.5 81 117 A H H X S+ 0 0 73 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.925 110.9 48.3 -57.6 -45.0 29.3 92.4 8.8 82 118 A Y H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.916 111.6 49.1 -59.5 -48.7 31.8 91.7 5.9 83 119 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.953 116.1 42.3 -58.2 -50.9 29.6 93.6 3.3 84 120 A I H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.927 114.5 49.9 -63.0 -50.1 29.1 96.7 5.6 85 121 A H H < S+ 0 0 124 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.915 114.5 45.0 -57.9 -43.8 32.8 96.8 6.7 86 122 A E H < S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.900 118.3 40.6 -69.4 -40.5 34.1 96.5 3.1 87 123 A L H < S+ 0 0 5 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 0.775 89.8 99.4 -77.8 -32.7 31.7 99.1 1.6 88 124 A T < + 0 0 60 -4,-2.4 2,-0.3 -5,-0.2 9,-0.2 -0.492 53.5 145.8 -65.0 109.8 31.8 101.7 4.5 89 125 A Q E -I 96 0B 48 7,-1.8 7,-2.2 -2,-0.4 2,-0.1 -0.985 43.3-167.6-149.0 154.3 34.3 104.4 3.4 90 126 A K E +I 95 0B 173 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.675 50.8 127.2-142.9 69.2 35.0 108.1 3.6 91 127 A T S S- 0 0 55 3,-2.7 -2,-0.1 -2,-0.1 0, 0.0 -0.675 75.9 -97.9-119.6 175.6 37.7 108.5 0.9 92 128 A Q S S+ 0 0 147 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.787 124.8 41.1 -66.2 -31.8 38.2 110.8 -2.1 93 129 A D S S+ 0 0 41 1,-0.3 84,-2.6 83,-0.1 137,-0.3 0.706 125.0 21.2 -87.4 -32.6 36.9 107.9 -4.4 94 130 A L E + J 0 176B 3 82,-0.2 -3,-2.7 135,-0.1 2,-0.4 -0.961 46.5 178.6-148.3 133.3 34.0 106.6 -2.3 95 131 A K E +IJ 90 175B 68 80,-3.0 80,-2.1 -2,-0.3 2,-0.3 -0.976 28.8 149.5-130.0 105.9 31.8 107.9 0.6 96 132 A L E +IJ 89 174B 0 -7,-2.2 -7,-1.8 -2,-0.4 2,-0.3 -0.973 13.8 170.7-143.1 130.3 29.2 105.2 1.5 97 133 A S E - J 0 173B 42 76,-1.0 76,-1.3 -2,-0.3 2,-0.5 -0.992 20.3-152.8-139.1 141.9 27.6 104.6 4.9 98 134 A I E - J 0 172B 11 -2,-0.3 2,-0.4 74,-0.2 74,-0.2 -0.981 20.8-159.2-114.4 115.1 24.7 102.2 5.8 99 135 A G E + J 0 171B 3 72,-3.6 72,-2.1 -2,-0.5 2,-0.4 -0.844 17.6 176.2-101.9 137.3 23.0 103.5 8.9 100 136 A N E + J 0 170B 1 -2,-0.4 25,-2.2 23,-0.4 2,-0.5 -0.915 11.8 169.7-138.8 102.2 20.8 101.4 11.2 101 137 A T E -kJ 125 169B 0 68,-2.7 68,-2.9 -2,-0.4 2,-0.6 -0.985 19.3-159.4-121.0 123.9 19.5 103.3 14.2 102 138 A L E -kJ 126 168B 1 23,-2.7 25,-2.4 -2,-0.5 2,-0.6 -0.910 8.6-156.2 -96.9 125.0 16.8 102.0 16.6 103 139 A F E -kJ 127 167B 0 64,-3.5 64,-2.8 -2,-0.6 2,-0.4 -0.909 19.0-173.6-102.4 118.0 15.2 104.8 18.5 104 140 A I E -kJ 128 166B 0 23,-2.1 25,-2.3 -2,-0.6 62,-0.2 -0.920 32.5 -96.7-118.8 140.7 13.7 103.2 21.7 105 141 A D E > -k 129 0B 8 60,-2.7 3,-2.2 -2,-0.4 25,-0.2 -0.294 32.4-127.2 -57.8 131.0 11.6 104.8 24.4 106 142 A Q T 3 S+ 0 0 106 23,-2.2 -1,-0.2 1,-0.3 24,-0.1 0.566 107.2 64.8 -56.8 -16.8 13.7 105.9 27.4 107 143 A R T 3 S+ 0 0 129 22,-0.2 -1,-0.3 58,-0.0 2,-0.2 0.647 92.9 80.7 -80.5 -17.2 11.6 104.0 29.8 108 144 A L S < S- 0 0 13 -3,-2.2 200,-0.1 57,-0.1 -4,-0.1 -0.528 75.6-137.0 -89.3 159.2 12.7 100.7 28.1 109 145 A Q - 0 0 137 198,-0.4 -3,-0.1 -2,-0.2 -2,-0.0 -0.876 12.6-147.9-119.9 94.4 16.1 99.0 28.8 110 146 A P - 0 0 27 0, 0.0 196,-0.2 0, 0.0 2,-0.2 -0.400 31.0-111.8 -60.1 136.7 17.8 97.7 25.6 111 147 A Q > - 0 0 74 194,-3.0 4,-2.2 193,-0.3 5,-0.1 -0.556 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