==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 02-NOV-99 1DB2 . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.NAR,M.BAUER,J.M.STASSEN,D.LANG,A.GILS,P.DECLERCK . 739 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 20.7 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 . 0 0.0 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 . 65 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 2 0 2 0 0 4 0 2 2 0 3 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 0 0 0 0 2 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 . 6 1 4 0 1 3 4 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 3 A H > 0 0 154 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 19.1 -34.9 77.1 131.0 2 4 A P T 4 - 0 0 110 0, 0.0 2,-5.5 0, 0.0 66,-0.0 0.055 360.0 -47.7 -26.9 114.8 -34.5 74.6 127.7 3 5 A P T >4 S+ 0 0 84 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.244 136.0 81.1 22.0 -6.4 -35.3 71.1 129.1 4 6 A S T 3> S+ 0 0 68 -2,-5.5 4,-1.4 1,-0.2 5,-0.1 0.452 73.9 80.8 -88.8 -4.8 -32.9 71.7 132.1 5 7 A Y H 3X S+ 0 0 95 -4,-1.4 4,-3.8 2,-0.2 5,-0.3 0.885 84.6 58.5 -70.1 -42.9 -35.9 73.5 133.5 6 8 A V H <> S+ 0 0 2 -3,-0.7 4,-3.3 -5,-0.2 -2,-0.2 0.917 103.0 50.2 -57.0 -47.1 -37.2 70.1 134.5 7 9 A A H > S+ 0 0 3 -4,-0.5 4,-2.5 1,-0.2 361,-0.3 0.871 116.5 44.6 -56.5 -41.2 -34.1 69.4 136.6 8 10 A H H X S+ 0 0 56 -4,-1.4 4,-3.5 2,-0.2 -2,-0.2 0.926 116.1 41.6 -66.7 -54.5 -34.6 72.8 138.2 9 11 A L H X S+ 0 0 29 -4,-3.8 4,-3.3 2,-0.2 5,-0.2 0.947 116.1 53.2 -58.7 -48.2 -38.4 72.6 138.7 10 12 A A H X S+ 0 0 1 -4,-3.3 4,-2.2 -5,-0.3 -2,-0.2 0.914 114.1 40.6 -49.8 -55.2 -37.8 69.0 139.8 11 13 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.873 112.9 55.2 -61.9 -45.2 -35.2 70.1 142.3 12 14 A D H X S+ 0 0 42 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.931 110.6 44.9 -57.1 -42.9 -37.2 73.1 143.3 13 15 A F H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.904 110.2 54.5 -70.3 -42.1 -40.2 71.0 144.2 14 16 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.903 107.5 51.3 -57.8 -42.7 -38.1 68.4 146.0 15 17 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.939 107.3 51.8 -63.7 -45.7 -36.8 71.2 148.2 16 18 A R H X S+ 0 0 71 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.939 110.2 50.2 -59.1 -39.9 -40.2 72.4 149.0 17 19 A V H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.8 0.969 109.3 51.5 -60.5 -49.2 -41.1 68.9 150.0 18 20 A F H 3X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.833 102.3 59.9 -54.6 -39.0 -38.1 68.7 152.2 19 21 A Q H 3X S+ 0 0 32 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.880 104.9 48.5 -59.8 -41.2 -38.9 71.9 154.0 20 22 A Q H < S+ 0 0 2 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.821 108.3 54.8 -65.5 -38.9 -37.8 69.5 158.3 23 25 A Q H >< S+ 0 0 95 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.826 109.8 49.0 -67.8 -24.4 -40.5 71.7 159.9 24 26 A A H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.660 119.5 37.6 -87.9 -14.3 -42.2 68.5 161.2 25 27 A S T X< S+ 0 0 15 -4,-0.6 3,-2.5 -3,-0.6 -1,-0.2 -0.139 73.5 164.2-130.1 43.2 -38.9 67.2 162.5 26 28 A K T < S+ 0 0 114 -3,-0.6 3,-0.1 1,-0.3 -3,-0.1 -0.276 77.3 21.3 -54.8 139.8 -37.2 70.3 163.9 27 29 A D T 3 S+ 0 0 79 1,-0.2 2,-0.3 347,-0.0 -1,-0.3 0.337 105.6 97.9 81.3 -10.3 -34.5 68.8 166.1 28 30 A R S < S- 0 0 166 -3,-2.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.808 81.9-101.6-112.1 150.3 -34.3 65.3 164.5 29 31 A N - 0 0 58 -2,-0.3 2,-0.3 345,-0.1 345,-0.2 -0.407 44.6-178.5 -65.5 137.8 -31.8 64.1 161.9 30 32 A V E -A 373 0A 2 343,-1.9 343,-2.0 250,-0.1 2,-0.4 -0.835 16.9-178.1-147.6 117.2 -33.4 64.0 158.4 31 33 A V E +A 372 0A 0 -2,-0.3 2,-0.3 341,-0.2 291,-0.3 -0.904 20.2 167.7-112.7 137.6 -31.9 62.9 155.1 32 34 A F E -A 371 0A 0 339,-2.2 339,-2.1 -2,-0.4 -2,-0.0 -0.940 32.8-130.7-140.9 167.2 -34.2 63.4 152.1 33 35 A S > - 0 0 0 -2,-0.3 4,-2.1 337,-0.2 5,-0.2 -0.855 15.3-178.8-125.9 99.9 -34.0 63.3 148.3 34 36 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.934 88.9 51.8 -58.2 -45.1 -35.6 66.2 146.5 35 37 A Y H > S+ 0 0 8 333,-1.2 4,-2.2 1,-0.2 5,-0.1 0.955 109.4 50.0 -59.0 -48.5 -34.7 64.6 143.2 36 38 A G H > S+ 0 0 0 333,-0.4 4,-2.4 1,-0.2 5,-0.3 0.841 107.4 51.4 -60.3 -36.7 -36.3 61.4 144.1 37 39 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.891 111.9 47.9 -70.0 -35.6 -39.6 62.8 145.3 38 40 A A H X S+ 0 0 3 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.905 111.3 51.2 -68.3 -42.9 -40.0 64.7 142.1 39 41 A S H X S+ 0 0 17 -4,-2.2 4,-2.0 -5,-0.3 5,-0.2 0.965 113.1 42.0 -61.6 -54.0 -39.2 61.8 140.0 40 42 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.866 116.1 50.5 -66.5 -31.1 -41.7 59.4 141.6 41 43 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.897 105.8 55.8 -72.9 -33.4 -44.4 62.1 141.7 42 44 A A H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 3,-0.2 0.946 109.2 47.0 -62.5 -43.5 -43.8 62.8 138.0 43 45 A M H >X S+ 0 0 9 -4,-2.0 3,-1.4 1,-0.2 4,-0.6 0.980 108.5 56.0 -58.9 -49.6 -44.5 59.2 137.2 44 46 A L H >X S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 4,-0.7 0.885 91.7 72.8 -51.0 -37.1 -47.5 59.4 139.5 45 47 A Q H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.875 90.9 58.3 -47.9 -43.9 -48.8 62.3 137.4 46 48 A L H << S+ 0 0 10 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.751 101.1 53.5 -58.0 -34.7 -49.7 59.8 134.6 47 49 A T H << S+ 0 0 0 -3,-1.5 259,-1.0 -4,-0.6 260,-0.9 0.578 102.1 82.6 -77.2 -10.3 -52.0 57.7 136.7 48 50 A T << + 0 0 0 -3,-1.5 2,-0.3 -4,-0.7 256,-0.3 -0.288 45.3 165.4 -98.7 179.4 -54.1 60.7 137.7 49 51 A G >> + 0 0 5 254,-1.9 4,-1.3 256,-0.1 3,-0.8 -0.953 46.7 28.4-168.8 178.4 -56.8 62.9 136.5 50 52 A G H 3> S- 0 0 37 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.169 120.3 -22.7 60.9-145.0 -59.3 65.6 137.7 51 53 A E H 3> S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.715 136.0 64.0 -73.6 -22.0 -58.4 67.8 140.6 52 54 A T H <> S+ 0 0 0 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.897 104.5 45.2 -70.1 -38.4 -55.9 65.2 141.8 53 55 A Q H X S+ 0 0 57 -4,-1.3 4,-2.6 -3,-0.2 5,-0.3 0.922 111.4 54.5 -70.4 -39.8 -53.9 65.8 138.6 54 56 A Q H X S+ 0 0 80 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 0.911 104.5 52.3 -60.3 -46.3 -54.2 69.5 139.0 55 57 A Q H X S+ 0 0 30 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.922 112.0 46.3 -57.6 -46.7 -52.9 69.6 142.6 56 58 A I H X S+ 0 0 0 -4,-1.5 4,-3.3 2,-0.2 6,-0.3 0.926 116.0 44.5 -64.6 -44.1 -49.8 67.6 141.5 57 59 A Q H X S+ 0 0 15 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.920 114.6 49.3 -67.3 -41.5 -49.1 69.8 138.4 58 60 A A H < S+ 0 0 74 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.941 116.3 43.4 -61.9 -42.3 -49.8 73.0 140.3 59 61 A A H < S+ 0 0 12 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.913 118.8 41.9 -75.2 -37.1 -47.4 71.8 143.1 60 62 A M H < S- 0 0 1 -4,-3.3 -47,-0.2 2,-0.2 -2,-0.2 0.738 99.7-131.8 -81.1 -23.7 -44.7 70.5 140.8 61 63 A G S < S+ 0 0 47 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.1 0.480 74.8 63.8 90.9 -1.3 -44.9 73.4 138.3 62 64 A F S S- 0 0 13 -5,-0.4 2,-0.5 -6,-0.3 -2,-0.2 -0.983 73.1-121.7-153.1 165.8 -45.0 71.2 135.2 63 65 A K > - 0 0 90 -2,-0.3 3,-1.4 1,-0.1 6,-0.2 -0.958 15.5-145.3-109.9 125.0 -47.0 68.5 133.3 64 66 A I T 3 S+ 0 0 3 -2,-0.5 6,-0.7 1,-0.3 -1,-0.1 0.722 99.1 55.3 -61.7 -21.4 -45.3 65.2 132.6 65 67 A D T 3 S+ 0 0 87 4,-0.1 -1,-0.3 5,-0.1 3,-0.1 0.620 79.3 108.6 -87.0 -16.8 -47.1 65.0 129.3 66 68 A D S X> S- 0 0 89 -3,-1.4 3,-1.7 1,-0.1 4,-0.5 -0.321 89.2 -82.9 -63.3 148.7 -46.0 68.3 127.7 67 69 A K T 34 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.279 114.5 11.9 -52.6 131.4 -43.5 68.0 124.9 68 70 A G T 3> S+ 0 0 23 -3,-0.1 4,-1.6 -4,-0.1 -1,-0.3 0.078 98.6 96.8 85.8 -18.9 -40.0 67.6 126.3 69 71 A M H <> S+ 0 0 25 -3,-1.7 4,-2.0 -6,-0.2 5,-0.2 0.979 87.7 40.4 -69.4 -57.6 -40.7 66.9 130.0 70 72 A A H X S+ 0 0 6 -6,-0.7 4,-2.4 -4,-0.5 5,-0.2 0.942 116.8 49.9 -55.2 -51.6 -40.6 63.1 130.1 71 73 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 109.5 52.2 -57.6 -38.6 -37.5 63.0 127.8 72 74 A A H X S+ 0 0 13 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.880 109.6 49.0 -66.8 -37.0 -35.7 65.6 129.9 73 75 A L H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 111.8 48.7 -69.4 -37.9 -36.4 63.4 133.0 74 76 A R H X S+ 0 0 68 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.893 112.2 49.0 -63.7 -41.9 -35.1 60.3 131.3 75 77 A H H X S+ 0 0 119 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.961 110.5 50.2 -63.7 -51.0 -32.0 62.2 130.2 76 78 A L H X S+ 0 0 5 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.888 111.1 49.5 -54.2 -43.6 -31.5 63.5 133.7 77 79 A Y H X S+ 0 0 77 -4,-2.4 4,-0.8 2,-0.2 3,-0.4 0.905 112.0 47.7 -61.5 -45.5 -31.8 59.9 135.0 78 80 A K H >< S+ 0 0 136 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.910 106.2 58.9 -65.3 -39.5 -29.3 58.6 132.5 79 81 A E H 3< S+ 0 0 66 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.785 110.5 40.9 -60.3 -31.4 -26.9 61.4 133.2 80 82 A L H 3< S+ 0 0 2 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.521 109.3 59.9 -93.0 -8.3 -26.7 60.4 136.9 81 83 A M S << S+ 0 0 62 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.329 86.7 125.5 -98.9 7.7 -26.6 56.7 136.1 82 84 A G S > S- 0 0 21 -4,-0.4 3,-0.5 -3,-0.3 -3,-0.1 0.423 80.7 -89.7 -51.1-173.9 -23.4 57.2 134.1 83 85 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.827 116.0 70.8 -76.1 -28.8 -20.0 55.6 134.3 84 86 A W T 3 S+ 0 0 48 1,-0.1 2,-1.1 2,-0.1 146,-0.1 0.665 78.1 85.7 -61.2 -25.3 -18.7 58.1 136.8 85 87 A N < - 0 0 21 -3,-0.5 2,-1.7 1,-0.1 -1,-0.1 -0.732 64.0-166.8 -86.4 99.9 -20.9 56.8 139.5 86 88 A K S S- 0 0 123 -2,-1.1 -1,-0.1 1,-0.2 -2,-0.1 -0.432 70.2 -60.5 -84.2 61.4 -18.8 53.9 140.9 87 89 A D S S+ 0 0 115 -2,-1.7 -1,-0.2 2,-0.2 3,-0.1 0.886 108.5 120.1 62.6 38.9 -21.6 52.3 143.0 88 90 A E + 0 0 2 1,-0.3 82,-2.5 81,-0.1 2,-0.4 0.684 69.7 37.8-103.8 -29.0 -22.0 55.5 145.0 89 91 A I E +I 169 0B 3 80,-0.2 2,-0.4 -9,-0.1 -1,-0.3 -0.964 57.1 174.4-136.5 124.4 -25.6 56.2 144.2 90 92 A S E +I 168 0B 9 78,-2.2 78,-2.3 -2,-0.4 2,-0.3 -0.959 9.9 178.1-120.5 145.7 -28.6 53.9 143.7 91 93 A T E -I 167 0B 14 -2,-0.4 2,-0.3 76,-0.2 76,-0.2 -0.973 5.5-178.1-150.9 132.4 -32.2 55.1 143.1 92 94 A T E -I 166 0B 15 74,-2.3 74,-1.7 -2,-0.3 2,-0.3 -0.958 9.6-166.3-131.4 155.7 -35.6 53.5 142.5 93 95 A D E +I 165 0B 32 -2,-0.3 2,-0.3 72,-0.2 72,-0.2 -0.941 18.0 174.1-128.4 142.8 -39.1 54.6 141.9 94 96 A A E -I 164 0B 2 70,-1.6 70,-2.8 -2,-0.3 2,-0.5 -0.934 21.3-167.9-165.6 134.4 -42.1 52.2 142.1 95 97 A I E -I 163 0B 0 23,-0.4 25,-3.2 -2,-0.3 2,-0.4 -0.995 15.3-161.4-121.5 116.5 -45.8 52.3 141.9 96 98 A F E -Ij 162 120B 0 66,-3.1 66,-2.0 -2,-0.5 2,-0.3 -0.899 9.7-174.8-104.4 135.7 -47.6 49.2 143.0 97 99 A V E -Ij 161 121B 0 23,-2.5 25,-2.4 -2,-0.4 64,-0.2 -0.973 37.9 -89.3-131.7 145.8 -51.2 48.7 141.9 98 100 A Q E > - j 0 122B 13 62,-2.1 3,-1.3 -2,-0.3 25,-0.2 -0.366 37.1-131.8 -56.5 128.1 -53.7 46.0 142.8 99 101 A R T 3 S+ 0 0 122 23,-2.5 24,-0.1 1,-0.2 -1,-0.1 0.750 98.6 53.6 -52.7 -40.1 -53.4 43.1 140.3 100 102 A D T 3 S+ 0 0 110 22,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.606 79.6 116.1 -72.3 -20.9 -57.1 42.6 139.5 101 103 A L < - 0 0 9 -3,-1.3 2,-0.8 1,-0.1 -4,-0.0 -0.330 68.6-127.9 -58.0 138.3 -57.7 46.2 138.6 102 104 A K - 0 0 168 3,-0.0 207,-0.8 1,-0.0 208,-0.5 -0.783 28.2-150.8 -87.9 115.0 -58.7 46.7 135.0 103 105 A L B -M 308 0C 38 -2,-0.8 205,-0.3 205,-0.2 2,-0.2 -0.445 24.5 -95.6 -81.6 157.3 -56.3 49.4 133.7 104 106 A V >> - 0 0 47 203,-1.3 3,-1.8 202,-0.2 4,-0.5 -0.514 48.1 -98.2 -72.9 149.5 -57.3 51.8 131.0 105 107 A Q T 34 S+ 0 0 191 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 -0.440 110.0 20.0 -67.2 126.0 -56.2 50.7 127.5 106 108 A G T 3> S+ 0 0 36 -2,-0.2 4,-1.5 -3,-0.1 -1,-0.3 0.296 94.4 104.9 96.1 -12.1 -53.1 52.5 126.5 107 109 A F H <> S+ 0 0 9 -3,-1.8 4,-1.8 2,-0.2 5,-0.2 0.979 79.2 47.9 -63.9 -56.5 -52.1 53.3 130.0 108 110 A M H X S+ 0 0 50 -4,-0.5 4,-2.5 1,-0.2 3,-0.3 0.935 116.0 40.3 -49.6 -59.8 -49.4 50.7 130.3 109 111 A P H > S+ 0 0 86 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.836 112.7 55.6 -63.5 -31.9 -47.6 51.4 127.0 110 112 A H H X S+ 0 0 78 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.894 110.3 46.9 -66.9 -37.4 -47.9 55.2 127.4 111 113 A F H X S+ 0 0 1 -4,-1.8 4,-2.3 -3,-0.3 5,-0.5 0.960 112.8 48.0 -65.1 -54.6 -46.2 54.9 130.8 112 114 A F H X S+ 0 0 102 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.865 107.8 56.0 -58.7 -38.6 -43.5 52.7 129.4 113 115 A R H < S+ 0 0 176 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.970 115.9 36.9 -59.4 -52.9 -42.9 55.0 126.5 114 116 A L H < S+ 0 0 30 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.684 136.1 17.2 -74.4 -23.9 -42.3 58.0 128.8 115 117 A F H < S- 0 0 21 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.657 81.9-133.5-122.3 -23.2 -40.4 56.2 131.6 116 118 A R S < S+ 0 0 134 -4,-1.9 2,-0.3 -5,-0.5 -4,-0.2 0.835 79.1 92.4 71.0 31.1 -39.1 52.8 130.4 117 119 A S - 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