==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 23-FEB-10 3LW2 . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.DEWILDE,B.VAN DE CRAEN,G.COMPERNOLLE,J.B.MADSEN,S.V.STRELK . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 24.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 0 1 1 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 2 2 2 1 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 . 0 0 0 0 1 0 1 0 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 7 A H > 0 0 164 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -62.0 25.6 -28.0 1.4 2 8 A T H > + 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 360.0 52.5 -56.3 -47.4 26.9 -25.0 3.4 3 9 A A H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 111.0 47.6 -55.2 -45.0 26.5 -22.7 0.3 4 10 A H H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 112.1 48.7 -67.5 -36.7 22.8 -23.9 -0.0 5 11 A Q H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.880 107.4 55.5 -68.8 -37.7 22.1 -23.4 3.7 6 12 A A H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.892 110.1 47.6 -61.3 -40.2 23.6 -19.9 3.6 7 13 A T H X S+ 0 0 6 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.924 109.5 50.4 -65.4 -51.0 21.2 -19.1 0.8 8 14 A D H X S+ 0 0 50 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.884 113.2 47.8 -57.8 -41.5 18.1 -20.5 2.5 9 15 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 47,-0.2 -2,-0.2 0.942 111.6 48.4 -62.0 -52.6 18.9 -18.5 5.6 10 16 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.866 111.0 52.0 -61.9 -35.5 19.6 -15.2 3.7 11 17 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.900 107.3 52.1 -65.1 -38.9 16.3 -15.7 1.8 12 18 A K H X S+ 0 0 83 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.931 110.3 49.2 -61.9 -39.7 14.5 -16.2 5.1 13 19 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.934 108.8 52.8 -65.4 -45.0 16.1 -12.9 6.2 14 20 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.921 107.0 52.8 -49.3 -47.2 14.9 -11.3 3.0 15 21 A Q H X S+ 0 0 46 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.885 109.7 47.8 -61.1 -38.3 11.4 -12.5 3.7 16 22 A Q H X S+ 0 0 36 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.862 112.0 50.1 -68.8 -37.1 11.5 -10.9 7.1 17 23 A V H X S+ 0 0 4 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.929 112.3 47.0 -66.6 -43.6 12.9 -7.6 5.7 18 24 A V H X S+ 0 0 15 -4,-2.9 4,-1.0 1,-0.2 5,-0.5 0.917 111.1 52.7 -63.8 -41.7 10.1 -7.6 3.0 19 25 A Q H >< S+ 0 0 121 -4,-2.1 3,-0.6 -5,-0.3 -1,-0.2 0.927 113.8 41.1 -61.7 -43.9 7.6 -8.3 5.7 20 26 A A H 3< S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.614 107.0 65.7 -77.1 -13.9 8.7 -5.4 7.9 21 27 A S H >< S- 0 0 7 -4,-1.1 3,-0.9 -3,-0.4 -1,-0.2 0.672 89.0-149.8 -88.1 -17.2 9.1 -3.2 4.8 22 28 A K T << - 0 0 140 -4,-1.0 -3,-0.1 -3,-0.6 -2,-0.1 0.903 68.0 -35.4 50.1 60.0 5.4 -3.1 4.0 23 29 A D T 3 S+ 0 0 83 -5,-0.5 -1,-0.2 1,-0.3 2,-0.2 0.493 99.1 134.4 79.3 5.4 5.4 -2.7 0.2 24 30 A R < - 0 0 93 -3,-0.9 -1,-0.3 -6,-0.2 2,-0.1 -0.541 69.1 -92.8 -74.6 150.4 8.4 -0.4 -0.1 25 31 A N - 0 0 5 -2,-0.2 2,-0.4 339,-0.1 338,-0.2 -0.453 51.7-171.7 -56.3 136.8 11.0 -1.2 -2.8 26 32 A V E -A 362 0A 1 336,-2.0 336,-2.2 -2,-0.1 2,-0.4 -1.000 19.7-176.2-140.2 131.1 13.7 -3.4 -1.2 27 33 A V E +A 361 0A 0 -2,-0.4 2,-0.3 334,-0.2 334,-0.2 -0.983 21.6 169.9-125.7 145.8 17.0 -4.6 -2.5 28 34 A F E -A 360 0A 0 332,-2.3 332,-2.7 -2,-0.4 -2,-0.0 -0.981 32.8-132.4-156.6 153.0 18.9 -6.9 -0.3 29 35 A S > - 0 0 0 -2,-0.3 4,-1.9 330,-0.2 330,-0.2 -0.892 14.0-178.0-124.6 101.3 21.9 -9.2 -0.2 30 36 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.921 89.8 51.8 -58.3 -48.4 21.4 -12.8 1.2 31 37 A Y H > S+ 0 0 15 326,-1.9 4,-2.0 1,-0.2 5,-0.1 0.850 107.4 53.7 -55.7 -39.9 25.0 -13.6 0.7 32 38 A G H > S+ 0 0 0 326,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.918 110.9 44.6 -63.0 -45.5 26.0 -10.5 2.6 33 39 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.945 113.1 50.1 -68.9 -39.4 23.9 -11.3 5.6 34 40 A S H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.886 108.1 54.9 -66.2 -33.5 25.0 -14.9 5.7 35 41 A S H X S+ 0 0 11 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.917 111.9 41.4 -64.9 -45.4 28.7 -13.8 5.5 36 42 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.891 113.7 52.3 -70.0 -42.0 28.5 -11.6 8.5 37 43 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.833 104.4 58.1 -61.7 -34.8 26.3 -14.0 10.6 38 44 A A H X S+ 0 0 2 -4,-2.1 4,-0.7 -5,-0.2 3,-0.3 0.933 108.5 45.2 -59.3 -43.9 28.9 -16.7 9.9 39 45 A M H >X S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 4,-0.6 0.869 106.3 60.4 -62.6 -39.5 31.5 -14.5 11.5 40 46 A L H >X S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.3 4,-1.0 0.850 94.6 64.2 -61.1 -32.3 29.2 -13.7 14.3 41 47 A Q H 3< S+ 0 0 0 -4,-1.5 3,-0.5 -3,-0.3 -1,-0.3 0.879 100.9 51.5 -55.0 -37.4 29.1 -17.4 15.2 42 48 A M H << S+ 0 0 6 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.640 109.8 48.0 -83.0 -10.4 32.7 -17.3 16.0 43 49 A T H << S+ 0 0 0 -3,-1.1 253,-1.1 -4,-0.6 252,-0.6 0.562 107.1 65.3 -97.8 -10.9 32.4 -14.3 18.4 44 50 A T < + 0 0 0 -4,-1.0 249,-0.3 -3,-0.5 2,-0.3 -0.592 55.9 178.0-113.3 167.4 29.4 -15.7 20.3 45 51 A A >> + 0 0 15 247,-2.1 4,-1.7 -2,-0.2 3,-1.0 -0.873 47.2 26.7-149.8-176.8 28.9 -18.7 22.6 46 52 A G H 3> S- 0 0 37 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.174 124.5 -18.4 59.0-147.2 26.2 -20.3 24.7 47 53 A K H 3> S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.753 135.6 62.1 -67.6 -27.7 22.6 -19.6 23.7 48 54 A T H <> S+ 0 0 1 -3,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.982 110.0 39.5 -60.0 -57.0 23.6 -16.6 21.6 49 55 A R H X S+ 0 0 47 -4,-1.7 4,-3.1 243,-0.2 5,-0.2 0.899 114.6 55.0 -54.9 -43.7 25.8 -18.8 19.3 50 56 A R H X S+ 0 0 129 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.896 104.4 53.7 -64.2 -40.1 23.2 -21.6 19.4 51 57 A Q H X S+ 0 0 24 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.903 112.7 44.0 -55.2 -45.2 20.4 -19.3 18.2 52 58 A I H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.951 114.0 48.5 -70.0 -48.5 22.5 -18.3 15.2 53 59 A Q H X>S+ 0 0 17 -4,-3.1 4,-2.4 1,-0.2 5,-0.6 0.912 113.0 48.6 -56.9 -44.8 23.6 -21.9 14.4 54 60 A D H <5S+ 0 0 120 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.919 114.9 44.7 -61.5 -43.5 20.1 -23.1 14.7 55 61 A A H <5S+ 0 0 20 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.902 117.4 44.0 -71.7 -37.5 18.8 -20.4 12.4 56 62 A M H <5S- 0 0 3 -4,-3.0 -47,-0.2 2,-0.2 -1,-0.2 0.767 101.7-130.7 -80.6 -25.7 21.6 -20.7 9.9 57 63 A G T <5S+ 0 0 42 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.484 75.4 68.2 90.2 2.8 21.5 -24.5 9.7 58 64 A F S - 0 0 81 -2,-0.3 3,-2.1 1,-0.1 6,-0.3 -0.944 14.1-152.1-119.2 112.6 28.1 -24.5 12.6 60 66 A V T 3 S+ 0 0 1 -2,-0.6 6,-1.0 1,-0.3 7,-0.2 0.791 94.6 52.7 -57.8 -32.7 31.0 -22.5 11.3 61 67 A N T 3 S+ 0 0 72 4,-0.1 -1,-0.3 5,-0.1 2,-0.3 0.427 96.7 90.0 -83.1 0.7 33.5 -24.3 13.5 62 68 A E S X S- 0 0 71 -3,-2.1 3,-2.6 2,-0.0 4,-0.3 -0.705 92.2 -27.2-108.1 155.3 32.5 -27.8 12.5 63 69 A K T 3 S- 0 0 187 -2,-0.3 3,-0.3 1,-0.3 4,-0.2 -0.104 116.6 -41.8 44.6-140.1 33.6 -30.1 9.7 64 70 A G T 3> S+ 0 0 43 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 -0.148 100.5 124.2-108.0 39.6 34.9 -28.1 6.9 65 71 A T H <> S+ 0 0 11 -3,-2.6 4,-1.9 -6,-0.3 -1,-0.2 0.930 75.1 44.1 -68.0 -45.8 32.2 -25.5 7.1 66 72 A A H > S+ 0 0 6 -6,-1.0 4,-2.2 -4,-0.3 -1,-0.2 0.929 115.2 50.5 -64.4 -43.2 34.5 -22.4 7.5 67 73 A H H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.916 107.9 54.3 -58.0 -43.7 36.6 -23.9 4.7 68 74 A A H X S+ 0 0 36 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.855 108.1 48.6 -57.6 -40.9 33.5 -24.3 2.5 69 75 A L H X S+ 0 0 28 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.878 110.4 50.2 -69.8 -38.5 32.6 -20.7 3.0 70 76 A R H X S+ 0 0 58 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 112.1 48.3 -65.0 -40.4 36.1 -19.5 2.1 71 77 A Q H X S+ 0 0 74 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.849 108.0 55.7 -67.2 -34.2 36.0 -21.7 -1.0 72 78 A L H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.933 107.0 48.3 -58.4 -50.5 32.6 -20.2 -1.9 73 79 A S H X S+ 0 0 31 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.918 111.7 51.9 -59.2 -38.9 34.0 -16.7 -1.8 74 80 A K H X S+ 0 0 133 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.925 110.1 47.3 -59.9 -48.3 36.8 -17.9 -4.0 75 81 A E H >< S+ 0 0 67 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.919 111.1 51.0 -62.2 -44.3 34.5 -19.4 -6.5 76 82 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.8 46.2 -59.1 -34.6 32.3 -16.3 -6.6 77 83 A M H 3< S+ 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.450 86.4 123.1 -88.9 -2.6 35.3 -14.1 -7.2 78 84 A G X< - 0 0 6 -3,-1.1 3,-1.8 -4,-0.6 5,-0.3 -0.318 68.3-125.8 -68.6 148.3 36.9 -16.3 -9.9 79 85 A P G > S+ 0 0 112 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.733 102.8 72.9 -65.5 -23.9 37.6 -14.9 -13.4 80 86 A W G 3 S+ 0 0 131 1,-0.3 138,-0.4 2,-0.1 139,-0.1 0.641 79.9 73.8 -67.8 -15.1 35.6 -17.5 -15.1 81 87 A N G < S- 0 0 0 -3,-1.8 138,-0.4 -6,-0.1 139,-0.3 0.753 92.6-146.2 -66.5 -22.1 32.4 -15.9 -13.9 82 88 A K S < S+ 0 0 118 -3,-1.7 2,-0.3 -4,-0.2 86,-0.2 0.566 71.6 81.8 67.6 10.7 33.2 -13.2 -16.6 83 89 A N S S- 0 0 15 -5,-0.3 2,-0.2 84,-0.1 84,-0.2 -0.976 88.9-105.9-144.9 134.4 31.7 -10.5 -14.3 84 90 A E E +H 166 0B 90 82,-0.8 82,-2.4 -2,-0.3 2,-0.4 -0.369 41.9 167.2 -66.7 124.4 33.4 -8.8 -11.4 85 91 A I E +H 165 0B 8 80,-0.2 2,-0.4 -2,-0.2 80,-0.2 -0.995 5.9 178.1-131.7 132.4 32.4 -9.9 -7.9 86 92 A S E -H 164 0B 30 78,-2.3 78,-2.7 -2,-0.4 2,-0.4 -0.996 2.9-178.9-131.0 142.3 34.3 -9.0 -4.7 87 93 A T E +H 163 0B 19 -2,-0.4 2,-0.3 76,-0.2 76,-0.2 -0.996 4.5 175.0-136.7 140.1 33.3 -9.9 -1.2 88 94 A A E -H 162 0B 21 74,-1.9 74,-2.6 -2,-0.4 2,-0.3 -0.987 11.9-159.2-145.0 145.8 35.2 -8.9 1.9 89 95 A D E -H 161 0B 37 -2,-0.3 2,-0.3 72,-0.2 72,-0.2 -0.946 12.5-178.9-125.6 149.2 34.5 -9.4 5.6 90 96 A A E -H 160 0B 0 70,-2.4 70,-2.4 -2,-0.3 2,-0.4 -0.991 17.2-154.9-147.5 152.6 35.9 -7.4 8.5 91 97 A I E -H 159 0B 0 23,-0.4 25,-3.1 -2,-0.3 2,-0.5 -0.997 9.5-168.4-130.1 125.1 35.7 -7.3 12.3 92 98 A F E -Hi 158 116B 2 66,-3.1 66,-3.0 -2,-0.4 2,-0.3 -0.964 11.7-176.4-111.9 126.2 36.5 -4.1 14.2 93 99 A V E -Hi 157 117B 0 23,-2.5 25,-2.1 -2,-0.5 64,-0.2 -0.949 39.0 -87.0-124.8 148.7 36.9 -4.5 17.9 94 100 A Q E > - i 0 118B 9 62,-2.6 3,-1.7 -2,-0.3 25,-0.2 -0.263 42.7-128.1 -47.9 128.5 37.4 -1.9 20.7 95 101 A R T 3 S+ 0 0 120 23,-1.9 -1,-0.1 1,-0.3 24,-0.1 0.837 103.2 40.5 -56.0 -40.3 41.2 -1.5 20.9 96 102 A D T 3 S+ 0 0 119 22,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.228 83.5 119.4-100.3 15.0 41.6 -2.1 24.7 97 103 A L < - 0 0 6 -3,-1.7 2,-0.7 59,-0.1 -4,-0.0 -0.701 68.0-127.8 -77.1 123.3 39.1 -5.0 24.8 98 104 A E - 0 0 129 -2,-0.5 201,-0.5 1,-0.0 200,-0.4 -0.644 26.9-146.8 -78.0 115.8 41.0 -8.0 26.0 99 105 A L - 0 0 29 -2,-0.7 198,-0.3 198,-0.2 3,-0.1 -0.427 25.8 -90.3 -83.2 154.7 40.3 -10.8 23.6 100 106 A V > - 0 0 43 196,-2.8 3,-2.5 195,-0.1 4,-0.3 -0.373 60.2 -87.9 -59.3 137.9 40.0 -14.5 24.4 101 107 A Q T 3 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 -0.288 113.9 10.5 -52.4 126.3 43.5 -16.1 24.2 102 108 A G T 3> S+ 0 0 42 -3,-0.1 4,-2.1 4,-0.0 -1,-0.3 0.402 89.7 122.7 86.2 -2.4 44.0 -17.3 20.6 103 109 A F H <> S+ 0 0 9 -3,-2.5 4,-3.0 1,-0.2 5,-0.3 0.936 71.8 49.5 -57.4 -49.4 40.9 -15.5 19.2 104 110 A M H > S+ 0 0 69 -4,-0.3 4,-1.8 1,-0.2 11,-0.2 0.885 113.8 43.8 -62.9 -44.2 42.8 -13.4 16.6 105 111 A P H > S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.882 116.5 47.8 -62.5 -43.7 44.8 -16.4 15.1 106 112 A H H X S+ 0 0 76 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.911 112.0 48.6 -68.6 -44.2 41.7 -18.7 15.1 107 113 A F H X S+ 0 0 2 -4,-3.0 4,-2.6 -5,-0.3 5,-0.4 0.900 111.7 50.0 -60.7 -41.6 39.5 -16.0 13.5 108 114 A F H X S+ 0 0 79 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.899 110.7 51.0 -66.1 -37.9 42.2 -15.4 10.8 109 115 A K H < S+ 0 0 110 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.956 117.4 37.0 -60.8 -53.2 42.4 -19.2 10.2 110 116 A L H < S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.828 136.9 18.9 -69.8 -35.0 38.7 -19.6 9.7 111 117 A F H < S- 0 0 27 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.553 86.5-133.9-118.4 -12.9 38.0 -16.3 7.9 112 118 A Q S < S+ 0 0 110 -4,-2.8 2,-0.4 -5,-0.4 -4,-0.2 0.826 71.7 108.7 59.0 32.9 41.4 -15.1 6.6 113 119 A T - 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