==== 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 INHIBITOR 08-DEC-08 3FGQ . COMPND 2 MOLECULE: NEUROSERPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.TAKEHARA,X.YANG,B.MIKAMI,M.ONDA . 748 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 19.8 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 . 2 0.3 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 . 78 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 2 0 0 2 4 2 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 2 0 2 0 0 10 0 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 2 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 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 22 A P 0 0 63 0, 0.0 4,-0.3 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 98.4 27.3 10.7 -0.0 2 23 A E > + 0 0 123 1,-0.2 3,-0.8 2,-0.1 4,-0.5 0.913 360.0 44.5 -71.1 -44.2 26.8 7.2 1.5 3 24 A E T 3> S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.604 91.6 82.7 -81.2 -12.4 25.3 8.4 4.7 4 25 A A H 3> S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.814 87.0 58.0 -62.0 -30.3 23.0 11.0 3.1 5 26 A I H <> S+ 0 0 18 -3,-0.8 4,-1.9 -4,-0.3 5,-0.2 0.962 106.6 47.0 -63.1 -52.1 20.5 8.1 2.5 6 27 A A H > S+ 0 0 13 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.858 113.4 48.1 -55.2 -40.8 20.3 7.3 6.2 7 28 A D H X S+ 0 0 74 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.867 105.8 58.6 -74.7 -36.1 19.8 10.9 7.2 8 29 A L H X S+ 0 0 22 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.979 111.7 39.4 -51.8 -60.7 17.2 11.5 4.6 9 30 A S H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.888 115.5 51.8 -61.0 -41.6 14.9 8.8 6.0 10 31 A V H X S+ 0 0 8 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.938 114.9 43.1 -63.4 -43.4 15.7 9.6 9.6 11 32 A N H X S+ 0 0 98 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.923 115.5 48.7 -64.2 -45.9 14.8 13.2 8.9 12 33 A M H X S+ 0 0 6 -4,-3.4 4,-3.3 -5,-0.3 5,-0.2 0.900 108.8 54.8 -59.5 -41.7 11.8 12.3 6.9 13 34 A Y H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.928 108.1 48.2 -63.5 -45.1 10.7 9.9 9.7 14 35 A N H X S+ 0 0 44 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.905 112.2 49.4 -62.6 -39.7 10.8 12.6 12.3 15 36 A R H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.961 113.2 45.4 -56.5 -53.7 8.8 14.9 10.0 16 37 A L H X S+ 0 0 7 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.891 113.7 50.0 -59.8 -39.7 6.2 12.3 9.4 17 38 A R H < S+ 0 0 66 -4,-2.9 3,-0.3 -5,-0.2 -1,-0.2 0.910 107.3 56.5 -61.4 -44.8 6.2 11.5 13.1 18 39 A A H < S+ 0 0 73 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.938 122.1 24.5 -49.4 -54.5 5.8 15.2 13.8 19 40 A T H < S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.474 113.8 70.0 -96.4 2.8 2.6 15.5 11.7 20 41 A G S >< S- 0 0 13 -4,-1.3 3,-2.8 -3,-0.3 -1,-0.2 -0.086 70.7-170.6-111.2 29.0 1.5 11.9 11.8 21 42 A E T 3 - 0 0 146 -3,-0.3 3,-0.1 1,-0.3 -3,-0.1 0.090 69.2 -18.6 -57.6 108.7 0.4 11.6 15.3 22 43 A D T 3 S+ 0 0 64 1,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.382 104.0 117.3 97.0 -14.1 -0.4 8.1 16.1 23 44 A E S < S- 0 0 118 -3,-2.8 -1,-0.3 1,-0.1 -3,-0.1 -0.568 72.8 -90.5 -82.2 156.3 -0.8 6.7 12.6 24 45 A N - 0 0 29 -2,-0.2 2,-0.4 347,-0.1 345,-0.2 -0.352 40.9-147.6 -52.5 144.2 1.3 4.1 10.9 25 46 A I E +A 368 0A 0 343,-1.7 343,-1.6 -3,-0.1 2,-0.3 -0.968 24.2 161.9-120.3 138.5 4.3 5.4 9.0 26 47 A L E +A 367 0A 0 -2,-0.4 293,-0.4 341,-0.2 2,-0.3 -0.832 8.2 143.5-157.8 120.4 5.8 3.9 5.9 27 48 A F E -A 366 0A 1 339,-2.1 339,-2.0 -2,-0.3 252,-0.0 -0.985 39.3-127.6-149.1 155.3 8.0 5.3 3.3 28 49 A S > - 0 0 0 -2,-0.3 4,-2.5 337,-0.2 337,-0.2 -0.956 9.4-161.3-107.6 118.1 10.9 4.4 1.1 29 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.852 94.4 49.6 -55.6 -46.6 14.0 6.6 1.3 30 51 A L H > S+ 0 0 1 333,-0.6 4,-2.9 334,-0.2 5,-0.2 0.925 111.8 48.0 -61.7 -48.2 15.3 5.4 -2.1 31 52 A S H > S+ 0 0 0 333,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.938 114.6 46.0 -59.2 -43.5 12.0 5.9 -3.8 32 53 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.880 112.6 49.9 -68.5 -36.9 11.8 9.4 -2.3 33 54 A A H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.874 108.5 54.0 -68.8 -36.3 15.4 10.2 -3.2 34 55 A L H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.954 109.5 47.5 -59.5 -48.5 14.6 9.0 -6.7 35 56 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.879 112.0 50.0 -59.2 -40.6 11.6 11.4 -6.9 36 57 A M H X S+ 0 0 7 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.857 106.9 54.2 -71.3 -35.9 13.8 14.3 -5.6 37 58 A G H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.906 106.3 53.1 -58.4 -43.0 16.5 13.5 -8.2 38 59 A M H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 112.9 43.6 -58.3 -45.6 13.7 13.8 -10.8 39 60 A M H X S+ 0 0 6 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.928 112.7 52.3 -64.2 -46.7 12.9 17.2 -9.4 40 61 A E H < S+ 0 0 8 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 112.9 44.4 -55.8 -44.7 16.5 18.2 -9.1 41 62 A L H < S+ 0 0 35 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.7 49.7 -72.7 -36.6 17.2 17.3 -12.8 42 63 A G H < S+ 0 0 0 -4,-2.1 261,-1.4 -5,-0.2 262,-1.0 0.860 106.1 71.3 -64.2 -35.9 14.1 19.0 -14.0 43 64 A A < - 0 0 0 -4,-2.6 2,-0.3 260,-0.2 258,-0.3 -0.349 60.0-171.9 -83.1 160.9 14.9 22.2 -12.1 44 65 A Q >> + 0 0 91 256,-2.3 3,-1.0 -2,-0.1 4,-0.6 -0.967 49.4 0.3-140.7 162.0 17.6 24.8 -12.7 45 66 A G H 3> S- 0 0 49 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 -0.341 127.1 -7.9 71.0-141.8 18.9 27.8 -10.8 46 67 A S H 3> S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.836 136.3 58.2 -60.9 -35.5 17.5 28.8 -7.5 47 68 A T H <> S+ 0 0 1 -3,-1.0 4,-1.3 1,-0.2 -2,-0.2 0.966 111.6 40.7 -59.7 -49.8 14.8 26.2 -8.0 48 69 A Q H X S+ 0 0 53 -4,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.830 112.6 57.4 -65.2 -32.8 17.5 23.5 -8.3 49 70 A K H X S+ 0 0 83 -4,-2.4 4,-3.9 1,-0.2 5,-0.3 0.919 101.8 51.9 -68.3 -45.0 19.5 25.1 -5.5 50 71 A E H X S+ 0 0 51 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.910 112.3 49.2 -54.3 -42.9 16.8 24.8 -2.8 51 72 A I H X S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.2 -2,-0.2 0.956 116.6 38.6 -66.5 -49.8 16.4 21.2 -3.7 52 73 A R H X>S+ 0 0 23 -4,-2.3 5,-3.9 2,-0.2 4,-0.8 0.927 118.8 50.6 -62.5 -45.1 20.1 20.4 -3.5 53 74 A H H ><5S+ 0 0 112 -4,-3.9 3,-0.8 1,-0.2 5,-0.2 0.917 110.5 47.4 -59.1 -46.4 20.5 22.7 -0.5 54 75 A S H 3<5S+ 0 0 41 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.785 113.3 49.7 -66.5 -26.7 17.6 21.1 1.4 55 76 A M H 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.591 117.7-116.6 -87.0 -11.2 19.1 17.7 0.6 56 77 A G T <<5S+ 0 0 48 -3,-0.8 3,-0.4 -4,-0.8 -3,-0.2 0.701 78.9 127.1 81.7 23.9 22.4 18.9 1.8 57 78 A Y > < + 0 0 18 -5,-3.9 3,-1.1 1,-0.2 -4,-0.2 0.074 24.7 116.8-101.0 21.0 24.0 18.5 -1.7 58 79 A D T 3 S+ 0 0 50 -6,-0.4 -1,-0.2 1,-0.2 -5,-0.1 0.861 79.3 45.0 -52.2 -42.7 25.4 22.0 -1.9 59 80 A S T 3 S+ 0 0 89 -3,-0.4 2,-0.8 -7,-0.1 -1,-0.2 0.438 88.7 97.7 -89.2 -3.4 29.0 20.7 -2.1 60 81 A L < + 0 0 26 -3,-1.1 3,-0.2 1,-0.1 5,-0.1 -0.788 41.7 164.6 -89.5 111.2 28.3 17.9 -4.6 61 82 A K + 0 0 151 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.0 0.563 63.7 50.9-105.9 -9.2 29.2 19.3 -8.1 62 83 A N S S- 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.124 117.0 -88.8-121.5 18.9 29.4 16.2 -10.3 63 84 A G S > S+ 0 0 26 -3,-0.2 3,-2.2 2,-0.0 4,-0.2 0.678 74.5 147.6 83.5 17.5 26.2 14.4 -9.8 64 85 A E G > + 0 0 70 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.768 63.4 67.2 -54.7 -28.7 27.5 12.3 -6.9 65 86 A E G 3 S+ 0 0 6 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.545 90.7 63.4 -72.9 -6.2 24.1 12.3 -5.3 66 87 A F G X S+ 0 0 44 -3,-2.2 3,-1.5 1,-0.2 4,-0.3 0.418 73.1 94.8 -96.5 0.8 22.7 10.2 -8.1 67 88 A S T X> + 0 0 66 -3,-1.4 3,-1.3 1,-0.3 4,-0.6 0.787 69.6 70.4 -66.9 -26.2 24.9 7.2 -7.3 68 89 A F H 3> S+ 0 0 31 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.775 80.3 79.3 -60.5 -24.7 22.2 5.5 -5.2 69 90 A L H <> S+ 0 0 14 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.831 85.0 60.8 -53.3 -36.0 20.2 4.9 -8.4 70 91 A K H <> S+ 0 0 141 -3,-1.3 4,-1.9 -4,-0.3 -1,-0.2 0.957 107.6 40.6 -57.6 -56.1 22.5 1.9 -9.2 71 92 A E H X S+ 0 0 34 -4,-0.6 4,-1.6 -3,-0.3 -1,-0.2 0.896 113.1 57.3 -60.4 -38.9 21.6 -0.1 -6.1 72 93 A F H X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.907 104.8 50.4 -58.6 -43.8 18.0 1.0 -6.5 73 94 A S H X S+ 0 0 35 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.900 103.4 60.5 -62.3 -39.5 17.9 -0.5 -10.0 74 95 A N H >< S+ 0 0 72 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.902 103.8 50.2 -54.6 -43.7 19.3 -3.8 -8.6 75 96 A M H >< S+ 0 0 6 -4,-1.6 3,-1.3 1,-0.2 10,-0.4 0.874 103.4 58.0 -63.0 -39.6 16.3 -4.2 -6.3 76 97 A V H 3< S+ 0 0 59 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.718 114.6 39.9 -62.9 -18.8 13.8 -3.6 -9.1 77 98 A T T << S+ 0 0 106 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.258 87.1 128.0-115.0 8.6 15.4 -6.6 -10.9 78 99 A A S < S- 0 0 32 -3,-1.3 2,-0.2 -4,-0.2 7,-0.1 -0.174 71.1 -84.6 -62.6 159.3 16.0 -8.9 -7.9 79 100 A K >> - 0 0 137 1,-0.1 4,-1.9 5,-0.1 3,-1.3 -0.457 28.4-136.1 -65.1 139.2 14.7 -12.5 -8.0 80 101 A E T 34 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.2 88,-0.1 0.688 101.6 69.2 -68.8 -21.4 11.1 -13.0 -7.0 81 102 A S T 34 S+ 0 0 71 1,-0.1 -1,-0.3 2,-0.1 145,-0.1 0.689 108.6 38.2 -73.3 -17.1 12.0 -16.0 -4.9 82 103 A Q T <4 S- 0 0 49 -3,-1.3 86,-2.5 1,-0.4 144,-0.4 0.872 131.3 -45.9 -94.7 -59.6 13.7 -13.5 -2.6 83 104 A Y E < -I 167 0B 16 -4,-1.9 2,-0.4 84,-0.3 -1,-0.4 -0.971 42.9-123.9-162.4 169.2 11.4 -10.5 -2.6 84 105 A V E +I 166 0B 35 82,-2.7 82,-2.1 -2,-0.3 2,-0.5 -0.996 19.7 179.3-122.8 126.7 9.3 -8.3 -4.9 85 106 A M E -I 165 0B 9 -2,-0.4 2,-0.4 -10,-0.4 80,-0.2 -0.917 11.4-168.2-121.2 102.4 9.7 -4.5 -4.9 86 107 A K E -I 164 0B 46 78,-1.9 78,-2.3 -2,-0.5 2,-0.4 -0.760 6.0-170.1 -90.6 136.3 7.4 -2.9 -7.4 87 108 A I E -I 163 0B 21 -2,-0.4 2,-0.5 50,-0.3 76,-0.2 -0.980 15.4-169.8-129.0 138.7 8.0 0.7 -8.2 88 109 A A E +I 162 0B 1 74,-2.4 74,-2.1 -2,-0.4 2,-0.5 -0.937 15.8 169.2-124.7 106.5 5.9 3.2 -10.2 89 110 A N E +Ij 161 113B 4 23,-0.5 25,-1.9 -2,-0.5 2,-0.3 -0.975 13.3 148.1-119.0 124.1 7.7 6.5 -10.9 90 111 A S E -Ij 160 114B 0 70,-2.5 70,-3.4 -2,-0.5 2,-0.5 -0.997 40.1-144.1-156.4 146.8 6.2 9.0 -13.3 91 112 A L E -Ij 159 115B 8 23,-2.4 25,-3.2 -2,-0.3 2,-0.5 -0.962 22.2-157.3-103.7 127.1 5.8 12.6 -14.2 92 113 A F E -Ij 158 116B 0 66,-3.4 66,-2.7 -2,-0.5 2,-0.4 -0.938 14.6-173.2-105.9 128.0 2.4 13.4 -15.6 93 114 A V E -Ij 157 117B 1 23,-2.5 25,-2.4 -2,-0.5 64,-0.2 -0.962 31.1 -96.3-129.3 137.5 2.4 16.5 -17.7 94 115 A Q E > - j 0 118B 30 62,-2.8 3,-2.1 -2,-0.4 25,-0.2 -0.194 54.0 -95.2 -46.9 131.1 -0.5 18.5 -19.3 95 116 A N T 3 S+ 0 0 61 23,-2.5 -1,-0.1 1,-0.2 3,-0.1 -0.181 110.3 26.8 -45.5 136.8 -1.0 17.5 -23.0 96 117 A G T 3 S+ 0 0 78 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.151 85.7 121.7 93.6 -21.6 0.8 19.9 -25.3 97 118 A F < - 0 0 28 -3,-2.1 -1,-0.3 59,-0.1 2,-0.2 -0.640 65.2-122.4 -72.9 129.4 3.6 20.9 -22.9 98 119 A H - 0 0 96 -2,-0.4 2,-0.5 -3,-0.1 209,-0.4 -0.520 20.6-157.7 -73.6 136.4 7.0 20.1 -24.4 99 120 A V - 0 0 10 -2,-0.2 206,-0.3 206,-0.1 205,-0.1 -0.976 27.8-111.9-111.7 126.7 9.3 17.8 -22.4 100 121 A N > - 0 0 44 204,-2.6 4,-2.2 -2,-0.5 5,-0.1 -0.315 21.5-137.7 -54.5 133.5 13.0 18.0 -23.2 101 122 A E H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.821 101.2 55.6 -68.3 -31.4 14.1 14.8 -24.9 102 123 A E H > S+ 0 0 156 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 108.7 47.4 -67.6 -45.6 17.3 14.6 -22.9 103 124 A F H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.959 112.3 51.1 -56.2 -47.4 15.4 14.8 -19.6 104 125 A L H X S+ 0 0 49 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.918 110.4 48.9 -58.2 -43.7 13.0 12.1 -21.0 105 126 A Q H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.911 110.7 49.0 -65.0 -44.6 15.9 9.9 -21.9 106 127 A M H X>S+ 0 0 49 -4,-2.5 4,-2.9 2,-0.2 5,-1.1 0.909 109.3 53.6 -56.6 -48.2 17.6 10.2 -18.5 107 128 A M H X5S+ 0 0 0 -4,-2.7 6,-1.7 1,-0.2 4,-1.0 0.929 114.2 41.9 -51.9 -49.2 14.3 9.4 -16.7 108 129 A K H <5S+ 0 0 140 -4,-2.1 4,-0.3 4,-0.2 -1,-0.2 0.863 120.5 39.6 -67.3 -40.9 13.9 6.3 -18.7 109 130 A K H <5S+ 0 0 125 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.852 133.2 14.7 -86.4 -37.1 17.5 5.0 -18.6 110 131 A Y H <5S+ 0 0 139 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.678 126.6 45.2-111.5 -24.2 18.5 5.8 -15.0 111 132 A F S < - 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