==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-06 2IX9 . COMPND 2 MOLECULE: FERULOYL ESTERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR G.SULZENBACHER,I.BENOIT . 520 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 0 2 0 0 2 0 0 0 2 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 4 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 . 5 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 1 A A 0 0 91 0, 0.0 227,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.9 10.5 20.7 31.3 2 2 A S E -A 227 0A 63 225,-0.2 2,-0.3 2,-0.0 225,-0.2 -0.992 360.0-171.5-151.0 148.7 7.0 19.8 30.2 3 3 A T E -A 226 0A 90 223,-1.7 223,-2.7 -2,-0.3 2,-0.5 -0.947 23.9-125.2-134.8 155.3 4.3 21.1 27.8 4 4 A Q E +A 225 0A 113 -2,-0.3 221,-0.2 221,-0.2 219,-0.1 -0.913 68.1 28.5-106.9 130.0 0.8 20.0 27.4 5 5 A G - 0 0 27 219,-2.6 2,-0.3 -2,-0.5 217,-0.2 0.316 53.8-150.2 101.0 136.7 -0.6 18.9 24.1 6 6 A I - 0 0 23 215,-1.7 218,-0.1 219,-0.1 217,-0.0 -0.816 36.4 -82.1-126.5 167.7 0.7 17.4 20.9 7 7 A S > - 0 0 69 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.357 33.9-122.9 -64.7 149.3 -0.4 17.7 17.2 8 8 A E H > S+ 0 0 144 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.870 114.0 57.6 -57.4 -38.7 -3.2 15.5 16.0 9 9 A D H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 111.3 41.2 -58.8 -43.7 -0.8 14.0 13.4 10 10 A L H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.954 114.9 51.5 -69.2 -47.2 1.6 12.9 16.1 11 11 A Y H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.926 108.4 51.2 -52.7 -51.7 -1.2 11.7 18.4 12 12 A N H X S+ 0 0 88 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.856 109.1 51.6 -56.1 -37.5 -2.7 9.7 15.6 13 13 A R H X S+ 0 0 46 -4,-1.5 4,-2.6 -3,-0.3 5,-0.3 0.924 109.0 49.9 -63.7 -47.9 0.8 8.1 15.0 14 14 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.924 111.8 48.8 -58.1 -45.7 1.1 7.2 18.6 15 15 A V H X S+ 0 0 34 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.913 110.3 50.7 -61.8 -43.6 -2.4 5.6 18.6 16 16 A E H X S+ 0 0 50 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.918 113.7 44.3 -59.1 -43.7 -1.6 3.6 15.4 17 17 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.859 111.6 53.4 -72.6 -36.2 1.6 2.3 16.9 18 18 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.905 107.2 53.3 -60.2 -40.1 -0.1 1.6 20.2 19 19 A T H X S+ 0 0 21 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.938 110.5 44.9 -59.2 -49.9 -2.8 -0.4 18.2 20 20 A I H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.921 113.6 51.7 -62.4 -39.5 -0.2 -2.6 16.5 21 21 A S H < S+ 0 0 1 -4,-2.4 111,-0.3 1,-0.2 46,-0.3 0.899 113.7 42.4 -62.2 -43.9 1.7 -3.1 19.8 22 22 A Q H >< S+ 0 0 1 -4,-2.6 234,-2.3 1,-0.2 3,-0.8 0.803 112.3 54.7 -76.9 -29.7 -1.5 -4.2 21.7 23 23 A A H ><>S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.2 5,-2.2 0.721 89.8 76.9 -70.2 -23.7 -2.6 -6.4 18.7 24 24 A A G ><5S+ 0 0 1 -4,-1.3 3,-0.7 1,-0.3 -1,-0.2 0.731 84.9 64.5 -62.0 -21.5 0.8 -8.2 18.8 25 25 A Y G < 5S+ 0 0 48 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.549 109.7 37.7 -75.4 -10.5 -0.6 -10.1 21.9 26 26 A A G X 5S- 0 0 35 -3,-2.2 3,-0.6 3,-0.1 -1,-0.2 -0.269 129.3 -80.8-139.2 51.4 -3.3 -11.7 19.6 27 27 A D T < 5S- 0 0 106 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.833 87.6 -61.8 53.2 38.0 -1.6 -12.5 16.3 28 28 A L T > - 0 0 53 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.118 37.7-129.8 -48.7 138.8 -5.4 -1.9 9.3 33 33 A S T 3 S+ 0 0 125 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.716 104.4 67.7 -65.6 -21.4 -5.9 -3.8 6.1 34 34 A T T 3 S+ 0 0 69 2,-0.1 2,-0.6 21,-0.0 22,-0.5 0.438 79.2 94.1 -74.3 -4.5 -3.2 -1.6 4.4 35 35 A I S < S- 0 0 12 -3,-1.8 2,-0.6 20,-0.1 20,-0.2 -0.832 73.1-143.4 -88.8 127.3 -0.5 -3.1 6.6 36 36 A I E -B 54 0A 70 18,-3.3 18,-2.2 -2,-0.6 2,-0.5 -0.854 14.7-139.5 -90.6 119.9 1.2 -6.0 4.9 37 37 A K E -B 53 0A 111 -2,-0.6 16,-0.2 16,-0.2 3,-0.1 -0.740 26.7-177.9 -86.5 120.7 2.0 -8.7 7.4 38 38 A G E - 0 0 36 14,-2.3 15,-0.1 -2,-0.5 -1,-0.1 -0.061 39.2 -25.4 -99.2-154.5 5.4 -10.2 6.9 39 39 A E E - 0 0 103 1,-0.1 13,-1.6 12,-0.1 2,-0.5 -0.165 61.6-114.8 -64.0 145.1 7.4 -13.0 8.6 40 40 A K E -B 51 0A 68 11,-0.2 2,-0.5 -3,-0.1 11,-0.3 -0.691 21.9-143.0 -77.5 124.1 6.8 -14.0 12.2 41 41 A I E +B 50 0A 1 9,-2.4 9,-2.3 -2,-0.5 2,-0.3 -0.775 38.1 158.7 -84.1 128.0 9.8 -13.3 14.5 42 42 A Y E -B 49 0A 113 -2,-0.5 2,-0.4 7,-0.2 7,-0.2 -0.974 33.2-178.1-159.4 135.2 10.0 -16.2 17.0 43 43 A N E >> -B 48 0A 23 5,-1.6 4,-1.6 -2,-0.3 5,-0.9 -0.964 14.9-157.6-130.3 125.0 12.2 -18.0 19.3 44 44 A A T 45S+ 0 0 58 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.856 90.6 55.6 -67.0 -35.6 10.8 -21.0 21.2 45 45 A Q T 45S+ 0 0 151 1,-0.2 -1,-0.2 61,-0.1 61,-0.0 0.875 123.5 24.5 -67.7 -40.6 13.3 -20.9 24.1 46 46 A T T 45S- 0 0 10 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.560 97.8-133.8 -97.6 -11.5 12.6 -17.3 25.1 47 47 A D T <5 + 0 0 28 -4,-1.6 2,-0.5 1,-0.2 22,-0.2 0.818 43.3 166.2 52.3 35.8 9.1 -17.2 23.6 48 48 A I E < -B 43 0A 1 -5,-0.9 -5,-1.6 55,-0.1 2,-0.4 -0.734 13.6-171.6 -75.4 126.6 9.9 -13.9 22.0 49 49 A N E +B 42 0A 13 -2,-0.5 17,-3.2 17,-0.3 2,-0.3 -0.969 19.6 128.3-121.9 134.9 7.1 -13.1 19.4 50 50 A G E -BC 41 65A 0 -9,-2.3 -9,-2.4 -2,-0.4 2,-0.3 -0.942 33.7-136.0-163.8-175.1 7.1 -10.3 16.9 51 51 A W E -BC 40 64A 11 13,-2.2 13,-2.4 -2,-0.3 2,-0.4 -0.988 12.9-130.8-147.8 153.7 6.6 -9.5 13.2 52 52 A I E + C 0 63A 7 -13,-1.6 -14,-2.3 -2,-0.3 2,-0.3 -0.919 37.2 175.7-101.3 138.2 8.0 -7.5 10.4 53 53 A L E -BC 37 62A 2 9,-2.7 9,-2.3 -2,-0.4 2,-0.4 -0.890 19.1-145.8-135.7 160.8 5.3 -5.5 8.5 54 54 A R E -BC 36 61A 36 -18,-2.2 -18,-3.3 -2,-0.3 2,-0.5 -0.998 6.6-167.9-134.4 139.3 5.2 -2.9 5.8 55 55 A D E >> - C 0 60A 5 5,-3.1 5,-2.0 -2,-0.4 4,-0.6 -0.921 3.8-177.6-121.8 103.9 2.9 0.0 5.2 56 56 A D T 45S+ 0 0 56 -2,-0.5 -1,-0.1 -22,-0.5 -21,-0.1 0.730 82.0 60.3 -70.6 -23.6 3.4 1.3 1.7 57 57 A T T 45S+ 0 0 109 -23,-0.3 -1,-0.2 1,-0.2 -22,-0.1 0.795 117.4 30.2 -78.3 -26.2 0.9 4.2 2.2 58 58 A S T 45S- 0 0 42 -3,-0.4 68,-0.2 2,-0.2 -2,-0.2 0.351 107.7-125.2-107.6 4.8 3.1 5.6 5.1 59 59 A K T <5 + 0 0 118 -4,-0.6 67,-2.3 1,-0.2 2,-0.3 0.945 63.9 130.0 48.9 56.7 6.3 4.4 3.5 60 60 A E E < -Cd 55 126A 0 -5,-2.0 -5,-3.1 65,-0.3 2,-0.5 -0.997 53.7-147.7-139.0 144.2 7.5 2.4 6.6 61 61 A I E -Cd 54 127A 0 65,-2.8 67,-2.6 -2,-0.3 2,-0.5 -0.967 30.0-156.4 -99.9 123.7 8.8 -1.0 7.4 62 62 A I E -Cd 53 128A 0 -9,-2.3 -9,-2.7 -2,-0.5 2,-0.6 -0.897 14.9-167.4-114.3 124.9 7.5 -1.8 11.0 63 63 A T E -Cd 52 129A 3 65,-2.8 67,-2.9 -2,-0.5 2,-0.4 -0.963 17.4-175.6-105.5 120.1 9.1 -4.3 13.4 64 64 A V E -Cd 51 130A 0 -13,-2.4 -13,-2.2 -2,-0.6 2,-0.4 -0.961 10.7-158.5-120.8 140.6 6.8 -5.0 16.3 65 65 A F E -Cd 50 131A 0 65,-2.0 67,-0.7 -2,-0.4 2,-0.3 -0.928 16.7-128.7-116.1 137.4 7.4 -7.1 19.4 66 66 A R - 0 0 30 -17,-3.2 -17,-0.3 -2,-0.4 3,-0.1 -0.578 22.9-137.1 -72.7 139.7 4.8 -8.7 21.7 67 67 A G - 0 0 0 -46,-0.3 2,-0.2 -2,-0.3 -18,-0.2 0.030 59.0 -27.7 -76.1-159.2 5.2 -8.1 25.4 68 68 A T + 0 0 27 1,-0.1 -1,-0.2 64,-0.1 3,-0.1 -0.327 63.0 149.3 -68.0 121.1 4.7 -10.7 28.0 69 69 A G + 0 0 49 -22,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.116 64.6 32.8-131.1 18.2 2.4 -13.6 27.0 70 70 A S S > S- 0 0 30 1,-0.1 4,-1.9 -23,-0.0 -1,-0.1 -0.978 81.8-106.2-164.4 160.4 3.9 -16.4 29.0 71 71 A D H > S+ 0 0 102 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.844 119.7 61.8 -62.8 -34.5 5.7 -17.4 32.2 72 72 A T H > S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.938 105.9 45.5 -54.8 -47.1 8.8 -17.8 30.0 73 73 A N H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.884 107.2 58.5 -61.1 -41.7 8.5 -14.1 29.1 74 74 A L H X S+ 0 0 20 -4,-1.9 4,-1.8 1,-0.2 430,-0.4 0.855 100.1 57.7 -59.1 -34.0 7.9 -13.2 32.8 75 75 A Q H < S+ 0 0 52 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.890 109.4 45.2 -61.2 -38.2 11.3 -14.8 33.5 76 76 A L H >< S+ 0 0 14 -4,-1.1 3,-1.6 -3,-0.4 23,-0.3 0.948 109.8 53.9 -69.2 -48.9 12.8 -12.3 31.1 77 77 A D H 3< S+ 0 0 23 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.832 110.3 47.3 -50.3 -37.5 10.8 -9.3 32.5 78 78 A T T 3< S+ 0 0 30 -4,-1.8 2,-0.8 426,-0.2 -1,-0.3 0.199 82.9 99.2-101.8 11.1 12.0 -9.9 36.1 79 79 A N < + 0 0 35 -3,-1.6 20,-1.9 1,-0.1 21,-0.3 -0.869 43.3 173.0 -97.0 98.2 15.8 -10.4 35.4 80 80 A Y + 0 0 53 -2,-0.8 2,-0.5 18,-0.2 -1,-0.1 0.211 27.9 132.8 -92.9 12.2 17.2 -7.0 36.3 81 81 A T - 0 0 69 16,-0.1 17,-0.7 1,-0.1 2,-0.2 -0.555 59.5-126.3 -69.9 117.8 20.9 -8.0 36.0 82 82 A L E -I 97 0B 43 -2,-0.5 15,-0.2 15,-0.2 -1,-0.1 -0.454 31.7-169.2 -65.0 132.5 22.7 -5.3 33.9 83 83 A T E -I 96 0B 37 13,-2.3 13,-2.8 -2,-0.2 -1,-0.0 -0.981 28.8-103.5-130.4 132.7 24.5 -6.9 31.0 84 84 A P E -I 95 0B 56 0, 0.0 2,-2.3 0, 0.0 11,-0.3 -0.310 32.5-124.2 -55.6 135.9 27.0 -5.4 28.6 85 85 A F > + 0 0 4 9,-2.3 3,-1.9 6,-0.2 6,-0.3 -0.449 45.8 166.4 -82.9 71.7 25.3 -4.7 25.2 86 86 A D T 3 + 0 0 112 -2,-2.3 -1,-0.2 1,-0.3 9,-0.0 0.578 61.9 69.0 -76.0 -12.0 27.9 -6.9 23.4 87 87 A T T 3 S+ 0 0 26 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.703 111.3 35.8 -73.9 -17.5 26.0 -7.1 20.2 88 88 A L S X S+ 0 0 2 -3,-1.9 3,-2.1 3,-0.1 -1,-0.3 -0.663 70.1 167.7-132.9 70.9 26.7 -3.4 19.7 89 89 A P T 3 + 0 0 94 0, 0.0 4,-0.2 0, 0.0 5,-0.1 0.671 69.2 74.2 -69.4 -13.7 30.2 -2.9 21.2 90 90 A Q T 3 S+ 0 0 117 1,-0.1 2,-1.3 2,-0.1 -4,-0.1 0.563 75.6 88.1 -69.1 -10.8 30.4 0.6 19.6 91 91 A b S X S- 0 0 7 -3,-2.1 3,-1.7 -6,-0.3 2,-0.2 -0.784 88.0-142.5 -83.8 86.9 28.0 1.5 22.4 92 92 A N T 3 S- 0 0 128 -2,-1.3 3,-0.1 1,-0.3 -2,-0.1 -0.437 72.6 -8.6 -64.4 122.0 30.8 2.2 24.9 93 93 A D T 3 S+ 0 0 125 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.592 94.3 155.6 68.7 12.3 30.1 1.1 28.5 94 94 A b < + 0 0 6 -3,-1.7 -9,-2.3 73,-0.2 2,-0.4 -0.561 17.4 179.5 -73.8 131.1 26.4 0.4 27.5 95 95 A E E -I 84 0B 66 -2,-0.3 70,-2.4 -11,-0.3 73,-0.3 -0.970 5.4-165.0-130.0 147.6 24.6 -2.2 29.6 96 96 A V E -IJ 83 164B 0 -13,-2.8 -13,-2.3 -2,-0.4 68,-0.3 -0.877 38.5 -68.1-130.1 161.6 21.1 -3.3 29.2 97 97 A H E > -I 82 0B 0 66,-2.2 4,-2.2 -2,-0.3 -15,-0.2 -0.256 45.8-138.6 -45.3 123.3 18.3 -5.2 31.1 98 98 A G H > S+ 0 0 0 -17,-0.7 4,-1.9 -19,-0.2 -18,-0.2 0.827 97.3 49.3 -64.5 -40.4 19.6 -8.7 31.3 99 99 A G H > S+ 0 0 0 -20,-1.9 4,-2.2 -23,-0.3 -1,-0.2 0.931 113.4 45.8 -66.5 -46.6 16.2 -10.4 30.6 100 100 A Y H > S+ 0 0 6 -21,-0.3 4,-3.1 -24,-0.3 -2,-0.2 0.872 109.1 57.0 -68.5 -31.6 15.5 -8.3 27.6 101 101 A Y H X S+ 0 0 27 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.920 105.9 49.2 -60.6 -44.3 19.1 -8.9 26.4 102 102 A I H X S+ 0 0 83 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.924 112.8 49.8 -60.6 -41.5 18.5 -12.7 26.5 103 103 A G H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 3,-0.3 0.963 112.0 46.5 -54.6 -56.9 15.3 -12.0 24.5 104 104 A W H >X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 3,-1.2 0.930 109.2 53.5 -55.6 -51.5 17.2 -9.9 21.9 105 105 A I H 3< S+ 0 0 79 -4,-3.0 4,-0.4 1,-0.3 -1,-0.2 0.854 104.5 57.8 -52.8 -38.4 20.1 -12.3 21.5 106 106 A S H 3< S+ 0 0 32 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.775 121.0 24.4 -67.1 -26.8 17.5 -15.1 20.7 107 107 A V H S+ 0 0 126 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.933 114.3 44.8 -64.1 -41.1 19.8 -12.9 13.6 110 110 A Q H > S+ 0 0 51 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.898 114.7 48.1 -68.5 -44.7 16.2 -13.2 12.3 111 111 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.954 112.9 47.2 -60.4 -51.5 15.4 -9.6 12.9 112 112 A E H X S+ 0 0 59 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.885 113.0 49.1 -60.3 -40.2 18.5 -8.3 11.2 113 113 A S H X S+ 0 0 78 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.923 113.3 45.8 -68.5 -42.7 18.1 -10.6 8.2 114 114 A L H X S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 115.3 46.5 -65.6 -45.6 14.4 -9.6 7.7 115 115 A V H X S+ 0 0 1 -4,-2.8 4,-3.4 -5,-0.2 5,-0.3 0.913 109.5 54.8 -63.2 -42.3 15.1 -5.9 8.1 116 116 A K H X S+ 0 0 142 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.923 110.4 46.2 -58.0 -44.7 18.1 -6.0 5.8 117 117 A Q H X S+ 0 0 93 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.959 118.1 40.9 -62.1 -52.4 16.0 -7.6 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