==== 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 06-JUL-06 2HL6 . COMPND 2 MOLECULE: FERULOYL ESTERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR G.PARSIEGLA,I.HERPOEL-GIMBERT,J.DUBOTS . 520 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 73.8 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 . 75 14.4 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 . 46 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 25.4 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 3 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 . 4 3 4 2 0 2 2 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 79 0, 0.0 227,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.5 41.4 -21.3 16.7 2 2 A S E -A 227 0A 66 225,-0.2 2,-0.3 232,-0.0 225,-0.2 -0.989 360.0-166.9-150.5 152.4 43.4 -20.8 19.8 3 3 A T E -A 226 0A 89 223,-1.5 223,-2.8 -2,-0.3 2,-0.5 -0.954 26.4-122.0-134.1 157.5 46.0 -22.2 22.2 4 4 A Q E +A 225 0A 119 -2,-0.3 221,-0.2 221,-0.2 219,-0.1 -0.888 67.5 27.1-107.3 128.6 46.9 -21.1 25.7 5 5 A G - 0 0 27 219,-2.1 2,-0.3 -2,-0.5 217,-0.2 0.236 52.8-148.4 106.5 140.2 50.4 -20.0 26.6 6 6 A I - 0 0 24 215,-1.6 218,-0.1 219,-0.1 217,-0.0 -0.860 35.9 -84.3-129.4 167.0 53.5 -18.4 25.0 7 7 A S > - 0 0 70 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.292 33.6-121.1 -66.6 150.1 57.2 -18.7 25.6 8 8 A E H > S+ 0 0 147 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.869 114.4 56.3 -55.0 -39.5 58.8 -16.6 28.3 9 9 A D H > S+ 0 0 137 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 110.8 42.2 -62.8 -46.0 61.1 -15.1 25.6 10 10 A L H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 113.9 52.8 -65.6 -46.1 58.1 -14.0 23.5 11 11 A Y H X S+ 0 0 33 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.941 108.4 49.4 -53.5 -49.6 56.2 -12.8 26.6 12 12 A N H X S+ 0 0 71 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.852 109.6 53.0 -61.4 -34.2 59.2 -10.6 27.7 13 13 A R H X S+ 0 0 26 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 108.7 48.5 -64.1 -43.5 59.4 -9.2 24.2 14 14 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.899 112.2 49.9 -63.2 -40.7 55.7 -8.2 24.2 15 15 A V H X S+ 0 0 33 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.907 108.6 52.5 -64.8 -41.8 56.2 -6.6 27.6 16 16 A E H X S+ 0 0 90 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.927 113.0 43.1 -60.6 -44.4 59.2 -4.7 26.4 17 17 A M H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.871 111.4 54.4 -73.5 -32.1 57.3 -3.3 23.5 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.881 107.3 53.2 -62.6 -37.8 54.2 -2.5 25.6 19 19 A T H X S+ 0 0 18 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.953 110.3 45.2 -65.1 -46.8 56.5 -0.6 28.0 20 20 A I H X S+ 0 0 2 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.930 114.5 49.9 -60.7 -43.2 57.9 1.6 25.1 21 21 A S H < S+ 0 0 0 -4,-2.4 111,-0.3 1,-0.2 46,-0.3 0.904 113.7 43.9 -64.8 -42.9 54.4 2.1 23.8 22 22 A Q H >< S+ 0 0 1 -4,-2.8 234,-2.2 1,-0.2 3,-0.9 0.816 111.5 54.4 -74.5 -28.6 53.0 3.1 27.2 23 23 A A H ><>S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.2 5,-1.9 0.717 88.9 78.6 -74.9 -20.8 56.0 5.4 27.9 24 24 A A G ><5S+ 0 0 1 -4,-1.3 3,-0.6 1,-0.3 -1,-0.2 0.724 84.0 63.9 -59.8 -20.3 55.4 7.2 24.6 25 25 A Y G < 5S+ 0 0 52 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.584 109.5 39.1 -75.9 -9.0 52.6 9.1 26.4 26 26 A A G X 5S- 0 0 31 -3,-2.3 3,-0.8 3,-0.1 -1,-0.2 -0.326 128.9 -80.6-141.7 50.8 55.2 10.7 28.7 27 27 A D T < 5S- 0 0 103 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.808 87.8 -62.1 55.9 37.1 58.3 11.5 26.6 28 28 A L T > - 0 0 59 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.104 35.9-125.7 -52.5 146.1 65.4 0.5 29.2 33 33 A S T 3 S+ 0 0 120 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.676 105.5 72.4 -62.9 -22.0 69.0 1.9 29.3 34 34 A T T 3 S+ 0 0 58 21,-0.1 22,-0.7 2,-0.0 2,-0.4 0.540 83.0 88.3 -72.0 -7.0 69.8 -0.2 26.3 35 35 A I E < -B 55 0A 18 -3,-1.7 2,-0.6 20,-0.2 20,-0.2 -0.804 65.4-152.1 -98.7 132.1 67.7 2.1 24.1 36 36 A I E -B 54 0A 88 18,-3.1 18,-2.0 -2,-0.4 2,-0.6 -0.917 20.2-134.9 -97.8 124.2 69.2 5.2 22.5 37 37 A K E -B 53 0A 112 -2,-0.6 16,-0.2 16,-0.2 3,-0.1 -0.708 29.4-178.0 -85.8 118.5 66.5 7.9 22.0 38 38 A G E - 0 0 35 14,-2.1 15,-0.1 -2,-0.6 -1,-0.1 -0.018 39.2 -23.7 -95.6-156.1 66.6 9.5 18.5 39 39 A E E - 0 0 105 1,-0.1 13,-1.7 12,-0.1 2,-0.5 -0.204 61.8-117.0 -59.9 139.8 64.7 12.2 16.7 40 40 A K E -B 51 0A 65 11,-0.2 2,-0.4 -3,-0.1 11,-0.3 -0.694 21.4-142.3 -76.3 125.0 61.2 13.1 17.8 41 41 A I E +B 50 0A 1 9,-2.3 9,-2.2 -2,-0.5 2,-0.3 -0.760 38.6 157.7 -86.3 127.7 58.6 12.4 15.1 42 42 A Y E -B 49 0A 111 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.958 33.3-178.8-158.5 138.5 56.0 15.2 15.2 43 43 A N E >> -B 48 0A 47 5,-1.5 4,-1.2 -2,-0.3 5,-0.9 -0.977 16.4-155.7-134.2 128.5 53.4 17.1 13.3 44 44 A A T 45S+ 0 0 66 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.862 90.0 56.2 -72.0 -34.4 51.6 20.0 15.0 45 45 A Q T 45S+ 0 0 173 1,-0.2 -1,-0.2 61,-0.1 61,-0.0 0.898 122.7 25.4 -67.2 -40.3 48.5 20.0 12.9 46 46 A T T 45S- 0 0 9 2,-0.1 -1,-0.2 57,-0.1 -2,-0.2 0.538 98.5-134.7 -96.0 -10.0 47.7 16.3 13.6 47 47 A D T <5 + 0 0 27 -4,-1.2 2,-0.5 1,-0.2 22,-0.2 0.828 42.5 166.8 53.7 33.4 49.5 16.3 17.0 48 48 A I E < -B 43 0A 2 -5,-0.9 -5,-1.5 55,-0.1 2,-0.4 -0.725 13.1-171.8 -74.5 124.5 51.1 12.9 16.0 49 49 A N E +B 42 0A 13 -2,-0.5 17,-2.9 17,-0.3 2,-0.3 -0.972 19.9 125.4-117.5 138.0 54.0 12.2 18.4 50 50 A G E -BC 41 65A 0 -9,-2.2 -9,-2.3 -2,-0.4 2,-0.3 -0.931 35.1-132.4-167.5-174.4 56.6 9.4 18.2 51 51 A W E -BC 40 64A 13 13,-2.0 13,-2.4 -11,-0.3 2,-0.4 -0.986 12.9-129.9-146.9 154.3 60.3 8.6 18.1 52 52 A I E + C 0 63A 10 -13,-1.7 -14,-2.1 -2,-0.3 2,-0.3 -0.908 37.9 178.0-100.3 138.2 62.9 6.7 16.3 53 53 A L E -BC 37 62A 0 9,-2.7 9,-1.9 -2,-0.4 2,-0.4 -0.888 19.0-146.8-133.7 161.3 65.1 4.6 18.7 54 54 A R E -BC 36 61A 34 -18,-2.0 -18,-3.1 -2,-0.3 2,-0.6 -0.995 4.7-166.3-136.7 136.0 67.9 2.2 18.5 55 55 A D E >> -BC 35 60A 14 5,-2.8 5,-1.8 -2,-0.4 4,-0.9 -0.957 2.0-174.4-116.6 107.7 68.8 -0.8 20.6 56 56 A D T 45S+ 0 0 62 -22,-0.7 -1,-0.1 -2,-0.6 -21,-0.1 0.612 83.9 57.9 -78.3 -14.3 72.3 -2.0 19.9 57 57 A T T 45S+ 0 0 112 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.901 118.0 29.1 -79.0 -45.3 71.9 -5.0 22.3 58 58 A S T 45S- 0 0 49 -24,-0.2 68,-0.2 2,-0.1 -2,-0.2 0.470 107.2-126.1 -90.2 -4.9 68.8 -6.5 20.4 59 59 A K T <5 + 0 0 130 -4,-0.9 67,-2.3 1,-0.2 2,-0.3 0.964 61.7 133.1 58.5 57.0 70.0 -5.0 17.0 60 60 A E E < -Cd 55 126A 1 -5,-1.8 -5,-2.8 65,-0.3 2,-0.6 -0.999 53.7-146.1-137.9 145.0 66.8 -3.1 16.2 61 61 A I E -Cd 54 127A 1 65,-2.8 67,-2.6 -2,-0.3 2,-0.5 -0.962 31.4-158.6-101.4 117.7 65.8 0.3 15.0 62 62 A I E -Cd 53 128A 0 -9,-1.9 -9,-2.7 -2,-0.6 2,-0.5 -0.873 14.9-166.2-108.9 128.3 62.4 1.0 16.7 63 63 A T E -Cd 52 129A 4 65,-2.6 67,-2.4 -2,-0.5 2,-0.4 -0.973 16.8-175.3-109.0 121.4 59.8 3.5 15.6 64 64 A V E -Cd 51 130A 0 -13,-2.4 -13,-2.0 -2,-0.5 2,-0.4 -0.959 10.2-158.8-120.6 139.6 57.2 4.1 18.2 65 65 A F E -Cd 50 131A 0 65,-1.8 67,-0.7 -2,-0.4 -15,-0.3 -0.953 16.6-129.0-116.1 137.3 54.0 6.2 18.1 66 66 A R - 0 0 31 -17,-2.9 -17,-0.3 -2,-0.4 3,-0.1 -0.579 22.4-135.3 -72.3 139.5 52.1 7.7 20.9 67 67 A G - 0 0 0 -46,-0.3 2,-0.2 -2,-0.3 -18,-0.2 0.080 58.8 -30.9 -75.0-161.9 48.4 7.1 21.1 68 68 A T + 0 0 39 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.361 62.2 149.8 -69.1 124.6 45.8 9.8 21.8 69 69 A G + 0 0 49 -22,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.061 64.5 36.0-133.6 22.8 47.0 12.6 24.1 70 70 A S S > S- 0 0 32 1,-0.1 4,-2.1 -23,-0.0 -1,-0.1 -0.980 81.9-108.1-165.9 158.3 44.9 15.5 22.9 71 71 A D H > S+ 0 0 126 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.873 119.1 61.7 -63.5 -32.5 41.5 16.4 21.5 72 72 A T H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.943 106.6 44.9 -56.2 -46.5 43.3 16.8 18.1 73 73 A N H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.889 108.0 58.3 -62.7 -40.0 44.2 13.1 18.3 74 74 A L H X S+ 0 0 81 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.864 99.5 57.9 -59.4 -35.4 40.7 12.2 19.4 75 75 A Q H < S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.0 44.6 -63.2 -35.6 39.4 13.8 16.2 76 76 A L H >< S+ 0 0 14 -4,-1.1 3,-1.7 -3,-0.3 23,-0.3 0.942 109.3 55.1 -69.8 -46.5 41.6 11.3 14.3 77 77 A D H 3< S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.814 110.3 47.2 -54.5 -34.7 40.6 8.3 16.4 78 78 A T T 3< S+ 0 0 92 -4,-1.8 2,-0.9 -5,-0.2 -1,-0.3 0.276 82.4 100.5-101.5 10.0 36.9 8.9 15.8 79 79 A N < + 0 0 50 -3,-1.7 20,-1.7 1,-0.1 21,-0.3 -0.832 42.6 173.7 -94.0 100.2 37.0 9.4 12.0 80 80 A Y + 0 0 70 -2,-0.9 2,-0.3 18,-0.2 -1,-0.1 0.293 29.8 130.1 -92.1 9.7 35.8 6.0 10.7 81 81 A T - 0 0 96 16,-0.1 17,-1.2 1,-0.1 2,-0.2 -0.476 57.5-131.8 -66.6 120.7 35.7 7.0 7.0 82 82 A L E -I 97 0B 44 -2,-0.3 15,-0.2 15,-0.2 -1,-0.1 -0.568 29.9-176.4 -72.4 140.1 37.6 4.3 5.0 83 83 A T E -I 96 0B 46 13,-2.2 13,-2.9 -2,-0.2 18,-0.0 -0.991 32.8 -93.1-139.3 144.1 40.1 5.8 2.5 84 84 A P E -I 95 0B 53 0, 0.0 2,-2.1 0, 0.0 11,-0.3 -0.306 34.2-124.1 -54.7 139.8 42.4 4.3 -0.2 85 85 A F > + 0 0 4 9,-2.1 3,-1.7 6,-0.2 6,-0.3 -0.522 44.7 168.3 -85.2 73.8 45.9 3.7 1.1 86 86 A D T 3 + 0 0 112 -2,-2.1 -1,-0.2 1,-0.3 4,-0.0 0.611 63.5 67.0 -76.3 -16.0 47.3 5.8 -1.7 87 87 A T T 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.719 111.4 37.4 -68.2 -21.4 50.9 6.1 -0.3 88 88 A L X + 0 0 1 -3,-1.7 3,-2.1 3,-0.1 -1,-0.3 -0.657 69.6 166.9-130.5 69.6 51.2 2.3 -1.0 89 89 A P T 3 + 0 0 93 0, 0.0 4,-0.2 0, 0.0 5,-0.1 0.692 69.9 73.4 -66.2 -19.4 49.3 1.8 -4.3 90 90 A Q T 3 S+ 0 0 113 1,-0.1 2,-1.2 -3,-0.1 -4,-0.1 0.590 75.7 89.1 -65.8 -10.1 50.8 -1.7 -4.7 91 91 A b S X S- 0 0 6 -3,-2.1 3,-1.5 -6,-0.3 2,-0.3 -0.764 87.4-140.4 -85.8 92.1 48.4 -2.6 -1.9 92 92 A N T 3 S- 0 0 141 -2,-1.2 3,-0.1 1,-0.3 -2,-0.1 -0.442 71.7 -11.5 -70.2 120.4 45.5 -3.4 -4.2 93 93 A D T 3 S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.2 74,-0.3 0.592 94.4 155.8 68.4 13.4 42.0 -2.3 -3.1 94 94 A b < - 0 0 6 -3,-1.5 -9,-2.1 73,-0.2 2,-0.4 -0.552 18.6-178.4 -73.6 132.0 43.5 -1.5 0.4 95 95 A E E -I 84 0B 58 -2,-0.3 70,-2.5 -11,-0.3 73,-0.3 -0.966 5.1-163.1-129.6 147.9 41.6 1.0 2.4 96 96 A V E -IJ 83 164B 0 -13,-2.9 -13,-2.2 -2,-0.4 68,-0.3 -0.855 37.7 -72.2-128.0 161.6 42.5 2.3 5.9 97 97 A H E > -I 82 0B 0 66,-2.7 4,-2.2 -2,-0.3 -15,-0.2 -0.289 45.3-136.4 -49.5 128.1 40.9 4.2 8.8 98 98 A G H > S+ 0 0 6 -17,-1.2 4,-1.7 -19,-0.2 -18,-0.2 0.819 97.8 47.9 -70.3 -34.6 40.5 7.8 7.6 99 99 A G H > S+ 0 0 0 -20,-1.7 4,-2.1 -23,-0.3 -1,-0.2 0.926 113.3 47.2 -67.7 -45.9 41.7 9.5 10.8 100 100 A Y H > S+ 0 0 6 -21,-0.3 4,-2.9 -24,-0.3 -2,-0.2 0.871 108.9 56.2 -67.6 -31.0 44.8 7.4 11.1 101 101 A Y H X S+ 0 0 27 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.933 105.3 51.2 -64.3 -43.3 45.6 7.9 7.4 102 102 A I H X S+ 0 0 74 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.920 112.5 47.4 -56.5 -45.0 45.5 11.7 8.0 103 103 A G H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 3,-0.3 0.946 112.0 49.4 -60.9 -49.0 47.9 11.2 10.9 104 104 A W H >X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 3,-1.4 0.948 108.2 51.6 -57.1 -50.2 50.2 8.9 8.8 105 105 A I H 3< S+ 0 0 81 -4,-3.0 4,-0.4 1,-0.3 -1,-0.2 0.827 104.5 59.4 -61.8 -24.8 50.4 11.2 5.8 106 106 A S H 3< S+ 0 0 34 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.734 119.6 25.6 -74.5 -23.3 51.4 14.1 8.1 107 107 A V H S+ 0 0 123 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.917 114.8 43.9 -64.1 -43.3 58.2 11.9 5.0 110 110 A Q H > S+ 0 0 52 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 114.9 49.7 -63.0 -47.8 59.9 12.4 8.4 111 111 A V H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.954 113.2 45.6 -56.8 -51.2 59.4 8.8 9.4 112 112 A E H X S+ 0 0 60 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.895 112.8 50.6 -63.7 -39.2 60.8 7.4 6.0 113 113 A S H X S+ 0 0 78 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.894 112.6 46.1 -62.8 -43.2 63.8 9.8 6.1 114 114 A L H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.925 114.2 47.2 -68.5 -44.6 64.8 8.8 9.6 115 115 A V H X S+ 0 0 2 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.933 111.4 51.7 -65.1 -41.9 64.4 5.1 9.0 116 116 A K H X S+ 0 0 143 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.931 111.4 47.2 -60.8 -44.2 66.3 5.3 5.7 117 117 A Q H X S+ 0 0 106 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.929 116.9 42.5 -63.0 -48.0 69.2 7.2 7.5 118 118 A 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