==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-98 1WQR . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YAMAGATA,M.KUBOTA,Y.SUMIKAWA,J.FUNAHASHI,S.FUJII,K.YUTANI . 130 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 80 0, 0.0 39,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 138.0 1.5 20.4 22.0 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.941 360.0-145.6-108.0 107.6 4.1 19.5 19.3 3 3 A F - 0 0 11 35,-2.4 2,-0.3 -2,-0.7 3,-0.0 -0.375 9.9-124.4 -70.5 152.4 6.9 22.1 19.5 4 4 A E > - 0 0 148 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.691 35.4-106.4 -90.6 152.7 8.8 23.3 16.4 5 5 A R H > S+ 0 0 91 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.914 114.7 36.1 -45.7 -65.1 12.6 22.8 16.8 6 6 A a H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 112.7 59.8 -64.4 -31.6 13.8 26.3 17.3 7 7 A E H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.955 109.8 43.7 -59.7 -47.8 10.7 27.3 19.4 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.905 110.3 55.7 -63.1 -43.2 11.6 24.6 21.8 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.940 110.0 45.4 -55.8 -48.9 15.3 25.5 21.8 10 10 A R H X S+ 0 0 117 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.890 112.4 52.0 -63.7 -37.6 14.5 29.1 22.8 11 11 A T H X S+ 0 0 23 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.929 109.1 48.3 -64.6 -47.9 12.1 28.0 25.5 12 12 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 6,-0.3 0.894 109.4 53.7 -61.3 -39.8 14.6 25.6 27.1 13 13 A K H ><5S+ 0 0 92 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.929 108.4 49.5 -61.6 -42.5 17.2 28.3 27.1 14 14 A R H 3<5S+ 0 0 186 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 107.2 55.1 -65.0 -32.0 14.9 30.7 28.9 15 15 A L T 3<5S- 0 0 56 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.341 122.6-107.0 -82.4 3.5 14.0 28.0 31.5 16 16 A G T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.742 77.2 133.1 79.3 30.6 17.8 27.7 32.2 17 17 A M > < + 0 0 0 -5,-2.3 3,-1.7 2,-0.1 2,-0.6 0.704 35.5 106.3 -85.8 -19.9 18.6 24.4 30.6 18 18 A D T 3 S- 0 0 77 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.470 103.5 -7.6 -67.1 109.8 21.7 25.4 28.8 19 19 A G T > S+ 0 0 41 4,-1.9 3,-2.5 -2,-0.6 -1,-0.3 0.514 86.8 166.9 83.8 6.2 24.6 23.9 30.7 20 20 A Y B X S-B 23 0B 56 -3,-1.7 3,-1.7 3,-0.7 -1,-0.3 -0.369 80.1 -12.0 -58.8 119.0 22.4 22.7 33.6 21 21 A R T 3 S- 0 0 157 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.868 134.7 -53.9 54.3 36.1 24.6 20.3 35.5 22 22 A G T < S+ 0 0 73 -3,-2.5 2,-0.7 1,-0.2 -1,-0.3 0.556 106.0 132.0 79.2 9.7 27.1 20.4 32.6 23 23 A I B < -B 20 0B 13 -3,-1.7 -4,-1.9 -6,-0.1 -3,-0.7 -0.853 50.5-137.0-100.7 114.8 24.5 19.5 30.0 24 24 A S >> - 0 0 48 -2,-0.7 4,-1.3 -5,-0.2 3,-1.0 -0.216 21.9-112.7 -65.6 156.6 24.5 21.7 26.9 25 25 A L H 3> S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.898 115.8 60.2 -56.5 -42.6 21.3 22.9 25.3 26 26 A A H 3> S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.803 102.2 53.9 -58.6 -28.8 21.9 20.8 22.2 27 27 A N H <> S+ 0 0 32 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.871 108.1 48.3 -73.5 -37.9 21.9 17.6 24.3 28 28 A W H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 -2,-0.2 0.881 112.0 50.5 -67.2 -39.6 18.5 18.4 25.8 29 29 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.927 110.0 48.9 -64.5 -43.6 17.2 19.0 22.3 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.940 112.3 50.5 -61.3 -43.9 18.6 15.7 21.1 31 31 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.925 111.7 45.0 -59.8 -51.0 16.9 14.0 24.1 32 32 A A H X>S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 6,-1.4 0.880 111.2 55.5 -61.0 -40.0 13.5 15.6 23.6 33 33 A K H X5S+ 0 0 70 -4,-2.3 4,-1.0 4,-0.2 -2,-0.2 0.939 115.7 35.0 -57.5 -53.2 13.6 14.8 19.9 34 34 A W H <5S+ 0 0 94 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.763 119.0 50.9 -75.9 -30.4 14.3 11.0 20.3 35 35 A E H <5S- 0 0 42 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.934 138.0 -10.5 -74.1 -46.5 12.1 10.6 23.4 36 36 A S H <5S- 0 0 21 -4,-2.4 3,-0.3 20,-0.4 -3,-0.2 0.476 83.7-110.6-133.1 -6.2 8.9 12.3 22.2 37 37 A G S < -A 2 0A 44 -3,-0.3 3,-1.1 -7,-0.3 -37,-0.2 -0.858 38.6-163.5-104.6 114.7 5.5 16.2 21.8 40 40 A T T 3 S+ 0 0 2 -39,-2.7 16,-0.3 -2,-0.6 -1,-0.1 0.677 87.0 53.0 -69.4 -20.9 4.3 17.1 25.3 41 41 A R T 3 S+ 0 0 185 -40,-0.3 -1,-0.2 14,-0.2 2,-0.2 0.337 76.2 131.2 -99.6 10.2 1.4 14.7 25.5 42 42 A A < - 0 0 20 -3,-1.1 13,-2.1 12,-0.1 2,-0.4 -0.409 32.2-178.7 -65.5 130.2 3.4 11.6 24.6 43 43 A T E -C 54 0C 75 11,-0.2 2,-0.4 -2,-0.2 11,-0.2 -0.972 9.0-169.5-130.4 143.1 2.8 8.6 26.9 44 44 A N E -C 53 0C 91 9,-2.0 9,-2.4 -2,-0.4 2,-0.4 -0.894 9.6-152.6-140.3 111.4 4.4 5.2 26.8 45 45 A Y E -C 52 0C 125 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.632 7.5-150.1 -81.8 132.9 3.3 2.2 28.9 46 46 A N E >>> -C 51 0C 45 5,-3.0 4,-1.5 -2,-0.4 3,-1.1 -0.857 8.6-170.1-106.2 95.0 5.9 -0.3 29.7 47 47 A A T 345S+ 0 0 77 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.845 79.5 66.7 -51.5 -36.3 4.1 -3.6 29.9 48 48 A G T 345S+ 0 0 86 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.771 121.0 11.4 -58.9 -35.6 7.2 -5.3 31.3 49 49 A D T <45S- 0 0 67 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.301 98.4-116.4-129.1 6.8 7.3 -3.4 34.6 50 50 A R T <5S+ 0 0 160 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.618 73.3 123.7 66.7 18.8 3.9 -1.6 34.8 51 51 A S E < -C 46 0C 0 -5,-0.7 -5,-3.0 19,-0.1 2,-0.3 -0.636 48.7-143.8-102.8 166.1 5.4 1.9 34.7 52 52 A T E -C 45 0C 8 -7,-0.2 9,-2.5 -2,-0.2 2,-0.4 -0.969 7.0-136.2-132.9 143.2 4.6 4.7 32.2 53 53 A D E -CD 44 60C 29 -9,-2.4 -9,-2.0 -2,-0.3 2,-0.4 -0.874 27.7-153.3 -98.7 131.5 6.8 7.4 30.6 54 54 A Y E > -CD 43 59C 25 5,-2.6 5,-2.1 -2,-0.4 3,-0.4 -0.911 31.7 -31.1-119.1 135.1 5.2 10.8 30.4 55 55 A G T > 5S- 0 0 0 -13,-2.1 3,-1.3 -2,-0.4 -14,-0.2 -0.050 98.5 -21.6 74.5-164.5 5.6 13.9 28.3 56 56 A I T 3 5S+ 0 0 2 28,-0.3 -20,-0.4 -16,-0.3 -18,-0.3 0.792 140.1 35.0 -56.9 -35.9 8.3 15.6 26.2 57 57 A F T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.1 -2,-0.2 0.354 105.5-125.2-101.7 6.2 11.2 14.0 28.2 58 58 A Q T < 5 - 0 0 13 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.953 35.7-166.0 47.1 60.9 9.4 10.7 28.7 59 59 A I E < -D 54 0C 3 -5,-2.1 -5,-2.6 25,-0.1 2,-0.3 -0.639 16.7-119.5 -81.9 131.8 9.9 10.7 32.5 60 60 A N E >>> -D 53 0C 27 -2,-0.4 4,-2.1 -7,-0.2 3,-0.9 -0.545 4.8-144.4 -81.3 132.1 9.2 7.4 34.2 61 61 A S T 345S+ 0 0 0 -9,-2.5 6,-0.3 -2,-0.3 7,-0.1 0.606 89.8 75.7 -67.1 -14.4 6.5 7.0 36.9 62 62 A R T 345S+ 0 0 48 -10,-0.2 12,-3.0 11,-0.2 -1,-0.2 0.873 119.2 2.4 -68.5 -34.7 8.5 4.5 38.9 63 63 A F T <45S+ 0 0 103 -3,-0.9 13,-2.9 10,-0.2 -2,-0.2 0.718 131.4 41.6-122.9 -30.2 10.8 7.1 40.4 64 64 A W T <5S+ 0 0 31 -4,-2.1 13,-1.9 11,-0.3 15,-0.4 0.799 109.2 19.0 -98.7 -34.1 9.9 10.7 39.3 65 65 A c S S- 0 0 14 -9,-0.1 3,-0.8 -18,-0.0 -2,-0.1 -0.818 74.6-124.5 -93.5 121.1 2.9 2.0 39.3 71 71 A P T 3 S- 0 0 69 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.293 83.6 -2.1 -63.8 142.6 3.9 -0.7 41.9 72 72 A G T 3 S+ 0 0 80 1,-0.2 2,-0.2 -2,-0.0 -10,-0.0 0.837 96.5 152.4 43.4 48.0 6.7 0.3 44.4 73 73 A A < - 0 0 36 -3,-0.8 2,-0.2 -5,-0.1 -10,-0.2 -0.666 32.8-152.9-106.5 158.0 7.2 3.7 42.9 74 74 A V - 0 0 91 -12,-3.0 -9,-0.3 -2,-0.2 2,-0.2 -0.717 13.7-137.2-120.8 173.5 8.4 6.9 44.3 75 75 A N > + 0 0 47 -2,-0.2 3,-1.2 -11,-0.1 -11,-0.3 -0.611 30.0 164.0-133.1 70.3 7.8 10.5 43.4 76 76 A A T 3 S+ 0 0 24 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.777 80.0 51.0 -63.3 -27.6 11.1 12.3 43.5 77 77 A d T 3 S- 0 0 19 -13,-1.9 -1,-0.3 -14,-0.2 -12,-0.1 0.611 104.3-133.5 -84.2 -10.6 9.9 15.2 41.5 78 78 A H < + 0 0 158 -3,-1.2 2,-0.3 -14,-0.3 -13,-0.1 0.939 62.5 124.0 57.9 51.5 6.9 15.5 43.8 79 79 A L - 0 0 37 -15,-0.4 -13,-2.8 16,-0.0 2,-0.3 -0.962 69.0-115.6-140.3 150.4 4.5 15.8 40.9 80 80 A S B > -e 66 0D 71 -2,-0.3 3,-1.4 -15,-0.2 4,-0.4 -0.676 35.2-123.4 -78.2 143.0 1.4 14.1 39.6 81 81 A c G > S+ 0 0 1 -15,-2.1 3,-1.3 -2,-0.3 -14,-0.1 0.736 109.0 75.2 -61.7 -19.0 2.4 12.6 36.2 82 82 A S G > S+ 0 0 82 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.865 84.5 64.3 -59.1 -34.8 -0.5 14.7 34.8 83 83 A A G X S+ 0 0 17 -3,-1.4 3,-0.9 1,-0.3 9,-0.3 0.759 94.4 59.3 -60.9 -27.5 1.7 17.7 35.2 84 84 A L G < S+ 0 0 3 -3,-1.3 -28,-0.3 -4,-0.4 -1,-0.3 0.198 97.2 62.0 -87.3 11.3 4.1 16.3 32.6 85 85 A L G < S+ 0 0 58 -3,-2.0 -1,-0.2 -30,-0.1 -2,-0.2 0.253 79.3 111.8-115.7 5.7 1.4 16.2 30.0 86 86 A Q S < S- 0 0 85 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.365 73.3-127.2 -77.7 160.0 0.7 20.0 29.9 87 87 A D S S+ 0 0 98 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.819 99.3 76.6 -73.1 -33.5 1.5 22.2 26.9 88 88 A N S S- 0 0 109 1,-0.1 3,-0.5 -48,-0.0 4,-0.3 -0.751 72.0-162.7 -78.4 116.1 3.4 24.5 29.4 89 89 A I > + 0 0 8 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.366 58.2 106.9 -86.0 7.8 6.7 22.6 30.0 90 90 A A H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 84.7 43.4 -51.1 -48.4 7.8 24.4 33.2 91 91 A D H > S+ 0 0 58 -3,-0.5 4,-2.2 -8,-0.2 -1,-0.2 0.903 113.0 51.9 -66.2 -42.2 7.0 21.4 35.4 92 92 A A H > S+ 0 0 7 -9,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.876 111.4 48.4 -60.8 -39.5 8.6 18.9 33.0 93 93 A V H X S+ 0 0 4 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.904 109.3 51.4 -68.5 -42.3 11.7 21.0 32.9 94 94 A A H X S+ 0 0 53 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.898 113.1 46.4 -61.7 -40.0 11.9 21.3 36.7 95 95 A d H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.888 109.1 53.0 -70.3 -37.8 11.6 17.5 37.0 96 96 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.884 107.0 53.7 -63.2 -38.9 14.2 16.8 34.3 97 97 A K H < S+ 0 0 44 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.891 108.5 50.3 -62.4 -37.8 16.5 19.1 36.2 98 98 A R H >< S+ 0 0 66 -4,-1.4 3,-1.3 1,-0.2 4,-0.4 0.938 106.9 54.4 -65.7 -45.1 15.8 16.9 39.3 99 99 A V H >< S+ 0 0 3 -4,-2.6 3,-1.6 1,-0.3 6,-0.3 0.924 108.3 47.6 -54.6 -49.9 16.5 13.7 37.3 100 100 A V T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.503 93.0 77.0 -73.8 -3.7 20.0 14.8 36.2 101 101 A R T < S+ 0 0 116 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.627 80.8 88.1 -77.3 -14.8 20.9 15.9 39.7 102 102 A D S X S- 0 0 62 -3,-1.6 3,-1.7 -4,-0.4 6,-0.1 -0.495 101.2 -99.8 -77.1 158.3 21.4 12.1 40.3 103 103 A P T 3 S+ 0 0 136 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.747 118.8 59.8 -52.2 -31.4 24.9 10.7 39.6 104 104 A Q T > S- 0 0 114 1,-0.2 3,-1.5 -5,-0.2 -4,-0.1 0.788 83.8-178.1 -67.6 -29.6 24.0 9.2 36.2 105 105 A G G X - 0 0 16 -3,-1.7 3,-1.7 -6,-0.3 -1,-0.2 -0.391 66.0 -7.0 69.1-137.7 23.1 12.7 34.9 106 106 A I G > S+ 0 0 14 1,-0.3 3,-1.7 -6,-0.2 -1,-0.3 0.763 124.9 77.3 -62.5 -24.3 21.8 12.8 31.3 107 107 A R G < + 0 0 117 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.599 67.3 88.9 -64.7 -9.9 22.7 9.1 31.1 108 108 A A G < S+ 0 0 36 -3,-1.7 2,-0.7 -6,-0.1 -1,-0.3 0.784 79.8 67.7 -58.4 -27.7 19.6 8.2 33.0 109 109 A W S X> S- 0 0 18 -3,-1.7 3,-1.2 1,-0.2 4,-1.1 -0.855 72.9-158.0 -97.1 114.0 17.8 8.1 29.6 110 110 A V H 3> S+ 0 0 77 -2,-0.7 4,-1.9 1,-0.3 3,-0.3 0.869 90.9 64.4 -59.5 -34.4 19.0 5.1 27.6 111 111 A A H 3> S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.830 96.5 57.7 -57.7 -33.5 17.8 6.8 24.4 112 112 A W H <>>S+ 0 0 17 -3,-1.2 5,-2.4 -6,-0.2 4,-2.4 0.930 106.3 48.8 -63.6 -42.2 20.4 9.6 25.0 113 113 A R H <5S+ 0 0 99 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.888 115.8 43.9 -62.1 -41.1 23.2 7.0 25.0 114 114 A N H <5S+ 0 0 92 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.870 130.2 18.2 -72.0 -45.7 22.0 5.4 21.8 115 115 A R H <5S+ 0 0 112 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.546 132.5 27.0-109.9 -8.1 21.2 8.5 19.7 116 116 A b T ><5S+ 0 0 2 -4,-2.4 3,-1.7 -5,-0.3 -3,-0.2 0.708 83.6 101.8-122.6 -40.8 23.0 11.5 21.3 117 117 A Q T 3 + 0 0 18 -2,-1.2 3,-1.3 1,-0.2 4,-0.4 0.356 45.7 103.2 -95.0 6.4 24.4 17.3 18.1 122 122 A R G >> + 0 0 170 1,-0.2 3,-1.8 2,-0.2 4,-1.1 0.833 68.1 72.4 -54.8 -34.8 25.0 20.9 16.9 123 123 A Q G 34 S+ 0 0 125 -3,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.821 85.4 64.2 -50.9 -38.1 22.3 20.2 14.3 124 124 A Y G <4 S+ 0 0 21 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.755 115.2 28.6 -61.5 -26.0 19.5 20.3 16.9 125 125 A V T X4 S+ 0 0 23 -3,-1.8 3,-1.7 -4,-0.4 5,-0.4 0.443 85.5 128.4-115.9 -1.9 20.2 24.0 17.7 126 126 A Q T 3< S+ 0 0 112 -4,-1.1 -120,-0.1 -3,-0.4 -3,-0.0 -0.345 80.8 6.0 -62.9 132.1 21.6 25.4 14.5 127 127 A G T 3 S+ 0 0 81 3,-0.1 -1,-0.2 -2,-0.1 -121,-0.1 0.453 96.9 108.0 78.1 5.9 19.8 28.6 13.3 128 128 A a S < S- 0 0 3 -3,-1.7 -2,-0.1 2,-0.1 -118,-0.1 0.530 83.6-121.9 -90.9 -8.7 17.6 29.0 16.4 129 129 A G 0 0 80 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.784 360.0 360.0 73.4 32.9 19.4 32.0 17.8 130 130 A V 0 0 69 -5,-0.4 -1,-0.2 -117,-0.0 -3,-0.1 -0.610 360.0 360.0-119.3 360.0 20.4 30.4 21.2