==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-05 2BLX . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.H.NANAO,R.B.RAVELLI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.6 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 1 1 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 . 3 1 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 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 88 0, 0.0 39,-3.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 139.2 1.4 9.6 9.6 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.922 360.0-148.6-102.8 113.7 1.4 12.9 7.8 3 3 A F - 0 0 15 35,-2.7 2,-0.2 -2,-0.6 3,-0.0 -0.500 10.6-121.2 -76.5 148.0 -2.1 14.3 7.6 4 4 A G > - 0 0 35 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.504 33.5-109.0 -73.1 159.5 -3.6 16.4 5.0 5 5 A R H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.962 118.1 36.9 -58.2 -53.7 -4.9 19.7 6.1 6 6 A a H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 114.1 58.7 -71.5 -31.3 -8.7 18.9 5.8 7 7 A E H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 108.8 43.9 -60.0 -46.3 -8.1 15.4 6.9 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.906 110.7 55.8 -67.3 -41.5 -6.6 16.7 10.2 9 9 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.935 108.9 47.2 -52.4 -47.7 -9.4 19.2 10.5 10 10 A A H X S+ 0 0 44 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.897 112.5 48.9 -65.1 -41.6 -12.0 16.4 10.2 11 11 A A H X S+ 0 0 8 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.934 112.2 48.2 -65.3 -43.3 -10.2 14.3 12.8 12 12 A M H <>S+ 0 0 1 -4,-3.0 5,-2.6 2,-0.2 6,-0.5 0.908 112.6 49.2 -61.2 -42.0 -9.9 17.1 15.2 13 13 A K H ><5S+ 0 0 79 -4,-2.4 3,-2.1 -5,-0.2 -2,-0.2 0.932 107.9 52.8 -66.0 -43.7 -13.6 18.0 14.8 14 14 A R H 3<5S+ 0 0 180 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.873 108.3 51.7 -60.9 -32.1 -14.7 14.4 15.3 15 15 A H T 3<5S- 0 0 32 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.328 120.0-111.1 -85.1 4.5 -12.7 14.3 18.6 16 16 A G T < 5S+ 0 0 31 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.698 79.8 127.4 76.5 26.0 -14.4 17.6 19.8 17 17 A L > < + 0 0 0 -5,-2.6 3,-2.0 -6,-0.1 2,-0.2 0.714 41.6 104.1 -83.5 -26.0 -11.4 19.9 19.6 18 18 A D T 3 S- 0 0 42 -6,-0.5 6,-0.2 1,-0.3 3,-0.1 -0.446 100.4 -3.3 -62.6 122.8 -13.3 22.4 17.5 19 19 A N T > S+ 0 0 105 4,-1.6 3,-2.2 1,-0.2 -1,-0.3 0.544 91.0 160.3 70.0 9.2 -14.3 25.4 19.6 20 20 A Y B X S-B 23 0B 72 -3,-2.0 3,-1.8 3,-0.6 -1,-0.2 -0.449 75.6 -3.7 -66.0 124.7 -12.9 23.7 22.7 21 21 A R T 3 S- 0 0 160 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.748 135.3 -60.3 59.5 27.3 -12.2 26.3 25.3 22 22 A G T < S+ 0 0 68 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.515 104.3 131.8 83.8 5.4 -13.3 28.8 22.8 23 23 A Y B < -B 20 0B 46 -3,-1.8 -4,-1.6 -6,-0.2 -3,-0.6 -0.805 51.8-135.9 -99.1 110.8 -10.6 28.0 20.2 24 24 A S >> - 0 0 43 -2,-0.7 3,-1.5 -5,-0.3 4,-1.0 -0.151 27.3-100.4 -61.2 159.9 -12.1 27.5 16.7 25 25 A L H 3> S+ 0 0 11 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.829 119.5 61.0 -52.1 -43.3 -10.9 24.6 14.5 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.809 98.5 58.3 -59.3 -32.6 -8.6 26.7 12.5 27 27 A N H <> S+ 0 0 20 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.907 109.1 44.6 -58.0 -42.6 -6.6 27.6 15.6 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.5 -2,-0.2 0.863 113.9 48.2 -71.1 -41.8 -5.9 23.9 16.2 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 112.4 49.0 -64.2 -44.4 -5.1 23.1 12.6 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.914 110.5 52.0 -62.6 -43.0 -2.7 26.2 12.4 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.936 111.2 47.0 -56.5 -48.5 -1.1 25.0 15.7 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-1.3 0.883 108.0 56.0 -61.8 -38.3 -0.5 21.6 14.3 33 33 A K H X5S+ 0 0 62 -4,-2.4 4,-1.5 4,-0.2 -1,-0.2 0.943 116.0 35.9 -57.0 -51.6 0.9 23.0 11.0 34 34 A F H <5S+ 0 0 61 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.732 119.6 48.2 -83.4 -17.7 3.6 25.0 12.7 35 35 A E H <5S- 0 0 37 -4,-2.2 -2,-0.2 20,-0.2 -3,-0.2 0.878 138.6 -5.1 -81.3 -40.0 4.3 22.5 15.5 36 36 A S H ><5S- 0 0 13 -4,-2.5 3,-1.3 19,-0.4 -3,-0.2 0.390 83.2-115.5-135.8 -5.6 4.6 19.4 13.4 37 37 A N T 3< - 0 0 43 4,-3.0 3,-2.1 -2,-0.3 -1,-0.0 -0.591 27.5-105.5 -94.3 163.6 14.0 21.2 24.3 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.806 118.6 56.7 -52.7 -42.7 16.9 23.0 25.9 48 48 A D T 3 S- 0 0 94 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.452 122.5-101.6 -77.1 0.9 16.0 21.6 29.3 49 49 A G S < S+ 0 0 24 -3,-2.1 -2,-0.1 1,-0.4 -1,-0.1 0.240 86.0 120.5 91.4 -7.6 16.3 17.9 28.1 50 50 A S - 0 0 0 19,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.271 53.2-140.4 -72.7 170.0 12.5 17.4 27.8 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.7 -3,-0.1 2,-0.4 -0.983 2.2-134.7-136.8 147.5 11.1 16.5 24.4 52 52 A D E -CD 44 59C 21 -8,-2.8 -8,-1.8 -2,-0.3 2,-0.4 -0.867 26.3-158.6-104.3 140.5 7.9 17.5 22.5 53 53 A Y E > -CD 43 58C 22 5,-2.1 5,-2.0 -2,-0.4 3,-0.4 -0.960 32.0 -13.4-127.6 136.3 5.9 14.8 20.8 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.4 -2,-0.4 30,-0.2 -0.212 98.8 -30.2 85.7-170.6 3.3 14.4 18.0 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.753 141.5 34.6 -61.9 -24.5 1.1 16.6 15.9 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.245 105.9-123.3-118.2 16.8 0.8 19.2 18.7 57 57 A Q T < 5 - 0 0 11 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.901 33.4-164.0 47.3 56.1 4.3 18.8 20.2 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-2.1 -6,-0.1 2,-0.4 -0.485 17.1-122.1 -77.3 132.4 3.2 18.0 23.7 59 59 A N E >> -D 52 0C 40 -7,-0.2 4,-2.5 -2,-0.2 3,-1.4 -0.656 8.8-149.9 -90.8 132.1 6.1 18.4 26.2 60 60 A S T 34 S+ 0 0 0 -9,-2.7 6,-0.2 -2,-0.4 13,-0.1 0.573 89.1 81.8 -70.3 -9.9 7.4 15.6 28.4 61 61 A R T 34 S- 0 0 73 -10,-0.2 12,-2.3 11,-0.2 -1,-0.3 0.846 120.2 -4.0 -61.0 -37.0 8.4 18.1 31.0 62 62 A W T <4 S+ 0 0 108 -3,-1.4 13,-2.9 10,-0.2 -2,-0.2 0.646 131.7 44.2-122.6 -34.3 4.7 18.1 32.1 63 63 A W B < S+E 74 0D 22 -4,-2.5 13,-1.8 11,-0.3 2,-0.3 0.669 103.6 20.0-111.4 -20.9 2.4 16.0 30.1 64 64 A c - 0 0 0 9,-0.5 2,-0.6 -5,-0.3 -1,-0.1 -0.966 68.8-109.3-148.5 161.6 3.7 12.5 29.2 65 65 A N B +f 79 0E 80 13,-2.5 15,-2.4 -2,-0.3 16,-0.4 -0.881 34.6 160.3-101.0 121.3 6.3 10.0 30.3 66 66 A D - 0 0 33 -2,-0.6 -1,-0.1 13,-0.2 -6,-0.0 0.308 52.6-120.1-114.6 3.0 9.3 9.4 28.0 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.404 98.4 68.7 75.6 -1.2 11.7 7.8 30.6 68 68 A R + 0 0 114 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.129 64.8 90.4-141.9 24.8 14.3 10.4 30.1 69 69 A T > - 0 0 13 -9,-0.1 3,-1.9 3,-0.0 -2,-0.1 -0.760 69.5-149.3-120.7 78.3 13.1 13.7 31.5 70 70 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.195 77.9 12.6 -55.9 134.4 14.3 13.5 35.1 71 71 A G T 3 S+ 0 0 75 1,-0.2 2,-0.1 0, 0.0 -10,-0.0 0.540 99.2 131.7 80.8 5.8 12.0 15.3 37.6 72 72 A S < - 0 0 29 -3,-1.9 -1,-0.2 1,-0.1 2,-0.2 -0.286 50.2-122.4 -83.9 171.7 9.2 15.8 35.0 73 73 A R - 0 0 136 -12,-2.3 -9,-0.5 -13,-0.1 -1,-0.1 -0.661 3.2-149.8-104.7 175.0 5.5 15.1 35.4 74 74 A N B > +E 63 0D 53 -2,-0.2 3,-1.7 -11,-0.2 -11,-0.3 -0.553 29.4 160.4-139.5 63.8 3.1 12.9 33.4 75 75 A L T 3 S+ 0 0 67 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.722 74.9 50.2 -72.6 -22.4 -0.2 14.8 33.8 76 76 A d T 3 S- 0 0 26 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.474 104.7-131.7 -87.9 -1.8 -1.9 13.2 30.8 77 77 A N < + 0 0 135 -3,-1.7 -13,-0.1 1,-0.2 -2,-0.1 0.920 64.6 112.5 56.0 52.8 -0.9 9.8 32.2 78 78 A I S S- 0 0 33 -15,-0.3 -13,-2.5 16,-0.0 2,-0.2 -0.994 74.0-102.0-148.6 151.4 0.4 8.4 29.0 79 79 A P B > -f 65 0E 70 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.549 36.1-124.5 -66.7 141.6 3.7 7.3 27.4 80 80 A c G > S+ 0 0 1 -15,-2.4 3,-1.9 1,-0.3 -14,-0.1 0.843 108.7 69.5 -57.2 -30.6 4.9 10.0 25.1 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-1.9 1,-0.3 4,-0.3 0.783 85.7 68.5 -60.6 -26.1 5.1 7.5 22.3 82 82 A A G X S+ 0 0 33 -3,-1.8 3,-0.8 1,-0.3 9,-0.3 0.755 90.9 63.0 -61.4 -23.1 1.2 7.4 22.4 83 83 A L G < S+ 0 0 2 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.400 95.4 59.6 -81.6 0.9 1.4 10.8 21.0 84 84 A L G < S+ 0 0 42 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.446 78.9 118.7-105.4 -3.3 3.1 9.6 17.8 85 85 A S S < S- 0 0 54 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.167 75.5-120.5 -62.7 156.8 0.4 7.3 16.7 86 86 A S S S+ 0 0 74 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.773 103.0 75.9 -65.1 -24.3 -1.5 7.6 13.4 87 87 A D S S- 0 0 93 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.820 72.7-159.0 -88.1 121.0 -4.7 7.9 15.6 88 88 A I > + 0 0 8 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 0.400 60.8 108.1 -87.3 7.0 -4.7 11.4 17.2 89 89 A T H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 80.1 45.2 -51.0 -51.4 -7.0 10.5 20.1 90 90 A A H > S+ 0 0 25 -3,-0.5 4,-2.4 -8,-0.3 5,-0.2 0.919 113.6 49.9 -64.4 -40.0 -4.3 10.7 22.8 91 91 A S H > S+ 0 0 5 -9,-0.3 4,-2.7 -4,-0.3 -1,-0.2 0.915 113.5 46.6 -63.0 -43.6 -2.9 13.9 21.4 92 92 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.936 112.5 48.2 -65.7 -47.1 -6.3 15.5 21.3 93 93 A N H X S+ 0 0 87 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.899 115.0 45.5 -60.2 -43.1 -7.3 14.4 24.8 94 94 A d H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 3,-0.5 0.926 109.5 55.4 -67.7 -40.6 -4.0 15.6 26.2 95 95 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 -2,-0.2 0.871 101.8 58.4 -59.0 -37.0 -4.3 18.9 24.3 96 96 A K H X S+ 0 0 41 -4,-2.2 4,-0.5 1,-0.2 -1,-0.3 0.868 108.7 45.4 -58.7 -41.4 -7.7 19.4 25.9 97 97 A K H >< S+ 0 0 105 -4,-1.1 3,-0.9 -3,-0.5 -2,-0.2 0.931 112.6 50.2 -65.7 -50.4 -6.1 19.2 29.4 98 98 A I H >< S+ 0 0 9 -4,-2.5 3,-1.9 1,-0.2 5,-0.3 0.929 108.8 50.6 -55.4 -46.6 -3.2 21.5 28.4 99 99 A V H 3< S+ 0 0 4 -4,-2.7 5,-0.3 1,-0.3 3,-0.3 0.617 108.0 55.1 -70.1 -15.4 -5.5 24.2 27.0 100 100 A S T << S+ 0 0 38 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.293 80.9 93.9 -91.6 1.5 -7.5 24.1 30.2 101 101 A D S < S- 0 0 117 -3,-1.9 -1,-0.1 3,-0.2 -2,-0.1 0.593 108.5 -90.9 -78.6 -13.5 -4.3 24.8 32.4 102 102 A G S S+ 0 0 66 -3,-0.3 -3,-0.1 -4,-0.2 -2,-0.1 -0.006 114.9 69.2 133.4 -33.5 -4.9 28.6 32.5 103 103 A N S > S- 0 0 119 -5,-0.3 3,-1.7 1,-0.3 4,-0.1 0.279 81.3-152.6-100.5 6.1 -2.9 30.1 29.6 104 104 A G G > - 0 0 11 -5,-0.3 3,-1.5 1,-0.3 -1,-0.3 -0.203 67.7 -16.2 58.3-143.0 -5.1 28.7 26.9 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 7,-0.3 0.588 117.4 89.3 -77.5 -3.0 -3.4 28.1 23.5 106 106 A N G < + 0 0 56 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.702 69.0 80.2 -62.6 -16.1 -0.5 30.3 24.6 107 107 A A G < S+ 0 0 57 -3,-1.5 2,-0.9 1,-0.2 -1,-0.3 0.771 84.5 66.1 -55.1 -31.8 0.9 27.1 25.9 108 108 A W S X> S- 0 0 10 -3,-2.1 4,-2.2 1,-0.2 3,-0.5 -0.840 72.7-165.2 -94.7 101.1 1.9 26.4 22.3 109 109 A V H 3> S+ 0 0 90 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.878 88.6 55.8 -57.9 -35.6 4.5 29.1 21.5 110 110 A A H 3> S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.870 106.1 51.6 -66.5 -32.7 4.2 28.4 17.8 111 111 A W H <>>S+ 0 0 11 -3,-0.5 5,-2.8 -6,-0.2 4,-2.3 0.957 111.7 46.9 -64.4 -46.8 0.5 29.1 18.0 112 112 A R H <5S+ 0 0 133 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.911 120.3 38.2 -58.9 -45.7 1.2 32.4 19.8 113 113 A N H <5S+ 0 0 99 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.722 132.2 21.1 -83.8 -18.5 3.9 33.4 17.3 114 114 A R H <5S+ 0 0 136 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.589 131.9 26.1-127.5 -12.7 2.3 32.1 14.0 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.4 -3,-0.2 0.748 87.4 96.1-123.6 -44.1 -1.4 31.7 14.5 116 116 A K T 3 + 0 0 89 1,-0.2 3,-1.3 -2,-0.2 4,-0.3 -0.522 54.3 170.1 -78.5 78.8 -6.9 34.6 9.8 120 120 A V G > + 0 0 17 -2,-2.1 3,-1.9 1,-0.3 4,-0.3 0.772 65.0 72.8 -68.9 -20.8 -6.9 31.1 11.3 121 121 A Q G >> S+ 0 0 88 1,-0.3 3,-2.1 2,-0.2 4,-0.9 0.808 80.2 76.2 -67.3 -21.4 -10.1 30.1 9.5 122 122 A A G X4 S+ 0 0 36 -3,-1.3 3,-0.5 1,-0.3 -1,-0.3 0.818 83.6 66.6 -52.6 -32.6 -8.0 30.0 6.3 123 123 A W G <4 S+ 0 0 58 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.701 109.9 33.4 -67.6 -18.4 -6.6 26.7 7.7 124 124 A I G X4 S+ 0 0 30 -3,-2.1 3,-1.7 -4,-0.3 -1,-0.2 0.413 87.7 125.2-114.1 5.1 -10.0 25.0 7.3 125 125 A R T << S+ 0 0 118 -4,-0.9 3,-0.1 -3,-0.5 -119,-0.1 -0.307 76.2 20.1 -68.1 141.8 -11.2 26.9 4.2 126 126 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -120,-0.0 2,-0.1 0.105 95.0 125.0 87.8 -20.2 -12.3 24.6 1.4 127 127 A a < - 0 0 25 -3,-1.7 2,-0.7 1,-0.1 -1,-0.3 -0.481 59.8-136.1 -79.9 147.2 -12.7 21.6 3.7 128 128 A R 0 0 244 -2,-0.1 -1,-0.1 -3,-0.1 -118,-0.1 -0.891 360.0 360.0-102.6 99.9 -16.0 19.6 3.8 129 129 A L 0 0 94 -2,-0.7 -119,-0.1 -5,-0.0 -123,-0.0 -0.938 360.0 360.0-130.2 360.0 -16.5 19.2 7.6