==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-96 1UID . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR H.MOTOSHIMA,T.OHMURA,T.UEDA,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 11 8.5 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 . 32 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 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 . 2 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 87 0, 0.0 39,-2.3 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 130.2 2.0 10.1 9.4 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.923 360.0-140.0-102.7 112.6 2.0 13.5 7.7 3 3 A F - 0 0 14 35,-3.1 2,-0.3 -2,-0.7 3,-0.0 -0.376 5.9-125.3 -74.6 151.0 -1.6 14.8 7.6 4 4 A G > - 0 0 36 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.653 32.0-111.6 -87.1 151.9 -3.2 16.6 4.8 5 5 A R H > S+ 0 0 84 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.932 115.7 36.2 -51.2 -54.4 -4.6 20.0 5.8 6 6 A a H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 114.1 58.3 -71.9 -31.8 -8.3 19.1 5.4 7 7 A E H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 110.2 42.6 -62.9 -42.9 -7.8 15.6 6.6 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.936 110.9 56.6 -69.2 -42.6 -6.4 16.9 9.9 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.914 109.1 46.5 -52.4 -46.5 -9.2 19.5 10.1 10 10 A A H X S+ 0 0 44 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.844 111.5 50.9 -66.6 -38.1 -11.8 16.8 9.9 11 11 A A H X S+ 0 0 12 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.882 112.5 46.1 -67.5 -40.9 -10.1 14.6 12.5 12 12 A M H <>S+ 0 0 1 -4,-2.7 5,-2.1 2,-0.2 4,-0.3 0.894 112.5 50.8 -68.4 -39.4 -9.9 17.6 14.9 13 13 A K H ><5S+ 0 0 79 -4,-2.5 3,-2.2 -5,-0.3 5,-0.2 0.970 109.3 51.3 -60.6 -50.5 -13.5 18.5 14.2 14 14 A R H 3<5S+ 0 0 179 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.1 51.0 -55.3 -36.1 -14.5 14.9 14.9 15 15 A F T 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.457 121.3-108.3 -83.4 -0.9 -12.6 15.0 18.2 16 16 A G T < 5S+ 0 0 36 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.841 76.9 130.0 82.6 35.3 -14.3 18.2 19.3 17 17 A L > < + 0 0 0 -5,-2.1 3,-2.5 2,-0.1 2,-0.3 0.658 35.6 111.1 -93.3 -17.1 -11.7 20.9 19.0 18 18 A D T 3 S- 0 0 60 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.411 104.8 -10.5 -62.9 114.7 -13.8 23.3 16.9 19 19 A N T > S+ 0 0 96 4,-1.5 3,-1.9 -2,-0.3 2,-0.3 0.695 90.5 165.1 66.5 21.9 -14.4 26.1 19.4 20 20 A Y B X S-B 23 0B 73 -3,-2.5 3,-2.2 3,-0.9 -1,-0.2 -0.559 79.4 -6.5 -70.1 124.7 -13.0 24.1 22.3 21 21 A R T 3 S- 0 0 147 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.804 136.3 -56.0 56.4 32.3 -12.5 26.6 25.0 22 22 A G T < S+ 0 0 63 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.422 106.5 126.2 84.7 -1.6 -13.3 29.3 22.5 23 23 A Y B < -B 20 0B 47 -3,-2.2 -4,-1.5 -6,-0.1 -3,-0.9 -0.814 52.1-140.0 -98.6 116.3 -10.7 28.4 19.9 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.6 -5,-0.3 4,-0.9 -0.240 28.9-100.4 -66.4 161.4 -12.1 27.9 16.4 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.795 117.7 64.5 -52.3 -39.1 -10.8 25.1 14.2 26 26 A G H 3> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.847 98.9 57.4 -57.1 -33.5 -8.5 27.3 12.1 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.926 108.1 44.0 -61.2 -47.3 -6.5 27.9 15.3 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.2 -2,-0.2 0.866 113.9 49.4 -67.0 -42.7 -5.8 24.2 15.9 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.914 112.6 49.0 -64.1 -41.3 -4.9 23.5 12.3 30 30 A b H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.919 110.1 50.6 -65.4 -44.7 -2.6 26.5 12.2 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.946 111.8 47.7 -59.2 -46.7 -0.9 25.5 15.4 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 6,-1.1 0.919 109.6 55.1 -58.6 -45.7 -0.3 22.0 14.1 33 33 A K H X5S+ 0 0 54 -4,-2.5 4,-1.4 4,-0.2 -2,-0.2 0.942 117.2 32.2 -53.4 -56.7 1.1 23.4 10.8 34 34 A F H <5S+ 0 0 58 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.677 120.0 52.0 -81.1 -16.1 3.8 25.6 12.5 35 35 A E H <5S- 0 0 33 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.944 138.1 -6.6 -82.9 -48.3 4.5 23.3 15.4 36 36 A S H ><5S- 0 0 10 -4,-2.6 3,-0.9 19,-0.5 -3,-0.2 0.394 85.4-116.9-128.9 -3.4 5.0 20.0 13.4 37 37 A N T 3< - 0 0 51 4,-3.2 3,-2.1 -2,-0.3 -1,-0.0 -0.719 25.3-108.0-105.7 160.4 14.7 21.9 24.3 47 47 A T T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.844 116.2 59.7 -55.8 -35.3 17.6 23.5 26.1 48 48 A D T 3 S- 0 0 91 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.426 122.4-103.0 -75.1 1.9 16.4 22.5 29.5 49 49 A G S < S+ 0 0 24 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.239 84.9 118.9 98.4 -17.6 16.6 18.8 28.4 50 50 A S - 0 0 1 -5,-0.1 -4,-3.2 19,-0.1 -1,-0.3 -0.304 52.1-141.5 -76.7 168.9 12.8 18.2 27.8 51 51 A T E -C 45 0C 4 -6,-0.3 9,-2.2 -3,-0.1 2,-0.4 -0.964 5.0-131.8-133.8 148.1 11.5 17.2 24.4 52 52 A D E -CD 44 59C 27 -8,-3.2 -8,-1.5 -2,-0.3 2,-0.4 -0.855 27.5-155.5 -99.5 139.0 8.4 18.2 22.4 53 53 A Y E > -CD 43 58C 23 5,-2.3 5,-2.1 -2,-0.4 3,-0.4 -0.922 32.3 -21.3-125.3 140.7 6.4 15.4 20.9 54 54 A G T > 5S- 0 0 0 -12,-2.0 3,-1.3 -2,-0.4 30,-0.2 -0.015 97.7 -28.0 78.4-168.5 4.0 15.0 18.0 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.5 1,-0.3 -17,-0.3 0.760 141.2 35.0 -60.2 -28.3 1.7 17.0 15.8 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.360 105.6-125.2-109.6 5.5 1.1 19.5 18.6 57 57 A Q T < 5 - 0 0 13 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.912 33.4-165.8 51.8 54.3 4.7 19.4 20.1 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.3 -6,-0.1 2,-0.2 -0.518 17.8-120.1 -75.5 130.2 3.6 18.6 23.6 59 59 A N E >>> -D 52 0C 30 -2,-0.3 4,-1.6 -7,-0.2 3,-0.7 -0.506 5.9-145.4 -79.0 139.0 6.4 19.0 26.2 60 60 A S T 345S+ 0 0 0 -9,-2.2 14,-0.4 -2,-0.2 13,-0.2 0.632 89.0 76.1 -74.8 -19.1 7.8 16.2 28.4 61 61 A R T 345S+ 0 0 59 11,-0.2 12,-1.3 -10,-0.2 -1,-0.2 0.823 119.7 3.1 -63.9 -26.8 8.5 18.5 31.4 62 62 A W T <45S+ 0 0 125 -3,-0.7 13,-3.5 10,-0.3 -2,-0.2 0.721 131.7 40.0-125.2 -43.4 4.8 18.6 32.3 63 63 A W T <5S+ 0 0 29 -4,-1.6 13,-1.8 11,-0.3 15,-0.4 0.723 108.2 20.7 -93.1 -25.7 2.5 16.6 30.1 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 11,-0.1 10,-0.5 -0.891 65.6-115.2-143.7 169.6 4.1 13.2 29.3 65 65 A N B +e 79 0D 78 13,-2.3 15,-2.3 -2,-0.3 16,-0.4 -0.941 30.9 160.2-113.0 120.7 6.7 10.8 30.4 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 -6,-0.0 0.315 54.0-119.9-115.4 4.6 9.7 10.0 28.2 67 67 A G S S+ 0 0 64 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.604 98.7 73.1 69.0 15.1 11.9 8.6 30.9 68 68 A R + 0 0 121 1,-0.1 -1,-0.1 -8,-0.0 -8,-0.0 0.012 66.4 90.0-148.9 31.8 14.6 11.2 30.5 69 69 A T > - 0 0 8 -9,-0.1 3,-2.6 -19,-0.0 -2,-0.1 -0.714 66.1-147.1-133.7 79.6 13.3 14.4 31.9 70 70 A P T 3 S+ 0 0 115 0, 0.0 -20,-0.0 0, 0.0 -9,-0.0 -0.278 89.0 21.2 -50.0 113.0 14.2 14.7 35.6 71 71 A G T 3 S+ 0 0 60 1,-0.3 -10,-0.0 -2,-0.1 0, 0.0 0.440 85.2 154.3 104.4 -0.1 11.4 16.6 37.2 72 72 A S < - 0 0 31 -3,-2.6 -1,-0.3 1,-0.1 -10,-0.3 -0.267 33.2-154.8 -57.0 149.9 8.8 15.9 34.5 73 73 A R - 0 0 149 -12,-1.3 -11,-0.2 -13,-0.2 -10,-0.1 0.674 9.6-151.8-103.2 -20.4 5.2 16.0 35.8 74 74 A N > + 0 0 37 -10,-0.5 3,-1.3 -14,-0.4 -11,-0.3 0.872 25.8 168.9 45.6 53.9 3.3 13.7 33.3 75 75 A L T 3 S+ 0 0 53 -13,-3.5 -12,-0.2 1,-0.3 -11,-0.1 0.699 73.4 50.7 -67.3 -24.6 -0.1 15.4 33.7 76 76 A d T 3 S- 0 0 11 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.504 105.8-131.7 -91.3 -3.1 -1.7 13.7 30.7 77 77 A N < + 0 0 129 -3,-1.3 -13,-0.1 -14,-0.2 -2,-0.1 0.942 63.2 115.0 52.3 61.6 -0.6 10.4 32.1 78 78 A I S S- 0 0 32 -15,-0.4 -13,-2.3 16,-0.0 2,-0.3 -0.991 72.3-105.5-153.7 149.6 0.9 8.9 29.0 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.627 38.2-122.1 -75.1 143.5 4.3 7.9 27.7 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-1.9 1,-0.3 4,-0.2 0.796 107.5 71.1 -56.5 -31.2 5.5 10.6 25.2 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.7 1,-0.3 4,-0.3 0.799 85.6 69.6 -57.4 -24.3 5.8 8.0 22.4 82 82 A A G X S+ 0 0 32 -3,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.743 89.8 61.4 -66.1 -23.2 2.0 7.8 22.4 83 83 A L G < S+ 0 0 2 -3,-1.9 -28,-0.6 -4,-0.3 -1,-0.3 0.498 96.3 61.2 -81.0 -5.5 1.9 11.3 21.0 84 84 A L G < S+ 0 0 41 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.512 79.3 116.3 -97.6 -10.1 3.8 10.2 17.9 85 85 A S S < S- 0 0 53 -3,-0.7 6,-0.1 -4,-0.3 -3,-0.0 -0.116 76.5-121.2 -58.5 155.3 1.1 7.7 16.8 86 86 A S S S+ 0 0 72 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.599 102.3 77.1 -72.8 -13.1 -0.8 8.0 13.5 87 87 A D S > S- 0 0 86 -5,-0.1 3,-0.6 1,-0.1 4,-0.3 -0.908 71.7-161.6 -98.8 111.7 -3.9 8.1 15.6 88 88 A I T 3> + 0 0 4 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.329 59.4 107.5 -81.2 10.2 -4.0 11.6 17.1 89 89 A T H 3> S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 80.4 46.4 -54.5 -50.3 -6.5 10.8 19.9 90 90 A A H <> S+ 0 0 26 -3,-0.6 4,-2.3 -8,-0.3 -1,-0.2 0.904 113.8 49.3 -60.0 -42.6 -3.9 11.0 22.7 91 91 A S H > S+ 0 0 2 -4,-0.3 4,-3.0 -9,-0.3 5,-0.2 0.936 112.4 47.7 -62.6 -46.5 -2.5 14.2 21.4 92 92 A V H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.930 112.7 48.6 -61.4 -42.5 -5.9 15.8 21.1 93 93 A N H X S+ 0 0 81 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.900 114.5 45.2 -64.4 -43.2 -6.9 14.7 24.6 94 94 A d H >X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 3,-0.5 0.917 109.9 54.6 -67.8 -42.3 -3.7 16.0 26.1 95 95 A A H 3X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.869 103.3 57.5 -59.5 -35.6 -4.0 19.3 24.2 96 96 A K H 3X S+ 0 0 44 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.868 108.4 46.5 -63.9 -34.4 -7.5 19.8 25.7 97 97 A K H << S+ 0 0 100 -4,-1.1 4,-0.3 -3,-0.5 3,-0.3 0.904 113.4 49.3 -71.0 -45.0 -5.9 19.5 29.1 98 98 A I H >< S+ 0 0 8 -4,-2.3 3,-2.4 1,-0.2 5,-0.4 0.967 108.4 50.6 -58.1 -56.0 -3.1 21.9 28.1 99 99 A V H 3<>S+ 0 0 0 -4,-3.1 5,-0.5 1,-0.3 3,-0.4 0.700 109.4 53.4 -59.5 -19.3 -5.4 24.6 26.6 100 100 A S T 3<5S+ 0 0 34 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.472 79.7 97.2 -93.6 -3.2 -7.5 24.6 29.8 101 101 A D T < 5S- 0 0 104 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.1 0.401 108.1 -94.4 -67.5 -1.0 -4.5 25.2 32.0 102 102 A G T 5S+ 0 0 58 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.097 113.9 73.3 111.5 -23.0 -5.2 28.9 32.2 103 103 A N T > 5S- 0 0 111 -5,-0.4 3,-1.6 1,-0.3 4,-0.1 0.341 80.8-152.0-106.9 8.6 -3.1 30.3 29.4 104 104 A G G > < - 0 0 8 -5,-0.5 3,-0.9 1,-0.2 -1,-0.3 -0.274 64.3 -20.7 58.9-140.4 -5.2 29.1 26.5 105 105 A M G > S+ 0 0 0 1,-0.2 3,-2.0 2,-0.1 7,-0.3 0.457 114.5 91.4 -82.3 -0.3 -3.3 28.5 23.3 106 106 A N G < + 0 0 48 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.590 68.5 81.4 -66.1 -13.3 -0.4 30.8 24.2 107 107 A A G < S+ 0 0 58 -3,-0.9 2,-0.8 1,-0.1 -1,-0.3 0.736 83.1 68.4 -61.2 -25.6 1.1 27.5 25.6 108 108 A W S <> S- 0 0 9 -3,-2.0 4,-2.2 1,-0.2 3,-0.4 -0.878 72.3-163.4-100.6 105.3 2.1 26.9 22.0 109 109 A V H > S+ 0 0 73 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.852 89.6 54.7 -56.5 -37.7 4.8 29.4 21.0 110 110 A A H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.5 0.884 109.0 49.2 -64.7 -38.3 4.3 28.9 17.3 111 111 A W H >>S+ 0 0 12 -3,-0.4 5,-3.3 -6,-0.2 4,-2.5 0.946 112.6 46.6 -62.3 -52.6 0.6 29.6 17.7 112 112 A R H <5S+ 0 0 106 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.930 121.1 38.5 -55.9 -45.7 1.2 32.8 19.7 113 113 A N H <5S+ 0 0 114 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.750 133.5 16.7 -81.4 -27.0 3.9 34.0 17.2 114 114 A R H <5S+ 0 0 145 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.571 130.9 32.7-125.2 -14.2 2.4 32.9 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.5 3,-2.2 -5,-0.5 -3,-0.2 0.780 84.3 102.6-109.8 -43.1 -1.3 32.2 14.3 116 116 A K T 3 + 0 0 86 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.584 52.3 173.4 -79.9 82.0 -6.9 35.1 9.6 120 120 A V G > + 0 0 8 -2,-2.0 3,-1.5 1,-0.3 4,-0.3 0.667 65.1 77.5 -66.3 -14.9 -6.9 31.5 10.9 121 121 A Q G > S+ 0 0 115 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.792 78.7 72.8 -65.4 -25.6 -10.1 30.7 8.9 122 122 A A G X S+ 0 0 34 -3,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.774 85.9 67.3 -58.2 -26.6 -7.8 30.4 5.9 123 123 A W G < S+ 0 0 53 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.678 106.7 36.3 -70.7 -19.8 -6.6 27.1 7.3 124 124 A I G X S+ 0 0 46 -3,-1.7 3,-1.4 -4,-0.3 -1,-0.2 0.325 86.8 127.5-115.3 10.4 -9.8 25.3 6.9 125 125 A R T < S+ 0 0 162 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.297 73.1 20.2 -64.1 147.4 -10.9 26.9 3.6 126 126 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -120,-0.0 -1,-0.2 0.376 95.6 122.5 76.5 -6.0 -11.8 24.5 0.9 127 127 A a < - 0 0 23 -3,-1.4 2,-0.8 -122,-0.0 -1,-0.2 -0.707 63.0-132.8 -92.5 140.6 -12.4 21.6 3.3 128 128 A R 0 0 247 -2,-0.3 -118,-0.1 1,-0.2 -3,-0.0 -0.826 360.0 360.0 -87.9 112.4 -15.8 19.8 3.5 129 129 A L 0 0 100 -2,-0.8 -1,-0.2 -5,-0.0 -123,-0.0 0.814 360.0 360.0-114.5 360.0 -16.3 19.7 7.3