==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 10-JAN-92 1HEP . COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.P.WILSON,B.A.MALCOLM,B.W.MATTHEWS . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6800.0 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 . 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 . 33 25.6 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 0 2 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 73 0, 0.0 39,-2.4 0, 0.0 2,-1.0 0.000 360.0 360.0 360.0 126.1 2.6 10.4 9.2 2 2 A V B -A 39 0A 96 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.786 360.0-148.2 -96.3 100.5 2.7 13.7 7.2 3 3 A F - 0 0 12 35,-2.3 2,-0.2 -2,-1.0 3,-0.0 -0.237 9.3-121.1 -68.7 156.4 -0.9 15.0 7.1 4 4 A G > - 0 0 33 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.520 31.5-113.8 -84.1 154.4 -2.7 17.0 4.4 5 5 A R H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.963 117.0 36.9 -54.3 -55.4 -4.0 20.4 5.6 6 6 A a H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.852 113.8 58.0 -70.0 -34.5 -7.7 19.3 5.2 7 7 A E H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.955 111.5 41.1 -61.6 -46.3 -7.0 15.8 6.3 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.867 111.7 55.9 -65.8 -39.3 -5.7 17.1 9.6 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.970 109.4 48.0 -53.9 -53.4 -8.5 19.7 9.9 10 10 A A H X S+ 0 0 42 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.884 112.5 47.6 -61.6 -37.4 -11.1 16.9 9.5 11 11 A A H X S+ 0 0 22 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.3 0.898 111.3 49.2 -72.7 -37.0 -9.5 14.8 12.1 12 12 A M H <>S+ 0 0 1 -4,-2.6 5,-2.2 2,-0.2 6,-0.3 0.851 111.7 50.8 -66.8 -34.2 -9.1 17.5 14.6 13 13 A K H ><5S+ 0 0 82 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.955 108.3 50.8 -67.6 -46.5 -12.7 18.4 14.0 14 14 A R H 3<5S+ 0 0 203 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 106.3 57.8 -58.8 -29.8 -13.8 14.9 14.6 15 15 A H T 3<5S- 0 0 37 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.321 120.8-106.9 -88.7 15.6 -11.8 14.9 17.8 16 16 A G T < 5S+ 0 0 36 -3,-2.2 -3,-0.2 -5,-0.0 -2,-0.1 0.726 81.5 126.4 73.1 25.2 -13.7 17.9 19.1 17 17 A L > < + 0 0 0 -5,-2.2 3,-2.5 -6,-0.1 2,-0.3 0.790 37.3 105.1 -85.0 -29.3 -11.0 20.5 18.7 18 18 A D T 3 S- 0 0 62 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.403 103.7 -5.9 -57.9 118.1 -13.1 23.1 16.7 19 19 A N T > S+ 0 0 92 4,-2.3 3,-2.3 1,-0.3 2,-0.3 0.558 89.4 163.3 71.3 11.9 -14.0 25.9 19.1 20 20 A Y B X S-B 23 0B 69 -3,-2.5 3,-1.5 3,-0.7 -1,-0.3 -0.516 80.0 -7.6 -64.0 119.9 -12.5 24.0 21.9 21 21 A R T 3 S- 0 0 152 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.701 135.0 -57.4 62.7 21.5 -12.0 26.7 24.6 22 22 A G T < S+ 0 0 61 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.377 105.0 129.1 93.1 0.2 -13.0 29.3 21.9 23 23 A Y B < -B 20 0B 47 -3,-1.5 -4,-2.3 -6,-0.2 -3,-0.7 -0.799 52.5-138.5 -95.8 110.3 -10.3 28.5 19.4 24 24 A S >> - 0 0 34 -2,-0.7 3,-1.8 -6,-0.2 4,-0.9 -0.271 27.9-101.7 -64.0 156.4 -11.7 27.9 16.0 25 25 A L H 3> S+ 0 0 3 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.773 117.8 65.5 -46.5 -42.0 -10.3 25.0 13.8 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.837 98.2 55.0 -58.1 -31.4 -8.1 27.3 11.8 27 27 A N H <> S+ 0 0 21 -3,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.941 108.5 47.4 -65.3 -46.3 -6.1 28.1 14.8 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.882 114.9 45.0 -60.9 -42.0 -5.4 24.5 15.5 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.869 111.4 52.8 -73.4 -37.5 -4.4 23.8 12.0 30 30 A b H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.947 109.4 49.8 -64.5 -46.4 -2.3 26.9 11.8 31 31 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.919 109.7 50.6 -59.4 -42.6 -0.4 26.0 14.9 32 32 A A H X>S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 6,-1.6 0.885 107.1 55.7 -64.1 -33.9 0.3 22.4 13.6 33 33 A K H X5S+ 0 0 61 -4,-2.3 4,-1.1 4,-0.2 -1,-0.2 0.942 116.3 34.4 -62.0 -46.1 1.5 23.8 10.4 34 34 A F H <5S+ 0 0 63 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.771 116.7 53.6 -84.9 -21.0 4.1 25.9 12.1 35 35 A E H <5S- 0 0 30 -4,-2.5 -3,-0.2 20,-0.2 -2,-0.2 0.859 136.6 -8.7 -78.5 -36.1 4.9 23.6 15.0 36 36 A S H ><5S- 0 0 13 -4,-1.8 3,-1.4 19,-0.3 -3,-0.2 0.335 87.7-109.2-146.5 2.7 5.8 20.6 13.0 37 37 A N T 3< - 0 0 54 4,-3.6 3,-2.0 -2,-0.2 -1,-0.0 -0.714 25.1-107.4-112.8 167.9 15.3 22.2 23.7 47 47 A T T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.880 116.9 61.1 -60.9 -42.4 18.1 23.8 25.7 48 48 A D T 3 S- 0 0 84 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.549 122.4-107.3 -65.7 1.6 16.6 22.9 29.0 49 49 A G S < S+ 0 0 26 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.478 82.6 124.0 89.2 0.9 17.0 19.3 27.8 50 50 A S - 0 0 0 19,-0.1 -4,-3.6 -5,-0.0 -1,-0.4 -0.449 50.3-142.4 -89.2 174.2 13.4 18.8 27.3 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.9 -2,-0.1 2,-0.4 -0.988 3.6-136.5-140.2 145.2 12.0 17.7 23.9 52 52 A D E -CD 44 59C 27 -8,-2.7 -8,-1.2 -2,-0.3 2,-0.4 -0.848 25.8-159.9-101.2 136.1 8.8 18.6 21.9 53 53 A Y E > -CD 43 58C 25 5,-2.6 5,-1.9 -2,-0.4 3,-0.4 -0.941 33.3 -10.3-127.3 140.2 6.9 15.8 20.2 54 54 A G T > 5S- 0 0 0 -12,-2.8 3,-1.4 -2,-0.4 30,-0.1 -0.204 98.2 -36.1 85.7-178.0 4.4 15.5 17.4 55 55 A V T 3 5S+ 0 0 2 28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.752 142.0 36.2 -58.4 -27.6 2.2 17.7 15.2 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.243 105.4-128.2-112.0 13.6 1.6 20.1 18.1 57 57 A Q T < 5 - 0 0 11 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.860 30.0-164.1 44.6 58.6 5.1 19.7 19.6 58 58 A I E < -D 53 0C 3 -5,-1.9 -5,-2.6 -6,-0.1 2,-0.3 -0.509 20.2-115.1 -74.4 136.0 4.0 19.0 23.1 59 59 A N E >>> -D 52 0C 28 -7,-0.2 4,-1.6 -2,-0.2 5,-0.6 -0.566 7.3-146.1 -84.1 138.7 6.8 19.4 25.6 60 60 A S T 345S+ 0 0 0 -9,-2.9 14,-0.3 -2,-0.3 6,-0.2 0.644 90.6 75.3 -74.1 -15.3 8.4 16.6 27.7 61 61 A R T 345S- 0 0 51 -10,-0.2 12,-1.3 11,-0.2 -1,-0.2 0.887 120.7 -1.5 -64.3 -40.6 9.0 19.1 30.7 62 62 A W T <45S+ 0 0 114 -3,-0.5 13,-3.3 10,-0.2 -2,-0.2 0.737 130.8 45.4-116.8 -35.6 5.3 19.1 31.8 63 63 A W T <5S+ 0 0 28 -4,-1.6 13,-1.7 11,-0.3 2,-0.3 0.693 105.3 18.1 -93.1 -32.9 3.1 17.0 29.6 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 11,-0.1 10,-0.4 -0.967 69.4-111.2-141.5 159.4 4.5 13.6 28.6 65 65 A N B +e 79 0D 76 13,-2.6 15,-2.4 -2,-0.3 16,-0.4 -0.849 34.2 162.5 -97.6 126.6 7.1 11.2 29.9 66 66 A D - 0 0 33 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.300 50.6-120.5-119.3 4.1 10.2 10.6 27.7 67 67 A G S S+ 0 0 63 2,-0.2 -2,-0.1 -7,-0.1 -7,-0.0 0.509 99.9 66.2 75.6 -1.7 12.5 9.1 30.2 68 68 A R + 0 0 125 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.328 68.8 91.8-141.5 20.6 15.1 11.6 29.9 69 69 A T > - 0 0 9 -9,-0.1 3,-1.4 -18,-0.0 -2,-0.2 -0.950 69.4-142.6-114.9 96.2 13.6 15.0 31.2 70 70 A P T 3 S+ 0 0 110 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.343 87.5 20.0 -62.7 129.4 14.5 15.1 35.0 71 71 A G T 3 S+ 0 0 70 1,-0.2 2,-0.1 -2,-0.1 0, 0.0 0.843 88.1 166.2 78.5 23.8 11.8 16.6 36.9 72 72 A S < - 0 0 31 -3,-1.4 -10,-0.2 1,-0.1 -1,-0.2 -0.516 26.9-155.8 -71.7 147.9 9.2 15.9 34.2 73 73 A R - 0 0 180 -12,-1.3 -11,-0.2 -13,-0.2 -10,-0.1 0.686 8.6-153.1 -96.8 -27.4 5.6 16.2 35.3 74 74 A N > + 0 0 43 -10,-0.4 3,-2.1 -14,-0.3 -11,-0.3 0.896 25.7 169.0 52.0 44.4 3.7 13.9 32.9 75 75 A L T 3 S+ 0 0 96 -13,-3.3 -12,-0.2 1,-0.3 -11,-0.1 0.839 74.5 49.6 -56.8 -34.1 0.5 15.9 33.2 76 76 A d T 3 S- 0 0 25 -13,-1.7 -1,-0.3 2,-0.1 -12,-0.1 0.513 104.6-131.9 -82.6 -6.8 -1.0 14.1 30.3 77 77 A N < + 0 0 138 -3,-2.1 -13,-0.1 1,-0.2 -2,-0.1 0.947 65.8 102.6 58.7 55.6 -0.1 10.7 31.6 78 78 A I S S- 0 0 33 -15,-0.2 -13,-2.6 16,-0.0 2,-0.3 -0.997 76.6 -98.9-158.2 159.1 1.4 9.2 28.5 79 79 A P B > -e 65 0D 71 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.590 36.1-121.9 -80.2 144.7 4.7 8.5 27.0 80 80 A c G > S+ 0 0 0 -15,-2.4 3,-1.5 1,-0.3 4,-0.2 0.793 108.8 68.4 -54.0 -29.7 5.9 11.1 24.6 81 81 A S G > S+ 0 0 86 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.798 85.6 68.8 -66.4 -24.4 6.2 8.6 21.9 82 82 A A G X S+ 0 0 30 -3,-2.1 3,-1.1 1,-0.3 8,-0.3 0.812 91.4 63.4 -57.3 -29.8 2.4 8.2 21.9 83 83 A L G < S+ 0 0 1 -3,-1.5 -28,-0.5 -4,-0.5 -1,-0.3 0.498 94.9 59.8 -72.4 -6.7 2.3 11.8 20.4 84 84 A L G < S+ 0 0 41 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.423 79.3 114.9-101.7 -2.2 4.1 10.7 17.3 85 85 A S S < S- 0 0 57 -3,-1.1 6,-0.1 -4,-0.2 -3,-0.0 -0.266 75.8-120.6 -63.2 157.6 1.5 8.2 16.2 86 86 A S S S+ 0 0 71 2,-0.1 2,-0.8 -45,-0.0 -1,-0.1 0.683 100.0 80.4 -71.9 -18.5 -0.5 8.6 12.9 87 87 A D S > S- 0 0 94 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.813 73.3-156.5 -89.7 117.3 -3.6 8.5 15.1 88 88 A I T 3> + 0 0 7 -2,-0.8 4,-3.0 1,-0.2 3,-0.3 0.514 63.1 104.4 -75.4 -2.7 -4.0 12.0 16.6 89 89 A T H 3> S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.835 80.8 43.5 -45.9 -53.6 -6.0 11.0 19.6 90 90 A A H <> S+ 0 0 26 -3,-0.6 4,-2.0 -8,-0.3 -1,-0.2 0.896 115.3 51.5 -64.3 -36.5 -3.3 11.2 22.3 91 91 A T H > S+ 0 0 6 -4,-0.3 4,-2.8 -3,-0.3 -2,-0.2 0.957 111.6 47.2 -62.9 -49.3 -2.1 14.5 20.8 92 92 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.914 112.2 48.5 -59.7 -47.1 -5.7 15.9 20.9 93 93 A N H X S+ 0 0 90 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.865 114.7 45.4 -64.0 -38.3 -6.4 14.8 24.5 94 94 A d H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 3,-0.3 0.907 109.7 54.2 -71.4 -43.7 -3.2 16.2 25.7 95 95 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.891 103.5 57.9 -56.5 -38.7 -3.7 19.5 23.8 96 96 A K H X S+ 0 0 44 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.917 108.4 46.4 -57.8 -43.5 -7.1 19.9 25.4 97 97 A K H X S+ 0 0 141 -4,-1.1 4,-0.6 -3,-0.3 3,-0.3 0.901 112.4 48.8 -65.9 -45.5 -5.5 19.8 28.8 98 98 A I H >< S+ 0 0 9 -4,-2.2 3,-1.4 1,-0.2 5,-0.3 0.957 110.7 49.6 -61.2 -49.2 -2.7 22.2 27.9 99 99 A V H >< S+ 0 0 5 -4,-3.0 3,-0.5 1,-0.3 5,-0.3 0.732 107.6 54.8 -65.2 -21.3 -5.1 24.8 26.3 100 100 A S H 3< S+ 0 0 37 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.544 86.5 95.1 -84.0 -12.7 -7.3 24.7 29.4 101 101 A D T << S- 0 0 109 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.559 104.5 -92.8 -58.0 -24.1 -4.2 25.5 31.5 102 102 A G S < S+ 0 0 59 -3,-0.5 3,-0.1 -4,-0.2 -1,-0.1 -0.117 114.2 60.4 137.7 -47.2 -4.5 29.2 31.7 103 103 A N S > S- 0 0 122 1,-0.3 3,-1.9 -5,-0.3 4,-0.1 0.330 86.0-152.8 -96.5 6.6 -2.6 30.9 28.9 104 104 A G G > - 0 0 9 -5,-0.3 3,-1.5 1,-0.3 -1,-0.3 -0.295 65.8 -14.5 61.7-142.3 -4.7 29.2 26.3 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 7,-0.3 0.508 116.4 89.2 -73.8 -4.2 -3.0 28.7 22.9 106 106 A N G < + 0 0 43 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.708 69.2 82.0 -63.7 -15.6 -0.2 31.1 24.0 107 107 A A G < S+ 0 0 59 -3,-1.5 2,-0.8 1,-0.2 -1,-0.3 0.800 82.9 66.9 -57.6 -27.5 1.2 27.8 25.3 108 108 A W S X> S- 0 0 10 -3,-1.9 4,-2.1 1,-0.2 3,-0.8 -0.833 72.7-160.9-102.4 107.2 2.4 27.3 21.8 109 109 A V H 3> S+ 0 0 75 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.851 91.2 53.5 -57.5 -36.4 5.0 29.8 20.8 110 110 A A H 3> S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.839 109.5 51.7 -70.3 -24.4 4.5 29.3 17.0 111 111 A W H <>>S+ 0 0 11 -3,-0.8 4,-3.5 -6,-0.2 5,-3.4 0.973 112.3 43.9 -67.3 -54.1 0.8 30.0 17.5 112 112 A R H <5S+ 0 0 111 -4,-2.1 -2,-0.2 -7,-0.3 -3,-0.2 0.893 122.7 38.3 -55.7 -47.1 1.5 33.2 19.4 113 113 A N H <5S+ 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.702 133.7 17.2 -82.9 -21.3 4.1 34.3 16.9 114 114 A R H <5S+ 0 0 138 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.559 130.0 31.3-130.8 -11.4 2.6 33.2 13.7 115 115 A b T ><5S+ 0 0 0 -4,-3.5 3,-2.2 -5,-0.3 -3,-0.2 0.739 85.1 98.3-112.7 -49.0 -1.1 32.5 14.1 116 116 A K T 3 + 0 0 112 -2,-0.2 3,-2.0 1,-0.2 4,-0.2 -0.547 51.9 173.0 -82.3 77.6 -6.9 35.3 9.5 120 120 A V G > + 0 0 15 -2,-2.1 3,-2.2 1,-0.3 4,-0.4 0.731 63.3 79.9 -62.6 -18.5 -6.6 31.7 10.7 121 121 A Q G > S+ 0 0 132 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.739 76.7 75.0 -63.1 -17.2 -9.7 30.8 8.8 122 122 A A G X S+ 0 0 32 -3,-2.0 3,-0.8 1,-0.2 -1,-0.3 0.805 84.1 68.4 -61.7 -30.7 -7.5 30.6 5.7 123 123 A W G < S+ 0 0 57 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.708 106.7 34.4 -64.7 -24.3 -6.1 27.3 7.1 124 124 A I G X S+ 0 0 38 -3,-1.1 3,-1.7 -4,-0.4 -1,-0.2 0.333 86.6 132.4-114.0 11.9 -9.4 25.4 6.6 125 125 A R T < S+ 0 0 172 -3,-0.8 3,-0.1 -4,-0.3 -119,-0.1 -0.407 72.9 14.0 -66.5 134.8 -10.4 27.0 3.5 126 126 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.363 95.1 129.2 87.2 -3.9 -11.5 24.7 0.7 127 127 A a < - 0 0 23 -3,-1.7 2,-1.0 1,-0.1 -1,-0.3 -0.529 62.6-124.9 -85.4 153.5 -11.8 21.8 3.0 128 128 A R 0 0 233 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.805 360.0 360.0 -93.9 102.6 -14.8 19.6 3.1 129 129 A L 0 0 93 -2,-1.0 -119,-0.1 -5,-0.1 -123,-0.0 -0.809 360.0 360.0-125.6 360.0 -15.8 19.6 6.8