==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-10 3AGH . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.ITO,K.SHIRAKI,K.HASEGAWA,S.BABA,T.KUMASAKA . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6714.0 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 . 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 . 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 79 0, 0.0 39,-3.2 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 134.7 -2.0 10.3 19.1 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.920 360.0-151.8-104.2 110.1 -2.0 13.7 20.9 3 3 A F - 0 0 12 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.511 11.5-120.4 -77.1 150.4 1.6 14.9 20.9 4 4 A G > - 0 0 35 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.505 32.9-107.3 -74.4 159.0 3.1 17.1 23.5 5 5 A R H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.934 118.9 35.1 -52.8 -57.9 4.5 20.5 22.3 6 6 A a H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 114.5 58.9 -72.4 -30.7 8.2 19.6 22.7 7 7 A E H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.905 109.5 44.3 -60.4 -43.7 7.6 16.0 21.7 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.913 109.0 55.9 -70.5 -40.2 6.2 17.2 18.4 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.926 109.8 47.8 -53.9 -45.1 9.0 19.7 17.9 10 10 A A H X S+ 0 0 47 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.893 111.1 49.1 -64.3 -42.2 11.4 16.8 18.3 11 11 A A H X S+ 0 0 18 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.930 111.6 49.5 -66.7 -41.0 9.6 14.6 15.8 12 12 A M H <>S+ 0 0 1 -4,-2.9 5,-2.7 1,-0.2 6,-0.4 0.921 111.2 50.0 -61.9 -42.2 9.4 17.4 13.2 13 13 A K H ><5S+ 0 0 82 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.915 107.6 52.9 -61.0 -46.3 13.1 18.1 13.6 14 14 A R H 3<5S+ 0 0 186 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.894 108.3 51.9 -55.5 -40.8 14.0 14.4 13.2 15 15 A H T 3<5S- 0 0 28 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.291 120.8-107.9 -86.7 13.5 12.0 14.4 10.0 16 16 A G T < 5S+ 0 0 32 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.705 81.4 125.9 79.9 21.6 13.9 17.4 8.6 17 17 A L > < + 0 0 0 -5,-2.7 3,-2.2 -6,-0.1 2,-0.2 0.749 38.6 105.3 -85.6 -23.3 11.1 20.0 9.0 18 18 A D T 3 S- 0 0 56 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.397 102.2 -6.4 -64.8 122.3 13.0 22.5 11.0 19 19 A N T > S+ 0 0 109 4,-1.5 3,-1.8 1,-0.2 2,-0.3 0.671 91.2 160.0 60.3 21.7 14.0 25.4 8.7 20 20 A Y B X S-B 23 0B 72 -3,-2.2 3,-1.9 3,-0.7 -1,-0.2 -0.572 77.2 -0.4 -71.8 130.4 12.6 23.6 5.7 21 21 A R T 3 S- 0 0 148 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.771 135.9 -62.3 56.9 27.8 11.9 26.2 3.0 22 22 A G T < S+ 0 0 56 -3,-1.8 2,-0.7 1,-0.2 -1,-0.3 0.494 103.3 132.5 79.9 6.5 13.2 28.8 5.6 23 23 A Y B < -B 20 0B 45 -3,-1.9 -4,-1.5 -6,-0.2 -3,-0.7 -0.814 52.1-134.7 -98.8 113.6 10.5 28.1 8.2 24 24 A S >> - 0 0 49 -2,-0.7 3,-1.4 -5,-0.2 4,-1.1 -0.131 26.7-102.2 -62.1 161.3 11.9 27.6 11.6 25 25 A L H 3> S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.830 118.8 61.1 -55.9 -37.4 10.6 24.8 13.8 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.831 99.2 58.1 -62.9 -31.0 8.4 27.1 15.9 27 27 A N H <> S+ 0 0 20 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.913 109.2 44.5 -62.3 -43.2 6.4 28.0 12.8 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.875 114.3 48.3 -68.9 -40.9 5.6 24.3 12.2 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.937 112.7 48.2 -65.8 -45.4 4.7 23.7 15.9 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.934 111.4 51.0 -59.3 -43.8 2.5 26.8 16.0 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.940 111.7 47.1 -62.9 -44.4 0.7 25.6 12.7 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 6,-1.3 0.886 108.0 57.2 -63.2 -39.7 0.1 22.2 14.2 33 33 A K H X5S+ 0 0 62 -4,-2.5 4,-1.5 4,-0.2 -1,-0.2 0.957 116.1 33.8 -55.1 -50.2 -1.2 23.7 17.4 34 34 A F H <5S+ 0 0 60 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.734 119.6 50.3 -85.2 -21.8 -3.9 25.7 15.7 35 35 A E H <5S- 0 0 36 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.920 137.6 -5.3 -74.5 -46.0 -4.6 23.2 12.9 36 36 A S H ><5S- 0 0 11 -4,-2.4 3,-1.5 19,-0.4 -3,-0.2 0.384 83.6-115.8-131.7 -1.9 -5.1 20.0 15.1 37 37 A N T 3< - 0 0 46 4,-2.9 3,-2.0 -2,-0.3 -1,-0.0 -0.624 24.7-111.8 -95.6 161.3 -14.8 21.7 4.3 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.809 116.1 60.0 -59.8 -33.5 -17.8 23.3 2.7 48 48 A D T 3 S- 0 0 102 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.430 121.4-104.5 -74.0 -5.4 -16.7 22.1 -0.8 49 49 A G S < S+ 0 0 22 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.269 84.2 122.3 94.4 -8.4 -16.8 18.5 0.4 50 50 A S - 0 0 0 19,-0.1 -4,-2.9 -5,-0.1 -1,-0.4 -0.339 52.1-141.3 -72.2 167.5 -13.0 18.1 0.7 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.6 -3,-0.1 2,-0.4 -0.983 2.6-137.7-133.7 144.6 -11.6 17.1 4.1 52 52 A D E -CD 44 59C 25 -8,-2.7 -8,-1.8 -2,-0.4 2,-0.4 -0.858 26.8-158.6-101.4 140.2 -8.5 18.1 6.0 53 53 A Y E > -CD 43 58C 26 5,-2.2 5,-2.1 -2,-0.4 3,-0.4 -0.962 30.2 -19.1-129.1 132.5 -6.5 15.4 7.8 54 54 A G T > 5S- 0 0 0 -12,-2.9 3,-1.5 -2,-0.4 30,-0.2 -0.217 98.5 -24.8 88.5-168.7 -4.0 15.0 10.6 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.796 141.8 32.6 -61.4 -28.9 -1.6 17.1 12.6 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.209 105.7-123.0-116.1 16.4 -1.2 19.7 9.8 57 57 A Q T < 5 - 0 0 11 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.909 35.2-165.2 49.4 55.3 -4.8 19.4 8.4 58 58 A I E < -D 53 0C 1 -5,-2.1 -5,-2.2 -6,-0.1 2,-0.3 -0.533 16.3-121.8 -81.3 134.2 -3.7 18.5 4.9 59 59 A N E >> -D 52 0C 43 -2,-0.2 4,-2.3 -7,-0.2 3,-1.2 -0.642 7.4-147.1 -89.1 133.7 -6.5 18.9 2.3 60 60 A S T 34 S+ 0 0 0 -9,-2.6 6,-0.2 -2,-0.3 -1,-0.1 0.581 88.5 82.4 -69.6 -11.7 -7.9 16.2 0.1 61 61 A R T 34 S- 0 0 81 -10,-0.2 12,-2.1 11,-0.2 -1,-0.2 0.863 119.9 -5.6 -60.9 -33.1 -8.6 18.7 -2.7 62 62 A W T <4 S+ 0 0 110 -3,-1.2 13,-2.9 10,-0.2 -2,-0.2 0.666 131.3 47.4-127.5 -32.3 -5.0 18.5 -3.8 63 63 A W S < S+ 0 0 26 -4,-2.3 13,-1.7 11,-0.3 15,-0.3 0.693 103.1 19.2-107.8 -25.2 -2.8 16.5 -1.6 64 64 A c - 0 0 0 9,-0.4 2,-0.6 -5,-0.4 11,-0.1 -0.965 68.3-110.5-143.9 164.1 -4.2 13.0 -0.7 65 65 A N B +e 79 0D 77 13,-2.6 15,-2.6 -2,-0.3 16,-0.4 -0.848 37.1 154.9-102.4 124.7 -6.8 10.5 -1.9 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.350 53.0-125.1-119.2 2.3 -9.9 9.9 0.2 67 67 A G S S+ 0 0 70 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.418 95.3 77.2 72.5 -2.7 -12.1 8.7 -2.6 68 68 A R + 0 0 111 1,-0.1 -1,-0.1 2,-0.0 -8,-0.0 0.006 64.8 86.1-131.2 29.0 -14.8 11.2 -1.8 69 69 A T S > S- 0 0 12 -9,-0.1 3,-2.2 3,-0.1 -2,-0.1 -0.751 72.9-142.4-127.9 83.3 -13.5 14.6 -3.2 70 70 A P T 3 S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.166 80.9 11.0 -51.6 135.3 -14.7 14.8 -6.9 71 71 A G T 3 S+ 0 0 77 1,-0.3 -10,-0.0 0, 0.0 2,-0.0 0.354 98.8 137.3 82.8 -2.2 -12.2 16.3 -9.3 72 72 A S < - 0 0 31 -3,-2.2 -1,-0.3 1,-0.1 -10,-0.2 -0.220 45.1-135.2 -75.9 166.1 -9.5 16.3 -6.7 73 73 A R - 0 0 146 -12,-2.1 -9,-0.4 -13,-0.1 -1,-0.1 -0.588 5.0-144.8-108.8 174.3 -5.8 15.4 -7.0 74 74 A N > + 0 0 47 -2,-0.2 3,-1.7 -11,-0.2 -11,-0.3 -0.580 30.2 162.6-138.4 65.5 -3.5 13.3 -4.9 75 75 A L T 3 S+ 0 0 62 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.762 75.5 52.1 -68.6 -24.6 -0.2 15.2 -5.2 76 76 A d T 3 S- 0 0 11 -13,-1.7 -1,-0.3 2,-0.2 -12,-0.1 0.515 104.9-132.1 -85.5 -4.9 1.4 13.5 -2.2 77 77 A N < + 0 0 131 -3,-1.7 -13,-0.1 1,-0.2 -2,-0.1 0.898 65.0 112.8 57.2 49.9 0.5 10.1 -3.6 78 78 A I S S- 0 0 29 -15,-0.3 -13,-2.6 12,-0.0 2,-0.2 -0.992 74.3-103.4-145.5 151.8 -1.0 8.8 -0.3 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.559 36.8-123.1 -69.5 141.9 -4.4 7.8 1.1 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-1.8 1,-0.3 -14,-0.1 0.824 109.1 70.7 -59.3 -29.0 -5.5 10.6 3.3 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.790 84.6 67.9 -52.7 -30.2 -5.7 8.0 6.2 82 82 A A G X S+ 0 0 31 -3,-1.9 3,-0.9 1,-0.3 9,-0.3 0.753 91.1 63.3 -63.0 -24.3 -1.9 7.9 6.2 83 83 A L G < S+ 0 0 1 -3,-1.8 -28,-0.5 -4,-0.4 -1,-0.3 0.455 95.0 59.8 -77.7 -2.7 -2.1 11.4 7.5 84 84 A L G < S+ 0 0 43 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.410 80.1 120.2-107.2 1.7 -3.8 10.3 10.7 85 85 A S S < S- 0 0 56 -3,-0.9 6,-0.1 -4,-0.2 -3,-0.0 -0.097 73.1-122.3 -64.1 158.0 -1.1 7.9 11.9 86 86 A S S S+ 0 0 69 -45,-0.0 2,-0.5 2,-0.0 -1,-0.1 0.856 102.6 73.2 -64.7 -32.2 0.8 8.2 15.2 87 87 A D S S- 0 0 85 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.750 74.7-156.3 -85.5 124.8 4.0 8.3 13.1 88 88 A I > + 0 0 6 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.387 62.5 108.2 -87.8 6.2 4.1 11.8 11.4 89 89 A T H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 81.0 45.8 -52.6 -48.4 6.4 10.7 8.5 90 90 A A H > S+ 0 0 24 -3,-0.5 4,-2.4 -8,-0.3 -1,-0.2 0.928 113.5 49.5 -63.9 -43.1 3.6 11.0 5.9 91 91 A S H > S+ 0 0 5 -9,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.898 113.4 45.9 -59.8 -42.3 2.3 14.3 7.2 92 92 A V H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.937 112.0 50.8 -69.3 -43.6 5.8 15.8 7.2 93 93 A N H X S+ 0 0 74 -4,-2.8 4,-1.1 -5,-0.3 -2,-0.2 0.905 115.1 42.7 -58.8 -40.7 6.6 14.5 3.7 94 94 A d H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 3,-0.4 0.918 109.7 56.9 -74.5 -40.6 3.4 15.9 2.3 95 95 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.861 102.2 57.3 -54.2 -38.5 3.8 19.2 4.2 96 96 A K H X S+ 0 0 43 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.899 108.3 46.0 -60.0 -40.7 7.2 19.6 2.5 97 97 A K H >< S+ 0 0 96 -4,-1.1 3,-0.5 -3,-0.4 4,-0.3 0.937 113.5 49.6 -65.6 -43.1 5.5 19.4 -0.9 98 98 A I H >< S+ 0 0 7 -4,-2.5 3,-1.6 1,-0.2 5,-0.3 0.927 110.3 48.6 -61.7 -48.8 2.8 21.9 0.2 99 99 A V H 3< S+ 0 0 1 -4,-2.8 5,-0.4 1,-0.3 3,-0.4 0.674 110.5 53.1 -69.9 -16.9 5.2 24.5 1.6 100 100 A S T << S+ 0 0 33 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.363 83.0 93.7 -90.5 -0.2 7.2 24.2 -1.7 101 101 A D S < S- 0 0 104 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 0.543 108.6 -88.4 -78.6 -8.4 4.2 24.9 -3.9 102 102 A G S S+ 0 0 62 -3,-0.4 -3,-0.1 -4,-0.1 -1,-0.1 -0.032 114.6 66.6 135.6 -34.8 4.7 28.7 -4.1 103 103 A N S > S- 0 0 115 -5,-0.3 3,-1.8 1,-0.3 4,-0.1 0.259 82.6-147.5-106.7 13.3 2.9 30.4 -1.2 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.244 69.4 -17.5 55.0-141.3 5.1 29.0 1.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.578 116.0 91.1 -78.9 -1.8 3.2 28.4 4.8 106 106 A N G < + 0 0 49 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.711 67.3 80.7 -64.9 -13.6 0.3 30.7 3.7 107 107 A A G < S+ 0 0 54 -3,-1.4 2,-0.9 1,-0.2 -1,-0.3 0.801 84.7 66.8 -57.9 -30.4 -1.2 27.4 2.3 108 108 A W S X> S- 0 0 9 -3,-2.1 4,-2.2 1,-0.2 3,-0.6 -0.823 73.9-165.6 -93.1 101.7 -2.2 26.9 6.0 109 109 A V H 3> S+ 0 0 78 -2,-0.9 4,-2.6 1,-0.3 5,-0.2 0.881 88.2 55.5 -57.4 -39.2 -4.7 29.6 6.6 110 110 A A H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.853 106.4 51.8 -63.2 -32.6 -4.5 29.1 10.4 111 111 A W H <>>S+ 0 0 12 -3,-0.6 5,-3.1 -6,-0.2 4,-2.4 0.960 111.3 46.7 -67.1 -46.2 -0.7 29.7 10.2 112 112 A R H <5S+ 0 0 112 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.927 120.5 39.1 -57.6 -42.7 -1.3 32.9 8.3 113 113 A N H <5S+ 0 0 103 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.746 132.8 18.1 -85.4 -20.8 -4.0 34.1 10.7 114 114 A R H <5S+ 0 0 138 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.578 131.7 28.1-129.2 -12.8 -2.5 32.9 14.0 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.4 -3,-0.2 0.717 84.5 102.2-116.8 -43.5 1.2 32.2 13.7 116 116 A K T 3 + 0 0 116 1,-0.2 3,-1.5 -2,-0.1 4,-0.3 -0.483 57.5 167.0 -76.9 75.0 6.8 35.1 18.5 120 120 A V G > + 0 0 17 -2,-2.2 3,-1.6 1,-0.3 4,-0.3 0.729 62.5 74.1 -71.5 -19.9 6.8 31.6 17.1 121 121 A Q G >> S+ 0 0 100 1,-0.3 3,-1.8 -3,-0.2 4,-0.5 0.801 80.6 75.0 -63.5 -20.7 10.0 30.6 18.9 122 122 A A G X4 S+ 0 0 43 -3,-1.5 3,-1.2 1,-0.3 -1,-0.3 0.870 84.4 66.3 -54.9 -31.2 7.8 30.5 22.0 123 123 A W G <4 S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.713 109.0 35.0 -67.9 -17.6 6.5 27.2 20.7 124 124 A I G X4 S+ 0 0 35 -3,-1.8 3,-1.8 -4,-0.3 -1,-0.3 0.303 87.6 135.1-114.5 9.0 9.9 25.5 21.1 125 125 A R T << S+ 0 0 181 -3,-1.2 3,-0.1 -4,-0.5 -3,-0.1 -0.232 77.6 6.8 -57.7 135.4 10.9 27.4 24.3 126 126 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 3,-0.0 -1,-0.3 0.425 94.6 137.3 77.9 -8.8 12.3 25.1 26.9 127 127 A a < - 0 0 19 -3,-1.8 2,-0.8 1,-0.1 -1,-0.2 -0.601 58.9-127.3 -80.7 138.0 12.4 22.1 24.6 128 128 A R 0 0 249 -2,-0.3 -1,-0.1 -3,-0.1 -118,-0.1 -0.715 360.0 360.0 -82.8 108.3 15.5 19.9 24.6 129 129 A L 0 0 95 -2,-0.8 -119,-0.0 -116,-0.0 -3,-0.0 -0.976 360.0 360.0-128.3 360.0 16.2 19.9 20.9