==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-00 1FN5 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.MASUMOTO,T.UEDA,H.MOTOSHIMA,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6500.0 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 . 27 20.9 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 87 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 130.5 2.2 10.3 9.3 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.920 360.0-144.3 -99.0 114.4 2.3 13.7 7.5 3 3 A F - 0 0 13 35,-2.9 2,-0.3 -2,-0.7 3,-0.0 -0.368 7.4-123.0 -78.7 156.5 -1.3 14.9 7.4 4 4 A G > - 0 0 34 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.649 32.1-112.5 -89.8 155.7 -3.0 16.9 4.7 5 5 A R H > S+ 0 0 84 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.935 115.8 37.2 -56.3 -53.4 -4.5 20.2 5.8 6 6 A a H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 114.1 58.2 -70.7 -31.9 -8.1 19.3 5.3 7 7 A E H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.931 109.5 43.0 -61.9 -47.8 -7.5 15.8 6.5 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.886 110.6 56.6 -65.6 -40.9 -6.1 17.0 9.9 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.947 108.7 47.3 -56.3 -45.6 -8.9 19.6 10.2 10 10 A A H X S+ 0 0 46 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.870 112.5 47.9 -65.8 -38.0 -11.5 16.8 9.9 11 11 A A H X S+ 0 0 13 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.864 112.5 49.3 -72.3 -35.6 -9.8 14.6 12.4 12 12 A M H <>S+ 0 0 1 -4,-2.6 5,-2.2 2,-0.2 6,-0.3 0.916 111.8 48.9 -67.5 -41.3 -9.5 17.5 14.9 13 13 A K H ><5S+ 0 0 84 -4,-2.6 3,-2.5 -5,-0.2 -2,-0.2 0.952 108.9 52.6 -61.9 -49.1 -13.1 18.4 14.4 14 14 A R H 3<5S+ 0 0 176 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.7 54.0 -54.5 -35.8 -14.1 14.7 14.9 15 15 A H T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.311 122.1-106.4 -84.7 9.8 -12.1 14.8 18.1 16 16 A G T < 5S+ 0 0 36 -3,-2.5 -3,-0.2 -5,-0.0 -2,-0.1 0.754 80.5 126.0 75.7 28.0 -14.0 17.9 19.4 17 17 A L > < + 0 0 0 -5,-2.2 3,-2.5 2,-0.1 2,-0.3 0.712 35.5 108.5 -88.7 -21.4 -11.4 20.6 19.0 18 18 A D T 3 S- 0 0 64 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.428 105.6 -9.5 -60.7 116.1 -13.5 23.1 16.9 19 19 A N T > S+ 0 0 96 4,-1.3 3,-2.1 -2,-0.3 -1,-0.3 0.619 90.4 165.7 66.5 20.6 -14.2 25.9 19.4 20 20 A Y B X S-B 23 0B 55 -3,-2.5 3,-1.8 3,-0.7 -1,-0.2 -0.490 78.7 -7.2 -68.7 122.0 -12.8 23.9 22.3 21 21 A R T 3 S- 0 0 141 1,-0.3 -1,-0.3 -2,-0.3 -2,-0.1 0.791 135.8 -55.7 61.4 27.2 -12.3 26.5 25.0 22 22 A G T < S+ 0 0 66 -3,-2.1 2,-0.7 1,-0.2 -1,-0.3 0.449 106.4 123.2 88.6 -0.6 -13.2 29.2 22.5 23 23 A Y B < -B 20 0B 47 -3,-1.8 -4,-1.3 -6,-0.2 -3,-0.7 -0.850 54.6-137.1-101.7 115.5 -10.6 28.5 19.8 24 24 A S >> - 0 0 39 -2,-0.7 3,-1.2 -5,-0.2 4,-0.9 -0.159 29.1-100.4 -63.7 162.9 -12.0 27.8 16.4 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.793 118.2 65.2 -53.6 -36.2 -10.6 25.0 14.2 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.866 98.7 54.7 -58.1 -37.9 -8.4 27.3 12.1 27 27 A N H <> S+ 0 0 20 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.910 109.5 45.9 -61.4 -44.2 -6.3 28.1 15.3 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.838 114.8 46.5 -68.8 -40.1 -5.6 24.4 15.9 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 113.5 49.0 -68.6 -45.5 -4.7 23.6 12.2 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.930 111.4 50.7 -57.8 -46.3 -2.5 26.8 12.1 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.931 110.9 46.9 -56.3 -52.1 -0.8 25.7 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 6,-1.2 0.891 109.3 57.2 -58.2 -41.8 -0.1 22.1 14.0 33 33 A K H X5S+ 0 0 54 -4,-2.5 4,-1.3 4,-0.2 -2,-0.2 0.955 115.9 32.2 -55.9 -53.8 1.2 23.6 10.8 34 34 A F H <5S+ 0 0 60 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.683 120.4 51.3 -83.3 -15.6 3.9 25.8 12.4 35 35 A E H <5S- 0 0 33 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.901 138.0 -5.7 -84.7 -44.0 4.6 23.5 15.3 36 36 A S H ><5S- 0 0 11 -4,-2.6 3,-1.0 19,-0.4 -3,-0.2 0.435 85.3-117.1-130.7 -4.8 5.2 20.2 13.4 37 37 A N T 3< - 0 0 56 4,-3.1 3,-1.8 -2,-0.3 -1,-0.0 -0.701 25.7-108.0-111.9 167.8 15.2 21.9 24.2 47 47 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.827 118.4 60.0 -62.7 -34.6 18.0 23.5 26.2 48 48 A D T 3 S- 0 0 71 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.336 121.1-110.2 -75.7 9.7 16.5 22.5 29.5 49 49 A A S < S+ 0 0 34 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.453 81.3 122.7 75.6 1.7 16.8 18.9 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.0 2,-0.3 -0.421 51.7-141.7 -82.9 173.1 13.0 18.4 27.8 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.3 -2,-0.1 2,-0.4 -0.974 4.3-133.1-139.6 144.2 11.7 17.4 24.3 52 52 A D E -CD 44 59C 27 -8,-3.1 -8,-1.6 -2,-0.3 2,-0.4 -0.883 28.0-153.9 -99.2 134.8 8.6 18.4 22.4 53 53 A Y E > -CD 43 58C 24 5,-2.5 5,-2.1 -2,-0.4 3,-0.4 -0.919 30.8 -28.2-122.4 136.8 6.6 15.6 20.8 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.5 -2,-0.4 30,-0.2 -0.081 97.4 -22.1 77.1-167.1 4.3 15.2 17.9 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.781 141.6 32.7 -54.2 -35.3 1.8 17.1 15.8 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.254 105.6-124.4-109.7 12.3 1.3 19.7 18.6 57 57 A Q T < 5 - 0 0 12 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.889 34.7-166.4 46.8 52.7 4.8 19.6 20.0 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.5 -6,-0.1 2,-0.3 -0.545 18.0-118.2 -72.8 131.7 3.8 18.7 23.6 59 59 A N E >>> -D 52 0C 23 -2,-0.3 4,-2.0 -7,-0.2 5,-0.6 -0.521 6.4-145.7 -79.5 136.5 6.6 19.1 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.3 14,-0.3 -2,-0.3 6,-0.3 0.545 89.5 74.2 -73.7 -14.0 8.1 16.3 28.3 61 61 A R T 345S+ 0 0 43 11,-0.2 12,-2.3 -10,-0.2 -1,-0.2 0.894 121.7 1.0 -68.9 -36.1 8.7 18.5 31.4 62 62 A W T <45S+ 0 0 118 -3,-0.6 13,-3.5 10,-0.3 -2,-0.2 0.716 131.6 43.7-121.7 -30.7 5.0 18.7 32.3 63 63 A W T <5S+ 0 0 27 -4,-2.0 13,-1.8 11,-0.3 15,-0.4 0.817 107.9 16.1 -96.8 -30.9 2.8 16.7 30.0 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 11,-0.1 10,-0.4 -0.899 67.2-113.3-141.8 165.9 4.3 13.3 29.1 65 65 A N B +e 79 0D 69 13,-2.6 15,-2.2 -2,-0.3 16,-0.4 -0.908 33.2 159.9-107.8 119.8 6.9 10.9 30.3 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.3 -6,-0.0 0.306 52.3-122.9-113.8 2.2 9.9 10.2 28.1 67 67 A G S S+ 0 0 64 -7,-0.1 -2,-0.1 2,-0.1 -7,-0.0 0.569 97.5 71.7 69.4 12.8 12.1 8.8 30.9 68 68 A R + 0 0 125 -8,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.142 67.0 103.5-145.4 23.0 14.8 11.3 30.3 69 69 A T > - 0 0 14 -9,-0.1 3,-1.6 -19,-0.0 -2,-0.1 -0.938 68.4-123.3-119.5 118.8 13.5 14.7 31.6 70 70 A P T 3 S- 0 0 78 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.332 92.3 -5.2 -57.5 120.0 14.6 16.2 34.9 71 71 A G T 3 S+ 0 0 68 1,-0.2 2,-0.1 -2,-0.1 -10,-0.0 0.764 84.8 175.0 65.6 31.1 11.6 16.9 37.1 72 72 A S < - 0 0 39 -3,-1.6 -10,-0.3 1,-0.1 -1,-0.2 -0.436 20.4-161.6 -69.0 143.0 8.9 15.9 34.6 73 73 A R - 0 0 159 -12,-2.3 -11,-0.2 -2,-0.1 -1,-0.1 0.690 13.6-150.2 -98.4 -21.7 5.4 16.0 36.0 74 74 A N > + 0 0 35 -10,-0.4 3,-1.5 -14,-0.3 -11,-0.3 0.872 25.9 170.0 48.1 55.3 3.5 13.8 33.3 75 75 A L T 3 S+ 0 0 55 -13,-3.5 -12,-0.2 1,-0.3 -11,-0.1 0.789 74.7 51.9 -65.0 -31.6 0.1 15.6 33.7 76 76 A d T 3 S- 0 0 10 -13,-1.8 -1,-0.3 -14,-0.2 -12,-0.1 0.530 103.9-135.3 -83.1 -3.8 -1.4 13.8 30.7 77 77 A N < + 0 0 127 -3,-1.5 -13,-0.1 1,-0.2 -2,-0.1 0.903 62.4 114.2 48.8 56.9 -0.3 10.5 32.2 78 78 A I S S- 0 0 35 -15,-0.4 -13,-2.6 16,-0.0 2,-0.3 -0.984 73.6-103.8-149.4 152.0 1.1 9.1 28.9 79 79 A P B > -e 65 0D 67 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.635 36.1-123.3 -76.8 140.3 4.5 8.1 27.6 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-1.8 -2,-0.3 4,-0.2 0.799 108.0 70.3 -53.8 -29.4 5.7 10.8 25.1 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.787 85.9 68.3 -60.0 -25.9 6.0 8.1 22.4 82 82 A A G X S+ 0 0 32 -3,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.758 90.3 62.6 -64.6 -25.6 2.2 7.9 22.3 83 83 A L G < S+ 0 0 2 -3,-1.8 -28,-0.6 -4,-0.4 -1,-0.3 0.563 94.4 62.3 -78.1 -6.9 2.1 11.5 20.9 84 84 A L G < S+ 0 0 44 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.485 78.4 119.6 -98.1 -3.5 3.9 10.3 17.8 85 85 A S S < S- 0 0 52 -3,-0.9 6,-0.1 -4,-0.2 -3,-0.0 -0.086 73.6-124.6 -59.6 155.7 1.2 7.9 16.7 86 86 A S S S+ 0 0 76 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.709 101.7 76.5 -72.5 -21.4 -0.6 8.2 13.4 87 87 A D S > S- 0 0 87 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.852 73.8-159.0 -90.3 118.0 -3.8 8.3 15.5 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.419 61.6 105.6 -83.2 5.5 -4.0 11.8 17.0 89 89 A T H 3> S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 80.6 47.0 -53.7 -45.9 -6.3 10.9 19.9 90 90 A A H <> S+ 0 0 28 -3,-0.5 4,-1.9 -8,-0.3 -1,-0.2 0.913 114.0 48.6 -63.2 -42.6 -3.6 11.0 22.6 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.4 -9,-0.3 -2,-0.2 0.905 112.4 48.8 -64.2 -40.5 -2.3 14.3 21.3 92 92 A V H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.950 110.6 48.7 -66.4 -45.7 -5.8 15.8 21.2 93 93 A N H X S+ 0 0 79 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.859 114.7 45.9 -61.8 -37.0 -6.7 14.7 24.7 94 94 A d H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.2 3,-0.3 0.907 109.5 53.5 -73.4 -41.8 -3.5 16.1 26.1 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.864 103.8 58.4 -60.0 -35.4 -3.8 19.4 24.2 96 96 A K H X S+ 0 0 45 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.902 108.2 45.3 -62.4 -37.5 -7.3 19.8 25.7 97 97 A K H X S+ 0 0 103 -4,-1.1 4,-0.6 -3,-0.3 3,-0.3 0.917 113.5 49.6 -70.9 -40.9 -5.7 19.7 29.1 98 98 A I H >< S+ 0 0 9 -4,-2.4 3,-1.4 1,-0.2 5,-0.4 0.944 109.2 49.9 -62.8 -50.5 -2.9 22.1 28.2 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.5 1,-0.3 3,-0.4 0.727 109.6 53.4 -63.9 -19.7 -5.3 24.7 26.6 100 100 A S H 3< S+ 0 0 43 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.599 82.8 95.9 -88.9 -11.3 -7.4 24.6 29.8 101 101 A D S << S- 0 0 108 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.1 0.407 107.7 -91.6 -62.9 -1.5 -4.4 25.3 32.0 102 102 A G S S+ 0 0 66 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 -0.038 115.8 67.9 117.7 -35.0 -4.9 29.0 32.2 103 103 A N S > S- 0 0 118 -5,-0.4 3,-1.7 1,-0.3 4,-0.1 0.343 81.2-154.2-102.5 9.7 -2.9 30.5 29.3 104 104 A G G > - 0 0 10 -5,-0.5 3,-1.1 1,-0.2 -1,-0.3 -0.231 66.0 -17.4 55.7-141.3 -5.0 29.1 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.504 115.0 90.6 -77.4 -2.0 -3.2 28.6 23.2 106 106 A N G < + 0 0 40 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.606 69.2 80.5 -66.4 -9.6 -0.3 30.9 24.3 107 107 A A G < S+ 0 0 55 -3,-1.1 2,-0.9 1,-0.2 -1,-0.3 0.762 82.5 69.6 -65.5 -26.5 1.2 27.7 25.6 108 108 A W S X> S- 0 0 8 -3,-2.0 4,-2.2 1,-0.2 3,-0.6 -0.847 72.4-161.8 -99.8 105.4 2.2 27.0 22.0 109 109 A V H 3> S+ 0 0 74 -2,-0.9 4,-2.5 1,-0.3 -1,-0.2 0.828 90.4 53.3 -54.3 -38.0 4.9 29.5 21.1 110 110 A A H 3> S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.5 0.842 109.0 50.6 -69.1 -32.5 4.4 29.0 17.3 111 111 A W H <>>S+ 0 0 12 -3,-0.6 5,-3.5 -6,-0.2 4,-2.1 0.950 112.0 45.7 -66.1 -52.0 0.7 29.8 17.7 112 112 A R H <5S+ 0 0 104 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.920 121.8 39.0 -56.6 -42.7 1.3 33.0 19.7 113 113 A N H <5S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.730 132.9 15.9 -84.0 -24.6 3.9 34.1 17.2 114 114 A R H <5S+ 0 0 141 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.560 131.5 32.5-128.3 -12.4 2.5 33.0 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.1 3,-2.4 -5,-0.5 -3,-0.2 0.757 85.0 102.6-111.8 -43.1 -1.2 32.3 14.2 116 116 A K T 3 + 0 0 81 1,-0.2 3,-1.9 -2,-0.2 4,-0.2 -0.500 52.9 171.8 -79.3 77.7 -6.9 35.1 9.6 120 120 A V G > + 0 0 10 -2,-2.2 3,-1.7 1,-0.3 4,-0.2 0.703 65.2 77.6 -61.5 -19.6 -6.9 31.6 10.9 121 121 A Q G > S+ 0 0 104 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.758 79.2 72.6 -62.0 -23.3 -10.0 30.8 9.0 122 122 A A G X S+ 0 0 38 -3,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.795 84.8 67.6 -62.0 -27.2 -7.8 30.5 5.9 123 123 A W G < S+ 0 0 52 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.619 108.3 34.4 -69.7 -16.4 -6.4 27.2 7.3 124 124 A I G X S+ 0 0 49 -3,-1.5 3,-1.8 -4,-0.2 -1,-0.2 0.310 87.6 129.3-119.2 6.8 -9.7 25.4 6.8 125 125 A R T < S+ 0 0 149 -3,-0.7 3,-0.1 -4,-0.5 -3,-0.0 -0.340 74.8 17.3 -64.0 137.2 -10.8 27.2 3.7 126 126 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -120,-0.0 2,-0.2 0.357 95.6 127.4 83.9 -7.7 -11.8 24.8 0.9 127 127 A a < - 0 0 23 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 -0.589 64.4-127.0 -85.6 147.8 -12.3 21.9 3.2 128 128 A R 0 0 245 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.799 360.0 360.0 -92.1 96.1 -15.4 19.8 3.4 129 129 A L 0 0 98 -2,-1.1 -1,-0.2 -5,-0.1 -5,-0.0 0.774 360.0 360.0-113.4 360.0 -16.1 20.0 7.1