==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-NOV-96 1KXW . 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) . 6615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 26 20.2 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 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 81 0, 0.0 39,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 137.1 2.4 10.6 9.3 2 2 A V B -A 39 0A 102 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.902 360.0-147.0-102.0 108.2 2.4 14.0 7.4 3 3 A F - 0 0 12 35,-3.0 2,-0.3 -2,-0.7 3,-0.0 -0.323 7.3-126.2 -73.3 154.9 -1.1 15.3 7.4 4 4 A G > - 0 0 34 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.690 31.6-108.9 -93.2 157.6 -2.7 17.4 4.7 5 5 A R H > S+ 0 0 83 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.940 116.4 35.4 -51.3 -57.4 -4.2 20.7 5.7 6 6 A a H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 114.2 56.6 -71.1 -33.6 -7.9 19.7 5.3 7 7 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 110.6 45.5 -63.2 -41.5 -7.4 16.1 6.4 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.917 109.6 54.4 -66.8 -44.8 -6.0 17.3 9.7 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.927 110.9 46.7 -54.1 -45.4 -8.8 19.9 10.1 10 10 A A H X S+ 0 0 43 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.888 112.5 48.8 -66.3 -40.8 -11.3 17.1 9.8 11 11 A A H X S+ 0 0 13 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.889 113.0 47.7 -67.0 -39.8 -9.5 14.8 12.2 12 12 A M H <>S+ 0 0 2 -4,-2.9 5,-2.4 2,-0.2 6,-0.3 0.913 112.2 49.6 -66.7 -42.4 -9.2 17.6 14.8 13 13 A K H ><5S+ 0 0 76 -4,-2.5 3,-2.3 -5,-0.3 -2,-0.2 0.943 108.9 52.0 -61.5 -45.5 -12.9 18.5 14.4 14 14 A R H 3<5S+ 0 0 176 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.0 55.1 -60.1 -30.8 -13.9 14.9 14.8 15 15 A H T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.267 122.1-108.0 -88.5 14.5 -11.9 14.9 18.0 16 16 A G T < 5S+ 0 0 34 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.1 0.685 82.5 124.5 70.9 22.5 -13.8 17.9 19.4 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.4 2,-0.1 2,-0.3 0.742 36.0 109.7 -83.1 -25.1 -11.1 20.5 19.0 18 18 A D T 3 S- 0 0 64 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.387 103.7 -11.2 -58.8 111.8 -13.2 22.9 16.9 19 19 A N T > S+ 0 0 105 4,-1.6 3,-2.0 -2,-0.3 2,-0.4 0.625 88.3 165.6 66.9 24.8 -13.9 25.8 19.2 20 20 A Y B X S-B 23 0B 70 -3,-2.4 3,-1.5 3,-0.6 -1,-0.2 -0.531 78.9 -4.1 -72.4 121.6 -12.6 24.0 22.3 21 21 A R T 3 S- 0 0 149 -2,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.789 135.1 -59.6 62.7 28.2 -12.2 26.7 25.0 22 22 A G T < S+ 0 0 54 -3,-2.0 2,-0.5 1,-0.2 -1,-0.3 0.499 103.6 130.5 83.6 2.3 -13.1 29.2 22.4 23 23 A Y B < -B 20 0B 49 -3,-1.5 -4,-1.6 -6,-0.1 -3,-0.6 -0.809 53.0-130.7 -94.9 125.7 -10.3 28.4 19.9 24 24 A S >> - 0 0 32 -2,-0.5 4,-1.7 -5,-0.2 3,-0.5 -0.201 22.2-109.3 -69.1 164.1 -11.4 27.9 16.3 25 25 A L H 3> S+ 0 0 12 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.838 121.2 59.8 -60.1 -33.7 -10.3 25.0 14.1 26 26 A G H 3> S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.851 101.4 52.6 -64.0 -38.5 -8.2 27.5 12.2 27 27 A D H <> S+ 0 0 21 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.952 112.4 44.7 -61.3 -46.5 -6.3 28.3 15.4 28 28 A W H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.883 115.1 46.6 -65.5 -42.6 -5.5 24.6 16.0 29 29 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.910 112.6 50.6 -68.3 -38.8 -4.6 23.9 12.3 30 30 A b H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.899 110.5 50.7 -63.7 -41.0 -2.4 27.0 12.2 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.907 110.4 47.7 -63.5 -43.7 -0.7 25.9 15.4 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-1.1 0.914 109.5 54.9 -64.9 -42.1 0.0 22.4 14.0 33 33 A K H X5S+ 0 0 62 -4,-2.4 4,-1.6 4,-0.2 -2,-0.2 0.960 116.6 35.0 -53.8 -56.2 1.4 23.8 10.8 34 34 A F H <5S+ 0 0 61 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.646 119.0 50.2 -78.6 -14.7 3.9 26.0 12.5 35 35 A E H <5S- 0 0 32 -4,-1.6 -2,-0.2 20,-0.2 -3,-0.2 0.907 138.2 -7.0 -87.0 -44.4 4.8 23.7 15.3 36 36 A S H ><5S- 0 0 12 -4,-2.4 3,-1.1 19,-0.4 -3,-0.2 0.371 86.4-113.7-133.2 -1.6 5.5 20.5 13.3 37 37 A N T 3< - 0 0 53 4,-3.2 3,-1.5 -2,-0.3 -1,-0.0 -0.606 23.4-113.8-102.7 162.6 15.2 22.2 24.0 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.807 114.8 63.7 -66.1 -29.0 18.1 23.8 25.8 48 48 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.422 121.9-107.5 -74.3 3.7 16.7 22.9 29.2 49 49 A G S < S+ 0 0 24 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.243 83.8 119.9 92.0 -16.5 17.1 19.3 28.2 50 50 A S - 0 0 0 -5,-0.1 -4,-3.2 19,-0.1 2,-0.3 -0.302 53.5-139.0 -74.5 170.0 13.3 18.7 27.7 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.966 2.7-135.4-134.4 144.4 12.0 17.6 24.3 52 52 A D E -CD 44 59C 28 -8,-3.2 -8,-1.8 -2,-0.3 2,-0.4 -0.878 27.0-159.5 -99.1 135.2 8.9 18.6 22.3 53 53 A Y E > -CD 43 58C 25 5,-2.2 5,-2.2 -2,-0.4 3,-0.4 -0.941 31.2 -14.9-125.4 139.5 6.9 15.8 20.6 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.9 -2,-0.4 30,-0.2 -0.064 96.7 -33.4 81.3-177.5 4.4 15.4 17.8 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.768 141.4 36.1 -53.6 -32.2 2.1 17.4 15.7 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.290 106.0-125.3-108.0 9.2 1.5 19.9 18.5 57 57 A Q T < 5 - 0 0 12 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.892 33.0-165.5 47.9 56.4 5.0 19.8 20.0 58 58 A I E < -D 53 0C 1 -5,-2.2 -5,-2.2 -6,-0.1 2,-0.2 -0.535 18.5-118.9 -76.7 129.6 4.0 18.8 23.5 59 59 A N E >>> -D 52 0C 30 -2,-0.3 4,-2.0 -7,-0.2 5,-0.7 -0.506 7.4-146.3 -78.4 135.9 6.8 19.3 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.4 -2,-0.2 6,-0.2 0.652 90.1 71.6 -72.3 -20.4 8.4 16.5 28.2 61 61 A R T 345S+ 0 0 55 -10,-0.2 12,-1.8 11,-0.2 -1,-0.2 0.864 121.6 5.3 -66.5 -31.0 9.1 18.6 31.3 62 62 A W T <45S+ 0 0 123 -3,-0.6 13,-3.4 10,-0.2 -2,-0.2 0.745 131.4 38.5-120.1 -36.7 5.4 18.9 32.2 63 63 A W T <5S+ 0 0 28 -4,-2.0 13,-2.2 11,-0.3 15,-0.4 0.797 108.4 21.0 -98.0 -33.4 3.1 16.8 29.9 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 11,-0.1 10,-0.4 -0.922 67.3-116.0-138.2 162.1 4.6 13.5 29.0 65 65 A N B +e 79 0D 78 13,-2.6 15,-2.1 -2,-0.3 16,-0.4 -0.896 32.5 161.7-102.6 118.9 7.2 11.0 30.2 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 -6,-0.2 -5,-0.0 0.249 52.6-121.2-113.0 3.9 10.2 10.4 27.9 67 67 A G S S+ 0 0 66 2,-0.2 -2,-0.1 -7,-0.1 -7,-0.0 0.453 98.5 71.3 72.6 1.1 12.4 8.9 30.6 68 68 A R + 0 0 126 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.137 69.7 89.9-135.5 21.5 15.1 11.5 30.1 69 69 A T > - 0 0 10 -9,-0.1 3,-1.2 -19,-0.0 -2,-0.2 -0.907 67.3-144.7-120.8 99.0 13.7 14.7 31.5 70 70 A P T 3 S+ 0 0 110 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.389 85.9 24.1 -63.1 139.2 14.5 15.1 35.3 71 71 A G T 3 S+ 0 0 68 1,-0.2 2,-0.2 2,-0.0 0, 0.0 0.742 84.0 163.1 79.1 21.2 11.7 16.8 37.1 72 72 A S < - 0 0 35 -3,-1.2 -10,-0.2 1,-0.1 -1,-0.2 -0.562 27.7-163.4 -73.8 136.3 9.0 15.8 34.6 73 73 A R - 0 0 152 -12,-1.8 -11,-0.2 -2,-0.2 -1,-0.1 0.680 13.5-154.2 -92.3 -21.9 5.5 16.1 35.9 74 74 A N > + 0 0 36 -10,-0.4 3,-1.8 -14,-0.4 -11,-0.3 0.882 22.0 173.7 45.6 54.7 3.8 13.9 33.1 75 75 A L T 3 S+ 0 0 47 -13,-3.4 -12,-0.2 1,-0.3 -11,-0.1 0.669 74.2 51.6 -66.7 -17.3 0.5 15.7 33.5 76 76 A d T 3 S- 0 0 20 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.435 104.2-132.4 -97.8 0.2 -1.1 13.8 30.6 77 77 A N < + 0 0 140 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.898 64.7 112.7 50.4 54.4 0.0 10.5 32.0 78 78 A I S S- 0 0 33 -15,-0.4 -13,-2.6 12,-0.0 2,-0.2 -0.988 73.6-105.5-150.5 151.1 1.5 9.1 28.8 79 79 A P B > -e 65 0D 68 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.590 36.9-122.0 -75.5 143.1 4.9 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.1 3,-1.9 1,-0.3 4,-0.2 0.830 108.6 69.5 -56.9 -28.2 5.9 11.0 25.0 81 81 A S G > S+ 0 0 85 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.793 86.8 66.3 -61.6 -26.8 6.3 8.3 22.2 82 82 A A G X S+ 0 0 33 -3,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.737 92.6 63.8 -66.0 -19.5 2.5 8.0 22.2 83 83 A L G < S+ 0 0 2 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.551 93.6 59.8 -82.6 -6.0 2.4 11.5 20.9 84 84 A L G < S+ 0 0 43 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.385 78.8 121.7-102.6 2.1 4.1 10.7 17.6 85 85 A S S < S- 0 0 57 -3,-0.7 6,-0.1 2,-0.2 -3,-0.0 -0.158 73.9-120.6 -62.8 155.2 1.5 8.2 16.4 86 86 A S S S+ 0 0 75 2,-0.0 2,-0.7 1,-0.0 -1,-0.1 0.802 102.3 75.7 -67.0 -27.9 -0.4 8.5 13.1 87 87 A D S S- 0 0 87 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.786 73.3-158.1 -85.3 119.6 -3.6 8.6 15.2 88 88 A I > + 0 0 5 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.451 62.2 105.6 -80.8 -1.2 -3.8 12.0 16.9 89 89 A T H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.899 82.3 46.2 -45.9 -51.2 -6.1 11.1 19.8 90 90 A A H > S+ 0 0 27 -3,-0.5 4,-2.0 -8,-0.2 -1,-0.2 0.895 113.7 48.4 -62.0 -43.2 -3.4 11.2 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.4 -9,-0.2 -1,-0.2 0.926 114.3 47.6 -63.2 -40.6 -2.0 14.5 21.1 92 92 A V H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.932 110.6 49.9 -66.7 -46.4 -5.5 15.9 21.1 93 93 A N H X S+ 0 0 86 -4,-3.1 4,-0.9 -5,-0.2 -1,-0.2 0.867 114.7 44.8 -60.3 -38.7 -6.4 14.7 24.6 94 94 A d H >X S+ 0 0 3 -4,-2.0 4,-2.1 -5,-0.2 3,-0.5 0.909 109.1 55.1 -72.5 -42.3 -3.2 16.2 26.1 95 95 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.852 101.9 59.4 -59.0 -34.4 -3.6 19.5 24.2 96 96 A K H 3X S+ 0 0 45 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.897 107.3 45.6 -62.5 -37.8 -7.1 19.9 25.7 97 97 A K H << S+ 0 0 111 -4,-0.9 4,-0.3 -3,-0.5 -2,-0.2 0.887 113.9 49.3 -70.7 -41.0 -5.5 19.8 29.2 98 98 A I H >< S+ 0 0 9 -4,-2.1 3,-1.8 1,-0.2 5,-0.4 0.961 110.3 48.8 -63.0 -50.9 -2.7 22.2 28.2 99 99 A V H 3< S+ 0 0 3 -4,-3.2 5,-0.4 1,-0.3 3,-0.4 0.711 109.6 53.4 -63.8 -22.2 -5.1 24.7 26.6 100 100 A S T 3< S+ 0 0 35 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.505 82.4 99.7 -88.4 -3.5 -7.3 24.6 29.8 101 101 A D S < S- 0 0 96 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.292 104.7 -96.1 -68.7 6.1 -4.2 25.4 31.9 102 102 A G S S+ 0 0 65 -3,-0.4 -1,-0.1 1,-0.0 -3,-0.1 0.179 114.7 67.9 102.2 -19.5 -4.9 29.1 32.3 103 103 A N S > S- 0 0 111 -5,-0.4 3,-1.6 1,-0.3 4,-0.2 0.293 83.1-152.6-116.6 10.8 -2.8 30.6 29.5 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.2 1,-0.2 -1,-0.3 -0.176 64.1 -21.1 52.4-145.6 -4.8 29.2 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.468 114.5 92.2 -76.1 -0.4 -3.0 28.6 23.3 106 106 A N G < + 0 0 46 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.675 70.0 78.2 -66.7 -13.6 -0.2 31.1 24.3 107 107 A A G < S+ 0 0 59 -3,-1.2 2,-0.7 -4,-0.2 -1,-0.3 0.654 83.1 69.7 -65.7 -21.3 1.4 27.9 25.6 108 108 A W S <> S- 0 0 8 -3,-2.1 4,-2.2 1,-0.1 3,-0.5 -0.911 73.7-160.2-102.4 108.5 2.4 27.2 22.0 109 109 A V H > S+ 0 0 74 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.818 89.3 54.6 -59.2 -35.4 5.0 29.7 21.0 110 110 A A H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.5 0.875 109.0 49.3 -68.1 -35.4 4.5 29.3 17.3 111 111 A W H >>S+ 0 0 12 -3,-0.5 5,-3.4 -6,-0.2 4,-2.0 0.940 113.2 45.8 -66.5 -47.3 0.7 30.0 17.7 112 112 A R H <5S+ 0 0 106 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.951 122.5 37.2 -61.0 -44.1 1.4 33.1 19.8 113 113 A N H <5S+ 0 0 118 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.747 133.7 18.4 -82.6 -23.3 4.1 34.3 17.3 114 114 A R H <5S+ 0 0 148 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.592 130.5 30.4-126.3 -13.1 2.6 33.2 14.0 115 115 A b T ><5S+ 0 0 0 -4,-2.0 3,-2.3 -5,-0.5 -3,-0.2 0.764 85.0 100.8-114.4 -44.5 -1.1 32.6 14.4 116 116 A K T 3 + 0 0 79 -2,-0.2 3,-1.5 1,-0.2 4,-0.3 -0.544 52.8 172.3 -75.8 80.8 -6.8 35.5 9.7 120 120 A V G > + 0 0 11 -2,-2.2 3,-1.4 1,-0.3 4,-0.3 0.700 64.1 78.2 -68.0 -15.6 -6.7 32.0 11.0 121 121 A Q G >> S+ 0 0 108 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.786 78.1 73.2 -62.9 -25.5 -9.8 31.1 9.0 122 122 A A G X4 S+ 0 0 40 -3,-1.5 3,-0.8 1,-0.3 -1,-0.3 0.849 84.9 67.5 -57.6 -32.8 -7.6 30.8 5.9 123 123 A W G <4 S+ 0 0 57 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.657 108.9 32.8 -64.2 -20.7 -6.3 27.6 7.4 124 124 A I G X4 S+ 0 0 49 -3,-1.6 3,-2.0 -4,-0.3 -1,-0.3 0.374 88.6 129.9-114.9 2.7 -9.5 25.7 6.9 125 125 A R T << S+ 0 0 138 -3,-0.8 3,-0.1 -4,-0.7 -119,-0.0 -0.228 74.8 17.3 -56.7 138.7 -10.6 27.6 3.8 126 126 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -120,-0.0 2,-0.2 0.314 95.2 131.8 81.0 -8.4 -11.6 25.2 1.0 127 127 A a < - 0 0 24 -3,-2.0 2,-1.0 1,-0.1 -1,-0.2 -0.505 60.1-129.7 -84.4 145.5 -12.1 22.2 3.3 128 128 A R 0 0 244 -2,-0.2 -1,-0.1 1,-0.2 -118,-0.1 -0.795 360.0 360.0 -90.1 102.0 -15.1 19.9 3.3 129 129 A L 0 0 98 -2,-1.0 -1,-0.2 -5,-0.0 -2,-0.0 0.620 360.0 360.0-121.3 360.0 -15.9 19.9 7.0