==== 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 1UIG . 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) . 6619.0 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 88 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.4 2.4 10.5 9.2 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.903 360.0-147.3-100.9 107.6 2.5 13.9 7.4 3 3 A F - 0 0 14 35,-2.9 2,-0.3 -2,-0.7 3,-0.0 -0.310 7.8-124.3 -72.9 156.6 -1.1 15.2 7.4 4 4 A G > - 0 0 34 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.684 31.4-108.9 -93.8 157.1 -2.6 17.2 4.6 5 5 A R H > S+ 0 0 83 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.946 117.2 35.9 -50.7 -58.9 -4.2 20.6 5.6 6 6 A a H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 114.2 57.7 -68.7 -32.0 -7.8 19.6 5.1 7 7 A E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 110.4 43.8 -62.7 -44.5 -7.3 16.0 6.3 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.909 109.4 56.2 -65.9 -46.8 -5.9 17.3 9.7 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.1 46.3 -50.3 -48.0 -8.7 19.9 10.0 10 10 A A H X S+ 0 0 43 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.861 111.9 49.7 -66.0 -39.7 -11.3 17.1 9.7 11 11 A A H X S+ 0 0 20 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.885 113.3 46.4 -66.8 -41.4 -9.5 14.8 12.2 12 12 A M H <>S+ 0 0 1 -4,-2.7 5,-2.5 2,-0.2 6,-0.3 0.897 112.4 50.6 -66.3 -41.6 -9.2 17.6 14.8 13 13 A K H ><5S+ 0 0 81 -4,-2.4 3,-2.3 -5,-0.3 -2,-0.2 0.957 109.4 50.6 -60.6 -48.1 -12.9 18.6 14.2 14 14 A R H 3<5S+ 0 0 184 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 108.2 54.9 -58.1 -32.2 -13.9 14.9 14.7 15 15 A H T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.285 122.5-106.8 -87.6 13.2 -11.9 15.0 17.9 16 16 A G T < 5S+ 0 0 38 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.705 81.5 125.9 73.2 23.3 -13.8 18.0 19.2 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.6 2,-0.1 2,-0.2 0.808 37.1 105.9 -82.2 -29.4 -11.1 20.7 18.8 18 18 A D T 3 S- 0 0 68 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.348 105.1 -8.4 -55.6 114.5 -13.2 23.1 16.8 19 19 A N T > S+ 0 0 92 4,-1.7 3,-2.2 1,-0.3 -1,-0.3 0.534 87.5 162.1 69.8 15.0 -14.0 25.9 19.2 20 20 A Y B X S-B 23 0B 52 -3,-2.6 3,-1.8 3,-0.6 -1,-0.3 -0.468 80.4 -4.2 -67.0 123.5 -12.6 24.1 22.2 21 21 A R T 3 S- 0 0 143 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.797 135.0 -58.8 59.8 31.6 -12.1 26.8 24.9 22 22 A G T < S+ 0 0 60 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.536 104.4 129.7 80.7 5.2 -13.2 29.4 22.3 23 23 A Y B < -B 20 0B 48 -3,-1.8 -4,-1.7 -6,-0.2 -3,-0.6 -0.838 52.5-136.5-100.7 114.4 -10.5 28.6 19.7 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.5 -5,-0.2 4,-0.9 -0.195 27.4-104.5 -61.3 157.5 -11.8 28.0 16.2 25 25 A L H 3> S+ 0 0 3 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.808 117.5 66.6 -52.2 -38.0 -10.4 25.1 14.2 26 26 A G H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.846 97.2 55.6 -55.0 -35.7 -8.3 27.5 12.1 27 27 A N H <> S+ 0 0 20 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.919 109.3 45.4 -62.2 -46.7 -6.2 28.2 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.2 -2,-0.2 0.844 114.1 47.6 -66.3 -40.5 -5.4 24.5 15.8 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.896 113.0 50.0 -70.3 -38.3 -4.5 23.8 12.1 30 30 A b H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.921 110.9 48.8 -64.3 -45.5 -2.3 26.9 12.1 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.899 111.4 49.0 -61.0 -43.3 -0.5 25.9 15.3 32 32 A A H X>S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 6,-1.2 0.911 108.5 55.9 -62.9 -42.1 0.1 22.4 13.9 33 33 A K H X5S+ 0 0 63 -4,-2.2 4,-1.3 4,-0.2 -2,-0.2 0.948 117.0 32.9 -54.5 -54.5 1.4 23.8 10.7 34 34 A F H <5S+ 0 0 62 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.700 119.4 52.0 -81.1 -17.7 4.1 26.0 12.4 35 35 A E H <5S- 0 0 31 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.940 137.7 -7.4 -83.0 -44.6 4.8 23.6 15.2 36 36 A S H ><5S- 0 0 11 -4,-2.5 3,-1.0 19,-0.4 -3,-0.2 0.406 85.7-114.0-131.8 -6.7 5.5 20.5 13.3 37 37 A N T 3< - 0 0 59 4,-3.3 3,-1.7 -2,-0.3 -1,-0.0 -0.637 25.2-107.1-107.2 166.6 15.2 22.3 24.1 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.860 117.5 61.0 -59.5 -37.9 18.1 23.9 25.9 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.458 121.1-106.6 -70.6 0.6 16.7 22.9 29.3 49 49 A G S < S+ 0 0 20 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.283 83.6 118.1 94.7 -14.9 17.0 19.2 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.313 53.6-138.7 -78.1 172.7 13.3 18.6 27.7 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.3 -3,-0.1 2,-0.4 -0.961 4.0-131.8-135.5 149.1 11.9 17.6 24.3 52 52 A D E -CD 44 59C 27 -8,-3.0 -8,-1.5 -2,-0.3 2,-0.4 -0.886 27.4-151.8-102.8 134.6 8.8 18.6 22.3 53 53 A Y E > -CD 43 58C 24 5,-2.3 5,-2.1 -2,-0.4 3,-0.4 -0.910 31.4 -35.7-119.7 134.5 6.8 15.8 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.2 3,-2.0 -2,-0.4 30,-0.2 -0.007 97.6 -17.7 72.2-165.7 4.5 15.4 17.7 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.782 141.6 31.4 -48.9 -41.3 2.0 17.3 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.237 105.6-123.8-108.2 14.8 1.5 19.9 18.5 57 57 A Q T < 5 - 0 0 12 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.870 34.0-164.5 44.6 55.6 5.0 19.7 19.9 58 58 A I E < -D 53 0C 1 -5,-2.1 -5,-2.3 -6,-0.1 2,-0.2 -0.492 18.1-118.2 -73.7 128.5 4.0 18.9 23.5 59 59 A N E >>> -D 52 0C 29 -2,-0.3 4,-1.9 -7,-0.2 5,-0.7 -0.465 7.4-146.8 -74.2 139.3 6.8 19.4 26.0 60 60 A S T 345S+ 0 0 0 -9,-2.3 14,-0.4 1,-0.2 6,-0.2 0.625 89.8 73.4 -76.9 -18.4 8.2 16.6 28.1 61 61 A R T 345S+ 0 0 54 -10,-0.2 12,-1.8 11,-0.2 -1,-0.2 0.881 120.8 4.5 -64.8 -34.3 8.9 18.8 31.2 62 62 A W T <45S+ 0 0 117 -3,-0.5 13,-3.3 10,-0.3 -2,-0.2 0.742 131.4 40.0-119.1 -34.6 5.2 19.0 32.1 63 63 A W T <5S+ 0 0 27 -4,-1.9 13,-2.1 11,-0.3 15,-0.3 0.787 108.3 17.1 -98.8 -30.2 3.0 16.9 29.9 64 64 A c < - 0 0 0 -5,-0.7 2,-0.5 11,-0.1 10,-0.5 -0.911 67.1-114.6-141.9 165.4 4.5 13.5 29.0 65 65 A N B +e 79 0D 78 13,-2.4 15,-2.5 -2,-0.3 16,-0.4 -0.914 30.6 163.9-107.4 125.5 7.2 11.1 30.2 66 66 A D - 0 0 36 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.229 53.5-119.7-117.1 7.0 10.1 10.4 27.9 67 67 A G S S+ 0 0 63 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.505 99.0 72.5 68.7 6.7 12.3 8.9 30.7 68 68 A R + 0 0 121 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.100 66.6 91.9-139.3 25.0 15.0 11.5 30.2 69 69 A T > - 0 0 12 -9,-0.1 3,-2.3 -19,-0.0 -2,-0.1 -0.876 69.4-138.7-123.6 96.5 13.7 14.8 31.6 70 70 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.326 88.7 13.4 -55.8 124.7 14.6 15.2 35.3 71 71 A G T 3 S+ 0 0 68 1,-0.2 -10,-0.0 -2,-0.0 0, 0.0 0.466 83.9 160.5 89.0 0.0 11.6 16.7 37.1 72 72 A S < - 0 0 28 -3,-2.3 -10,-0.3 1,-0.1 -1,-0.2 -0.234 29.8-154.9 -52.3 145.4 9.0 16.1 34.3 73 73 A R - 0 0 149 -12,-1.8 -11,-0.2 -9,-0.1 -1,-0.1 0.649 11.0-149.7-100.2 -15.4 5.5 16.1 35.7 74 74 A N > + 0 0 38 -10,-0.5 3,-2.0 -14,-0.4 -11,-0.3 0.852 25.7 171.4 45.2 51.0 3.7 14.0 33.1 75 75 A L T 3 S+ 0 0 53 -13,-3.3 -12,-0.2 1,-0.3 -11,-0.1 0.732 75.2 51.1 -62.0 -24.2 0.4 15.8 33.5 76 76 A d T 3 S- 0 0 13 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.503 103.6-134.1 -91.5 -4.1 -1.1 14.0 30.5 77 77 A N < + 0 0 131 -3,-2.0 -13,-0.1 -14,-0.2 -2,-0.1 0.913 63.5 110.5 51.0 58.4 -0.1 10.6 31.9 78 78 A I S S- 0 0 35 -15,-0.3 -13,-2.4 16,-0.0 2,-0.3 -0.984 74.6-102.6-154.6 151.6 1.4 9.1 28.7 79 79 A P B > -e 65 0D 71 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.616 37.3-121.6 -75.4 140.8 4.8 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.5 3,-1.6 1,-0.3 4,-0.2 0.810 109.0 69.7 -54.7 -29.5 5.9 10.9 24.9 81 81 A S G > S+ 0 0 84 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.776 86.8 66.8 -60.1 -26.4 6.2 8.3 22.1 82 82 A A G X S+ 0 0 34 -3,-2.0 3,-1.1 1,-0.3 -1,-0.3 0.796 92.1 62.2 -64.0 -28.2 2.4 8.0 22.2 83 83 A L G < S+ 0 0 2 -3,-1.6 -28,-0.6 -4,-0.5 -1,-0.3 0.526 95.1 61.2 -75.2 -6.5 2.3 11.6 20.9 84 84 A L G < S+ 0 0 45 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.370 78.9 120.5-102.3 3.0 4.1 10.6 17.7 85 85 A S S < S- 0 0 56 -3,-1.1 6,-0.1 2,-0.2 -3,-0.0 -0.216 73.1-123.9 -65.7 154.7 1.4 8.1 16.5 86 86 A S S S+ 0 0 73 2,-0.0 2,-0.7 -45,-0.0 -1,-0.1 0.734 101.3 76.2 -70.5 -22.6 -0.4 8.5 13.2 87 87 A D S S- 0 0 89 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.825 74.6-157.8 -88.4 119.5 -3.6 8.5 15.2 88 88 A I > + 0 0 6 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.449 61.3 107.1 -83.2 4.8 -3.8 12.0 16.8 89 89 A T H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 81.4 44.4 -50.4 -48.1 -6.1 11.1 19.7 90 90 A A H > S+ 0 0 27 -3,-0.5 4,-2.3 -8,-0.2 5,-0.2 0.905 113.3 50.0 -65.9 -43.1 -3.5 11.3 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.936 114.1 47.2 -60.3 -42.5 -2.0 14.5 21.1 92 92 A V H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.909 110.9 49.4 -65.5 -45.2 -5.5 16.0 21.0 93 93 A N H X S+ 0 0 74 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.899 114.8 45.1 -62.8 -40.3 -6.5 14.8 24.5 94 94 A d H >X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 3,-0.6 0.927 108.9 55.6 -68.9 -42.9 -3.3 16.2 26.0 95 95 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.3 5,-0.2 0.863 102.6 58.2 -58.2 -36.6 -3.7 19.5 24.0 96 96 A K H 3X S+ 0 0 46 -4,-1.9 4,-1.0 1,-0.2 -1,-0.3 0.892 108.2 45.1 -61.5 -39.2 -7.1 19.9 25.6 97 97 A K H << S+ 0 0 104 -4,-1.1 4,-0.4 -3,-0.6 3,-0.2 0.917 113.7 49.9 -69.4 -44.4 -5.6 19.8 29.1 98 98 A I H >< S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 5,-0.4 0.953 110.5 48.6 -58.8 -50.4 -2.8 22.2 28.1 99 99 A V H 3< S+ 0 0 5 -4,-3.2 5,-0.4 1,-0.3 3,-0.4 0.731 109.8 52.8 -66.1 -21.5 -5.2 24.8 26.5 100 100 A S T 3< S+ 0 0 43 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.481 82.6 99.3 -89.1 -2.5 -7.4 24.7 29.6 101 101 A D S < S- 0 0 98 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 0.440 104.8 -97.0 -66.3 -3.0 -4.3 25.4 31.8 102 102 A G S S+ 0 0 68 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.093 114.6 68.4 111.3 -27.9 -5.0 29.1 32.2 103 103 A N S > S- 0 0 110 -5,-0.4 3,-1.5 1,-0.3 4,-0.2 0.303 82.6-156.6-107.7 9.9 -2.8 30.6 29.4 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.3 1,-0.2 -1,-0.3 -0.144 62.9 -15.8 53.8-142.5 -4.8 29.2 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.1 7,-0.3 0.515 115.4 88.2 -74.9 -3.5 -3.1 28.8 23.2 106 106 A N G < + 0 0 48 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 69.9 81.0 -66.0 -15.0 -0.2 31.1 24.2 107 107 A A G < S+ 0 0 57 -3,-1.3 2,-0.8 -4,-0.2 -1,-0.3 0.716 82.9 68.5 -61.6 -24.2 1.3 27.8 25.5 108 108 A W S <> S- 0 0 10 -3,-1.9 4,-2.3 1,-0.2 3,-0.5 -0.889 72.9-160.6-103.7 107.9 2.3 27.2 21.9 109 109 A V H > S+ 0 0 76 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.834 91.0 52.3 -55.2 -38.5 5.0 29.7 21.0 110 110 A A H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.868 109.3 50.6 -69.2 -33.5 4.5 29.3 17.2 111 111 A W H >>S+ 0 0 11 -3,-0.5 5,-3.2 -6,-0.2 4,-2.2 0.944 112.3 47.0 -65.5 -47.9 0.8 29.9 17.7 112 112 A R H <5S+ 0 0 102 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.926 121.3 35.5 -59.8 -45.3 1.5 33.1 19.6 113 113 A N H <5S+ 0 0 119 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.688 133.3 21.2 -86.0 -18.8 4.1 34.4 17.1 114 114 A R H <5S+ 0 0 147 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.552 130.0 28.6-129.2 -10.4 2.6 33.3 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.4 -3,-0.2 0.729 84.9 102.8-117.4 -44.3 -1.1 32.6 14.2 116 116 A K T 3 + 0 0 91 1,-0.2 3,-1.9 -2,-0.2 4,-0.3 -0.485 52.6 172.9 -78.8 78.5 -6.9 35.3 9.6 120 120 A V G > + 0 0 9 -2,-2.3 3,-1.7 1,-0.3 4,-0.3 0.732 65.7 78.4 -61.2 -18.5 -6.8 31.8 10.9 121 121 A Q G >> S+ 0 0 113 1,-0.3 3,-1.9 -3,-0.2 4,-0.7 0.843 79.2 70.2 -58.5 -33.3 -9.9 31.1 8.9 122 122 A A G X4 S+ 0 0 36 -3,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.801 86.2 68.2 -56.3 -27.8 -7.7 30.8 5.8 123 123 A W G <4 S+ 0 0 56 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.676 108.7 33.3 -68.0 -20.5 -6.3 27.5 7.2 124 124 A I G X4 S+ 0 0 52 -3,-1.9 3,-1.9 -4,-0.3 -1,-0.2 0.397 88.7 127.1-113.9 2.3 -9.6 25.6 6.8 125 125 A R T << S+ 0 0 177 -4,-0.7 3,-0.1 -3,-0.6 -119,-0.0 -0.302 74.6 19.3 -62.5 137.0 -10.7 27.4 3.7 126 126 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -120,-0.0 2,-0.2 0.301 95.3 126.4 87.4 -7.7 -11.6 25.0 0.9 127 127 A a < - 0 0 23 -3,-1.9 2,-1.0 1,-0.0 -1,-0.3 -0.571 63.2-126.1 -88.8 147.6 -12.0 22.0 3.1 128 128 A R 0 0 240 -2,-0.2 -118,-0.1 1,-0.2 -1,-0.0 -0.803 360.0 360.0 -90.8 103.2 -15.1 19.8 3.3 129 129 A L 0 0 95 -2,-1.0 -1,-0.2 -5,-0.0 -2,-0.0 0.662 360.0 360.0-115.6 360.0 -16.0 19.8 7.0