==== 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 1UIE . 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) . 6686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 70.5 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 . 34 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.7 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 85 0, 0.0 39,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 135.0 2.6 10.6 9.0 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.924 360.0-147.4-100.7 106.1 2.6 13.9 7.2 3 3 A F - 0 0 15 35,-2.9 2,-0.2 -2,-0.7 3,-0.0 -0.405 7.2-125.9 -72.5 155.2 -1.0 15.2 7.2 4 4 A G > - 0 0 33 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.642 32.1-107.9 -91.9 160.9 -2.5 17.3 4.5 5 5 A R H > S+ 0 0 88 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.943 117.1 35.4 -53.3 -59.1 -4.2 20.6 5.6 6 6 A a H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.813 114.7 57.0 -68.4 -34.0 -7.8 19.6 5.1 7 7 A E H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 110.6 45.1 -63.0 -41.8 -7.1 16.0 6.2 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.896 108.8 55.8 -67.9 -43.1 -5.8 17.4 9.5 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 108.7 48.4 -56.0 -43.9 -8.6 19.8 9.9 10 10 A A H X S+ 0 0 45 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.918 111.4 48.6 -65.2 -44.3 -11.1 17.0 9.7 11 11 A A H X S+ 0 0 29 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.892 113.6 46.8 -64.1 -40.1 -9.3 14.8 12.2 12 12 A M H <>S+ 0 0 1 -4,-2.6 5,-2.3 2,-0.2 6,-0.3 0.903 112.8 50.1 -68.3 -38.9 -9.0 17.7 14.7 13 13 A K H ><5S+ 0 0 88 -4,-2.6 3,-2.0 -5,-0.3 5,-0.2 0.948 111.0 47.2 -63.2 -48.4 -12.7 18.6 14.2 14 14 A R H 3<5S+ 0 0 223 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.9 60.4 -61.2 -28.9 -13.7 14.9 14.8 15 15 A G T 3<5S- 0 0 25 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.511 121.1-109.1 -77.2 -7.0 -11.4 15.1 17.8 16 16 A G T < 5S+ 0 0 35 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.643 82.6 122.8 88.7 17.5 -13.5 18.0 19.3 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.4 2,-0.1 2,-0.2 0.736 34.1 109.5 -83.9 -23.9 -11.0 20.8 18.8 18 18 A D T 3 S- 0 0 65 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.378 105.7 -11.7 -57.5 118.6 -13.2 23.2 16.7 19 19 A N T > S+ 0 0 92 4,-1.3 3,-2.3 1,-0.2 -1,-0.3 0.606 90.2 164.0 61.0 18.7 -14.0 26.1 19.1 20 20 A Y B X S-B 23 0B 69 -3,-2.4 3,-1.9 3,-0.7 -1,-0.2 -0.495 79.5 -2.8 -67.3 125.7 -12.6 24.1 22.0 21 21 A R T 3 S- 0 0 156 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.777 136.1 -60.4 59.2 27.4 -12.1 26.8 24.7 22 22 A G T < S+ 0 0 62 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.527 104.5 130.9 82.0 4.4 -13.2 29.3 22.1 23 23 A Y B < -B 20 0B 46 -3,-1.9 -4,-1.3 -6,-0.2 -3,-0.7 -0.822 51.9-136.4 -96.5 114.5 -10.4 28.6 19.6 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.2 -5,-0.2 4,-0.9 -0.161 26.2-103.4 -63.5 161.9 -11.7 28.0 16.1 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.791 117.2 64.2 -54.9 -38.0 -10.3 25.1 14.0 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.857 97.9 57.2 -57.8 -35.7 -8.2 27.5 11.9 27 27 A N H <> S+ 0 0 20 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.923 108.9 44.8 -59.3 -46.8 -6.1 28.3 15.0 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.857 113.7 48.2 -67.1 -40.3 -5.3 24.6 15.6 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.908 112.5 50.2 -68.9 -38.7 -4.4 23.9 12.0 30 30 A b H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.905 110.7 49.1 -64.2 -44.0 -2.2 27.0 11.9 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.912 110.6 49.9 -63.4 -43.6 -0.4 26.0 15.1 32 32 A A H X>S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 6,-1.0 0.922 109.4 53.3 -61.5 -43.6 0.2 22.5 13.8 33 33 A K H X5S+ 0 0 65 -4,-2.2 4,-1.5 4,-0.2 -2,-0.2 0.946 116.4 36.8 -54.3 -54.8 1.6 23.9 10.5 34 34 A F H <5S+ 0 0 58 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.698 119.6 48.2 -76.3 -18.4 4.1 26.1 12.3 35 35 A E H <5S- 0 0 32 -4,-1.9 -2,-0.2 20,-0.2 -3,-0.2 0.894 138.1 -4.7 -87.8 -42.4 5.0 23.7 15.1 36 36 A S H ><5S- 0 0 10 -4,-2.7 3,-1.2 19,-0.4 -3,-0.2 0.379 86.0-114.8-133.5 -0.4 5.6 20.6 13.1 37 37 A N T 3< - 0 0 53 4,-3.3 3,-1.6 -2,-0.3 -1,-0.0 -0.638 24.8-110.0-106.8 164.3 15.3 22.3 24.0 47 47 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.836 115.5 61.0 -60.6 -35.5 18.2 23.9 25.8 48 48 A D T 3 S- 0 0 87 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.466 122.3-104.9 -74.0 1.0 16.7 23.0 29.2 49 49 A G S < S+ 0 0 24 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.309 84.3 119.8 96.7 -12.6 17.1 19.3 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.361 52.1-140.1 -79.6 169.6 13.4 18.7 27.5 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.2 -3,-0.1 2,-0.4 -0.951 3.8-134.2-134.8 147.8 12.0 17.7 24.1 52 52 A D E -CD 44 59C 29 -8,-3.2 -8,-1.7 -2,-0.3 2,-0.4 -0.888 26.9-156.7-102.6 137.2 8.9 18.7 22.1 53 53 A Y E > -CD 43 58C 24 5,-2.0 5,-1.9 -2,-0.4 3,-0.4 -0.933 30.5 -25.1-125.8 137.3 6.9 15.9 20.4 54 54 A G T > 5S- 0 0 0 -12,-2.6 3,-2.0 -2,-0.4 30,-0.2 -0.052 97.0 -24.0 76.9-170.7 4.6 15.5 17.6 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.763 141.4 32.5 -50.5 -37.2 2.1 17.5 15.5 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.243 105.5-123.9-110.8 13.2 1.6 20.0 18.3 57 57 A Q T < 5 - 0 0 12 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.847 34.4-165.8 46.7 53.9 5.1 19.9 19.8 58 58 A I E < -D 53 0C 2 -5,-1.9 -5,-2.0 -6,-0.1 2,-0.2 -0.487 18.0-118.4 -74.1 129.7 4.1 19.0 23.3 59 59 A N E >>> -D 52 0C 28 -2,-0.3 4,-2.0 -7,-0.2 5,-0.7 -0.467 7.2-147.6 -77.4 137.6 6.8 19.5 25.9 60 60 A S T 345S+ 0 0 0 -9,-2.2 14,-0.4 1,-0.2 6,-0.2 0.652 90.5 72.7 -74.1 -20.5 8.3 16.7 28.1 61 61 A R T 345S+ 0 0 54 -10,-0.2 12,-1.7 11,-0.2 -1,-0.2 0.885 120.9 5.4 -63.2 -35.5 9.0 18.9 31.1 62 62 A W T <45S+ 0 0 121 -3,-0.6 13,-3.2 10,-0.2 -2,-0.2 0.771 131.8 36.9-116.3 -39.5 5.3 19.1 31.9 63 63 A W T <5S+ 0 0 27 -4,-2.0 13,-2.2 11,-0.3 15,-0.3 0.784 107.2 22.8 -98.2 -32.1 3.1 17.0 29.8 64 64 A c < - 0 0 0 -5,-0.7 2,-0.5 11,-0.1 10,-0.4 -0.921 67.3-115.3-137.1 161.7 4.5 13.6 28.8 65 65 A N B +e 79 0D 75 13,-2.7 15,-2.4 -2,-0.3 16,-0.4 -0.873 34.0 159.5-100.8 124.0 7.1 11.2 30.1 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.280 52.5-123.1-118.3 0.9 10.2 10.5 27.9 67 67 A G S S+ 0 0 65 2,-0.2 -2,-0.1 -7,-0.1 -7,-0.0 0.504 96.8 72.8 71.6 6.2 12.4 9.2 30.7 68 68 A R + 0 0 123 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.089 69.4 87.7-138.3 22.8 15.1 11.7 30.1 69 69 A T S > S- 0 0 11 -9,-0.1 3,-1.8 -19,-0.0 -2,-0.2 -0.895 70.3-143.1-124.7 95.2 13.7 15.0 31.4 70 70 A P T 3 S+ 0 0 115 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.379 86.4 22.4 -60.4 133.6 14.5 15.3 35.1 71 71 A G T 3 S+ 0 0 70 1,-0.3 -10,-0.0 -2,-0.1 0, 0.0 0.521 84.6 160.7 88.8 2.7 11.6 17.0 37.0 72 72 A S < - 0 0 31 -3,-1.8 -1,-0.3 1,-0.1 -10,-0.2 -0.317 29.0-159.0 -56.5 142.7 9.1 16.1 34.3 73 73 A R - 0 0 147 -12,-1.7 -11,-0.2 -13,-0.2 -1,-0.1 0.683 10.8-151.4 -98.7 -21.7 5.5 16.3 35.5 74 74 A N > + 0 0 36 -10,-0.4 3,-2.1 -14,-0.4 -11,-0.3 0.874 25.7 170.6 47.7 50.3 3.7 14.0 33.0 75 75 A L T 3 S+ 0 0 53 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.1 0.716 75.8 50.5 -63.2 -23.0 0.4 15.9 33.4 76 76 A d T 3 S- 0 0 14 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.460 104.8-134.0 -93.1 -0.5 -1.1 14.1 30.4 77 77 A N < + 0 0 139 -3,-2.1 -13,-0.1 1,-0.2 -2,-0.1 0.912 64.2 111.2 49.4 59.4 0.0 10.7 31.9 78 78 A I S S- 0 0 33 -15,-0.3 -13,-2.7 16,-0.0 2,-0.3 -0.992 74.4-102.3-158.2 147.0 1.4 9.3 28.7 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.619 35.3-124.5 -73.1 142.3 4.8 8.4 27.2 80 80 A c G > S+ 0 0 0 -15,-2.4 3,-1.9 1,-0.3 4,-0.2 0.825 107.5 68.6 -55.4 -31.0 6.0 11.1 24.8 81 81 A S G > S+ 0 0 84 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.789 87.1 66.2 -61.0 -27.8 6.3 8.5 22.0 82 82 A A G X S+ 0 0 32 -3,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.740 92.5 63.3 -64.8 -22.1 2.5 8.1 22.0 83 83 A L G < S+ 0 0 3 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.513 94.3 60.9 -79.6 -5.5 2.4 11.7 20.7 84 84 A L G < S+ 0 0 41 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.385 79.5 118.7-100.0 -3.3 4.3 10.7 17.5 85 85 A S S < S- 0 0 53 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.206 74.2-121.9 -61.7 156.6 1.6 8.2 16.3 86 86 A S S S+ 0 0 74 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.698 101.8 76.4 -72.6 -20.1 -0.3 8.6 13.0 87 87 A D S > S- 0 0 99 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.854 73.8-159.7 -91.3 113.6 -3.5 8.6 15.1 88 88 A I T 3> + 0 0 11 -2,-0.8 4,-2.8 1,-0.2 3,-0.3 0.490 61.0 106.5 -77.9 0.5 -3.6 12.1 16.6 89 89 A T H 3> S+ 0 0 71 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.850 79.3 48.6 -46.4 -47.5 -6.0 11.3 19.4 90 90 A A H <> S+ 0 0 24 -3,-0.6 4,-2.4 -8,-0.3 -1,-0.2 0.926 113.3 46.8 -61.3 -46.9 -3.3 11.4 22.2 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.904 113.6 50.5 -61.6 -41.9 -2.0 14.7 21.0 92 92 A V H X S+ 0 0 3 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.936 111.3 46.3 -62.8 -46.6 -5.5 16.0 20.7 93 93 A N H X S+ 0 0 75 -4,-3.0 4,-1.1 -5,-0.2 -2,-0.2 0.866 115.2 46.8 -66.5 -34.9 -6.5 14.9 24.3 94 94 A d H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.2 3,-0.4 0.914 107.6 56.5 -73.4 -39.6 -3.3 16.3 25.7 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.833 100.8 59.2 -60.0 -32.8 -3.7 19.6 23.9 96 96 A K H X S+ 0 0 46 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.922 107.5 45.5 -63.5 -40.4 -7.1 20.0 25.5 97 97 A K H X S+ 0 0 98 -4,-1.1 4,-0.6 -3,-0.4 -2,-0.2 0.922 113.4 50.1 -66.9 -44.1 -5.5 19.9 28.9 98 98 A I H >< S+ 0 0 10 -4,-2.1 3,-1.6 1,-0.2 5,-0.4 0.964 110.5 47.8 -59.7 -52.3 -2.7 22.3 27.9 99 99 A V H 3<>S+ 0 0 4 -4,-2.8 5,-0.5 1,-0.3 3,-0.5 0.746 110.5 53.3 -64.5 -22.0 -5.1 24.9 26.4 100 100 A S H 3<5S+ 0 0 32 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.579 83.0 95.7 -86.7 -9.1 -7.3 24.8 29.5 101 101 A D T <<5S- 0 0 96 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.1 0.387 107.3 -92.2 -65.2 -1.3 -4.2 25.5 31.7 102 102 A G T 5S+ 0 0 68 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 0.028 115.2 67.9 116.1 -29.1 -4.8 29.2 32.0 103 103 A N T > 5S- 0 0 105 -5,-0.4 3,-1.6 1,-0.3 4,-0.2 0.279 81.4-154.4-108.9 11.7 -2.8 30.7 29.2 104 104 A G G > < - 0 0 10 -5,-0.5 3,-1.2 1,-0.2 -1,-0.3 -0.146 65.6 -17.8 51.6-142.1 -4.9 29.3 26.3 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 7,-0.3 0.550 116.5 88.7 -74.9 -4.6 -3.1 28.9 23.0 106 106 A N G < S+ 0 0 45 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.622 70.3 80.1 -65.9 -11.8 -0.2 31.2 24.1 107 107 A A G < S+ 0 0 58 -3,-1.2 2,-0.7 -4,-0.2 -1,-0.3 0.688 83.6 68.0 -66.6 -23.0 1.3 28.0 25.4 108 108 A W S <> S- 0 0 9 -3,-2.3 4,-2.1 1,-0.1 3,-0.4 -0.910 74.1-159.4-103.1 111.1 2.3 27.3 21.8 109 109 A V H > S+ 0 0 76 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.814 90.3 52.8 -58.7 -38.9 5.0 29.8 20.8 110 110 A A H >>S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 5,-0.5 0.860 109.1 51.8 -68.6 -30.7 4.5 29.5 17.1 111 111 A W H >>S+ 0 0 13 -3,-0.4 5,-3.3 -6,-0.2 4,-2.0 0.947 111.4 45.9 -67.9 -47.3 0.8 30.1 17.5 112 112 A R H <5S+ 0 0 110 -4,-2.1 -2,-0.2 -7,-0.3 -1,-0.2 0.927 122.3 36.8 -61.5 -42.0 1.5 33.3 19.5 113 113 A N H <5S+ 0 0 117 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.739 133.5 18.6 -86.2 -22.0 4.1 34.5 17.0 114 114 A R H <5S+ 0 0 145 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.623 130.4 30.2-126.0 -16.0 2.6 33.4 13.7 115 115 A b T >< + 0 0 77 -2,-0.2 3,-1.0 1,-0.2 4,-0.2 -0.649 50.0 174.3 -79.1 91.2 -6.9 35.4 9.5 120 120 A V G > + 0 0 8 -2,-1.7 3,-1.4 1,-0.2 4,-0.3 0.649 64.6 81.3 -75.0 -9.8 -6.8 31.8 10.7 121 121 A Q G >> S+ 0 0 106 1,-0.3 3,-1.9 2,-0.2 4,-0.8 0.838 77.3 71.2 -63.3 -29.2 -9.9 31.0 8.6 122 122 A A G X4 S+ 0 0 40 -3,-1.0 3,-0.5 1,-0.3 -1,-0.3 0.815 85.4 68.0 -58.1 -28.4 -7.6 30.7 5.6 123 123 A W G <4 S+ 0 0 55 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.662 109.4 32.4 -68.0 -18.3 -6.3 27.5 7.1 124 124 A I G X4 S+ 0 0 48 -3,-1.9 3,-2.0 -4,-0.3 -1,-0.2 0.424 87.2 127.3-117.0 0.9 -9.5 25.6 6.6 125 125 A R T << S+ 0 0 146 -4,-0.8 3,-0.1 -3,-0.5 -119,-0.1 -0.284 76.3 19.3 -59.2 136.0 -10.7 27.4 3.5 126 126 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -120,-0.0 -1,-0.3 0.212 94.2 126.9 89.1 -14.0 -11.6 24.9 0.7 127 127 A a < - 0 0 19 -3,-2.0 2,-1.2 1,-0.1 -1,-0.3 -0.555 62.8-129.5 -83.9 138.3 -12.0 22.0 3.0 128 128 A R 0 0 243 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.730 360.0 360.0 -83.5 96.3 -15.1 19.9 3.0 129 129 A L 0 0 98 -2,-1.2 -1,-0.2 -5,-0.1 -2,-0.0 0.659 360.0 360.0-106.9 360.0 -15.9 19.9 6.7