==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-SEP-98 1BWH . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.DONG,T.J.BOGGON,N.E.CHAYEN,J.RAFTERY,R.C.BI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6690.0 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 . 9 7.0 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 . 32 24.8 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 80 0, 0.0 39,-2.4 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 133.5 2.4 10.5 9.1 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.932 360.0-144.1-102.4 113.2 2.4 13.9 7.4 3 3 A F - 0 0 16 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.377 7.0-124.4 -77.8 155.5 -1.1 15.2 7.3 4 4 A G > - 0 0 34 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.648 32.3-109.7 -90.5 158.2 -2.7 17.3 4.5 5 5 A R H > S+ 0 0 64 -2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.938 117.3 36.3 -54.2 -54.5 -4.2 20.6 5.6 6 6 A a H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.837 113.8 57.9 -70.1 -34.0 -7.9 19.6 5.2 7 7 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 110.0 43.9 -62.5 -43.2 -7.3 16.0 6.3 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.903 110.2 55.8 -67.8 -42.7 -5.9 17.3 9.7 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.944 110.2 45.5 -53.9 -49.3 -8.8 19.9 10.0 10 10 A A H X S+ 0 0 44 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.902 112.9 50.1 -62.4 -42.3 -11.3 17.1 9.6 11 11 A A H X S+ 0 0 16 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.887 113.1 45.8 -64.6 -41.0 -9.5 14.9 12.1 12 12 A M H <>S+ 0 0 1 -4,-2.8 5,-2.3 2,-0.2 6,-0.3 0.899 111.5 52.7 -69.9 -38.7 -9.2 17.7 14.7 13 13 A K H ><5S+ 0 0 80 -4,-2.7 3,-2.3 -5,-0.3 5,-0.3 0.969 108.1 50.2 -60.7 -50.2 -12.9 18.6 14.2 14 14 A R H 3<5S+ 0 0 190 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.7 55.9 -58.3 -29.4 -14.0 15.0 14.8 15 15 A H T 3<5S- 0 0 31 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.265 122.4-104.2 -88.6 11.1 -11.9 15.0 18.0 16 16 A G T < 5S+ 0 0 37 -3,-2.3 -3,-0.2 -5,-0.0 -2,-0.1 0.625 82.7 125.0 80.0 18.1 -13.7 18.0 19.4 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.0 2,-0.1 2,-0.4 0.727 37.2 106.2 -82.0 -21.6 -11.1 20.8 18.8 18 18 A D T 3 S- 0 0 61 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.457 106.1 -10.3 -63.6 115.1 -13.3 23.2 16.8 19 19 A N T > S+ 0 0 97 4,-1.4 3,-2.2 -2,-0.4 2,-0.3 0.604 87.9 164.8 69.2 18.3 -14.1 26.0 19.2 20 20 A Y B X S-B 23 0B 64 -3,-2.0 3,-1.8 3,-0.7 -1,-0.2 -0.519 80.5 -6.4 -67.8 122.8 -12.6 24.1 22.2 21 21 A R T 3 S- 0 0 156 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.759 135.7 -57.9 59.2 27.2 -12.2 26.8 24.9 22 22 A G T < S+ 0 0 61 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.496 103.9 130.3 85.7 4.9 -13.2 29.3 22.3 23 23 A Y B < -B 20 0B 47 -3,-1.8 -4,-1.4 -6,-0.1 -3,-0.7 -0.833 51.8-137.3 -98.9 111.2 -10.5 28.5 19.8 24 24 A S >> - 0 0 41 -2,-0.7 3,-1.5 -5,-0.2 4,-0.9 -0.152 28.4-101.2 -58.6 160.0 -11.9 28.0 16.3 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.837 118.3 66.1 -52.3 -40.3 -10.5 25.1 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.819 97.0 55.3 -53.4 -34.8 -8.3 27.5 12.1 27 27 A N H <> S+ 0 0 20 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.912 108.4 46.6 -66.1 -44.4 -6.2 28.2 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.866 113.3 48.1 -67.4 -38.6 -5.4 24.6 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.896 112.4 49.6 -69.4 -39.1 -4.5 23.9 12.2 30 30 A b H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.915 110.7 50.2 -64.2 -43.4 -2.3 27.0 12.1 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.935 111.3 48.2 -60.6 -47.5 -0.6 25.9 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-1.2 0.890 108.7 55.5 -60.1 -42.5 0.1 22.4 13.9 33 33 A K H X5S+ 0 0 62 -4,-2.3 4,-1.5 4,-0.2 -2,-0.2 0.953 117.2 33.2 -56.2 -52.5 1.4 23.8 10.7 34 34 A F H <5S+ 0 0 59 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.681 119.0 51.9 -82.1 -18.3 4.0 26.0 12.4 35 35 A E H <5S- 0 0 37 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.917 137.5 -6.3 -83.7 -41.0 4.8 23.6 15.3 36 36 A S H ><5S- 0 0 11 -4,-2.4 3,-1.4 19,-0.4 -3,-0.2 0.366 85.8-114.1-135.2 1.4 5.5 20.5 13.2 37 37 A N T 3< - 0 0 53 4,-2.9 3,-2.0 -2,-0.4 -1,-0.0 -0.670 26.6-110.5-101.5 159.9 15.2 22.4 24.0 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.797 115.6 61.2 -57.8 -31.0 18.1 24.0 25.8 48 48 A D T 3 S- 0 0 82 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.394 120.6-104.8 -78.6 3.6 16.8 22.9 29.2 49 49 A G S < S+ 0 0 24 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.218 83.9 118.0 95.4 -18.7 17.0 19.2 28.2 50 50 A S - 0 0 0 -5,-0.1 -4,-2.9 19,-0.1 2,-0.3 -0.375 53.6-138.4 -78.3 165.2 13.3 18.6 27.6 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.1 -3,-0.1 2,-0.4 -0.946 3.1-135.4-129.3 145.4 11.9 17.6 24.2 52 52 A D E -CD 44 59C 27 -8,-2.8 -8,-1.5 -2,-0.3 2,-0.4 -0.869 27.5-158.3 -98.2 134.0 8.8 18.6 22.2 53 53 A Y E > -CD 43 58C 23 5,-2.5 5,-2.1 -2,-0.4 3,-0.3 -0.930 30.7 -20.3-124.7 141.0 6.8 15.8 20.6 54 54 A G T > 5S- 0 0 0 -12,-2.2 3,-2.0 -2,-0.4 30,-0.2 -0.039 97.3 -27.1 76.2-173.3 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 0.781 141.4 33.2 -49.5 -38.1 2.0 17.4 15.7 56 56 A L T 3 5S- 0 0 1 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.240 106.0-124.3-108.5 12.9 1.5 19.9 18.5 57 57 A Q T < 5 - 0 0 11 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.887 34.3-165.1 45.3 56.9 5.0 19.7 19.9 58 58 A I E < -D 53 0C 1 -5,-2.1 -5,-2.5 -6,-0.1 2,-0.3 -0.510 17.9-117.2 -74.9 135.4 3.9 18.9 23.5 59 59 A N E >>> -D 52 0C 31 -7,-0.2 4,-2.2 -2,-0.2 5,-0.6 -0.562 8.1-148.3 -83.0 137.5 6.7 19.4 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.1 6,-0.2 -2,-0.3 9,-0.1 0.598 90.0 72.9 -75.3 -16.9 8.2 16.6 28.2 61 61 A R T 345S+ 0 0 64 -10,-0.1 12,-2.4 11,-0.1 -1,-0.2 0.853 122.1 3.9 -67.0 -33.3 9.0 18.8 31.2 62 62 A W T <45S+ 0 0 133 -3,-0.6 13,-2.5 10,-0.2 -2,-0.2 0.698 132.5 39.5-122.6 -31.5 5.3 19.0 32.1 63 63 A W T <5S+ 0 0 28 -4,-2.2 13,-2.1 11,-0.2 15,-0.4 0.792 107.4 18.5-102.3 -29.9 3.1 16.9 29.9 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.2 -1,-0.1 -0.938 66.8-115.7-141.5 161.8 4.5 13.5 29.0 65 65 A N B +e 79 0D 79 13,-2.3 15,-2.2 -2,-0.3 16,-0.4 -0.886 31.4 163.4-103.4 123.9 7.2 11.1 30.3 66 66 A D - 0 0 36 -2,-0.5 -1,-0.1 -6,-0.2 -6,-0.0 0.195 52.4-119.4-118.0 9.6 10.2 10.4 28.0 67 67 A G S S+ 0 0 69 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.479 99.5 72.2 67.3 4.1 12.4 8.9 30.7 68 68 A R + 0 0 122 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.201 68.4 86.5-134.9 18.9 15.2 11.5 30.2 69 69 A T S > S- 0 0 9 -9,-0.1 3,-1.4 3,-0.0 -2,-0.1 -0.880 72.0-143.4-121.0 92.1 13.8 14.8 31.6 70 70 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.287 78.7 10.6 -58.6 138.3 14.6 14.8 35.4 71 71 A G T 3 S+ 0 0 82 1,-0.2 2,-0.1 0, 0.0 -10,-0.0 0.599 93.0 147.0 70.9 13.0 12.1 16.3 37.8 72 72 A S < - 0 0 33 -3,-1.4 2,-0.3 1,-0.0 -10,-0.2 -0.438 44.8-131.2 -81.9 153.5 9.4 16.5 35.1 73 73 A R - 0 0 143 -12,-2.4 2,-0.5 -2,-0.1 -9,-0.2 -0.796 4.6-146.8-101.9 145.1 5.7 16.1 35.7 74 74 A N > + 0 0 53 -2,-0.3 3,-1.7 1,-0.2 -11,-0.2 -0.572 31.3 163.6-110.8 66.2 3.7 13.7 33.5 75 75 A L T 3 S+ 0 0 62 -13,-2.5 -12,-0.2 -2,-0.5 -1,-0.2 0.712 73.6 48.2 -59.2 -26.8 0.4 15.7 33.5 76 76 A d T 3 S- 0 0 19 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.457 104.6-131.1 -92.8 -0.8 -1.1 13.9 30.5 77 77 A N < + 0 0 136 -3,-1.7 -13,-0.1 1,-0.2 -2,-0.1 0.890 66.4 108.2 52.9 51.1 -0.2 10.5 32.0 78 78 A I S S- 0 0 37 -15,-0.4 -13,-2.3 16,-0.0 2,-0.2 -0.984 75.2-101.9-152.4 155.3 1.4 9.2 28.8 79 79 A P B > -e 65 0D 73 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.609 36.6-123.0 -75.9 142.3 4.8 8.3 27.3 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-1.6 1,-0.3 4,-0.2 0.811 108.8 68.9 -58.0 -27.4 5.9 11.0 24.9 81 81 A S G > S+ 0 0 86 -16,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.788 86.2 67.0 -62.4 -27.2 6.2 8.4 22.2 82 82 A A G X S+ 0 0 36 -3,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.766 93.3 62.1 -63.3 -25.0 2.4 8.0 22.2 83 83 A L G < S+ 0 0 2 -3,-1.6 -28,-0.5 -4,-0.4 -1,-0.3 0.482 93.0 62.3 -79.5 -5.1 2.3 11.6 20.8 84 84 A L G < S+ 0 0 44 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.404 80.4 120.4-100.2 2.4 4.2 10.6 17.7 85 85 A S S < S- 0 0 54 -3,-0.9 6,-0.1 -4,-0.2 -3,-0.0 -0.191 72.8-125.6 -66.4 154.5 1.5 8.2 16.5 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.7 -45,-0.0 -1,-0.1 0.699 100.3 77.1 -72.3 -19.8 -0.4 8.6 13.2 87 87 A D S S- 0 0 89 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.851 73.8-158.9 -90.7 115.2 -3.6 8.5 15.3 88 88 A I > + 0 0 5 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.452 62.4 105.4 -78.2 1.1 -3.8 12.0 16.8 89 89 A T H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 80.5 46.6 -46.6 -53.9 -6.1 11.1 19.7 90 90 A A H > S+ 0 0 29 -3,-0.5 4,-2.1 -8,-0.2 -1,-0.2 0.894 113.9 48.1 -58.5 -44.2 -3.4 11.2 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.8 -9,-0.2 -1,-0.2 0.931 113.2 48.6 -62.5 -44.2 -2.1 14.6 21.2 92 92 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.941 110.8 48.8 -62.2 -49.3 -5.6 16.0 21.0 93 93 A N H X S+ 0 0 86 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.895 115.8 44.4 -59.0 -41.4 -6.6 14.8 24.5 94 94 A d H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.2 3,-0.3 0.896 109.5 55.9 -71.3 -38.2 -3.3 16.2 26.0 95 95 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.885 103.1 56.6 -59.9 -39.8 -3.7 19.5 24.0 96 96 A K H X S+ 0 0 45 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.882 107.4 47.7 -59.9 -38.5 -7.1 20.0 25.6 97 97 A K H < S+ 0 0 107 -4,-1.1 4,-0.5 -3,-0.3 3,-0.2 0.921 112.2 50.1 -70.1 -40.4 -5.6 19.8 29.0 98 98 A I H >< S+ 0 0 8 -4,-2.2 3,-1.4 1,-0.2 5,-0.3 0.937 109.6 48.9 -62.6 -49.0 -2.8 22.3 28.0 99 99 A V H 3< S+ 0 0 6 -4,-2.8 3,-0.5 1,-0.3 5,-0.4 0.741 109.6 53.4 -66.7 -20.9 -5.2 24.9 26.6 100 100 A S T 3< S+ 0 0 39 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.530 83.7 93.0 -88.0 -8.5 -7.4 24.7 29.7 101 101 A D S < S- 0 0 103 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.1 0.683 107.7 -97.1 -59.2 -24.1 -4.4 25.4 31.9 102 102 A G S S+ 0 0 66 -3,-0.5 -1,-0.1 -4,-0.2 3,-0.1 -0.049 112.1 73.1 132.6 -36.6 -4.9 29.1 32.0 103 103 A N S > S- 0 0 108 -5,-0.3 3,-1.6 1,-0.3 -4,-0.1 0.399 82.6-153.3 -89.9 1.6 -2.7 30.6 29.3 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.266 63.8 -20.9 61.3-144.9 -4.8 29.3 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.498 116.7 91.9 -77.1 -1.5 -3.1 28.7 23.2 106 106 A N G < + 0 0 46 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.675 68.1 79.5 -64.6 -15.7 -0.3 31.1 24.3 107 107 A A G < S+ 0 0 53 -3,-1.2 2,-0.8 1,-0.2 -1,-0.3 0.740 82.9 71.1 -61.9 -24.0 1.4 27.9 25.6 108 108 A W S X> S- 0 0 8 -3,-2.1 4,-2.3 1,-0.2 3,-0.5 -0.855 72.1-161.7 -99.9 104.9 2.3 27.2 22.0 109 109 A V H 3> S+ 0 0 75 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.856 89.9 52.9 -51.8 -45.1 5.1 29.7 21.0 110 110 A A H 3> S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.880 109.8 49.8 -62.8 -35.7 4.6 29.3 17.2 111 111 A W H <>>S+ 0 0 12 -3,-0.5 5,-3.0 -6,-0.2 4,-2.2 0.944 111.5 48.2 -66.2 -48.8 0.8 30.0 17.7 112 112 A R H <5S+ 0 0 96 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.921 121.3 35.4 -57.2 -45.8 1.5 33.1 19.7 113 113 A N H <5S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.721 133.1 20.9 -84.7 -22.4 4.1 34.5 17.2 114 114 A R H <5S+ 0 0 144 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.566 129.7 29.5-126.0 -11.2 2.6 33.3 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.2 -5,-0.4 -3,-0.2 0.718 86.2 101.6-115.8 -43.1 -1.1 32.6 14.2 116 116 A K T 3 + 0 0 110 -2,-0.2 3,-1.6 1,-0.2 4,-0.2 -0.549 52.3 173.0 -79.2 82.0 -6.9 35.5 9.6 120 120 A V G > + 0 0 19 -2,-2.1 3,-1.6 1,-0.3 4,-0.3 0.670 64.7 79.1 -64.3 -17.6 -6.8 31.9 10.9 121 121 A Q G > S+ 0 0 110 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.795 79.4 71.8 -62.4 -24.4 -10.0 31.1 9.0 122 122 A A G X S+ 0 0 32 -3,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.781 82.9 69.6 -62.6 -26.2 -7.7 30.8 5.9 123 123 A W G < S+ 0 0 51 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.675 106.2 37.4 -68.6 -15.6 -6.3 27.5 7.3 124 124 A I G X S+ 0 0 45 -3,-1.6 3,-1.6 -4,-0.3 -1,-0.2 0.293 84.5 131.9-116.9 8.4 -9.6 25.7 6.7 125 125 A R T < S+ 0 0 134 -3,-1.0 3,-0.1 -4,-0.3 -119,-0.0 -0.293 76.0 13.5 -60.3 141.7 -10.6 27.3 3.4 126 126 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -120,-0.0 -1,-0.2 0.361 95.5 129.8 74.7 -7.5 -11.7 24.9 0.7 127 127 A a < - 0 0 19 -3,-1.6 2,-1.1 1,-0.1 -1,-0.2 -0.622 60.7-130.5 -85.6 142.0 -12.0 22.0 3.2 128 128 A R 0 0 246 -2,-0.3 -1,-0.1 -3,-0.1 -118,-0.0 -0.761 360.0 360.0 -90.0 96.2 -15.1 19.8 3.3 129 129 A L 0 0 94 -2,-1.1 -1,-0.1 -5,-0.1 -119,-0.1 0.293 360.0 360.0 -98.9 360.0 -15.8 19.8 7.0