==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-01 1IR7 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.OHMURA,T.UEDA,Y.HASHIMOTO,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6599.0 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 . 5 3.9 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 87 0, 0.0 39,-2.4 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 131.1 2.4 10.4 9.2 2 2 A V B -A 39 0A 97 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.884 360.0-146.9-100.1 109.5 2.4 13.8 7.5 3 3 A F - 0 0 13 35,-2.8 2,-0.3 -2,-0.8 3,-0.0 -0.324 8.4-122.8 -74.0 157.6 -1.2 15.0 7.3 4 4 A G > - 0 0 34 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.665 31.9-109.8 -94.6 155.6 -2.8 17.1 4.6 5 5 A R H > S+ 0 0 84 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.928 117.0 37.4 -50.2 -56.7 -4.3 20.4 5.7 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 114.5 56.4 -70.7 -31.0 -8.0 19.4 5.1 7 7 A E H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 109.9 44.9 -64.1 -45.9 -7.4 15.9 6.4 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.929 110.2 55.1 -64.0 -46.6 -6.0 17.2 9.7 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.914 109.1 47.8 -52.1 -45.9 -8.9 19.7 10.0 10 10 A A H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.872 112.3 47.7 -66.9 -39.3 -11.4 17.0 9.6 11 11 A A H X S+ 0 0 17 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.830 113.1 48.7 -71.2 -34.3 -9.8 14.7 12.2 12 12 A M H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 6,-0.3 0.907 111.4 50.0 -70.1 -39.4 -9.4 17.5 14.7 13 13 A K H ><5S+ 0 0 81 -4,-2.5 3,-2.7 -5,-0.3 5,-0.2 0.966 108.5 52.0 -62.2 -49.8 -13.0 18.5 14.2 14 14 A R H 3<5S+ 0 0 186 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.847 107.4 55.2 -54.0 -36.7 -14.1 14.9 14.8 15 15 A H T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.279 122.2-104.3 -83.7 10.7 -12.1 15.0 18.0 16 16 A G T < 5S+ 0 0 36 -3,-2.7 -3,-0.2 1,-0.0 -2,-0.1 0.710 82.6 124.3 78.0 22.6 -13.9 18.0 19.3 17 17 A L > < + 0 0 0 -5,-2.2 3,-2.1 2,-0.1 2,-0.3 0.734 36.5 104.7 -87.2 -22.8 -11.3 20.7 18.8 18 18 A D T 3 S- 0 0 71 1,-0.3 6,-0.2 -6,-0.3 4,-0.1 -0.469 107.5 -8.4 -62.6 116.5 -13.4 23.2 16.7 19 19 A N T > S+ 0 0 94 4,-1.4 3,-2.1 -2,-0.3 -1,-0.3 0.556 87.7 164.1 68.6 18.0 -14.1 25.9 19.3 20 20 A Y B X S-B 23 0B 63 -3,-2.1 3,-2.1 3,-0.6 -1,-0.2 -0.464 80.1 -6.9 -67.3 124.1 -12.7 24.0 22.2 21 21 A R T 3 S- 0 0 152 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.816 136.0 -55.9 56.5 31.6 -12.2 26.7 24.9 22 22 A G T < S+ 0 0 58 -3,-2.1 2,-0.7 1,-0.2 -1,-0.3 0.452 104.8 128.9 84.9 2.2 -13.1 29.3 22.4 23 23 A Y B < -B 20 0B 47 -3,-2.1 -4,-1.4 -6,-0.1 -3,-0.6 -0.817 51.8-137.7 -98.9 116.8 -10.5 28.4 19.8 24 24 A S >> - 0 0 36 -2,-0.7 3,-1.5 -5,-0.2 4,-0.9 -0.241 28.4-103.8 -63.8 159.8 -11.9 28.0 16.2 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.800 117.2 66.3 -55.0 -37.3 -10.5 25.1 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.843 97.7 55.9 -56.0 -33.9 -8.4 27.4 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.924 108.4 45.7 -63.8 -45.1 -6.3 28.1 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.2 -2,-0.2 0.822 114.3 47.0 -68.9 -38.3 -5.5 24.4 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.901 112.7 50.7 -70.3 -40.7 -4.6 23.7 12.2 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.931 110.3 49.6 -63.2 -45.4 -2.4 26.8 12.1 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.927 111.4 47.7 -58.8 -46.6 -0.7 25.7 15.3 32 32 A A H X>S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-1.2 0.932 109.1 56.7 -61.9 -42.6 0.0 22.2 13.9 33 33 A K H X5S+ 0 0 59 -4,-2.6 4,-1.3 4,-0.2 -2,-0.2 0.955 117.4 31.0 -52.2 -56.8 1.3 23.7 10.7 34 34 A F H <5S+ 0 0 60 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.746 120.2 51.7 -80.1 -22.8 3.9 25.8 12.4 35 35 A E H <5S- 0 0 32 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.920 137.9 -6.4 -78.3 -43.9 4.7 23.5 15.3 36 36 A S H ><5S- 0 0 11 -4,-2.6 3,-0.8 19,-0.4 -3,-0.2 0.452 85.4-115.6-130.4 -7.7 5.3 20.4 13.3 37 37 A N T 3< - 0 0 55 4,-3.0 3,-2.0 -2,-0.3 -1,-0.0 -0.693 26.0-106.5-111.0 164.7 15.2 22.1 24.1 47 47 A T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.811 117.4 61.5 -59.4 -34.1 18.1 23.7 26.0 48 48 A D T 3 S- 0 0 85 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.437 120.6-107.4 -73.5 1.9 16.5 22.7 29.3 49 49 A G S < S+ 0 0 18 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.317 83.6 118.0 92.2 -11.6 16.8 19.0 28.3 50 50 A S - 0 0 0 19,-0.1 -4,-3.0 -5,-0.1 2,-0.3 -0.302 52.7-142.3 -80.2 174.3 13.1 18.5 27.7 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.978 5.3-131.8-140.7 146.7 11.8 17.5 24.3 52 52 A D E -CD 44 59C 29 -8,-3.0 -8,-1.4 -2,-0.3 2,-0.4 -0.881 27.3-154.9-100.1 137.6 8.6 18.5 22.3 53 53 A Y E > -CD 43 58C 24 5,-2.4 5,-2.1 -2,-0.4 3,-0.4 -0.921 31.3 -25.2-124.4 138.1 6.6 15.6 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.1 3,-1.7 -2,-0.4 30,-0.2 -0.036 97.0 -23.1 77.4-169.2 4.3 15.2 17.8 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.757 141.4 32.4 -51.5 -35.9 1.8 17.2 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.268 106.2-122.9-109.8 11.0 1.4 19.8 18.5 57 57 A Q T < 5 - 0 0 14 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.890 34.6-165.2 48.0 55.3 4.9 19.7 19.9 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.4 -6,-0.1 2,-0.2 -0.525 18.1-118.4 -75.1 128.8 3.8 18.8 23.5 59 59 A N E >>> -D 52 0C 30 -2,-0.3 4,-1.9 -7,-0.2 5,-0.6 -0.454 7.8-147.3 -76.0 137.9 6.6 19.3 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.4 1,-0.2 6,-0.2 0.674 89.0 72.5 -77.4 -18.1 8.1 16.5 28.2 61 61 A R T 345S+ 0 0 52 11,-0.2 12,-1.8 -10,-0.2 -1,-0.2 0.883 121.1 6.4 -64.5 -33.9 8.8 18.6 31.3 62 62 A W T <45S+ 0 0 123 -3,-0.5 13,-3.5 10,-0.2 -2,-0.2 0.746 131.1 39.8-116.3 -37.6 5.1 18.9 32.2 63 63 A W T <5S+ 0 0 28 -4,-1.9 13,-2.4 11,-0.3 2,-0.3 0.806 108.7 15.4 -96.7 -32.0 2.9 16.8 30.0 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 11,-0.2 10,-0.5 -0.900 66.8-112.9-142.0 166.5 4.4 13.4 29.2 65 65 A N B +e 79 0D 75 13,-2.3 15,-2.5 -2,-0.3 16,-0.4 -0.909 32.1 161.2-108.0 125.6 7.0 11.0 30.3 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.165 53.8-122.2-118.9 6.9 10.0 10.2 28.0 67 67 A G S S+ 0 0 63 2,-0.1 -2,-0.1 1,-0.1 -7,-0.0 0.610 97.8 75.3 62.8 15.8 12.1 8.9 30.9 68 68 A R + 0 0 122 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.232 66.8 89.7-140.0 14.7 14.9 11.4 30.2 69 69 A T S > S- 0 0 10 -9,-0.1 3,-2.1 -18,-0.0 -2,-0.1 -0.862 72.8-137.2-117.6 92.9 13.5 14.7 31.6 70 70 A P T 3 S+ 0 0 114 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.263 88.8 15.3 -52.6 124.9 14.4 15.1 35.3 71 71 A G T 3 S+ 0 0 67 1,-0.2 -10,-0.0 2,-0.0 0, 0.0 0.558 83.6 168.1 87.4 8.9 11.4 16.4 37.2 72 72 A S < - 0 0 32 -3,-2.1 -10,-0.2 1,-0.1 -1,-0.2 -0.244 25.9-156.5 -53.0 143.0 8.9 15.7 34.5 73 73 A R - 0 0 147 -12,-1.8 -11,-0.2 -13,-0.2 -1,-0.1 0.633 11.9-152.2 -97.8 -17.8 5.3 16.1 35.8 74 74 A N > + 0 0 40 -10,-0.5 3,-2.0 -14,-0.4 -11,-0.3 0.868 24.5 171.5 44.3 51.2 3.6 13.8 33.2 75 75 A L T 3 S+ 0 0 57 -13,-3.5 -12,-0.2 1,-0.3 -11,-0.2 0.696 74.6 51.5 -63.1 -21.1 0.3 15.7 33.5 76 76 A d T 3 S- 0 0 11 -13,-2.4 -1,-0.3 2,-0.2 -12,-0.1 0.436 104.5-132.5 -96.4 4.3 -1.2 13.8 30.6 77 77 A N < + 0 0 137 -3,-2.0 -13,-0.1 1,-0.2 -2,-0.1 0.936 66.5 100.5 42.6 67.8 -0.3 10.4 32.1 78 78 A M S S- 0 0 36 -15,-0.2 -13,-2.3 5,-0.0 2,-0.2 -0.958 77.5 -96.2-168.9 153.0 1.3 8.9 29.0 79 79 A P B > -e 65 0D 65 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.571 36.9-121.0 -74.7 147.3 4.7 8.2 27.5 80 80 A c G > S+ 0 0 1 -15,-2.5 3,-1.3 1,-0.3 4,-0.2 0.779 108.6 70.5 -61.2 -24.5 5.8 10.8 25.0 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.813 86.3 68.0 -62.1 -29.0 6.1 8.2 22.2 82 82 A A G X S+ 0 0 35 -3,-1.7 3,-1.1 1,-0.3 9,-0.3 0.814 91.8 60.7 -58.3 -32.2 2.2 7.9 22.3 83 83 A L G < S+ 0 0 3 -3,-1.3 -28,-0.6 -4,-0.4 -1,-0.3 0.506 94.2 63.8 -75.3 -6.0 2.1 11.5 20.9 84 84 A L G < S+ 0 0 43 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.389 77.7 120.1 -99.7 2.0 4.0 10.4 17.7 85 85 A S S < S- 0 0 53 -3,-1.1 6,-0.1 2,-0.2 -3,-0.0 -0.169 73.7-124.7 -65.5 156.8 1.2 8.0 16.6 86 86 A S S S+ 0 0 71 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.654 102.2 76.8 -73.3 -18.7 -0.6 8.4 13.2 87 87 A D S > S- 0 0 90 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.874 73.6-160.2 -92.3 112.0 -3.7 8.4 15.3 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.9 1,-0.2 5,-0.3 0.371 60.9 107.7 -79.3 10.1 -3.9 11.9 16.9 89 89 A T H 3> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 80.8 44.8 -54.3 -46.3 -6.2 10.9 19.7 90 90 A A H <> S+ 0 0 25 -3,-0.6 4,-2.4 -8,-0.2 5,-0.3 0.944 113.7 49.6 -63.6 -50.1 -3.6 11.1 22.4 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.6 -9,-0.3 -1,-0.2 0.903 112.7 48.0 -55.9 -43.0 -2.2 14.4 21.2 92 92 A V H X S+ 0 0 1 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.917 111.0 50.3 -66.7 -39.7 -5.6 15.9 21.0 93 93 A N H X S+ 0 0 79 -4,-2.5 4,-1.1 -5,-0.3 -2,-0.2 0.882 114.1 44.2 -66.0 -38.8 -6.5 14.7 24.5 94 94 A d H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 3,-0.4 0.918 109.9 55.0 -71.8 -42.9 -3.4 16.1 26.0 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.842 103.0 58.4 -59.4 -33.7 -3.7 19.4 24.1 96 96 A K H X S+ 0 0 46 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.918 108.4 44.6 -62.4 -39.5 -7.2 19.8 25.6 97 97 A K H < S+ 0 0 121 -4,-1.1 4,-0.4 -3,-0.4 -2,-0.2 0.904 114.5 49.1 -69.5 -41.0 -5.6 19.7 29.1 98 98 A I H >< S+ 0 0 11 -4,-2.4 3,-1.8 1,-0.2 5,-0.4 0.957 109.8 49.8 -64.1 -50.1 -2.9 22.1 28.1 99 99 A V H 3< S+ 0 0 5 -4,-3.0 5,-0.4 1,-0.3 3,-0.4 0.750 110.5 52.1 -63.1 -21.3 -5.2 24.7 26.5 100 100 A S T 3< S+ 0 0 31 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.489 82.6 97.2 -91.9 -4.5 -7.4 24.5 29.7 101 101 A D S < S- 0 0 97 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 0.458 105.8 -93.8 -66.2 -5.6 -4.3 25.2 31.9 102 102 A G S S+ 0 0 67 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.068 114.7 68.0 117.8 -26.8 -4.9 28.9 32.2 103 103 A N S > S- 0 0 113 -5,-0.4 3,-1.4 1,-0.3 4,-0.1 0.326 82.7-153.5-110.2 9.9 -2.9 30.5 29.5 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.2 1,-0.2 -1,-0.3 -0.201 63.1 -18.4 56.8-141.7 -4.9 29.1 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 7,-0.3 0.480 115.1 89.3 -78.4 -3.4 -3.1 28.6 23.2 106 106 A N G < S+ 0 0 47 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.633 70.0 81.1 -66.0 -11.8 -0.3 30.9 24.2 107 107 A A G < S+ 0 0 56 -3,-1.2 2,-0.8 1,-0.1 -1,-0.3 0.742 82.9 68.1 -62.7 -27.0 1.2 27.7 25.5 108 108 A W S <> S- 0 0 7 -3,-2.0 4,-2.3 1,-0.2 3,-0.5 -0.879 72.8-161.2-100.8 110.2 2.2 27.1 21.9 109 109 A V H > S+ 0 0 72 -2,-0.8 4,-2.4 1,-0.3 5,-0.2 0.806 90.8 53.0 -58.4 -37.8 4.9 29.5 20.9 110 110 A A H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.846 109.7 49.8 -68.7 -33.5 4.4 29.1 17.2 111 111 A W H >>S+ 0 0 12 -3,-0.5 5,-3.4 -6,-0.2 4,-2.2 0.950 112.7 46.0 -66.4 -52.2 0.7 29.8 17.7 112 112 A R H <5S+ 0 0 111 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.928 122.2 36.9 -55.7 -45.4 1.3 32.9 19.6 113 113 A N H <5S+ 0 0 114 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.690 133.5 18.4 -85.3 -20.2 4.0 34.2 17.2 114 114 A R H <5S+ 0 0 145 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.574 130.8 30.6-129.5 -11.6 2.5 33.1 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.6 -5,-0.4 -3,-0.2 0.753 85.0 101.5-114.5 -45.9 -1.2 32.4 14.2 116 116 A K T 3 + 0 0 80 1,-0.2 3,-1.7 -2,-0.1 4,-0.3 -0.546 51.6 175.2 -76.7 81.8 -6.9 35.3 9.6 120 120 A V G > + 0 0 9 -2,-2.2 3,-1.6 1,-0.3 4,-0.3 0.718 65.6 78.8 -62.7 -17.5 -6.8 31.7 10.9 121 121 A Q G >> S+ 0 0 108 1,-0.3 3,-1.5 2,-0.2 4,-0.7 0.779 77.5 71.6 -61.3 -27.8 -9.9 30.9 8.8 122 122 A A G X4 S+ 0 0 40 -3,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.811 86.7 67.5 -59.4 -28.2 -7.7 30.7 5.7 123 123 A W G <4 S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.688 107.7 35.1 -67.1 -24.2 -6.4 27.4 7.1 124 124 A I G X4 S+ 0 0 49 -3,-1.5 3,-1.9 -4,-0.3 -1,-0.2 0.442 88.6 128.0-109.6 3.3 -9.6 25.6 6.8 125 125 A R T << S+ 0 0 148 -4,-0.7 3,-0.1 -3,-0.5 -3,-0.0 -0.204 74.7 16.8 -59.1 140.5 -10.7 27.3 3.6 126 126 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -120,-0.0 -1,-0.3 0.389 94.8 127.9 78.9 -4.9 -11.6 24.9 0.8 127 127 A a < - 0 0 23 -3,-1.9 2,-1.1 -122,-0.0 -1,-0.2 -0.632 63.2-126.8 -88.0 145.6 -12.1 21.9 3.1 128 128 A R 0 0 243 -2,-0.3 -118,-0.0 1,-0.2 -3,-0.0 -0.783 360.0 360.0 -89.6 100.5 -15.2 19.8 3.1 129 129 A L 0 0 98 -2,-1.1 -1,-0.2 -5,-0.1 -5,-0.0 0.734 360.0 360.0-112.2 360.0 -16.0 19.9 6.8