==== 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 17-NOV-97 1AZF . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.LIM,A.NADARAJAH,E.L.FORSYTHE,M.L.PUSEY . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6805.0 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 . 27 20.9 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 . 3 2.3 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 91 0, 0.0 39,-2.4 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 137.8 2.3 10.4 9.2 2 2 A V B -A 39 0A 102 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.918 360.0-147.3-102.7 109.7 2.3 13.8 7.4 3 3 A F - 0 0 13 35,-2.6 2,-0.2 -2,-0.7 3,-0.1 -0.405 8.6-124.2 -75.2 157.4 -1.3 15.1 7.3 4 4 A G > - 0 0 35 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.600 32.2-109.6 -91.4 162.6 -2.8 17.2 4.5 5 5 A R H > S+ 0 0 85 -2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.978 117.0 37.6 -57.0 -63.0 -4.3 20.5 5.6 6 6 A a H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.792 114.0 57.9 -60.0 -32.9 -8.0 19.6 5.2 7 7 A E H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 109.0 43.9 -65.5 -40.2 -7.4 16.0 6.4 8 8 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.4 5,-0.2 0.899 109.8 57.3 -72.6 -39.4 -6.1 17.2 9.7 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.941 109.2 45.7 -55.9 -47.6 -8.9 19.8 10.0 10 10 A A H X S+ 0 0 38 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.909 112.1 49.7 -62.8 -45.3 -11.4 17.0 9.7 11 11 A A H X S+ 0 0 15 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.902 113.7 47.1 -62.0 -38.1 -9.7 14.7 12.2 12 12 A M H <>S+ 0 0 1 -4,-2.6 5,-2.4 2,-0.2 6,-0.3 0.878 111.9 49.4 -71.2 -37.1 -9.4 17.6 14.7 13 13 A K H ><5S+ 0 0 85 -4,-2.4 3,-2.0 1,-0.2 5,-0.2 0.949 110.2 51.6 -66.0 -44.8 -13.1 18.6 14.2 14 14 A R H 3<5S+ 0 0 184 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.0 55.4 -62.1 -28.9 -14.0 15.0 14.7 15 15 A H T 3<5S- 0 0 30 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.236 121.4-105.2 -90.8 14.3 -12.0 15.0 17.9 16 16 A G T < 5S+ 0 0 39 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.595 83.1 123.5 76.1 15.9 -13.9 18.0 19.4 17 17 A L > < + 0 0 0 -5,-2.4 3,-1.9 2,-0.1 2,-0.3 0.730 36.6 105.6 -81.2 -23.4 -11.2 20.7 18.9 18 18 A D T 3 S- 0 0 63 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.466 105.7 -8.6 -64.1 119.8 -13.3 23.2 16.8 19 19 A N T > S+ 0 0 98 4,-1.5 3,-2.3 -2,-0.3 -1,-0.3 0.554 89.9 161.7 64.4 14.8 -14.2 26.0 19.2 20 20 A Y B X S-B 23 0B 55 -3,-1.9 3,-2.5 3,-0.6 -1,-0.2 -0.467 80.5 -4.0 -63.7 127.5 -12.8 24.1 22.2 21 21 A R T 3 S- 0 0 147 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.729 135.5 -61.8 56.3 21.9 -12.3 26.8 24.9 22 22 A G T < S+ 0 0 56 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.458 102.5 132.9 87.7 2.5 -13.3 29.2 22.3 23 23 A Y B < -B 20 0B 47 -3,-2.5 -4,-1.5 -6,-0.1 -3,-0.6 -0.785 52.7-132.0 -92.8 116.0 -10.5 28.5 19.8 24 24 A S >> - 0 0 40 -2,-0.7 3,-1.7 -5,-0.2 4,-1.0 -0.157 24.5-108.0 -63.4 154.8 -11.8 28.0 16.2 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.847 117.9 67.5 -50.5 -38.1 -10.5 25.1 14.2 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.837 97.9 53.2 -52.3 -36.8 -8.5 27.5 12.1 27 27 A N H <> S+ 0 0 19 -3,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.908 107.8 48.3 -65.8 -46.1 -6.3 28.1 15.2 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.3 -2,-0.2 0.920 113.8 46.5 -61.9 -45.2 -5.5 24.4 15.9 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.879 112.7 50.1 -66.3 -40.9 -4.6 23.8 12.2 30 30 A b H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.933 110.4 51.0 -62.8 -46.9 -2.4 26.9 12.1 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 6,-0.2 0.948 111.8 46.3 -52.4 -54.5 -0.7 25.8 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 6,-1.4 0.871 108.7 55.8 -56.9 -45.8 0.1 22.3 13.9 33 33 A K H X5S+ 0 0 65 -4,-2.3 4,-1.3 4,-0.3 -1,-0.2 0.968 117.3 34.9 -53.4 -51.9 1.4 23.7 10.6 34 34 A F H <5S+ 0 0 59 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.613 119.7 48.9 -82.7 -13.6 3.9 25.9 12.4 35 35 A E H <5S- 0 0 34 -4,-1.7 -3,-0.2 20,-0.2 -2,-0.2 0.878 139.1 -5.9 -89.9 -41.7 4.8 23.5 15.2 36 36 A S H ><5S- 0 0 10 -4,-2.5 3,-1.0 19,-0.4 -3,-0.2 0.396 86.2-115.5-133.6 -2.3 5.4 20.3 13.3 37 37 A N T 3< - 0 0 50 4,-2.9 3,-1.6 -2,-0.3 -1,-0.0 -0.585 26.4-109.7 -99.5 165.2 15.1 22.2 24.1 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.771 115.4 61.0 -66.5 -25.5 18.1 23.7 25.9 48 48 A D T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.489 121.5-104.5 -79.3 -0.1 16.7 22.7 29.3 49 49 A G S < S+ 0 0 22 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.294 83.7 123.4 96.2 -14.0 16.9 19.0 28.3 50 50 A S - 0 0 0 19,-0.1 -4,-2.9 -5,-0.1 -1,-0.4 -0.374 50.3-143.9 -75.0 165.0 13.1 18.6 27.7 51 51 A T E -C 45 0C 4 -6,-0.2 9,-2.3 -3,-0.1 2,-0.4 -0.953 4.2-135.5-131.4 144.6 11.9 17.5 24.3 52 52 A D E -CD 44 59C 30 -8,-2.7 -8,-1.4 -2,-0.3 2,-0.4 -0.897 26.3-154.0 -99.9 139.2 8.7 18.5 22.4 53 53 A Y E > -CD 43 58C 27 5,-2.0 5,-2.1 -2,-0.4 3,-0.3 -0.921 29.9 -26.8-126.2 139.4 6.7 15.7 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.3 3,-1.6 -2,-0.4 30,-0.2 -0.025 97.1 -22.4 74.9-169.1 4.3 15.2 17.9 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.799 141.6 31.3 -50.2 -43.2 1.8 17.2 15.8 56 56 A L T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.263 106.1-122.6-104.2 13.4 1.4 19.8 18.5 57 57 A Q T < 5 - 0 0 11 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.911 34.8-166.0 47.4 56.8 4.9 19.6 20.0 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.0 -6,-0.1 2,-0.2 -0.579 18.5-119.5 -77.8 127.2 3.8 18.8 23.6 59 59 A N E >>> -D 52 0C 26 -2,-0.4 4,-2.2 -7,-0.2 3,-0.8 -0.459 5.8-145.0 -76.9 136.6 6.7 19.2 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.3 6,-0.2 1,-0.2 9,-0.1 0.596 91.0 73.9 -70.3 -17.8 8.2 16.4 28.3 61 61 A R T 345S+ 0 0 112 -10,-0.2 12,-2.2 11,-0.1 -1,-0.2 0.869 121.0 2.0 -65.9 -36.3 8.8 18.7 31.3 62 62 A W T <45S+ 0 0 121 -3,-0.8 13,-2.8 10,-0.2 -2,-0.2 0.663 132.0 41.2-122.3 -32.8 5.1 18.9 32.2 63 63 A W T <5S+ 0 0 32 -4,-2.2 13,-2.2 11,-0.2 2,-0.3 0.840 107.7 16.2 -99.5 -30.6 2.9 16.8 30.0 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 9,-0.2 -1,-0.2 -0.922 67.2-112.3-142.1 161.8 4.4 13.4 29.1 65 65 A N B +e 79 0D 75 13,-2.5 15,-2.3 -2,-0.3 16,-0.3 -0.870 31.0 163.8-102.1 125.2 7.1 11.0 30.2 66 66 A D - 0 0 38 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.270 52.4-120.3-116.2 6.6 10.1 10.3 28.0 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.431 99.1 69.8 67.9 7.4 12.2 8.7 30.8 68 68 A R + 0 0 120 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.203 67.7 85.9-139.7 13.6 14.9 11.4 30.3 69 69 A T S > S- 0 0 16 -9,-0.1 3,-1.2 -18,-0.0 -2,-0.1 -0.898 71.8-143.5-118.4 91.7 13.7 14.8 31.6 70 70 A P T 3 S+ 0 0 123 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.303 79.4 19.8 -56.8 140.3 14.4 14.7 35.4 71 71 A G T 3 S+ 0 0 85 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.674 91.1 149.2 75.1 19.5 11.9 16.4 37.6 72 72 A S < - 0 0 32 -3,-1.2 2,-0.3 2,-0.0 -1,-0.2 -0.535 40.9-141.4 -88.1 151.5 9.2 16.2 35.0 73 73 A R - 0 0 160 -12,-2.2 -9,-0.2 -2,-0.2 2,-0.2 -0.699 5.9-147.0-100.4 160.1 5.5 15.9 35.7 74 74 A N > + 0 0 47 -2,-0.3 3,-2.5 1,-0.1 -11,-0.2 -0.591 28.9 166.9-127.5 63.0 3.4 13.7 33.4 75 75 A L T 3 S+ 0 0 64 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.786 77.6 46.7 -55.1 -28.3 0.2 15.7 33.6 76 76 A d T 3 S- 0 0 15 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.445 104.5-133.0 -94.3 4.3 -1.3 13.9 30.7 77 77 A N < + 0 0 133 -3,-2.5 -13,-0.1 1,-0.2 -2,-0.1 0.930 65.2 112.2 41.5 68.8 -0.3 10.5 32.1 78 78 A I S S- 0 0 49 -15,-0.3 -13,-2.5 16,-0.0 2,-0.3 -0.987 73.0-105.0-162.3 149.1 1.2 9.2 28.9 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.648 33.9-124.0 -77.7 147.9 4.5 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-1.3 -2,-0.3 4,-0.2 0.803 107.8 67.4 -62.8 -26.3 5.8 10.8 25.0 81 81 A S G > S+ 0 0 89 -16,-0.3 3,-2.0 1,-0.3 4,-0.3 0.842 88.3 66.9 -61.8 -29.1 6.1 8.2 22.2 82 82 A A G X S+ 0 0 32 -3,-1.3 3,-1.0 1,-0.3 -1,-0.3 0.828 92.9 62.0 -63.8 -27.2 2.3 7.9 22.2 83 83 A L G < S+ 0 0 3 -3,-1.3 -28,-0.6 -4,-0.5 -1,-0.3 0.605 92.8 62.5 -74.8 -11.0 2.2 11.4 20.9 84 84 A L G < S+ 0 0 33 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.428 80.8 122.8 -92.8 -2.1 4.1 10.5 17.6 85 85 A S S < S- 0 0 53 -3,-1.0 6,-0.1 -4,-0.3 -3,-0.0 -0.103 72.2-124.7 -60.4 156.5 1.3 8.2 16.5 86 86 A S S S+ 0 0 75 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.751 101.5 73.6 -72.7 -25.8 -0.6 8.3 13.2 87 87 A D S S- 0 0 88 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.837 75.2-157.3 -90.2 118.4 -3.8 8.4 15.3 88 88 A I > + 0 0 6 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.406 61.2 108.5 -80.1 4.3 -3.9 11.9 16.8 89 89 A T H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.892 78.9 44.7 -49.2 -50.5 -6.2 11.0 19.8 90 90 A A H > S+ 0 0 28 -3,-0.5 4,-2.4 -8,-0.2 5,-0.2 0.898 114.0 49.9 -63.6 -44.4 -3.5 11.2 22.5 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.5 -9,-0.2 -1,-0.2 0.949 112.9 47.2 -60.5 -45.1 -2.2 14.5 21.2 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.949 112.0 49.8 -62.4 -44.0 -5.7 15.9 21.0 93 93 A N H X S+ 0 0 82 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.876 114.4 44.1 -63.6 -39.9 -6.6 14.7 24.6 94 94 A d H >X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 3,-0.6 0.894 109.7 55.9 -70.8 -38.9 -3.4 16.2 26.1 95 95 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.3 5,-0.3 0.913 101.9 56.9 -60.1 -44.4 -3.8 19.5 24.2 96 96 A K H 3X S+ 0 0 43 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.826 108.5 48.7 -55.8 -32.9 -7.3 20.0 25.6 97 97 A K H << S+ 0 0 101 -4,-0.7 4,-0.4 -3,-0.6 3,-0.4 0.929 111.3 48.3 -73.3 -46.0 -5.6 19.8 29.0 98 98 A I H >< S+ 0 0 10 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.948 110.6 50.5 -58.0 -50.9 -2.9 22.2 28.2 99 99 A V H 3< S+ 0 0 6 -4,-3.0 3,-0.5 1,-0.3 5,-0.4 0.726 108.9 51.8 -65.2 -19.9 -5.3 24.8 26.7 100 100 A S T 3< S+ 0 0 46 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.490 86.7 92.5 -93.9 -1.7 -7.5 24.7 29.8 101 101 A D S < S- 0 0 106 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.526 108.4 -90.2 -70.4 -11.1 -4.4 25.3 32.0 102 102 A G S S+ 0 0 67 -3,-0.5 -3,-0.1 -4,-0.1 -1,-0.1 -0.216 114.7 64.1 130.5 -46.8 -4.7 29.1 32.2 103 103 A N S > S- 0 0 99 -5,-0.3 3,-1.7 1,-0.3 4,-0.1 0.371 82.4-152.6 -92.8 5.3 -2.8 30.6 29.3 104 104 A G G > - 0 0 9 -5,-0.4 3,-1.3 -6,-0.2 -1,-0.3 -0.237 66.6 -17.6 61.0-142.0 -4.9 29.2 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 7,-0.3 0.457 116.5 88.9 -79.6 2.0 -3.1 28.7 23.2 106 106 A N G < + 0 0 26 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.639 69.9 81.4 -71.7 -10.3 -0.3 31.0 24.2 107 107 A A G < S+ 0 0 54 -3,-1.3 2,-0.8 1,-0.1 -1,-0.3 0.747 82.2 70.0 -64.4 -24.0 1.2 27.8 25.6 108 108 A W S <> S- 0 0 9 -3,-1.8 4,-2.2 1,-0.2 3,-0.2 -0.879 73.3-158.7-100.9 109.5 2.3 27.1 22.0 109 109 A V H > S+ 0 0 100 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.862 91.8 51.7 -52.0 -44.2 5.0 29.5 21.0 110 110 A A H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.5 0.906 108.9 51.1 -66.3 -38.0 4.4 29.1 17.3 111 111 A W H >>S+ 0 0 14 -3,-0.2 5,-3.1 3,-0.2 4,-2.2 0.949 111.7 47.0 -59.3 -53.2 0.7 29.9 17.7 112 112 A R H <5S+ 0 0 119 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.965 122.1 35.4 -53.2 -53.3 1.4 33.1 19.7 113 113 A N H <5S+ 0 0 127 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.738 133.2 21.0 -77.8 -21.1 4.1 34.3 17.2 114 114 A R H <5S+ 0 0 144 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.578 130.0 28.4-128.7 -7.9 2.6 33.1 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.5 -3,-0.2 0.744 85.1 101.5-119.8 -47.6 -1.1 32.5 14.2 116 116 A K T 3 + 0 0 86 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 -0.492 51.9 171.8 -74.6 78.5 -6.8 35.4 9.5 120 120 A V G > + 0 0 14 -2,-2.2 3,-1.6 1,-0.3 4,-0.4 0.687 65.5 78.9 -61.9 -18.8 -6.8 31.7 10.8 121 121 A Q G >> S+ 0 0 126 1,-0.3 3,-2.0 2,-0.2 4,-0.8 0.861 79.3 71.8 -58.1 -32.1 -10.0 31.0 8.8 122 122 A A G X4 S+ 0 0 42 -3,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.810 86.8 65.0 -55.7 -28.6 -7.6 30.7 5.8 123 123 A W G <4 S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.758 108.2 37.0 -68.1 -24.3 -6.4 27.4 7.2 124 124 A I G X4 S+ 0 0 48 -3,-2.0 3,-1.7 -4,-0.4 -1,-0.2 0.425 86.5 129.3-107.3 0.9 -9.7 25.7 6.8 125 125 A R T << S+ 0 0 155 -4,-0.8 3,-0.1 -3,-0.6 -119,-0.1 -0.280 74.5 14.1 -57.3 132.7 -10.7 27.3 3.5 126 126 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -120,-0.0 -1,-0.2 0.443 94.5 127.2 83.4 -0.1 -11.7 24.8 0.9 127 127 A a < - 0 0 21 -3,-1.7 2,-1.3 -122,-0.0 -1,-0.2 -0.693 62.1-129.6 -95.6 145.1 -12.2 21.8 3.1 128 128 A R 0 0 241 -2,-0.3 -3,-0.0 -3,-0.1 -118,-0.0 -0.741 360.0 360.0 -87.9 93.1 -15.3 19.6 3.4 129 129 A L 0 0 99 -2,-1.3 -1,-0.1 -5,-0.1 -2,-0.0 -0.437 360.0 360.0 -74.6 360.0 -15.7 19.7 7.2