==== 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 1UIF . 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) . 6529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 29 22.5 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 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 89 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 138.5 2.3 10.5 9.3 2 2 A V B -A 39 0A 96 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.930 360.0-145.8-105.8 108.2 2.3 13.9 7.5 3 3 A F - 0 0 14 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.313 8.0-124.5 -72.4 155.6 -1.3 15.2 7.4 4 4 A G > - 0 0 34 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.614 33.6-107.6 -90.8 160.9 -2.8 17.2 4.6 5 5 A R H > S+ 0 0 86 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.952 116.9 35.8 -54.6 -57.4 -4.3 20.5 5.6 6 6 A a H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.781 113.7 58.9 -69.9 -29.8 -8.0 19.6 5.3 7 7 A E H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 109.4 43.3 -64.8 -45.4 -7.5 16.1 6.4 8 8 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.918 110.3 56.5 -65.6 -43.4 -6.1 17.3 9.8 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.935 110.7 45.1 -52.0 -46.9 -8.9 19.9 10.0 10 10 A A H X S+ 0 0 38 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.848 112.3 50.0 -66.8 -38.8 -11.4 17.1 9.7 11 11 A A H X S+ 0 0 14 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.899 112.6 47.9 -68.5 -38.1 -9.6 14.8 12.2 12 12 A M H <>S+ 0 0 1 -4,-2.9 5,-2.2 2,-0.2 6,-0.3 0.896 111.3 49.9 -68.6 -40.2 -9.4 17.6 14.7 13 13 A K H ><5S+ 0 0 83 -4,-2.3 3,-2.2 -5,-0.3 -2,-0.2 0.944 107.9 53.9 -63.5 -45.9 -13.1 18.5 14.3 14 14 A R H 3<5S+ 0 0 182 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.3 49.7 -56.2 -40.9 -14.1 14.8 14.7 15 15 A V T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.228 124.6-102.7 -85.4 12.7 -12.3 14.6 18.0 16 16 A G T < 5S+ 0 0 36 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.803 80.1 127.6 75.3 36.1 -13.9 17.8 19.3 17 17 A L > < + 0 0 0 -5,-2.2 3,-2.4 2,-0.1 2,-0.2 0.736 37.0 107.4 -93.3 -24.1 -11.3 20.6 18.9 18 18 A D T 3 S- 0 0 67 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.393 104.4 -8.5 -59.3 118.9 -13.3 23.2 16.9 19 19 A N T > S+ 0 0 93 4,-1.4 3,-1.9 1,-0.2 2,-0.3 0.649 88.6 162.9 64.2 20.1 -14.1 25.9 19.4 20 20 A Y B X S-B 23 0B 61 -3,-2.4 3,-1.9 3,-0.7 -1,-0.2 -0.557 79.9 -4.8 -69.8 125.1 -12.7 24.0 22.3 21 21 A R T 3 S- 0 0 141 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.782 135.2 -58.1 58.9 28.8 -12.2 26.6 25.0 22 22 A G T < S+ 0 0 62 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.426 104.8 128.2 85.7 -0.5 -13.2 29.3 22.5 23 23 A Y B < -B 20 0B 47 -3,-1.9 -4,-1.4 -6,-0.1 -3,-0.7 -0.800 52.8-137.2 -98.3 114.8 -10.5 28.5 19.9 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.7 -5,-0.2 4,-1.0 -0.221 27.6-104.3 -63.6 157.4 -11.8 28.0 16.4 25 25 A L H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.796 118.4 65.5 -52.0 -36.8 -10.4 25.1 14.2 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.846 98.1 55.6 -56.9 -34.3 -8.3 27.5 12.2 27 27 A N H <> S+ 0 0 22 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.920 110.1 43.8 -64.0 -45.4 -6.3 28.2 15.4 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.855 114.5 48.3 -68.9 -41.1 -5.4 24.5 15.9 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.921 112.7 49.6 -67.5 -41.2 -4.6 23.8 12.2 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.913 110.5 50.3 -63.3 -43.3 -2.4 26.9 12.2 31 31 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.918 110.3 49.0 -62.9 -42.2 -0.6 25.8 15.4 32 32 A A H X>S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-1.2 0.897 108.8 55.4 -63.0 -41.4 0.0 22.3 13.9 33 33 A K H X5S+ 0 0 58 -4,-2.3 4,-1.3 4,-0.2 -2,-0.2 0.965 116.7 33.4 -55.9 -55.9 1.4 23.8 10.7 34 34 A F H <5S+ 0 0 62 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.746 120.3 49.8 -78.8 -20.2 4.0 25.9 12.5 35 35 A E H <5S- 0 0 31 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.940 138.0 -6.4 -82.0 -45.5 4.8 23.5 15.3 36 36 A S H ><5S- 0 0 10 -4,-2.4 3,-0.8 19,-0.5 -3,-0.2 0.441 84.9-116.0-129.7 -8.1 5.3 20.3 13.3 37 37 A N T 3< - 0 0 50 4,-3.5 3,-1.3 -2,-0.2 -1,-0.0 -0.595 23.2-109.7-105.0 168.5 14.9 22.1 24.2 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.847 116.8 58.3 -65.3 -36.0 17.8 23.9 26.0 48 48 A D T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.383 123.5-104.3 -75.5 4.3 16.6 22.8 29.4 49 49 A G S < S+ 0 0 24 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.318 84.5 121.1 92.1 -13.4 17.0 19.2 28.2 50 50 A S - 0 0 0 -5,-0.1 -4,-3.5 19,-0.1 2,-0.3 -0.267 53.1-136.1 -75.5 173.4 13.3 18.5 27.8 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.987 2.1-134.2-137.0 143.9 11.8 17.5 24.3 52 52 A D E -CD 44 59C 28 -8,-3.4 -8,-1.8 -2,-0.3 2,-0.4 -0.849 27.9-156.1 -97.6 135.3 8.7 18.5 22.3 53 53 A Y E > -CD 43 58C 25 5,-2.5 5,-2.2 -2,-0.4 3,-0.4 -0.926 31.0 -22.3-124.1 136.2 6.7 15.7 20.8 54 54 A G T > 5S- 0 0 0 -12,-2.3 3,-1.5 -2,-0.4 30,-0.2 -0.122 96.7 -29.5 82.2-171.2 4.3 15.3 17.9 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.5 1,-0.3 -17,-0.3 0.775 142.5 34.7 -57.7 -31.8 2.0 17.3 15.7 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.276 106.4-126.2-110.0 10.7 1.4 19.8 18.6 57 57 A Q T < 5 - 0 0 11 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.877 31.9-164.1 45.3 56.8 4.9 19.6 20.0 58 58 A I E < -D 53 0C 1 -5,-2.2 -5,-2.5 -6,-0.1 2,-0.3 -0.513 18.0-118.5 -74.7 130.6 3.9 18.7 23.6 59 59 A N E >>> -D 52 0C 28 -2,-0.3 4,-2.0 -7,-0.2 3,-0.8 -0.552 6.9-147.7 -78.1 132.8 6.7 19.2 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.4 -2,-0.3 6,-0.2 0.635 89.4 76.5 -70.6 -18.1 8.2 16.4 28.2 61 61 A R T 345S- 0 0 53 11,-0.2 12,-1.7 -10,-0.2 -1,-0.2 0.855 120.2 -0.2 -62.6 -33.8 8.9 18.7 31.2 62 62 A W T <45S+ 0 0 130 -3,-0.8 13,-3.5 10,-0.2 -2,-0.2 0.705 132.8 42.7-125.1 -37.3 5.2 18.8 32.2 63 63 A W T <5S+ 0 0 25 -4,-2.0 13,-2.0 11,-0.3 15,-0.3 0.800 106.8 21.0 -93.0 -36.0 3.0 16.8 30.0 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 11,-0.1 10,-0.4 -0.923 66.4-117.1-136.4 163.0 4.5 13.4 29.1 65 65 A N B +e 79 0D 71 13,-2.6 15,-2.2 -2,-0.3 16,-0.3 -0.892 31.9 162.5-104.9 119.4 7.0 11.0 30.3 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 13,-0.2 -6,-0.0 0.322 53.1-120.4-109.4 1.3 10.0 10.3 28.0 67 67 A G S S+ 0 0 64 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.496 99.3 72.5 73.9 3.8 12.2 8.8 30.7 68 68 A R + 0 0 122 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.104 66.3 90.8-137.2 24.3 14.9 11.4 30.2 69 69 A T S > S- 0 0 8 -9,-0.1 3,-2.1 -19,-0.0 -2,-0.1 -0.846 72.5-137.3-123.6 90.0 13.5 14.6 31.7 70 70 A P T 3 S+ 0 0 114 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.260 87.7 8.8 -48.9 121.4 14.6 14.8 35.4 71 71 A G T 3 S+ 0 0 71 1,-0.2 2,-0.0 2,-0.0 -10,-0.0 0.664 85.4 163.9 80.3 18.4 11.6 16.1 37.4 72 72 A S < - 0 0 31 -3,-2.1 -10,-0.2 1,-0.1 -1,-0.2 -0.378 31.4-148.2 -65.7 151.0 9.0 15.9 34.6 73 73 A R - 0 0 155 -12,-1.7 -11,-0.2 -13,-0.1 -10,-0.1 0.705 10.0-152.8 -94.7 -21.3 5.4 16.1 35.8 74 74 A N > + 0 0 36 -10,-0.4 3,-1.8 -14,-0.4 -11,-0.3 0.874 22.9 172.8 46.6 52.9 3.7 13.9 33.2 75 75 A L T 3 S+ 0 0 48 -13,-3.5 -12,-0.2 1,-0.3 -11,-0.1 0.669 74.6 51.1 -64.1 -19.7 0.3 15.7 33.7 76 76 A d T 3 S- 0 0 18 -13,-2.0 -1,-0.3 2,-0.2 -12,-0.1 0.476 103.8-130.7 -96.8 -2.4 -1.2 13.9 30.7 77 77 A N < + 0 0 135 -3,-1.8 -13,-0.1 -14,-0.2 -2,-0.1 0.937 64.2 112.1 54.0 57.1 -0.2 10.4 32.0 78 78 A I S S- 0 0 35 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.995 73.0-105.5-155.1 149.4 1.3 9.1 28.8 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.594 38.1-122.5 -72.8 144.2 4.7 8.1 27.4 80 80 A c G > S+ 0 0 1 -15,-2.2 3,-1.9 1,-0.3 4,-0.2 0.825 108.8 68.4 -58.2 -31.6 5.8 10.8 25.0 81 81 A S G > S+ 0 0 83 -16,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.787 86.6 68.5 -59.1 -25.6 6.1 8.3 22.2 82 82 A A G X S+ 0 0 34 -3,-1.7 3,-1.0 1,-0.3 -1,-0.3 0.766 91.2 62.6 -63.6 -25.3 2.3 7.9 22.3 83 83 A L G < S+ 0 0 2 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.554 92.6 63.5 -77.6 -6.9 2.2 11.5 20.9 84 84 A L G < S+ 0 0 44 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.331 77.4 122.8 -99.9 4.9 4.0 10.4 17.7 85 85 A S S < S- 0 0 56 -3,-1.0 6,-0.1 2,-0.2 -3,-0.0 -0.225 72.6-124.2 -64.3 153.9 1.2 8.1 16.6 86 86 A S S S+ 0 0 74 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.668 101.4 77.9 -72.3 -15.6 -0.6 8.5 13.2 87 87 A D S > S- 0 0 91 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.872 72.8-159.8 -94.6 113.5 -3.7 8.6 15.3 88 88 A I T 3> + 0 0 5 -2,-0.7 4,-3.0 1,-0.2 5,-0.3 0.485 63.3 103.2 -75.1 -1.4 -3.9 12.1 16.8 89 89 A T H 3> S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 81.0 45.7 -49.5 -50.7 -6.3 11.2 19.6 90 90 A A H <> S+ 0 0 31 -3,-0.5 4,-2.0 -8,-0.2 -1,-0.2 0.889 114.0 49.2 -62.5 -40.6 -3.7 11.2 22.4 91 91 A S H > S+ 0 0 2 -4,-0.3 4,-2.6 -9,-0.2 -1,-0.2 0.939 112.8 48.0 -64.0 -43.8 -2.1 14.4 21.3 92 92 A V H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.914 110.3 51.4 -63.7 -42.9 -5.5 16.1 21.1 93 93 A N H X S+ 0 0 83 -4,-2.8 4,-1.0 -5,-0.3 -1,-0.2 0.896 113.5 44.0 -62.3 -39.9 -6.5 14.8 24.6 94 94 A d H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 3,-0.5 0.906 110.7 55.2 -72.4 -36.9 -3.3 16.1 26.1 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.3 5,-0.2 0.863 101.9 58.5 -63.7 -32.8 -3.7 19.4 24.2 96 96 A K H X S+ 0 0 41 -4,-2.1 4,-1.0 1,-0.2 -1,-0.3 0.886 107.2 46.7 -65.4 -34.5 -7.1 19.8 25.7 97 97 A K H X S+ 0 0 106 -4,-1.0 4,-0.7 -3,-0.5 -2,-0.2 0.911 113.0 49.9 -72.6 -41.3 -5.6 19.7 29.2 98 98 A I H >< S+ 0 0 8 -4,-2.2 3,-1.3 1,-0.2 5,-0.3 0.945 110.1 47.9 -62.2 -50.6 -2.9 22.2 28.2 99 99 A V H >< S+ 0 0 6 -4,-3.1 3,-0.5 1,-0.3 5,-0.5 0.765 109.7 53.5 -64.3 -25.5 -5.2 24.8 26.7 100 100 A S H 3< S+ 0 0 38 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.630 84.1 98.0 -80.1 -14.1 -7.5 24.6 29.8 101 101 A D T << S- 0 0 102 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.1 0.472 104.4-101.1 -53.2 -12.8 -4.3 25.3 31.8 102 102 A G S < S+ 0 0 74 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 0.008 112.7 72.5 114.3 -31.8 -5.0 29.0 32.2 103 103 A N S > S- 0 0 93 -5,-0.3 3,-1.5 1,-0.3 -4,-0.1 0.425 83.9-154.6 -94.8 -1.6 -2.7 30.4 29.6 104 104 A G G > - 0 0 10 -5,-0.5 3,-1.2 -6,-0.2 -1,-0.3 -0.291 62.3 -21.5 63.1-146.8 -4.8 29.2 26.7 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.1 7,-0.3 0.479 117.0 90.8 -76.5 -2.2 -3.1 28.6 23.3 106 106 A N G < + 0 0 32 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.662 67.9 80.5 -66.2 -14.0 -0.3 31.0 24.4 107 107 A A G < S+ 0 0 48 -3,-1.2 2,-0.8 1,-0.1 -1,-0.3 0.773 83.2 69.1 -60.8 -27.5 1.3 27.7 25.7 108 108 A W S X> S- 0 0 10 -3,-1.9 4,-2.2 1,-0.2 3,-0.6 -0.843 72.4-161.4 -97.4 107.8 2.3 27.2 22.1 109 109 A V H 3> S+ 0 0 73 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.849 90.5 53.1 -56.5 -37.4 5.0 29.7 21.1 110 110 A A H 3> S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.5 0.850 109.0 50.6 -70.0 -29.0 4.5 29.3 17.4 111 111 A W H <>>S+ 0 0 12 -3,-0.6 5,-3.2 -6,-0.2 4,-2.1 0.953 111.8 46.9 -69.2 -49.9 0.8 29.9 17.8 112 112 A R H <5S+ 0 0 101 -4,-2.2 -2,-0.2 -7,-0.3 -3,-0.1 0.951 122.1 35.6 -56.0 -47.5 1.5 33.1 19.8 113 113 A N H <5S+ 0 0 119 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.759 132.9 20.5 -82.7 -26.0 4.0 34.4 17.3 114 114 A R H <5S+ 0 0 141 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.589 130.6 29.1-121.6 -13.5 2.6 33.2 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.1 3,-2.2 -5,-0.5 -3,-0.2 0.765 85.1 101.8-113.9 -48.0 -1.1 32.5 14.3 116 116 A K T 3 + 0 0 83 -2,-0.2 3,-1.8 1,-0.2 4,-0.3 -0.536 51.4 173.8 -78.1 80.1 -6.9 35.4 9.7 120 120 A V G > + 0 0 9 -2,-2.3 3,-1.3 1,-0.3 4,-0.3 0.675 65.2 80.0 -63.5 -12.0 -6.7 31.8 11.0 121 121 A Q G > S+ 0 0 101 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.794 77.7 70.7 -65.1 -28.0 -9.9 31.1 9.0 122 122 A A G X S+ 0 0 44 -3,-1.8 3,-0.9 1,-0.3 -1,-0.3 0.810 85.5 69.6 -58.4 -28.4 -7.7 30.8 5.9 123 123 A W G < S+ 0 0 55 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.679 107.0 33.9 -65.2 -21.4 -6.3 27.5 7.3 124 124 A I G X S+ 0 0 50 -3,-1.5 3,-1.9 -4,-0.3 -1,-0.2 0.327 87.1 134.7-116.3 8.0 -9.6 25.6 6.8 125 125 A R T < S+ 0 0 141 -3,-0.9 3,-0.1 -4,-0.4 -119,-0.1 -0.287 74.7 12.7 -56.8 134.9 -10.6 27.4 3.7 126 126 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -120,-0.0 2,-0.2 0.320 95.6 131.4 80.0 -6.3 -11.8 25.0 1.0 127 127 A a < - 0 0 25 -3,-1.9 2,-0.9 1,-0.1 -1,-0.2 -0.505 56.6-135.6 -84.3 151.0 -12.2 22.0 3.3 128 128 A R 0 0 242 -2,-0.2 -118,-0.1 1,-0.2 -1,-0.1 -0.849 360.0 360.0-103.7 96.9 -15.2 19.7 3.5 129 129 A L 0 0 94 -2,-0.9 -1,-0.2 -5,-0.1 -115,-0.0 0.881 360.0 360.0-104.1 360.0 -15.6 19.3 7.3