==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-AUG-00 1FLQ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.MASUMOTO,T.UEDA,H.MOTOSHIMA,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 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 84 0, 0.0 39,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 139.8 2.4 10.6 9.2 2 2 A V B -A 39 0A 97 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.906 360.0-145.6-102.7 110.7 2.4 13.9 7.4 3 3 A F - 0 0 12 35,-2.9 2,-0.3 -2,-0.7 3,-0.0 -0.354 7.2-126.6 -74.5 153.6 -1.1 15.3 7.3 4 4 A G > - 0 0 34 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.655 32.6-108.8 -90.3 157.9 -2.6 17.3 4.5 5 5 A R H > S+ 0 0 81 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.944 116.8 35.7 -53.2 -56.9 -4.2 20.6 5.6 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 113.9 58.3 -70.0 -31.8 -7.8 19.7 5.2 7 7 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.1 43.8 -62.5 -43.5 -7.3 16.1 6.3 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.905 109.9 55.7 -67.9 -44.0 -5.9 17.4 9.6 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.912 110.2 46.8 -53.7 -43.1 -8.7 20.0 10.0 10 10 A A H X S+ 0 0 43 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.899 112.6 47.6 -69.6 -41.2 -11.2 17.1 9.6 11 11 A A H X S+ 0 0 21 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.883 113.3 48.8 -67.7 -38.4 -9.5 14.8 12.1 12 12 A M H <>S+ 0 0 1 -4,-2.8 5,-2.3 2,-0.2 6,-0.2 0.903 112.2 48.6 -66.4 -40.0 -9.2 17.7 14.7 13 13 A K H ><5S+ 0 0 84 -4,-2.2 3,-2.5 -5,-0.3 -2,-0.2 0.955 109.2 51.9 -63.9 -47.8 -12.8 18.6 14.2 14 14 A R H 3<5S+ 0 0 192 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.772 107.4 55.4 -58.9 -28.5 -13.9 15.0 14.6 15 15 A H T 3<5S- 0 0 31 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.260 123.3-105.0 -90.0 12.9 -11.9 15.0 17.8 16 16 A G T < 5S+ 0 0 37 -3,-2.5 -3,-0.2 -5,-0.0 -2,-0.1 0.733 82.2 125.1 74.2 26.5 -13.7 18.0 19.2 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.5 2,-0.1 -4,-0.2 0.800 35.2 106.2 -87.4 -28.4 -11.1 20.8 18.7 18 18 A D T 3 S- 0 0 68 1,-0.3 6,-0.2 -6,-0.2 3,-0.1 -0.347 106.9 -10.9 -56.2 114.7 -13.2 23.3 16.7 19 19 A N T > S+ 0 0 93 4,-1.6 3,-2.2 1,-0.2 -1,-0.3 0.575 88.1 163.1 66.9 15.9 -13.9 26.0 19.2 20 20 A Y B X S-B 23 0B 69 -3,-2.5 3,-1.8 3,-0.6 -1,-0.2 -0.485 80.1 -4.0 -65.5 125.5 -12.7 24.0 22.2 21 21 A R T 3 S- 0 0 155 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.779 136.2 -57.1 58.4 29.7 -12.2 26.7 24.9 22 22 A G T < S+ 0 0 59 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.404 105.1 126.9 86.7 -2.3 -13.1 29.4 22.4 23 23 A Y B < -B 20 0B 49 -3,-1.8 -4,-1.6 -6,-0.1 -3,-0.6 -0.787 52.9-138.1 -98.6 113.2 -10.4 28.6 19.7 24 24 A S >> - 0 0 40 -2,-0.7 3,-1.6 -5,-0.2 4,-0.9 -0.168 28.7-102.0 -61.7 160.6 -11.8 28.1 16.2 25 25 A L H 3> S+ 0 0 3 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.814 117.9 65.5 -53.4 -40.1 -10.4 25.2 14.1 26 26 A G H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.839 97.3 56.6 -55.0 -32.9 -8.2 27.6 12.1 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.918 108.5 45.8 -64.8 -42.6 -6.2 28.3 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.4 -2,-0.2 0.854 114.3 46.8 -69.6 -38.7 -5.4 24.6 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.893 112.8 50.1 -72.1 -38.7 -4.4 23.9 12.1 30 30 A b H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.924 110.9 49.7 -63.7 -45.8 -2.3 27.0 12.0 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.917 111.0 48.4 -59.0 -44.7 -0.5 25.9 15.2 32 32 A A H X>S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 6,-1.3 0.895 108.7 56.2 -62.7 -42.7 0.2 22.4 13.9 33 33 A K H X5S+ 0 0 60 -4,-2.2 4,-1.4 4,-0.2 -2,-0.2 0.963 116.8 33.1 -52.7 -56.5 1.5 23.9 10.6 34 34 A F H <5S+ 0 0 59 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.710 120.2 50.7 -79.2 -18.1 4.1 26.0 12.4 35 35 A E H <5S- 0 0 31 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.932 138.3 -7.0 -83.4 -45.5 4.8 23.6 15.3 36 36 A S H ><5S- 0 0 11 -4,-2.6 3,-1.1 19,-0.4 -3,-0.2 0.402 85.2-115.3-130.4 -4.8 5.5 20.4 13.3 37 37 A N T 3< - 0 0 58 4,-3.1 3,-1.5 -2,-0.3 -1,-0.0 -0.539 25.3-109.8-101.7 167.2 15.2 22.3 24.1 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.837 115.9 62.7 -65.9 -33.3 18.1 23.9 26.0 48 48 A D T 3 S- 0 0 82 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.462 121.0-108.5 -71.1 2.1 16.6 22.9 29.3 49 49 A G S < S+ 0 0 22 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.346 83.2 119.2 90.3 -11.3 17.0 19.3 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.353 53.5-139.3 -78.6 173.7 13.3 18.6 27.7 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.959 3.8-132.1-137.7 148.1 12.0 17.6 24.2 52 52 A D E -CD 44 59C 27 -8,-3.2 -8,-1.6 -2,-0.3 2,-0.4 -0.883 27.1-155.6-101.6 136.6 8.8 18.6 22.3 53 53 A Y E > -CD 43 58C 23 5,-2.4 5,-2.2 -2,-0.4 3,-0.4 -0.933 31.4 -24.3-124.4 135.6 6.8 15.8 20.6 54 54 A G T > 5S- 0 0 0 -12,-2.4 3,-1.8 -2,-0.4 30,-0.2 -0.112 97.1 -25.3 80.0-172.8 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 0.762 141.4 33.3 -50.1 -36.1 2.0 17.4 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.257 106.3-123.2-109.5 11.5 1.5 19.9 18.5 57 57 A Q T < 5 - 0 0 13 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.901 34.7-164.7 48.0 55.8 5.0 19.8 19.9 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.4 -6,-0.1 2,-0.3 -0.537 18.0-117.3 -75.8 129.8 4.0 18.9 23.4 59 59 A N E >>> -D 52 0C 25 -2,-0.3 4,-2.1 -7,-0.2 5,-0.7 -0.505 8.2-148.3 -76.0 135.6 6.7 19.3 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.4 -2,-0.3 6,-0.2 0.589 90.1 71.5 -75.2 -15.2 8.3 16.5 28.1 61 61 A R T 345S+ 0 0 55 -10,-0.2 12,-2.1 11,-0.2 -1,-0.2 0.898 121.3 5.5 -70.7 -33.8 8.9 18.7 31.2 62 62 A W T <45S+ 0 0 124 -3,-0.6 13,-3.3 10,-0.2 -2,-0.2 0.760 132.2 37.6-117.5 -34.3 5.2 19.0 32.1 63 63 A W T <5S+ 0 0 27 -4,-2.1 13,-2.2 11,-0.3 15,-0.3 0.793 108.8 20.1-101.2 -30.8 3.0 16.8 29.9 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 11,-0.1 10,-0.4 -0.926 66.9-116.8-140.1 161.2 4.5 13.5 29.0 65 65 A N B +e 79 0D 77 13,-2.3 15,-2.3 -2,-0.3 16,-0.4 -0.894 30.8 163.9-103.7 123.4 7.2 11.1 30.2 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 -5,-0.0 0.268 52.0-121.5-113.6 4.3 10.1 10.4 27.9 67 67 A G S S+ 0 0 64 2,-0.2 -2,-0.1 -7,-0.1 -7,-0.0 0.462 98.7 72.2 71.3 1.3 12.3 9.0 30.6 68 68 A R + 0 0 123 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.159 68.3 90.9-132.7 20.0 15.1 11.5 30.2 69 69 A T S > S- 0 0 10 -9,-0.1 3,-1.9 -19,-0.0 -2,-0.2 -0.889 71.6-138.5-118.8 96.9 13.7 14.8 31.5 70 70 A P T 3 S+ 0 0 113 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.329 87.9 14.3 -56.7 128.2 14.6 15.1 35.2 71 71 A G T 3 S+ 0 0 70 1,-0.2 -10,-0.0 2,-0.0 2,-0.0 0.640 84.2 165.3 82.4 13.0 11.6 16.4 37.2 72 72 A S < - 0 0 28 -3,-1.9 -10,-0.2 1,-0.1 -1,-0.2 -0.375 28.0-154.6 -59.4 143.1 9.1 15.9 34.4 73 73 A R - 0 0 159 -12,-2.1 -11,-0.2 -9,-0.1 -1,-0.1 0.638 10.9-151.5 -96.4 -15.7 5.5 16.1 35.8 74 74 A N > + 0 0 33 -10,-0.4 3,-1.9 -14,-0.4 -11,-0.3 0.845 24.7 171.6 43.7 51.8 3.8 13.9 33.1 75 75 A L T 3 S+ 0 0 57 -13,-3.3 -12,-0.2 1,-0.3 -11,-0.1 0.724 75.4 48.8 -62.5 -25.0 0.4 15.7 33.5 76 76 A d T 3 S- 0 0 16 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.463 104.3-133.6 -93.8 1.5 -1.2 13.9 30.5 77 77 A N < + 0 0 135 -3,-1.9 -13,-0.1 -14,-0.2 -2,-0.1 0.882 63.8 109.7 44.2 60.8 -0.0 10.5 31.9 78 78 A I S S- 0 0 36 -15,-0.3 -13,-2.3 12,-0.0 2,-0.3 -0.977 74.8-102.5-154.0 151.9 1.4 9.1 28.7 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.615 37.5-119.8 -76.9 144.3 4.8 8.3 27.4 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-1.6 1,-0.3 4,-0.2 0.802 109.1 69.9 -55.4 -29.2 5.9 11.0 24.9 81 81 A S G > S+ 0 0 84 -16,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.789 86.4 66.3 -60.4 -27.8 6.2 8.3 22.1 82 82 A A G X S+ 0 0 34 -3,-1.8 3,-1.0 1,-0.3 -1,-0.3 0.795 92.6 63.5 -64.3 -24.9 2.4 8.0 22.1 83 83 A L G < S+ 0 0 2 -3,-1.6 -28,-0.5 -4,-0.4 -1,-0.3 0.527 93.9 60.5 -77.3 -6.9 2.4 11.6 20.8 84 84 A L G < S+ 0 0 43 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.382 78.8 120.1-102.0 1.5 4.2 10.6 17.6 85 85 A S S < S- 0 0 56 -3,-1.0 6,-0.1 2,-0.2 -3,-0.0 -0.163 73.7-123.1 -62.6 156.3 1.5 8.2 16.4 86 86 A S S S+ 0 0 74 -45,-0.0 2,-0.7 2,-0.0 -1,-0.1 0.716 101.1 77.9 -73.3 -20.3 -0.4 8.6 13.1 87 87 A D S S- 0 0 87 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.836 73.5-158.8 -88.8 119.4 -3.6 8.6 15.2 88 88 A I > + 0 0 6 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.486 61.6 105.7 -81.4 -1.3 -3.8 12.0 16.8 89 89 A T H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.876 81.3 45.9 -44.9 -52.4 -6.1 11.1 19.7 90 90 A A H > S+ 0 0 27 -3,-0.5 4,-2.2 -8,-0.2 -1,-0.2 0.914 113.9 49.2 -61.5 -42.6 -3.4 11.2 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.6 -9,-0.2 -1,-0.2 0.929 113.2 47.3 -62.8 -43.9 -2.0 14.5 21.1 92 92 A V H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.926 111.5 49.2 -63.9 -45.4 -5.5 16.0 21.0 93 93 A N H X S+ 0 0 75 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.896 114.8 45.3 -62.4 -40.2 -6.5 14.8 24.5 94 94 A d H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 3,-0.4 0.919 109.2 55.0 -69.5 -42.4 -3.3 16.2 25.9 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.860 102.4 58.9 -59.2 -35.8 -3.6 19.5 24.0 96 96 A K H X S+ 0 0 44 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.911 107.6 45.3 -60.5 -41.4 -7.1 19.9 25.6 97 97 A K H X S+ 0 0 109 -4,-1.2 4,-0.6 -3,-0.4 3,-0.3 0.932 113.4 50.6 -66.6 -45.4 -5.6 19.8 29.1 98 98 A I H >< S+ 0 0 9 -4,-2.2 3,-1.9 1,-0.2 5,-0.4 0.964 110.8 47.1 -56.6 -53.7 -2.8 22.2 28.1 99 99 A V H 3< S+ 0 0 4 -4,-3.1 5,-0.5 1,-0.3 3,-0.4 0.723 110.3 54.0 -64.3 -20.5 -5.1 24.8 26.5 100 100 A S H 3< S+ 0 0 32 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.539 82.5 97.1 -88.0 -5.1 -7.3 24.6 29.7 101 101 A D S << S- 0 0 109 -3,-1.9 -1,-0.2 -4,-0.6 -2,-0.1 0.453 106.6 -96.3 -64.6 -6.4 -4.3 25.3 31.8 102 102 A G S S+ 0 0 68 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.112 114.1 72.2 113.4 -24.6 -5.0 29.0 32.2 103 103 A N S > S- 0 0 111 -5,-0.4 3,-1.6 1,-0.3 -4,-0.1 0.400 81.3-154.5-103.3 1.2 -2.8 30.5 29.4 104 104 A G G > - 0 0 10 -5,-0.5 3,-1.2 1,-0.2 -1,-0.3 -0.254 64.8 -20.5 59.6-147.6 -4.9 29.2 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.486 115.9 91.3 -74.8 0.2 -3.0 28.7 23.2 106 106 A N G < + 0 0 37 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.653 68.5 80.4 -67.8 -13.1 -0.2 31.0 24.3 107 107 A A G < S+ 0 0 57 -3,-1.2 2,-0.8 1,-0.2 -1,-0.3 0.721 83.4 68.8 -62.8 -24.8 1.3 27.8 25.6 108 108 A W S X> S- 0 0 9 -3,-2.0 4,-2.4 1,-0.2 3,-0.8 -0.874 72.2-161.8-101.6 107.5 2.4 27.3 22.0 109 109 A V H 3> S+ 0 0 72 -2,-0.8 4,-2.7 1,-0.3 5,-0.2 0.814 91.0 54.4 -57.0 -35.0 5.0 29.8 21.0 110 110 A A H 3> S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.852 109.1 48.6 -70.7 -29.6 4.5 29.3 17.3 111 111 A W H <>>S+ 0 0 12 -3,-0.8 5,-3.1 -6,-0.2 4,-2.3 0.952 112.7 47.6 -71.1 -49.5 0.8 30.0 17.8 112 112 A R H <5S+ 0 0 109 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.939 121.7 35.7 -55.3 -46.9 1.5 33.2 19.8 113 113 A N H <5S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.722 133.2 19.5 -84.6 -21.6 4.1 34.4 17.3 114 114 A R H <5S+ 0 0 145 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.533 129.4 30.9-128.2 -10.5 2.6 33.3 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.4 -3,-0.2 0.697 84.8 103.1-116.5 -40.5 -1.1 32.6 14.3 116 116 A K T 3 + 0 0 79 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.547 53.7 171.1 -78.4 81.8 -6.7 35.6 9.6 120 120 A V G > + 0 0 10 -2,-2.1 3,-1.6 1,-0.3 4,-0.3 0.691 63.6 78.6 -68.7 -14.4 -6.7 32.0 10.8 121 121 A Q G >> S+ 0 0 107 1,-0.3 3,-1.8 2,-0.2 4,-0.8 0.811 79.2 71.6 -61.9 -28.9 -9.8 31.2 8.8 122 122 A A G X4 S+ 0 0 39 -3,-1.4 3,-0.6 1,-0.3 -1,-0.3 0.814 85.5 67.7 -58.0 -28.5 -7.6 30.9 5.8 123 123 A W G <4 S+ 0 0 55 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.658 109.3 32.9 -67.8 -19.9 -6.2 27.6 7.2 124 124 A I G X4 S+ 0 0 51 -3,-1.8 3,-2.0 -4,-0.3 -1,-0.2 0.394 88.4 130.9-114.5 1.2 -9.5 25.8 6.8 125 125 A R T << S+ 0 0 142 -4,-0.8 3,-0.1 -3,-0.6 -119,-0.0 -0.244 75.3 15.0 -57.3 134.1 -10.5 27.6 3.6 126 126 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -120,-0.0 -1,-0.3 0.366 94.9 132.1 83.2 -2.6 -11.6 25.3 0.9 127 127 A a < - 0 0 22 -3,-2.0 2,-1.1 1,-0.1 -1,-0.2 -0.588 60.9-126.6 -88.7 142.6 -12.0 22.2 3.1 128 128 A R 0 0 244 -2,-0.3 -1,-0.1 1,-0.2 -118,-0.0 -0.746 360.0 360.0 -85.3 100.0 -15.0 19.9 3.2 129 129 A L 0 0 94 -2,-1.1 -1,-0.2 -5,-0.1 -2,-0.0 0.532 360.0 360.0-114.6 360.0 -15.8 20.0 6.9