==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-01 1JIS . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.DATTA,B.K.BISWAL,M.VIJAYAN . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 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 87 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 138.8 2.5 10.5 9.2 2 2 A V B -A 39 0A 94 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.915 360.0-145.4-105.0 115.5 2.4 13.9 7.4 3 3 A F - 0 0 13 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.397 8.5-124.1 -79.1 155.5 -1.2 15.2 7.2 4 4 A G > - 0 0 36 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.606 34.4-107.3 -89.4 159.8 -2.7 17.2 4.4 5 5 A R H > S+ 0 0 69 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.952 117.9 35.4 -53.6 -57.6 -4.2 20.6 5.5 6 6 A a H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.846 112.7 60.3 -67.8 -34.8 -7.9 19.5 5.1 7 7 A E H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 109.5 43.1 -59.7 -41.6 -7.2 16.0 6.3 8 8 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.892 109.9 55.3 -71.9 -40.5 -6.0 17.3 9.6 9 9 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.930 110.3 47.9 -57.3 -43.8 -8.7 19.9 10.0 10 10 A A H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.895 111.8 48.6 -63.6 -42.7 -11.2 17.0 9.6 11 11 A A H X S+ 0 0 18 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.890 113.2 47.5 -65.4 -40.3 -9.4 14.8 12.1 12 12 A M H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 6,-0.4 0.894 110.2 51.3 -68.8 -40.3 -9.3 17.7 14.7 13 13 A K H ><5S+ 0 0 86 -4,-2.4 3,-1.5 -5,-0.2 -2,-0.2 0.914 108.9 52.4 -62.9 -40.8 -12.9 18.6 14.2 14 14 A R H 3<5S+ 0 0 197 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.4 53.4 -64.9 -31.7 -13.9 15.0 14.8 15 15 A H T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.254 122.4-105.0 -88.8 14.1 -11.9 14.9 18.0 16 16 A G T < 5S+ 0 0 35 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.724 82.2 125.5 74.9 26.4 -13.7 18.0 19.3 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.2 2,-0.1 2,-0.3 0.723 38.3 106.3 -87.5 -22.2 -11.1 20.7 18.9 18 18 A D T 3 S- 0 0 55 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.437 104.5 -7.1 -63.0 118.8 -13.3 23.1 16.8 19 19 A N T > S+ 0 0 101 4,-1.5 3,-2.3 -2,-0.3 2,-0.3 0.559 91.1 162.8 71.1 11.1 -14.2 25.9 19.2 20 20 A Y B X S-B 23 0B 66 -3,-2.2 3,-1.7 3,-0.6 -1,-0.2 -0.467 78.5 -7.7 -64.3 122.2 -12.7 24.1 22.1 21 21 A R T 3 S- 0 0 162 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.791 134.5 -58.2 58.8 27.4 -12.2 26.7 24.9 22 22 A G T < S+ 0 0 67 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.494 103.9 130.8 84.6 3.5 -13.2 29.3 22.3 23 23 A Y B < -B 20 0B 47 -3,-1.7 -4,-1.5 -6,-0.2 -3,-0.6 -0.823 52.6-135.8 -97.1 110.6 -10.5 28.5 19.7 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.6 -5,-0.2 4,-0.9 -0.149 27.4-103.7 -59.1 156.3 -11.8 28.1 16.2 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.828 117.6 64.7 -52.0 -39.3 -10.5 25.2 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.833 97.1 58.3 -55.9 -32.9 -8.3 27.4 12.0 27 27 A N H <> S+ 0 0 21 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.936 106.9 45.3 -62.2 -48.4 -6.3 28.2 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.857 113.6 48.8 -65.6 -37.6 -5.4 24.5 15.8 29 29 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.889 111.7 49.9 -70.7 -37.9 -4.5 23.8 12.2 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.913 110.4 50.2 -65.1 -42.8 -2.3 26.9 12.1 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.919 111.6 48.2 -62.3 -42.3 -0.6 25.9 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 6,-1.1 0.914 108.0 55.9 -63.3 -44.0 0.1 22.4 13.9 33 33 A K H X5S+ 0 0 60 -4,-2.4 4,-1.4 4,-0.2 -2,-0.2 0.948 116.9 33.6 -53.6 -53.9 1.4 23.8 10.6 34 34 A F H <5S+ 0 0 57 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.689 118.2 51.6 -81.6 -17.9 4.1 25.9 12.3 35 35 A E H <5S- 0 0 35 -4,-1.9 -2,-0.2 20,-0.2 -3,-0.2 0.883 138.0 -6.3 -83.8 -39.1 4.9 23.6 15.2 36 36 A S H ><5S- 0 0 11 -4,-2.4 3,-1.1 19,-0.4 -3,-0.2 0.413 86.4-114.4-137.0 -1.6 5.5 20.4 13.2 37 37 A N T 3< - 0 0 55 4,-3.0 3,-1.9 -2,-0.3 -1,-0.0 -0.607 26.4-108.5-102.6 163.2 15.2 22.3 24.1 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.811 115.8 62.9 -59.5 -30.2 18.2 23.9 25.9 48 48 A D T 3 S- 0 0 94 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.364 120.4-105.1 -78.7 7.6 16.6 22.8 29.3 49 49 A G S < S+ 0 0 24 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.297 84.2 119.8 89.5 -11.9 16.9 19.1 28.3 50 50 A S - 0 0 1 19,-0.1 -4,-3.0 -5,-0.1 2,-0.3 -0.342 51.7-142.4 -81.7 168.4 13.2 18.7 27.6 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.1 -3,-0.1 2,-0.4 -0.982 3.7-137.0-135.1 145.9 11.9 17.6 24.3 52 52 A D E -CD 44 59C 28 -8,-2.9 -8,-1.6 -2,-0.3 2,-0.4 -0.854 26.3-160.2-101.6 138.7 8.8 18.6 22.3 53 53 A Y E > -CD 43 58C 24 5,-1.9 5,-2.2 -2,-0.4 3,-0.3 -0.949 32.3 -11.1-129.2 140.8 6.8 15.8 20.6 54 54 A G T > 5S- 0 0 0 -12,-2.1 3,-1.5 -2,-0.4 30,-0.2 -0.113 97.8 -36.2 81.9-175.1 4.3 15.4 17.8 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.784 142.0 36.6 -58.1 -31.5 2.1 17.6 15.6 56 56 A L T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.276 106.3-127.3-106.4 10.4 1.4 20.0 18.5 57 57 A Q T < 5 - 0 0 12 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.904 30.0-163.3 44.6 62.4 4.9 19.7 19.9 58 58 A I E < -D 53 0C 1 -5,-2.2 -5,-1.9 -6,-0.1 2,-0.2 -0.594 17.3-120.6 -78.7 129.8 3.9 18.8 23.5 59 59 A N E >>> -D 52 0C 28 -2,-0.3 4,-1.9 -7,-0.2 5,-0.7 -0.485 5.8-145.0 -79.2 138.8 6.8 19.3 26.0 60 60 A S T 345S+ 0 0 0 -9,-2.1 6,-0.2 1,-0.2 9,-0.1 0.585 89.1 75.5 -76.6 -12.6 8.2 16.6 28.2 61 61 A R T 345S+ 0 0 83 -10,-0.1 12,-2.6 11,-0.1 -1,-0.2 0.871 121.3 0.2 -69.5 -32.1 8.9 18.8 31.2 62 62 A W T <45S+ 0 0 81 -3,-0.6 13,-2.9 10,-0.2 -2,-0.2 0.697 131.4 43.4-125.9 -30.0 5.2 18.9 32.2 63 63 A W T <5S+ 0 0 29 -4,-1.9 13,-2.0 11,-0.2 15,-0.4 0.790 108.3 16.0 -98.2 -29.3 3.0 16.9 29.9 64 64 A c < - 0 0 0 -5,-0.7 2,-0.6 9,-0.3 -1,-0.1 -0.948 67.6-114.5-142.8 163.7 4.5 13.5 29.0 65 65 A N B +e 79 0D 75 13,-2.3 15,-2.1 -2,-0.3 16,-0.4 -0.883 32.2 161.4-105.3 123.0 7.1 11.1 30.2 66 66 A D - 0 0 37 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.266 52.8-120.8-118.2 8.3 10.1 10.4 28.0 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.449 98.7 73.1 68.8 1.5 12.4 9.0 30.7 68 68 A R + 0 0 115 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.137 67.7 89.6-133.0 22.0 15.1 11.6 30.2 69 69 A T S > S- 0 0 14 -9,-0.1 3,-1.3 3,-0.0 -2,-0.1 -0.838 72.4-139.9-121.5 90.5 13.7 14.8 31.6 70 70 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.136 80.0 6.9 -51.5 139.9 14.6 15.0 35.3 71 71 A G T 3 S+ 0 0 74 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.761 94.7 150.6 58.8 27.3 12.0 16.3 37.7 72 72 A S < - 0 0 33 -3,-1.3 2,-0.2 1,-0.0 -10,-0.2 -0.560 40.8-134.5 -90.7 155.6 9.4 16.4 35.0 73 73 A R - 0 0 144 -12,-2.6 -9,-0.3 -2,-0.2 3,-0.1 -0.646 1.8-147.7-100.6 163.0 5.7 16.0 35.5 74 74 A N > + 0 0 53 -2,-0.2 3,-1.8 -11,-0.1 -11,-0.2 -0.525 30.4 163.0-130.0 62.4 3.6 13.7 33.4 75 75 A L T 3 S+ 0 0 87 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.747 76.3 47.4 -56.0 -30.5 0.3 15.7 33.5 76 76 A d T 3 S- 0 0 11 -13,-2.0 -1,-0.3 2,-0.2 -12,-0.1 0.533 105.2-133.7 -89.3 -4.7 -1.2 14.0 30.5 77 77 A N < + 0 0 134 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.913 63.5 111.1 53.5 53.9 -0.2 10.6 32.0 78 78 A I S S- 0 0 36 -15,-0.4 -13,-2.3 16,-0.0 2,-0.2 -0.990 74.5-102.2-150.4 153.9 1.3 9.2 28.8 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.576 36.1-124.3 -75.3 143.9 4.7 8.2 27.4 80 80 A c G > S+ 0 0 0 -15,-2.1 3,-2.1 1,-0.3 4,-0.2 0.832 107.5 70.1 -59.1 -30.2 5.8 11.0 25.0 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.789 86.6 66.5 -57.9 -26.9 6.2 8.3 22.2 82 82 A A G X S+ 0 0 32 -3,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.751 90.8 64.9 -65.8 -22.7 2.4 8.0 22.2 83 83 A L G < S+ 0 0 1 -3,-2.1 -28,-0.5 -4,-0.4 -1,-0.3 0.468 93.2 61.3 -79.3 -1.0 2.3 11.6 20.8 84 84 A L G < S+ 0 0 45 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.422 78.1 120.6-104.0 -0.7 4.1 10.5 17.6 85 85 A S S < S- 0 0 53 -3,-1.0 6,-0.1 2,-0.2 -3,-0.0 -0.179 72.8-125.0 -63.3 154.8 1.4 8.1 16.5 86 86 A S S S+ 0 0 75 2,-0.1 2,-0.7 -45,-0.0 -1,-0.1 0.692 101.8 78.5 -72.3 -17.8 -0.4 8.5 13.2 87 87 A D S > S- 0 0 90 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.842 72.7-161.6 -90.1 113.4 -3.6 8.5 15.3 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.6 1,-0.2 3,-0.3 0.467 60.9 106.4 -79.2 1.3 -3.7 12.0 16.8 89 89 A T H 3> S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 79.9 46.6 -44.9 -53.7 -6.1 11.0 19.6 90 90 A A H <> S+ 0 0 27 -3,-0.5 4,-2.1 -8,-0.2 -1,-0.2 0.885 112.4 50.0 -59.6 -42.4 -3.5 11.2 22.3 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.916 112.2 48.2 -62.9 -43.6 -2.1 14.5 21.1 92 92 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.942 110.8 49.6 -62.3 -50.2 -5.6 16.0 21.0 93 93 A N H X S+ 0 0 75 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.882 114.9 44.5 -57.9 -40.4 -6.5 14.8 24.5 94 94 A d H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 3,-0.5 0.899 110.1 54.8 -71.6 -40.6 -3.3 16.2 26.0 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.861 102.5 58.3 -61.2 -34.2 -3.7 19.5 24.1 96 96 A K H X S+ 0 0 44 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.876 108.0 46.0 -63.7 -34.8 -7.1 19.9 25.6 97 97 A K H < S+ 0 0 104 -4,-1.0 3,-0.5 -3,-0.5 4,-0.3 0.914 112.7 50.4 -72.1 -43.1 -5.5 19.8 29.1 98 98 A I H >< S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.933 108.5 50.0 -60.3 -49.2 -2.8 22.2 28.1 99 99 A V H 3< S+ 0 0 6 -4,-2.8 3,-0.4 1,-0.3 5,-0.4 0.672 108.0 54.9 -67.2 -16.1 -5.1 24.8 26.6 100 100 A S T 3< S+ 0 0 42 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.444 81.8 95.8 -93.3 -2.0 -7.3 24.7 29.8 101 101 A D S < S- 0 0 104 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.584 106.5 -94.4 -66.0 -14.8 -4.2 25.4 31.9 102 102 A G S S+ 0 0 68 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 -0.018 113.8 70.0 126.4 -33.8 -4.8 29.2 32.1 103 103 A N S > S- 0 0 112 -5,-0.3 3,-1.6 1,-0.3 4,-0.1 0.355 82.9-152.0 -98.9 6.6 -2.7 30.7 29.3 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.1 1,-0.2 -1,-0.3 -0.268 64.7 -20.0 59.9-143.3 -4.9 29.3 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.3 0.504 116.3 90.9 -77.7 -2.7 -3.1 28.7 23.2 106 106 A N G < + 0 0 52 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.646 68.0 81.0 -64.9 -12.4 -0.3 31.1 24.2 107 107 A A G < S+ 0 0 55 -3,-1.1 2,-0.7 1,-0.1 -1,-0.3 0.668 82.4 70.3 -66.1 -17.1 1.2 27.9 25.6 108 108 A W S <> S- 0 0 9 -3,-2.2 4,-2.2 1,-0.1 3,-0.4 -0.913 73.5-158.8-105.5 111.4 2.3 27.2 22.0 109 109 A V H > S+ 0 0 81 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.845 90.3 52.1 -58.5 -37.6 5.0 29.7 20.9 110 110 A A H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.846 109.0 50.9 -70.2 -31.9 4.4 29.3 17.2 111 111 A W H >>S+ 0 0 12 -3,-0.4 5,-3.5 -6,-0.2 4,-2.2 0.944 111.7 47.2 -68.1 -46.7 0.7 30.0 17.6 112 112 A R H <5S+ 0 0 106 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.902 122.5 34.9 -60.9 -41.9 1.4 33.1 19.6 113 113 A N H <5S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.738 133.8 20.8 -88.0 -22.1 4.0 34.4 17.1 114 114 A R H <5S+ 0 0 141 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.559 130.6 28.4-125.5 -9.6 2.6 33.2 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.1 -5,-0.4 -3,-0.2 0.712 86.5 101.1-118.2 -43.4 -1.1 32.5 14.2 116 116 A K T 3 + 0 0 103 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.554 52.7 171.3 -79.9 81.9 -6.8 35.4 9.6 120 120 A V G > + 0 0 13 -2,-2.0 3,-1.8 1,-0.3 4,-0.2 0.686 63.4 78.1 -67.3 -19.0 -6.7 31.8 10.8 121 121 A Q G >> S+ 0 0 141 1,-0.3 3,-2.0 2,-0.2 4,-0.6 0.807 79.6 74.7 -59.7 -26.8 -9.9 30.9 8.9 122 122 A A G X4 S+ 0 0 32 -3,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.809 82.9 67.0 -55.4 -29.9 -7.7 30.7 5.9 123 123 A W G <4 S+ 0 0 54 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.652 108.4 35.4 -69.6 -14.2 -6.3 27.4 7.2 124 124 A I G X4 S+ 0 0 49 -3,-2.0 3,-1.8 -4,-0.2 -1,-0.2 0.361 85.6 125.9-118.2 3.4 -9.6 25.6 6.7 125 125 A R T << S+ 0 0 153 -3,-0.7 3,-0.1 -4,-0.6 -119,-0.0 -0.322 76.9 20.0 -62.2 144.6 -10.8 27.3 3.5 126 126 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 -120,-0.0 -1,-0.3 0.385 95.6 130.9 77.6 -5.4 -11.7 24.9 0.7 127 127 A a < - 0 0 21 -3,-1.8 2,-1.3 1,-0.1 -1,-0.3 -0.638 62.2-129.2 -86.2 137.9 -12.0 22.1 3.2 128 128 A R 0 0 242 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.707 360.0 360.0 -85.7 93.9 -15.1 19.8 3.1 129 129 A L 0 0 95 -2,-1.3 -1,-0.2 -5,-0.1 -2,-0.0 0.665 360.0 360.0-117.1 360.0 -16.0 20.0 6.8