==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAR-04 1VDT . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE,L.J.DELUCAS, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6626.0 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 . 34 26.4 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 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 87 0, 0.0 39,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 130.6 10.3 2.1 29.0 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.970 360.0-143.3 -97.6 115.9 13.7 2.3 30.7 3 3 A F - 0 0 14 35,-2.8 2,-0.2 -2,-0.6 3,-0.0 -0.525 7.6-120.6 -80.3 151.0 14.9 -1.3 30.8 4 4 A G > - 0 0 35 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.596 31.8-113.3 -78.3 156.8 16.8 -3.0 33.6 5 5 A R H > S+ 0 0 85 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.964 116.0 38.3 -59.1 -54.3 20.2 -4.4 32.4 6 6 A a H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 114.7 56.5 -70.0 -31.4 19.3 -8.1 32.9 7 7 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 109.8 44.4 -60.9 -46.8 15.8 -7.5 31.7 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.934 110.7 54.5 -67.2 -42.2 17.1 -6.1 28.4 9 9 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.940 109.4 48.4 -57.0 -44.4 19.6 -9.0 28.1 10 10 A A H X S+ 0 0 45 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.897 112.9 47.1 -65.1 -41.3 16.8 -11.5 28.4 11 11 A A H X S+ 0 0 16 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.893 113.4 48.2 -67.2 -40.2 14.6 -9.8 25.8 12 12 A M H <>S+ 0 0 2 -4,-2.8 5,-2.4 2,-0.2 6,-0.3 0.914 112.1 50.1 -64.8 -39.2 17.6 -9.4 23.4 13 13 A K H ><5S+ 0 0 83 -4,-2.6 3,-2.5 -5,-0.3 5,-0.2 0.964 109.6 50.5 -62.2 -50.0 18.4 -13.2 23.9 14 14 A R H 3<5S+ 0 0 184 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.6 53.8 -56.3 -36.9 14.8 -14.2 23.3 15 15 A H T 3<5S- 0 0 29 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.394 122.1-105.7 -82.1 3.3 14.8 -12.2 20.1 16 16 A G T < 5S+ 0 0 36 -3,-2.5 -3,-0.2 -4,-0.1 -2,-0.1 0.690 80.6 124.8 88.7 20.6 17.9 -13.9 18.8 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.4 2,-0.1 2,-0.3 0.697 36.2 108.6 -87.1 -18.6 20.7 -11.4 19.2 18 18 A D T 3 S- 0 0 68 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.468 106.2 -9.0 -67.5 118.6 23.1 -13.5 21.3 19 19 A N T > S+ 0 0 94 4,-1.2 3,-2.0 -2,-0.3 2,-0.3 0.569 89.4 164.8 62.3 26.1 25.9 -14.3 18.9 20 20 A Y B X S-B 23 0B 71 -3,-2.4 3,-1.5 3,-0.6 -1,-0.2 -0.505 80.0 -7.2 -69.8 121.3 24.0 -12.8 16.0 21 21 A R T 3 S- 0 0 156 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.758 134.7 -57.0 57.8 29.0 26.7 -12.3 13.2 22 22 A G T < S+ 0 0 58 -3,-2.0 2,-0.7 1,-0.2 -1,-0.3 0.331 105.9 126.4 91.5 -4.0 29.3 -13.3 15.8 23 23 A Y B < -B 20 0B 50 -3,-1.5 -4,-1.2 -6,-0.1 -3,-0.6 -0.728 54.4-137.1 -97.0 114.2 28.5 -10.6 18.4 24 24 A S >> - 0 0 41 -2,-0.7 3,-1.8 -5,-0.2 4,-0.9 -0.239 27.8-101.7 -64.7 159.4 27.9 -12.0 21.8 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.810 117.7 65.0 -52.7 -37.2 25.0 -10.6 23.9 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.832 98.1 56.4 -58.8 -31.2 27.2 -8.4 26.1 27 27 A N H <> S+ 0 0 20 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.927 107.8 46.7 -64.2 -43.5 28.1 -6.3 23.0 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.4 -2,-0.2 0.888 113.6 47.4 -68.3 -41.4 24.4 -5.6 22.3 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.918 112.4 50.2 -67.9 -40.5 23.6 -4.7 26.0 30 30 A b H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.949 110.6 49.9 -60.5 -46.6 26.8 -2.4 26.1 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.943 111.2 48.1 -60.0 -48.3 25.6 -0.7 22.8 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 6,-1.3 0.906 110.2 54.6 -57.8 -42.5 22.1 -0.1 24.2 33 33 A K H X5S+ 0 0 59 -4,-2.5 4,-1.5 4,-0.2 -2,-0.2 0.952 117.1 33.1 -55.8 -52.7 23.6 1.3 27.4 34 34 A F H <5S+ 0 0 57 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.763 120.4 49.6 -85.1 -20.1 25.8 3.9 25.8 35 35 A E H <5S- 0 0 41 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.912 138.1 -4.9 -80.3 -41.2 23.5 4.7 22.8 36 36 A S H ><5S- 0 0 12 -4,-2.5 3,-1.4 19,-0.4 -3,-0.2 0.336 85.2-116.2-131.9 -4.7 20.3 5.2 24.8 37 37 A N T 3< - 0 0 54 4,-3.1 3,-2.2 -2,-0.3 -1,-0.0 -0.691 25.4-109.4-107.0 164.7 22.0 15.1 14.0 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.819 116.4 59.5 -62.7 -35.0 23.5 17.9 12.0 48 48 A D T 3 S- 0 0 97 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.368 122.2-106.5 -75.0 3.1 22.6 16.5 8.7 49 49 A G S < S+ 0 0 20 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.410 82.3 121.5 89.8 -5.3 18.9 16.7 9.9 50 50 A S - 0 0 1 19,-0.1 -4,-3.1 -5,-0.0 2,-0.4 -0.461 51.3-142.0 -81.4 170.8 18.4 13.0 10.4 51 51 A T E -C 45 0C 4 -6,-0.2 9,-2.4 -2,-0.1 2,-0.4 -0.967 5.0-132.3-135.1 146.9 17.4 11.7 13.9 52 52 A D E -CD 44 59C 27 -8,-2.8 -8,-1.8 -2,-0.4 2,-0.4 -0.850 27.0-153.7 -99.1 139.3 18.3 8.6 15.8 53 53 A Y E > -CD 43 58C 23 5,-2.1 5,-2.5 -2,-0.4 3,-0.4 -0.950 31.1 -28.8-127.6 131.4 15.6 6.5 17.4 54 54 A G T > 5S- 0 0 0 -12,-2.2 3,-1.5 -2,-0.4 30,-0.2 -0.081 97.7 -20.3 82.3-165.0 15.1 4.2 20.3 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.783 141.8 30.8 -57.2 -35.4 17.1 1.7 22.3 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.191 106.2-122.4-116.4 21.0 19.7 1.3 19.6 57 57 A Q T < 5 - 0 0 14 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.910 34.9-165.6 43.5 59.6 19.5 4.8 18.1 58 58 A I E < -D 53 0C 2 -5,-2.5 -5,-2.1 -6,-0.1 2,-0.3 -0.597 17.2-120.4 -81.7 136.0 18.7 3.8 14.6 59 59 A N E >>> -D 52 0C 26 -2,-0.3 4,-2.1 -7,-0.2 3,-0.7 -0.560 5.3-144.4 -89.6 138.6 19.0 6.6 12.1 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.3 -2,-0.3 6,-0.3 0.522 91.0 71.3 -77.4 -10.5 16.3 8.0 9.8 61 61 A R T 345S+ 0 0 73 11,-0.2 12,-2.1 -10,-0.2 -1,-0.2 0.890 120.6 7.2 -72.9 -34.0 18.5 8.7 6.8 62 62 A W T <45S+ 0 0 108 -3,-0.7 13,-3.0 10,-0.2 -2,-0.2 0.746 131.8 35.0-113.9 -36.0 18.9 5.0 6.0 63 63 A W T <5S+ 0 0 25 -4,-2.1 13,-2.1 11,-0.3 15,-0.4 0.791 108.2 19.3-110.1 -28.1 16.7 2.8 8.1 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 11,-0.1 10,-0.4 -0.962 68.2-114.5-143.3 159.9 13.3 4.1 9.1 65 65 A N B +e 79 0D 67 13,-2.6 15,-2.4 -2,-0.3 16,-0.4 -0.832 32.0 163.6-101.9 124.1 10.9 6.8 7.9 66 66 A D - 0 0 34 -2,-0.5 -1,-0.1 -6,-0.3 -6,-0.0 0.244 51.5-119.2-115.6 5.1 10.2 9.8 10.0 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.509 100.0 67.2 74.0 5.8 8.7 12.1 7.4 68 68 A R + 0 0 124 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.163 69.4 91.5-142.8 18.4 11.3 14.9 7.8 69 69 A T S > S- 0 0 11 -9,-0.1 3,-1.2 -19,-0.0 -2,-0.1 -0.934 73.4-135.7-118.8 100.9 14.7 13.5 6.6 70 70 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.406 86.9 13.4 -59.8 126.8 15.0 14.3 2.8 71 71 A G T 3 S+ 0 0 44 1,-0.2 2,-0.1 -2,-0.1 0, 0.0 0.802 83.2 169.1 77.1 29.9 16.2 11.3 0.8 72 72 A S < - 0 0 33 -3,-1.2 -10,-0.2 1,-0.1 -1,-0.2 -0.486 26.2-154.3 -69.4 141.4 15.6 8.9 3.6 73 73 A R - 0 0 135 -12,-2.1 -11,-0.2 -2,-0.1 -1,-0.1 0.703 11.2-153.7 -91.1 -21.6 16.0 5.3 2.2 74 74 A N > + 0 0 38 -10,-0.4 3,-1.8 -14,-0.3 -11,-0.3 0.851 25.3 168.2 44.5 53.7 13.7 3.5 4.8 75 75 A L T 3 S+ 0 0 82 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.776 73.8 51.0 -69.4 -25.5 15.5 0.1 4.5 76 76 A d T 3 S- 0 0 12 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.502 104.2-135.5 -86.1 -2.4 13.8 -1.5 7.6 77 77 A N < + 0 0 131 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.874 62.9 113.0 49.0 55.4 10.4 -0.3 6.1 78 78 A I S S- 0 0 34 -15,-0.4 -13,-2.6 12,-0.0 2,-0.2 -0.982 74.1-103.8-143.4 150.6 9.0 1.0 9.3 79 79 A P B >> -e 65 0D 70 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.599 36.2-121.8 -68.4 141.8 8.1 4.5 10.7 80 80 A c G >4 S+ 0 0 1 -15,-2.4 3,-1.7 1,-0.3 4,-0.2 0.850 109.6 67.6 -60.7 -29.9 10.8 5.6 13.1 81 81 A S G >4 S+ 0 0 85 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.809 87.4 68.2 -60.5 -25.5 8.2 6.0 15.9 82 82 A A G X4 S+ 0 0 32 -3,-1.8 3,-1.0 1,-0.3 -1,-0.3 0.828 91.7 62.7 -62.6 -26.2 7.8 2.2 15.8 83 83 A L G << S+ 0 0 3 -3,-1.7 -28,-0.5 -4,-0.5 -1,-0.3 0.522 93.1 62.7 -75.9 -2.7 11.4 2.1 17.2 84 84 A L G < S+ 0 0 44 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.366 77.2 121.9-103.1 -0.7 10.3 3.9 20.4 85 85 A S S < S- 0 0 53 -3,-1.0 6,-0.1 -4,-0.2 -3,-0.0 -0.165 71.9-126.2 -59.6 149.0 7.9 1.1 21.6 86 86 A S S S+ 0 0 76 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.760 101.6 76.3 -64.5 -29.1 8.3 -0.6 24.9 87 87 A D S S- 0 0 90 1,-0.1 3,-0.4 -47,-0.0 4,-0.3 -0.822 74.3-159.8 -81.1 120.8 8.3 -3.8 22.8 88 88 A I > + 0 0 7 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.413 59.6 107.3 -88.0 5.3 11.8 -4.0 21.2 89 89 A T H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 80.8 45.6 -54.1 -48.3 10.9 -6.4 18.4 90 90 A A H > S+ 0 0 26 -3,-0.4 4,-2.2 -8,-0.2 -1,-0.2 0.911 113.6 50.4 -63.9 -40.3 11.1 -3.7 15.6 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.7 -9,-0.3 -1,-0.2 0.942 112.6 47.1 -60.5 -45.2 14.4 -2.3 16.9 92 92 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 111.7 50.0 -62.6 -45.2 15.9 -5.8 17.1 93 93 A N H X S+ 0 0 83 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.867 114.7 43.7 -61.1 -39.3 14.7 -6.7 13.5 94 94 A d H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 3,-0.4 0.905 110.0 55.7 -73.7 -40.6 16.1 -3.5 12.1 95 95 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.905 102.8 57.9 -57.1 -38.5 19.4 -3.9 14.1 96 96 A K H X S+ 0 0 43 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.886 108.0 45.7 -61.0 -38.5 19.8 -7.3 12.5 97 97 A K H X S+ 0 0 100 -4,-1.0 4,-0.8 -3,-0.4 -2,-0.2 0.920 113.3 50.8 -68.5 -41.9 19.7 -5.7 9.0 98 98 A I H >< S+ 0 0 9 -4,-2.4 3,-1.5 1,-0.2 5,-0.3 0.959 109.3 48.0 -61.3 -49.5 22.1 -3.0 10.1 99 99 A V H 3< S+ 0 0 2 -4,-3.1 3,-0.5 1,-0.3 5,-0.4 0.759 109.8 55.1 -69.0 -18.2 24.7 -5.4 11.6 100 100 A S H 3< S+ 0 0 37 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.682 83.7 92.7 -82.5 -14.3 24.5 -7.5 8.4 101 101 A D S << S- 0 0 102 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.1 0.393 106.5 -90.6 -68.7 -1.1 25.3 -4.5 6.2 102 102 A G S S+ 0 0 65 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 -0.140 115.4 65.2 124.7 -42.1 29.1 -4.9 5.9 103 103 A N S > S- 0 0 113 -5,-0.3 3,-1.6 1,-0.3 4,-0.1 0.410 83.4-153.7-101.1 4.7 30.6 -2.8 8.8 104 104 A G G > - 0 0 9 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.236 65.6 -17.7 62.3-144.0 29.1 -5.0 11.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 7,-0.3 0.565 115.7 90.8 -77.3 -2.8 28.5 -3.3 14.9 106 106 A N G < + 0 0 47 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.703 68.6 81.4 -62.4 -12.7 30.9 -0.4 13.9 107 107 A A G < S+ 0 0 55 -3,-1.4 2,-0.7 1,-0.1 -1,-0.3 0.754 81.8 70.0 -59.6 -23.6 27.6 1.1 12.6 108 108 A W S <> S- 0 0 10 -3,-2.2 4,-2.3 1,-0.2 3,-0.3 -0.859 71.5-160.7-103.4 114.0 27.0 2.2 16.2 109 109 A V H > S+ 0 0 76 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.860 91.5 53.1 -61.2 -38.1 29.4 4.9 17.3 110 110 A A H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.882 108.8 51.6 -70.8 -30.4 28.9 4.3 21.0 111 111 A W H >>S+ 0 0 12 -3,-0.3 5,-3.0 -6,-0.2 4,-2.3 0.967 112.1 44.7 -68.9 -49.7 29.8 0.6 20.5 112 112 A R H <5S+ 0 0 101 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.916 121.6 38.5 -59.5 -39.5 33.0 1.4 18.6 113 113 A N H <5S+ 0 0 111 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.757 133.1 17.7 -87.0 -23.0 34.1 4.0 21.1 114 114 A R H <5S+ 0 0 144 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.542 131.2 29.6-126.2 -13.0 33.0 2.5 24.4 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 -3,-0.2 0.705 84.9 101.4-117.4 -41.7 32.4 -1.2 24.0 116 116 A K T 3 + 0 0 83 -2,-0.2 3,-1.6 1,-0.2 4,-0.2 -0.523 50.7 175.8 -80.7 87.1 35.2 -6.9 28.5 120 120 A V G > + 0 0 16 -2,-2.0 3,-1.6 1,-0.3 4,-0.3 0.698 65.9 80.2 -68.1 -16.2 31.6 -6.8 27.3 121 121 A Q G > S+ 0 0 119 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.822 78.1 72.2 -59.2 -28.8 30.8 -10.0 29.3 122 122 A A G X S+ 0 0 45 -3,-1.6 3,-0.8 1,-0.3 -1,-0.3 0.796 85.2 67.4 -56.1 -28.8 30.5 -7.7 32.3 123 123 A W G < S+ 0 0 54 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.636 109.4 33.1 -69.5 -18.4 27.2 -6.4 30.9 124 124 A I G X S+ 0 0 46 -3,-1.7 3,-1.6 -4,-0.3 -1,-0.3 0.314 87.2 124.7-117.6 6.3 25.4 -9.7 31.4 125 125 A R T < S+ 0 0 130 -3,-0.8 3,-0.1 -4,-0.5 -119,-0.1 -0.423 75.9 21.7 -69.8 140.9 27.1 -10.9 34.5 126 126 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.370 95.9 126.2 87.1 -5.4 24.7 -11.7 37.4 127 127 A a < - 0 0 22 -3,-1.6 2,-1.0 1,-0.0 -1,-0.3 -0.602 65.5-127.3 -90.8 144.0 21.8 -12.2 35.0 128 128 A R 0 0 244 -2,-0.3 -118,-0.0 1,-0.2 -3,-0.0 -0.823 360.0 360.0 -87.4 102.1 19.7 -15.3 34.9 129 129 A L 0 0 101 -2,-1.0 -1,-0.2 -5,-0.1 -5,-0.0 0.669 360.0 360.0-125.2 360.0 20.0 -16.1 31.2