==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-01 1IR8 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.OHMURA,T.UEDA,Y.HASHIMOTO,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6577.0 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 . 28 21.7 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 85 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 137.9 2.5 10.6 9.4 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.898 360.0-147.3-102.4 108.6 2.5 13.9 7.5 3 3 A F - 0 0 14 35,-2.7 2,-0.3 -2,-0.7 3,-0.0 -0.363 8.5-125.5 -73.8 154.2 -1.1 15.2 7.4 4 4 A G > - 0 0 35 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.672 33.3-107.7 -90.4 156.7 -2.6 17.2 4.6 5 5 A R H > S+ 0 0 85 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.928 116.9 37.1 -51.2 -56.8 -4.2 20.5 5.7 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 114.0 57.7 -69.1 -30.0 -7.8 19.5 5.2 7 7 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 108.9 45.0 -65.4 -43.4 -7.2 16.0 6.4 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.916 111.1 53.7 -66.0 -44.6 -5.9 17.3 9.7 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.941 109.9 48.0 -54.2 -48.2 -8.7 19.8 10.1 10 10 A A H X S+ 0 0 42 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 112.7 48.0 -61.3 -43.3 -11.2 17.0 9.6 11 11 A A H X S+ 0 0 13 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.888 112.7 48.4 -66.3 -39.2 -9.5 14.8 12.2 12 12 A M H <>S+ 0 0 2 -4,-2.8 5,-2.4 2,-0.2 6,-0.3 0.893 112.2 48.8 -67.3 -40.8 -9.2 17.7 14.7 13 13 A K H ><5S+ 0 0 87 -4,-2.6 3,-2.5 -5,-0.2 -2,-0.2 0.956 109.2 51.7 -62.9 -49.2 -12.9 18.5 14.3 14 14 A R H 3<5S+ 0 0 187 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 108.1 54.8 -57.7 -29.4 -14.0 14.9 14.7 15 15 A H T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.310 122.7-104.8 -89.8 10.4 -12.0 14.9 17.9 16 16 A G T < 5S+ 0 0 37 -3,-2.5 -3,-0.2 -5,-0.0 -2,-0.1 0.691 83.1 123.0 77.8 21.7 -13.8 17.9 19.3 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.5 2,-0.1 -4,-0.2 0.781 36.2 106.7 -86.2 -26.2 -11.2 20.7 18.9 18 18 A D T 3 S- 0 0 67 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.358 105.7 -9.2 -57.4 118.1 -13.2 23.1 16.8 19 19 A N T > S+ 0 0 94 4,-1.5 3,-2.2 1,-0.2 -1,-0.3 0.579 88.1 163.1 65.9 16.1 -14.0 25.9 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 -0.478 80.0 -3.8 -66.5 125.2 -12.7 24.1 22.2 21 21 A R T 3 S- 0 0 156 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.801 135.7 -58.5 59.1 29.6 -12.2 26.8 24.8 22 22 A G T < S+ 0 0 60 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.461 103.8 130.0 83.3 2.4 -13.2 29.4 22.2 23 23 A Y B < -B 20 0B 49 -3,-1.8 -4,-1.5 -6,-0.1 -3,-0.6 -0.798 52.1-136.5 -99.2 112.6 -10.5 28.6 19.7 24 24 A S >> - 0 0 37 -2,-0.7 3,-1.4 -5,-0.2 4,-0.9 -0.133 27.0-103.3 -59.5 159.8 -11.8 28.1 16.2 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.839 117.8 63.3 -53.9 -42.8 -10.5 25.2 14.1 26 26 A G H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.819 97.9 58.7 -54.8 -32.6 -8.2 27.4 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.925 107.9 44.3 -62.6 -46.6 -6.2 28.2 15.1 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.4 -2,-0.2 0.880 114.9 48.2 -66.1 -40.1 -5.4 24.6 15.8 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 112.1 49.3 -69.6 -39.9 -4.5 23.9 12.2 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.930 111.3 50.2 -64.6 -44.9 -2.3 27.0 12.0 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.902 110.7 48.3 -59.6 -43.9 -0.5 26.0 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-1.5 0.862 108.7 56.1 -65.3 -38.3 0.2 22.4 13.9 33 33 A K H X5S+ 0 0 58 -4,-2.1 4,-1.6 4,-0.2 -2,-0.2 0.967 116.7 33.3 -56.9 -54.3 1.5 23.9 10.7 34 34 A F H <5S+ 0 0 58 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.704 119.1 51.4 -80.4 -19.4 4.1 26.0 12.4 35 35 A E H <5S- 0 0 30 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.920 138.4 -7.3 -81.7 -41.1 4.8 23.7 15.3 36 36 A S H ><5S- 0 0 11 -4,-2.2 3,-1.0 19,-0.4 -3,-0.2 0.383 85.6-113.4-135.6 -3.5 5.5 20.5 13.2 37 37 A N T 3< - 0 0 54 4,-3.2 3,-2.0 -2,-0.3 -1,-0.0 -0.624 25.1-109.6-103.8 161.1 15.5 22.4 24.0 47 47 A T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.843 116.8 60.5 -55.8 -37.2 18.5 24.0 25.7 48 48 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.398 121.6-106.3 -74.0 4.7 17.2 23.0 29.1 49 49 A G S < S+ 0 0 25 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.225 83.2 120.9 92.3 -17.5 17.3 19.3 28.0 50 50 A S - 0 0 0 -5,-0.1 -4,-3.2 19,-0.1 2,-0.3 -0.279 52.1-141.4 -73.3 169.7 13.6 18.8 27.6 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.980 2.9-136.0-137.8 143.4 12.2 17.7 24.2 52 52 A D E -CD 44 59C 29 -8,-3.2 -8,-1.8 -2,-0.3 2,-0.4 -0.854 26.8-158.0 -99.9 138.6 9.0 18.7 22.3 53 53 A Y E > -CD 43 58C 24 5,-2.1 5,-2.1 -2,-0.4 3,-0.3 -0.937 31.0 -14.1-127.9 140.0 7.0 16.0 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.4 3,-1.6 -2,-0.4 30,-0.2 -0.078 96.2 -32.3 83.3-173.7 4.5 15.6 17.9 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.762 141.0 34.0 -59.4 -31.6 2.2 17.6 15.8 56 56 A L T 3 5S- 0 0 2 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.175 106.6-125.5-110.9 13.1 1.6 20.1 18.5 57 57 A Q T < 5 - 0 0 12 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.860 32.2-166.8 45.1 63.4 5.1 19.9 20.0 58 58 A M E < -D 53 0C 3 -5,-2.1 -5,-2.1 22,-0.1 2,-0.3 -0.606 19.9-116.0 -85.2 134.0 4.3 19.2 23.7 59 59 A N E >>> -D 52 0C 26 -2,-0.3 4,-2.2 -7,-0.2 3,-1.0 -0.497 5.2-145.1 -75.0 134.1 7.1 19.5 26.2 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.3 -2,-0.3 6,-0.2 0.603 94.4 71.5 -71.0 -15.0 8.5 16.6 28.2 61 61 A R T 345S+ 0 0 60 11,-0.2 12,-2.0 -10,-0.2 -1,-0.2 0.846 122.0 3.5 -71.3 -27.7 9.1 18.8 31.2 62 62 A W T <45S+ 0 0 123 -3,-1.0 13,-3.4 10,-0.2 -2,-0.2 0.759 130.4 40.8-122.3 -43.7 5.4 19.1 31.9 63 63 A W T <5S+ 0 0 30 -4,-2.2 13,-1.9 11,-0.3 15,-0.4 0.779 109.1 13.9 -89.8 -32.5 3.2 17.1 29.6 64 64 A c < - 0 0 0 -5,-0.7 2,-0.5 11,-0.1 10,-0.4 -0.920 67.2-112.8-142.8 166.5 4.6 13.6 28.9 65 65 A N B +e 79 0D 74 13,-2.5 15,-2.4 -2,-0.3 16,-0.4 -0.907 30.2 165.2-105.3 124.0 7.3 11.2 30.1 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 -6,-0.2 -6,-0.0 0.291 52.4-118.6-114.9 6.1 10.3 10.5 27.9 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.576 100.2 71.3 70.6 9.9 12.4 8.9 30.6 68 68 A R + 0 0 121 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.128 68.0 88.8-143.4 24.8 15.2 11.5 30.2 69 69 A T > - 0 0 10 -9,-0.1 3,-2.0 -19,-0.0 -2,-0.1 -0.851 69.1-143.4-126.9 90.5 13.8 14.8 31.6 70 70 A P T 3 S+ 0 0 115 0, 0.0 -20,-0.0 0, 0.0 -2,-0.0 -0.348 87.3 18.6 -55.3 127.2 14.6 14.9 35.4 71 71 A G T 3 S+ 0 0 70 1,-0.2 -10,-0.0 -2,-0.1 0, 0.0 0.564 85.1 162.3 87.2 7.4 11.7 16.6 37.2 72 72 A S < - 0 0 31 -3,-2.0 -1,-0.2 1,-0.1 -10,-0.2 -0.331 30.2-153.7 -58.2 142.6 9.2 16.0 34.4 73 73 A R - 0 0 154 -12,-2.0 -11,-0.2 -9,-0.1 -1,-0.1 0.708 9.7-154.0 -93.3 -21.8 5.6 16.4 35.6 74 74 A N > + 0 0 49 -10,-0.4 3,-1.8 -14,-0.3 -11,-0.3 0.853 23.2 170.9 46.4 50.8 3.8 14.1 33.1 75 75 A L T 3 S+ 0 0 58 -13,-3.4 -12,-0.2 1,-0.3 -11,-0.1 0.671 74.8 50.3 -63.0 -21.8 0.5 15.9 33.3 76 76 A d T 3 S- 0 0 5 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.440 104.8-132.4 -96.2 2.3 -1.1 14.1 30.4 77 77 A N < + 0 0 122 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.887 64.3 112.8 47.3 56.3 0.0 10.7 31.9 78 78 A I S S- 0 0 29 -15,-0.4 -13,-2.5 12,-0.0 2,-0.2 -0.985 73.4-105.4-150.2 150.8 1.5 9.3 28.7 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.599 38.3-119.3 -74.9 145.3 4.9 8.4 27.4 80 80 A c G > S+ 0 0 2 -15,-2.4 3,-1.5 1,-0.3 4,-0.3 0.799 109.3 70.0 -56.2 -27.7 6.1 11.1 24.9 81 81 A S G > S+ 0 0 85 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.796 86.3 67.8 -60.8 -27.9 6.3 8.4 22.1 82 82 A A G X S+ 0 0 32 -3,-1.7 3,-1.1 1,-0.3 -1,-0.3 0.811 92.1 60.9 -60.8 -31.0 2.5 8.2 22.2 83 83 A L G < S+ 0 0 2 -3,-1.5 -28,-0.6 -4,-0.4 -1,-0.3 0.548 96.3 60.9 -73.9 -8.4 2.4 11.8 20.8 84 84 A L G < S+ 0 0 43 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.436 79.8 118.0 -98.6 -2.3 4.3 10.7 17.6 85 85 A S S < S- 0 0 52 -3,-1.1 6,-0.1 -4,-0.2 -3,-0.0 -0.191 74.1-124.2 -63.5 156.6 1.6 8.2 16.5 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.7 1,-0.0 -1,-0.1 0.736 100.4 78.8 -71.6 -22.9 -0.3 8.5 13.3 87 87 A D S > S- 0 0 89 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.810 71.7-160.8 -86.8 115.4 -3.5 8.5 15.4 88 88 A I T 3> + 0 0 7 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.480 61.5 104.9 -79.8 -1.3 -3.8 12.0 16.9 89 89 A T H 3> S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 81.5 45.1 -46.2 -51.7 -6.1 11.1 19.7 90 90 A A H <> S+ 0 0 29 -3,-0.5 4,-2.3 -8,-0.2 -1,-0.2 0.927 114.3 50.1 -61.4 -43.6 -3.4 11.3 22.5 91 91 A S H > S+ 0 0 5 -4,-0.3 4,-2.6 -9,-0.3 -2,-0.2 0.917 111.8 48.7 -61.2 -42.9 -2.1 14.6 21.1 92 92 A V H X S+ 0 0 3 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.939 110.9 48.7 -63.7 -46.5 -5.7 16.0 21.0 93 93 A N H X S+ 0 0 75 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.898 114.4 46.2 -61.1 -41.5 -6.5 14.9 24.6 94 94 A d H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 3,-0.3 0.919 108.8 55.1 -67.0 -42.8 -3.3 16.4 25.9 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.892 104.2 55.6 -57.7 -39.8 -3.8 19.6 23.9 96 96 A K H X S+ 0 0 45 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.895 108.3 47.6 -61.6 -39.0 -7.2 20.0 25.6 97 97 A K H < S+ 0 0 93 -4,-1.3 4,-0.4 -3,-0.3 3,-0.4 0.944 113.3 48.5 -66.2 -45.3 -5.5 19.8 29.0 98 98 A I H >< S+ 0 0 6 -4,-2.4 3,-1.8 1,-0.2 5,-0.4 0.937 109.3 50.1 -59.7 -50.6 -2.8 22.4 28.0 99 99 A V H 3< S+ 0 0 6 -4,-2.9 3,-0.5 1,-0.3 5,-0.4 0.731 109.2 53.4 -64.9 -21.5 -5.2 25.0 26.5 100 100 A S T 3< S+ 0 0 32 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.543 82.8 96.4 -88.5 -5.4 -7.3 24.8 29.7 101 101 A D S < S- 0 0 113 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 0.434 106.4 -96.5 -65.7 -4.4 -4.2 25.5 31.7 102 102 A G S S+ 0 0 68 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 0.026 113.7 71.1 115.6 -32.7 -4.9 29.2 32.0 103 103 A N S > S- 0 0 115 -5,-0.4 3,-1.7 1,-0.3 4,-0.1 0.346 82.3-153.4 -99.0 6.5 -2.8 30.7 29.2 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.3 1,-0.2 -1,-0.3 -0.222 65.7 -19.0 57.2-144.9 -5.0 29.4 26.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.512 116.4 90.3 -74.2 -2.7 -3.2 28.9 23.1 106 106 A N G < + 0 0 36 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.661 68.7 81.4 -65.6 -15.3 -0.3 31.2 24.1 107 107 A A G < S+ 0 0 57 -3,-1.3 2,-0.8 1,-0.1 -1,-0.3 0.722 82.9 67.5 -59.6 -26.2 1.2 28.0 25.5 108 108 A W S X> S- 0 0 9 -3,-2.0 4,-2.3 1,-0.2 3,-0.7 -0.884 73.7-160.6-101.5 106.9 2.3 27.3 21.9 109 109 A V H 3> S+ 0 0 75 -2,-0.8 4,-2.7 1,-0.3 5,-0.2 0.842 90.6 54.2 -56.0 -36.6 5.0 29.9 21.0 110 110 A A H 3> S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.850 108.5 50.1 -68.4 -32.8 4.4 29.4 17.2 111 111 A W H <>>S+ 0 0 11 -3,-0.7 5,-3.0 -6,-0.2 4,-2.3 0.954 112.4 46.7 -66.9 -50.0 0.7 30.0 17.6 112 112 A R H <5S+ 0 0 102 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.918 120.8 38.4 -58.0 -42.1 1.4 33.2 19.6 113 113 A N H <5S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.699 132.6 17.3 -86.2 -20.0 4.0 34.4 17.1 114 114 A R H <5S+ 0 0 146 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.485 130.2 32.1-133.1 -6.0 2.5 33.4 13.7 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.1 -5,-0.3 5,-0.2 0.692 84.7 100.0-118.1 -46.4 -1.2 32.6 14.1 116 116 A K T 3 + 0 0 73 -2,-0.2 3,-2.3 1,-0.2 4,-0.3 -0.442 54.0 169.9 -78.7 72.9 -6.9 35.3 9.4 120 120 A V G > + 0 0 9 -2,-2.4 3,-1.5 1,-0.3 4,-0.3 0.702 65.5 76.6 -59.3 -18.9 -6.8 31.8 10.8 121 121 A Q G >> S+ 0 0 110 1,-0.3 3,-1.7 -3,-0.2 4,-0.6 0.811 80.0 71.7 -62.6 -27.3 -9.9 31.0 8.8 122 122 A A G X4 S+ 0 0 36 -3,-2.3 3,-0.8 1,-0.3 -1,-0.3 0.811 85.4 67.8 -58.3 -29.2 -7.7 30.8 5.8 123 123 A W G <4 S+ 0 0 57 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.655 108.0 34.5 -66.4 -20.3 -6.3 27.5 7.2 124 124 A I G X4 S+ 0 0 49 -3,-1.7 3,-1.9 -4,-0.3 -1,-0.2 0.363 86.5 130.7-115.6 5.2 -9.5 25.6 6.7 125 125 A R T << S+ 0 0 142 -3,-0.8 3,-0.1 -4,-0.6 -119,-0.1 -0.309 75.0 15.7 -61.0 135.8 -10.7 27.3 3.6 126 126 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -120,-0.0 -1,-0.3 0.335 94.3 128.9 85.2 -6.9 -11.7 24.9 0.9 127 127 A a < - 0 0 21 -3,-1.9 2,-1.0 1,-0.0 -1,-0.3 -0.605 60.6-130.3 -87.1 142.5 -12.1 21.9 3.2 128 128 A R 0 0 239 -2,-0.3 -118,-0.1 1,-0.2 -1,-0.0 -0.808 360.0 360.0 -89.2 105.0 -15.2 19.8 3.3 129 129 A L 0 0 96 -2,-1.0 -1,-0.2 -5,-0.0 -2,-0.0 0.731 360.0 360.0-115.6 360.0 -15.8 19.7 7.0