==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JAN-11 3QE8 . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR F.ZOBI,B.SPINGLER . 258 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 2 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 4 2 2 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 2 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 67 0, 0.0 39,-3.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 134.1 -14.0 21.4 -29.1 2 2 A V B -A 39 0A 99 37,-0.3 37,-0.2 38,-0.1 2,-0.2 -0.908 360.0-152.2-101.8 110.3 -16.0 21.5 -25.8 3 3 A F - 0 0 14 35,-2.4 2,-0.2 -2,-0.7 3,-0.0 -0.476 13.0-120.6 -75.3 149.8 -16.1 17.9 -24.5 4 4 A G > - 0 0 36 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.555 32.7-110.2 -79.0 155.9 -18.8 16.6 -22.3 5 5 A R H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.959 118.5 39.5 -52.0 -54.6 -17.5 15.3 -18.9 6 6 A a H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.929 113.5 54.9 -68.1 -36.5 -18.1 11.7 -19.7 7 7 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.951 110.6 46.7 -58.1 -45.1 -16.9 12.0 -23.3 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.936 108.9 54.5 -63.4 -44.8 -13.7 13.5 -22.0 9 9 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.959 110.6 46.8 -49.3 -49.4 -13.3 10.7 -19.4 10 10 A A H X S+ 0 0 31 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.938 113.7 46.7 -63.1 -45.8 -13.7 8.1 -22.2 11 11 A A H X S+ 0 0 20 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.926 111.5 52.0 -58.6 -45.5 -11.2 9.8 -24.5 12 12 A M H <>S+ 0 0 2 -4,-3.0 5,-2.5 -5,-0.2 6,-0.3 0.902 111.6 46.9 -61.0 -37.4 -8.7 10.3 -21.7 13 13 A K H ><5S+ 0 0 79 -4,-2.2 3,-2.5 -5,-0.3 5,-0.2 0.928 108.8 53.6 -68.4 -46.3 -9.0 6.6 -20.8 14 14 A R H 3<5S+ 0 0 216 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.6 52.2 -57.1 -30.3 -8.6 5.6 -24.4 15 15 A H T 3<5S- 0 0 47 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.320 122.5-110.4 -92.9 8.1 -5.4 7.7 -24.4 16 16 A G T < 5S+ 0 0 36 -3,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.756 79.2 126.9 76.7 33.3 -4.2 5.8 -21.3 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.3 2,-0.1 2,-0.4 0.645 35.2 111.1 -92.8 -15.7 -4.4 8.4 -18.6 18 18 A D T 3 S- 0 0 52 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.461 103.9 -9.5 -65.1 122.9 -6.5 6.4 -16.2 19 19 A N T > S+ 0 0 87 4,-1.6 3,-2.0 -2,-0.4 -1,-0.3 0.643 93.1 161.9 66.2 16.5 -4.2 5.7 -13.3 20 20 A Y B X S-B 23 0B 63 -3,-2.3 3,-2.3 3,-0.7 -1,-0.2 -0.470 77.8 -1.8 -67.0 133.0 -1.3 7.0 -15.3 21 21 A R T 3 S- 0 0 115 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.803 137.1 -60.1 53.6 27.3 1.5 7.8 -12.8 22 22 A G T < S+ 0 0 30 -3,-2.0 2,-0.8 1,-0.2 -1,-0.3 0.463 105.0 131.6 87.5 -3.2 -1.0 6.6 -10.1 23 23 A Y B < -B 20 0B 5 -3,-2.3 -4,-1.6 -6,-0.1 -3,-0.7 -0.796 51.6-137.2 -95.8 111.2 -3.6 9.3 -10.9 24 24 A S >> - 0 0 38 -2,-0.8 3,-1.8 -5,-0.2 4,-0.9 -0.158 29.0-100.9 -62.0 160.9 -7.1 7.9 -11.4 25 25 A L H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.815 118.3 62.6 -54.2 -36.0 -9.2 9.2 -14.2 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.830 97.7 57.5 -59.8 -31.8 -11.3 11.5 -11.9 27 27 A N H <> S+ 0 0 4 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.896 109.2 45.9 -64.5 -40.9 -8.1 13.5 -11.1 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.4 -2,-0.2 0.889 113.8 46.3 -70.9 -44.4 -7.6 14.1 -14.9 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.930 113.3 50.9 -63.3 -42.1 -11.2 15.1 -15.6 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.937 110.1 49.7 -61.3 -45.0 -11.2 17.3 -12.5 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.939 111.7 47.4 -59.0 -46.5 -8.1 19.0 -13.6 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 6,-1.3 0.888 107.3 58.5 -62.8 -34.1 -9.5 19.6 -17.1 33 33 A K H X5S+ 0 0 65 -4,-2.6 4,-1.7 4,-0.2 -1,-0.2 0.946 115.1 33.8 -59.5 -48.2 -12.7 20.9 -15.6 34 34 A F H <5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.709 119.9 49.9 -88.2 -18.9 -11.0 23.7 -13.7 35 35 A E H <5S- 0 0 34 -4,-2.5 -1,-0.2 20,-0.2 -2,-0.2 0.876 137.7 -6.6 -76.9 -40.9 -8.2 24.4 -16.2 36 36 A S H ><5S- 0 0 11 -4,-2.6 3,-1.5 19,-0.3 -3,-0.2 0.411 83.0-114.9-141.5 -3.1 -10.3 24.7 -19.3 37 37 A N T 3< - 0 0 44 4,-2.8 3,-1.8 -2,-0.4 -1,-0.0 -0.581 26.4-106.3 -92.5 165.0 0.3 34.2 -17.6 47 47 A T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.770 117.8 59.3 -63.7 -25.8 2.0 37.2 -15.9 48 48 A D T 3 S- 0 0 83 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.483 121.0-105.9 -83.3 1.7 5.5 36.1 -17.1 49 49 A G S < S+ 0 0 36 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.333 82.9 123.0 94.2 -9.9 4.3 36.4 -20.7 50 50 A S - 0 0 0 19,-0.1 -4,-2.8 -5,-0.1 -1,-0.4 -0.298 54.0-133.7 -71.1 170.3 4.1 32.6 -21.3 51 51 A T E -C 45 0C 4 -6,-0.2 9,-2.1 -3,-0.1 2,-0.4 -0.964 1.9-137.8-133.3 140.2 0.7 31.2 -22.4 52 52 A D E -CD 44 59C 26 -8,-2.8 -8,-1.6 -2,-0.3 2,-0.4 -0.860 26.2-163.4 -96.5 137.9 -1.4 28.2 -21.3 53 53 A Y E > -CD 43 58C 25 5,-2.0 5,-2.1 -2,-0.4 3,-0.4 -0.968 30.8 -12.4-132.9 135.2 -3.0 26.1 -23.9 54 54 A G T > 5S- 0 0 0 -12,-2.6 3,-1.8 -2,-0.4 30,-0.2 -0.160 98.8 -30.6 88.8-173.2 -5.7 23.5 -24.2 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.775 141.7 33.8 -60.2 -27.1 -7.8 21.3 -22.0 56 56 A L T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.208 106.3-123.6-114.3 17.7 -5.0 21.0 -19.4 57 57 A Q T < 5 - 0 0 11 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.843 34.7-165.9 47.4 56.1 -3.6 24.5 -19.9 58 58 A I E < -D 53 0C 3 -5,-2.1 -5,-2.0 -6,-0.1 2,-0.3 -0.529 16.3-122.4 -81.0 137.4 -0.0 23.5 -20.7 59 59 A N E >>> -D 52 0C 34 -2,-0.3 4,-2.0 -7,-0.2 3,-0.9 -0.568 8.5-146.5 -94.5 140.3 2.4 26.3 -20.5 60 60 A S T 345S+ 0 0 0 -9,-2.1 13,-0.2 -2,-0.3 6,-0.2 0.543 89.9 83.2 -75.7 -9.3 4.7 27.5 -23.2 61 61 A R T 345S- 0 0 51 11,-0.2 12,-1.2 -10,-0.2 -1,-0.2 0.837 120.1 -6.0 -64.2 -36.6 7.3 28.4 -20.6 62 62 A W T <45S+ 0 0 140 -3,-0.9 13,-3.1 10,-0.2 12,-1.5 0.583 132.8 44.5-125.7 -29.9 8.5 24.8 -20.6 63 63 A W T <5S+ 0 0 31 -4,-2.0 13,-1.8 11,-0.3 15,-0.3 0.766 103.3 23.1-108.7 -26.4 6.4 22.4 -22.8 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 11,-0.1 -1,-0.2 -0.981 67.7-115.0-140.5 161.5 5.4 23.8 -26.2 65 65 A N B +e 79 0D 81 13,-2.7 15,-2.3 -2,-0.3 16,-0.4 -0.829 35.0 157.1-100.4 125.0 6.6 26.3 -28.7 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.265 54.0-121.6-120.6 7.2 4.5 29.3 -29.6 67 67 A G S S+ 0 0 64 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.554 97.3 73.7 67.2 7.4 7.3 31.6 -30.8 68 68 A R + 0 0 146 1,-0.1 -1,-0.1 -8,-0.0 -8,-0.0 0.065 64.7 91.4-143.2 33.0 6.6 34.3 -28.3 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.6 -19,-0.0 -2,-0.1 -0.813 70.9-141.9-127.3 85.0 7.9 33.1 -25.0 70 70 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -20,-0.0 -0.210 80.3 8.4 -51.9 130.4 11.5 34.2 -24.6 71 71 A G T 3 S+ 0 0 83 1,-0.2 2,-0.1 2,-0.1 -10,-0.0 0.706 96.1 139.7 78.8 16.2 13.9 31.8 -23.0 72 72 A S < - 0 0 25 -3,-1.6 -1,-0.2 1,-0.1 -10,-0.2 -0.386 43.7-143.0 -90.8 176.6 11.3 29.1 -23.0 73 73 A R - 0 0 161 -12,-1.2 -10,-0.2 -13,-0.2 -11,-0.1 0.890 8.3-139.5-100.9 -84.6 12.1 25.4 -23.8 74 74 A N > + 0 0 34 -12,-1.5 3,-1.5 -10,-0.1 -11,-0.3 0.588 29.2 169.0 119.5 60.5 9.6 23.1 -25.8 75 75 A L T 3 S+ 0 0 82 -13,-3.1 -12,-0.2 1,-0.3 -11,-0.1 0.731 75.6 49.9 -67.2 -22.6 10.0 19.9 -23.9 76 76 A d T 3 S- 0 0 6 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.442 105.0-131.9 -94.8 2.4 7.0 18.1 -25.5 77 77 A N < + 0 0 134 -3,-1.5 -2,-0.1 1,-0.2 -13,-0.1 0.934 64.2 114.5 49.4 58.4 8.4 19.1 -28.9 78 78 A I S S- 0 0 27 -15,-0.3 -13,-2.7 16,-0.0 2,-0.3 -0.993 73.2-101.6-150.1 152.2 5.2 20.4 -30.3 79 79 A P B > -e 65 0D 68 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.617 35.7-123.9 -70.4 141.4 3.7 23.7 -31.4 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-2.0 1,-0.3 4,-0.2 0.827 109.5 69.1 -57.7 -30.1 1.4 25.1 -28.7 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.793 85.4 68.3 -61.5 -24.7 -1.4 25.2 -31.3 82 82 A A G X S+ 0 0 29 -3,-2.0 3,-0.8 1,-0.3 9,-0.3 0.734 90.5 63.5 -64.3 -23.4 -1.4 21.4 -31.3 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.432 95.9 59.4 -78.9 -0.1 -2.7 21.6 -27.7 84 84 A L G < S+ 0 0 42 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.511 79.8 119.2-105.6 -3.8 -5.9 23.2 -29.0 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.146 73.5-124.8 -59.4 152.0 -7.0 20.5 -31.4 86 86 A S S S+ 0 0 77 2,-0.0 2,-0.5 -45,-0.0 -1,-0.1 0.765 102.3 77.8 -65.9 -23.4 -10.2 18.6 -31.1 87 87 A D S S- 0 0 88 1,-0.1 3,-0.4 -5,-0.1 4,-0.3 -0.791 74.4-157.4 -85.4 122.9 -7.9 15.5 -31.0 88 88 A I > + 0 0 7 -2,-0.5 4,-3.2 1,-0.2 5,-0.3 0.349 62.1 106.1 -90.9 8.5 -6.4 15.3 -27.5 89 89 A T H > S+ 0 0 49 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.911 80.8 45.0 -51.5 -54.1 -3.4 13.3 -28.4 90 90 A A H > S+ 0 0 21 -3,-0.4 4,-2.3 -8,-0.3 5,-0.2 0.920 115.7 48.2 -61.6 -44.3 -0.8 16.1 -28.1 91 91 A S H > S+ 0 0 5 -9,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.908 115.4 44.4 -58.9 -49.1 -2.4 17.3 -24.8 92 92 A V H X S+ 0 0 2 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.956 113.8 48.1 -64.1 -45.8 -2.4 13.8 -23.4 93 93 A N H X S+ 0 0 72 -4,-3.3 4,-1.4 -5,-0.3 -2,-0.2 0.911 114.7 46.4 -64.8 -33.7 1.0 12.9 -24.5 94 94 A d H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.915 109.5 54.2 -71.6 -37.7 2.5 16.2 -23.1 95 95 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.892 103.1 56.5 -64.4 -38.4 0.6 15.8 -19.9 96 96 A K H X S+ 0 0 44 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.898 109.2 47.5 -57.9 -40.2 2.1 12.3 -19.4 97 97 A K H < S+ 0 0 81 -4,-1.4 3,-0.5 -5,-0.2 4,-0.2 0.936 114.0 47.1 -64.4 -45.4 5.6 14.0 -19.7 98 98 A I H >< S+ 0 0 7 -4,-2.6 3,-1.8 1,-0.2 5,-0.4 0.951 111.0 48.8 -60.6 -49.1 4.6 16.8 -17.2 99 99 A V H 3< S+ 0 0 2 -4,-3.2 5,-0.5 1,-0.3 3,-0.4 0.686 109.9 54.2 -69.1 -14.3 3.1 14.5 -14.6 100 100 A S T 3< S+ 0 0 42 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.404 83.8 92.8 -95.0 1.5 6.2 12.3 -14.8 101 101 A D S < S- 0 0 100 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 0.461 109.3 -83.3 -80.6 -5.1 8.5 15.3 -14.2 102 102 A G S S+ 0 0 29 -3,-0.4 -3,-0.1 -4,-0.1 -2,-0.1 0.007 116.8 61.9 133.6 -37.1 8.8 15.0 -10.4 103 103 A N S > S- 0 0 85 -5,-0.4 3,-1.7 1,-0.3 4,-0.1 0.318 82.1-148.6-114.6 13.8 5.8 16.7 -8.8 104 104 A G G > - 0 0 4 -5,-0.5 3,-1.3 1,-0.3 -1,-0.3 -0.238 68.8 -17.8 57.0-143.8 3.1 14.6 -10.2 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 7,-0.3 0.555 116.2 89.7 -76.5 -1.4 -0.2 16.5 -10.7 106 106 A N G < + 0 0 28 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.714 68.5 81.6 -65.1 -13.9 0.9 19.3 -8.4 107 107 A A G < S+ 0 0 54 -3,-1.3 2,-0.9 1,-0.1 -1,-0.3 0.825 84.1 65.4 -49.8 -37.1 2.3 20.7 -11.7 108 108 A W S X> S- 0 0 12 -3,-2.3 4,-2.3 1,-0.2 3,-0.6 -0.823 72.9-164.9 -92.4 104.9 -1.3 21.9 -12.3 109 109 A V H 3> S+ 0 0 77 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.883 89.6 57.3 -63.2 -34.4 -2.0 24.5 -9.6 110 110 A A H 3> S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.837 106.6 50.5 -61.4 -35.7 -5.7 24.2 -10.3 111 111 A W H <>>S+ 0 0 1 -3,-0.6 5,-3.1 -6,-0.2 4,-2.3 0.946 112.4 46.0 -64.6 -46.9 -5.5 20.5 -9.6 112 112 A R H <5S+ 0 0 108 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.916 119.6 40.1 -58.9 -42.5 -3.7 21.1 -6.3 113 113 A N H <5S+ 0 0 101 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.726 132.2 18.1 -83.9 -22.6 -6.1 23.8 -5.2 114 114 A R H <5S+ 0 0 138 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.552 132.1 27.5-127.6 -10.2 -9.4 22.3 -6.3 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 5,-0.2 0.690 84.7 103.5-119.9 -41.1 -9.1 18.6 -7.0 116 116 A K T 3 + 0 0 108 1,-0.2 3,-1.7 -2,-0.2 4,-0.3 -0.419 56.6 167.3 -77.6 76.7 -13.7 13.0 -4.0 120 120 A V G > + 0 0 15 -2,-2.5 3,-1.6 1,-0.3 4,-0.3 0.680 60.7 77.9 -71.3 -10.0 -12.5 13.1 -7.6 121 121 A Q G > S+ 0 0 109 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.835 79.1 74.2 -72.9 -17.7 -14.2 9.9 -8.5 122 122 A A G X S+ 0 0 47 -3,-1.7 3,-1.0 1,-0.3 -1,-0.3 0.782 84.3 67.4 -56.9 -28.5 -17.4 12.0 -8.6 123 123 A W G < S+ 0 0 56 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.720 108.3 34.8 -68.1 -17.9 -16.1 13.4 -11.9 124 124 A I G X S+ 0 0 34 -3,-1.9 3,-1.7 -4,-0.3 -1,-0.2 0.296 87.7 134.9-115.4 7.3 -16.5 10.0 -13.7 125 125 A R T < S+ 0 0 179 -3,-1.0 3,-0.1 -4,-0.3 -3,-0.1 -0.341 75.3 10.7 -58.1 127.2 -19.6 9.1 -11.8 126 126 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.299 94.9 135.7 93.4 -13.5 -22.2 7.7 -14.1 127 127 A a < - 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