==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAR-11 3AW6 . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Y.TAKAYAMA,M.NAKASAKO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6705.0 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 . 27 20.9 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 90 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 134.4 2.5 10.5 9.1 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.916 360.0-145.7-100.3 113.5 2.5 13.9 7.3 3 3 A F - 0 0 14 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.461 8.9-122.5 -74.9 149.7 -1.1 15.2 7.2 4 4 A G > - 0 0 36 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.550 33.6-110.7 -74.5 158.4 -2.7 17.2 4.4 5 5 A R H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.939 117.6 38.0 -59.5 -49.8 -4.1 20.5 5.6 6 6 A a H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.847 112.8 57.7 -74.4 -33.3 -7.8 19.5 5.1 7 7 A E H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 110.3 44.0 -59.0 -44.2 -7.2 16.0 6.3 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.917 109.7 55.2 -68.9 -46.0 -5.9 17.3 9.6 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.6 46.5 -50.3 -47.2 -8.7 19.9 9.9 10 10 A A H X S+ 0 0 46 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.906 112.5 49.0 -64.0 -44.7 -11.3 17.1 9.6 11 11 A A H X S+ 0 0 21 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.912 113.2 48.2 -62.4 -40.7 -9.4 14.8 12.1 12 12 A M H <>S+ 0 0 1 -4,-3.0 5,-2.3 2,-0.2 6,-0.2 0.906 110.6 50.1 -65.1 -45.0 -9.2 17.7 14.5 13 13 A K H ><5S+ 0 0 90 -4,-2.4 3,-1.8 1,-0.2 5,-0.2 0.926 108.9 53.1 -55.8 -46.8 -12.9 18.6 14.1 14 14 A R H 3<5S+ 0 0 202 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 106.7 53.1 -61.1 -33.6 -13.9 14.9 14.8 15 15 A H T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.306 124.0-102.9 -88.1 8.7 -11.8 14.9 18.0 16 16 A G T < 5S+ 0 0 37 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.643 82.2 126.0 88.3 19.0 -13.7 18.0 19.3 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.0 2,-0.1 2,-0.3 0.686 35.8 105.9 -81.3 -23.2 -11.2 20.9 18.7 18 18 A D T 3 S- 0 0 65 1,-0.3 6,-0.2 -6,-0.2 3,-0.1 -0.504 107.4 -8.3 -63.7 117.7 -13.4 23.3 16.6 19 19 A N T > S+ 0 0 100 4,-1.3 3,-2.4 -2,-0.3 2,-0.3 0.580 87.9 166.3 63.5 15.1 -14.1 26.0 19.1 20 20 A Y B X S-B 23 0B 73 -3,-2.0 3,-1.7 3,-0.6 -1,-0.2 -0.492 81.9 -7.4 -58.6 122.4 -12.6 24.1 22.1 21 21 A R T 3 S- 0 0 150 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.791 135.1 -58.0 52.7 31.4 -12.2 26.8 24.8 22 22 A G T < S+ 0 0 59 -3,-2.4 2,-0.7 1,-0.2 -1,-0.3 0.553 104.2 130.2 84.1 6.2 -13.3 29.3 22.1 23 23 A Y B < -B 20 0B 47 -3,-1.7 -4,-1.3 -6,-0.1 -3,-0.6 -0.860 52.6-138.1 -97.8 112.7 -10.4 28.6 19.6 24 24 A S >> - 0 0 43 -2,-0.7 3,-1.6 -5,-0.2 4,-0.8 -0.218 28.1-100.1 -67.4 159.0 -11.9 28.0 16.1 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.811 117.4 66.3 -49.0 -42.8 -10.5 25.2 14.0 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.823 96.6 57.2 -50.3 -36.5 -8.3 27.4 11.9 27 27 A N H <> S+ 0 0 19 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.901 107.5 46.0 -63.1 -43.3 -6.1 28.3 15.0 28 28 A W H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.2 0.855 113.9 48.3 -68.6 -37.7 -5.3 24.6 15.7 29 29 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 112.4 49.0 -69.5 -46.1 -4.4 23.9 12.1 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.915 111.3 49.8 -55.1 -47.6 -2.2 27.0 11.9 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.923 111.4 48.7 -60.4 -43.4 -0.4 26.0 15.1 32 32 A A H X>S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 6,-1.5 0.869 108.4 55.7 -65.4 -36.9 0.2 22.5 13.8 33 33 A K H X5S+ 0 0 64 -4,-2.2 4,-1.4 4,-0.2 -1,-0.2 0.954 116.4 34.4 -59.0 -50.7 1.5 23.9 10.5 34 34 A F H <5S+ 0 0 61 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.754 118.9 50.9 -83.3 -22.7 4.1 26.0 12.2 35 35 A E H <5S- 0 0 38 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.909 137.4 -6.2 -75.9 -42.5 4.9 23.6 15.1 36 36 A S H ><5S- 0 0 11 -4,-2.1 3,-1.1 19,-0.4 -3,-0.2 0.384 86.3-113.5-136.9 -2.9 5.5 20.4 13.1 37 37 A N T 3< - 0 0 51 4,-3.1 3,-2.1 -2,-0.3 -1,-0.0 -0.584 24.7-110.7 -96.6 161.1 15.2 22.3 24.0 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.877 117.0 58.9 -58.1 -38.5 18.1 24.1 25.7 48 48 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.437 122.4-104.7 -70.3 1.6 16.8 22.9 29.1 49 49 A G S < S+ 0 0 21 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.352 83.4 124.7 88.5 -7.6 17.1 19.3 28.0 50 50 A S - 0 0 2 19,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.329 50.8-140.3 -74.3 166.0 13.3 18.8 27.6 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.6 -3,-0.1 2,-0.4 -0.985 1.6-139.0-131.6 143.1 11.9 17.6 24.2 52 52 A D E -CD 44 59C 27 -8,-2.8 -8,-1.7 -2,-0.3 2,-0.4 -0.854 26.2-158.3 -98.7 140.8 8.9 18.6 22.2 53 53 A Y E > -CD 43 58C 23 5,-2.2 5,-1.9 -2,-0.4 3,-0.4 -0.956 30.6 -20.5-131.3 131.1 6.9 15.8 20.5 54 54 A G T > 5S- 0 0 0 -12,-3.1 3,-1.6 -2,-0.4 30,-0.2 -0.192 97.9 -26.8 89.1-168.7 4.5 15.4 17.7 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.756 140.4 33.9 -64.3 -31.1 2.2 17.4 15.6 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.226 106.1-124.3-109.3 16.6 1.6 20.1 18.4 57 57 A Q T < 5 - 0 0 12 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.887 34.6-165.9 47.3 54.5 5.1 19.8 19.8 58 58 A I E < -D 53 0C 2 -5,-1.9 -5,-2.2 -6,-0.1 2,-0.3 -0.503 17.4-120.3 -78.7 138.3 4.0 19.0 23.3 59 59 A N E >>> -D 52 0C 28 -7,-0.2 4,-2.1 -2,-0.2 3,-0.9 -0.613 6.3-145.7 -94.5 135.8 6.9 19.4 25.8 60 60 A S T 345S+ 0 0 0 -9,-2.6 6,-0.2 -2,-0.3 -1,-0.1 0.602 90.4 78.7 -69.9 -12.8 8.3 16.7 28.1 61 61 A R T 345S- 0 0 57 -10,-0.2 12,-2.4 11,-0.1 -1,-0.2 0.887 120.6 -2.4 -63.5 -34.2 9.0 19.2 31.0 62 62 A W T <45S+ 0 0 133 -3,-0.9 13,-3.2 10,-0.2 -2,-0.2 0.707 131.5 44.7-121.6 -34.0 5.3 19.2 32.0 63 63 A W T <5S+ 0 0 26 -4,-2.1 13,-1.8 11,-0.3 15,-0.4 0.697 104.9 18.5-107.0 -24.7 3.1 17.0 29.8 64 64 A c < - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 -1,-0.1 -0.968 66.9-111.8-146.9 161.1 4.5 13.6 29.0 65 65 A N B +e 79 0D 81 13,-2.6 15,-2.3 -2,-0.3 16,-0.4 -0.867 33.1 160.1 -99.7 124.0 7.2 11.2 30.2 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.303 53.4-119.7-119.8 4.3 10.2 10.4 28.0 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.473 98.8 71.4 78.6 0.8 12.5 9.0 30.7 68 68 A R + 0 0 118 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.069 64.2 89.8-137.3 31.3 15.1 11.7 30.2 69 69 A T S > S- 0 0 7 -9,-0.1 3,-1.2 3,-0.0 -2,-0.1 -0.777 72.1-142.1-126.6 83.3 13.8 15.0 31.6 70 70 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.189 79.4 8.3 -52.3 131.5 14.9 15.0 35.2 71 71 A G T 3 S+ 0 0 83 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.795 96.8 138.4 71.8 30.7 12.4 16.5 37.6 72 72 A S < - 0 0 31 -3,-1.2 2,-0.2 1,-0.0 -10,-0.2 -0.546 47.3-122.9-101.7 170.4 9.6 16.9 35.1 73 73 A R - 0 0 146 -12,-2.4 -9,-0.4 -2,-0.2 2,-0.1 -0.638 0.6-148.8-106.8 167.4 5.9 16.2 35.3 74 74 A N > + 0 0 49 -2,-0.2 3,-1.4 -11,-0.2 -11,-0.3 -0.625 30.2 162.7-129.8 66.5 3.7 13.9 33.2 75 75 A L T 3 S+ 0 0 62 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.1 0.773 74.6 48.7 -68.0 -24.2 0.5 15.9 33.4 76 76 A d T 3 S- 0 0 17 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.470 105.2-129.5 -89.3 -3.0 -1.2 14.2 30.4 77 77 A N < + 0 0 132 -3,-1.4 -13,-0.1 1,-0.2 -2,-0.1 0.908 66.1 112.4 58.3 48.5 -0.2 10.8 31.9 78 78 A I S S- 0 0 31 -15,-0.4 -13,-2.6 16,-0.0 2,-0.2 -0.993 74.1-104.3-145.3 152.8 1.3 9.4 28.7 79 79 A P B > -e 65 0D 72 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.572 37.2-124.7 -70.2 140.4 4.7 8.3 27.3 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-2.0 1,-0.3 4,-0.2 0.831 108.4 68.5 -58.1 -32.3 5.9 11.1 25.0 81 81 A S G > S+ 0 0 84 -16,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.789 85.8 68.1 -61.0 -28.2 6.2 8.5 22.2 82 82 A A G X S+ 0 0 32 -3,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.718 91.0 64.8 -57.8 -21.3 2.4 8.2 22.1 83 83 A L G < S+ 0 0 1 -3,-2.0 -28,-0.6 -4,-0.4 -1,-0.3 0.540 93.5 59.8 -79.3 -4.5 2.4 11.8 20.8 84 84 A L G < S+ 0 0 45 -3,-1.8 -1,-0.2 -30,-0.2 -2,-0.2 0.391 79.0 120.3-103.9 -2.8 4.2 10.6 17.6 85 85 A S S < S- 0 0 53 -3,-0.7 6,-0.1 -4,-0.2 -3,-0.0 -0.216 72.5-125.3 -62.0 153.8 1.5 8.2 16.5 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.721 100.7 77.9 -75.0 -17.8 -0.3 8.6 13.2 87 87 A D S > S- 0 0 91 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.834 74.6-157.7 -86.3 116.2 -3.6 8.6 15.3 88 88 A I T 3> + 0 0 6 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.424 62.3 107.5 -82.0 2.8 -3.7 12.1 16.7 89 89 A T H 3> S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 79.8 43.6 -47.4 -52.4 -6.0 11.1 19.6 90 90 A A H <> S+ 0 0 27 -3,-0.5 4,-1.9 -8,-0.3 -1,-0.2 0.877 114.8 50.1 -65.3 -37.8 -3.3 11.4 22.4 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.921 113.3 46.4 -63.9 -43.5 -2.0 14.6 21.1 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.910 111.5 49.6 -66.9 -46.9 -5.5 16.1 20.9 93 93 A N H X S+ 0 0 90 -4,-2.8 4,-1.0 -5,-0.3 -1,-0.2 0.891 114.0 46.7 -61.6 -37.0 -6.5 15.0 24.3 94 94 A d H X S+ 0 0 4 -4,-1.9 4,-2.1 -5,-0.2 3,-0.3 0.893 107.7 55.4 -72.5 -40.1 -3.3 16.4 25.8 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.855 103.1 57.3 -56.5 -39.0 -3.7 19.7 23.9 96 96 A K H X S+ 0 0 45 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.890 107.9 47.1 -61.0 -37.0 -7.1 20.2 25.5 97 97 A K H < S+ 0 0 110 -4,-1.0 4,-0.4 -3,-0.3 -2,-0.2 0.906 113.2 49.2 -69.8 -43.0 -5.5 19.9 28.9 98 98 A I H >< S+ 0 0 8 -4,-2.1 3,-1.5 1,-0.2 5,-0.3 0.930 109.5 49.6 -61.6 -47.9 -2.8 22.4 28.0 99 99 A V H 3< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.3 5,-0.4 0.723 107.8 54.4 -71.6 -21.0 -5.2 25.0 26.5 100 100 A S T 3< S+ 0 0 43 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.590 84.9 94.3 -77.4 -11.5 -7.4 24.9 29.6 101 101 A D S < S- 0 0 112 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.472 107.8 -90.0 -70.4 -7.1 -4.3 25.6 31.8 102 102 A G S S+ 0 0 58 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 -0.167 116.2 64.6 126.6 -43.6 -4.6 29.4 32.1 103 103 A N S > S- 0 0 116 -5,-0.3 3,-1.5 1,-0.3 -4,-0.1 0.461 81.5-155.0 -90.8 -1.5 -2.6 30.8 29.1 104 104 A G G > - 0 0 9 -5,-0.4 3,-1.3 -6,-0.3 -1,-0.3 -0.318 67.4 -18.5 62.8-140.8 -4.8 29.4 26.3 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.3 0.571 117.2 89.4 -79.8 -7.9 -3.0 28.9 23.0 106 106 A N G < S+ 0 0 34 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.722 70.1 79.2 -57.5 -20.9 -0.2 31.3 24.0 107 107 A A G < S+ 0 0 55 -3,-1.3 2,-0.8 1,-0.1 -1,-0.3 0.765 83.2 71.1 -53.5 -27.6 1.4 28.1 25.4 108 108 A W S <> S- 0 0 10 -3,-2.2 4,-2.3 1,-0.2 3,-0.2 -0.860 73.4-161.4 -97.0 107.5 2.3 27.4 21.7 109 109 A V H > S+ 0 0 79 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.849 90.0 52.5 -58.9 -38.6 5.1 30.0 20.9 110 110 A A H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.5 0.871 108.6 50.5 -69.6 -37.3 4.5 29.5 17.1 111 111 A W H >>S+ 0 0 12 -6,-0.2 5,-3.1 3,-0.2 4,-1.9 0.943 112.2 47.5 -58.2 -49.5 0.7 30.2 17.5 112 112 A R H <5S+ 0 0 101 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.939 123.0 33.3 -59.1 -44.0 1.5 33.3 19.4 113 113 A N H <5S+ 0 0 116 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.719 133.5 23.5 -85.9 -21.5 4.1 34.6 16.9 114 114 A R H <5S+ 0 0 141 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.579 130.5 25.4-123.2 -20.0 2.6 33.2 13.6 115 115 A b T ><5S+ 0 0 0 -4,-1.9 3,-2.2 -5,-0.5 -3,-0.2 0.716 86.1 100.6-119.0 -44.9 -1.1 32.7 13.9 116 116 A K T 3 + 0 0 97 -2,-0.2 3,-1.2 1,-0.2 4,-0.2 -0.601 51.6 173.6 -82.5 87.4 -6.9 35.4 9.4 120 120 A V G > + 0 0 16 -2,-1.7 3,-1.5 1,-0.3 4,-0.3 0.680 65.5 75.9 -73.7 -16.7 -6.8 31.8 10.7 121 121 A Q G >> S+ 0 0 94 1,-0.3 3,-1.6 2,-0.2 4,-0.8 0.768 79.9 73.9 -65.0 -25.4 -9.9 30.8 8.8 122 122 A A G X4 S+ 0 0 38 -3,-1.2 3,-0.6 1,-0.3 -1,-0.3 0.823 85.7 65.5 -52.9 -32.7 -7.7 30.7 5.7 123 123 A W G <4 S+ 0 0 56 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.699 110.3 34.7 -66.7 -23.1 -6.2 27.4 7.1 124 124 A I G X4 S+ 0 0 33 -3,-1.6 3,-1.8 -4,-0.3 -1,-0.2 0.419 86.9 129.7-111.0 1.9 -9.5 25.7 6.7 125 125 A R T << S+ 0 0 119 -4,-0.8 3,-0.1 -3,-0.6 -3,-0.0 -0.300 76.8 13.4 -59.2 130.8 -10.7 27.4 3.5 126 126 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -120,-0.0 2,-0.2 0.302 93.7 132.0 87.5 -8.7 -11.8 25.0 0.8 127 127 A a < - 0 0 20 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 -0.541 62.2-125.0 -81.2 141.3 -12.0 21.9 3.1 128 128 A R 0 0 245 -2,-0.2 -1,-0.1 1,-0.2 -118,-0.0 -0.719 360.0 360.0 -81.6 100.4 -15.0 19.6 3.1 129 129 A L 0 0 99 -2,-1.1 -1,-0.2 -5,-0.1 -2,-0.0 0.623 360.0 360.0-121.9 360.0 -15.8 19.8 6.8