==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-12 4BAP . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR R.TALON,R.KAHN,A.GAUTIER,L.NAUTON,E.GIRARD . 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) . 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 . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 24.8 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 86 0, 0.0 39,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 133.1 9.7 -1.4 0.1 2 2 A V B -A 39 0A 96 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.926 360.0-149.4-101.3 110.8 13.0 -1.5 -1.8 3 3 A F - 0 0 16 35,-2.5 2,-0.2 -2,-0.7 3,-0.0 -0.467 10.2-121.8 -73.7 149.1 14.3 2.1 -1.8 4 4 A G > - 0 0 35 -2,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.544 33.9-106.6 -76.3 159.5 16.4 3.5 -4.6 5 5 A R H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.933 118.9 36.9 -55.2 -54.8 19.8 4.9 -3.5 6 6 A a H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.853 114.2 57.8 -71.3 -33.2 18.9 8.6 -3.8 7 7 A E H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 110.5 43.0 -57.8 -47.2 15.3 8.0 -2.6 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.917 111.3 54.8 -68.0 -41.5 16.7 6.5 0.6 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.926 109.9 47.6 -55.5 -45.0 19.3 9.3 0.9 10 10 A A H X S+ 0 0 44 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.894 112.6 48.1 -65.9 -41.7 16.5 11.9 0.7 11 11 A A H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.919 112.5 48.6 -64.5 -45.4 14.3 10.2 3.3 12 12 A M H <>S+ 0 0 2 -4,-2.9 5,-2.5 2,-0.2 6,-0.4 0.913 113.3 47.9 -59.9 -42.7 17.2 9.8 5.7 13 13 A K H ><5S+ 0 0 82 -4,-2.4 3,-2.1 -5,-0.2 -2,-0.2 0.934 109.1 52.3 -65.1 -46.6 18.1 13.5 5.3 14 14 A R H 3<5S+ 0 0 184 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 108.3 52.7 -57.9 -34.8 14.5 14.6 5.8 15 15 A H T 3<5S- 0 0 35 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.292 121.1-108.2 -86.7 9.3 14.4 12.6 9.0 16 16 A G T < 5S+ 0 0 31 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.660 82.1 124.9 81.4 17.4 17.6 14.3 10.3 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.1 -6,-0.2 2,-0.3 0.755 41.2 103.0 -82.2 -23.5 20.0 11.4 10.0 18 18 A D T 3 S- 0 0 41 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.434 102.9 -3.3 -64.4 121.8 22.5 13.3 7.8 19 19 A N T > S+ 0 0 104 4,-1.7 3,-2.3 -2,-0.3 -1,-0.3 0.562 91.4 160.8 72.5 8.1 25.4 14.3 10.1 20 20 A Y B X S-B 23 0B 71 -3,-2.1 3,-2.0 3,-0.6 -1,-0.2 -0.462 77.1 -4.6 -66.3 130.4 23.7 12.8 13.1 21 21 A R T 3 S- 0 0 156 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.772 135.3 -60.2 50.2 29.9 26.3 12.2 15.8 22 22 A G T < S+ 0 0 70 -3,-2.3 2,-0.8 1,-0.2 -1,-0.3 0.501 103.5 132.6 84.4 5.0 28.8 13.3 13.2 23 23 A Y B < -B 20 0B 47 -3,-2.0 -4,-1.7 -6,-0.2 -3,-0.6 -0.808 52.3-134.0 -96.2 111.3 28.0 10.6 10.6 24 24 A S >> - 0 0 42 -2,-0.8 3,-1.3 -5,-0.2 4,-1.0 -0.102 26.5-103.0 -60.1 157.7 27.5 12.0 7.1 25 25 A L H 3> S+ 0 0 12 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.841 118.6 61.3 -52.3 -41.5 24.6 10.9 5.0 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.829 98.2 58.5 -58.2 -34.3 26.8 8.6 2.9 27 27 A N H <> S+ 0 0 19 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.911 108.7 44.7 -57.9 -43.3 27.7 6.6 6.0 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.5 -2,-0.2 0.869 113.8 48.6 -70.9 -40.4 24.0 5.8 6.6 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 112.7 48.7 -65.1 -45.5 23.3 5.0 2.9 30 30 A b H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.938 111.5 50.2 -58.5 -45.7 26.3 2.7 2.8 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.934 110.8 48.7 -59.9 -46.8 25.3 1.0 6.0 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 6,-1.3 0.885 107.7 55.3 -62.7 -37.6 21.7 0.4 4.7 33 33 A K H X5S+ 0 0 71 -4,-2.4 4,-1.8 4,-0.2 -1,-0.2 0.956 116.3 35.7 -62.2 -45.9 23.0 -1.0 1.4 34 34 A F H <5S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 120.0 48.5 -82.4 -23.0 25.1 -3.7 3.1 35 35 A E H <5S- 0 0 26 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.899 138.7 -5.0 -76.8 -43.0 22.7 -4.3 6.0 36 36 A S H ><5S- 0 0 10 -4,-2.5 3,-1.4 19,-0.4 -3,-0.2 0.407 83.9-114.8-134.9 -3.9 19.5 -4.7 3.9 37 37 A N T 3< - 0 0 44 4,-3.2 3,-2.0 -2,-0.3 -1,-0.0 -0.601 26.4-107.3 -96.3 162.4 21.2 -14.1 14.8 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.790 117.4 57.2 -58.5 -32.2 23.0 -17.0 16.5 48 48 A D T 3 S- 0 0 97 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.436 123.1-101.0 -83.6 2.7 21.6 -16.1 19.9 49 49 A G S < S+ 0 0 20 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.327 86.0 121.1 94.2 -8.2 18.0 -16.3 18.7 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.318 52.6-139.0 -72.3 171.3 17.5 -12.6 18.3 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.8 -3,-0.1 2,-0.4 -0.980 2.5-135.1-136.2 145.4 16.6 -11.1 14.9 52 52 A D E -CD 44 59C 27 -8,-2.9 -8,-1.8 -2,-0.3 2,-0.4 -0.861 27.6-159.3-100.7 137.5 17.7 -8.0 12.9 53 53 A Y E > -CD 43 58C 21 5,-2.1 5,-2.3 -2,-0.4 3,-0.4 -0.954 31.5 -16.2-127.0 135.9 14.9 -6.0 11.3 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.7 -2,-0.4 30,-0.2 -0.165 99.1 -27.7 85.6-169.5 14.6 -3.5 8.5 55 55 A I T 3 5S+ 0 0 6 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.746 141.8 33.5 -59.6 -29.6 16.7 -1.2 6.4 56 56 A L T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.174 106.5-122.7-115.1 15.1 19.3 -0.9 9.2 57 57 A Q T < 5 - 0 0 11 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.894 34.0-162.4 50.6 54.5 18.9 -4.4 10.6 58 58 A I E < -D 53 0C 2 -5,-2.3 -5,-2.1 -6,-0.1 2,-0.4 -0.543 15.8-121.2 -77.0 132.5 18.0 -3.3 14.1 59 59 A N E >> -D 52 0C 39 -2,-0.3 4,-2.6 -7,-0.2 3,-1.2 -0.608 8.7-150.5 -88.0 128.8 18.5 -6.1 16.7 60 60 A S T 34 S+ 0 0 0 -9,-2.8 6,-0.2 -2,-0.4 13,-0.1 0.556 91.1 78.2 -68.3 -11.7 15.7 -7.5 18.9 61 61 A R T 34 S- 0 0 79 -10,-0.2 12,-2.3 11,-0.2 -1,-0.2 0.871 120.9 -1.4 -62.8 -35.1 18.3 -8.3 21.6 62 62 A W T <4 S+ 0 0 116 -3,-1.2 13,-2.8 10,-0.2 -2,-0.2 0.702 132.6 40.7-121.0 -37.8 18.4 -4.6 22.6 63 63 A W S < S+ 0 0 28 -4,-2.6 13,-2.0 11,-0.3 15,-0.4 0.696 104.4 21.0-109.4 -25.7 16.2 -2.3 20.6 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 11,-0.1 -0.952 67.7-111.4-145.1 160.8 12.7 -3.7 19.7 65 65 A N B +e 79 0D 82 13,-2.6 15,-2.6 -2,-0.3 16,-0.4 -0.869 34.1 159.8 -98.9 124.0 10.2 -6.3 20.9 66 66 A D - 0 0 34 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.352 51.7-122.5-116.7 2.6 9.5 -9.3 18.7 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.481 97.7 71.7 72.2 4.3 8.0 -11.6 21.4 68 68 A R + 0 0 121 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.118 67.7 86.1-141.1 28.8 10.6 -14.3 20.8 69 69 A T S > S- 0 0 13 -9,-0.1 3,-1.9 3,-0.0 -2,-0.1 -0.702 70.5-154.7-122.7 74.8 13.9 -13.0 22.1 70 70 A P T 3 S+ 0 0 127 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.243 75.6 17.5 -56.5 139.0 13.6 -14.1 25.8 71 71 A G T 3 S+ 0 0 74 1,-0.2 2,-0.1 0, 0.0 -10,-0.0 0.484 98.9 128.6 81.7 3.6 15.6 -12.0 28.2 72 72 A S < - 0 0 25 -3,-1.9 -1,-0.2 1,-0.1 2,-0.2 -0.271 52.4-123.6 -85.8 171.7 16.0 -9.1 25.6 73 73 A R - 0 0 119 -12,-2.3 -9,-0.4 -13,-0.1 2,-0.1 -0.683 2.0-149.5-106.1 173.2 15.4 -5.4 25.9 74 74 A N > + 0 0 54 -2,-0.2 3,-1.5 -11,-0.2 -11,-0.3 -0.609 28.7 162.6-138.0 66.3 13.2 -3.0 23.9 75 75 A L T 3 S+ 0 0 86 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.741 75.6 50.7 -70.5 -22.2 15.1 0.2 24.2 76 76 A d T 3 S- 0 0 13 -13,-2.0 -1,-0.3 2,-0.2 -12,-0.1 0.502 104.5-132.0 -88.1 -3.6 13.4 1.9 21.3 77 77 A N < + 0 0 137 -3,-1.5 -13,-0.1 1,-0.2 -2,-0.1 0.913 64.7 114.6 55.5 49.9 10.0 1.0 22.8 78 78 A I S S- 0 0 33 -15,-0.4 -13,-2.6 12,-0.0 2,-0.2 -0.989 73.2-103.2-143.1 152.7 8.6 -0.4 19.5 79 79 A P B > -e 65 0D 68 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.557 35.6-125.0 -69.4 140.5 7.5 -3.7 18.0 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-2.0 1,-0.3 -14,-0.1 0.847 108.5 68.4 -57.0 -32.2 10.2 -5.0 15.7 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-2.0 1,-0.3 4,-0.3 0.790 86.1 67.8 -58.4 -26.4 7.6 -5.1 12.9 82 82 A A G X S+ 0 0 31 -3,-1.7 3,-0.8 1,-0.3 9,-0.3 0.754 91.9 63.0 -63.0 -23.3 7.5 -1.3 12.9 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.419 96.1 58.4 -81.4 0.6 11.0 -1.5 11.6 84 84 A L G < S+ 0 0 43 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.440 79.7 119.8-105.8 -1.7 9.7 -3.2 8.4 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 -4,-0.3 -3,-0.0 -0.179 73.8-123.4 -65.6 152.7 7.4 -0.5 7.3 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.781 102.3 77.2 -63.8 -24.7 7.7 1.3 4.0 87 87 A D S > S- 0 0 94 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.793 73.5-158.9 -85.9 118.2 7.9 4.5 6.1 88 88 A I T 3> + 0 0 8 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.429 61.9 106.2 -83.9 5.9 11.4 4.6 7.6 89 89 A T H 3> S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 80.6 46.1 -53.3 -49.0 10.5 6.9 10.5 90 90 A A H <> S+ 0 0 26 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.911 113.7 48.8 -64.3 -43.1 10.7 4.2 13.2 91 91 A S H > S+ 0 0 8 -4,-0.3 4,-2.7 -9,-0.3 -1,-0.2 0.909 113.3 47.6 -62.0 -40.5 13.9 2.8 11.9 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.939 111.6 49.0 -65.9 -46.9 15.5 6.2 11.8 93 93 A N H X S+ 0 0 74 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.890 114.8 45.2 -62.5 -38.1 14.3 7.2 15.2 94 94 A d H X S+ 0 0 3 -4,-2.2 4,-2.4 -5,-0.2 3,-0.4 0.932 108.9 55.7 -70.6 -42.3 15.7 4.0 16.7 95 95 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.853 102.1 58.3 -56.9 -35.5 19.0 4.2 14.8 96 96 A K H X S+ 0 0 45 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.905 107.9 45.9 -61.9 -40.9 19.5 7.6 16.4 97 97 A K H >< S+ 0 0 110 -4,-1.2 3,-0.5 -3,-0.4 4,-0.3 0.926 112.9 50.7 -65.8 -43.6 19.3 6.0 19.8 98 98 A I H >< S+ 0 0 5 -4,-2.4 3,-1.8 1,-0.2 5,-0.4 0.947 110.2 46.9 -59.6 -50.7 21.6 3.2 18.7 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.4 1,-0.3 3,-0.4 0.654 110.6 56.0 -70.0 -13.4 24.3 5.4 17.3 100 100 A S T << S+ 0 0 28 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.394 81.1 89.7 -93.1 -1.8 24.1 7.6 20.5 101 101 A D S < S- 0 0 79 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.480 110.4 -87.7 -87.4 1.5 24.8 4.8 22.9 102 102 A G S S+ 0 0 67 -3,-0.4 -3,-0.1 -4,-0.1 -1,-0.1 -0.021 114.7 70.8 128.7 -29.6 28.6 5.1 23.0 103 103 A N S > S- 0 0 116 -5,-0.4 3,-1.6 1,-0.3 4,-0.2 0.344 78.7-155.1-105.0 6.2 29.9 3.0 20.1 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.195 64.8 -20.1 56.6-144.6 28.7 5.1 17.3 105 105 A M G > S+ 0 0 0 1,-0.2 3,-2.1 2,-0.1 7,-0.3 0.565 115.2 91.7 -78.3 -3.1 28.2 3.3 14.0 106 106 A N G < + 0 0 47 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.697 69.2 78.1 -61.1 -17.2 30.4 0.4 15.0 107 107 A A G < S+ 0 0 53 -3,-1.2 2,-0.9 -4,-0.2 -1,-0.3 0.795 82.5 72.0 -59.2 -29.0 27.2 -1.1 16.2 108 108 A W S <> S- 0 0 10 -3,-2.1 4,-2.4 1,-0.2 3,-0.3 -0.814 72.0-162.5 -92.7 107.1 26.5 -2.0 12.6 109 109 A V H > S+ 0 0 75 -2,-0.9 4,-2.4 1,-0.3 5,-0.2 0.880 89.3 51.8 -56.9 -45.2 28.9 -4.8 11.7 110 110 A A H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.846 108.9 52.3 -64.2 -35.2 28.5 -4.2 7.9 111 111 A W H >>S+ 0 0 10 -3,-0.3 5,-3.0 -6,-0.2 4,-2.4 0.963 110.6 47.0 -61.6 -50.5 29.3 -0.5 8.4 112 112 A R H <5S+ 0 0 106 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.921 121.4 36.8 -56.7 -44.7 32.5 -1.3 10.3 113 113 A N H <5S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.724 133.0 19.6 -83.3 -22.1 33.6 -3.8 7.8 114 114 A R H <5S+ 0 0 140 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.575 130.8 28.2-127.9 -15.0 32.5 -2.3 4.5 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.4 -3,-0.2 0.725 85.7 100.1-119.6 -41.7 31.8 1.4 4.9 116 116 A K T 3 + 0 0 108 1,-0.2 3,-1.8 -2,-0.2 4,-0.2 -0.517 53.6 171.9 -78.8 75.9 34.8 7.3 0.4 120 120 A V G > + 0 0 15 -2,-2.1 3,-1.8 1,-0.3 4,-0.3 0.716 63.5 74.9 -67.7 -19.7 31.2 7.2 1.6 121 121 A Q G > S+ 0 0 97 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.778 79.8 74.9 -63.5 -23.9 30.2 10.3 -0.2 122 122 A A G X S+ 0 0 30 -3,-1.8 3,-1.1 1,-0.3 -1,-0.3 0.820 83.2 68.3 -55.1 -30.0 30.2 8.2 -3.4 123 123 A W G < S+ 0 0 56 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.708 106.8 36.9 -66.2 -20.1 26.9 6.7 -2.1 124 124 A I G X S+ 0 0 34 -3,-1.9 3,-1.6 -4,-0.3 -1,-0.2 0.283 83.7 135.2-114.1 10.3 25.1 10.0 -2.6 125 125 A R T < S+ 0 0 149 -3,-1.1 3,-0.1 -4,-0.4 -119,-0.1 -0.310 75.5 13.0 -57.9 134.9 26.8 11.1 -5.8 126 126 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.2 -120,-0.0 2,-0.1 0.177 94.6 128.5 86.0 -19.4 24.3 12.5 -8.3 127 127 A a < - 0 0 23 -3,-1.6 2,-1.0 1,-0.1 -1,-0.3 -0.418 61.6-128.8 -71.0 145.9 21.4 12.7 -5.9 128 128 A R 0 0 242 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 -0.784 360.0 360.0 -91.8 95.9 19.5 16.0 -5.6 129 129 A L 0 0 79 -2,-1.0 -1,-0.2 -5,-0.1 -2,-0.0 0.768 360.0 360.0-112.9 360.0 19.5 16.6 -1.9