==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-12 4AGA . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR A.MUKHOPADHYAY,A.L.CARVALHO,M.J.ROMAO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6633.0 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 . 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,-3.2 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 137.7 1.9 10.2 8.7 2 2 A V B -A 39 0A 97 37,-0.3 37,-0.2 38,-0.1 2,-0.2 -0.918 360.0-148.2-101.9 114.6 1.9 13.6 7.0 3 3 A F - 0 0 13 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.482 11.1-118.9 -76.0 149.2 -1.7 14.8 6.9 4 4 A G > - 0 0 35 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.509 32.8-108.3 -73.9 158.2 -3.1 16.9 4.2 5 5 A R H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.955 118.0 34.2 -48.0 -64.7 -4.4 20.2 5.3 6 6 A a H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.856 115.4 60.2 -69.5 -29.6 -8.2 19.5 5.0 7 7 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 108.2 43.4 -59.3 -47.6 -7.6 15.9 6.1 8 8 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.877 109.7 55.9 -65.3 -39.3 -6.2 17.1 9.4 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.960 109.3 49.0 -58.3 -43.4 -8.9 19.7 9.8 10 10 A A H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.894 111.6 47.4 -60.7 -46.4 -11.5 16.8 9.4 11 11 A A H X S+ 0 0 15 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.895 111.7 51.1 -62.4 -41.6 -9.7 14.6 12.0 12 12 A M H <>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 6,-0.3 0.915 111.9 47.3 -61.6 -40.2 -9.4 17.5 14.4 13 13 A K H ><5S+ 0 0 80 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.902 108.4 54.0 -68.9 -40.9 -13.1 18.2 14.1 14 14 A R H 3<5S+ 0 0 192 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.872 107.9 51.5 -63.9 -32.9 -14.1 14.6 14.5 15 15 A H T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.265 123.5-105.0 -90.3 13.1 -12.1 14.5 17.8 16 16 A G T < 5S+ 0 0 30 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.720 82.5 125.2 83.4 25.6 -13.9 17.6 19.1 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.2 -6,-0.1 2,-0.3 0.670 37.4 106.1 -83.4 -16.9 -11.2 20.3 18.7 18 18 A D T 3 S- 0 0 58 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.448 104.3 -6.1 -78.9 118.0 -13.3 22.7 16.6 19 19 A N T > S+ 0 0 102 4,-1.1 3,-2.3 -2,-0.3 -1,-0.3 0.597 90.3 161.6 67.6 17.7 -14.1 25.6 19.0 20 20 A Y B X S-B 23 0B 71 -3,-2.2 3,-1.9 3,-0.7 -1,-0.2 -0.487 78.4 -3.6 -69.0 134.2 -12.6 23.7 21.9 21 21 A R T 3 S- 0 0 159 1,-0.2 -1,-0.3 -2,-0.2 3,-0.1 0.754 135.4 -61.0 47.9 28.4 -12.0 26.4 24.7 22 22 A G T < S+ 0 0 56 -3,-2.3 2,-0.7 1,-0.2 -1,-0.2 0.498 103.8 131.6 85.0 2.9 -13.2 28.9 22.1 23 23 A Y B < -B 20 0B 48 -3,-1.9 -4,-1.1 -6,-0.1 -3,-0.7 -0.816 52.0-135.9 -96.7 114.1 -10.5 28.2 19.5 24 24 A S >> - 0 0 39 -2,-0.7 3,-1.5 -5,-0.2 4,-1.0 -0.132 27.9-100.9 -61.8 161.6 -11.9 27.7 16.0 25 25 A L H 3> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.811 118.7 62.1 -54.4 -39.0 -10.6 24.9 13.9 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.814 98.7 58.8 -57.2 -34.4 -8.3 27.1 11.8 27 27 A N H <> S+ 0 0 19 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.929 108.6 43.7 -59.5 -44.9 -6.4 28.0 15.0 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 -2,-0.2 0.879 115.0 48.6 -67.8 -42.0 -5.5 24.3 15.5 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 112.4 48.3 -63.3 -45.0 -4.7 23.7 11.9 30 30 A b H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.923 112.0 50.3 -62.2 -45.2 -2.4 26.8 11.7 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.947 112.2 46.3 -61.9 -42.9 -0.7 25.6 15.0 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 6,-1.3 0.889 108.1 57.7 -67.8 -33.5 -0.1 22.1 13.7 33 33 A K H X5S+ 0 0 61 -4,-2.4 4,-1.7 4,-0.2 -1,-0.2 0.977 115.7 34.4 -59.2 -46.1 1.2 23.5 10.3 34 34 A F H <5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.780 120.2 49.6 -85.1 -26.6 3.9 25.6 12.1 35 35 A E H <5S- 0 0 35 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.929 137.6 -4.9 -72.7 -41.3 4.7 23.1 14.9 36 36 A S H ><5S- 0 0 10 -4,-2.5 3,-1.7 19,-0.4 -3,-0.2 0.426 82.6-115.7-137.8 0.7 5.0 20.0 12.7 37 37 A N T 3< - 0 0 45 4,-2.8 3,-2.0 -2,-0.4 -1,-0.0 -0.515 24.2-110.8 -95.1 158.6 14.6 21.7 23.5 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.811 117.3 59.9 -59.7 -29.3 17.6 23.4 25.1 48 48 A D T 3 S- 0 0 103 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.426 122.0-104.9 -79.6 -4.0 16.4 22.2 28.6 49 49 A G S < S+ 0 0 22 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.342 84.4 122.6 92.9 -3.3 16.7 18.5 27.4 50 50 A S - 0 0 1 19,-0.1 -4,-2.8 -5,-0.1 -1,-0.4 -0.363 53.3-138.4 -79.1 168.7 12.9 18.0 27.1 51 51 A T E -C 45 0C 8 -6,-0.2 9,-2.3 -3,-0.1 2,-0.4 -0.986 1.1-137.4-130.6 147.3 11.5 17.0 23.7 52 52 A D E -CD 44 59C 27 -8,-3.0 -8,-1.6 -2,-0.3 2,-0.4 -0.843 26.5-160.8-104.7 138.3 8.5 18.1 21.7 53 53 A Y E > -CD 43 58C 27 5,-2.3 5,-2.0 -2,-0.4 3,-0.3 -0.949 31.4 -15.6-129.7 132.2 6.4 15.3 20.0 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.8 -2,-0.4 30,-0.2 -0.103 98.8 -28.7 89.8-167.1 3.9 15.0 17.2 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.775 141.7 34.4 -63.9 -27.8 1.5 17.2 15.2 56 56 A L T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.205 105.0-125.2-112.3 13.9 1.2 19.7 18.0 57 57 A Q T < 5 - 0 0 10 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.884 34.4-167.3 49.2 50.0 4.8 19.4 19.4 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-2.3 -6,-0.1 2,-0.3 -0.545 17.0-121.6 -77.2 138.8 3.7 18.6 22.9 59 59 A N E >> -D 52 0C 30 -2,-0.3 4,-2.1 -7,-0.2 3,-0.9 -0.570 7.4-144.8 -97.6 138.6 6.5 18.8 25.4 60 60 A S T 34 S+ 0 0 0 -9,-2.3 6,-0.2 -2,-0.3 9,-0.1 0.562 90.1 81.2 -75.2 -10.7 7.9 16.1 27.7 61 61 A R T 34 S- 0 0 82 11,-0.2 12,-2.2 -10,-0.1 -1,-0.2 0.852 120.3 -4.3 -60.3 -39.2 8.6 18.6 30.5 62 62 A W T <4 S+ 0 0 111 -3,-0.9 13,-3.0 10,-0.2 -2,-0.2 0.622 131.6 45.3-121.0 -32.8 5.0 18.5 31.5 63 63 A W S < S+ 0 0 30 -4,-2.1 13,-2.0 11,-0.3 15,-0.3 0.776 102.9 19.0-109.9 -23.3 2.8 16.4 29.4 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 -1,-0.1 -0.965 68.4-109.6-145.1 162.8 4.1 13.0 28.5 65 65 A N B +e 79 0D 78 13,-2.7 15,-2.5 -2,-0.3 16,-0.4 -0.841 36.3 156.2-101.4 124.9 6.7 10.5 29.6 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.374 52.6-123.8-118.6 -0.2 9.8 9.8 27.6 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.474 96.7 73.8 76.7 1.5 12.0 8.5 30.3 68 68 A R + 0 0 108 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.079 65.0 90.7-139.6 25.9 14.7 11.1 29.6 69 69 A T S > S- 0 0 12 -9,-0.1 3,-2.0 3,-0.0 -2,-0.1 -0.814 71.5-140.0-122.9 88.1 13.4 14.5 30.9 70 70 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.238 80.1 7.0 -61.6 134.0 14.6 14.8 34.5 71 71 A G T 3 S+ 0 0 73 1,-0.2 -10,-0.0 0, 0.0 2,-0.0 0.482 99.8 138.6 83.1 4.2 12.2 16.3 37.0 72 72 A S < - 0 0 30 -3,-2.0 -1,-0.2 1,-0.1 -10,-0.2 -0.251 44.3-134.4 -78.8 165.2 9.4 16.3 34.4 73 73 A R - 0 0 145 -12,-2.2 -9,-0.4 -13,-0.1 -1,-0.1 -0.622 5.2-145.5-105.4 177.2 5.8 15.4 34.7 74 74 A N > + 0 0 50 -2,-0.2 3,-1.8 -11,-0.2 -11,-0.3 -0.537 30.5 161.2-141.8 65.4 3.4 13.3 32.6 75 75 A L T 3 S+ 0 0 69 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.757 74.5 52.8 -72.7 -21.3 0.1 15.1 33.0 76 76 A d T 3 S- 0 0 13 -13,-2.0 -1,-0.3 -14,-0.2 -12,-0.1 0.481 105.2-130.8 -84.1 -7.1 -1.5 13.6 29.9 77 77 A N < + 0 0 133 -3,-1.8 -2,-0.1 1,-0.2 -13,-0.1 0.922 65.3 114.7 57.7 52.5 -0.6 10.1 31.4 78 78 A I S S- 0 0 29 -15,-0.3 -13,-2.7 16,-0.0 2,-0.2 -0.996 73.4-105.5-147.7 151.9 0.9 8.9 28.1 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.555 36.9-123.4 -70.1 139.8 4.2 7.8 26.7 80 80 A c G > S+ 0 0 1 -15,-2.5 3,-2.0 1,-0.3 4,-0.2 0.832 108.1 70.4 -58.2 -27.3 5.5 10.6 24.4 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.783 84.3 66.3 -59.9 -24.0 5.6 8.0 21.6 82 82 A A G X S+ 0 0 30 -3,-1.9 3,-0.8 1,-0.3 9,-0.3 0.690 90.4 65.9 -65.8 -25.8 1.9 7.9 21.5 83 83 A L G < S+ 0 0 1 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.456 95.6 58.0 -70.9 -4.8 2.0 11.4 20.3 84 84 A L G < S+ 0 0 42 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.456 80.4 121.2-107.6 3.5 3.7 10.2 17.1 85 85 A S S < S- 0 0 51 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.136 72.4-124.3 -65.1 152.6 1.0 7.8 16.0 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.786 102.4 74.9 -62.6 -27.5 -0.9 8.1 12.7 87 87 A D S > S- 0 0 89 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.813 74.7-157.5 -88.2 119.8 -4.1 8.2 14.8 88 88 A I T 3> + 0 0 5 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.364 62.2 107.1 -82.1 7.8 -4.2 11.7 16.4 89 89 A T H 3> S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.927 80.3 45.8 -58.4 -43.4 -6.4 10.8 19.3 90 90 A A H <> S+ 0 0 24 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.913 114.0 48.7 -68.6 -38.4 -3.7 10.9 22.0 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.7 -4,-0.3 -1,-0.2 0.890 114.1 47.3 -63.9 -41.0 -2.3 14.3 20.7 92 92 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.938 112.0 48.4 -67.2 -47.5 -5.9 15.8 20.6 93 93 A N H X S+ 0 0 76 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.882 115.2 44.5 -59.9 -39.4 -6.8 14.6 24.1 94 94 A d H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.3 3,-0.2 0.905 109.7 56.4 -74.2 -38.8 -3.5 15.9 25.6 95 95 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.846 102.3 56.7 -55.5 -38.7 -3.9 19.2 23.6 96 96 A K H X S+ 0 0 42 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.899 108.1 47.1 -61.2 -35.2 -7.3 19.7 25.3 97 97 A K H < S+ 0 0 100 -4,-1.1 3,-0.4 -3,-0.2 -2,-0.2 0.942 113.5 48.7 -70.1 -40.0 -5.7 19.4 28.7 98 98 A I H >< S+ 0 0 8 -4,-2.3 3,-1.8 1,-0.2 5,-0.3 0.917 110.5 48.8 -63.9 -50.3 -2.9 21.9 27.7 99 99 A V H 3< S+ 0 0 4 -4,-2.8 5,-0.4 1,-0.3 3,-0.4 0.698 110.2 53.1 -67.1 -16.8 -5.3 24.5 26.2 100 100 A S T 3< S+ 0 0 33 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.379 84.0 93.7 -86.4 -1.1 -7.4 24.3 29.4 101 101 A D S < S- 0 0 111 -3,-1.8 -1,-0.2 3,-0.2 -2,-0.1 0.559 108.8 -88.6 -79.4 -11.0 -4.3 24.9 31.7 102 102 A G S S+ 0 0 66 -3,-0.4 -3,-0.1 -4,-0.2 -1,-0.1 -0.058 115.4 66.2 134.8 -37.5 -4.8 28.8 31.9 103 103 A N S > S- 0 0 118 -5,-0.3 3,-1.6 1,-0.3 -3,-0.1 0.356 82.0-149.6-107.1 11.1 -3.0 30.4 29.0 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.5 1,-0.2 -1,-0.3 -0.275 69.4 -16.7 58.9-143.8 -5.1 29.0 26.2 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.4 0.618 116.0 90.5 -78.5 -3.3 -3.2 28.5 22.9 106 106 A N G < + 0 0 50 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.714 68.2 81.3 -59.7 -18.8 -0.4 30.7 24.0 107 107 A A G < S+ 0 0 54 -3,-1.5 2,-0.9 1,-0.1 -1,-0.3 0.779 84.2 65.2 -51.7 -34.4 1.1 27.4 25.4 108 108 A W S <> S- 0 0 10 -3,-2.1 4,-2.2 1,-0.2 3,-0.3 -0.844 73.8-163.5 -95.0 107.6 2.2 26.8 21.8 109 109 A V H > S+ 0 0 83 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.863 89.6 56.0 -59.8 -39.1 4.8 29.5 21.1 110 110 A A H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.853 107.7 50.8 -65.3 -32.0 4.5 29.0 17.2 111 111 A W H >>S+ 0 0 12 -3,-0.3 5,-3.1 -6,-0.2 4,-2.5 0.972 112.3 45.3 -66.8 -49.9 0.7 29.6 17.5 112 112 A R H <5S+ 0 0 110 -4,-2.2 -2,-0.2 -7,-0.4 -1,-0.2 0.912 121.5 38.6 -57.2 -42.2 1.2 32.9 19.5 113 113 A N H <5S+ 0 0 100 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.753 133.2 18.5 -85.7 -19.1 4.0 34.0 17.1 114 114 A R H <5S+ 0 0 137 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.569 131.9 28.6-129.5 -13.9 2.5 32.9 13.7 115 115 A b T ><5S+ 0 0 0 -4,-2.5 3,-2.2 -5,-0.4 5,-0.2 0.722 85.6 101.0-117.2 -48.0 -1.2 32.2 14.1 116 116 A K T 3 + 0 0 102 1,-0.2 3,-1.7 -3,-0.1 4,-0.3 -0.457 56.0 168.1 -79.7 72.4 -6.8 35.1 9.3 120 120 A V G > + 0 0 16 -2,-2.3 3,-1.6 1,-0.3 4,-0.3 0.720 62.4 75.2 -65.0 -21.2 -6.8 31.6 10.6 121 121 A Q G >> S+ 0 0 87 1,-0.3 3,-2.0 2,-0.2 4,-0.7 0.815 80.4 74.5 -62.3 -19.7 -10.0 30.6 8.8 122 122 A A G X4 S+ 0 0 38 -3,-1.7 3,-0.7 1,-0.3 -1,-0.3 0.847 85.8 65.8 -60.7 -28.8 -7.8 30.5 5.6 123 123 A W G <4 S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.764 110.7 32.1 -69.6 -19.5 -6.4 27.2 7.0 124 124 A I G X4 S+ 0 0 35 -3,-2.0 3,-2.0 -4,-0.3 -1,-0.2 0.351 88.3 133.8-115.2 5.9 -9.8 25.4 6.6 125 125 A R T << S+ 0 0 120 -3,-0.7 3,-0.1 -4,-0.7 -119,-0.1 -0.314 77.3 9.1 -62.2 124.8 -10.9 27.4 3.5 126 126 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.417 95.1 133.6 87.7 -7.3 -12.3 25.0 0.9 127 127 A a < - 0 0 18 -3,-2.0 2,-0.7 1,-0.0 -1,-0.3 -0.652 61.6-123.3 -81.5 140.7 -12.3 22.0 3.1 128 128 A R 0 0 241 -2,-0.3 -118,-0.1 1,-0.2 -1,-0.0 -0.703 360.0 360.0 -81.0 113.1 -15.4 19.7 3.3 129 129 A L 0 0 95 -2,-0.7 -1,-0.2 -116,-0.0 -2,-0.0 0.598 360.0 360.0-137.3 360.0 -16.1 19.8 7.0