==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUL-12 4B0D . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR F.CIPRIANI,M.ROWER,C.LANDRET,U.ZANDER,F.FELISAZ,J.A.MARQUEZ . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6541.0 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 94 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.1 2.0 10.3 9.2 2 2 A V B -A 39 0A 99 37,-0.3 37,-0.2 38,-0.1 2,-0.2 -0.918 360.0-150.7-103.4 109.3 2.0 13.6 7.4 3 3 A F - 0 0 11 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.504 11.4-121.9 -74.2 150.3 -1.6 14.8 7.4 4 4 A G > - 0 0 35 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.536 32.0-109.0 -79.4 158.0 -3.1 17.0 4.7 5 5 A R H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.944 117.5 38.1 -56.6 -56.2 -4.5 20.3 6.0 6 6 A a H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 113.8 57.8 -69.9 -29.2 -8.2 19.5 5.4 7 7 A E H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.920 108.5 44.7 -62.5 -43.6 -7.6 15.9 6.5 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.923 108.4 58.2 -66.1 -38.4 -6.3 17.0 10.0 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.942 107.6 47.4 -57.2 -45.9 -9.1 19.5 10.3 10 10 A A H X S+ 0 0 51 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.925 112.7 47.9 -63.4 -39.5 -11.6 16.7 10.0 11 11 A A H X S+ 0 0 15 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.928 111.8 49.7 -70.8 -38.6 -9.8 14.4 12.5 12 12 A M H <>S+ 0 0 1 -4,-3.0 5,-2.4 2,-0.2 6,-0.5 0.925 111.5 49.7 -65.7 -39.6 -9.5 17.3 15.0 13 13 A K H ><5S+ 0 0 84 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.936 109.3 51.5 -61.5 -44.8 -13.3 18.0 14.6 14 14 A R H 3<5S+ 0 0 189 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.8 53.0 -62.1 -35.7 -14.2 14.4 15.1 15 15 A H T 3<5S- 0 0 29 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.301 119.9-108.5 -88.4 14.0 -12.1 14.4 18.3 16 16 A G T < 5S+ 0 0 33 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.698 82.6 122.5 80.4 19.0 -13.9 17.4 19.7 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.1 -6,-0.1 2,-0.2 0.750 40.6 103.7 -87.8 -26.7 -11.1 20.0 19.4 18 18 A D T 3 S- 0 0 42 -6,-0.5 6,-0.2 1,-0.3 3,-0.1 -0.430 101.6 -2.7 -63.9 123.7 -13.0 22.4 17.3 19 19 A N T > S+ 0 0 108 4,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.530 91.8 157.6 70.6 10.5 -14.2 25.3 19.5 20 20 A Y B X S-B 23 0B 64 -3,-2.1 3,-2.0 3,-0.6 -1,-0.3 -0.481 76.3 -1.8 -68.9 130.8 -12.6 23.6 22.5 21 21 A R T 3 S- 0 0 143 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.715 134.6 -62.0 55.2 26.8 -11.9 26.3 25.2 22 22 A G T < S+ 0 0 68 -3,-2.1 2,-0.7 1,-0.2 -1,-0.3 0.518 103.3 132.8 84.4 6.2 -13.3 28.8 22.6 23 23 A Y B < -B 20 0B 46 -3,-2.0 -4,-1.8 -6,-0.2 -3,-0.6 -0.831 51.6-135.5-100.0 114.9 -10.5 28.1 20.0 24 24 A S >> - 0 0 44 -2,-0.7 3,-1.4 -5,-0.2 4,-1.1 -0.147 27.1-102.0 -64.7 159.0 -12.0 27.6 16.5 25 25 A L H 3> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.833 118.9 61.1 -54.0 -37.0 -10.7 24.8 14.4 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.819 99.3 57.3 -61.8 -31.9 -8.5 27.0 12.3 27 27 A N H <> S+ 0 0 22 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.914 109.3 44.8 -62.7 -43.3 -6.5 27.9 15.4 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.875 114.3 48.3 -68.9 -42.2 -5.7 24.2 16.0 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 112.4 48.7 -66.3 -42.2 -4.8 23.6 12.4 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.925 110.5 51.7 -63.3 -41.4 -2.6 26.6 12.2 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.934 111.7 46.4 -61.2 -44.9 -0.9 25.6 15.5 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 6,-1.3 0.897 108.4 57.4 -65.6 -37.6 -0.2 22.1 14.1 33 33 A K H X5S+ 0 0 60 -4,-2.5 4,-1.4 4,-0.2 -1,-0.2 0.941 116.4 33.0 -56.2 -51.8 1.0 23.5 10.8 34 34 A F H <5S+ 0 0 59 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.727 119.8 50.3 -87.6 -16.7 3.7 25.6 12.6 35 35 A E H <5S- 0 0 36 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.906 138.1 -4.9 -79.0 -41.1 4.5 23.2 15.4 36 36 A S H ><5S- 0 0 12 -4,-2.5 3,-1.5 19,-0.4 -3,-0.2 0.367 83.7-116.4-135.2 -4.6 5.0 20.1 13.3 37 37 A N T 3< - 0 0 48 4,-2.8 3,-2.2 -2,-0.4 -1,-0.0 -0.563 26.1-107.2 -91.5 156.5 14.7 21.7 24.0 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.802 117.0 57.7 -52.3 -36.7 17.7 23.4 25.6 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.489 122.0-101.0 -77.4 0.8 16.8 22.0 29.0 49 49 A G S < S+ 0 0 22 -3,-2.2 -2,-0.1 1,-0.4 -1,-0.1 0.242 85.6 120.6 95.1 -15.2 16.8 18.4 27.9 50 50 A S - 0 0 0 19,-0.1 -4,-2.8 -5,-0.1 -1,-0.4 -0.299 52.0-140.4 -70.7 167.5 13.1 18.0 27.5 51 51 A T E -C 45 0C 2 -6,-0.2 9,-2.8 -3,-0.1 2,-0.4 -0.986 2.7-136.6-134.4 144.4 11.6 17.0 24.1 52 52 A D E -CD 44 59C 27 -8,-3.0 -8,-1.9 -2,-0.3 2,-0.4 -0.865 27.2-158.4-101.8 136.9 8.5 18.1 22.2 53 53 A Y E > -CD 43 58C 22 5,-2.1 5,-2.2 -2,-0.4 3,-0.4 -0.960 30.7 -18.1-125.2 134.6 6.5 15.4 20.6 54 54 A G T > 5S- 0 0 0 -12,-2.8 3,-1.7 -2,-0.4 30,-0.2 -0.136 98.7 -26.9 87.4-167.6 4.0 15.1 17.8 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.769 141.5 33.2 -63.5 -26.5 1.6 17.2 15.7 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.201 106.1-122.8-116.4 16.5 1.3 19.8 18.6 57 57 A Q T < 5 - 0 0 10 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.914 34.7-164.8 48.7 57.5 4.8 19.4 20.0 58 58 A I E < -D 53 0C 1 -5,-2.2 -5,-2.1 25,-0.1 2,-0.4 -0.566 16.8-121.4 -82.7 134.2 3.7 18.6 23.5 59 59 A N E >> -D 52 0C 28 -2,-0.3 4,-2.5 -7,-0.2 3,-1.5 -0.628 9.1-149.6 -91.9 130.9 6.6 18.9 26.0 60 60 A S T 34 S+ 0 0 0 -9,-2.8 6,-0.2 -2,-0.4 -1,-0.1 0.585 90.7 80.0 -68.0 -11.3 8.0 16.1 28.2 61 61 A R T 34 S- 0 0 52 -10,-0.2 12,-2.2 11,-0.2 -1,-0.3 0.831 120.5 -3.3 -60.8 -37.0 8.9 18.7 30.8 62 62 A W T <4 S+ 0 0 134 -3,-1.5 13,-2.7 10,-0.2 -2,-0.2 0.646 132.2 41.9-124.0 -35.3 5.2 18.7 31.9 63 63 A W S < S+ 0 0 30 -4,-2.5 13,-1.7 11,-0.3 15,-0.3 0.676 104.3 23.5-113.3 -21.8 2.9 16.5 30.0 64 64 A c - 0 0 0 9,-0.4 2,-0.5 -5,-0.4 -1,-0.1 -0.964 68.5-113.0-144.5 160.0 4.2 13.1 29.0 65 65 A N B +e 79 0D 78 13,-2.6 15,-2.6 -2,-0.3 16,-0.4 -0.859 35.5 157.5-101.3 126.2 6.9 10.6 30.2 66 66 A D - 0 0 37 -2,-0.5 -1,-0.1 13,-0.2 8,-0.0 0.337 50.7-127.2-118.4 0.2 9.9 9.9 28.0 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.456 95.9 79.3 67.2 10.3 12.2 8.6 30.8 68 68 A R + 0 0 107 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 -0.028 68.1 82.7-138.5 18.6 14.9 11.1 29.8 69 69 A T S > S- 0 0 5 -9,-0.1 3,-2.2 3,-0.1 -2,-0.1 -0.594 73.3-151.8-129.9 74.0 13.6 14.4 31.4 70 70 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.028 78.4 14.5 -48.0 130.8 14.8 14.1 35.0 71 71 A G T 3 S+ 0 0 85 1,-0.2 -10,-0.0 0, 0.0 2,-0.0 0.443 97.7 132.4 84.5 -1.4 12.6 16.0 37.3 72 72 A S < - 0 0 33 -3,-2.2 -10,-0.2 1,-0.1 -1,-0.2 -0.226 50.0-124.2 -81.6 168.5 9.7 16.4 34.9 73 73 A R - 0 0 148 -12,-2.2 -9,-0.4 -3,-0.1 -1,-0.1 -0.550 1.7-148.8-103.9 174.5 6.0 15.8 35.3 74 74 A N > + 0 0 51 -11,-0.2 3,-1.7 -2,-0.2 -11,-0.3 -0.525 29.0 161.9-141.8 65.9 3.6 13.5 33.2 75 75 A L T 3 S+ 0 0 62 -13,-2.7 -12,-0.2 1,-0.3 -11,-0.1 0.755 75.1 51.2 -69.1 -25.5 0.3 15.4 33.5 76 76 A d T 3 S- 0 0 8 -13,-1.7 -1,-0.3 2,-0.2 -12,-0.1 0.524 104.2-132.5 -85.3 -5.6 -1.3 13.7 30.6 77 77 A N < + 0 0 124 -3,-1.7 -13,-0.1 1,-0.2 -2,-0.1 0.927 65.1 113.5 56.8 50.2 -0.4 10.3 32.1 78 78 A I S S- 0 0 33 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.999 73.8-103.0-145.4 153.9 1.0 9.0 28.9 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.538 35.3-125.2 -72.3 143.5 4.3 7.9 27.3 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-2.0 1,-0.3 4,-0.2 0.851 108.3 68.9 -60.9 -28.5 5.6 10.6 24.9 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.815 87.3 67.1 -59.6 -28.2 5.7 8.0 22.1 82 82 A A G X S+ 0 0 30 -3,-1.7 3,-0.8 1,-0.3 9,-0.3 0.757 91.6 62.2 -58.5 -27.3 1.9 7.9 22.2 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.5 -4,-0.4 -1,-0.3 0.458 96.7 59.5 -82.8 3.4 2.0 11.4 20.9 84 84 A L G < S+ 0 0 43 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.446 78.9 120.0-107.3 -2.8 3.8 10.2 17.7 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.148 73.3-121.7 -64.4 156.7 1.1 7.9 16.5 86 86 A S S S+ 0 0 70 2,-0.1 2,-0.5 -45,-0.0 -1,-0.1 0.834 101.8 73.7 -64.1 -32.0 -0.8 8.1 13.2 87 87 A D S > S- 0 0 88 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.772 75.4-154.4 -85.1 123.3 -4.0 8.3 15.3 88 88 A I T 3> + 0 0 7 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.428 63.7 106.3 -84.3 6.2 -4.2 11.8 16.9 89 89 A T H 3> S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.879 81.0 46.2 -54.4 -50.8 -6.4 10.8 19.8 90 90 A A H <> S+ 0 0 24 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.924 113.7 49.0 -63.2 -42.0 -3.6 10.9 22.5 91 91 A S H > S+ 0 0 6 -9,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.907 113.0 47.6 -62.3 -41.5 -2.3 14.3 21.2 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.941 110.7 51.0 -64.9 -46.8 -5.9 15.8 21.2 93 93 A N H X S+ 0 0 83 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.900 115.0 43.2 -58.8 -42.0 -6.7 14.5 24.7 94 94 A d H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 3,-0.3 0.926 109.0 56.2 -72.8 -38.4 -3.5 16.0 26.0 95 95 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.866 103.0 57.7 -60.2 -33.3 -3.9 19.2 24.1 96 96 A K H X S+ 0 0 43 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.907 108.0 47.0 -62.4 -40.2 -7.3 19.6 25.8 97 97 A K H >< S+ 0 0 98 -4,-1.3 3,-0.7 -3,-0.3 4,-0.2 0.937 112.6 48.7 -64.1 -46.9 -5.6 19.5 29.2 98 98 A I H >< S+ 0 0 3 -4,-2.5 3,-1.8 1,-0.3 5,-0.4 0.932 109.9 49.8 -60.5 -49.8 -2.9 21.9 28.2 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.4 1,-0.3 3,-0.3 0.632 109.5 55.5 -66.3 -15.7 -5.3 24.5 26.7 100 100 A S T << S+ 0 0 36 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.350 81.3 90.2 -88.9 -4.0 -7.4 24.3 29.9 101 101 A D S < S- 0 0 78 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 0.453 110.5 -87.7 -84.6 1.0 -4.5 25.1 32.3 102 102 A G S S+ 0 0 65 -3,-0.3 -3,-0.1 -4,-0.1 -1,-0.1 -0.032 114.4 71.7 128.8 -31.0 -5.0 28.9 32.3 103 103 A N S > S- 0 0 111 -5,-0.4 3,-1.7 1,-0.3 4,-0.1 0.371 78.4-153.3-101.2 6.0 -3.0 30.2 29.4 104 104 A G G > - 0 0 9 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.246 67.6 -20.4 55.9-142.5 -5.1 29.0 26.6 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.3 0.543 115.6 92.2 -80.9 -1.5 -3.3 28.4 23.3 106 106 A N G < + 0 0 54 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.666 67.7 81.0 -62.8 -12.2 -0.4 30.6 24.5 107 107 A A G < S+ 0 0 46 -3,-1.2 2,-0.8 1,-0.1 -1,-0.3 0.759 83.8 67.2 -57.6 -27.4 1.0 27.3 25.7 108 108 A W S <> S- 0 0 8 -3,-2.2 4,-2.3 1,-0.2 3,-0.4 -0.870 71.7-163.5-101.4 104.4 2.1 26.8 22.0 109 109 A V H > S+ 0 0 84 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.885 89.7 54.3 -59.1 -38.7 4.8 29.4 21.2 110 110 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.839 107.9 52.2 -66.8 -33.3 4.4 28.9 17.4 111 111 A W H >>S+ 0 0 11 -3,-0.4 5,-2.9 -6,-0.2 4,-2.4 0.957 110.7 46.6 -64.8 -48.4 0.6 29.6 17.8 112 112 A R H <5S+ 0 0 112 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.917 122.2 36.3 -56.9 -45.7 1.3 32.9 19.7 113 113 A N H <5S+ 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.724 132.7 21.4 -85.6 -17.9 3.9 34.0 17.2 114 114 A R H <5S+ 0 0 141 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.506 131.3 25.7-130.3 -11.9 2.5 32.8 14.0 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.4 -3,-0.2 0.751 86.3 99.4-123.3 -44.3 -1.3 32.2 14.4 116 116 A K T 3 + 0 0 96 1,-0.2 3,-1.6 -2,-0.1 4,-0.3 -0.456 54.2 169.4 -79.7 77.0 -6.8 35.0 9.7 120 120 A V G > + 0 0 17 -2,-2.2 3,-1.8 1,-0.3 4,-0.3 0.755 63.9 74.5 -70.4 -21.7 -6.8 31.5 11.1 121 121 A Q G >> S+ 0 0 90 1,-0.3 3,-2.0 -3,-0.2 4,-0.6 0.802 80.1 76.4 -60.3 -24.7 -10.0 30.5 9.2 122 122 A A G X4 S+ 0 0 36 -3,-1.6 3,-0.8 1,-0.3 -1,-0.3 0.828 85.4 63.6 -48.8 -34.5 -7.8 30.4 6.1 123 123 A W G <4 S+ 0 0 55 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.715 111.5 33.0 -71.8 -16.3 -6.4 27.1 7.5 124 124 A I G X4 S+ 0 0 35 -3,-2.0 3,-1.8 -4,-0.3 -1,-0.2 0.344 89.9 130.9-113.5 5.1 -9.8 25.4 7.2 125 125 A R T << S+ 0 0 115 -3,-0.8 3,-0.1 -4,-0.6 -3,-0.0 -0.357 76.8 10.7 -68.9 136.8 -11.0 27.3 4.0 126 126 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.297 94.5 134.5 78.3 -6.4 -12.4 25.2 1.3 127 127 A a < - 0 0 19 -3,-1.8 2,-1.8 1,-0.1 -1,-0.2 -0.520 64.6-118.9 -76.6 147.1 -12.4 22.1 3.5 128 128 A R 0 0 247 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.1 -0.406 360.0 360.0 -83.0 81.3 -15.5 19.9 3.4 129 129 A L 0 0 102 -2,-1.8 -1,-0.2 -5,-0.1 -2,-0.0 0.815 360.0 360.0-107.0 360.0 -16.4 20.3 7.1