==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-12 4FJR . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR P.MITRA,M.BANERJEE,S.BASU,S.BISWAS . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6706.0 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 . 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 85 0, 0.0 39,-3.3 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 134.8 2.3 10.5 8.8 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.3 38,-0.1 36,-0.1 -0.903 360.0-149.6-102.0 109.3 2.2 13.9 7.1 3 3 A F - 0 0 14 35,-3.0 2,-0.2 -2,-0.8 3,-0.0 -0.346 8.3-124.2 -75.8 157.9 -1.3 15.2 7.1 4 4 A G > - 0 0 32 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 -0.666 29.9-106.6 -96.3 159.3 -2.9 17.4 4.5 5 5 A R H > S+ 0 0 97 -2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.951 118.4 31.4 -49.3 -65.6 -4.4 20.7 5.5 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.836 116.6 59.9 -64.4 -32.5 -8.1 19.8 5.1 7 7 A E H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 108.6 43.7 -62.2 -42.0 -7.4 16.2 6.1 8 8 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.880 109.6 55.8 -70.9 -37.6 -6.0 17.4 9.5 9 9 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.919 110.1 47.5 -60.0 -41.8 -8.8 19.8 10.0 10 10 A A H X S+ 0 0 45 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.905 112.2 47.7 -65.8 -44.0 -11.2 16.9 9.6 11 11 A A H X S+ 0 0 18 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.910 112.7 50.5 -64.3 -40.9 -9.4 14.7 12.0 12 12 A M H <>S+ 0 0 2 -4,-3.0 5,-2.5 2,-0.2 6,-0.3 0.930 112.7 44.9 -62.5 -46.0 -9.2 17.5 14.5 13 13 A K H ><5S+ 0 0 83 -4,-2.5 3,-2.5 1,-0.2 -2,-0.2 0.923 108.6 57.5 -63.4 -43.7 -12.9 18.2 14.3 14 14 A R H 3<5S+ 0 0 192 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.832 107.5 49.1 -56.4 -32.3 -13.7 14.5 14.4 15 15 A H T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.120 122.3-107.0 -95.7 22.0 -11.8 14.4 17.7 16 16 A G T < 5S+ 0 0 34 -3,-2.5 -3,-0.2 1,-0.1 -2,-0.1 0.754 81.4 127.1 63.0 30.4 -13.7 17.4 19.1 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.2 -6,-0.1 2,-0.2 0.753 38.7 105.2 -87.0 -25.3 -11.0 20.0 18.8 18 18 A D T 3 S- 0 0 46 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.383 100.5 -4.2 -63.3 122.7 -12.9 22.5 16.8 19 19 A N T > S+ 0 0 107 4,-1.7 3,-2.0 1,-0.3 -1,-0.3 0.579 90.5 159.4 71.1 11.6 -14.0 25.4 19.1 20 20 A Y B X S-B 23 0B 73 -3,-2.2 3,-1.9 3,-0.6 -1,-0.3 -0.504 77.0 -2.3 -67.1 128.9 -12.5 23.7 22.1 21 21 A R T 3 S- 0 0 156 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.783 134.9 -61.5 58.0 26.7 -11.9 26.3 24.8 22 22 A G T < S+ 0 0 68 -3,-2.0 2,-0.8 1,-0.2 -1,-0.3 0.510 102.9 133.3 81.2 4.7 -13.1 28.8 22.2 23 23 A Y B < -B 20 0B 48 -3,-1.9 -4,-1.7 -6,-0.2 -3,-0.6 -0.806 51.4-135.2 -95.9 110.5 -10.4 28.2 19.7 24 24 A S >> - 0 0 42 -2,-0.8 4,-1.1 -5,-0.2 3,-1.0 -0.122 26.1-105.3 -58.0 157.0 -11.8 27.7 16.1 25 25 A L H 3> S+ 0 0 16 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.822 118.5 63.5 -52.8 -38.7 -10.5 24.9 14.0 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.888 100.1 54.1 -55.8 -39.7 -8.4 27.3 11.9 27 27 A N H <> S+ 0 0 22 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.881 109.8 45.3 -61.8 -42.5 -6.3 28.1 15.0 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.905 114.4 47.9 -69.1 -42.4 -5.5 24.5 15.7 29 29 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.907 111.5 50.9 -65.1 -41.6 -4.6 23.8 12.1 30 30 A b H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 5,-0.2 0.930 110.6 48.9 -61.3 -46.1 -2.5 26.9 12.0 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.909 110.9 50.1 -60.8 -42.4 -0.6 25.8 15.1 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 6,-1.2 0.900 106.8 57.3 -62.9 -39.8 -0.1 22.4 13.7 33 33 A K H X5S+ 0 0 66 -4,-2.4 4,-1.2 4,-0.2 -2,-0.2 0.939 115.1 33.8 -56.2 -50.8 1.3 23.9 10.5 34 34 A F H <5S+ 0 0 54 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.647 119.2 50.7 -84.9 -14.6 4.0 25.9 12.2 35 35 A E H <5S- 0 0 43 -4,-1.8 -2,-0.2 20,-0.2 -3,-0.2 0.905 138.3 -5.8 -85.6 -45.5 4.8 23.4 15.0 36 36 A S H ><5S- 0 0 10 -4,-2.4 3,-1.5 19,-0.5 -3,-0.2 0.440 81.8-119.8-130.1 -1.1 5.2 20.3 12.8 37 37 A N T 3< - 0 0 44 4,-2.7 3,-2.2 -2,-0.4 -1,-0.0 -0.607 24.4-111.8 -94.2 157.1 15.1 21.9 23.5 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.759 115.5 60.1 -56.8 -26.8 18.2 23.5 25.1 48 48 A D T 3 S- 0 0 105 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.402 120.8-103.6 -84.6 2.5 16.9 22.4 28.5 49 49 A G S < S+ 0 0 24 -3,-2.2 -2,-0.1 1,-0.4 -1,-0.0 0.211 84.8 118.1 97.3 -17.1 16.9 18.7 27.6 50 50 A S - 0 0 2 19,-0.1 -4,-2.7 -5,-0.1 -1,-0.4 -0.270 52.9-140.2 -76.7 171.4 13.2 18.3 27.1 51 51 A T E -C 45 0C 4 -6,-0.2 9,-1.7 -3,-0.1 2,-0.4 -0.990 3.5-136.3-138.3 144.2 11.7 17.3 23.7 52 52 A D E -CD 44 59C 22 -8,-2.8 -8,-1.6 -2,-0.3 2,-0.4 -0.836 27.1-162.6 -98.6 136.2 8.7 18.4 21.7 53 53 A Y E > -CD 43 58C 30 5,-2.4 5,-2.3 -2,-0.4 3,-0.4 -0.944 30.5 -14.8-127.6 142.0 6.7 15.6 20.1 54 54 A G T > 5S- 0 0 0 -12,-2.0 3,-2.0 -2,-0.4 30,-0.2 -0.020 97.5 -28.4 79.5-176.7 4.1 15.3 17.3 55 55 A I T 3 5S+ 0 0 2 28,-0.5 -19,-0.5 1,-0.3 -17,-0.3 0.731 143.0 30.7 -50.4 -31.4 1.7 17.3 15.2 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.197 106.7-122.8-116.8 13.8 1.4 19.9 17.9 57 57 A Q T < 5 - 0 0 18 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.895 32.3-163.5 45.6 56.7 4.9 19.5 19.5 58 58 A I E < -D 53 0C 2 -5,-2.3 -5,-2.4 -6,-0.1 2,-0.2 -0.544 17.1-126.3 -71.1 130.8 3.8 18.6 23.0 59 59 A N E >> -D 52 0C 30 -2,-0.3 4,-1.5 -7,-0.2 3,-0.5 -0.525 3.9-140.5 -85.3 146.4 6.7 19.1 25.4 60 60 A S T 34 S+ 0 0 0 -9,-1.7 6,-0.2 1,-0.2 13,-0.2 0.541 87.7 81.1 -81.1 -9.4 8.0 16.4 27.8 61 61 A R T 34 S- 0 0 84 11,-0.2 12,-2.2 -10,-0.1 -1,-0.2 0.878 120.2 -1.7 -66.5 -30.9 8.8 18.7 30.7 62 62 A W T <4 S+ 0 0 107 -3,-0.5 13,-2.9 10,-0.2 -2,-0.2 0.714 131.0 45.9-123.8 -39.3 5.1 18.7 31.7 63 63 A W S < S+ 0 0 28 -4,-1.5 13,-1.7 11,-0.3 15,-0.3 0.722 105.3 17.5 -92.3 -26.2 2.9 16.6 29.4 64 64 A c - 0 0 0 -5,-0.5 2,-0.5 9,-0.4 11,-0.1 -0.954 68.0-113.4-144.2 162.9 4.3 13.2 28.5 65 65 A N B +e 79 0D 78 13,-2.7 15,-2.6 -2,-0.3 16,-0.4 -0.872 36.3 155.0-104.8 130.0 7.0 10.8 29.7 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 13,-0.2 8,-0.0 0.237 53.3-125.2-126.9 6.0 10.1 10.0 27.6 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.479 94.6 80.4 63.7 4.2 12.2 8.9 30.5 68 68 A R + 0 0 115 1,-0.1 -1,-0.1 2,-0.1 -8,-0.0 -0.021 64.1 87.7-130.4 31.9 15.0 11.4 29.6 69 69 A T S > S- 0 0 12 -9,-0.1 3,-2.1 3,-0.1 -2,-0.1 -0.708 73.8-140.2-132.3 80.6 13.7 14.7 31.0 70 70 A P T 3 S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.066 82.6 7.9 -43.7 127.7 14.9 14.9 34.7 71 71 A G T 3 S+ 0 0 71 1,-0.2 2,-0.0 0, 0.0 -10,-0.0 0.510 98.1 139.2 77.1 5.0 12.3 16.4 37.1 72 72 A S < - 0 0 29 -3,-2.1 -1,-0.2 1,-0.1 2,-0.2 -0.271 42.9-138.1 -78.6 168.1 9.6 16.4 34.4 73 73 A R - 0 0 144 -12,-2.2 -9,-0.4 -13,-0.2 3,-0.1 -0.654 6.0-142.8-116.6 172.8 5.9 15.4 34.9 74 74 A N > + 0 0 47 -2,-0.2 3,-1.5 -11,-0.2 -11,-0.3 -0.556 30.2 163.0-138.5 67.5 3.6 13.4 32.7 75 75 A L T 3 S+ 0 0 59 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.719 76.7 52.2 -63.4 -24.1 0.3 15.2 33.0 76 76 A d T 3 S- 0 0 10 -13,-1.7 -1,-0.3 -14,-0.2 -12,-0.1 0.549 105.2-132.9 -89.0 -5.8 -1.3 13.6 30.0 77 77 A N < + 0 0 129 -3,-1.5 -13,-0.1 1,-0.2 -2,-0.1 0.914 64.2 112.8 55.1 53.0 -0.3 10.2 31.4 78 78 A I S S- 0 0 32 -15,-0.3 -13,-2.7 16,-0.0 2,-0.2 -0.984 74.6-103.0-149.9 152.8 1.2 8.9 28.2 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.609 37.4-122.8 -75.4 143.1 4.6 7.9 26.7 80 80 A c G > S+ 0 0 2 -15,-2.6 3,-1.7 1,-0.3 -14,-0.1 0.791 109.3 70.5 -56.6 -26.1 5.7 10.8 24.5 81 81 A S G > S+ 0 0 79 -16,-0.4 3,-2.4 1,-0.3 4,-0.3 0.843 84.1 67.0 -59.7 -34.2 5.9 8.2 21.7 82 82 A A G X S+ 0 0 31 -3,-1.6 3,-0.7 1,-0.3 9,-0.3 0.715 91.7 64.7 -60.7 -18.2 2.1 8.0 21.6 83 83 A L G < S+ 0 0 1 -3,-1.7 -28,-0.5 -4,-0.4 -1,-0.3 0.478 94.5 59.0 -83.1 -2.4 2.3 11.6 20.3 84 84 A L G < S+ 0 0 45 -3,-2.4 -1,-0.2 -30,-0.2 -2,-0.2 0.420 81.6 118.7-104.5 -1.5 4.0 10.4 17.1 85 85 A S S < S- 0 0 58 -3,-0.7 6,-0.1 -4,-0.3 -3,-0.0 -0.166 74.0-121.2 -66.9 156.4 1.3 8.0 15.9 86 86 A S S S+ 0 0 72 2,-0.1 2,-0.5 -45,-0.0 -1,-0.1 0.898 102.5 73.6 -61.8 -40.2 -0.7 8.3 12.7 87 87 A D S S- 0 0 85 1,-0.1 3,-0.5 -5,-0.0 4,-0.3 -0.663 73.5-158.2 -77.8 122.2 -3.8 8.4 14.8 88 88 A I > + 0 0 5 -2,-0.5 4,-2.6 1,-0.2 5,-0.3 0.392 62.1 107.2 -84.0 4.7 -3.9 11.9 16.4 89 89 A T H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 80.6 46.9 -48.9 -50.2 -6.2 10.9 19.3 90 90 A A H > S+ 0 0 25 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.929 113.5 48.0 -59.0 -48.7 -3.4 11.1 21.9 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.884 113.2 48.2 -60.3 -41.9 -2.1 14.4 20.7 92 92 A V H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.920 111.5 49.0 -66.6 -44.8 -5.6 15.9 20.6 93 93 A N H X S+ 0 0 71 -4,-2.7 4,-1.0 -5,-0.3 -2,-0.2 0.880 115.0 45.0 -63.1 -38.1 -6.5 14.7 24.1 94 94 A d H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 3,-0.4 0.897 109.3 55.0 -72.2 -40.3 -3.2 16.0 25.5 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.855 102.8 58.9 -60.2 -34.4 -3.6 19.4 23.6 96 96 A K H X S+ 0 0 45 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.893 108.0 44.2 -62.1 -39.6 -7.0 19.7 25.3 97 97 A K H < S+ 0 0 98 -4,-1.0 3,-0.5 -3,-0.4 4,-0.3 0.921 114.2 50.8 -70.0 -44.5 -5.4 19.5 28.7 98 98 A I H >< S+ 0 0 6 -4,-2.4 3,-1.8 1,-0.2 5,-0.3 0.940 109.5 47.7 -58.2 -51.5 -2.7 21.9 27.7 99 99 A V H 3< S+ 0 0 2 -4,-3.0 5,-0.4 1,-0.3 3,-0.4 0.665 110.6 54.4 -67.3 -15.1 -5.0 24.6 26.3 100 100 A S T 3< S+ 0 0 32 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.435 81.3 95.2 -95.7 -0.9 -7.1 24.4 29.4 101 101 A D S < S- 0 0 110 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.547 107.8 -89.6 -69.7 -9.8 -4.1 25.0 31.7 102 102 A G S S+ 0 0 62 -3,-0.4 -3,-0.1 -4,-0.1 -1,-0.1 -0.028 113.9 66.8 130.7 -35.7 -4.7 28.7 31.9 103 103 A N S > S- 0 0 121 1,-0.3 3,-1.5 -5,-0.3 -3,-0.1 0.285 84.4-143.5-103.5 11.6 -2.9 30.5 29.1 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.4 1,-0.2 -1,-0.3 -0.281 67.2 -21.1 62.8-148.9 -5.0 29.2 26.2 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.1 7,-0.3 0.505 116.3 92.2 -74.0 -2.0 -3.1 28.5 23.0 106 106 A N G < + 0 0 50 -3,-1.5 -1,-0.3 1,-0.3 6,-0.2 0.727 67.9 78.4 -62.4 -18.7 -0.3 30.8 24.1 107 107 A A G < S+ 0 0 56 -3,-1.4 2,-1.0 1,-0.2 -1,-0.3 0.778 83.7 69.4 -60.1 -24.6 1.2 27.7 25.5 108 108 A W S X> S- 0 0 9 -3,-2.1 4,-1.9 1,-0.2 3,-0.8 -0.833 75.6-163.3 -96.7 99.7 2.2 27.0 21.9 109 109 A V H 3> S+ 0 0 82 -2,-1.0 4,-2.6 1,-0.3 5,-0.2 0.864 88.4 53.5 -51.5 -42.5 4.8 29.7 21.3 110 110 A A H 3> S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.837 105.3 54.9 -64.3 -32.5 4.6 29.3 17.5 111 111 A W H <>>S+ 0 0 11 -3,-0.8 5,-3.1 -6,-0.2 4,-2.5 0.948 111.1 44.2 -65.9 -45.9 0.8 29.8 17.7 112 112 A R H <5S+ 0 0 120 -4,-1.9 -2,-0.2 -7,-0.3 -1,-0.2 0.928 120.2 41.6 -62.6 -44.8 1.3 33.1 19.5 113 113 A N H <5S+ 0 0 97 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.754 132.8 17.5 -75.7 -25.4 4.0 34.2 17.2 114 114 A R H <5S+ 0 0 141 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.556 132.9 27.8-126.2 -9.9 2.6 33.0 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.5 3,-2.5 -5,-0.4 5,-0.2 0.710 84.5 104.0-119.6 -41.5 -1.2 32.4 14.2 116 116 A K T 3 + 0 0 107 1,-0.2 3,-1.3 -2,-0.1 4,-0.2 -0.501 58.4 163.6 -79.5 73.9 -6.7 35.3 9.4 120 120 A V G > + 0 0 16 -2,-2.3 3,-2.5 1,-0.3 4,-0.3 0.740 62.2 75.1 -65.1 -25.8 -6.7 31.7 10.8 121 121 A Q G > S+ 0 0 95 1,-0.3 3,-1.8 -3,-0.2 4,-0.5 0.810 83.0 73.0 -56.3 -26.9 -10.1 30.9 9.1 122 122 A A G X S+ 0 0 34 -3,-1.3 3,-0.9 1,-0.3 -1,-0.3 0.828 82.7 68.6 -58.3 -29.5 -7.9 30.8 6.0 123 123 A W G < S+ 0 0 57 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.649 108.9 32.3 -68.7 -13.7 -6.5 27.5 7.3 124 124 A I G X S+ 0 0 25 -3,-1.8 3,-1.9 -4,-0.3 -1,-0.2 0.272 86.7 135.7-122.6 9.5 -9.7 25.6 6.7 125 125 A R T < S+ 0 0 158 -3,-0.9 3,-0.1 -4,-0.5 -119,-0.1 -0.302 76.0 12.6 -59.3 137.4 -10.9 27.5 3.7 126 126 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -120,-0.0 -1,-0.3 0.319 94.9 136.8 78.2 -10.8 -12.3 25.3 0.9 127 127 A a < - 0 0 18 -3,-1.9 2,-1.3 1,-0.1 -1,-0.2 -0.556 59.8-128.5 -75.8 128.5 -12.3 22.3 3.3 128 128 A R 0 0 240 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.626 360.0 360.0 -75.5 97.7 -15.4 20.1 3.2 129 129 A L 0 0 100 -2,-1.3 -1,-0.2 -5,-0.1 -2,-0.0 0.671 360.0 360.0-122.6 360.0 -16.2 20.1 6.9