==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JAN-11 3ATN . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.ITO,K.SHIRAKI,K.HASEGAWA,T.KUMASAKA . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6635.0 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 . 29 22.5 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 80 0, 0.0 39,-2.8 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 132.3 0.9 9.5 -9.6 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.898 360.0-149.3 -97.7 109.7 1.1 12.9 -11.4 3 3 A F - 0 0 12 35,-2.8 2,-0.2 -2,-0.8 3,-0.0 -0.472 10.0-122.4 -73.6 146.3 -2.4 14.2 -11.3 4 4 A G > - 0 0 36 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.484 32.7-108.3 -72.8 161.1 -3.8 16.5 -14.0 5 5 A R H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.952 118.6 37.3 -58.3 -55.1 -5.1 19.8 -12.8 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 113.5 58.9 -68.7 -33.1 -8.8 19.1 -13.2 7 7 A E H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 109.7 43.2 -58.9 -45.5 -8.3 15.5 -12.1 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.912 110.9 55.1 -68.9 -41.8 -6.9 16.7 -8.8 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.930 108.9 48.6 -55.6 -45.1 -9.6 19.3 -8.4 10 10 A A H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.903 113.1 46.2 -64.0 -40.0 -12.3 16.6 -8.8 11 11 A A H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.908 113.3 49.0 -70.5 -42.0 -10.6 14.3 -6.2 12 12 A M H <>S+ 0 0 1 -4,-3.0 5,-2.3 1,-0.2 6,-0.3 0.923 112.8 48.6 -62.9 -41.3 -10.1 17.2 -3.7 13 13 A K H ><5S+ 0 0 75 -4,-2.6 3,-2.1 -5,-0.3 -2,-0.2 0.932 108.8 52.0 -63.7 -45.7 -13.7 18.2 -4.2 14 14 A R H 3<5S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.895 107.4 54.1 -59.5 -36.5 -15.0 14.7 -3.7 15 15 A H T 3<5S- 0 0 30 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.304 122.4-105.6 -80.6 6.0 -13.0 14.5 -0.5 16 16 A G T < 5S+ 0 0 31 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.678 80.4 128.6 83.9 21.0 -14.7 17.6 0.9 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.6 2,-0.1 2,-0.3 0.750 39.4 108.2 -79.0 -21.8 -11.9 20.2 0.6 18 18 A D T 3 S- 0 0 67 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.385 104.3 -9.9 -60.3 113.6 -14.1 22.7 -1.3 19 19 A N T > S+ 0 0 106 4,-1.6 3,-2.1 -2,-0.3 2,-0.3 0.642 89.9 163.8 68.2 15.7 -14.7 25.4 1.2 20 20 A Y B X S-B 23 0B 72 -3,-2.6 3,-2.0 3,-0.7 -1,-0.2 -0.534 80.6 -5.1 -66.7 126.4 -13.1 23.4 4.0 21 21 A R T 3 S- 0 0 154 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.726 135.5 -61.0 54.3 24.2 -12.4 25.9 6.8 22 22 A G T < S+ 0 0 52 -3,-2.1 2,-0.7 1,-0.2 -1,-0.3 0.518 103.2 133.3 87.4 7.9 -13.5 28.5 4.3 23 23 A Y B < -B 20 0B 46 -3,-2.0 -4,-1.6 -6,-0.2 -3,-0.7 -0.817 51.3-133.4 -99.4 116.7 -10.9 27.8 1.6 24 24 A S >> - 0 0 46 -2,-0.7 3,-1.6 -6,-0.2 4,-1.0 -0.206 27.2-102.3 -64.7 160.0 -12.3 27.4 -1.9 25 25 A L H 3> S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.815 118.4 61.8 -53.2 -40.3 -11.2 24.5 -4.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.815 97.8 58.3 -60.3 -31.9 -8.8 26.7 -6.2 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.897 108.7 45.2 -58.0 -44.3 -6.8 27.5 -3.0 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.5 -2,-0.2 0.874 113.8 48.1 -69.2 -42.6 -6.1 23.7 -2.6 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.929 112.5 49.5 -63.7 -44.6 -5.3 23.1 -6.2 30 30 A b H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.935 110.6 50.5 -58.0 -46.1 -2.9 26.1 -6.2 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.938 111.3 48.0 -60.1 -45.9 -1.2 24.9 -3.1 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-1.2 0.890 108.3 55.9 -63.0 -38.5 -0.8 21.4 -4.6 33 33 A K H X5S+ 0 0 65 -4,-2.5 4,-1.6 4,-0.2 -1,-0.2 0.956 116.5 34.2 -55.8 -50.7 0.6 22.9 -7.8 34 34 A F H <5S+ 0 0 61 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.742 120.7 49.3 -83.5 -20.9 3.4 24.8 -6.0 35 35 A E H <5S- 0 0 33 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.920 137.9 -5.7 -78.3 -45.5 4.0 22.3 -3.3 36 36 A S H ><5S- 0 0 9 -4,-2.6 3,-1.6 19,-0.4 -3,-0.2 0.363 83.4-116.1-132.0 -4.1 4.3 19.1 -5.4 37 37 A N T 3< - 0 0 48 4,-3.2 3,-2.1 -2,-0.2 -1,-0.0 -0.731 24.0-111.2 -99.0 162.8 13.6 20.7 5.1 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.802 115.7 61.9 -63.3 -31.2 16.5 22.5 6.8 48 48 A D T 3 S- 0 0 87 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.465 121.5-105.1 -73.6 -4.0 15.3 21.4 10.2 49 49 A G S < S+ 0 0 21 -3,-2.1 -2,-0.1 1,-0.4 -1,-0.1 0.249 86.3 117.3 96.4 -11.8 15.7 17.8 9.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.310 55.8-138.3 -74.0 173.7 12.0 17.1 8.8 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.5 -3,-0.1 2,-0.4 -0.976 2.8-134.4-135.3 146.6 10.7 16.1 5.3 52 52 A D E -CD 44 59C 25 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.4 -0.863 27.0-159.7-100.8 140.6 7.6 17.1 3.4 53 53 A Y E > -CD 43 58C 23 5,-2.2 5,-2.2 -2,-0.4 3,-0.4 -0.952 30.7 -18.7-129.6 134.0 5.6 14.4 1.8 54 54 A G T > 5S- 0 0 0 -12,-2.6 3,-1.7 -2,-0.4 30,-0.2 -0.164 99.1 -23.2 86.5-169.8 3.1 14.0 -1.0 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.693 141.6 30.6 -57.9 -27.0 0.6 16.1 -3.0 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.182 106.7-119.9-121.2 16.3 0.4 18.8 -0.2 57 57 A Q T < 5 - 0 0 9 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.909 37.2-164.0 47.6 55.3 3.9 18.4 1.2 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.2 -6,-0.1 2,-0.3 -0.538 16.0-120.6 -78.4 137.8 2.9 17.5 4.7 59 59 A N E >> -D 52 0C 25 -2,-0.3 4,-2.3 -7,-0.2 3,-1.0 -0.631 8.9-147.6 -99.6 134.4 5.6 17.8 7.2 60 60 A S T 34 S+ 0 0 0 -9,-2.5 6,-0.2 -2,-0.3 9,-0.1 0.548 89.0 78.7 -73.6 -7.8 7.1 15.1 9.5 61 61 A R T 34 S- 0 0 125 -10,-0.2 12,-2.3 11,-0.2 -1,-0.2 0.879 121.8 -4.1 -65.1 -38.1 7.8 17.6 12.3 62 62 A W T <4 S+ 0 0 103 -3,-1.0 13,-2.9 10,-0.2 -2,-0.2 0.672 132.3 44.8-121.3 -32.8 4.2 17.5 13.4 63 63 A W S < S+ 0 0 26 -4,-2.3 13,-2.1 11,-0.3 15,-0.3 0.760 103.9 19.2-108.8 -29.7 2.0 15.5 11.1 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 -1,-0.1 -0.942 69.1-111.5-140.3 162.2 3.3 12.1 10.1 65 65 A N B +e 79 0D 76 13,-2.6 15,-2.6 -2,-0.3 16,-0.4 -0.863 36.7 156.7 -99.8 124.7 5.9 9.6 11.2 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 -6,-0.2 8,-0.0 0.345 51.5-125.6-118.4 2.6 9.0 9.0 9.1 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.421 95.9 74.3 69.3 2.6 11.3 7.6 11.9 68 68 A R + 0 0 122 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.109 65.8 91.3-134.6 25.5 14.0 10.2 11.2 69 69 A T S > S- 0 0 14 -9,-0.1 3,-1.9 3,-0.0 -2,-0.1 -0.778 70.7-142.3-122.6 87.4 12.6 13.5 12.6 70 70 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.198 79.6 7.6 -59.3 134.1 13.8 13.8 16.2 71 71 A G T 3 S+ 0 0 89 1,-0.3 2,-0.1 0, 0.0 -10,-0.0 0.465 99.6 134.7 83.0 1.8 11.4 15.3 18.7 72 72 A S < - 0 0 32 -3,-1.9 -1,-0.3 1,-0.1 -10,-0.2 -0.294 45.4-137.4 -81.5 167.4 8.6 15.3 16.1 73 73 A R - 0 0 146 -12,-2.3 -9,-0.4 -3,-0.1 2,-0.1 -0.612 7.0-140.6-115.7 178.2 5.0 14.3 16.5 74 74 A N > + 0 0 53 -2,-0.2 3,-1.5 -11,-0.2 -11,-0.3 -0.617 31.8 162.4-138.9 66.7 2.6 12.2 14.3 75 75 A L T 3 S+ 0 0 59 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.733 75.1 53.2 -73.7 -19.0 -0.7 14.1 14.7 76 76 A d T 3 S- 0 0 11 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.505 105.0-132.1 -88.2 -2.6 -2.3 12.6 11.7 77 77 A N < + 0 0 125 -3,-1.5 -13,-0.1 1,-0.2 -2,-0.1 0.923 65.1 112.4 57.3 49.4 -1.4 9.1 13.0 78 78 A I S S- 0 0 29 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.997 73.8-104.4-147.6 149.4 0.1 7.9 9.8 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.569 35.7-124.3 -68.1 141.8 3.4 6.8 8.3 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-1.9 1,-0.3 -14,-0.1 0.829 109.1 68.9 -59.2 -30.5 4.6 9.6 6.0 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.801 87.3 67.1 -58.2 -29.2 4.9 7.1 3.2 82 82 A A G X S+ 0 0 32 -3,-1.9 3,-0.8 1,-0.3 9,-0.3 0.745 90.3 64.4 -63.1 -18.6 1.0 6.9 3.2 83 83 A L G < S+ 0 0 1 -3,-1.9 -28,-0.6 -4,-0.4 -1,-0.3 0.439 93.7 61.4 -82.2 -1.5 1.1 10.5 2.0 84 84 A L G < S+ 0 0 42 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.442 78.5 121.7-103.4 0.4 2.8 9.3 -1.3 85 85 A S S < S- 0 0 57 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.219 73.2-123.2 -62.9 150.3 -0.0 7.1 -2.4 86 86 A S S S+ 0 0 71 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.854 102.8 74.4 -53.1 -36.3 -1.9 7.4 -5.7 87 87 A D S > S- 0 0 94 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.727 74.1-158.1 -87.3 121.0 -5.0 7.7 -3.6 88 88 A I T 3> + 0 0 5 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.382 61.3 107.3 -83.8 4.9 -5.0 11.1 -1.9 89 89 A T H 3> S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 80.5 45.3 -50.1 -50.4 -7.3 10.2 1.0 90 90 A A H <> S+ 0 0 24 -3,-0.5 4,-2.4 -8,-0.3 -1,-0.2 0.915 113.1 50.5 -65.0 -43.0 -4.7 10.2 3.7 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.8 -9,-0.3 -1,-0.2 0.911 112.8 46.6 -59.0 -44.4 -3.2 13.5 2.5 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.945 111.4 50.2 -65.6 -43.5 -6.6 15.1 2.5 93 93 A N H X S+ 0 0 76 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.902 115.1 44.6 -60.2 -42.1 -7.6 13.8 5.9 94 94 A d H >X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 3,-0.5 0.919 109.2 55.2 -68.4 -43.0 -4.3 15.1 7.3 95 95 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 5,-0.2 0.858 102.1 59.1 -56.4 -37.5 -4.6 18.5 5.4 96 96 A K H 3X S+ 0 0 45 -4,-2.3 4,-0.6 1,-0.2 -1,-0.3 0.884 107.9 45.5 -59.3 -40.7 -7.9 19.0 7.1 97 97 A K H X< S+ 0 0 92 -4,-1.1 3,-0.7 -3,-0.5 4,-0.3 0.927 112.9 50.3 -68.5 -42.6 -6.2 18.7 10.5 98 98 A I H >< S+ 0 0 8 -4,-2.5 3,-1.9 1,-0.2 5,-0.3 0.927 109.1 49.2 -60.2 -46.8 -3.4 21.0 9.5 99 99 A V H 3< S+ 0 0 1 -4,-2.8 5,-0.4 1,-0.3 3,-0.3 0.654 109.7 55.4 -72.3 -11.0 -5.7 23.8 8.1 100 100 A S T << S+ 0 0 45 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.394 81.0 93.2 -92.0 -0.7 -7.6 23.5 11.4 101 101 A D S < S- 0 0 118 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 0.647 108.4 -86.9 -79.5 -13.0 -4.5 24.1 13.6 102 102 A G S S+ 0 0 62 -3,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 -0.048 115.2 63.9 140.9 -31.7 -5.0 27.9 13.9 103 103 A N S > S- 0 0 128 1,-0.3 3,-1.8 -5,-0.3 4,-0.1 0.258 83.3-147.0-107.7 14.7 -3.3 29.7 10.9 104 104 A G G > S- 0 0 11 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.269 70.1 -14.1 56.9-141.7 -5.4 28.3 8.2 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.3 0.568 115.2 90.2 -75.1 -5.5 -3.6 27.7 4.9 106 106 A N G < + 0 0 48 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.702 68.8 80.5 -60.3 -17.5 -0.6 29.8 6.0 107 107 A A G < S+ 0 0 56 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.777 83.5 66.5 -56.5 -30.2 0.7 26.5 7.3 108 108 A W S <> S- 0 0 9 -3,-2.2 4,-2.3 1,-0.2 3,-0.5 -0.862 75.3-162.5 -93.6 104.6 1.7 25.9 3.7 109 109 A V H > S+ 0 0 84 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.879 90.0 55.3 -56.2 -40.4 4.4 28.5 3.1 110 110 A A H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 5,-0.5 0.839 106.1 51.7 -63.4 -37.1 4.1 28.1 -0.7 111 111 A W H >>S+ 0 0 11 -3,-0.5 5,-2.9 -6,-0.2 4,-2.4 0.960 112.3 46.0 -59.6 -49.4 0.3 28.8 -0.4 112 112 A R H <5S+ 0 0 114 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.930 120.7 38.2 -59.1 -45.2 1.1 32.0 1.5 113 113 A N H <5S+ 0 0 103 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.716 133.1 19.1 -81.9 -20.0 3.8 33.1 -0.9 114 114 A R H <5S+ 0 0 139 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.574 131.3 27.7-128.7 -17.8 2.3 32.0 -4.2 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.5 -3,-0.2 0.737 84.1 103.3-117.1 -41.0 -1.5 31.5 -3.9 116 116 A K T 3 + 0 0 98 1,-0.2 3,-1.5 -3,-0.1 4,-0.3 -0.466 56.5 168.1 -77.7 72.8 -6.9 34.7 -8.6 120 120 A V G > + 0 0 15 -2,-2.3 3,-1.7 1,-0.3 4,-0.3 0.739 62.4 76.1 -67.4 -21.1 -7.1 31.1 -7.3 121 121 A Q G > S+ 0 0 92 1,-0.3 3,-2.3 -3,-0.2 4,-0.4 0.839 79.9 73.5 -55.1 -31.9 -10.3 30.3 -9.2 122 122 A A G X S+ 0 0 34 -3,-1.5 3,-1.3 1,-0.3 -1,-0.3 0.814 84.1 67.5 -50.5 -32.0 -8.1 30.1 -12.3 123 123 A W G < S+ 0 0 53 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.704 105.7 39.6 -68.5 -15.8 -6.9 26.7 -11.0 124 124 A I G X S+ 0 0 38 -3,-2.3 3,-1.6 -4,-0.3 -1,-0.3 0.308 85.2 131.0-112.8 11.3 -10.3 25.2 -11.5 125 125 A R T < S+ 0 0 119 -3,-1.3 3,-0.1 -4,-0.4 -119,-0.1 -0.325 75.5 13.7 -66.3 139.2 -11.1 26.9 -14.8 126 126 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -2,-0.0 2,-0.2 0.220 94.4 132.6 84.8 -15.7 -12.3 24.5 -17.5 127 127 A a < - 0 0 21 -3,-1.6 2,-0.9 1,-0.1 -1,-0.3 -0.500 56.6-138.2 -80.3 140.1 -12.9 21.7 -15.1 128 128 A R 0 0 237 -2,-0.2 -1,-0.1 -3,-0.1 -118,-0.0 -0.872 360.0 360.0 -94.2 103.3 -16.1 19.8 -15.1 129 129 A L 0 0 88 -2,-0.9 -119,-0.1 -5,-0.1 -3,-0.0 -0.812 360.0 360.0-130.7 360.0 -16.7 19.6 -11.4