==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-99 1QTK . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.PRANGE,M.SCHILTZ,L.PERNOT,N.COLLOC'H,S.LONGHI,W.BOURGUET, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 26 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 27.9 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 0 1 1 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,-3.0 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 137.3 2.5 10.4 9.3 2 2 A V B -A 39 0A 102 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.864 360.0-150.6-104.9 107.7 2.4 13.6 7.3 3 3 A F - 0 0 15 35,-2.5 2,-0.2 -2,-0.8 3,-0.0 -0.427 8.5-128.6 -76.2 148.0 -1.1 15.0 7.2 4 4 A G > - 0 0 36 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.550 34.5-105.0 -81.1 163.1 -2.6 17.1 4.4 5 5 A R H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.944 116.3 36.3 -57.1 -58.1 -4.2 20.4 5.6 6 6 A a H > S+ 0 0 41 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.862 113.7 58.8 -70.4 -34.5 -7.9 19.4 5.2 7 7 A E H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.952 109.7 43.3 -54.5 -49.9 -7.3 15.9 6.3 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.915 111.8 54.1 -66.4 -41.4 -5.9 17.1 9.6 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.952 110.4 46.7 -52.7 -53.3 -8.7 19.7 9.9 10 10 A A H X S+ 0 0 43 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.934 112.3 50.2 -56.9 -45.8 -11.2 16.9 9.5 11 11 A A H X S+ 0 0 8 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.923 111.6 48.2 -61.6 -39.9 -9.4 14.7 12.0 12 12 A M H <>S+ 0 0 1 -4,-3.0 5,-2.5 2,-0.2 6,-0.4 0.895 111.0 50.2 -66.4 -41.7 -9.3 17.6 14.6 13 13 A K H ><5S+ 0 0 84 -4,-2.6 3,-2.6 -5,-0.2 -2,-0.2 0.972 108.7 52.0 -57.7 -53.6 -13.0 18.4 14.2 14 14 A R H 3<5S+ 0 0 185 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 108.8 52.8 -52.4 -34.9 -13.9 14.7 14.6 15 15 A H T 3<5S- 0 0 28 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.377 121.9-105.3 -91.2 10.5 -11.8 14.8 17.8 16 16 A G T < 5S+ 0 0 37 -3,-2.6 -3,-0.2 -4,-0.1 -2,-0.1 0.595 82.9 122.7 90.7 10.2 -13.6 17.8 19.2 17 17 A L > < + 0 0 0 -5,-2.5 3,-2.8 2,-0.1 2,-0.3 0.750 37.0 109.2 -80.5 -22.8 -11.1 20.6 18.7 18 18 A D T 3 S- 0 0 53 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.455 105.5 -10.3 -62.3 119.9 -13.2 22.9 16.6 19 19 A N T > S+ 0 0 93 4,-1.5 3,-2.5 -2,-0.3 -1,-0.3 0.606 90.7 168.9 63.0 21.0 -14.0 25.8 19.0 20 20 A Y B X S-B 23 0B 58 -3,-2.8 3,-2.1 3,-0.8 -1,-0.2 -0.494 79.0 -6.4 -65.3 125.3 -12.5 23.9 21.9 21 21 A R T 3 S- 0 0 141 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.789 136.1 -59.1 55.1 30.9 -12.2 26.4 24.7 22 22 A G T < S+ 0 0 61 -3,-2.5 2,-0.8 1,-0.2 -1,-0.3 0.569 103.7 132.5 77.4 11.6 -13.2 28.9 22.1 23 23 A Y B < -B 20 0B 48 -3,-2.1 -4,-1.5 -6,-0.2 -3,-0.8 -0.851 52.8-135.4 -97.9 113.3 -10.4 28.3 19.7 24 24 A S >> - 0 0 41 -2,-0.8 3,-2.1 -5,-0.3 4,-0.9 -0.177 25.9-100.0 -63.4 157.5 -11.8 27.8 16.2 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.838 118.1 63.1 -49.3 -36.8 -10.5 25.0 14.0 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.781 96.4 58.7 -71.7 -17.3 -8.3 27.1 12.0 27 27 A N H <> S+ 0 0 20 -3,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.857 107.8 47.1 -68.4 -40.5 -6.1 28.0 15.1 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.3 5,-0.2 0.887 113.7 46.4 -66.9 -41.1 -5.3 24.3 15.7 29 29 A V H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.952 113.2 49.4 -69.2 -45.7 -4.5 23.6 12.1 30 30 A b H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.897 111.6 49.8 -56.5 -44.4 -2.3 26.7 11.9 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.912 111.8 47.7 -62.4 -45.6 -0.5 25.6 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 6,-1.3 0.927 108.7 55.8 -60.3 -47.8 0.1 22.2 13.8 33 33 A K H X5S+ 0 0 61 -4,-3.0 4,-2.1 4,-0.2 -2,-0.2 0.961 117.7 31.9 -49.3 -54.2 1.4 23.6 10.5 34 34 A F H <5S+ 0 0 58 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.726 119.5 51.9 -85.1 -17.9 4.0 25.7 12.1 35 35 A E H <5S- 0 0 34 -4,-2.1 -1,-0.2 -5,-0.2 -3,-0.2 0.884 137.9 -5.8 -78.5 -42.1 4.8 23.5 15.1 36 36 A S H ><5S- 0 0 10 -4,-2.5 3,-1.6 19,-0.3 -2,-0.2 0.373 86.1-113.9-137.1 2.6 5.4 20.3 13.1 37 37 A N T 3< - 0 0 56 4,-3.1 3,-1.8 -2,-0.3 -1,-0.0 -0.583 24.8-109.0 -98.4 160.4 14.9 22.1 23.9 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.838 114.7 61.4 -55.5 -37.0 17.8 23.7 25.8 48 48 A D T 3 S- 0 0 86 1,-0.1 -1,-0.3 21,-0.0 3,-0.1 0.504 122.9-100.3 -77.4 3.9 16.5 22.6 29.1 49 49 A G S < S+ 0 0 28 -3,-1.8 -2,-0.1 1,-0.4 -1,-0.1 0.232 87.0 122.8 98.0 -16.7 16.9 19.0 28.2 50 50 A S - 0 0 1 -5,-0.1 -4,-3.1 19,-0.1 -1,-0.4 -0.221 50.0-144.1 -73.2 170.9 13.2 18.6 27.5 51 51 A T E -C 45 0C 1 -6,-0.3 9,-2.2 -3,-0.1 2,-0.4 -0.998 4.3-137.6-136.8 140.9 11.9 17.4 24.1 52 52 A D E -CD 44 59C 25 -8,-3.1 -8,-1.7 -2,-0.3 2,-0.4 -0.822 26.1-159.0-100.5 140.4 8.8 18.4 22.1 53 53 A Y E > -CD 43 58C 23 5,-2.1 5,-2.3 -2,-0.4 3,-0.4 -0.954 31.5 -17.3-132.4 130.3 6.8 15.6 20.4 54 54 A G T > 5S- 0 0 0 -12,-2.8 3,-1.7 -2,-0.4 30,-0.2 -0.146 98.0 -28.6 85.1-171.7 4.4 15.2 17.6 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.3 1,-0.3 -17,-0.3 0.779 141.1 34.5 -59.5 -27.7 2.1 17.3 15.5 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.325 106.0-124.4-115.4 15.3 1.6 19.8 18.3 57 57 A Q T < 5 - 0 0 11 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.922 34.8-166.1 52.1 53.4 5.1 19.6 19.7 58 58 A I E < -D 53 0C 2 -5,-2.3 -5,-2.1 -6,-0.1 2,-0.3 -0.537 17.7-117.6 -79.6 141.1 4.0 18.8 23.2 59 59 A N E >>> -D 52 0C 21 -2,-0.2 4,-2.1 -7,-0.2 3,-0.6 -0.542 7.1-146.3 -94.1 141.0 6.7 19.1 25.8 60 60 A S T 345S+ 0 0 0 -9,-2.2 6,-0.2 -2,-0.3 -1,-0.1 0.604 90.1 76.8 -76.7 -13.2 8.2 16.5 28.0 61 61 A R T 345S- 0 0 47 -10,-0.2 12,-3.5 11,-0.2 -1,-0.2 0.942 119.7 -1.1 -65.8 -41.0 8.8 18.9 30.8 62 62 A W T <45S+ 0 0 131 -3,-0.6 13,-3.6 10,-0.2 -2,-0.2 0.734 130.7 42.6-116.6 -29.5 5.1 18.8 31.9 63 63 A W T <5S+ 0 0 22 -4,-2.1 13,-1.8 11,-0.3 2,-0.3 0.724 106.1 22.0-106.9 -20.5 2.9 16.7 29.7 64 64 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.4 -1,-0.1 -0.981 66.6-116.1-147.9 158.0 4.4 13.4 28.8 65 65 A N B +e 79 0D 78 13,-2.8 15,-2.4 -2,-0.3 16,-0.4 -0.855 33.1 159.7-100.5 127.2 7.1 11.0 30.0 66 66 A D - 0 0 37 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.258 53.4-121.6-121.9 6.3 10.1 10.2 27.8 67 67 A G S S+ 0 0 63 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.506 98.6 73.1 65.5 12.5 12.3 8.9 30.6 68 68 A R + 0 0 114 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.150 66.0 89.9-140.8 20.8 15.0 11.5 30.0 69 69 A T S > S- 0 0 6 -9,-0.1 3,-2.3 3,-0.0 -2,-0.1 -0.777 74.1-142.2-122.6 84.7 13.5 14.8 31.3 70 70 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -20,-0.0 -0.193 80.0 5.5 -54.6 119.6 14.7 14.7 34.9 71 71 A G T 3 S+ 0 0 83 1,-0.2 2,-0.1 -2,-0.0 -10,-0.0 0.602 95.7 147.8 85.8 10.1 12.1 16.1 37.3 72 72 A S < - 0 0 30 -3,-2.3 -1,-0.2 1,-0.1 2,-0.2 -0.300 42.8-129.5 -74.7 158.0 9.5 16.4 34.6 73 73 A R - 0 0 156 -12,-3.5 -9,-0.4 -3,-0.1 2,-0.1 -0.696 2.1-148.5-101.8 167.1 5.8 16.0 35.2 74 74 A N > + 0 0 49 -2,-0.2 3,-1.5 -11,-0.2 -11,-0.3 -0.589 29.2 162.6-130.4 63.3 3.5 13.8 33.1 75 75 A L T 3 S+ 0 0 52 -13,-3.6 -12,-0.2 1,-0.3 -11,-0.1 0.714 76.6 48.4 -65.4 -20.6 0.3 15.7 33.2 76 76 A d T 3 S- 0 0 22 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.508 105.9-131.8 -96.8 -1.1 -1.2 13.9 30.3 77 77 A N < + 0 0 135 -3,-1.5 -2,-0.1 1,-0.2 -13,-0.1 0.986 63.5 111.1 56.6 62.1 -0.2 10.6 31.8 78 78 A I S S- 0 0 45 -15,-0.3 -13,-2.8 16,-0.0 2,-0.2 -0.995 74.4 -98.1-162.6 150.2 1.3 9.2 28.7 79 79 A P B >> -e 65 0D 73 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.568 35.5-128.0 -68.3 135.4 4.5 8.2 27.1 80 80 A c G >4 S+ 0 0 1 -15,-2.4 3,-1.3 1,-0.3 -14,-0.1 0.816 108.2 68.2 -55.0 -28.1 5.8 10.9 24.8 81 81 A S G >4 S+ 0 0 84 -16,-0.4 3,-2.5 1,-0.3 4,-0.4 0.866 86.3 66.2 -61.3 -33.5 6.0 8.3 22.1 82 82 A A G X4 S+ 0 0 30 -3,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.834 93.0 63.7 -53.2 -32.0 2.2 8.0 22.1 83 83 A L G << S+ 0 0 2 -3,-1.3 -28,-0.6 -4,-0.6 -1,-0.3 0.497 94.4 59.6 -71.6 -5.6 2.3 11.6 20.7 84 84 A L G < S+ 0 0 41 -3,-2.5 -1,-0.2 -30,-0.2 -2,-0.2 0.488 78.8 120.1-104.1 -5.4 4.1 10.5 17.6 85 85 A S S < S- 0 0 54 -3,-1.2 6,-0.1 -4,-0.4 -3,-0.0 -0.039 72.4-125.7 -56.5 155.6 1.4 8.1 16.4 86 86 A S S S+ 0 0 72 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.648 100.8 78.6 -79.1 -12.2 -0.4 8.5 13.1 87 87 A D S > S- 0 0 84 1,-0.1 3,-0.7 -47,-0.0 4,-0.3 -0.874 74.7-158.4 -90.5 112.1 -3.6 8.5 15.2 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.8 1,-0.2 3,-0.5 0.457 62.4 106.3 -78.3 2.4 -3.7 12.0 16.6 89 89 A T H 3> S+ 0 0 42 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.877 79.2 46.3 -49.3 -51.7 -6.0 11.0 19.5 90 90 A A H <> S+ 0 0 21 -3,-0.7 4,-2.1 -8,-0.3 -1,-0.3 0.852 113.6 48.7 -64.0 -34.3 -3.4 11.1 22.2 91 91 A S H > S+ 0 0 5 -3,-0.5 4,-3.0 -4,-0.3 -1,-0.2 0.926 113.0 48.0 -71.1 -41.9 -2.1 14.5 21.0 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.929 111.2 49.5 -62.2 -46.8 -5.5 15.9 20.9 93 93 A N H X S+ 0 0 84 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.945 115.6 43.7 -58.9 -46.0 -6.5 14.7 24.3 94 94 A d H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.905 109.8 56.4 -65.9 -40.3 -3.3 16.1 25.8 95 95 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.861 102.2 56.8 -59.7 -36.7 -3.7 19.4 23.8 96 96 A K H X S+ 0 0 41 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.912 107.7 47.5 -64.5 -38.4 -7.1 19.9 25.4 97 97 A K H X S+ 0 0 109 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.867 112.4 50.5 -67.7 -36.1 -5.6 19.7 28.8 98 98 A I H >X S+ 0 0 5 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.976 111.3 45.2 -69.2 -46.5 -2.9 22.1 27.9 99 99 A V H 3< S+ 0 0 6 -4,-2.9 5,-0.4 1,-0.3 -1,-0.2 0.686 111.8 54.6 -70.7 -14.8 -5.1 24.8 26.4 100 100 A S H 3< S+ 0 0 43 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.739 87.3 87.9 -83.5 -19.2 -7.4 24.4 29.4 101 101 A D H << S- 0 0 114 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.1 0.875 108.9 -87.0 -45.8 -56.2 -4.4 25.1 31.7 102 102 A G S < S+ 0 0 69 -4,-0.5 3,-0.1 2,-0.1 -1,-0.1 0.185 115.1 59.2 167.6 -43.8 -4.6 28.8 31.9 103 103 A N S > S- 0 0 78 1,-0.3 3,-1.8 -5,-0.2 4,-0.2 0.159 85.3-149.4 -98.9 25.7 -2.8 30.6 29.1 104 104 A G G > - 0 0 9 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.115 67.1 -14.8 51.8-138.4 -4.8 28.9 26.3 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 7,-0.3 0.548 113.3 92.7 -79.6 -2.4 -3.0 28.5 23.0 106 106 A N G < + 0 0 37 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.730 69.6 78.3 -60.1 -16.0 -0.3 30.9 24.1 107 107 A A G < S+ 0 0 46 -3,-1.2 2,-0.9 -4,-0.2 -1,-0.3 0.729 82.2 72.6 -63.3 -21.5 1.4 27.7 25.3 108 108 A W S <> S- 0 0 8 -3,-2.3 4,-2.7 1,-0.2 3,-0.5 -0.816 71.4-163.6-102.1 102.0 2.3 27.1 21.7 109 109 A V H > S+ 0 0 75 -2,-0.9 4,-2.7 1,-0.3 5,-0.2 0.886 90.4 50.6 -50.9 -47.2 5.0 29.6 20.8 110 110 A A H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.888 108.8 55.0 -63.2 -33.2 4.5 29.1 17.1 111 111 A W H >>S+ 0 0 11 -3,-0.5 5,-2.6 1,-0.2 4,-2.1 0.958 112.2 39.5 -66.6 -47.9 0.8 29.7 17.6 112 112 A R H <5S+ 0 0 107 -4,-2.7 -1,-0.2 -7,-0.3 -2,-0.2 0.899 121.7 44.2 -75.3 -24.2 1.2 33.0 19.3 113 113 A N H <5S+ 0 0 111 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.773 131.8 16.2 -83.0 -21.3 4.0 34.1 17.0 114 114 A R H <5S+ 0 0 139 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.507 132.1 30.1-131.1 -6.5 2.5 33.0 13.7 115 115 A b T ><5S+ 0 0 0 -4,-2.1 3,-2.2 -5,-0.4 5,-0.2 0.663 87.6 97.2-121.2 -45.0 -1.2 32.3 14.0 116 116 A K T 3 + 0 0 76 1,-0.2 3,-1.7 -2,-0.2 4,-0.2 -0.485 52.7 168.8 -81.4 81.1 -6.8 35.1 9.5 120 120 A V G > + 0 0 15 -2,-2.2 3,-2.1 1,-0.3 4,-0.3 0.753 62.0 79.5 -74.3 -13.3 -6.7 31.6 10.7 121 121 A Q G >> S+ 0 0 113 1,-0.3 3,-1.7 -3,-0.2 4,-0.7 0.784 79.0 74.1 -58.5 -24.6 -9.9 30.7 9.0 122 122 A A G <4 S+ 0 0 35 -3,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.755 82.0 68.4 -63.5 -22.0 -7.7 30.4 5.9 123 123 A W G <4 S+ 0 0 58 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.686 111.2 30.6 -73.8 -14.5 -6.3 27.1 7.1 124 124 A I T X4 S+ 0 0 41 -3,-1.7 3,-2.1 -4,-0.3 -1,-0.2 0.432 87.1 120.4-115.9 -1.8 -9.6 25.3 6.7 125 125 A R T 3< S+ 0 0 131 -4,-0.7 3,-0.1 -3,-0.3 -119,-0.1 -0.427 81.3 25.9 -68.7 130.1 -10.9 27.3 3.7 126 126 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.094 94.7 122.3 104.8 -32.4 -11.4 24.8 1.0 127 127 A a < - 0 0 20 -3,-2.1 2,-1.1 1,-0.1 -1,-0.3 -0.422 66.5-123.1 -80.3 141.5 -11.9 21.7 3.2 128 128 A R 0 0 232 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.721 360.0 360.0 -78.2 102.7 -14.9 19.4 3.2 129 129 A L 0 0 91 -2,-1.1 -119,-0.0 -5,-0.1 -3,-0.0 -0.977 360.0 360.0-125.2 360.0 -15.8 19.7 6.9