==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-08 3F9L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.M MOOERS,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 0 1 2 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 M 0 0 79 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 146.1 42.8 -1.9 9.0 2 2 A N > - 0 0 68 95,-0.0 4,-2.5 1,-0.0 5,-0.2 -0.873 360.0 -83.8-150.3 175.0 39.7 -0.9 10.8 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.856 125.2 51.6 -60.4 -36.3 37.6 2.3 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 112.7 44.3 -64.8 -49.8 39.8 3.6 14.1 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.899 114.3 51.9 -62.1 -38.3 43.0 3.2 12.1 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.960 113.5 41.4 -62.9 -51.8 41.4 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.863 109.2 59.9 -71.3 -29.7 40.1 7.8 10.8 8 8 A R H X S+ 0 0 106 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.903 108.3 45.9 -61.9 -40.1 43.4 8.1 12.8 9 9 A I H < S+ 0 0 83 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.944 117.5 42.9 -65.3 -45.2 45.2 8.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.789 124.0 34.0 -74.2 -28.3 42.7 11.0 8.1 11 11 A E H < S- 0 0 38 -4,-2.6 19,-0.5 1,-0.2 -1,-0.2 0.620 91.9-150.6-102.6 -24.1 42.3 13.1 11.2 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.175 21.6 -91.0 78.8-177.3 45.8 13.0 12.8 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.944 45.4 164.1-141.1 116.2 46.5 13.3 16.5 14 14 A R E -A 28 0A 144 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -0.999 23.1-160.9-133.8 128.7 47.1 16.7 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.513 74.1 64.5 -93.9 -2.6 47.0 17.3 21.9 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.854 100.9 -88.6-114.3 145.5 46.6 21.2 21.9 17 17 A I E + 0 0 31 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.325 58.1 168.9 -51.2 134.7 43.5 23.0 20.5 18 18 A Y E -A 26 0A 30 8,-2.7 8,-2.8 6,-0.1 2,-0.5 -0.907 37.6 -98.8-141.9 170.4 44.1 23.6 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.836 35.8-140.6 -98.6 123.3 42.0 24.8 13.8 20 20 A D > - 0 0 43 4,-2.8 3,-2.2 -2,-0.5 -1,-0.1 0.088 42.1 -78.8 -69.2-172.5 40.7 22.1 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.726 134.1 51.5 -65.1 -21.7 40.5 22.4 7.6 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.271 122.8-104.1 -93.3 4.0 37.4 24.5 7.9 23 23 A G S < S+ 0 0 39 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.574 76.6 139.0 84.5 10.9 39.0 26.9 10.5 24 24 A Y - 0 0 69 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.738 61.5-102.6 -98.5 137.5 37.1 25.4 13.4 25 25 A Y E +A 19 0A 36 11,-0.4 8,-2.7 9,-0.4 9,-1.3 -0.364 53.9 162.0 -62.8 131.5 38.7 24.7 16.9 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.7 6,-0.3 2,-0.3 -0.870 18.6-168.3-143.7 160.8 39.4 21.0 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 2,-0.2 -0.974 51.4 3.8-151.0 164.8 41.5 18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.8 -0.438 122.8 -7.8 73.0-130.2 42.7 15.1 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.739 129.5 -50.8-105.8 73.9 41.7 12.9 16.6 30 30 A G T 4 S+ 0 0 11 -2,-0.8 2,-1.1 -19,-0.5 -2,-0.2 0.801 82.7 163.5 64.8 31.7 39.4 15.2 14.8 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.7 -20,-0.1 2,-0.3 -0.704 31.1-144.3 -82.7 103.8 37.2 16.1 17.8 32 32 A L E -B 26 0A 77 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.520 18.0-175.1 -66.1 126.9 35.4 19.3 16.7 33 33 A L - 0 0 11 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.881 57.2 -35.5 -90.4 -46.6 35.0 21.6 19.7 34 34 A T - 0 0 31 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.942 34.3-129.8-170.4 156.7 32.8 24.4 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.424 75.2 115.0 -94.5 -3.2 32.2 26.4 15.2 36 36 A S - 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.358 69.7-136.6 -63.3 139.1 32.4 29.6 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.487 77.3 104.2 -74.9 0.1 35.4 31.9 16.4 38 38 A S > - 0 0 49 1,-0.2 4,-2.0 -13,-0.0 5,-0.2 -0.695 58.0-161.6 -88.7 119.0 36.0 32.3 20.2 39 39 A L H > S+ 0 0 65 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.910 95.0 58.0 -61.7 -34.7 38.9 30.3 21.7 40 40 A N H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 104.8 49.9 -63.0 -39.0 37.3 30.8 25.1 41 41 A A H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 110.9 49.5 -63.9 -39.9 34.2 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.911 109.3 51.9 -64.7 -40.9 36.3 26.2 22.5 43 43 A K H X S+ 0 0 57 -4,-2.8 4,-2.4 2,-0.2 11,-0.3 0.878 109.0 50.8 -62.2 -38.2 38.1 25.9 25.8 44 44 A S H X S+ 0 0 69 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.934 109.4 49.7 -66.1 -45.2 34.8 25.7 27.6 45 45 A E H X S+ 0 0 68 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 111.1 51.4 -55.7 -44.0 33.6 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.944 108.9 48.3 -60.3 -49.3 36.9 21.1 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 5,-0.9 0.903 112.9 49.2 -62.2 -37.4 36.7 21.2 29.7 48 48 A K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.894 111.7 49.6 -61.9 -45.3 33.0 20.0 29.5 49 49 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.859 121.0 33.3 -65.8 -36.9 34.0 17.2 27.2 50 50 A I H <5S- 0 0 37 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.712 102.9-125.4 -93.5 -27.0 36.9 16.0 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.729 78.5 70.9 83.2 25.6 35.4 16.8 32.8 52 52 A R S - 0 0 8 -2,-1.0 3,-1.4 -11,-0.3 -1,-0.2 0.575 31.3-142.5 -86.7 -17.6 42.3 21.4 30.6 55 55 A N T 3 S- 0 0 129 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.831 73.6 -53.7 43.2 43.9 43.5 24.9 29.6 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.571 119.8 98.7 81.0 8.6 43.4 23.8 25.9 57 57 A V B < +C 16 0B 52 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.992 43.7 176.1-135.1 132.1 45.6 20.7 26.4 58 58 A I - 0 0 5 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.839 28.0-109.5-128.9 171.5 44.7 17.0 26.8 59 59 A T > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.522 32.9-109.0 -94.0 166.8 46.5 13.7 27.1 60 60 A K H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 120.6 54.0 -61.8 -41.8 46.6 11.0 24.4 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 109.7 48.5 -60.3 -41.1 44.4 8.7 26.5 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.903 110.5 50.7 -63.1 -42.4 41.9 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.918 110.3 49.5 -56.3 -45.8 42.2 12.1 23.0 64 64 A E H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.860 108.2 54.7 -65.9 -33.7 41.5 8.4 22.4 65 65 A K H X S+ 0 0 135 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.955 109.1 45.9 -66.0 -47.3 38.5 8.5 24.7 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.906 112.0 54.0 -59.4 -38.8 36.9 11.3 22.8 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.928 106.2 50.3 -62.5 -46.5 37.7 9.4 19.6 68 68 A N H X S+ 0 0 91 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.924 113.7 46.9 -56.4 -45.8 36.0 6.3 20.8 69 69 A Q H X S+ 0 0 101 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.925 112.8 48.5 -61.8 -40.7 32.9 8.4 21.6 70 70 A D H X S+ 0 0 34 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.865 110.2 50.0 -71.9 -37.3 32.9 10.2 18.3 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.944 112.8 48.0 -63.9 -47.5 33.3 7.0 16.2 72 72 A A H X S+ 0 0 47 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.906 109.6 53.1 -57.8 -41.7 30.4 5.5 18.1 73 73 A A H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.885 107.3 51.6 -63.8 -36.3 28.3 8.7 17.6 74 74 A A H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.933 112.9 44.6 -64.1 -46.2 28.9 8.5 13.9 75 75 A V H X S+ 0 0 36 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.946 114.0 49.4 -65.0 -45.5 27.7 4.9 13.7 76 76 A R H X S+ 0 0 117 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.899 108.9 54.7 -53.4 -45.4 24.7 5.7 16.0 77 77 A G H X S+ 0 0 13 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.877 108.3 47.5 -58.1 -45.8 23.9 8.6 13.8 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.4 0.946 111.2 49.9 -60.0 -48.4 23.8 6.5 10.7 79 79 A L H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 112.2 48.2 -67.2 -27.0 21.6 3.8 12.3 80 80 A R H 3< S+ 0 0 201 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.458 93.9 92.1 -90.9 -4.2 19.1 6.4 13.5 81 81 A N S+ 0 0 123 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.852 120.0 40.6 -88.8 -33.0 18.3 7.8 4.6 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.9 -6,-0.2 5,-0.2 0.858 101.4 67.1 -84.3 -35.0 21.6 6.5 5.9 85 85 A K H X S+ 0 0 79 -4,-2.7 4,-2.9 -7,-0.4 5,-0.2 0.912 99.9 49.0 -58.2 -48.5 20.6 3.3 7.6 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.912 113.8 46.9 -61.6 -37.3 19.4 1.4 4.5 87 87 A V H X S+ 0 0 5 -4,-0.6 4,-0.9 2,-0.2 3,-0.4 0.960 113.8 48.5 -65.5 -47.9 22.6 2.2 2.6 88 88 A Y H >< S+ 0 0 34 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.928 110.7 49.8 -54.3 -51.5 24.7 1.2 5.6 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.5 54.7 -61.0 -29.8 22.9 -2.0 6.1 90 90 A S H 3< S+ 0 0 33 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.662 97.0 87.4 -76.1 -20.0 23.3 -2.8 2.3 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.464 77.0-115.6 -84.3 156.6 27.1 -2.4 2.5 92 92 A D > - 0 0 52 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.256 43.2 -94.0 -71.8 168.1 30.0 -4.7 3.3 93 93 A A H > S+ 0 0 71 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.815 122.3 47.8 -60.5 -36.8 32.2 -4.1 6.3 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.3 62,-0.2 3,-0.5 0.945 113.2 45.8 -73.1 -49.3 34.9 -2.1 4.4 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.858 105.2 62.7 -64.5 -30.8 32.5 0.2 2.6 96 96 A R H X S+ 0 0 75 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 100.3 54.7 -57.1 -38.9 30.6 0.7 5.9 97 97 A C H X S+ 0 0 15 -4,-1.1 4,-2.4 -3,-0.5 -1,-0.2 0.881 103.6 54.2 -62.2 -38.8 33.9 2.3 7.2 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.908 110.0 46.8 -59.4 -42.4 33.9 4.7 4.2 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.922 111.5 50.6 -67.3 -41.6 30.4 5.9 5.1 100 100 A I H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.912 108.3 54.5 -60.4 -40.1 31.3 6.2 8.8 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.935 107.9 48.2 -58.8 -48.1 34.3 8.3 7.8 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.919 112.6 48.2 -59.6 -44.2 32.2 10.7 5.8 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 109.1 53.8 -66.0 -36.9 29.7 11.1 8.7 104 104 A F H < S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.915 116.3 39.1 -58.6 -45.4 32.6 11.7 11.1 105 105 A Q H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.893 134.5 15.7 -73.9 -42.2 33.9 14.5 8.9 106 106 A M H < S- 0 0 54 -4,-2.7 4,-0.4 -5,-0.2 -3,-0.2 0.527 103.9-111.9-119.8 -10.1 30.7 16.2 7.8 107 107 A G X - 0 0 31 -4,-2.4 4,-2.3 -5,-0.4 5,-0.2 0.077 32.7 -79.0 89.5 158.5 27.9 15.0 10.1 108 108 A E H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 125.6 49.6 -59.9 -50.6 24.8 12.8 9.6 109 109 A T H > S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.896 110.9 50.3 -62.6 -42.1 22.6 15.5 7.9 110 110 A G H >4 S+ 0 0 37 -4,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.940 113.1 43.5 -64.6 -50.8 25.3 16.5 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.884 107.6 60.8 -66.7 -34.3 26.0 12.9 4.3 112 112 A A H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.769 95.4 63.1 -61.4 -21.9 22.3 12.2 4.1 113 113 A G T << S+ 0 0 54 -4,-1.0 2,-2.1 -3,-0.8 3,-0.3 0.596 75.4 91.2 -79.3 -6.6 21.9 15.0 1.5 114 114 A F <> + 0 0 45 -3,-2.1 4,-2.8 -4,-0.2 5,-0.3 -0.277 55.0 157.6 -79.2 55.1 24.2 13.0 -0.9 115 115 A T H > + 0 0 67 -2,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.869 64.4 43.1 -57.8 -44.2 21.0 11.4 -2.2 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.907 115.4 48.8 -72.8 -39.9 22.2 10.4 -5.7 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.905 110.6 51.6 -62.9 -41.1 25.5 9.0 -4.4 118 118 A L H X S+ 0 0 11 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.893 108.2 51.6 -63.1 -39.7 23.7 7.0 -1.7 119 119 A R H X S+ 0 0 116 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.940 109.7 50.0 -63.5 -45.6 21.3 5.5 -4.3 120 120 A M H <>S+ 0 0 28 -4,-2.1 5,-2.4 1,-0.2 4,-0.3 0.898 110.9 49.0 -60.1 -40.7 24.3 4.4 -6.4 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.921 109.8 50.9 -63.1 -46.2 26.0 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 84 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.863 110.8 50.2 -56.8 -37.3 22.8 1.0 -2.5 123 123 A Q T 3<5S- 0 0 80 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.518 111.8-124.8 -78.0 -7.2 22.6 -0.2 -6.1 124 124 A K T < 5 + 0 0 97 -3,-1.4 2,-1.2 -4,-0.3 -3,-0.2 0.821 61.1 147.1 59.6 38.6 26.3 -1.4 -5.9 125 125 A R >< + 0 0 120 -5,-2.4 4,-2.8 1,-0.2 5,-0.2 -0.695 21.5 173.1 -96.7 72.1 27.1 0.7 -8.9 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.876 68.1 44.4 -65.2 -42.2 30.6 1.3 -7.5 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 116.6 48.3 -69.6 -41.8 32.3 3.2 -10.3 128 128 A E H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 111.2 50.6 -61.4 -43.8 29.3 5.4 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.908 108.5 52.7 -59.2 -46.0 29.0 6.1 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.899 109.5 48.5 -59.7 -44.5 32.7 7.1 -7.1 131 131 A V H < S+ 0 0 89 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.933 113.7 46.7 -58.2 -47.8 32.2 9.5 -10.0 132 132 A N H >< S+ 0 0 38 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.881 106.4 57.8 -67.3 -39.4 29.2 11.1 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.3 -1,-0.2 0.821 100.5 58.3 -59.3 -33.9 30.9 11.4 -4.9 134 134 A A T 3< S+ 0 0 29 -4,-1.2 2,-1.7 -3,-0.4 -1,-0.3 0.641 84.7 81.8 -74.1 -13.9 33.7 13.5 -6.5 135 135 A K S < S+ 0 0 163 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.523 81.6 98.2 -88.3 66.4 31.2 16.1 -7.7 136 136 A S S > S- 0 0 15 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.999 85.1-118.4-153.9 152.2 31.0 17.8 -4.3 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.926 115.1 62.8 -55.3 -43.6 32.4 20.6 -2.2 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.916 105.1 43.2 -46.6 -54.9 33.7 17.8 0.0 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.913 114.8 49.2 -62.1 -45.5 36.0 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.7 42.4 -63.9 -36.7 37.2 19.9 -3.8 141 141 A Q H < S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.835 132.6 19.8 -82.9 -35.1 38.0 21.1 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.3 -0.625 75.2 159.9-129.7 68.7 39.7 17.9 1.0 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.848 70.0 51.3 -68.2 -37.0 40.6 16.0 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.939 116.4 41.0 -68.1 -42.9 43.3 13.7 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.934 115.4 50.8 -66.0 -44.3 41.1 12.4 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.904 107.6 54.2 -62.6 -40.6 38.0 12.3 -0.4 147 147 A K H X S+ 0 0 101 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.920 109.1 48.6 -60.0 -40.6 40.0 10.3 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.7 4,-1.8 2,-0.2 12,-0.2 0.931 114.3 44.6 -63.2 -47.1 41.0 7.7 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 114.2 50.1 -66.1 -42.4 37.3 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.922 108.1 51.9 -64.5 -41.1 36.1 7.2 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.7 4,-2.5 -5,-0.2 6,-0.4 0.881 108.0 54.1 -61.2 -35.2 38.6 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.933 111.6 44.1 -64.3 -43.8 37.4 2.6 -0.5 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 114.2 50.4 -65.9 -37.9 33.8 2.8 -1.8 154 154 A R H < S+ 0 0 107 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.924 126.6 20.8 -68.8 -39.4 34.8 1.9 -5.3 155 155 A T H < S- 0 0 39 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.658 84.2-134.2-107.6 -21.6 36.8 -1.2 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.751 74.3 106.7 62.0 23.5 35.7 -2.5 -1.0 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.802 79.0-122.9-122.6 169.7 39.4 -2.8 -0.2 158 158 A W >> + 0 0 28 -2,-0.3 3,-2.1 1,-0.2 4,-1.9 0.115 68.9 124.1 -95.2 20.1 41.9 -0.9 2.0 159 159 A D T 34 + 0 0 106 1,-0.3 -1,-0.2 2,-0.2 -7,-0.1 0.804 69.0 55.0 -56.3 -31.0 44.2 -0.2 -0.8 160 160 A A T 34 S+ 0 0 33 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.635 117.8 35.0 -78.3 -8.9 44.1 3.6 -0.3 161 161 A Y T <4 0 0 17 -3,-2.1 -2,-0.2 -13,-0.1 -1,-0.2 0.517 360.0 360.0-115.8 -17.2 45.1 3.3 3.4 162 162 A K < 0 0 179 -4,-1.9 -3,-0.0 -161,-0.0 0, 0.0 -0.241 360.0 360.0 -63.4 360.0 47.5 0.3 3.2