==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1C6F . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 12 7.4 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 1 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 0 2 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 70 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.0 43.4 -1.9 9.3 2 2 A N > - 0 0 67 1,-0.0 4,-2.5 156,-0.0 5,-0.2 -0.933 360.0 -76.3-156.6 180.0 40.1 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.832 125.0 50.1 -55.1 -41.8 38.0 2.4 11.3 4 4 A F H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.939 112.8 43.2 -67.6 -48.2 40.1 3.6 14.1 5 5 A E H > S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 114.3 53.8 -65.4 -32.0 43.4 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.959 112.2 40.9 -66.4 -48.9 41.9 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.807 109.3 60.7 -69.1 -26.6 40.6 7.9 10.9 8 8 A R H X S+ 0 0 96 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.886 108.7 45.8 -66.4 -31.5 43.8 8.2 13.0 9 9 A I H < S+ 0 0 87 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.948 115.8 43.0 -74.8 -46.2 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.780 124.9 34.2 -69.8 -28.8 43.2 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.1 19,-0.3 -5,-0.2 -1,-0.2 0.726 90.2-153.0-100.3 -28.2 42.8 13.1 11.2 12 12 A G < - 0 0 25 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.214 25.2 -90.4 75.9-171.4 46.3 13.1 12.9 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.968 41.7 174.1-143.1 121.2 46.7 13.5 16.6 14 14 A R E -A 28 0A 144 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -1.000 18.1-162.9-132.6 128.3 47.2 17.0 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.477 74.6 61.9 -91.2 -2.9 47.3 17.5 22.0 16 16 A K E S-C 57 0B 116 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.882 102.2 -86.8-122.7 147.2 46.8 21.3 21.9 17 17 A I E + 0 0 8 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.287 58.7 170.9 -50.8 136.2 43.8 23.1 20.5 18 18 A Y E -A 26 0A 23 8,-3.2 8,-2.9 -4,-0.1 2,-0.5 -0.867 34.5-106.0-141.8 171.8 44.2 23.7 16.8 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.879 33.1-138.2-104.2 141.2 42.2 24.9 13.9 20 20 A D > - 0 0 48 4,-2.7 3,-2.2 -2,-0.5 -1,-0.1 -0.077 41.1 -77.1 -82.6-169.5 41.0 22.4 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.732 134.4 48.2 -64.9 -21.8 40.9 22.7 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.403 123.2-103.3 -95.4 1.0 37.8 24.9 7.9 23 23 A G S < S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.586 75.5 140.4 88.6 14.1 39.4 27.2 10.6 24 24 A Y - 0 0 78 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.766 60.3-102.7-100.0 144.7 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 33 9,-0.8 8,-2.9 11,-0.4 9,-1.5 -0.392 54.7 157.2 -66.1 125.8 38.8 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-3.2 6,-0.3 2,-0.3 -0.904 19.2-168.8-141.9 167.9 39.5 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.1 -2,-0.3 2,-0.2 -0.985 51.3 6.3-154.7 165.2 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-0.9 -0.469 123.1 -6.2 70.3-133.0 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.668 128.0 -54.0 -98.6 68.5 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.805 83.0 161.9 72.1 24.5 39.6 15.5 14.9 31 31 A H E < -B 27 0A 34 -4,-2.1 -4,-1.7 2,-0.0 -1,-0.2 -0.705 31.6-145.6 -84.0 101.7 37.4 16.2 17.8 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.401 19.0-177.4 -64.7 131.3 35.6 19.5 16.8 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.835 56.5 -18.6-100.5 -38.1 35.1 21.7 19.7 34 34 A T E -B 25 0A 30 -9,-1.5 -9,-0.8 2,-0.1 -1,-0.4 -0.932 34.6-139.8-169.3 149.3 33.3 24.6 18.3 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.504 75.4 109.9 -88.0 -7.7 32.4 26.6 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.397 71.2-136.5 -74.6 142.2 32.9 29.8 17.2 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.608 75.7 105.7 -74.4 -8.6 35.8 32.1 16.5 38 38 A S > - 0 0 53 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.632 56.9-161.3 -81.9 121.2 36.3 32.5 20.2 39 39 A L H > S+ 0 0 65 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.847 94.5 55.5 -67.7 -29.4 39.3 30.6 21.7 40 40 A N H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 104.5 50.4 -71.7 -37.3 37.7 31.0 25.1 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 110.9 50.5 -64.8 -43.7 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.925 110.0 49.4 -59.0 -44.1 36.7 26.6 22.5 43 43 A K H X S+ 0 0 65 -4,-2.9 4,-2.0 2,-0.2 11,-0.2 0.884 109.7 53.1 -63.3 -34.0 38.6 26.2 25.8 44 44 A S H X S+ 0 0 71 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.948 109.6 45.8 -67.6 -47.1 35.3 26.1 27.7 45 45 A E H X S+ 0 0 66 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.893 111.1 56.1 -64.5 -35.2 33.8 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.949 107.7 46.0 -61.2 -43.0 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 37 -4,-2.0 4,-2.6 1,-0.2 5,-1.2 0.919 112.9 50.2 -64.5 -40.4 37.0 21.5 29.8 48 48 A K H <5S+ 0 0 142 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.867 111.3 49.8 -62.9 -42.9 33.4 20.4 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.888 120.3 35.2 -62.5 -42.4 34.3 17.5 27.3 50 50 A I H <5S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.759 101.8-125.0 -87.9 -30.7 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.780 78.3 64.7 92.2 21.5 35.9 17.0 32.9 52 52 A R S - 0 0 8 -2,-1.0 3,-1.3 -11,-0.2 -1,-0.2 0.701 32.2-143.8 -90.3 -21.9 42.7 21.6 30.8 55 55 A N T 3 S- 0 0 126 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.782 71.8 -57.3 63.1 23.9 44.0 25.0 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.501 118.7 95.9 88.0 3.6 43.9 23.8 26.2 57 57 A V B < +C 16 0B 72 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.988 47.0 178.3-128.7 137.3 46.1 20.9 26.5 58 58 A I - 0 0 4 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.858 27.9-107.1-130.4 167.1 45.0 17.2 27.0 59 59 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.494 32.2-105.7 -92.0 175.2 46.8 13.9 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 121.2 51.3 -58.0 -44.1 47.0 11.1 24.7 61 61 A D H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 109.7 48.9 -61.5 -41.6 44.7 9.0 26.7 62 62 A E H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.901 111.2 50.7 -65.9 -42.8 42.1 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -34,-0.4 0.909 111.4 48.1 -60.1 -44.2 42.4 12.3 23.2 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.873 109.4 53.8 -64.4 -37.6 41.8 8.5 22.6 65 65 A K H X S+ 0 0 142 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.948 109.4 46.7 -64.6 -45.2 38.9 8.6 24.9 66 66 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.926 111.8 52.9 -59.1 -41.4 37.2 11.4 23.0 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.912 107.0 51.2 -63.7 -43.2 38.0 9.6 19.7 68 68 A N H X S+ 0 0 89 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.940 110.5 48.4 -60.9 -39.8 36.3 6.5 20.9 69 69 A Q H X S+ 0 0 99 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.899 112.2 50.7 -63.9 -38.5 33.2 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.889 109.9 47.6 -69.1 -36.6 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.941 114.1 48.3 -68.8 -45.7 33.5 6.9 16.5 72 72 A D H X S+ 0 0 95 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.946 111.8 48.4 -56.9 -49.0 30.8 5.4 18.6 73 73 A A H X S+ 0 0 62 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.898 109.2 54.8 -60.5 -40.3 28.5 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.936 110.2 44.8 -58.8 -46.3 29.1 8.4 14.4 75 75 A V H X S+ 0 0 32 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.926 113.8 50.1 -63.9 -46.0 28.0 4.8 14.0 76 76 A R H X S+ 0 0 117 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.917 108.1 53.6 -62.7 -40.6 25.0 5.3 16.1 77 77 A G H X S+ 0 0 11 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.906 108.7 48.9 -60.8 -42.9 24.1 8.4 14.1 78 78 A I H >< S+ 0 0 3 -4,-2.0 3,-1.5 2,-0.2 7,-0.4 0.963 111.1 50.2 -58.9 -48.9 24.2 6.4 10.9 79 79 A L H 3< S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.817 111.4 49.0 -64.4 -25.1 22.0 3.6 12.4 80 80 A R H 3< S+ 0 0 177 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.576 92.2 92.3 -88.7 -9.7 19.5 6.1 13.6 81 81 A N S+ 0 0 9 -6,-0.2 4,-2.5 -7,-0.2 3,-0.4 0.869 100.2 69.2 -92.0 -38.4 21.8 6.2 5.9 85 85 A K H X S+ 0 0 92 -4,-3.3 4,-3.1 -7,-0.4 5,-0.3 0.924 97.6 50.1 -49.5 -50.0 21.0 3.0 7.7 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.884 112.8 48.7 -62.0 -30.7 19.8 1.0 4.7 87 87 A V H > S+ 0 0 8 -4,-0.4 4,-0.6 -3,-0.4 -2,-0.2 0.950 112.1 46.3 -70.5 -48.9 22.8 2.0 2.8 88 88 A Y H >< S+ 0 0 29 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.889 109.3 55.4 -59.8 -44.5 25.2 1.1 5.4 89 89 A D H 3< S+ 0 0 71 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.847 104.4 55.0 -63.2 -27.0 23.5 -2.2 6.1 90 90 A S H 3< S+ 0 0 41 -4,-1.4 -1,-0.2 -5,-0.3 2,-0.2 0.628 95.6 91.8 -78.9 -10.1 23.9 -3.2 2.5 91 91 A L S << S- 0 0 7 -3,-1.0 2,-0.1 -4,-0.6 31,-0.0 -0.564 75.9-116.8 -88.0 156.4 27.6 -2.7 2.6 92 92 A D > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.212 43.3 -95.1 -75.5 168.7 30.5 -4.9 3.3 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.842 121.0 50.0 -59.1 -39.8 32.8 -4.1 6.3 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.7 62,-0.2 3,-0.3 0.927 112.8 46.8 -66.2 -48.9 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.877 106.3 59.0 -64.4 -36.7 33.0 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.898 102.3 53.9 -58.4 -35.5 31.1 0.6 6.0 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.919 106.1 53.7 -67.4 -36.5 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.881 108.4 48.7 -62.5 -37.6 34.4 4.4 4.5 99 99 A A H X S+ 0 0 18 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.906 109.7 52.0 -69.3 -36.0 30.9 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.948 105.9 54.7 -65.0 -41.7 31.8 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.930 108.4 48.6 -55.6 -48.6 34.8 8.2 8.0 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.891 112.4 47.7 -59.9 -41.3 32.6 10.6 5.9 103 103 A V H X S+ 0 0 9 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.935 109.9 53.3 -67.1 -41.4 30.1 10.9 8.7 104 104 A F H < S+ 0 0 32 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.923 115.2 41.9 -57.9 -42.4 32.8 11.6 11.2 105 105 A Q H < S+ 0 0 53 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.904 133.4 12.7 -74.4 -45.9 34.1 14.3 9.0 106 106 A M H X S- 0 0 54 -4,-2.9 4,-0.6 -5,-0.2 -2,-0.2 0.425 102.3-107.8-121.1 8.6 31.0 16.0 7.9 107 107 A G H X - 0 0 31 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.222 32.3 -83.6 79.9 152.6 28.1 14.9 10.0 108 108 A E H > S+ 0 0 71 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.883 127.9 52.8 -58.9 -41.1 25.1 12.7 9.4 109 109 A T H > S+ 0 0 119 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.932 108.2 50.5 -63.5 -46.4 23.3 15.5 7.9 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.951 114.5 42.7 -58.1 -53.9 26.1 16.2 5.5 111 111 A V H >< S+ 0 0 7 -4,-2.9 3,-2.4 1,-0.3 -1,-0.2 0.874 103.8 64.1 -61.4 -38.1 26.3 12.7 4.3 112 112 A A H 3< S+ 0 0 21 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.771 94.6 66.5 -59.7 -22.9 22.6 12.2 4.1 113 113 A G T << S+ 0 0 58 -4,-1.0 2,-1.2 -3,-1.0 -1,-0.3 0.490 74.2 85.8 -75.1 -4.8 22.7 14.9 1.4 114 114 A F <> + 0 0 38 -3,-2.4 4,-2.8 1,-0.2 5,-0.3 -0.378 56.3 158.0 -93.1 57.3 24.7 12.7 -1.1 115 115 A T H > + 0 0 78 -2,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.866 65.9 45.1 -46.6 -54.8 21.5 11.3 -2.3 116 116 A N H > S+ 0 0 78 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.852 114.5 48.3 -62.3 -38.9 22.6 10.1 -5.7 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 108.8 54.9 -69.9 -41.2 25.9 8.6 -4.4 118 118 A L H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.903 108.0 48.4 -56.2 -44.9 24.1 6.8 -1.7 119 119 A R H X S+ 0 0 122 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.950 111.4 49.7 -66.6 -37.5 21.7 5.2 -4.1 120 120 A M H <>S+ 0 0 38 -4,-1.9 5,-2.3 1,-0.2 4,-0.4 0.914 112.0 49.0 -65.7 -38.9 24.6 4.1 -6.4 121 121 A L H ><5S+ 0 0 6 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.937 109.3 51.7 -63.6 -47.6 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.906 111.4 48.0 -55.1 -40.0 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 95 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.499 113.1-120.8 -80.5 -2.9 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 103 -3,-1.9 2,-1.3 -4,-0.4 -3,-0.2 0.735 62.5 145.6 68.7 28.3 26.8 -1.6 -5.8 125 125 A R >< + 0 0 114 -5,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.710 22.2 174.0 -96.2 79.5 27.7 0.6 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.878 68.2 45.9 -59.5 -50.8 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 114.8 48.0 -63.9 -40.5 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 110.6 51.4 -65.3 -41.5 29.7 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.937 108.2 53.3 -61.3 -38.6 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.895 108.9 47.5 -65.4 -38.5 33.0 7.2 -7.2 131 131 A V H X S+ 0 0 91 -4,-1.8 4,-0.6 -5,-0.2 3,-0.3 0.932 114.4 47.3 -70.0 -40.4 32.6 9.6 -10.0 132 132 A N H >< S+ 0 0 36 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.912 107.4 55.9 -67.2 -38.0 29.5 11.1 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.3 -5,-0.2 -1,-0.2 0.859 101.3 58.0 -65.4 -30.2 31.1 11.4 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.2 0.659 84.9 83.5 -75.9 -12.0 34.0 13.5 -6.4 135 135 A K S << S+ 0 0 164 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.527 80.5 95.8 -83.8 67.1 31.5 16.1 -7.7 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.999 85.8-116.4-156.8 159.1 31.4 17.8 -4.4 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.909 113.1 63.7 -63.4 -40.7 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.956 106.2 42.8 -48.0 -49.6 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 52 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.7 50.4 -69.4 -39.7 36.4 16.5 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.859 116.5 42.5 -66.2 -33.5 37.5 20.0 -4.0 141 141 A Q H < S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 131.9 18.9 -79.3 -42.3 38.4 21.2 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 -0.591 73.9 160.1-128.0 68.0 40.1 18.0 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.877 67.7 52.7 -62.8 -40.2 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.932 116.8 39.9 -63.6 -42.5 43.8 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 114.6 52.8 -69.2 -44.8 41.6 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.920 108.0 53.0 -57.9 -41.8 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 97 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.877 107.2 50.7 -61.4 -40.7 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 71 -4,-1.5 4,-1.4 -5,-0.2 12,-0.2 0.925 114.6 43.0 -61.6 -43.0 41.4 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.916 114.0 51.7 -67.7 -44.6 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.902 109.1 49.3 -57.1 -46.9 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 39 -4,-2.5 4,-2.7 1,-0.2 6,-0.3 0.843 107.6 56.3 -62.3 -32.9 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.892 110.8 42.6 -62.9 -45.4 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.867 115.5 52.6 -69.1 -36.5 34.2 2.7 -1.6 154 154 A R H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 124.5 20.3 -63.5 -48.1 35.3 2.0 -5.1 155 155 A T H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.594 85.0-134.0-100.5 -19.7 37.4 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.740 74.4 99.4 68.2 20.2 36.3 -2.4 -1.1 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.2 -0.820 80.2-118.5-130.4 173.0 40.0 -2.8 0.0 158 158 A W S >> S+ 0 0 36 -2,-0.3 3,-2.0 1,-0.2 4,-0.7 0.107 71.0 121.5 -95.9 21.5 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 101 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.813 65.8 60.3 -61.8 -24.6 44.8 -0.1 -0.5 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.670 109.8 45.2 -71.6 -16.8 44.6 3.7 -0.4 161 161 A Y G <4 0 0 20 -3,-2.0 -1,-0.2 -13,-0.1 -2,-0.2 0.540 360.0 360.0-105.8 -4.5 45.7 3.4 3.2 162 162 A K << 0 0 172 -3,-0.7 -3,-0.1 -4,-0.7 -2,-0.1 0.743 360.0 360.0-100.0 360.0 48.6 1.0 2.7