==== 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 1C63 . 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) . 8787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 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 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.1 43.4 -1.9 9.0 2 2 A N > - 0 0 69 156,-0.0 4,-3.1 1,-0.0 5,-0.2 -0.946 360.0 -81.6-158.2 174.9 40.2 -0.8 10.7 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.860 123.2 50.5 -55.9 -41.0 38.1 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.963 114.9 40.5 -64.7 -54.6 40.2 3.5 14.2 5 5 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.898 113.4 56.8 -62.6 -39.7 43.5 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.962 112.5 38.6 -54.6 -55.0 41.9 4.6 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.850 110.8 60.7 -68.0 -27.4 40.6 7.9 10.9 8 8 A R H X S+ 0 0 102 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.915 108.5 45.8 -68.9 -31.8 43.8 8.2 13.0 9 9 A I H < S+ 0 0 86 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.925 115.9 43.2 -73.5 -42.5 45.6 8.4 9.7 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.841 124.5 32.6 -73.6 -29.4 43.3 10.9 8.1 11 11 A E H < S- 0 0 44 -4,-2.6 19,-0.4 1,-0.2 -2,-0.2 0.645 92.0-152.1-100.1 -22.2 42.8 13.2 11.1 12 12 A G < - 0 0 24 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.196 24.2 -87.4 73.0-169.9 46.2 13.0 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.930 42.8 172.6-140.2 117.0 46.7 13.5 16.6 14 14 A R E -A 28 0A 126 14,-1.6 14,-2.8 -2,-0.3 4,-0.1 -0.985 19.0-162.4-130.3 125.2 47.3 17.0 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.462 73.7 63.9 -83.6 -5.9 47.3 17.5 21.9 16 16 A K E S-C 57 0B 119 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.903 100.3 -87.4-120.3 152.8 46.8 21.3 21.8 17 17 A I E + 0 0 16 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.322 58.5 167.1 -54.1 138.1 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-2.8 8,-3.2 -4,-0.1 2,-0.5 -0.877 37.5-106.1-143.3 170.3 44.3 23.8 16.7 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.873 32.8-137.5-101.8 136.8 42.2 25.0 13.8 20 20 A D > - 0 0 47 4,-2.9 3,-2.4 -2,-0.5 6,-0.0 -0.134 42.7 -78.7 -78.2-169.1 41.1 22.4 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.660 136.2 51.0 -65.6 -21.0 41.1 22.9 7.5 22 22 A E T 3 S- 0 0 77 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.477 121.7-109.5 -92.5 -4.5 37.9 24.9 7.9 23 23 A G S < S+ 0 0 37 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.551 72.1 138.6 87.8 17.0 39.5 27.1 10.6 24 24 A Y - 0 0 84 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.797 62.1 -99.3-100.0 148.1 37.5 25.7 13.4 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-3.1 11,-0.4 9,-1.6 -0.349 54.6 160.5 -62.6 124.4 38.9 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-2.8 6,-0.3 2,-0.3 -0.914 19.5-163.2-140.9 166.0 39.6 21.2 17.2 27 27 A I E > - B 0 31A 0 4,-2.0 4,-2.2 -2,-0.3 2,-0.2 -0.996 50.4 -4.4-151.0 158.0 41.6 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-1.6 -2,-0.3 2,-1.2 -0.440 122.6 -0.9 70.3-131.6 42.9 15.4 19.4 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.691 129.3 -56.0 -98.3 72.6 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 14 -2,-1.2 2,-1.0 -19,-0.4 -2,-0.2 0.765 82.9 161.3 63.5 32.0 39.7 15.5 14.8 31 31 A H E < -B 27 0A 29 -4,-2.2 -4,-2.0 32,-0.0 -1,-0.2 -0.726 32.4-144.0 -89.2 102.2 37.4 16.3 17.8 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.373 19.8-177.6 -63.2 130.6 35.7 19.6 16.7 33 33 A L E - 0 0 13 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.837 58.4 -17.2 -99.6 -36.2 35.2 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.6 -9,-0.7 2,-0.1 -1,-0.4 -0.928 33.1-141.1-169.2 150.2 33.4 24.7 18.2 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.522 78.2 107.9 -85.6 -11.5 32.4 26.7 15.0 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.374 74.0-135.6 -74.3 142.2 33.0 29.8 17.1 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.548 74.3 107.0 -75.3 -3.2 35.9 32.1 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-3.1 -13,-0.0 5,-0.2 -0.641 53.3-164.5 -87.9 119.3 36.5 32.4 20.3 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.9 2,-0.2 5,-0.2 0.829 93.9 53.6 -68.2 -28.6 39.3 30.6 21.7 40 40 A N H > S+ 0 0 106 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 107.4 50.6 -71.9 -42.8 37.8 31.0 25.1 41 41 A A H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.958 111.3 48.5 -53.6 -53.4 34.7 29.5 24.0 42 42 A A H X S+ 0 0 0 -4,-3.1 4,-3.5 1,-0.2 -2,-0.2 0.921 110.9 50.6 -54.9 -44.0 36.7 26.6 22.5 43 43 A K H X S+ 0 0 71 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.889 109.2 52.9 -64.6 -32.2 38.6 26.2 25.8 44 44 A S H X S+ 0 0 72 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.931 109.6 46.6 -66.5 -46.1 35.3 26.1 27.5 45 45 A E H X S+ 0 0 72 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.947 110.4 54.7 -63.1 -46.9 34.0 23.4 25.3 46 46 A L H X S+ 0 0 0 -4,-3.5 4,-2.3 -5,-0.2 5,-0.3 0.937 108.9 46.1 -52.6 -47.5 37.2 21.5 25.8 47 47 A D H X>S+ 0 0 39 -4,-1.9 4,-2.0 1,-0.2 5,-1.3 0.863 112.7 51.1 -63.1 -37.4 37.0 21.5 29.7 48 48 A K H <5S+ 0 0 141 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.854 111.5 47.6 -65.6 -43.9 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.876 120.2 37.3 -68.4 -38.1 34.2 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.745 102.5-124.9 -88.5 -30.7 37.2 16.4 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.818 77.2 66.8 94.7 19.6 35.9 17.1 32.8 52 52 A R S - 0 0 6 -2,-0.9 3,-1.0 -11,-0.2 -1,-0.2 0.736 34.7-141.4 -92.9 -25.3 42.7 21.7 30.8 55 55 A N T 3 S- 0 0 129 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.731 74.0 -61.2 68.6 19.3 44.1 25.1 29.9 56 56 A G T 3 S+ 0 0 7 1,-0.2 -39,-1.7 -13,-0.2 2,-0.4 0.608 117.0 99.9 79.7 18.6 43.7 23.8 26.2 57 57 A V B < +C 16 0B 72 -3,-1.0 2,-0.3 -41,-0.2 -1,-0.2 -0.992 46.2 179.3-134.2 132.5 46.0 20.9 26.5 58 58 A I - 0 0 4 -43,-1.9 2,-0.1 -2,-0.4 -30,-0.1 -0.886 26.9-107.8-130.7 167.5 45.1 17.2 27.0 59 59 A T > - 0 0 59 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.444 33.7-104.9 -90.1 169.1 46.9 13.9 27.3 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.908 121.7 52.3 -54.9 -49.1 47.1 11.1 24.7 61 61 A D H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 108.1 50.6 -57.1 -43.4 44.7 9.0 26.7 62 62 A E H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 111.0 50.3 -63.5 -38.6 42.1 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -34,-0.4 0.893 110.9 46.8 -64.0 -44.5 42.4 12.3 23.1 64 64 A E H X S+ 0 0 79 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.827 109.4 57.4 -66.7 -31.8 41.9 8.6 22.5 65 65 A K H X S+ 0 0 138 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.966 107.8 44.2 -61.7 -54.3 39.0 8.7 24.8 66 66 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.901 111.6 56.7 -54.9 -40.3 37.2 11.4 22.9 67 67 A F H X S+ 0 0 11 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.931 106.0 48.4 -60.9 -47.8 38.0 9.5 19.6 68 68 A N H X S+ 0 0 87 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.936 112.6 48.5 -58.1 -45.0 36.3 6.4 20.8 69 69 A Q H X S+ 0 0 98 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.889 112.4 49.4 -62.5 -41.3 33.3 8.3 21.8 70 70 A D H X S+ 0 0 36 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.894 111.7 46.9 -64.3 -41.7 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-3.2 4,-2.6 2,-0.2 3,-0.3 0.975 112.5 49.7 -63.7 -51.5 33.5 6.9 16.5 72 72 A D H X S+ 0 0 99 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.933 112.2 49.6 -52.4 -46.0 30.8 5.2 18.5 73 73 A A H X S+ 0 0 62 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.862 107.8 54.3 -61.8 -37.1 28.6 8.3 18.0 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.1 -3,-0.3 -1,-0.2 0.962 110.1 45.2 -60.3 -55.7 29.2 8.3 14.4 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.895 112.4 50.1 -56.6 -44.2 28.1 4.8 14.0 76 76 A R H X S+ 0 0 145 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.892 107.4 56.3 -65.6 -33.1 25.1 5.2 16.1 77 77 A G H X S+ 0 0 8 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.907 107.2 48.9 -61.2 -44.6 24.1 8.2 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 7,-0.4 0.985 111.6 48.4 -58.8 -52.8 24.2 6.2 10.9 79 79 A L H 3< S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 112.1 49.3 -62.3 -25.9 22.0 3.4 12.4 80 80 A R H 3< S+ 0 0 203 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.626 95.2 90.2 -83.7 -20.2 19.5 5.9 13.7 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.5 0.845 99.4 68.4 -82.2 -40.8 21.8 6.1 6.0 85 85 A K H 3X S+ 0 0 83 -4,-3.1 4,-2.9 -7,-0.4 5,-0.2 0.885 97.9 51.8 -54.0 -44.0 21.0 2.9 7.7 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.820 111.1 48.2 -66.7 -28.3 19.9 1.0 4.6 87 87 A V H X> S+ 0 0 4 -3,-0.5 4,-1.0 -4,-0.4 3,-0.7 0.967 112.4 48.8 -73.3 -44.3 23.0 1.9 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.915 109.8 49.5 -54.8 -53.2 25.2 1.0 5.6 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.789 105.9 60.4 -64.4 -21.2 23.6 -2.4 6.2 90 90 A S H << S+ 0 0 36 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.713 94.9 87.9 -77.8 -16.3 23.9 -3.1 2.4 91 91 A L S << S- 0 0 7 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.480 76.6-119.1 -89.4 156.7 27.6 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 -1,-0.1 -0.261 46.2 -94.4 -75.4 169.4 30.6 -5.1 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.849 121.8 50.5 -59.5 -40.5 32.8 -4.2 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.5 2,-0.2 3,-0.4 0.956 112.5 45.1 -63.2 -53.0 35.5 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.854 106.9 61.1 -62.4 -31.9 33.0 0.1 2.5 96 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.921 101.8 52.1 -57.6 -42.3 31.1 0.5 5.8 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.6 -3,-0.4 -1,-0.2 0.869 105.4 56.5 -61.4 -36.1 34.4 2.0 7.2 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.892 108.6 45.6 -64.5 -35.8 34.4 4.4 4.3 99 99 A L H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.891 110.0 52.9 -77.8 -29.8 31.0 5.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.935 107.0 55.0 -66.1 -42.0 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.943 107.5 48.2 -52.6 -50.9 34.8 8.1 7.8 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.915 112.7 47.8 -59.0 -45.2 32.6 10.5 5.8 103 103 A V H X S+ 0 0 9 -4,-1.9 4,-3.6 1,-0.2 -1,-0.2 0.938 109.4 53.3 -63.1 -44.7 30.1 10.9 8.7 104 104 A F H < S+ 0 0 33 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.930 116.3 40.2 -51.8 -45.5 32.8 11.5 11.2 105 105 A Q H < S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.916 133.1 17.3 -75.9 -45.1 34.2 14.2 9.0 106 106 A M H X S- 0 0 52 -4,-3.0 4,-0.7 -5,-0.3 -3,-0.2 0.546 102.0-108.9-114.3 4.3 31.1 15.8 7.8 107 107 A G H X - 0 0 29 -4,-3.6 4,-2.3 -5,-0.3 5,-0.1 0.148 35.1 -84.3 79.9 147.1 28.1 14.9 10.0 108 108 A E H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 -1,-0.1 0.827 128.5 51.8 -52.5 -45.6 25.2 12.7 9.3 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.962 105.9 50.5 -62.4 -56.1 23.5 15.5 7.7 110 110 A G H >< S+ 0 0 35 -4,-0.7 3,-0.7 1,-0.2 -2,-0.2 0.862 115.9 44.3 -53.4 -43.6 26.2 16.4 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.894 100.1 64.8 -72.6 -40.3 26.4 12.9 4.2 112 112 A A H 3< S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.702 94.3 66.5 -56.6 -17.4 22.8 12.2 3.9 113 113 A G T << S+ 0 0 61 -4,-0.9 -1,-0.3 -3,-0.7 3,-0.2 0.140 77.1 83.0 -86.6 16.7 22.9 14.9 1.1 114 114 A F <> + 0 0 28 -3,-1.8 4,-2.9 1,-0.2 5,-0.3 -0.235 58.6 147.1-109.6 43.7 25.1 12.6 -1.1 115 115 A T H > + 0 0 74 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.856 62.9 46.5 -44.8 -52.0 21.8 11.1 -2.0 116 116 A N H > S+ 0 0 95 -3,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.911 114.9 45.9 -62.9 -44.0 22.8 10.2 -5.5 117 117 A S H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.856 110.9 56.0 -66.1 -36.3 26.1 8.6 -4.5 118 118 A L H X S+ 0 0 21 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.877 106.9 48.4 -62.1 -43.9 24.3 6.9 -1.8 119 119 A R H X S+ 0 0 167 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.957 110.2 49.9 -66.5 -44.5 21.8 5.3 -4.2 120 120 A M H <>S+ 0 0 43 -4,-2.2 5,-2.7 1,-0.2 4,-0.3 0.898 111.3 50.7 -60.1 -41.1 24.5 4.1 -6.7 121 121 A A H ><5S+ 0 0 4 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.936 105.1 54.6 -65.8 -38.2 26.4 2.5 -3.8 122 122 A Q H 3<5S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.886 109.7 48.7 -59.4 -38.3 23.3 0.8 -2.6 123 123 A Q T 3<5S- 0 0 75 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.382 115.4-119.3 -77.4 -3.1 23.1 -0.6 -6.1 124 124 A K T < 5 + 0 0 99 -3,-2.1 2,-1.3 -4,-0.3 -3,-0.2 0.758 64.7 146.2 67.0 30.6 26.8 -1.7 -6.0 125 125 A R >< + 0 0 112 -5,-2.7 4,-2.1 1,-0.2 -1,-0.2 -0.717 21.3 173.2 -97.9 75.7 27.6 0.6 -9.0 126 126 A W H > + 0 0 49 -2,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.854 66.9 48.4 -55.5 -46.5 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 113.1 47.2 -66.1 -38.9 32.6 3.3 -10.4 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 110.1 52.1 -71.5 -40.3 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 3 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.921 107.7 54.7 -56.4 -44.1 29.4 6.2 -7.1 130 130 A A H X S+ 0 0 12 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.919 108.8 47.0 -58.6 -45.1 33.1 7.2 -7.2 131 131 A V H X S+ 0 0 80 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.938 113.7 47.0 -68.0 -41.3 32.6 9.6 -9.8 132 132 A N H >< S+ 0 0 38 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.888 106.7 57.3 -68.2 -34.8 29.6 11.2 -8.2 133 133 A L H 3< S+ 0 0 6 -4,-3.2 6,-0.4 1,-0.2 -1,-0.2 0.868 101.7 58.3 -63.7 -33.7 31.2 11.4 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.3 2,-2.1 -5,-0.2 -1,-0.2 0.671 84.5 81.3 -69.2 -17.8 34.0 13.5 -6.4 135 135 A K S << S+ 0 0 156 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.529 80.6 102.4 -84.1 66.3 31.7 16.2 -7.7 136 136 A S S > S- 0 0 19 -2,-2.1 4,-2.1 1,-0.1 5,-0.1 -0.998 84.5-119.5-153.5 158.2 31.6 17.8 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.870 115.1 62.4 -59.3 -40.2 32.8 20.6 -2.2 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.968 105.7 43.0 -49.9 -52.0 34.3 17.8 -0.0 139 139 A Y H 4 S+ 0 0 64 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.7 50.3 -65.9 -40.5 36.5 16.6 -2.8 140 140 A N H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 115.6 41.8 -72.1 -26.9 37.6 20.0 -3.9 141 141 A Q H < S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.858 132.8 18.6 -86.4 -39.3 38.5 21.2 -0.3 142 142 A T S X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 -0.472 74.4 160.9-127.7 64.4 40.3 18.1 0.9 143 143 A P H > + 0 0 45 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.839 68.8 53.5 -54.0 -45.2 41.1 16.1 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.953 116.8 38.7 -60.0 -43.9 43.9 13.7 -0.8 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 115.1 52.5 -68.1 -49.4 41.7 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.912 107.6 52.9 -55.8 -38.3 38.7 12.5 -0.2 147 147 A K H X S+ 0 0 99 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.917 108.3 50.8 -62.4 -42.0 40.5 10.4 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.4 -5,-0.2 12,-0.2 0.914 113.6 43.9 -60.5 -43.0 41.5 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.919 113.9 50.4 -68.6 -41.9 37.9 7.5 1.1 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.883 108.6 51.1 -66.5 -42.6 36.5 7.3 -2.4 151 151 A T H X S+ 0 0 43 -4,-2.8 4,-2.6 -5,-0.3 6,-0.4 0.875 109.4 53.3 -62.9 -32.5 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-3.1 -5,-0.2 -2,-0.2 0.928 110.6 45.9 -63.7 -44.2 37.9 2.7 -0.4 153 153 A F H < S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.8 46.9 -67.1 -39.9 34.3 2.9 -1.3 154 154 A R H < S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 122.9 28.8 -71.3 -42.1 35.0 2.0 -4.8 155 155 A T H < S- 0 0 46 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.698 85.2-135.4 -95.7 -24.3 37.2 -0.9 -4.3 156 156 A G S < S+ 0 0 14 -4,-3.1 2,-0.2 -5,-0.3 -62,-0.2 0.718 72.9 104.3 78.1 8.1 36.1 -2.4 -1.0 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.803 78.1-122.4-122.7 173.6 39.9 -2.8 -0.1 158 158 A W S > S+ 0 0 41 -2,-0.2 3,-2.0 1,-0.2 4,-0.3 0.128 72.7 119.8 -95.1 13.9 42.5 -0.8 2.2 159 159 A D G > + 0 0 100 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.838 67.5 55.0 -50.3 -42.0 44.8 -0.1 -0.7 160 160 A A G 3 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.684 105.7 55.8 -66.7 -19.9 44.6 3.7 -0.4 161 161 A Y G < 0 0 18 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.462 360.0 360.0 -97.2 4.8 45.7 3.4 3.1 162 162 A K < 0 0 177 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.1 0.887 360.0 360.0 -92.6 360.0 48.9 1.4 2.5