==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-91 1L68 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.HEINZ,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.3 43.5 -1.8 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 3,-0.2 -0.921 360.0 -83.9-152.8 174.1 40.4 -0.8 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.836 123.6 50.9 -54.3 -39.0 38.2 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 113.9 43.2 -67.2 -43.8 40.3 3.7 14.2 5 5 A E H > S+ 0 0 98 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.861 113.3 53.7 -67.6 -38.6 43.5 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.952 112.2 42.7 -61.0 -51.6 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.818 107.7 59.8 -66.6 -30.3 40.7 7.8 11.0 8 8 A R H X S+ 0 0 102 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.881 108.3 46.4 -66.5 -32.6 43.9 8.3 12.9 9 9 A I H < S+ 0 0 87 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.936 115.2 45.7 -71.0 -44.3 45.6 8.6 9.5 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 126.1 28.2 -66.2 -37.8 43.0 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.685 89.8-154.7 -99.4 -26.1 42.8 13.3 11.2 12 12 A G < - 0 0 21 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.154 28.9 -83.9 72.8-168.0 46.2 13.0 12.8 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.982 42.9 174.2-138.8 125.8 46.6 13.7 16.6 14 14 A R E -A 28 0A 138 14,-2.0 14,-2.6 -2,-0.4 4,-0.1 -0.996 15.1-168.9-133.2 131.1 47.0 17.2 18.3 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.2 12,-0.2 2,-0.4 0.360 72.9 64.6-101.3 2.0 47.1 17.7 21.9 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.934 102.7 -88.0-121.5 142.9 46.8 21.4 21.9 17 17 A I E + 0 0 17 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.211 58.1 171.8 -49.0 139.3 43.7 23.2 20.5 18 18 A Y E -A 26 0A 27 8,-3.4 8,-3.0 -4,-0.1 2,-0.5 -0.892 34.3-106.0-141.8 175.2 44.1 23.8 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.3 6,-0.2 13,-0.0 -0.885 33.5-137.8-105.5 135.5 42.0 25.0 13.9 20 20 A D > - 0 0 53 4,-3.7 3,-1.6 -2,-0.5 -1,-0.1 0.030 41.6 -77.4 -76.7-167.7 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 134.9 46.3 -63.7 -20.7 40.7 22.8 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.346 124.6-102.5-100.4 -0.8 37.6 25.0 7.8 23 23 A G S < S+ 0 0 36 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.600 73.7 141.4 90.7 16.0 39.2 27.1 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-3.7 -5,-0.0 -1,-0.3 -0.757 58.7-100.9 -98.5 151.0 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-3.0 11,-0.4 9,-1.5 -0.415 55.0 155.6 -67.3 126.2 38.7 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.4 6,-0.3 2,-0.3 -0.866 19.8-169.1-142.2 166.8 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 2,-0.2 -0.972 52.0 8.1-155.2 167.1 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.9 -0.450 122.3 -7.2 71.1-134.4 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.679 127.6 -52.7 -99.5 70.6 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.772 83.4 160.5 73.4 20.6 39.7 15.4 14.8 31 31 A H E < -B 27 0A 34 -4,-2.0 -4,-1.5 1,-0.0 -1,-0.2 -0.646 32.0-143.9 -84.4 103.3 37.4 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.388 18.2-176.2 -65.3 130.2 35.6 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.890 56.5 -27.7 -93.6 -46.7 35.0 21.7 19.7 34 34 A T E -B 25 0A 28 -9,-1.5 -9,-0.6 2,-0.1 -1,-0.4 -0.980 35.1-135.9-162.4 157.6 33.1 24.6 18.3 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.595 73.6 107.6 -96.7 -10.5 32.4 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.309 73.9-128.9 -65.1 152.7 32.6 29.9 17.1 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.586 76.9 105.5 -75.2 -15.6 35.6 32.1 16.5 38 38 A S > - 0 0 51 1,-0.2 4,-1.6 2,-0.0 5,-0.1 -0.659 55.9-159.8 -81.4 120.6 36.2 32.5 20.2 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.793 96.6 57.3 -63.7 -29.9 39.2 30.6 21.7 40 40 A N H > S+ 0 0 119 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.953 103.1 49.6 -71.0 -41.9 37.6 31.0 25.0 41 41 A A H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 112.2 50.7 -61.0 -32.6 34.4 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.909 107.8 51.7 -68.8 -43.8 36.6 26.6 22.6 43 43 A K H X S+ 0 0 50 -4,-2.6 4,-2.5 1,-0.2 11,-0.2 0.924 110.2 50.0 -60.8 -41.3 38.5 26.3 25.9 44 44 A A H X S+ 0 0 55 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.913 110.2 48.6 -65.4 -40.7 35.2 26.1 27.7 45 45 A E H X S+ 0 0 70 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.921 110.4 53.2 -63.5 -42.3 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.4 0.943 109.2 47.3 -56.1 -49.7 37.1 21.5 25.9 47 47 A D H X>S+ 0 0 35 -4,-2.5 4,-2.7 1,-0.2 5,-1.0 0.898 111.0 51.3 -60.9 -38.5 36.9 21.6 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.849 112.0 46.8 -66.8 -35.2 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.908 120.5 37.3 -72.8 -38.7 34.2 17.5 27.4 50 50 A I H <5S- 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.768 101.8-128.8 -84.1 -34.1 37.3 16.4 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.7 2,-0.3 1,-0.4 -3,-0.2 0.776 74.9 73.9 89.3 26.0 35.9 17.2 32.8 52 52 A R S - 0 0 8 -2,-0.9 3,-1.3 -11,-0.2 -1,-0.2 0.663 31.9-142.3 -92.8 -20.6 42.5 22.0 30.8 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.822 73.4 -64.5 59.5 27.7 44.1 25.2 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.530 115.4 98.4 73.2 12.4 43.7 24.0 26.1 57 57 A V B < -C 16 0B 66 -3,-1.3 2,-0.2 -41,-0.2 -41,-0.2 -0.993 47.1-178.8-131.4 137.6 46.0 21.0 26.3 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.768 26.0-106.2-127.6 172.3 45.1 17.4 26.9 59 59 A T > - 0 0 66 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.553 33.0-106.8 -95.4 167.8 46.9 14.1 27.3 60 60 A K H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 122.3 51.2 -56.6 -46.7 47.1 11.3 24.8 61 61 A D H > S+ 0 0 125 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.865 108.5 51.9 -60.5 -39.3 44.8 9.2 26.9 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.906 110.8 48.8 -62.5 -43.4 42.3 12.1 27.0 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.887 110.4 49.8 -62.7 -42.0 42.4 12.3 23.2 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.796 108.3 54.6 -67.5 -29.4 41.9 8.6 22.7 65 65 A K H X S+ 0 0 135 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.942 108.4 45.5 -71.1 -47.1 39.0 8.7 24.9 66 66 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.879 112.0 56.2 -59.9 -38.8 37.3 11.5 23.0 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.934 105.3 48.9 -58.9 -50.2 38.2 9.5 19.9 68 68 A N H X S+ 0 0 89 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.884 113.1 48.8 -58.1 -39.1 36.4 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.911 109.8 51.1 -69.1 -39.2 33.4 8.3 22.0 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.848 109.5 48.4 -69.1 -34.8 33.3 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.917 112.3 49.3 -71.1 -40.9 33.6 6.8 16.7 72 72 A D H X S+ 0 0 87 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.960 111.2 50.6 -59.0 -46.0 30.8 5.2 18.7 73 73 A A H X S+ 0 0 45 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.924 108.5 53.0 -57.5 -45.3 28.7 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.949 111.7 43.8 -57.5 -51.7 29.3 8.2 14.4 75 75 A V H X S+ 0 0 32 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.942 114.2 49.8 -60.7 -47.4 28.2 4.6 14.1 76 76 A R H X S+ 0 0 116 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.909 109.5 52.0 -62.5 -33.6 25.2 5.1 16.3 77 77 A G H X S+ 0 0 3 -4,-2.7 4,-0.7 -5,-0.3 -1,-0.2 0.935 109.1 50.5 -68.1 -38.3 24.2 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 7,-0.3 0.946 111.0 49.6 -59.1 -47.6 24.4 6.1 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.715 111.6 48.0 -68.6 -19.3 22.2 3.5 12.6 80 80 A R H 3< S+ 0 0 173 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.512 91.8 94.3 -94.4 -9.3 19.7 5.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.2 0.820 101.1 67.5 -87.3 -36.2 22.0 6.1 6.3 85 85 A K H X S+ 0 0 82 -4,-2.8 4,-2.8 -7,-0.3 5,-0.2 0.891 98.5 49.3 -54.0 -47.2 21.1 2.9 7.9 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.863 112.7 50.3 -62.3 -34.5 20.0 1.0 4.8 87 87 A V H >> S+ 0 0 2 -4,-0.4 4,-1.0 -3,-0.2 3,-0.8 0.983 111.4 46.1 -64.9 -54.1 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 35 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.927 110.7 54.9 -51.1 -49.3 25.4 0.9 5.9 89 89 A D H 3< S+ 0 0 77 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.814 106.8 51.7 -56.9 -31.7 23.4 -2.3 6.1 90 90 A S H << S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.686 95.7 87.0 -81.4 -17.6 24.0 -3.0 2.5 91 91 A L S << S- 0 0 5 -3,-1.3 2,-0.1 -4,-1.0 31,-0.0 -0.462 74.4-117.7 -87.5 161.1 27.7 -2.6 2.5 92 92 A D > - 0 0 58 -2,-0.1 4,-1.9 1,-0.0 5,-0.2 -0.268 46.1 -88.7 -80.9 174.2 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.841 122.2 46.8 -58.7 -42.8 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.933 113.5 47.3 -66.7 -46.7 35.6 -2.1 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.836 104.8 61.0 -65.2 -29.3 33.1 0.1 2.8 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.931 102.1 53.6 -60.8 -40.4 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.879 104.0 55.5 -60.1 -38.7 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.887 107.7 48.9 -62.0 -38.1 34.4 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.871 108.6 52.4 -69.3 -38.9 30.9 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.924 107.0 55.0 -62.9 -37.9 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.957 107.4 48.4 -58.3 -48.4 34.7 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 5,-0.4 0.899 113.3 47.1 -61.2 -41.8 32.5 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.903 109.1 55.3 -66.7 -37.5 30.1 10.8 8.9 104 104 A F H < S+ 0 0 30 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 116.1 36.9 -60.4 -42.4 32.9 11.4 11.3 105 105 A Q H < S+ 0 0 60 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 133.5 20.3 -74.6 -44.6 34.1 14.4 9.2 106 106 A M H X S- 0 0 53 -4,-2.6 4,-0.7 -5,-0.2 -3,-0.2 0.537 102.9-114.6-109.9 -7.1 30.9 15.9 8.0 107 107 A G H X - 0 0 29 -4,-2.3 4,-2.4 -5,-0.4 5,-0.3 0.120 34.1 -78.5 86.2 151.6 28.2 14.8 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 128.6 50.9 -55.5 -39.9 25.3 12.7 9.8 109 109 A T H > S+ 0 0 119 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.923 107.9 52.1 -66.8 -42.9 23.3 15.4 8.2 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-0.8 1,-0.2 -2,-0.2 0.957 114.2 41.5 -56.0 -58.7 26.0 16.3 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.8 1,-0.3 -1,-0.2 0.875 106.0 61.8 -60.9 -42.0 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 9 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.817 96.0 67.9 -53.8 -26.5 22.6 12.1 4.5 113 113 A G T << S+ 0 0 53 -4,-1.2 2,-1.6 -3,-0.8 3,-0.3 0.567 73.7 84.9 -69.9 -12.1 22.7 14.9 1.9 114 114 A F <> + 0 0 42 -3,-2.8 4,-2.7 1,-0.2 5,-0.3 -0.294 57.1 158.7 -89.1 55.5 24.6 12.8 -0.7 115 115 A T H > + 0 0 82 -2,-1.6 4,-1.6 1,-0.3 -1,-0.2 0.869 65.0 44.3 -46.2 -53.7 21.4 11.4 -1.9 116 116 A N H > S+ 0 0 90 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.877 114.1 47.9 -64.2 -41.5 22.4 10.4 -5.3 117 117 A S H > S+ 0 0 2 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 108.3 56.0 -67.6 -38.7 25.6 8.8 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.878 106.4 51.1 -58.1 -40.1 24.0 6.9 -1.5 119 119 A R H X S+ 0 0 119 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.933 109.6 50.0 -67.2 -38.4 21.7 5.4 -3.9 120 120 A M H <>S+ 0 0 25 -4,-1.9 5,-2.0 2,-0.2 4,-0.3 0.899 110.4 48.8 -67.2 -39.6 24.5 4.4 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.942 108.1 54.4 -64.1 -42.2 26.3 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.921 108.9 49.5 -56.3 -37.8 23.3 1.0 -2.2 123 123 A Q T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.425 111.8-121.4 -79.6 -0.9 23.0 -0.4 -5.8 124 124 A K T < 5 + 0 0 96 -3,-2.1 2,-1.3 -4,-0.3 -3,-0.2 0.771 62.9 145.3 63.3 31.7 26.7 -1.5 -5.8 125 125 A R >< + 0 0 111 -5,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.720 22.2 174.3 -98.7 77.7 27.6 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.4 2,-0.2 5,-0.2 0.907 68.2 46.4 -56.4 -51.4 31.0 1.5 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 115.1 47.8 -62.0 -41.1 32.5 3.4 -10.4 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 110.3 51.3 -69.3 -38.8 29.5 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.913 107.6 54.0 -63.0 -38.1 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.910 109.1 47.4 -64.6 -38.6 32.9 7.3 -7.0 131 131 A V H X S+ 0 0 86 -4,-1.9 4,-0.7 -5,-0.2 3,-0.3 0.942 112.4 49.4 -68.1 -42.1 32.5 9.7 -9.8 132 132 A N H >< S+ 0 0 39 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.867 107.5 54.2 -62.7 -38.3 29.4 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.863 100.6 62.2 -65.7 -30.5 31.1 11.6 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-1.8 -3,-0.3 -1,-0.2 0.716 86.5 76.5 -66.3 -24.9 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 155 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.2 -0.489 80.9 97.8 -87.0 69.9 31.4 16.3 -7.6 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.996 84.5-116.2-151.2 154.1 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.893 115.7 63.3 -54.8 -40.1 32.5 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.959 105.1 42.3 -51.0 -50.1 34.0 17.9 0.0 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.4 50.6 -65.4 -40.4 36.1 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.5 40.7 -68.4 -34.8 37.1 20.1 -3.7 141 141 A Q H < S+ 0 0 100 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.875 131.6 21.5 -82.5 -38.4 38.1 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 -0.588 72.8 161.8-128.6 67.1 39.9 18.1 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.811 69.2 51.4 -58.5 -39.5 40.8 16.3 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.940 116.0 40.2 -69.3 -41.7 43.5 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.937 114.8 52.7 -69.6 -43.5 41.3 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.931 107.2 53.3 -57.5 -42.0 38.3 12.5 -0.2 147 147 A K H X S+ 0 0 93 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.877 107.7 51.1 -60.0 -38.9 40.3 10.5 -2.7 148 148 A R H X S+ 0 0 68 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.921 113.4 43.9 -65.8 -42.5 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.897 113.5 51.0 -67.2 -42.2 37.7 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.895 107.9 51.8 -63.6 -41.0 36.4 7.4 -2.5 151 151 A T H X S+ 0 0 36 -4,-2.6 4,-2.9 1,-0.2 6,-0.3 0.854 106.8 55.6 -64.1 -33.1 39.0 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.904 110.4 43.7 -66.1 -40.0 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.5 49.1 -70.9 -40.2 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.924 126.1 24.0 -64.0 -46.6 35.3 2.0 -5.3 155 155 A T H < S- 0 0 43 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.667 84.7-138.0 -95.0 -26.5 37.5 -0.9 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.723 71.9 100.9 70.0 21.4 36.4 -2.2 -1.2 157 157 A T S S- 0 0 45 -6,-0.3 3,-0.3 -5,-0.1 -1,-0.3 -0.796 80.8-118.3-125.8 173.1 40.0 -2.7 -0.1 158 158 A W S >> S+ 0 0 45 -2,-0.3 3,-2.7 1,-0.2 4,-0.6 0.204 73.4 121.8 -95.6 13.7 42.3 -0.6 2.2 159 159 A D G >4 + 0 0 96 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.827 65.6 59.1 -46.5 -41.1 44.7 0.1 -0.6 160 160 A A G 34 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.661 108.6 48.0 -64.6 -18.8 44.4 3.9 -0.4 161 161 A Y G <4 0 0 20 -3,-2.7 -1,-0.3 -13,-0.1 -2,-0.2 0.468 360.0 360.0-103.4 -1.7 45.6 3.6 3.1 162 162 A K << 0 0 175 -3,-1.4 -2,-0.2 -4,-0.6 -3,-0.1 0.804 360.0 360.0-107.1 360.0 48.6 1.3 2.7