==== 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 1C61 . 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) . 8657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 7 4.3 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 . 84 51.9 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 1 0 1 2 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 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 0.000 360.0 360.0 360.0 156.2 43.5 -1.7 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.897 360.0 -82.1-155.4 177.2 40.3 -0.7 10.7 3 3 A I H > S+ 0 0 29 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.848 124.8 52.0 -57.0 -39.8 38.2 2.4 11.2 4 4 A F H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 113.6 41.9 -64.9 -48.5 40.2 3.6 14.1 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.836 113.7 56.0 -66.4 -36.2 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.968 112.1 38.3 -60.8 -53.3 42.0 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.834 109.1 62.6 -69.4 -26.0 40.7 7.9 10.9 8 8 A R H X S+ 0 0 105 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.878 107.5 46.7 -67.4 -31.1 43.8 8.2 13.0 9 9 A I H < S+ 0 0 87 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.936 115.4 42.9 -70.6 -46.5 45.6 8.5 9.7 10 10 A D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.851 125.6 30.9 -72.2 -31.4 43.3 11.0 8.2 11 11 A E H < S- 0 0 45 -4,-2.5 19,-0.4 -5,-0.2 -1,-0.2 0.674 91.6-156.5 -97.7 -24.3 42.9 13.2 11.2 12 12 A G < - 0 0 22 -4,-1.5 2,-0.3 -5,-0.3 -1,-0.1 -0.163 24.4 -82.2 73.8-165.0 46.3 12.9 12.9 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 43.0 171.7-140.5 117.5 46.9 13.5 16.7 14 14 A R E -A 28 0A 140 14,-1.8 14,-2.2 -2,-0.3 4,-0.1 -0.993 19.3-161.8-132.3 131.3 47.4 16.9 18.4 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.481 74.3 59.5 -87.6 -7.5 47.5 17.4 22.1 16 16 A K E S-C 57 0B 118 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.891 101.5 -83.6-120.5 153.4 47.0 21.1 22.0 17 17 A I E + 0 0 4 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.250 58.8 169.5 -52.2 138.0 44.0 23.1 20.7 18 18 A Y E -A 26 0A 22 8,-3.3 8,-3.0 -4,-0.1 2,-0.5 -0.886 35.1-106.3-142.5 174.8 44.4 23.6 16.9 19 19 A K E -A 25 0A 118 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.875 32.3-139.4-106.7 139.3 42.4 24.8 14.0 20 20 A D > - 0 0 48 4,-3.1 3,-2.0 -2,-0.5 -1,-0.1 -0.025 42.5 -75.9 -81.2-169.2 41.2 22.3 11.5 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.762 134.7 47.7 -62.0 -23.6 41.1 22.7 7.6 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.369 124.4-102.4 -94.3 -0.8 38.0 25.1 7.9 23 23 A G S < S+ 0 0 36 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.573 74.0 143.0 92.1 13.7 39.6 27.1 10.7 24 24 A Y - 0 0 72 1,-0.1 -4,-3.1 9,-0.0 -1,-0.3 -0.737 58.4-103.5 -97.2 147.9 37.7 25.6 13.6 25 25 A Y E +AB 19 34A 37 9,-0.7 8,-2.9 11,-0.4 9,-1.5 -0.443 53.9 159.1 -67.1 126.0 39.0 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.3 6,-0.3 2,-0.3 -0.890 19.8-165.5-142.3 162.9 39.7 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 2,-0.2 -0.973 52.8 1.3-148.7 160.8 41.8 19.0 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.8 -2,-0.3 2,-0.9 -0.433 123.3 -5.1 70.0-129.1 43.1 15.3 19.7 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.695 128.3 -52.6-101.5 69.1 42.1 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.806 84.2 159.2 70.3 28.4 39.8 15.5 14.8 31 31 A H E < -B 27 0A 31 -4,-2.0 -4,-1.6 32,-0.0 -1,-0.2 -0.700 32.6-145.6 -86.8 99.9 37.6 16.3 17.8 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.324 18.8-177.8 -62.3 134.2 35.9 19.6 16.9 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.864 58.9 -16.6-100.5 -40.5 35.3 21.8 19.9 34 34 A T E -B 25 0A 28 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.972 34.5-141.6-164.1 152.7 33.5 24.8 18.4 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.479 76.2 110.2 -89.7 -7.6 32.7 26.7 15.3 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.414 73.5-132.6 -74.4 147.6 33.2 29.9 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.552 77.3 104.0 -71.6 -14.0 36.1 32.3 16.7 38 38 A S > - 0 0 53 1,-0.2 4,-1.6 -13,-0.0 5,-0.1 -0.625 54.3-165.6 -82.9 122.0 36.8 32.4 20.4 39 39 A L H > S+ 0 0 48 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.889 95.1 57.3 -71.4 -34.2 39.7 30.5 21.9 40 40 A N H > S+ 0 0 114 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 105.6 47.8 -62.4 -37.8 38.1 31.0 25.2 41 41 A A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.871 110.3 52.1 -68.5 -35.1 35.0 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.926 109.2 51.2 -67.6 -40.9 37.0 26.5 22.7 43 43 A K H X S+ 0 0 61 -4,-3.0 4,-2.2 2,-0.2 11,-0.3 0.893 108.2 51.1 -63.4 -36.0 38.7 26.2 26.0 44 44 A S H X S+ 0 0 72 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.961 111.5 47.7 -67.7 -48.6 35.4 26.1 27.8 45 45 A E H X S+ 0 0 68 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.908 110.9 52.6 -59.6 -42.5 34.1 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 5,-0.3 0.931 109.8 45.2 -61.1 -47.4 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 40 -4,-2.2 4,-2.3 1,-0.2 5,-1.1 0.874 113.2 53.7 -64.5 -33.9 37.3 21.4 29.9 48 48 A K H <5S+ 0 0 144 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.867 110.6 45.1 -65.0 -41.1 33.6 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.864 120.2 41.0 -74.8 -27.4 34.3 17.5 27.5 50 50 A I H <5S- 0 0 34 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.700 100.7-125.5 -92.7 -29.9 37.3 16.4 29.6 51 51 A G T <5S+ 0 0 69 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.809 79.1 64.5 92.6 14.5 36.0 16.9 33.0 52 52 A R S - 0 0 3 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.701 31.9-142.6 -88.3 -19.6 42.9 21.6 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.810 72.2 -60.3 63.0 23.0 44.3 25.0 30.0 56 56 A G T 3 S+ 0 0 4 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.537 117.7 95.5 83.5 8.8 44.0 23.8 26.3 57 57 A V B < -C 16 0B 69 -3,-1.2 2,-0.2 -41,-0.2 -41,-0.2 -0.995 48.5-178.0-132.7 137.4 46.2 20.8 26.4 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.817 26.8-106.7-129.0 169.7 45.2 17.1 27.0 59 59 A T > - 0 0 67 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.484 34.3-106.4 -92.9 166.7 47.0 13.8 27.3 60 60 A K H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 120.8 52.9 -58.3 -43.0 47.1 11.0 24.7 61 61 A D H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 108.1 48.0 -59.1 -47.3 44.8 8.9 26.7 62 62 A E H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 111.7 51.9 -62.8 -39.8 42.2 11.7 27.0 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -34,-0.4 0.888 109.9 48.3 -62.9 -39.0 42.5 12.3 23.3 64 64 A E H X S+ 0 0 69 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.836 108.6 56.3 -70.8 -28.4 41.9 8.5 22.6 65 65 A K H X S+ 0 0 139 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.948 108.1 45.0 -68.7 -46.7 38.9 8.7 24.9 66 66 A L H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.904 112.6 53.7 -61.2 -38.9 37.3 11.4 23.0 67 67 A F H X S+ 0 0 13 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.933 106.3 50.5 -62.8 -46.1 38.1 9.6 19.8 68 68 A N H X S+ 0 0 86 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.936 111.9 49.2 -57.3 -43.2 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.910 111.1 48.8 -61.6 -46.6 33.4 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.865 110.7 49.6 -63.8 -35.4 33.3 10.2 18.5 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.961 112.0 48.4 -66.4 -48.0 33.6 7.0 16.5 72 72 A D H X S+ 0 0 96 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.942 111.3 50.2 -54.2 -49.5 30.9 5.4 18.5 73 73 A A H X S+ 0 0 61 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.882 107.5 54.3 -59.3 -38.1 28.7 8.4 18.0 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.955 111.4 45.4 -63.1 -46.9 29.4 8.4 14.2 75 75 A V H X S+ 0 0 34 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.948 113.8 48.7 -59.3 -49.6 28.2 4.7 14.0 76 76 A R H X S+ 0 0 124 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.891 108.0 54.5 -64.9 -33.7 25.2 5.4 16.1 77 77 A G H X S+ 0 0 10 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.955 109.5 48.2 -63.2 -43.2 24.3 8.4 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 7,-0.4 0.954 110.2 51.4 -56.9 -51.1 24.3 6.2 10.8 79 79 A L H 3< S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.807 112.4 45.9 -63.4 -24.4 22.2 3.5 12.4 80 80 A R H 3< S+ 0 0 176 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.3 0.597 92.1 94.9 -93.4 -9.3 19.6 6.0 13.5 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.2 2,-0.1 3,-0.5 0.892 99.7 65.9 -84.5 -42.8 22.0 6.2 6.0 85 85 A K H X S+ 0 0 97 -4,-3.2 4,-3.2 -7,-0.4 5,-0.2 0.888 97.9 51.3 -49.5 -48.2 21.2 2.9 7.7 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.859 111.9 48.1 -64.6 -29.9 20.0 1.0 4.6 87 87 A V H > S+ 0 0 3 -4,-0.5 4,-0.7 -3,-0.5 3,-0.2 0.955 113.2 47.4 -72.5 -44.9 23.1 1.9 2.7 88 88 A Y H >< S+ 0 0 27 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.935 109.9 51.8 -61.0 -50.7 25.3 1.0 5.5 89 89 A D H 3< S+ 0 0 77 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.813 106.8 55.9 -60.5 -24.9 23.6 -2.3 6.1 90 90 A S H 3< S+ 0 0 40 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.640 95.8 87.9 -79.1 -12.3 24.0 -3.2 2.4 91 91 A L S << S- 0 0 7 -3,-1.5 31,-0.0 -4,-0.7 30,-0.0 -0.569 76.3-115.8 -93.1 157.3 27.7 -2.7 2.4 92 92 A D > - 0 0 58 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.164 45.4 -94.0 -73.5 172.3 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.815 120.8 48.7 -61.9 -36.2 32.9 -4.1 6.1 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.4 62,-0.2 -1,-0.2 0.921 111.5 48.5 -71.8 -45.6 35.5 -2.1 4.4 95 95 A R H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.881 106.1 59.1 -62.3 -36.7 33.1 0.0 2.5 96 96 A R H X S+ 0 0 79 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.901 99.6 58.0 -59.6 -35.2 31.2 0.6 5.8 97 97 A A H X S+ 0 0 6 -4,-1.2 4,-2.6 1,-0.2 -1,-0.3 0.904 101.5 54.8 -60.8 -40.1 34.4 2.1 7.1 98 98 A A H X S+ 0 0 3 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.898 109.0 47.8 -58.5 -42.3 34.4 4.6 4.3 99 99 A L H X S+ 0 0 5 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.905 108.7 53.1 -69.3 -36.3 30.9 5.7 5.2 100 100 A I H X S+ 0 0 10 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.942 107.4 52.8 -64.1 -40.0 31.8 6.0 8.8 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.938 109.3 48.4 -59.4 -45.7 34.9 8.3 7.9 102 102 A M H X S+ 0 0 9 -4,-2.1 4,-4.1 2,-0.2 5,-0.3 0.918 112.7 47.6 -60.4 -44.3 32.7 10.7 5.9 103 103 A V H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.934 110.3 52.3 -63.2 -44.5 30.1 10.9 8.7 104 104 A F H < S+ 0 0 32 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.940 118.0 39.7 -57.2 -41.6 32.9 11.5 11.2 105 105 A Q H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.935 133.9 15.7 -74.8 -51.3 34.2 14.3 8.9 106 106 A M H < S- 0 0 55 -4,-4.1 4,-0.5 -5,-0.2 -3,-0.2 0.506 103.3-113.5-109.1 0.5 31.1 16.0 7.7 107 107 A G X - 0 0 32 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.195 32.9 -80.6 80.1 161.6 28.3 14.8 10.0 108 108 A E H > S+ 0 0 68 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.869 127.1 53.0 -59.5 -45.4 25.2 12.7 9.4 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.913 109.1 48.8 -60.7 -46.8 23.3 15.4 7.9 110 110 A G H >4 S+ 0 0 30 -4,-0.5 3,-0.8 1,-0.2 -2,-0.2 0.949 115.4 41.7 -61.7 -52.4 25.9 16.3 5.5 111 111 A V H >< S+ 0 0 1 -4,-2.7 3,-2.4 1,-0.2 -1,-0.2 0.869 106.5 63.0 -63.3 -38.2 26.5 12.8 4.2 112 112 A A H 3< S+ 0 0 10 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.786 95.1 66.1 -59.0 -21.0 22.7 12.1 4.2 113 113 A G T << S+ 0 0 52 -4,-0.9 2,-1.7 -3,-0.8 -1,-0.3 0.622 74.2 88.1 -74.3 -13.4 22.6 14.8 1.6 114 114 A F <> + 0 0 41 -3,-2.4 4,-2.6 1,-0.2 5,-0.3 -0.357 53.3 159.6 -85.7 59.7 24.6 12.8 -1.0 115 115 A T H > + 0 0 81 -2,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.875 66.8 46.3 -47.4 -53.7 21.5 11.2 -2.3 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.925 114.3 45.1 -62.6 -47.4 22.8 10.2 -5.6 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 110.9 56.8 -65.8 -34.0 26.1 8.6 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.915 108.2 46.0 -60.0 -47.4 24.1 6.9 -1.6 119 119 A R H X S+ 0 0 122 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.937 112.5 49.2 -63.5 -44.6 21.9 5.2 -4.1 120 120 A M H <>S+ 0 0 20 -4,-2.1 5,-2.6 1,-0.2 4,-0.5 0.930 112.6 50.0 -60.7 -41.1 24.8 4.2 -6.4 121 121 A L H ><5S+ 0 0 10 -4,-2.9 3,-2.0 1,-0.2 -1,-0.2 0.954 108.9 49.9 -61.8 -48.4 26.5 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.887 111.6 50.1 -57.2 -36.2 23.4 0.9 -2.4 123 123 A Q T 3<5S- 0 0 96 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.505 112.7-120.5 -80.6 -3.1 23.2 -0.4 -6.0 124 124 A K T < 5 + 0 0 101 -3,-2.0 2,-1.1 -4,-0.5 -3,-0.2 0.776 63.9 145.7 66.4 33.8 26.9 -1.5 -5.9 125 125 A R >< + 0 0 112 -5,-2.6 4,-2.2 1,-0.2 5,-0.2 -0.741 21.7 173.2-101.5 74.8 27.7 0.7 -8.9 126 126 A W H > + 0 0 54 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.892 67.2 45.6 -57.4 -52.3 31.2 1.5 -7.6 127 127 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 114.8 50.0 -63.2 -35.5 32.8 3.5 -10.3 128 128 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 109.9 49.6 -65.3 -43.4 29.7 5.5 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.916 109.5 54.9 -60.7 -40.4 29.5 6.3 -7.0 130 130 A A H X S+ 0 0 13 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.899 107.6 46.6 -62.4 -42.9 33.1 7.2 -7.2 131 131 A V H X S+ 0 0 91 -4,-2.0 4,-0.5 1,-0.2 3,-0.2 0.917 114.8 47.5 -69.2 -41.1 32.7 9.8 -9.9 132 132 A N H >< S+ 0 0 42 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.899 106.2 57.0 -66.5 -37.6 29.7 11.3 -8.2 133 133 A L H 3< S+ 0 0 5 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.846 101.4 57.6 -63.2 -32.3 31.3 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.1 2,-1.6 -5,-0.2 -1,-0.3 0.643 85.7 81.5 -75.8 -13.5 34.1 13.6 -6.3 135 135 A K S << S+ 0 0 160 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.562 79.5 97.6 -87.1 68.0 31.7 16.2 -7.6 136 136 A S S > S- 0 0 19 -2,-1.6 4,-1.7 1,-0.1 5,-0.2 -0.995 86.0-115.9-154.2 157.7 31.5 17.9 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.916 114.8 64.9 -62.1 -37.4 32.9 20.7 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 8,-0.2 0.938 104.9 42.5 -46.0 -51.6 34.3 17.9 0.1 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 114.7 49.8 -68.4 -39.3 36.6 16.6 -2.6 140 140 A N H < S+ 0 0 106 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 116.5 41.6 -72.1 -31.3 37.7 20.1 -3.8 141 141 A Q H < S+ 0 0 109 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.865 132.2 19.2 -83.7 -40.6 38.6 21.3 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 -0.587 73.7 159.8-126.3 68.8 40.3 18.1 1.0 143 143 A P H > + 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.876 67.6 53.6 -62.7 -43.2 41.2 16.2 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.946 116.6 38.9 -59.9 -46.0 43.9 13.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 114.4 53.0 -67.8 -46.0 41.7 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.918 107.9 53.9 -55.3 -44.7 38.6 12.5 -0.2 147 147 A K H X S+ 0 0 83 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.860 107.6 48.4 -59.4 -42.8 40.6 10.4 -2.7 148 148 A R H X S+ 0 0 71 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.919 115.4 44.5 -63.8 -42.5 41.6 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.883 113.3 50.9 -70.6 -36.0 38.0 7.5 1.2 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.870 109.5 49.1 -68.4 -39.9 36.6 7.4 -2.3 151 151 A T H X S+ 0 0 37 -4,-2.1 4,-2.4 -5,-0.2 6,-0.4 0.842 109.5 54.3 -66.6 -35.1 39.0 4.6 -3.3 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.938 112.1 43.2 -60.2 -46.1 38.1 2.7 -0.2 153 153 A A H < S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.5 48.3 -68.5 -34.0 34.4 2.9 -1.1 154 154 A R H < S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.904 123.9 26.4 -73.5 -45.7 35.0 2.1 -4.7 155 155 A T H < S- 0 0 42 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.607 87.2-134.8 -95.1 -17.9 37.3 -0.9 -4.3 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.753 73.7 102.4 66.4 19.2 36.3 -2.4 -0.9 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.830 77.8-123.7-127.6 172.6 40.1 -2.7 -0.0 158 158 A W > + 0 0 36 -2,-0.3 3,-2.6 1,-0.2 4,-0.4 0.207 69.6 121.9 -99.1 18.5 42.5 -0.7 2.2 159 159 A D G > + 0 0 103 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.787 67.4 59.1 -51.4 -37.0 45.0 -0.1 -0.6 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.631 105.6 51.3 -67.9 -16.3 44.7 3.7 -0.3 161 161 A Y G < 0 0 21 -3,-2.6 -1,-0.2 -13,-0.1 -2,-0.2 0.449 360.0 360.0-104.6 7.1 45.9 3.4 3.3 162 162 A K < 0 0 176 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.824 360.0 360.0-106.0 360.0 48.9 1.3 2.7