==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-05 2B6Z . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.D.COLLINS,M.L.QUILLIN,B.W.MATTHEWS,S.M.GRUNER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8710.0 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 . 6 3.7 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 0 1 1 2 0 0 1 1 0 0 0 0 0 0 2 0 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.0 43.5 -1.9 9.2 2 2 A N > - 0 0 64 156,-0.0 4,-2.6 95,-0.0 3,-0.3 -0.938 360.0 -79.9-158.1 175.9 40.3 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.810 125.2 53.2 -54.2 -38.7 38.1 2.5 11.2 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.919 113.5 41.4 -64.2 -46.5 40.3 3.7 14.2 5 5 A E H > S+ 0 0 101 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.877 114.6 53.2 -67.8 -37.8 43.6 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.969 112.7 42.7 -60.9 -56.3 41.9 4.9 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.801 110.0 57.2 -61.2 -32.1 40.6 8.0 10.9 8 8 A R H X S+ 0 0 102 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.891 109.7 46.1 -68.3 -35.9 43.9 8.4 12.8 9 9 A I H < S+ 0 0 86 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.940 117.5 42.4 -67.4 -48.7 45.7 8.6 9.4 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.800 126.6 31.2 -66.9 -32.7 43.2 11.1 7.9 11 11 A E H < S- 0 0 42 -4,-2.2 19,-0.3 -5,-0.2 -2,-0.2 0.714 90.3-153.8-104.9 -24.1 42.9 13.2 11.0 12 12 A G < - 0 0 24 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.1 -0.165 25.3 -89.4 72.4-176.7 46.3 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.980 40.9 173.8-134.8 125.3 46.7 13.7 16.5 14 14 A R E -A 28 0A 140 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -1.000 18.7-161.7-131.2 132.8 47.3 17.1 18.1 15 15 A L E S+ 0 0 70 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.392 75.1 61.8 -92.4 3.7 47.4 17.6 21.9 16 16 A K E S-C 57 0B 99 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.948 100.8 -86.6-133.9 141.9 46.8 21.4 21.8 17 17 A I E + 0 0 17 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.155 57.8 169.2 -49.1 140.0 43.7 23.3 20.4 18 18 A Y E -A 26 0A 27 8,-2.7 8,-3.0 6,-0.1 2,-0.4 -0.947 37.1-104.3-149.5 168.1 44.2 23.9 16.6 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.836 35.0-136.4-101.4 135.8 42.1 25.1 13.7 20 20 A D > - 0 0 47 4,-2.6 3,-1.8 -2,-0.4 -1,-0.1 -0.041 41.9 -79.3 -82.0-169.6 40.9 22.5 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.735 135.4 50.5 -63.2 -24.9 41.0 22.8 7.5 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.476 123.6-104.2 -88.8 -5.1 37.8 25.0 7.8 23 23 A G S < S+ 0 0 40 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.619 75.2 141.3 88.0 14.7 39.3 27.2 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.782 60.7-102.9 -97.8 139.8 37.3 25.6 13.4 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-2.6 -2,-0.4 9,-1.2 -0.362 54.2 162.9 -60.5 127.1 38.7 25.0 16.8 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.7 6,-0.3 2,-0.3 -0.888 17.1-172.6-143.3 155.1 39.6 21.3 17.1 27 27 A I E > + B 0 31A 0 4,-1.8 4,-1.9 -2,-0.3 2,-0.2 -0.980 50.7 3.7-145.8 164.1 41.7 19.1 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-0.7 -0.425 122.9 -6.8 75.0-130.1 42.8 15.4 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.655 127.9 -52.8-106.3 73.1 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.7 2,-1.0 -19,-0.3 -2,-0.2 0.730 84.5 160.8 67.7 25.5 39.6 15.4 14.7 31 31 A H E < -B 27 0A 31 -4,-1.9 -4,-1.8 32,-0.0 -1,-0.2 -0.686 32.7-143.7 -81.2 102.4 37.4 16.3 17.7 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.424 19.3-177.2 -64.9 127.2 35.6 19.5 16.7 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.3 -7,-0.2 0.883 58.5 -27.9 -95.5 -42.4 35.1 21.8 19.7 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.3 -0.940 35.6-137.1-171.8 148.0 33.1 24.7 18.3 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.576 74.2 109.9 -88.8 -8.6 32.5 26.6 15.1 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.368 74.3-129.9 -68.5 142.1 32.6 29.9 17.1 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.516 77.2 106.8 -69.5 -3.7 35.7 32.2 16.4 38 38 A S > - 0 0 48 1,-0.2 4,-1.1 2,-0.1 -2,-0.1 -0.663 54.2-164.2 -90.3 128.6 36.3 32.5 20.2 39 39 A L H > S+ 0 0 72 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.819 95.1 55.8 -76.8 -30.5 39.2 30.7 21.6 40 40 A N H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 104.4 52.7 -65.4 -44.4 37.7 31.1 25.1 41 41 A A H > S+ 0 0 32 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.830 111.0 48.8 -53.3 -34.8 34.5 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.912 109.3 50.4 -74.7 -45.7 36.8 26.5 22.6 43 43 A K H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 11,-0.3 0.863 111.1 50.0 -57.7 -37.4 38.7 26.1 25.9 44 44 A S H X S+ 0 0 70 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.846 109.2 49.7 -76.5 -32.8 35.4 26.0 27.7 45 45 A E H X S+ 0 0 67 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.907 111.8 52.2 -67.0 -38.0 34.0 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.925 107.8 48.2 -63.0 -47.6 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 43 -4,-2.3 4,-2.5 1,-0.2 5,-1.3 0.912 114.4 48.0 -58.3 -43.3 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.833 111.0 49.9 -65.5 -36.7 33.5 20.4 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.891 122.9 32.2 -70.6 -34.5 34.3 17.5 27.2 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.680 103.5-124.9-100.2 -24.3 37.2 16.3 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.824 76.1 66.9 81.2 33.3 35.9 17.2 32.9 52 52 A R S - 0 0 10 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.822 30.3-149.1 -89.7 -30.6 42.7 21.9 30.6 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.830 74.7 -61.1 50.3 35.0 44.1 25.2 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.445 117.2 101.2 83.2 0.7 43.9 24.0 25.9 57 57 A V B < +C 16 0B 73 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.969 44.6 177.3-122.0 137.9 46.2 21.0 26.4 58 58 A I - 0 0 4 -43,-2.3 2,-0.1 -2,-0.4 -30,-0.1 -0.880 26.3-111.8-130.6 163.1 45.2 17.4 26.8 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.410 32.5-104.5 -87.9 171.3 47.0 14.1 27.1 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 120.1 52.2 -60.1 -51.4 47.2 11.2 24.7 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 110.7 48.0 -51.5 -46.2 44.8 9.0 26.8 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 110.2 52.0 -65.1 -38.1 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -34,-0.4 0.921 111.7 47.9 -62.7 -42.2 42.6 12.4 23.1 64 64 A E H X S+ 0 0 75 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.791 107.6 54.6 -69.9 -32.5 41.9 8.7 22.7 65 65 A K H X S+ 0 0 141 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.924 109.9 46.0 -64.1 -46.1 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 112.0 54.0 -57.7 -42.7 37.3 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.940 107.3 48.4 -59.5 -54.8 38.2 9.6 19.7 68 68 A N H X S+ 0 0 90 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.896 112.8 49.6 -47.3 -45.7 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 95 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.876 111.4 48.4 -65.8 -40.8 33.4 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.860 110.7 49.2 -71.3 -37.7 33.3 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.972 113.5 48.2 -65.1 -47.3 33.7 6.9 16.5 72 72 A D H X S+ 0 0 86 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.903 112.0 48.7 -55.2 -46.3 30.9 5.3 18.6 73 73 A A H X S+ 0 0 47 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.877 109.2 53.1 -68.2 -37.0 28.6 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.960 111.0 46.7 -57.0 -54.3 29.3 8.3 14.3 75 75 A V H >X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 3,-0.6 0.945 114.1 46.7 -51.1 -53.6 28.2 4.6 14.1 76 76 A R H 3X S+ 0 0 118 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.871 109.2 55.3 -64.3 -36.2 25.1 5.1 16.3 77 77 A G H 3< S+ 0 0 3 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.3 0.800 107.6 50.5 -60.1 -32.1 24.2 8.2 14.2 78 78 A I H X< S+ 0 0 3 -4,-1.5 3,-1.1 -3,-0.6 7,-0.5 0.946 110.7 48.1 -69.6 -47.8 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.767 111.7 49.0 -68.4 -24.7 22.1 3.4 12.5 80 80 A R T 3< S+ 0 0 178 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.483 92.3 95.3 -90.8 -4.8 19.4 5.9 13.8 81 81 A N <> - 0 0 20 -3,-1.1 4,-2.7 -4,-0.3 -4,-0.0 -0.781 65.9-150.7 -96.3 128.5 19.3 7.7 10.4 82 82 A A T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.826 97.4 41.2 -66.8 -32.5 16.6 6.5 8.1 83 83 A K T > S+ 0 0 137 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.781 120.2 41.1 -82.1 -32.2 18.6 7.4 5.0 84 84 A L H > S+ 0 0 8 -6,-0.2 4,-2.8 -7,-0.2 3,-0.4 0.892 102.6 65.4 -86.8 -40.0 22.0 6.1 6.1 85 85 A K H X S+ 0 0 89 -4,-2.7 4,-2.7 -7,-0.5 5,-0.2 0.883 100.0 49.6 -54.4 -50.8 21.0 2.9 7.8 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.869 115.3 45.7 -56.8 -38.0 19.7 1.1 4.6 87 87 A V H X S+ 0 0 9 -4,-0.5 4,-0.7 -3,-0.4 3,-0.3 0.931 112.9 49.4 -68.1 -47.7 22.9 2.0 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.900 108.6 51.8 -59.3 -45.8 25.1 1.0 5.6 89 89 A D H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 106.8 56.0 -62.1 -30.7 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.614 94.1 88.2 -75.9 -17.8 24.0 -3.1 2.4 91 91 A L S << S- 0 0 4 -3,-1.1 31,-0.0 -4,-0.7 2,-0.0 -0.549 75.9-118.9 -87.5 153.1 27.7 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-1.7 1,-0.0 5,-0.1 -0.187 44.1 -90.6 -73.1 176.2 30.6 -5.0 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.878 121.4 48.7 -66.7 -43.3 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.925 113.8 45.8 -64.4 -42.2 35.6 -2.3 4.5 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.767 104.2 63.0 -78.3 -23.9 33.2 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.889 100.2 55.4 -57.6 -39.4 31.2 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.872 103.6 53.4 -61.6 -39.8 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.905 107.4 51.6 -64.0 -39.8 34.4 4.5 4.5 99 99 A A H X S+ 0 0 17 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.893 109.7 48.6 -62.9 -40.9 30.8 5.5 5.4 100 100 A I H X S+ 0 0 9 -4,-1.9 4,-3.3 2,-0.2 -1,-0.2 0.882 108.3 55.6 -63.9 -42.4 31.8 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.938 109.6 45.7 -54.0 -52.2 34.9 8.2 7.9 102 102 A M H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.883 114.5 47.2 -57.8 -46.2 32.6 10.5 5.9 103 103 A V H X S+ 0 0 10 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.945 110.2 53.2 -63.9 -47.3 30.0 10.8 8.8 104 104 A F H < S+ 0 0 29 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.3 40.4 -50.0 -46.7 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 133.1 16.8 -71.3 -44.1 34.1 14.3 9.1 106 106 A M H X S- 0 0 52 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.503 102.7-113.2-122.5 1.8 30.9 15.9 8.0 107 107 A G H X - 0 0 33 -4,-3.2 4,-1.9 -5,-0.3 5,-0.2 0.135 36.4 -81.5 81.4 158.9 28.1 14.8 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.843 128.2 56.2 -69.0 -30.8 25.1 12.6 9.5 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.906 107.5 49.5 -63.8 -46.2 23.2 15.5 8.0 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-0.8 2,-0.2 -2,-0.2 0.927 113.7 43.4 -57.8 -50.5 26.0 16.3 5.6 111 111 A V H >< S+ 0 0 6 -4,-1.9 3,-3.1 1,-0.3 -2,-0.2 0.921 105.5 62.1 -66.1 -41.9 26.4 12.7 4.3 112 112 A A H 3< S+ 0 0 24 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.715 95.0 65.5 -58.8 -21.3 22.6 12.2 4.1 113 113 A G T << S+ 0 0 58 -3,-0.8 -1,-0.3 -4,-0.8 3,-0.3 0.418 78.0 83.2 -74.2 -1.3 22.8 15.1 1.5 114 114 A F <> + 0 0 35 -3,-3.1 4,-2.8 1,-0.2 3,-0.3 -0.279 57.8 152.8 -95.4 47.4 24.8 12.8 -0.8 115 115 A T H > + 0 0 87 -2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.791 67.2 44.3 -45.0 -50.7 21.4 11.3 -2.1 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.893 115.1 48.0 -69.0 -40.7 22.6 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.899 110.9 53.0 -61.6 -45.8 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 20 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.918 107.9 49.6 -56.8 -49.0 24.0 6.8 -1.6 119 119 A R H X S+ 0 0 119 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.891 113.2 47.4 -58.5 -41.4 21.6 5.3 -4.1 120 120 A M H <>S+ 0 0 27 -4,-1.9 5,-2.4 2,-0.2 4,-0.4 0.824 109.9 52.0 -71.4 -33.7 24.5 4.2 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.922 109.1 51.8 -66.5 -39.8 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.887 110.1 46.9 -63.8 -35.7 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 90 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.471 113.3-121.7 -84.3 -3.3 23.0 -0.6 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.1 2,-1.3 -4,-0.4 -3,-0.2 0.795 60.7 150.0 66.1 33.8 26.8 -1.4 -5.8 125 125 A R >< + 0 0 121 -5,-2.4 4,-2.0 1,-0.2 -1,-0.2 -0.725 19.8 174.4 -91.3 79.8 27.6 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.879 68.2 46.3 -66.8 -45.9 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 114.1 49.2 -65.0 -41.5 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.859 109.9 50.4 -67.1 -36.1 29.6 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.916 108.1 54.5 -65.6 -41.2 29.4 6.4 -7.0 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.911 110.3 46.2 -53.6 -48.7 33.1 7.3 -7.1 131 131 A V H X S+ 0 0 89 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.935 115.5 44.9 -63.5 -49.4 32.5 9.8 -10.0 132 132 A N H >< S+ 0 0 41 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.887 109.8 55.1 -64.2 -37.9 29.4 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 1,-0.2 -1,-0.2 0.870 102.0 59.3 -60.5 -36.7 31.2 11.6 -4.8 134 134 A A H 3< S+ 0 0 29 -4,-1.5 2,-1.6 1,-0.2 -1,-0.2 0.680 87.7 77.6 -67.7 -20.0 34.0 13.6 -6.5 135 135 A K S << S+ 0 0 156 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 -0.542 81.0 96.5 -89.4 73.3 31.5 16.3 -7.6 136 136 A S S > S- 0 0 17 -2,-1.6 4,-1.9 1,-0.1 5,-0.1 -0.993 84.9-115.5-157.8 151.5 31.3 17.9 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.932 115.7 62.3 -54.5 -44.9 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.885 105.6 43.6 -46.6 -51.2 34.1 18.0 0.2 139 139 A Y H 4 S+ 0 0 54 -6,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.898 114.8 49.3 -65.8 -41.5 36.3 16.6 -2.6 140 140 A N H < S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.857 116.1 42.5 -70.1 -32.8 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 105 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 132.4 18.6 -76.8 -42.8 38.3 21.2 -0.2 142 142 A T S X S+ 0 0 20 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 -0.581 72.7 159.2-129.8 68.5 40.1 18.1 1.0 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.840 70.8 54.2 -64.1 -37.9 41.0 16.1 -2.2 144 144 A N H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.963 116.5 37.9 -62.3 -49.3 43.8 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 115.9 53.1 -66.3 -44.6 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.918 106.9 52.2 -58.0 -48.8 38.4 12.4 -0.2 147 147 A K H X S+ 0 0 102 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.869 107.5 53.1 -53.4 -43.4 40.3 10.3 -2.9 148 148 A R H X S+ 0 0 66 -4,-1.6 4,-1.4 -5,-0.2 12,-0.2 0.913 113.9 41.7 -58.6 -43.8 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.901 114.4 51.2 -71.9 -44.3 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.891 109.5 50.9 -57.4 -43.0 36.4 7.3 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.6 2,-0.2 6,-0.4 0.841 107.8 53.2 -62.8 -38.8 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.912 111.8 44.5 -63.7 -43.0 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 5 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.902 116.4 48.6 -67.8 -38.2 34.3 2.8 -1.7 154 154 A R H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.893 125.9 22.9 -69.0 -41.7 35.4 2.0 -5.2 155 155 A T H < S- 0 0 51 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.707 85.5-134.1-102.4 -27.2 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 15 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.647 72.9 104.9 74.9 16.6 36.5 -2.5 -1.1 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.766 78.4-124.4-121.4 169.1 40.1 -2.7 -0.1 158 158 A W S >> S+ 0 0 39 -2,-0.2 3,-1.9 1,-0.2 4,-0.8 0.142 72.4 120.3 -92.7 15.1 42.4 -0.7 2.3 159 159 A D G >4 + 0 0 94 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.810 64.8 58.9 -53.2 -39.8 44.9 -0.0 -0.5 160 160 A A G 34 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.699 112.3 43.1 -63.6 -17.2 44.6 3.8 -0.4 161 161 A Y G <4 0 0 20 -3,-1.9 -1,-0.2 -13,-0.1 -2,-0.2 0.542 360.0 360.0-106.3 -10.5 45.8 3.6 3.2 162 162 A K << 0 0 178 -4,-0.8 -2,-0.1 -3,-0.8 -3,-0.1 0.881 360.0 360.0 -92.2 360.0 48.6 0.9 2.8