==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-00 1G0Q . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,M.L.QUILLIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 7.3 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.5 43.6 -1.8 9.0 2 2 A N > - 0 0 72 156,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.946 360.0 -85.9-154.3 171.6 40.4 -0.7 10.8 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.870 123.8 50.1 -53.8 -41.4 38.3 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 113.4 43.9 -65.2 -44.3 40.4 3.7 14.1 5 5 A E H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.867 114.2 53.9 -65.6 -35.5 43.7 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.948 111.3 41.7 -64.2 -52.0 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.4 0.860 109.2 59.4 -67.0 -33.8 40.7 7.9 10.9 8 8 A R H X S+ 0 0 97 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.880 107.9 47.7 -62.2 -34.7 44.0 8.4 12.8 9 9 A I H < S+ 0 0 50 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.949 116.2 42.7 -69.0 -48.3 45.7 8.6 9.4 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.814 126.9 29.7 -67.9 -36.3 43.1 11.1 8.0 11 11 A E H < S- 0 0 43 -4,-2.9 19,-0.3 -5,-0.2 -3,-0.2 0.729 90.7-155.3 -98.3 -27.3 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.1 -0.170 27.0 -83.2 75.0-173.2 46.3 13.0 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.973 43.1 172.2-135.9 121.3 46.9 13.7 16.5 14 14 A R E -A 28 0A 150 14,-1.7 14,-2.0 -2,-0.4 4,-0.1 -0.998 16.9-165.4-130.7 128.6 47.3 17.1 18.2 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.421 73.5 62.7 -92.5 -0.5 47.4 17.5 21.9 16 16 A K E S-C 57 0B 95 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.913 101.2 -85.1-124.3 151.7 46.9 21.3 21.9 17 17 A I E + 0 0 14 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.241 59.3 166.1 -52.7 134.1 44.0 23.2 20.6 18 18 A Y E -A 26 0A 25 8,-3.1 8,-3.4 -4,-0.1 2,-0.4 -0.885 37.2-103.5-143.2 174.6 44.2 23.8 16.8 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.878 32.7-140.4-104.4 135.3 42.2 25.0 13.9 20 20 A D > - 0 0 50 4,-2.6 3,-2.0 -2,-0.4 -1,-0.1 -0.057 43.1 -77.2 -78.8-170.9 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.748 133.8 48.4 -60.8 -26.1 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.313 123.4-102.0 -94.8 2.8 37.7 25.0 7.9 23 23 A G S < S+ 0 0 36 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.577 75.0 141.3 88.1 13.7 39.2 27.2 10.6 24 24 A Y - 0 0 80 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.710 59.5-101.5 -97.6 145.6 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-2.6 11,-0.4 9,-1.3 -0.372 54.4 161.0 -61.1 127.6 38.7 24.9 16.9 26 26 A T E -AB 18 32A 2 -8,-3.4 -8,-3.1 6,-0.2 2,-0.3 -0.895 18.5-170.2-141.6 167.7 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 -12,-0.2 -0.981 50.8 4.7-155.2 164.3 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.0 -14,-1.7 -2,-0.3 2,-1.0 -0.381 122.8 -7.4 66.2-131.5 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 -17,-0.1 -0.657 128.2 -51.7-103.9 75.1 42.1 13.2 16.7 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.735 84.4 160.7 68.8 24.2 39.7 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-2.2 -4,-1.7 1,-0.0 2,-0.2 -0.655 32.9-142.9 -81.0 102.8 37.5 16.2 17.8 32 32 A L E -B 26 0A 75 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.415 20.5-178.9 -65.2 127.6 35.6 19.5 16.9 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.888 58.7 -23.3 -93.8 -47.5 35.2 21.7 19.9 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.973 33.9-139.9-164.6 153.8 33.2 24.6 18.5 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.504 74.2 112.1 -92.7 -8.5 32.4 26.5 15.4 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.380 73.4-132.7 -69.4 141.0 32.7 29.7 17.3 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.398 76.1 105.1 -73.8 6.1 35.5 32.0 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.800 56.0-160.4-100.0 122.8 36.3 32.4 20.2 39 39 A L H > S+ 0 0 60 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.877 96.0 53.3 -61.4 -36.7 39.3 30.6 21.8 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 106.2 51.3 -68.7 -36.0 37.8 30.9 25.2 41 41 A A H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 110.8 51.2 -64.0 -36.7 34.7 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.909 108.9 49.1 -63.1 -44.4 36.8 26.6 22.7 43 43 A K H X S+ 0 0 63 -4,-3.0 4,-2.3 1,-0.2 11,-0.2 0.894 109.3 53.3 -65.4 -35.3 38.7 26.2 25.9 44 44 A S H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 108.9 48.3 -64.5 -42.5 35.4 26.1 27.8 45 45 A E H X S+ 0 0 64 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.910 110.2 53.7 -63.0 -40.0 34.1 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.948 108.4 47.6 -60.7 -49.5 37.4 21.4 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 5,-1.3 0.912 113.1 48.8 -59.5 -40.4 37.2 21.5 29.9 48 48 A K H <5S+ 0 0 141 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.861 111.8 49.6 -67.0 -36.5 33.6 20.4 29.8 49 49 A A H <5S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 120.4 34.8 -69.9 -38.2 34.5 17.5 27.4 50 50 A I H <5S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.753 103.7-125.6 -87.3 -33.1 37.4 16.3 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.2 0.784 76.1 77.0 89.4 29.2 36.0 17.0 32.8 52 52 A R S - 0 0 1 -2,-0.9 3,-1.2 -11,-0.2 -1,-0.2 0.692 34.7-140.1 -96.7 -24.0 42.8 22.0 31.0 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.747 72.8 -67.9 71.4 11.5 44.5 25.1 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.577 113.3 100.5 80.4 9.2 44.0 23.9 26.2 57 57 A V B < -C 16 0B 60 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.991 46.8-178.3-130.5 134.3 46.3 20.9 26.4 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.786 25.1-108.7-126.1 171.2 45.3 17.3 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.499 31.8-107.6 -94.2 169.4 47.1 14.0 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 121.0 54.0 -60.6 -41.0 47.2 11.2 24.8 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.904 108.7 48.5 -59.7 -43.8 45.0 9.1 26.9 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.910 109.6 52.7 -64.0 -43.1 42.4 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.921 109.8 48.9 -59.2 -43.4 42.7 12.3 23.2 64 64 A E H X S+ 0 0 79 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.822 107.5 54.6 -66.5 -33.0 42.0 8.6 22.7 65 65 A K H X S+ 0 0 137 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.951 109.6 46.0 -68.1 -44.8 39.0 8.7 25.0 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.889 113.4 52.4 -61.5 -38.8 37.4 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.938 107.5 49.7 -62.7 -46.9 38.3 9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.940 113.5 46.9 -56.6 -48.5 36.7 6.4 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.917 111.5 51.8 -60.1 -44.5 33.5 8.4 22.0 70 70 A D H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 109.0 48.3 -63.2 -39.3 33.4 10.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.932 112.2 49.2 -67.6 -44.5 33.7 6.9 16.6 72 72 A D H X S+ 0 0 87 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.938 111.5 49.8 -59.5 -44.9 30.9 5.2 18.6 73 73 A A H X S+ 0 0 47 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.912 109.0 53.1 -62.3 -40.2 28.7 8.3 18.2 74 74 A A H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.963 111.8 44.7 -59.3 -50.3 29.4 8.2 14.4 75 75 A V H X S+ 0 0 34 -4,-2.7 4,-2.2 1,-0.2 3,-0.3 0.952 114.2 48.7 -57.5 -50.8 28.3 4.6 14.2 76 76 A R H X S+ 0 0 112 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.864 108.0 55.6 -60.4 -33.3 25.3 5.3 16.3 77 77 A G H X S+ 0 0 6 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.906 106.8 49.9 -65.0 -41.9 24.4 8.3 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.3 -3,-0.3 7,-0.4 0.942 110.1 50.3 -61.3 -48.1 24.4 6.2 11.1 79 79 A L H 3< S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.752 110.4 48.3 -68.0 -22.5 22.2 3.5 12.5 80 80 A R H 3< S+ 0 0 177 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.484 93.0 94.8 -93.0 -5.0 19.6 5.9 13.8 81 81 A N S+ 0 0 134 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.850 121.0 39.4 -83.6 -35.2 18.7 7.5 5.1 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.4 1,-0.2 3,-0.3 0.857 101.1 68.2 -83.1 -37.0 22.0 6.2 6.3 85 85 A K H X S+ 0 0 81 -4,-3.1 4,-2.4 -7,-0.4 5,-0.2 0.882 99.0 48.9 -52.8 -45.6 21.1 3.0 8.0 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.858 111.5 50.3 -66.6 -32.8 20.0 1.1 4.9 87 87 A V H X S+ 0 0 1 -4,-0.6 4,-0.8 -3,-0.3 3,-0.5 0.957 111.3 47.6 -67.5 -50.6 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.936 109.4 53.7 -55.7 -47.1 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 78 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.833 107.5 52.7 -59.3 -30.6 23.5 -2.3 6.2 90 90 A S H 3< S+ 0 0 37 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.642 96.8 89.6 -79.7 -14.8 24.0 -3.0 2.5 91 91 A L S << S- 0 0 5 -3,-1.3 2,-0.0 -4,-0.8 31,-0.0 -0.519 74.2-119.2 -89.2 155.4 27.7 -2.5 2.6 92 92 A D > - 0 0 55 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.232 44.3 -92.5 -77.1 172.1 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.880 121.6 48.1 -59.0 -43.6 33.0 -4.2 6.1 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.960 114.0 46.3 -63.5 -47.8 35.6 -2.1 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.821 105.5 60.5 -64.5 -30.2 33.1 0.2 2.7 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.930 102.4 53.8 -61.2 -40.8 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.890 104.7 53.9 -60.1 -40.8 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.880 108.6 48.9 -61.8 -38.5 34.5 4.6 4.5 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.898 109.5 51.7 -68.4 -40.8 30.9 5.7 5.4 100 100 A I H X S+ 0 0 10 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.914 108.1 53.9 -60.1 -39.6 31.8 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.959 107.9 47.9 -60.4 -50.1 34.8 8.2 8.1 102 102 A M H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.880 113.3 49.4 -59.4 -37.9 32.6 10.5 6.0 103 103 A V H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.900 108.2 52.4 -68.7 -38.8 30.2 10.8 9.0 104 104 A F H < S+ 0 0 30 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.911 115.9 42.1 -62.2 -40.1 32.9 11.5 11.4 105 105 A Q H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.923 131.9 15.2 -74.8 -48.6 34.2 14.3 9.2 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.460 103.2-110.2-113.7 1.9 31.0 16.0 8.1 107 107 A G H X - 0 0 31 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.146 33.5 -82.8 85.4 152.8 28.2 14.8 10.3 108 108 A E H > S+ 0 0 61 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.900 127.6 53.5 -60.8 -41.5 25.3 12.6 9.7 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.917 108.2 50.5 -60.1 -45.7 23.2 15.4 8.2 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.951 115.3 41.2 -58.6 -53.2 26.0 16.3 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.885 105.9 62.5 -64.6 -39.9 26.4 12.8 4.6 112 112 A A H 3< S+ 0 0 8 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.714 95.5 66.9 -58.2 -18.3 22.6 12.2 4.5 113 113 A G T << S+ 0 0 54 -3,-1.0 2,-1.5 -4,-0.8 -1,-0.3 0.580 74.6 85.8 -77.9 -12.8 22.6 15.0 1.9 114 114 A F <> + 0 0 40 -3,-2.4 4,-2.8 1,-0.2 5,-0.3 -0.326 56.6 158.7 -85.7 54.3 24.5 12.9 -0.7 115 115 A T H > + 0 0 89 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.861 66.5 41.5 -45.1 -57.8 21.3 11.4 -1.9 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.879 115.3 50.8 -63.9 -39.4 22.3 10.3 -5.3 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.915 109.1 52.0 -64.3 -43.9 25.6 8.9 -4.2 118 118 A L H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.897 108.7 51.5 -59.6 -42.8 23.9 7.0 -1.4 119 119 A R H X S+ 0 0 116 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.937 110.4 47.7 -62.1 -43.0 21.5 5.4 -3.9 120 120 A M H <>S+ 0 0 26 -4,-2.1 5,-2.6 2,-0.2 4,-0.3 0.863 111.2 50.7 -68.0 -34.7 24.4 4.3 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.926 108.6 52.2 -67.3 -41.4 26.3 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.878 110.2 48.1 -61.6 -34.8 23.3 1.0 -2.2 123 123 A Q T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.425 113.6-120.0 -83.3 -2.2 22.9 -0.4 -5.7 124 124 A K T < 5 + 0 0 97 -3,-1.5 2,-1.1 -4,-0.3 -3,-0.2 0.803 62.4 148.2 64.6 35.7 26.6 -1.4 -5.7 125 125 A R >< + 0 0 116 -5,-2.6 4,-2.7 1,-0.2 5,-0.2 -0.711 19.1 173.6-100.4 76.3 27.4 0.9 -8.7 126 126 A W H > S+ 0 0 52 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.904 70.4 44.1 -54.1 -54.5 30.9 1.6 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 114.9 49.3 -65.2 -37.3 32.3 3.5 -10.5 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 110.7 49.6 -69.4 -38.4 29.2 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.915 106.9 56.6 -64.0 -38.5 29.1 6.5 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.910 107.5 47.0 -60.0 -41.6 32.8 7.5 -7.2 131 131 A V H X S+ 0 0 93 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.940 114.6 48.0 -66.1 -42.9 32.2 10.0 -10.0 132 132 A N H >< S+ 0 0 40 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.885 106.8 54.4 -66.7 -38.9 29.2 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.875 102.2 60.4 -64.5 -31.1 30.9 11.7 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-1.8 -5,-0.2 -1,-0.2 0.719 84.7 79.7 -69.7 -19.5 33.6 13.8 -6.6 135 135 A K S << S+ 0 0 166 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.521 81.0 97.8 -87.2 71.0 31.1 16.4 -7.6 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.998 83.8-117.3-156.6 156.7 31.0 18.1 -4.2 137 137 A R H > S+ 0 0 156 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.933 115.2 61.3 -58.0 -44.2 32.3 20.8 -2.1 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 105.8 44.8 -47.1 -50.6 33.8 18.1 0.1 139 139 A Y H 4 S+ 0 0 58 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.912 114.4 48.3 -63.6 -45.4 36.0 16.8 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 115.8 43.3 -67.1 -32.9 37.1 20.2 -3.8 141 141 A Q H < S+ 0 0 103 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 130.9 20.9 -82.4 -37.2 38.0 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.568 73.5 161.5-130.3 70.1 39.8 18.1 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.852 70.0 51.2 -61.1 -40.8 40.8 16.3 -2.3 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.950 115.7 41.6 -66.5 -42.7 43.4 14.0 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 114.8 51.4 -67.9 -42.8 41.2 12.7 1.8 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.913 107.2 54.4 -60.7 -39.5 38.2 12.5 -0.5 147 147 A K H X S+ 0 0 92 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.871 106.7 51.6 -61.5 -37.2 40.3 10.6 -3.0 148 148 A R H X S+ 0 0 56 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.928 112.5 44.7 -64.4 -44.7 41.1 8.0 -0.3 149 149 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.913 113.1 51.3 -65.2 -44.3 37.5 7.5 0.7 150 150 A I H X S+ 0 0 15 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.897 109.5 49.3 -59.7 -43.8 36.4 7.4 -2.9 151 151 A T H X S+ 0 0 35 -4,-2.1 4,-2.7 1,-0.2 6,-0.4 0.860 108.5 54.6 -64.4 -37.2 39.0 4.7 -3.8 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 111.4 43.9 -63.7 -42.3 37.9 2.7 -0.8 153 153 A F H < S+ 0 0 3 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.859 115.3 50.0 -71.1 -34.4 34.3 2.7 -2.0 154 154 A R H < S+ 0 0 97 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.939 125.3 23.4 -68.5 -47.3 35.4 1.9 -5.5 155 155 A T H < S- 0 0 48 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.642 85.2-136.6 -95.6 -24.7 37.6 -1.0 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.727 72.5 101.9 70.8 21.0 36.4 -2.3 -1.4 157 157 A T S S- 0 0 44 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.796 80.9-118.4-129.3 174.2 40.0 -2.6 -0.2 158 158 A W S >> S+ 0 0 41 -2,-0.3 3,-2.4 1,-0.2 4,-1.1 0.171 72.4 121.5 -96.4 13.4 42.4 -0.6 2.0 159 159 A D G >4 + 0 0 92 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.814 66.6 59.0 -47.5 -40.3 44.8 0.1 -0.8 160 160 A A G 34 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.716 112.7 40.4 -65.7 -19.3 44.4 3.9 -0.4 161 161 A Y G <4 S+ 0 0 2 -3,-2.4 2,-0.3 -13,-0.1 -1,-0.3 0.533 86.1 109.2-106.7 -10.5 45.6 3.7 3.1 162 162 A K S << S+ 0 0 101 -4,-1.1 2,-0.4 -3,-0.6 0, 0.0 -0.614 83.5 23.9 -75.3 131.5 48.3 1.1 2.7 163 163 A N 0 0 174 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.750 360.0 360.0 117.2 -68.5 51.6 2.8 3.2 164 164 A L 0 0 106 -2,-0.4 -2,-0.2 -4,-0.2 -3,-0.1 0.663 360.0 360.0 -44.2 360.0 50.5 5.8 5.3