==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-97 247L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8865.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 1 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.7 43.4 -1.9 9.2 2 2 A N > - 0 0 71 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.934 360.0 -81.9-153.5 174.7 40.1 -0.8 10.9 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.839 124.9 51.6 -53.1 -38.0 38.0 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 112.5 42.9 -69.1 -47.1 40.1 3.6 14.2 5 5 A E H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.863 113.9 54.1 -65.2 -35.0 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.959 111.8 41.7 -64.8 -50.9 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.869 108.8 60.1 -68.5 -31.2 40.6 7.9 10.9 8 8 A R H X S+ 0 0 101 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.904 108.5 46.2 -63.8 -32.8 43.8 8.3 12.9 9 9 A I H < S+ 0 0 51 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.934 116.0 44.3 -73.1 -42.3 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.831 124.7 30.1 -70.9 -33.7 43.1 11.0 8.2 11 11 A E H < S- 0 0 46 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.651 91.4-152.4-102.2 -20.9 42.7 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.2 -0.232 24.4 -86.0 76.2-170.7 46.1 13.1 12.9 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.965 42.9 171.7-144.6 122.7 46.6 13.7 16.6 14 14 A R E -A 28 0A 147 14,-1.6 14,-2.5 -2,-0.4 4,-0.1 -0.999 19.9-162.0-135.2 130.1 47.1 17.1 18.3 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.441 74.3 59.7 -91.7 -2.2 47.1 17.7 22.0 16 16 A K E S-C 57 0B 106 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.915 101.2 -84.1-123.7 151.0 46.6 21.5 21.9 17 17 A I E + 0 0 19 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.274 58.4 169.7 -52.9 134.2 43.6 23.3 20.5 18 18 A Y E -A 26 0A 28 8,-2.7 8,-3.4 -4,-0.1 2,-0.5 -0.893 35.5-104.8-140.5 171.3 44.1 23.9 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.856 33.9-138.4-104.1 134.4 42.0 25.0 13.8 20 20 A D > - 0 0 50 4,-2.6 3,-1.6 -2,-0.5 -1,-0.1 -0.024 39.9 -78.7 -77.0-169.2 40.8 22.5 11.3 21 21 A T T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.756 135.2 46.8 -64.2 -25.5 40.7 22.7 7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.414 124.3-105.0 -95.2 0.9 37.6 24.9 7.7 23 23 A G S < S+ 0 0 37 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.622 73.8 140.2 86.1 17.2 39.2 27.0 10.4 24 24 A Y - 0 0 78 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.742 60.7-101.4 -97.2 141.9 37.2 25.6 13.4 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-2.7 11,-0.4 9,-1.2 -0.384 54.7 160.5 -64.6 131.2 38.7 25.0 16.8 26 26 A T E -AB 18 32A 3 -8,-3.4 -8,-2.7 6,-0.2 2,-0.3 -0.855 18.7-166.9-142.6 168.6 39.4 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.2 -2,-0.3 2,-0.2 -0.971 51.5 4.7-155.4 164.9 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.8 -0.403 122.7 -6.7 67.8-130.6 42.8 15.5 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.673 127.7 -52.0-104.8 71.3 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.772 83.0 160.9 69.9 30.5 39.6 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.4 1,-0.0 -1,-0.2 -0.693 32.5-143.5 -89.1 104.6 37.3 16.4 17.7 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.373 17.6-175.4 -64.2 129.3 35.4 19.5 16.7 33 33 A L E - 0 0 13 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.856 59.2 -32.0 -93.8 -43.4 35.0 21.8 19.7 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.934 36.7-130.8-172.3 152.6 32.9 24.6 18.2 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.470 75.8 112.9 -89.1 -1.2 32.2 26.5 15.0 36 36 A S S S- 0 0 38 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.426 71.9-132.8 -77.0 143.7 32.5 29.8 17.0 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.634 76.1 105.7 -67.6 -11.5 35.3 32.1 16.4 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.605 53.9-164.2 -81.7 119.4 36.0 32.5 20.1 39 39 A L H > S+ 0 0 72 -2,-0.6 4,-2.5 2,-0.2 5,-0.2 0.813 95.1 55.7 -66.0 -30.4 39.0 30.7 21.6 40 40 A N H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 105.9 49.6 -67.7 -46.1 37.4 31.2 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.886 111.1 51.2 -59.5 -37.4 34.3 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 109.6 48.6 -68.3 -40.2 36.5 26.7 22.6 43 43 A K H X S+ 0 0 48 -4,-2.5 4,-2.1 1,-0.2 11,-0.3 0.872 111.2 51.4 -67.3 -33.9 38.4 26.3 25.8 44 44 A S H X S+ 0 0 73 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.942 109.3 48.3 -67.7 -46.7 35.1 26.2 27.6 45 45 A E H X S+ 0 0 68 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.894 110.7 54.1 -59.6 -38.8 33.7 23.5 25.4 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.942 108.3 47.2 -61.6 -46.1 37.0 21.6 25.9 47 47 A D H X>S+ 0 0 38 -4,-2.1 4,-2.0 1,-0.2 5,-1.2 0.881 111.2 52.0 -63.6 -37.2 36.7 21.7 29.7 48 48 A K H <5S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.896 112.3 45.8 -64.1 -44.4 33.1 20.6 29.5 49 49 A A H <5S+ 0 0 45 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.864 120.8 37.2 -68.7 -37.2 34.1 17.6 27.3 50 50 A I H <5S- 0 0 33 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.695 103.5-126.2 -88.8 -26.1 37.1 16.5 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.796 76.4 71.0 85.0 27.8 35.6 17.3 32.8 52 52 A R S - 0 0 9 -2,-0.9 3,-0.8 -11,-0.3 -1,-0.2 0.749 34.2-138.9 -92.4 -27.1 42.4 21.9 30.7 55 55 A N T 3 S- 0 0 112 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.868 72.8 -60.7 66.4 37.1 43.9 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.580 118.8 100.4 67.3 15.1 43.5 24.1 26.0 57 57 A V B < +C 16 0B 65 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.993 45.3 177.0-131.8 137.8 45.8 21.1 26.5 58 58 A I - 0 0 6 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.880 27.4-108.1-133.0 168.7 44.9 17.4 27.0 59 59 A T > - 0 0 62 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.500 33.1-105.6 -93.4 168.0 46.7 14.2 27.3 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 121.0 51.4 -57.1 -44.2 47.0 11.3 24.8 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 108.8 51.4 -62.4 -40.1 44.6 9.2 26.8 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.920 109.5 50.6 -63.2 -41.7 42.1 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.915 110.5 49.2 -61.7 -41.7 42.3 12.4 23.2 64 64 A E H X S+ 0 0 75 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.840 107.7 54.3 -68.5 -28.7 41.7 8.7 22.7 65 65 A K H X S+ 0 0 137 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.953 108.3 47.8 -70.3 -44.1 38.8 8.8 24.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.890 112.0 53.4 -57.6 -40.5 37.2 11.6 22.9 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.946 106.0 50.1 -62.5 -49.4 38.0 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.922 113.1 48.0 -56.6 -42.7 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.916 110.6 51.2 -64.7 -41.7 33.3 8.4 21.9 70 70 A D H X S+ 0 0 33 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.859 110.1 47.4 -66.7 -36.5 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.943 111.9 50.4 -69.7 -44.7 33.4 6.9 16.5 72 72 A D H X S+ 0 0 100 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.952 110.7 50.4 -56.3 -46.3 30.7 5.3 18.6 73 73 A A H X S+ 0 0 62 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.878 108.7 51.3 -60.9 -37.9 28.5 8.4 18.0 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.937 111.6 47.0 -65.6 -46.2 29.0 8.3 14.3 75 75 A V H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.955 114.2 47.3 -58.8 -49.5 28.1 4.7 14.1 76 76 A R H X S+ 0 0 107 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.897 109.6 54.5 -62.0 -35.9 25.0 5.3 16.2 77 77 A G H X S+ 0 0 34 -4,-2.6 4,-1.0 -5,-0.3 3,-0.4 0.913 107.6 48.7 -63.2 -44.3 24.1 8.3 14.2 78 78 A I H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 7,-0.3 0.948 109.5 53.7 -58.8 -48.1 24.2 6.2 10.9 79 79 A L H 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.715 111.9 44.8 -61.2 -24.3 22.0 3.5 12.6 80 80 A R H 3< S+ 0 0 179 -4,-1.2 2,-0.5 -3,-0.4 -1,-0.3 0.578 92.1 96.4 -94.6 -16.2 19.5 6.1 13.5 81 81 A N S+ 0 0 119 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.830 119.9 41.2 -90.1 -35.5 18.6 7.4 4.8 84 84 A A H > S+ 0 0 6 -6,-0.2 4,-2.6 2,-0.1 5,-0.2 0.837 100.9 68.9 -82.4 -35.2 21.9 6.2 5.8 85 85 A K H X S+ 0 0 80 -4,-2.8 4,-2.8 -7,-0.3 5,-0.3 0.931 98.1 49.5 -51.2 -50.5 20.9 3.0 7.6 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.880 113.1 48.2 -61.2 -34.7 19.8 1.1 4.6 87 87 A V H X S+ 0 0 2 -4,-0.6 4,-1.0 2,-0.2 3,-0.5 0.964 110.7 49.7 -69.0 -48.1 23.0 2.0 2.8 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.925 110.0 51.6 -56.8 -45.5 25.2 1.0 5.8 89 89 A D H 3< S+ 0 0 77 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.800 106.8 54.9 -64.9 -26.4 23.4 -2.4 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.717 95.1 86.6 -80.6 -18.7 23.9 -3.1 2.5 91 91 A L S << S- 0 0 6 -4,-1.0 2,-0.0 -3,-0.9 31,-0.0 -0.494 76.9-115.5 -85.8 158.1 27.7 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.234 45.3 -91.7 -76.2 169.6 30.6 -5.0 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.857 122.4 48.1 -57.1 -40.4 32.8 -4.3 6.3 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.6 62,-0.2 3,-0.5 0.957 112.4 47.9 -66.9 -47.4 35.4 -2.2 4.5 95 95 A R H > S+ 0 0 26 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.874 104.6 60.4 -62.9 -36.4 33.0 -0.0 2.7 96 96 A R H X S+ 0 0 78 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.898 101.4 55.0 -56.1 -38.9 31.1 0.5 6.0 97 97 A A H X S+ 0 0 5 -4,-1.3 4,-2.6 -3,-0.5 -1,-0.2 0.906 103.9 54.4 -64.0 -36.7 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.901 107.9 48.8 -62.6 -38.9 34.4 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.905 110.5 51.6 -67.9 -37.1 30.8 5.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.950 106.1 54.8 -63.1 -46.1 31.7 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.928 108.5 48.4 -53.3 -46.6 34.7 8.2 8.0 102 102 A M H X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 5,-0.4 0.923 113.3 47.5 -61.2 -43.7 32.5 10.6 5.9 103 103 A V H X S+ 0 0 18 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.905 109.8 52.0 -66.1 -39.6 30.0 10.9 8.8 104 104 A F H < S+ 0 0 30 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.931 116.5 41.3 -61.7 -41.8 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.933 133.3 15.7 -72.4 -47.4 34.2 14.3 9.1 106 106 A M H X S- 0 0 49 -4,-3.0 4,-1.1 -5,-0.2 -3,-0.2 0.492 96.0-133.8-112.1 -3.0 31.0 16.0 7.9 107 107 A G H >X - 0 0 27 -4,-2.3 4,-2.3 -5,-0.4 3,-0.6 0.109 43.8 -63.1 72.5 171.8 28.3 14.8 10.2 108 108 A E H 3> S+ 0 0 116 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.795 134.8 59.8 -60.4 -30.3 24.8 13.6 9.2 109 109 A T H 34 S+ 0 0 113 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.829 108.6 40.9 -65.9 -39.5 24.2 17.1 7.8 110 110 A G H X< S+ 0 0 23 -4,-1.1 3,-1.6 -3,-0.6 -2,-0.2 0.902 112.2 54.1 -76.9 -43.4 27.0 16.9 5.4 111 111 A V H >< S+ 0 0 7 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.693 94.3 74.8 -66.1 -16.1 26.3 13.3 4.4 112 112 A A G >< S+ 0 0 41 -4,-0.9 3,-0.9 1,-0.3 -1,-0.3 0.793 86.7 58.9 -66.4 -31.8 22.8 14.5 3.7 113 113 A G G < S+ 0 0 71 -3,-1.6 3,-0.3 -4,-0.4 -1,-0.3 0.548 90.8 75.7 -77.3 -0.6 23.9 16.2 0.4 114 114 A F G <> + 0 0 20 -3,-1.2 4,-2.7 1,-0.2 3,-0.4 0.147 54.8 127.6 -98.6 25.0 25.1 12.8 -0.8 115 115 A T H <> S+ 0 0 88 -3,-0.9 4,-2.1 1,-0.3 -1,-0.2 0.880 74.0 44.8 -45.0 -51.6 21.7 11.4 -1.6 116 116 A N H > S+ 0 0 95 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.882 113.3 50.0 -66.0 -37.9 22.5 10.4 -5.1 117 117 A S H > S+ 0 0 3 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.893 108.9 52.9 -66.2 -41.0 25.9 8.9 -4.3 118 118 A L H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.903 105.9 53.8 -60.7 -41.5 24.4 6.9 -1.4 119 119 A R H X S+ 0 0 124 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.908 108.8 48.5 -63.2 -37.1 21.8 5.5 -3.8 120 120 A M H <>S+ 0 0 25 -4,-1.6 5,-2.2 2,-0.2 4,-0.4 0.865 110.3 52.0 -70.7 -33.4 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.934 107.5 51.7 -66.1 -42.1 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.892 109.1 51.2 -60.6 -35.8 23.4 0.9 -2.2 123 123 A Q T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.545 111.5-124.5 -77.5 -6.5 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.5 2,-1.5 -4,-0.4 -3,-0.2 0.765 61.5 145.8 66.8 28.8 26.7 -1.5 -5.7 125 125 A R >< + 0 0 99 -5,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.648 23.1 176.2 -95.5 78.6 27.6 0.5 -8.8 126 126 A W H > + 0 0 49 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.874 68.0 43.2 -55.7 -51.2 31.1 1.2 -7.5 127 127 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 115.4 50.4 -66.3 -38.0 32.7 3.2 -10.4 128 128 A E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.929 109.9 50.1 -64.5 -43.6 29.6 5.2 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.877 107.5 54.6 -59.4 -40.2 29.4 6.1 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.918 108.7 48.7 -61.5 -42.6 33.1 7.1 -7.2 131 131 A V H X S+ 0 0 90 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.942 113.5 46.2 -64.6 -45.2 32.6 9.5 -10.0 132 132 A N H >< S+ 0 0 37 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.900 107.4 56.9 -65.7 -38.6 29.5 11.1 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.859 101.3 58.6 -61.3 -32.2 31.2 11.3 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.7 -3,-0.3 -1,-0.2 0.675 85.8 79.3 -71.3 -19.5 34.0 13.4 -6.5 135 135 A K S << S+ 0 0 161 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.594 81.1 98.5 -87.1 70.5 31.5 16.1 -7.8 136 136 A S S > S- 0 0 18 -2,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.994 84.9-117.0-154.4 157.0 31.3 17.7 -4.4 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.891 114.6 62.3 -61.2 -38.8 32.6 20.5 -2.3 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.929 105.5 44.6 -50.4 -50.4 34.1 17.8 0.0 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.1 48.3 -66.3 -41.0 36.3 16.5 -2.8 140 140 A N H < S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 117.0 42.6 -70.4 -29.2 37.4 20.0 -4.0 141 141 A Q H < S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.835 131.7 19.3 -83.4 -41.3 38.3 21.1 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 -0.576 74.5 160.9-130.0 69.7 40.0 18.0 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.851 69.7 51.7 -61.8 -42.6 41.0 16.1 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.957 115.6 41.2 -65.5 -43.5 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.930 115.3 51.1 -66.3 -46.9 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 -8,-0.2 5,-0.3 0.935 107.1 54.5 -57.5 -42.5 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 97 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.892 107.6 51.1 -58.1 -38.8 40.5 10.3 -2.8 148 148 A R H X S+ 0 0 53 -4,-1.6 4,-1.4 -5,-0.2 12,-0.2 0.930 113.9 42.2 -64.1 -45.0 41.4 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 114.2 51.6 -69.4 -42.4 37.8 7.3 1.0 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.919 108.6 50.8 -60.4 -44.0 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.6 -5,-0.3 6,-0.4 0.874 107.9 55.0 -62.6 -32.7 39.0 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.925 110.5 43.9 -64.7 -46.5 37.9 2.6 -0.4 153 153 A F H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.3 50.1 -66.4 -35.2 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.913 124.0 24.7 -67.3 -46.7 35.4 1.8 -5.2 155 155 A T H < S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.669 85.3-135.2 -96.5 -24.6 37.5 -1.1 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.686 73.9 102.0 74.1 16.2 36.3 -2.5 -1.1 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.796 79.9-121.2-125.7 171.4 40.0 -2.8 -0.0 158 158 A W >> + 0 0 38 -2,-0.3 3,-2.1 1,-0.2 4,-0.7 0.102 69.6 125.2 -98.5 22.8 42.2 -0.7 2.3 159 159 A D G >4 + 0 0 98 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.795 64.8 57.2 -54.1 -34.7 44.7 -0.1 -0.5 160 160 A A G 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.591 108.3 48.8 -72.4 -12.2 44.7 3.7 -0.2 161 161 A Y G <4 S+ 0 0 2 -3,-2.1 3,-0.5 -13,-0.1 2,-0.4 0.530 83.6 103.9-106.2 -7.1 45.7 3.5 3.4 162 162 A K S << S+ 0 0 102 -4,-0.7 0, 0.0 -3,-0.7 0, 0.0 -0.682 84.9 27.6 -80.9 128.6 48.5 1.1 2.9 163 163 A N 0 0 177 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.383 360.0 360.0 114.9 -42.3 51.8 3.0 3.2 164 164 A L 0 0 107 -3,-0.5 -2,-0.2 -4,-0.1 -3,-0.1 0.788 360.0 360.0 -70.3 360.0 50.4 5.8 5.5