==== 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 (O-GLYCOSYL) 06-NOV-95 200L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.BALDWIN,J.XU,O.HAJISEYEDJAVADI,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 7.4 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 . 85 52.5 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 84 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 158.8 43.5 -2.0 8.9 2 2 A N > - 0 0 71 156,-0.0 4,-2.7 1,-0.0 5,-0.2 -0.923 360.0 -81.8-156.5 175.9 40.3 -0.8 10.6 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.869 123.7 51.8 -53.4 -43.8 38.2 2.4 11.2 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 113.6 41.1 -61.7 -53.7 40.4 3.6 14.0 5 5 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.904 114.6 55.0 -63.3 -38.4 43.6 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 112.0 40.7 -60.1 -51.1 42.0 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.4 0.841 109.7 59.7 -70.0 -28.5 40.7 7.9 10.8 8 8 A R H X S+ 0 0 98 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.886 107.8 47.0 -66.8 -31.3 43.9 8.3 12.7 9 9 A I H < S+ 0 0 91 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.942 115.9 43.3 -72.9 -45.9 45.6 8.5 9.3 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.806 125.5 30.6 -67.6 -36.5 43.1 11.0 7.9 11 11 A E H < S- 0 0 44 -4,-2.8 19,-0.3 1,-0.1 -3,-0.2 0.704 90.6-154.9 -96.3 -28.3 42.8 13.3 11.0 12 12 A G < - 0 0 22 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.1 -0.230 25.5 -82.6 76.1-174.4 46.2 13.0 12.6 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.948 43.8 171.4-138.0 117.1 46.8 13.6 16.4 14 14 A R E -A 28 0A 134 14,-1.8 14,-2.1 -2,-0.4 4,-0.1 -0.980 17.6-166.5-126.2 133.7 47.2 17.0 18.0 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.6 12,-0.2 2,-0.4 0.388 72.6 61.8-101.4 1.6 47.3 17.7 21.7 16 16 A K E S-C 57 0B 133 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.931 101.4 -85.6-123.8 149.6 46.9 21.4 21.7 17 17 A I E + 0 0 32 39,-1.8 2,-0.3 -2,-0.4 10,-0.2 -0.231 57.2 175.1 -54.3 138.4 44.0 23.3 20.4 18 18 A Y E -A 26 0A 29 8,-3.2 8,-3.1 -4,-0.1 2,-0.5 -0.917 32.8-109.4-142.4 165.7 44.2 23.9 16.6 19 19 A K E -A 25 0A 112 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.846 36.1-137.1 -97.5 136.2 42.3 25.3 13.7 20 20 A D > - 0 0 54 4,-2.5 3,-1.3 -2,-0.5 -1,-0.1 0.043 39.8 -76.9 -78.9-168.9 41.0 22.8 11.2 21 21 A T T 3 S+ 0 0 111 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.543 135.7 41.6 -64.0 -11.9 41.0 23.0 7.3 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.199 125.7 -94.6-116.5 -0.6 38.0 25.4 7.7 23 23 A G S < S+ 0 0 35 -3,-1.3 2,-0.4 1,-0.3 -2,-0.1 0.571 77.8 138.1 93.8 15.3 39.2 27.6 10.6 24 24 A Y - 0 0 76 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.735 58.7-107.9-100.5 146.6 37.5 25.7 13.4 25 25 A Y E +AB 19 34A 28 9,-0.9 8,-3.4 -2,-0.4 9,-1.2 -0.431 50.6 160.1 -68.6 129.9 39.0 24.9 16.7 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.2 6,-0.3 2,-0.3 -0.879 17.5-171.3-142.7 171.2 39.7 21.3 17.0 27 27 A I E > + B 0 31A 0 4,-1.2 4,-2.3 -2,-0.3 -12,-0.2 -0.962 50.2 6.7-160.8 166.2 41.9 19.0 19.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.8 -2,-0.3 2,-0.9 -0.289 122.1 -7.6 62.1-127.8 43.0 15.4 19.4 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.641 127.7 -50.5-104.9 76.5 42.0 13.3 16.5 30 30 A G T 4 S+ 0 0 17 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.780 84.5 158.4 67.9 29.1 39.7 15.4 14.5 31 31 A H E < -B 27 0A 34 -4,-2.3 -4,-1.2 32,-0.0 2,-0.2 -0.703 33.3-144.8 -91.0 101.6 37.5 16.5 17.5 32 32 A L E -B 26 0A 75 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.448 17.3-175.7 -65.1 126.9 35.8 19.7 16.5 33 33 A L E - 0 0 16 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.923 58.3 -23.1 -90.0 -51.6 35.4 21.9 19.5 34 34 A T E -B 25 0A 27 -9,-1.2 -9,-0.9 2,-0.1 -1,-0.4 -0.993 34.6-137.4-158.5 155.1 33.4 24.8 18.2 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.581 75.4 111.8 -86.8 -10.7 32.5 26.7 15.0 36 36 A S S S- 0 0 38 1,-0.1 -11,-0.3 2,-0.1 6,-0.1 -0.364 73.5-132.8 -69.5 138.6 33.0 29.9 17.0 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.566 77.9 106.1 -65.6 -8.4 35.8 32.3 16.3 38 38 A S > - 0 0 50 1,-0.1 4,-2.3 2,-0.0 -2,-0.1 -0.657 54.1-165.4 -88.7 121.6 36.5 32.4 20.0 39 39 A L H > S+ 0 0 72 -2,-0.5 4,-2.8 2,-0.2 5,-0.1 0.813 96.6 52.0 -66.7 -32.2 39.5 30.6 21.6 40 40 A N H > S+ 0 0 121 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.929 106.8 51.7 -71.5 -42.4 37.9 31.0 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.939 112.3 47.6 -58.2 -42.2 34.8 29.5 23.7 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.898 109.8 51.4 -65.7 -40.8 36.9 26.7 22.5 43 43 A K H X S+ 0 0 70 -4,-2.8 4,-2.5 1,-0.2 11,-0.2 0.943 110.8 49.6 -63.6 -39.2 38.8 26.4 25.8 44 44 A S H X S+ 0 0 71 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.928 109.3 51.2 -62.9 -42.5 35.6 26.2 27.6 45 45 A E H X S+ 0 0 67 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.940 109.5 51.8 -61.3 -43.0 34.3 23.6 25.2 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.905 109.3 47.7 -59.6 -45.7 37.5 21.6 25.8 47 47 A D H X>S+ 0 0 35 -4,-2.5 4,-3.1 1,-0.2 5,-1.3 0.921 111.8 50.2 -63.8 -41.3 37.2 21.6 29.6 48 48 A K H <5S+ 0 0 147 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.873 114.4 45.8 -61.0 -39.9 33.6 20.6 29.5 49 49 A A H <5S+ 0 0 42 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.901 121.7 35.9 -71.0 -42.7 34.5 17.7 27.1 50 50 A I H <5S- 0 0 34 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.748 103.0-126.9 -84.5 -30.7 37.5 16.6 29.2 51 51 A G T <5S+ 0 0 64 -4,-3.1 2,-0.3 -5,-0.3 -3,-0.2 0.811 75.9 69.9 86.5 30.2 36.0 17.3 32.6 52 52 A R S - 0 0 4 -2,-1.0 3,-0.9 -11,-0.2 -1,-0.2 0.789 32.2-144.4 -88.9 -33.8 42.8 22.0 30.6 55 55 A N T 3 S- 0 0 125 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.836 72.3 -64.8 69.7 23.7 44.4 25.2 29.7 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.552 114.6 98.5 74.0 12.7 44.0 24.0 26.0 57 57 A V B < -C 16 0B 43 -3,-0.9 2,-0.2 -41,-0.2 -41,-0.2 -0.990 47.7-176.3-128.8 133.2 46.3 21.0 26.1 58 58 A I - 0 0 6 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.747 25.0-107.1-122.2 174.1 45.2 17.4 26.6 59 59 A T > - 0 0 60 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.604 29.2-110.4 -97.2 165.9 47.0 14.1 27.0 60 60 A K H > S+ 0 0 102 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.905 122.4 51.7 -58.1 -43.4 47.3 11.3 24.5 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.892 109.4 50.4 -62.5 -37.7 45.1 9.2 26.6 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.926 109.1 51.0 -64.2 -44.6 42.6 12.1 26.7 63 63 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -34,-0.4 0.836 109.3 52.0 -58.8 -39.2 42.6 12.4 22.9 64 64 A E H X S+ 0 0 82 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.849 106.6 52.1 -71.1 -32.1 42.0 8.7 22.5 65 65 A K H X S+ 0 0 139 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.917 110.2 47.8 -71.5 -41.6 39.0 8.7 24.8 66 66 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.933 111.9 52.0 -61.4 -42.9 37.4 11.6 22.8 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.920 107.2 51.9 -59.3 -45.0 38.2 9.7 19.6 68 68 A N H X S+ 0 0 89 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.933 111.7 47.4 -57.4 -45.3 36.6 6.5 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.924 110.6 50.3 -63.7 -43.3 33.5 8.4 21.8 70 70 A D H X S+ 0 0 37 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.869 111.2 48.5 -65.0 -38.4 33.3 10.2 18.4 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.957 113.2 48.6 -64.8 -49.6 33.7 6.9 16.5 72 72 A D H X S+ 0 0 77 -4,-2.4 4,-2.3 -5,-0.3 5,-0.3 0.926 111.7 48.7 -56.2 -44.0 31.0 5.4 18.6 73 73 A A H X S+ 0 0 52 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.3 0.901 108.1 55.2 -65.4 -36.8 28.8 8.4 18.1 74 74 A A H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.946 109.5 46.6 -60.0 -49.1 29.4 8.2 14.3 75 75 A V H X S+ 0 0 30 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.948 114.0 46.2 -59.4 -49.0 28.2 4.6 14.1 76 76 A R H X S+ 0 0 100 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.919 107.9 57.2 -67.8 -30.9 25.2 5.2 16.2 77 77 A G H < S+ 0 0 12 -4,-2.6 4,-0.4 -5,-0.3 3,-0.3 0.917 109.4 46.7 -60.7 -38.4 24.3 8.3 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 7,-0.3 0.940 109.6 52.2 -66.1 -49.7 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.613 113.3 46.7 -64.9 -13.7 22.2 3.4 12.6 80 80 A R T 3< S+ 0 0 173 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.3 0.375 91.0 93.2-106.3 -6.1 19.7 6.0 13.7 81 81 A N <> - 0 0 11 -3,-1.4 4,-2.5 -4,-0.4 28,-0.0 -0.762 65.8-148.8 -93.4 133.1 19.5 7.8 10.4 82 82 A A T 4 S+ 0 0 85 -2,-0.5 -1,-0.1 2,-0.2 -4,-0.0 0.831 97.8 42.2 -71.2 -31.8 16.7 6.6 8.1 83 83 A K T > S+ 0 0 109 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.891 120.6 43.8 -80.0 -35.5 18.4 7.4 4.9 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.852 99.3 65.5 -76.1 -42.9 21.8 6.1 6.2 85 85 A K H X S+ 0 0 77 -4,-2.5 4,-3.1 -7,-0.3 5,-0.2 0.884 100.0 50.2 -50.7 -50.6 20.9 2.8 7.9 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.872 111.7 48.9 -62.7 -35.6 19.7 0.9 4.9 87 87 A V H >X S+ 0 0 3 -4,-0.6 3,-0.9 -3,-0.2 4,-0.8 0.975 112.1 47.8 -65.8 -53.0 22.8 1.8 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.925 109.0 53.7 -52.6 -46.8 25.1 0.8 5.7 89 89 A D H 3< S+ 0 0 77 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.802 105.8 55.1 -60.4 -28.9 23.3 -2.4 6.2 90 90 A S H << S+ 0 0 40 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.603 95.5 87.5 -80.7 -12.5 23.8 -3.2 2.5 91 91 A L S << S- 0 0 7 -3,-1.3 2,-0.0 -4,-0.8 31,-0.0 -0.518 75.4-116.0 -92.8 161.2 27.6 -2.8 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.248 46.9 -92.3 -77.4 171.0 30.6 -5.1 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.802 121.3 49.0 -60.3 -37.9 32.9 -4.2 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.6 2,-0.2 3,-0.3 0.949 112.3 46.9 -69.6 -47.8 35.4 -2.1 4.3 95 95 A R H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.864 106.5 59.4 -61.7 -33.7 32.9 0.1 2.6 96 96 A R H X S+ 0 0 77 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.911 102.7 53.5 -59.8 -39.6 31.1 0.5 5.9 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.874 104.4 55.3 -62.6 -37.1 34.3 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.912 108.1 48.6 -63.0 -38.8 34.3 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.917 110.0 50.9 -67.2 -39.8 30.8 5.6 5.3 100 100 A I H X S+ 0 0 10 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.918 107.1 54.7 -63.8 -41.6 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.923 109.6 47.3 -54.2 -44.9 34.8 8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-1.8 4,-3.1 2,-0.2 5,-0.4 0.905 113.0 47.1 -65.2 -45.2 32.5 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.921 110.1 54.6 -65.8 -37.5 30.0 10.8 8.8 104 104 A F H < S+ 0 0 30 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.0 38.3 -59.0 -45.9 32.9 11.4 11.2 105 105 A Q H < S+ 0 0 54 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.890 133.8 16.0 -75.1 -43.8 34.1 14.2 9.1 106 106 A M H X S- 0 0 53 -4,-3.1 4,-0.8 -5,-0.2 -3,-0.2 0.488 101.6-114.6-119.1 1.9 30.9 15.9 8.0 107 107 A G H X - 0 0 29 -4,-2.3 4,-2.6 -5,-0.4 5,-0.2 0.094 34.6 -73.0 85.7 156.5 28.1 14.7 10.1 108 108 A E H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.784 130.1 46.7 -53.7 -41.7 25.0 12.7 9.7 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.936 109.3 51.3 -72.2 -48.9 23.3 15.5 7.8 110 110 A G H >< S+ 0 0 33 -4,-0.8 3,-1.4 1,-0.2 -2,-0.2 0.964 116.3 43.4 -52.8 -52.4 26.1 16.4 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.858 102.1 63.8 -64.7 -35.9 26.3 12.7 4.5 112 112 A A H 3< S+ 0 0 10 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.728 96.2 65.8 -60.3 -17.3 22.6 12.3 4.3 113 113 A G T << S+ 0 0 60 -3,-1.4 3,-0.3 -4,-1.0 -1,-0.3 0.378 76.0 82.1 -83.4 -0.8 23.0 14.9 1.4 114 114 A F <> + 0 0 27 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 -0.266 59.2 146.5 -97.9 46.5 25.0 12.6 -0.8 115 115 A T H > + 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.841 62.8 45.8 -49.8 -51.7 21.7 11.2 -1.8 116 116 A N H > S+ 0 0 90 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.943 115.1 46.3 -63.4 -48.7 22.5 10.4 -5.2 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.858 110.9 54.5 -59.8 -42.3 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 15 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.895 107.4 49.4 -57.8 -48.7 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 138 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.912 111.0 49.5 -63.3 -40.5 21.5 5.4 -3.9 120 120 A M H <>S+ 0 0 32 -4,-2.0 5,-2.2 2,-0.2 -2,-0.2 0.931 110.4 50.8 -62.4 -45.7 24.0 4.3 -6.4 121 121 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.893 105.8 55.6 -61.2 -38.0 26.1 2.6 -3.7 122 122 A Q H 3<5S+ 0 0 97 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.951 108.1 47.6 -59.9 -41.9 23.1 0.9 -2.5 123 123 A Q T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.397 116.7-121.3 -75.2 -0.7 22.7 -0.5 -6.1 124 124 A K T < 5 + 0 0 99 -3,-1.8 2,-1.6 1,-0.2 -3,-0.2 0.700 61.9 149.1 65.2 26.2 26.4 -1.4 -5.9 125 125 A R >< + 0 0 102 -5,-2.2 4,-2.1 1,-0.2 5,-0.3 -0.609 20.8 177.7 -86.7 70.1 27.3 0.8 -8.9 126 126 A W H > + 0 0 43 -2,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.800 68.9 47.1 -45.4 -43.9 30.8 1.5 -7.5 127 127 A D H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 112.3 46.2 -72.2 -42.8 32.1 3.6 -10.4 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.846 112.9 50.9 -70.0 -32.1 29.2 5.9 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.924 108.5 52.5 -69.8 -41.4 28.9 6.5 -7.1 130 130 A A H X S+ 0 0 10 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.927 110.2 47.2 -60.4 -44.6 32.6 7.4 -6.9 131 131 A V H X S+ 0 0 89 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.937 113.3 48.8 -63.2 -47.0 32.3 9.9 -9.7 132 132 A N H >< S+ 0 0 35 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.869 107.1 55.4 -59.6 -39.4 29.2 11.4 -8.1 133 133 A L H 3< S+ 0 0 4 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.909 102.4 58.8 -61.6 -37.5 31.0 11.6 -4.7 134 134 A A H 3< S+ 0 0 27 -4,-1.7 2,-2.0 1,-0.2 -1,-0.2 0.714 86.3 78.6 -64.1 -22.3 33.7 13.6 -6.4 135 135 A K S << S+ 0 0 153 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 -0.455 80.5 98.5 -87.4 67.5 31.4 16.3 -7.5 136 136 A S S > S- 0 0 18 -2,-2.0 4,-2.0 1,-0.1 5,-0.2 -0.991 84.1-116.4-151.5 158.4 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 153 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.921 115.4 63.2 -57.6 -42.4 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 18 1,-0.3 4,-2.3 2,-0.2 8,-0.2 0.933 105.1 41.9 -48.2 -57.2 33.9 18.0 0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.891 115.5 51.4 -62.1 -39.7 36.2 16.6 -2.6 140 140 A N H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.834 113.2 43.5 -68.6 -30.7 37.2 20.1 -3.8 141 141 A Q H < S+ 0 0 99 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 132.7 17.0 -81.9 -39.5 38.2 21.3 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 -0.594 73.2 163.2-132.0 69.3 40.1 18.1 0.8 143 143 A P H > S+ 0 0 52 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.848 70.6 51.2 -56.7 -48.3 40.9 16.2 -2.3 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.938 117.3 40.2 -61.8 -42.8 43.5 13.8 -1.1 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.947 116.1 49.7 -68.7 -46.9 41.5 12.7 1.8 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.893 108.3 56.4 -56.3 -40.8 38.3 12.6 -0.2 147 147 A K H X S+ 0 0 90 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.862 106.4 49.0 -58.5 -42.2 40.2 10.6 -2.8 148 148 A R H X S+ 0 0 71 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.926 113.2 45.5 -67.4 -42.8 41.2 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.890 112.2 51.0 -68.2 -39.4 37.7 7.5 1.1 150 150 A I H X S+ 0 0 12 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.873 109.7 49.9 -65.7 -38.6 36.1 7.4 -2.3 151 151 A T H X S+ 0 0 42 -4,-1.9 4,-2.7 -5,-0.2 6,-0.4 0.876 111.2 49.7 -64.8 -38.3 38.6 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.901 113.2 47.1 -66.4 -41.6 37.8 2.7 -0.4 153 153 A F H < S+ 0 0 4 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 115.6 43.9 -67.2 -42.6 34.2 3.1 -1.0 154 154 A R H < S+ 0 0 88 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.945 125.2 30.0 -67.8 -48.8 34.5 2.2 -4.7 155 155 A T H < S- 0 0 47 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.654 87.7-136.4 -87.7 -24.7 36.8 -0.8 -4.3 156 156 A G S < S+ 0 0 15 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.769 71.5 104.7 67.7 24.8 35.9 -2.2 -0.9 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.862 76.0-125.4-127.5 169.8 39.7 -2.6 -0.2 158 158 A W S > S+ 0 0 44 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 0.152 70.5 120.4 -98.5 13.3 42.2 -0.6 1.9 159 159 A D G > + 0 0 90 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.853 66.3 59.9 -46.6 -44.9 44.6 -0.1 -0.9 160 160 A A G 3 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.707 108.6 46.4 -60.0 -19.1 44.4 3.7 -0.6 161 161 A Y G < 0 0 20 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.429 360.0 360.0-106.1 6.5 45.6 3.5 2.8 162 162 A K < 0 0 164 -3,-2.3 -2,-0.2 -4,-0.4 -3,-0.1 0.791 360.0 360.0-103.9 360.0 48.5 1.1 2.2