==== 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 1C6H . 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) . 8828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 8 4.9 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 . 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 1 0 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 68 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.7 43.3 -1.9 9.2 2 2 A N > - 0 0 69 95,-0.0 4,-2.5 156,-0.0 3,-0.2 -0.891 360.0 -82.5-150.9 175.1 40.1 -0.8 10.9 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.804 123.8 52.2 -53.3 -41.1 38.0 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 112.8 42.8 -65.3 -49.2 40.1 3.6 14.2 5 5 A E H > S+ 0 0 96 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.884 113.8 53.7 -65.0 -35.5 43.4 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.947 113.4 41.3 -60.5 -51.7 41.9 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.4 0.853 108.9 59.2 -67.8 -32.6 40.6 7.8 11.0 8 8 A R H X S+ 0 0 107 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.881 108.8 46.6 -64.0 -31.9 43.7 8.2 13.0 9 9 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.933 115.8 43.7 -73.4 -46.8 45.6 8.5 9.7 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 123.9 33.5 -68.5 -28.5 43.1 11.0 8.2 11 11 A E H < S- 0 0 44 -4,-2.5 19,-0.4 1,-0.2 -1,-0.2 0.661 92.1-152.0-101.5 -24.8 42.7 13.2 11.3 12 12 A G < - 0 0 25 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.2 -0.190 24.2 -87.9 74.6-173.1 46.1 13.1 12.8 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 43.5 171.7-139.5 121.4 46.7 13.6 16.6 14 14 A R E -A 28 0A 141 14,-1.6 14,-2.5 -2,-0.4 4,-0.1 -0.990 20.2-162.5-135.1 128.9 47.2 17.0 18.3 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.481 74.8 61.3 -89.9 -3.4 47.2 17.5 22.0 16 16 A K E S-C 57 0B 139 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.917 101.2 -86.7-122.1 150.1 46.7 21.3 21.9 17 17 A I E + 0 0 30 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.192 58.4 170.0 -51.9 136.6 43.6 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-3.1 8,-3.0 -4,-0.1 2,-0.4 -0.860 35.7-103.4-142.2 172.3 44.2 23.7 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.885 34.2-139.2-103.2 138.5 42.1 24.9 13.8 20 20 A D > - 0 0 48 4,-2.5 3,-1.9 -2,-0.4 -1,-0.1 -0.036 41.5 -77.5 -82.1-168.2 40.9 22.3 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.774 134.8 49.1 -65.1 -23.8 40.8 22.6 7.6 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.386 123.2-104.3 -91.3 2.5 37.7 24.9 7.8 23 23 A G S < S+ 0 0 38 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.620 75.7 140.2 83.6 21.6 39.4 27.1 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.769 60.3-100.8-100.3 143.9 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-3.0 11,-0.4 9,-1.4 -0.403 54.3 158.4 -64.4 130.2 38.7 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.1 6,-0.3 2,-0.3 -0.882 20.1-166.1-143.1 167.7 39.5 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.979 52.6 3.3-152.1 165.6 41.6 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.6 -2,-0.3 2,-1.0 -0.421 122.4 -5.0 69.1-130.3 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.712 127.9 -55.0-103.5 70.6 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.793 82.9 161.3 67.4 26.6 39.6 15.5 14.9 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.7 -20,-0.1 -1,-0.2 -0.698 33.0-142.5 -84.3 106.1 37.3 16.2 17.8 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.398 18.1-174.2 -65.7 129.4 35.6 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.847 58.2 -28.5 -95.6 -41.9 35.1 21.7 19.8 34 34 A T E -B 25 0A 30 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.952 36.4-131.2-169.7 155.7 33.0 24.6 18.3 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.483 76.6 113.0 -88.6 -6.7 32.3 26.6 15.2 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.374 70.3-137.4 -69.6 139.0 32.7 29.7 17.1 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.474 74.1 106.6 -74.9 2.6 35.6 32.0 16.4 38 38 A S > - 0 0 44 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.747 56.6-160.7 -95.1 123.7 36.2 32.4 20.0 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.862 95.2 52.5 -63.2 -37.0 39.2 30.7 21.6 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 106.3 53.2 -67.8 -35.8 37.6 31.0 25.0 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.956 109.9 48.1 -62.1 -45.3 34.5 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.918 111.4 51.0 -60.1 -43.7 36.6 26.5 22.5 43 43 A K H X S+ 0 0 69 -4,-2.6 4,-2.0 2,-0.2 11,-0.2 0.874 109.0 50.5 -64.0 -35.1 38.4 26.2 25.8 44 44 A S H X S+ 0 0 70 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.940 111.4 48.5 -69.0 -44.2 35.2 26.2 27.7 45 45 A E H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.892 109.7 53.9 -62.9 -37.0 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 5,-0.3 0.948 108.3 47.3 -63.5 -44.6 37.1 21.5 26.0 47 47 A D H X>S+ 0 0 37 -4,-2.0 4,-2.7 1,-0.2 5,-1.4 0.895 111.7 51.1 -62.4 -40.0 37.0 21.5 29.7 48 48 A K H <5S+ 0 0 142 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.853 110.8 48.7 -64.3 -39.1 33.4 20.4 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.852 119.9 36.9 -73.0 -30.4 34.2 17.5 27.4 50 50 A I H <5S- 0 0 37 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.771 103.5-125.3 -92.7 -29.7 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.759 77.0 65.5 91.3 26.1 35.8 17.1 32.9 52 52 A R S - 0 0 8 -2,-1.0 3,-0.9 -11,-0.2 -1,-0.2 0.734 34.3-141.4 -92.6 -24.5 42.7 21.6 30.8 55 55 A N T 3 S- 0 0 129 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.902 72.1 -57.6 63.1 38.4 44.0 25.0 29.9 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.556 119.8 99.5 68.2 14.4 43.7 23.9 26.1 57 57 A V B < +C 16 0B 48 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.993 46.5 177.5-133.0 134.6 45.9 21.0 26.5 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.817 27.4-109.1-127.1 169.8 45.0 17.3 27.0 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.517 32.3-107.6 -95.2 168.2 46.8 14.0 27.3 60 60 A K H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 120.1 52.4 -58.2 -41.7 47.0 11.2 24.7 61 61 A D H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 109.2 49.5 -65.1 -36.9 44.6 9.0 26.8 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.890 110.3 50.3 -68.9 -40.6 42.1 11.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -34,-0.4 0.921 110.2 50.5 -60.7 -42.2 42.3 12.4 23.2 64 64 A E H X S+ 0 0 80 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.883 108.4 53.4 -66.6 -32.6 41.8 8.6 22.7 65 65 A K H X S+ 0 0 133 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.935 108.4 46.9 -67.6 -45.2 38.8 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.912 112.7 53.1 -60.5 -40.1 37.1 11.5 23.0 67 67 A F H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.923 106.6 50.0 -61.8 -45.6 38.0 9.6 19.8 68 68 A N H X S+ 0 0 88 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.940 113.1 47.3 -58.0 -43.0 36.3 6.4 21.1 69 69 A Q H X S+ 0 0 102 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.881 112.0 50.7 -64.2 -39.8 33.2 8.4 22.0 70 70 A D H X S+ 0 0 35 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.853 110.1 47.6 -69.2 -37.0 33.2 10.1 18.6 71 71 A V H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.938 113.1 49.2 -66.9 -47.8 33.5 6.9 16.5 72 72 A D H X S+ 0 0 102 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.949 112.5 47.7 -55.8 -46.6 30.7 5.3 18.5 73 73 A A H X S+ 0 0 60 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.880 108.6 54.6 -63.4 -39.6 28.5 8.4 18.0 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.956 112.3 42.1 -60.8 -48.1 29.2 8.5 14.4 75 75 A V H X S+ 0 0 35 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 114.3 52.0 -66.5 -41.8 28.1 4.8 13.8 76 76 A R H X S+ 0 0 126 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.911 106.1 54.4 -63.8 -37.5 25.2 5.2 16.0 77 77 A G H X S+ 0 0 11 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.863 106.9 51.2 -61.9 -40.0 24.1 8.3 14.1 78 78 A I H >< S+ 0 0 3 -4,-1.6 3,-1.1 2,-0.2 7,-0.4 0.949 108.8 50.5 -62.3 -44.6 24.1 6.3 10.9 79 79 A L H 3< S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.817 111.5 50.1 -64.1 -29.7 21.9 3.6 12.4 80 80 A R H 3< S+ 0 0 185 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 0.556 93.2 88.3 -84.8 -10.7 19.5 6.2 13.6 81 81 A N S+ 0 0 10 -6,-0.2 4,-2.5 -7,-0.1 3,-0.3 0.858 100.4 68.9 -88.3 -42.6 21.7 6.2 5.8 85 85 A K H X S+ 0 0 92 -4,-2.9 4,-3.1 -7,-0.4 5,-0.3 0.918 98.0 50.2 -48.7 -50.2 20.9 3.0 7.7 86 86 A P H > S+ 0 0 61 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.884 112.9 47.5 -62.6 -33.6 19.7 1.0 4.7 87 87 A V H > S+ 0 0 8 -4,-0.4 4,-0.7 -3,-0.3 3,-0.3 0.952 113.0 47.8 -68.2 -47.4 22.7 1.9 2.7 88 88 A Y H >< S+ 0 0 27 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.913 109.1 53.3 -59.1 -44.5 25.1 1.1 5.5 89 89 A D H 3< S+ 0 0 67 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.844 104.8 56.7 -65.2 -26.6 23.5 -2.2 6.2 90 90 A S H 3< S+ 0 0 40 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.643 94.8 89.3 -75.1 -13.7 23.9 -3.2 2.6 91 91 A L S << S- 0 0 7 -3,-1.1 2,-0.1 -4,-0.7 31,-0.0 -0.543 77.1-116.5 -85.8 156.5 27.6 -2.6 2.6 92 92 A D > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.266 44.0 -92.4 -76.9 169.4 30.5 -5.0 3.4 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.845 122.5 49.8 -54.8 -43.4 32.8 -4.2 6.4 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.948 113.0 46.0 -63.1 -50.1 35.4 -2.2 4.4 95 95 A R H > S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.844 105.5 59.7 -65.5 -35.7 32.9 -0.0 2.8 96 96 A R H X S+ 0 0 79 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.904 102.2 54.9 -58.6 -35.9 31.1 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.3 -3,-0.5 -2,-0.2 0.906 105.2 52.9 -64.5 -38.7 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.883 108.9 49.8 -62.3 -40.1 34.4 4.5 4.5 99 99 A A H X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.904 109.6 50.9 -65.6 -39.0 30.9 5.5 5.3 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.915 106.7 53.5 -65.8 -41.0 31.8 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.958 109.2 49.4 -58.7 -46.2 34.8 8.2 8.0 102 102 A M H X S+ 0 0 5 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.939 112.2 47.8 -59.4 -46.0 32.6 10.5 5.9 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.906 110.2 51.9 -62.4 -40.8 30.1 10.9 8.7 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.923 116.8 41.7 -61.1 -39.3 32.9 11.6 11.3 105 105 A Q H < S+ 0 0 53 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.926 132.6 14.4 -76.9 -49.0 34.1 14.3 9.0 106 106 A M H X S- 0 0 53 -4,-3.1 4,-0.6 -5,-0.2 -3,-0.2 0.474 102.6-113.0-111.8 0.9 31.0 16.0 7.8 107 107 A G H X - 0 0 32 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.178 33.4 -82.0 81.3 157.7 28.2 14.9 10.0 108 108 A E H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 126.4 54.7 -68.7 -30.3 25.3 12.8 9.2 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.922 108.8 51.3 -63.3 -45.7 23.2 15.5 7.7 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-1.1 2,-0.2 -2,-0.2 0.957 114.4 41.1 -55.5 -59.0 26.0 16.3 5.4 111 111 A V H >< S+ 0 0 7 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.888 106.5 62.8 -60.6 -38.5 26.4 12.7 4.2 112 112 A A H 3< S+ 0 0 21 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.794 94.1 66.6 -61.0 -19.1 22.6 12.2 4.1 113 113 A G T << S+ 0 0 55 -3,-1.1 2,-1.3 -4,-0.9 3,-0.3 0.545 74.0 87.6 -79.2 0.4 22.7 14.9 1.4 114 114 A F <> + 0 0 39 -3,-2.4 4,-3.2 1,-0.2 5,-0.3 -0.332 54.4 158.3 -94.1 60.6 24.6 12.7 -1.1 115 115 A T H > + 0 0 87 -2,-1.3 4,-1.9 1,-0.3 -1,-0.2 0.862 66.6 44.7 -49.1 -52.2 21.4 11.3 -2.4 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.873 114.9 47.1 -66.1 -39.4 22.6 10.1 -5.7 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.893 109.0 56.5 -72.5 -35.7 25.8 8.6 -4.5 118 118 A L H X S+ 0 0 23 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.919 107.6 47.8 -57.3 -45.1 23.9 6.9 -1.7 119 119 A R H X S+ 0 0 110 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.952 111.6 49.8 -62.9 -45.1 21.6 5.2 -4.3 120 120 A M H <>S+ 0 0 29 -4,-1.8 5,-2.3 1,-0.2 4,-0.3 0.903 111.5 49.5 -61.5 -41.7 24.6 4.1 -6.4 121 121 A L H ><5S+ 0 0 7 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.919 108.7 52.1 -63.8 -43.2 26.3 2.6 -3.4 122 122 A Q H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.891 110.8 47.3 -63.7 -32.2 23.2 0.8 -2.4 123 123 A Q T 3<5S- 0 0 84 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.455 113.7-119.1 -86.2 2.6 23.0 -0.7 -5.9 124 124 A K T < 5 + 0 0 101 -3,-1.6 2,-1.3 -4,-0.3 -3,-0.2 0.766 63.0 147.6 66.3 31.4 26.7 -1.6 -5.8 125 125 A R >< + 0 0 119 -5,-2.3 4,-2.5 1,-0.2 -1,-0.2 -0.687 21.0 174.0 -97.5 78.1 27.5 0.5 -8.8 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.866 68.8 44.2 -59.0 -50.7 31.0 1.3 -7.5 127 127 A D H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 115.3 50.1 -66.6 -37.1 32.7 3.1 -10.3 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 110.0 49.4 -64.5 -44.5 29.6 5.2 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.899 108.7 54.8 -60.8 -39.8 29.4 6.1 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.904 108.9 47.1 -62.2 -43.5 33.1 7.0 -7.2 131 131 A V H X S+ 0 0 90 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.935 114.3 47.1 -65.5 -44.5 32.6 9.5 -10.0 132 132 A N H >< S+ 0 0 37 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.923 106.8 56.1 -67.0 -39.2 29.5 11.0 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.806 100.9 60.1 -61.1 -27.7 31.1 11.4 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.0 2,-1.8 -3,-0.4 -1,-0.2 0.689 85.1 79.9 -76.5 -17.1 34.0 13.4 -6.5 135 135 A K S << S+ 0 0 158 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.519 80.5 97.1 -84.5 69.4 31.6 16.1 -7.8 136 136 A S S > S- 0 0 17 -2,-1.8 4,-1.8 1,-0.1 5,-0.2 -0.993 85.8-115.3-154.1 159.7 31.3 17.8 -4.4 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.887 114.4 63.5 -63.7 -36.2 32.7 20.5 -2.4 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.947 104.2 45.2 -50.5 -49.0 34.1 17.8 -0.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.4 49.1 -67.4 -41.4 36.3 16.5 -2.8 140 140 A N H < S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.0 43.5 -68.5 -30.8 37.6 19.9 -4.0 141 141 A Q H < S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.847 131.5 19.0 -82.5 -37.5 38.4 21.1 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 -0.622 73.8 162.1-131.9 70.4 40.1 18.0 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.857 69.7 50.7 -64.2 -39.7 41.0 16.1 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.932 115.5 42.0 -66.0 -42.1 43.6 13.7 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 114.7 51.3 -67.2 -44.5 41.4 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 -8,-0.2 5,-0.2 0.903 108.6 53.1 -59.4 -41.0 38.4 12.3 -0.3 147 147 A K H X S+ 0 0 94 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.901 107.8 49.7 -61.4 -43.0 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 72 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.909 114.8 44.0 -62.4 -41.5 41.4 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.929 113.7 51.2 -68.3 -43.5 37.7 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.879 108.5 50.0 -58.2 -46.2 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 40 -4,-2.5 4,-2.5 -5,-0.2 6,-0.4 0.842 108.0 55.3 -64.9 -30.8 38.9 4.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.904 111.5 43.1 -66.2 -44.0 37.9 2.5 -0.4 153 153 A F H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.7 50.9 -71.1 -34.4 34.2 2.7 -1.6 154 154 A R H < S+ 0 0 97 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.930 125.0 21.5 -68.2 -42.1 35.2 1.9 -5.1 155 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.561 86.3-135.1-101.8 -17.4 37.4 -1.2 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.1 2,-0.3 -5,-0.3 -62,-0.2 0.740 73.1 103.1 64.0 23.1 36.2 -2.4 -1.1 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.807 79.7-120.0-127.7 170.1 39.9 -2.9 -0.0 158 158 A W S > S+ 0 0 36 -2,-0.3 3,-2.3 1,-0.2 4,-0.4 0.173 70.9 122.4 -95.0 20.1 42.2 -0.8 2.2 159 159 A D G > + 0 0 109 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.836 66.4 60.1 -53.3 -33.8 44.8 -0.2 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.643 107.5 46.9 -70.8 -12.6 44.6 3.6 -0.3 161 161 A Y G < 0 0 20 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.429 360.0 360.0-111.0 5.2 45.7 3.4 3.2 162 162 A K < 0 0 180 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.841 360.0 360.0-101.4 360.0 48.6 1.1 2.8