==== 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 1C6A . 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) . 8702.0 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 . 9 5.6 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 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 61 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.2 43.3 -2.0 9.1 2 2 A N > - 0 0 67 95,-0.0 4,-2.5 1,-0.0 5,-0.2 -0.881 360.0 -84.5-146.8 175.2 40.2 -0.8 10.9 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.832 123.2 51.2 -51.8 -40.7 38.1 2.3 11.4 4 4 A F H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 113.5 42.8 -68.0 -48.6 40.3 3.6 14.2 5 5 A E H > S+ 0 0 93 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.834 113.6 53.4 -65.9 -35.9 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.930 114.4 39.6 -65.7 -47.6 41.9 4.6 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.820 108.7 59.9 -73.6 -28.8 40.7 7.7 10.9 8 8 A R H X S+ 0 0 107 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.879 108.3 50.2 -63.6 -32.4 43.8 8.2 13.0 9 9 A I H < S+ 0 0 89 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.944 114.5 40.2 -68.8 -47.9 45.5 8.4 9.6 10 10 A D H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.792 125.7 34.2 -74.7 -24.8 43.2 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.2 19,-0.4 -5,-0.2 -1,-0.2 0.704 91.9-152.6-101.3 -28.8 42.8 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.2 -0.259 25.6 -85.1 81.3-176.8 46.2 13.0 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 44.1 173.8-136.8 120.1 46.8 13.4 16.6 14 14 A R E -A 28 0A 142 14,-1.4 14,-2.8 -2,-0.4 4,-0.1 -0.995 18.5-164.9-133.6 125.1 47.2 16.8 18.3 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.467 73.6 57.9 -87.4 -5.9 47.4 17.4 22.0 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.924 102.0 -82.8-125.2 154.0 46.8 21.1 21.9 17 17 A I E + 0 0 29 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.209 58.0 170.7 -51.8 136.0 43.9 23.0 20.6 18 18 A Y E -A 26 0A 25 8,-3.0 8,-3.2 -4,-0.1 2,-0.5 -0.849 35.1-107.8-139.9 173.1 44.4 23.6 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.890 34.3-136.9-106.1 135.5 42.3 24.9 14.0 20 20 A D > - 0 0 48 4,-3.3 3,-2.4 -2,-0.5 -1,-0.1 -0.072 41.2 -76.5 -77.4-170.6 41.0 22.3 11.5 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.783 135.8 48.0 -61.5 -23.7 41.0 22.6 7.7 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.410 123.5-103.5 -95.0 2.7 37.9 25.0 8.0 23 23 A G S < S+ 0 0 36 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.520 75.5 139.2 87.2 14.7 39.6 27.1 10.7 24 24 A Y - 0 0 74 1,-0.1 -4,-3.3 9,-0.0 -1,-0.3 -0.737 60.3-101.8 -96.1 151.9 37.6 25.7 13.6 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-3.0 11,-0.4 9,-1.5 -0.391 54.4 155.7 -70.4 127.2 38.9 24.8 17.0 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-3.0 -2,-0.3 2,-0.3 -0.890 20.5-164.2-142.6 171.6 39.6 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.9 4,-1.9 -2,-0.3 2,-0.2 -0.996 50.9 3.9-155.8 160.5 41.8 18.8 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-1.4 -2,-0.3 2,-1.1 -0.471 122.2 -5.9 73.0-133.4 43.0 15.3 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.675 128.7 -51.3 -98.8 71.7 42.0 13.1 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.1 2,-1.1 -19,-0.4 -2,-0.2 0.735 83.8 160.3 71.1 23.2 39.7 15.4 14.9 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.9 1,-0.0 -1,-0.2 -0.635 32.6-145.4 -85.9 99.4 37.5 16.2 17.9 32 32 A L E -B 26 0A 65 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.355 18.4-176.2 -62.1 129.5 35.8 19.4 16.8 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.888 56.3 -26.6 -94.9 -43.3 35.3 21.7 19.8 34 34 A T E -B 25 0A 27 -9,-1.5 -9,-0.8 2,-0.1 -1,-0.4 -0.917 34.5-134.6-170.9 152.2 33.4 24.6 18.5 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.499 76.3 108.7 -85.6 -12.3 32.6 26.6 15.4 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.341 70.6-136.8 -68.9 148.4 33.1 29.8 17.4 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.444 74.6 104.1 -86.3 3.3 36.1 31.9 16.7 38 38 A S > - 0 0 44 1,-0.2 4,-1.7 2,-0.0 -2,-0.1 -0.780 57.8-159.2 -90.8 127.7 36.6 32.5 20.4 39 39 A L H > S+ 0 0 66 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.785 94.5 57.5 -72.8 -27.5 39.5 30.5 21.8 40 40 A N H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 104.6 51.7 -69.2 -36.6 38.0 30.9 25.2 41 41 A A H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.943 108.7 50.5 -61.0 -43.0 35.0 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.922 110.8 49.5 -61.3 -41.8 37.0 26.5 22.7 43 43 A K H X S+ 0 0 69 -4,-2.6 4,-2.1 2,-0.2 11,-0.2 0.896 108.9 52.4 -67.4 -35.7 38.8 26.1 26.0 44 44 A S H X S+ 0 0 73 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.962 111.0 46.1 -63.1 -51.9 35.5 26.1 27.9 45 45 A E H X S+ 0 0 66 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.918 110.8 54.7 -60.5 -40.5 34.1 23.4 25.7 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.4 0.927 109.1 45.7 -61.5 -41.2 37.3 21.4 26.1 47 47 A D H X>S+ 0 0 34 -4,-2.1 4,-2.5 1,-0.2 5,-0.8 0.909 113.0 52.1 -67.7 -34.0 37.2 21.4 29.9 48 48 A K H <5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 111.9 45.2 -66.1 -43.6 33.6 20.5 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.865 121.2 38.9 -67.6 -37.3 34.4 17.5 27.4 50 50 A I H <5S- 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.780 100.1-128.9 -87.5 -33.5 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 -5,-0.4 -3,-0.2 0.750 76.6 68.0 94.4 16.3 36.1 17.0 32.9 52 52 A R S - 0 0 6 -2,-1.0 3,-1.1 -11,-0.2 -1,-0.2 0.708 29.8-145.8 -83.7 -29.2 42.8 21.5 30.8 55 55 A N T 3 S- 0 0 133 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.916 72.5 -54.9 61.2 42.0 44.1 24.8 29.9 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.548 120.2 95.2 70.7 8.9 44.0 23.8 26.0 57 57 A V B < +C 16 0B 50 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.993 46.5 175.7-131.8 137.0 46.1 20.7 26.5 58 58 A I - 0 0 5 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.822 29.1-106.5-129.7 174.6 45.1 17.0 27.0 59 59 A T > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.493 31.9-106.6 -99.4 174.1 46.9 13.8 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 120.8 52.8 -63.2 -40.0 47.0 11.0 24.7 61 61 A D H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 108.8 49.1 -61.3 -44.0 44.7 8.9 26.7 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.881 110.9 51.6 -61.5 -40.0 42.1 11.7 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -34,-0.4 0.906 110.1 47.9 -64.8 -43.9 42.4 12.1 23.2 64 64 A E H X S+ 0 0 73 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.836 109.2 55.6 -66.7 -32.5 41.9 8.4 22.6 65 65 A K H X S+ 0 0 140 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.961 107.7 46.5 -63.3 -48.6 38.9 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 111.7 53.8 -59.0 -40.6 37.3 11.4 22.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.906 105.2 51.5 -64.7 -42.6 38.0 9.4 19.8 68 68 A N H X S+ 0 0 88 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.959 112.6 47.0 -58.9 -44.8 36.3 6.3 21.0 69 69 A Q H X S+ 0 0 100 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.884 112.3 50.4 -60.4 -44.1 33.3 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.868 110.7 47.1 -64.2 -39.1 33.3 10.1 18.5 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.969 113.1 50.5 -67.4 -48.8 33.5 6.9 16.5 72 72 A D H X S+ 0 0 96 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.947 110.8 47.4 -52.9 -49.3 30.8 5.3 18.5 73 73 A A H X S+ 0 0 60 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.889 109.2 55.7 -62.0 -38.0 28.5 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.973 110.7 43.0 -60.4 -48.8 29.3 8.3 14.3 75 75 A V H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.944 114.9 50.8 -60.6 -47.8 28.2 4.7 13.9 76 76 A R H X S+ 0 0 116 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.867 108.0 52.9 -58.8 -39.1 25.2 5.2 16.1 77 77 A G H X S+ 0 0 11 -4,-2.7 4,-0.9 -5,-0.3 3,-0.3 0.936 107.9 50.7 -63.7 -45.2 24.2 8.2 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 7,-0.4 0.955 109.4 51.8 -54.3 -49.6 24.4 6.2 10.9 79 79 A L H 3< S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.8 46.8 -64.8 -23.8 22.2 3.6 12.4 80 80 A R H 3< S+ 0 0 181 -4,-1.6 2,-0.7 -3,-0.3 -1,-0.3 0.526 91.5 95.9 -92.4 -6.1 19.6 6.0 13.4 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.1 3,-0.4 0.873 99.6 67.8 -85.9 -42.4 22.0 6.2 5.9 85 85 A K H X S+ 0 0 80 -4,-3.7 4,-3.4 -7,-0.4 5,-0.3 0.904 98.2 50.0 -49.2 -48.8 21.2 3.0 7.6 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.895 111.5 50.3 -64.7 -32.3 20.1 1.0 4.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-0.7 -3,-0.4 3,-0.3 0.962 112.2 47.0 -66.9 -46.4 23.1 1.9 2.7 88 88 A Y H >< S+ 0 0 31 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.935 109.2 52.9 -59.8 -47.0 25.3 1.0 5.5 89 89 A D H 3< S+ 0 0 73 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 106.5 55.5 -63.2 -25.2 23.6 -2.3 6.1 90 90 A S H 3< S+ 0 0 42 -4,-1.4 -1,-0.3 -3,-0.3 2,-0.2 0.651 95.1 90.2 -81.3 -11.1 24.0 -3.2 2.4 91 91 A L S << S- 0 0 7 -3,-1.3 31,-0.0 -4,-0.7 2,-0.0 -0.525 75.2-117.7 -87.9 162.0 27.7 -2.8 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.231 43.3 -91.9 -80.5 174.6 30.6 -5.0 3.1 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.858 120.1 44.9 -57.1 -49.9 33.0 -4.3 6.0 94 94 A V H > S+ 0 0 29 62,-0.2 4,-1.3 2,-0.2 3,-0.4 0.928 113.9 49.7 -61.5 -51.7 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.899 104.0 59.7 -61.4 -36.7 33.1 0.0 2.5 96 96 A R H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.892 101.3 55.8 -56.8 -37.0 31.2 0.6 5.8 97 97 A C H X S+ 0 0 17 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.3 0.864 102.9 54.5 -64.0 -34.9 34.4 2.0 7.2 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.5 -1,-0.2 0.872 109.2 48.4 -64.8 -35.1 34.5 4.5 4.3 99 99 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.919 109.3 51.4 -71.7 -36.4 31.0 5.7 5.2 100 100 A I H X S+ 0 0 7 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.931 108.1 54.7 -64.8 -40.7 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.952 108.3 46.7 -57.5 -48.3 34.8 8.2 7.9 102 102 A M H X S+ 0 0 8 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.907 113.2 49.1 -62.7 -40.4 32.7 10.6 5.8 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.924 109.6 52.3 -63.8 -40.3 30.1 10.8 8.7 104 104 A F H < S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.917 116.8 40.9 -59.1 -42.7 32.9 11.5 11.2 105 105 A Q H < S+ 0 0 56 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.930 132.4 14.8 -72.2 -54.4 34.2 14.3 8.9 106 106 A M H X S- 0 0 53 -4,-2.9 4,-0.7 -5,-0.2 -3,-0.2 0.424 101.9-110.0-110.3 -0.4 31.1 16.0 7.8 107 107 A G H X - 0 0 31 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.137 36.0 -83.1 83.6 148.0 28.2 14.9 9.9 108 108 A E H > S+ 0 0 65 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.850 126.9 56.7 -63.5 -29.8 25.4 12.8 9.0 109 109 A T H > S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.980 107.5 48.0 -65.3 -49.2 23.5 15.6 7.5 110 110 A G H < S+ 0 0 32 -4,-0.7 3,-0.4 1,-0.2 -2,-0.2 0.872 115.6 45.0 -58.6 -43.4 26.3 16.4 5.2 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.2 -1,-0.2 0.933 104.9 59.9 -69.2 -41.5 26.6 12.7 4.2 112 112 A A H 3< S+ 0 0 14 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 95.7 68.4 -59.1 -17.3 22.9 12.2 3.8 113 113 A G T 3< S+ 0 0 56 -4,-1.0 2,-1.6 -3,-0.4 3,-0.3 0.627 75.4 82.8 -77.5 -9.3 23.1 15.0 1.1 114 114 A F <> + 0 0 35 -3,-2.4 4,-2.9 1,-0.2 5,-0.3 -0.206 58.4 155.8 -89.1 57.4 25.1 12.7 -1.2 115 115 A T H > + 0 0 61 -2,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.890 65.0 45.1 -46.8 -53.3 21.8 11.2 -2.4 116 116 A N H > S+ 0 0 77 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.920 114.8 46.4 -62.9 -45.3 22.9 10.1 -5.8 117 117 A S H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.892 110.1 54.7 -67.0 -40.3 26.1 8.5 -4.7 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.913 108.2 49.7 -59.3 -39.8 24.4 6.8 -1.7 119 119 A R H X S+ 0 0 106 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.943 111.4 47.4 -64.0 -44.0 22.0 5.3 -4.1 120 120 A M H <>S+ 0 0 23 -4,-2.0 5,-2.4 2,-0.2 4,-0.3 0.881 110.5 52.2 -65.3 -37.7 24.7 4.0 -6.5 121 121 A L H ><5S+ 0 0 7 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.936 108.8 52.1 -64.1 -41.5 26.6 2.6 -3.5 122 122 A Q H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.904 109.6 48.6 -60.2 -39.1 23.4 0.9 -2.5 123 123 A Q T 3<5S- 0 0 83 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.432 115.0-117.1 -80.7 0.4 23.2 -0.6 -6.0 124 124 A K T < 5 + 0 0 103 -3,-1.9 2,-1.1 -4,-0.3 -3,-0.2 0.742 66.5 144.5 69.7 27.4 26.8 -1.7 -5.9 125 125 A R >< + 0 0 112 -5,-2.4 4,-2.2 1,-0.2 -1,-0.2 -0.704 21.8 173.5-100.6 76.5 27.7 0.6 -8.9 126 126 A W H > + 0 0 53 -2,-1.1 4,-2.0 1,-0.2 5,-0.2 0.887 69.0 44.8 -58.0 -53.8 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 114.2 50.8 -63.0 -37.9 32.8 3.4 -10.3 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 109.1 49.3 -65.7 -42.7 29.7 5.4 -10.8 129 129 A A H X S+ 0 0 5 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.909 110.4 52.9 -61.7 -37.9 29.4 6.3 -7.1 130 130 A A H X S+ 0 0 13 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.864 109.7 47.0 -68.5 -38.6 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 98 -4,-2.0 4,-0.5 -5,-0.2 3,-0.5 0.956 114.1 47.8 -71.9 -43.0 32.7 9.7 -10.0 132 132 A N H >< S+ 0 0 39 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.931 108.9 53.3 -63.6 -43.1 29.5 11.2 -8.6 133 133 A A H 3< S+ 0 0 8 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.809 98.4 63.4 -67.8 -20.4 31.0 11.8 -5.1 134 134 A A H 3< S+ 0 0 27 -4,-1.0 2,-2.0 -3,-0.5 -1,-0.3 0.696 83.1 81.6 -74.6 -16.5 34.0 13.6 -6.4 135 135 A K S << S+ 0 0 160 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.516 80.7 98.1 -83.5 70.5 31.7 16.3 -7.8 136 136 A S S > S- 0 0 18 -2,-2.0 4,-2.3 1,-0.1 5,-0.2 -0.994 84.8-117.1-155.8 158.1 31.5 18.0 -4.3 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.899 114.4 62.6 -60.7 -45.1 32.8 20.7 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.954 107.7 43.0 -43.9 -53.2 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.927 113.6 49.5 -67.3 -42.0 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 116.5 43.0 -67.8 -28.5 37.5 20.0 -3.9 141 141 A Q H < S+ 0 0 110 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.853 130.9 19.5 -82.6 -40.1 38.5 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 -0.692 75.0 160.0-129.0 70.9 40.2 18.0 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.866 67.9 53.4 -67.7 -40.2 41.1 16.2 -2.1 144 144 A N H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.969 117.0 39.6 -61.0 -44.3 43.8 13.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 113.6 53.4 -65.6 -51.6 41.5 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.932 109.0 51.7 -50.5 -45.4 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 104 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.888 107.4 50.9 -62.2 -39.5 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.933 113.8 44.8 -63.0 -43.8 41.5 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.934 114.4 48.2 -62.6 -45.7 37.9 7.5 0.9 150 150 A I H X S+ 0 0 15 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.871 108.9 53.1 -63.9 -39.2 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 46 -4,-2.3 4,-2.8 -5,-0.3 6,-0.4 0.873 108.3 52.1 -62.1 -37.9 39.1 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.918 112.2 44.8 -62.0 -45.0 38.0 2.6 -0.6 153 153 A F H < S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.909 115.5 49.5 -66.4 -41.6 34.4 2.8 -1.7 154 154 A R H < S+ 0 0 105 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.922 125.2 22.5 -63.5 -46.8 35.4 2.0 -5.1 155 155 A T H < S- 0 0 46 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.596 84.4-135.7 -97.5 -20.4 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 15 -4,-2.8 2,-0.2 -5,-0.3 -62,-0.2 0.693 72.7 103.2 70.9 11.7 36.4 -2.3 -1.2 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.779 79.5-120.8-123.0 174.1 40.1 -2.8 -0.2 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.5 1,-0.2 4,-0.6 0.197 72.6 119.6 -94.5 11.3 42.5 -0.8 2.1 159 159 A D G >4 + 0 0 115 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.825 69.3 58.0 -48.6 -33.8 45.0 -0.1 -0.8 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.688 109.4 45.8 -71.6 -15.2 44.6 3.7 -0.4 161 161 A Y G <4 0 0 19 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.522 360.0 360.0-108.3 1.3 45.7 3.4 3.1 162 162 A K << 0 0 177 -3,-1.0 -2,-0.1 -4,-0.6 -3,-0.1 0.852 360.0 360.0-101.4 360.0 48.7 1.1 2.5