==== 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 1C6Q . 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) . 8634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 87 53.7 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 0 3 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.4 43.4 -1.8 9.2 2 2 A N > - 0 0 69 1,-0.0 4,-2.6 156,-0.0 5,-0.2 -0.916 360.0 -79.9-156.1 176.7 40.1 -0.7 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.848 124.6 50.9 -52.2 -43.7 38.0 2.4 11.3 4 4 A F H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 113.8 41.9 -65.1 -48.6 40.1 3.7 14.1 5 5 A E H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.858 113.5 55.0 -68.8 -33.3 43.4 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.956 112.5 40.8 -63.2 -46.7 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.840 109.0 60.7 -71.5 -28.9 40.6 7.9 10.9 8 8 A R H X S+ 0 0 97 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.892 108.1 45.7 -65.6 -30.1 43.7 8.2 12.9 9 9 A I H < S+ 0 0 87 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.932 115.8 44.1 -77.2 -43.1 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.819 125.5 30.6 -71.9 -29.1 43.2 11.0 8.1 11 11 A E H < S- 0 0 47 -4,-2.6 19,-0.3 1,-0.2 -1,-0.2 0.673 91.4-154.9-101.9 -23.3 42.8 13.2 11.1 12 12 A G < - 0 0 23 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.182 25.0 -85.6 73.4-166.1 46.2 13.0 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.969 42.0 173.1-142.9 122.2 46.6 13.6 16.6 14 14 A R E -A 28 0A 141 14,-1.5 14,-2.5 -2,-0.3 4,-0.1 -1.000 18.3-162.4-133.4 130.4 47.2 17.0 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.444 74.2 61.8 -92.6 -2.2 47.3 17.5 21.9 16 16 A K E S-C 57 0B 110 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.886 102.2 -86.5-122.1 149.2 46.8 21.3 21.9 17 17 A I E + 0 0 8 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.318 59.0 171.4 -52.3 137.1 43.8 23.1 20.5 18 18 A Y E -A 26 0A 26 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.850 34.2-104.4-140.8 173.5 44.3 23.7 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.887 33.2-137.3-106.5 138.9 42.3 24.9 13.9 20 20 A D > - 0 0 46 4,-2.8 3,-2.3 -2,-0.5 -1,-0.1 -0.090 40.1 -79.6 -81.9-173.4 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.708 135.2 47.6 -60.8 -23.2 40.9 22.8 7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.403 124.0-103.6 -96.3 0.5 37.8 25.0 7.9 23 23 A G S < S+ 0 0 37 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.571 74.5 140.1 88.5 14.6 39.4 27.2 10.6 24 24 A Y - 0 0 80 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.758 59.8-103.6-101.3 145.0 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-3.0 11,-0.4 9,-1.4 -0.379 53.2 158.2 -64.0 126.8 38.8 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.906 20.1-165.0-141.5 167.6 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.1 -2,-0.3 2,-0.2 -0.981 52.1 2.4-152.6 162.9 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.5 -2,-0.3 2,-1.1 -0.426 122.7 -5.2 69.3-132.5 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.647 128.0 -53.7 -99.3 70.7 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.1 2,-1.1 -19,-0.3 -2,-0.2 0.792 83.3 159.6 71.0 24.8 39.7 15.5 14.8 31 31 A H E < -B 27 0A 30 -4,-2.1 -4,-1.6 1,-0.0 -1,-0.2 -0.688 33.1-144.1 -86.4 104.8 37.4 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.343 18.1-175.5 -65.9 133.5 35.7 19.5 16.8 33 33 A L E - 0 0 16 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.891 58.6 -27.1 -97.2 -43.5 35.1 21.7 19.8 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.942 34.8-135.0-169.8 153.4 33.2 24.7 18.3 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.520 75.2 112.4 -89.3 -8.1 32.5 26.7 15.2 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.339 72.0-134.2 -71.1 142.1 32.8 29.8 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.584 76.0 105.8 -72.2 -5.6 35.7 32.1 16.6 38 38 A S > - 0 0 45 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.653 55.1-163.0 -86.3 124.0 36.3 32.4 20.2 39 39 A L H > S+ 0 0 58 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.836 94.0 55.0 -70.8 -29.3 39.2 30.6 21.7 40 40 A N H > S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 105.0 51.6 -69.6 -41.2 37.7 31.0 25.1 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 110.7 49.8 -58.4 -42.1 34.6 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.928 110.1 49.3 -61.1 -45.5 36.8 26.6 22.7 43 43 A K H X S+ 0 0 64 -4,-2.9 4,-2.2 1,-0.2 11,-0.2 0.909 110.6 52.7 -60.8 -38.7 38.6 26.2 25.9 44 44 A S H X S+ 0 0 73 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.943 109.8 45.5 -62.4 -52.0 35.3 26.2 27.7 45 45 A E H X S+ 0 0 66 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.899 111.8 55.8 -61.0 -39.2 33.9 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.2 5,-0.3 0.943 107.3 45.2 -60.5 -44.3 37.1 21.5 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.2 4,-2.6 1,-0.2 5,-1.4 0.890 112.5 52.7 -66.9 -35.0 37.1 21.5 29.8 48 48 A K H <5S+ 0 0 142 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.830 110.3 48.2 -65.7 -37.5 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 120.9 36.0 -74.2 -32.0 34.3 17.5 27.4 50 50 A I H <5S- 0 0 37 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.725 102.0-127.2 -92.2 -29.3 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.786 76.5 68.6 90.7 24.8 35.9 17.1 32.9 52 52 A R S - 0 0 7 -2,-1.0 3,-1.3 -11,-0.2 -1,-0.2 0.683 31.2-143.7 -91.5 -17.8 42.7 21.7 30.9 55 55 A N T 3 S- 0 0 122 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.773 71.9 -56.3 64.4 21.5 44.1 25.0 29.9 56 56 A G T 3 S+ 0 0 1 1,-0.2 -39,-1.6 -13,-0.2 2,-0.4 0.491 118.5 95.6 89.8 0.6 44.0 23.9 26.1 57 57 A V B < +C 16 0B 68 -3,-1.3 2,-0.3 -41,-0.2 -1,-0.2 -0.978 47.1 179.3-129.5 140.2 46.0 20.9 26.5 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.847 27.2-108.4-131.9 167.6 45.1 17.2 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.510 33.0-106.1 -92.4 172.2 46.9 13.9 27.3 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 120.7 51.5 -58.2 -44.8 47.1 11.1 24.7 61 61 A D H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 109.0 49.3 -61.3 -41.3 44.7 9.0 26.7 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 111.1 50.4 -66.1 -40.9 42.1 11.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -34,-0.4 0.911 110.3 50.4 -59.9 -44.1 42.4 12.3 23.2 64 64 A E H X S+ 0 0 74 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.877 109.0 53.3 -63.7 -34.3 41.9 8.6 22.6 65 65 A K H X S+ 0 0 138 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.956 107.6 47.7 -65.8 -48.2 38.9 8.7 24.8 66 66 A L H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.909 111.1 54.2 -56.9 -40.7 37.2 11.4 22.9 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.935 106.5 50.1 -63.6 -42.6 38.0 9.6 19.7 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.937 111.4 48.3 -60.4 -41.6 36.4 6.5 20.9 69 69 A Q H X S+ 0 0 98 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.904 111.7 50.6 -65.0 -40.2 33.3 8.4 21.9 70 70 A D H X S+ 0 0 37 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.884 110.6 47.9 -68.0 -35.9 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.960 113.0 49.4 -66.3 -48.0 33.5 6.9 16.5 72 72 A D H X S+ 0 0 93 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.947 111.3 48.7 -54.0 -48.9 30.8 5.3 18.6 73 73 A A H X S+ 0 0 56 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.887 108.2 54.4 -59.8 -41.3 28.6 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.946 110.4 45.5 -59.8 -48.6 29.2 8.3 14.3 75 75 A V H X S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.923 113.6 50.0 -61.8 -43.1 28.0 4.7 14.0 76 76 A R H X S+ 0 0 137 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.891 107.6 53.9 -64.1 -34.9 25.1 5.3 16.2 77 77 A G H X S+ 0 0 2 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.941 109.3 48.8 -62.2 -45.1 24.2 8.4 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 7,-0.4 0.947 110.9 49.2 -57.0 -51.0 24.2 6.2 10.9 79 79 A L H 3< S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 112.2 49.1 -66.8 -23.0 22.1 3.5 12.4 80 80 A R H 3< S+ 0 0 178 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.578 93.3 89.0 -91.1 -11.5 19.6 6.0 13.6 81 81 A N S+ 0 0 0 -6,-0.1 4,-2.4 -7,-0.1 3,-0.4 0.881 99.2 66.0 -88.3 -42.1 21.9 6.1 6.0 85 85 A K H X S+ 0 0 80 -4,-3.0 4,-3.2 -7,-0.4 5,-0.2 0.902 98.7 53.7 -53.1 -41.9 21.1 2.9 7.7 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.885 111.1 46.8 -63.9 -33.0 20.0 1.1 4.6 87 87 A V H > S+ 0 0 3 -4,-0.5 4,-0.8 -3,-0.4 -2,-0.2 0.946 112.4 48.9 -71.4 -47.4 23.1 1.9 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.930 110.2 50.5 -58.2 -46.8 25.3 1.0 5.6 89 89 A D H 3< S+ 0 0 73 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.848 107.1 56.2 -66.6 -25.5 23.6 -2.4 6.2 90 90 A S H 3< S+ 0 0 38 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.643 96.6 87.5 -75.4 -16.1 23.9 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-1.0 2,-0.1 -4,-0.8 31,-0.0 -0.536 76.4-116.0 -88.7 158.6 27.7 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.230 43.6 -93.8 -77.5 168.3 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.869 120.8 48.5 -56.0 -46.0 32.9 -4.2 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.5 1,-0.2 3,-0.5 0.949 113.0 46.5 -62.3 -51.7 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.843 105.2 61.5 -63.2 -34.3 33.0 0.1 2.6 96 96 A R H X S+ 0 0 80 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.904 101.5 53.5 -55.4 -39.0 31.1 0.5 5.9 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 -3,-0.5 -1,-0.2 0.906 105.2 55.0 -64.7 -36.3 34.3 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.875 108.8 46.9 -63.4 -39.2 34.4 4.4 4.4 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.903 110.0 52.3 -71.5 -36.8 30.9 5.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.943 106.6 54.8 -64.6 -39.7 31.7 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.954 107.1 49.6 -57.2 -47.9 34.7 8.2 7.9 102 102 A M H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.915 111.8 48.6 -57.7 -41.9 32.6 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.924 108.4 53.5 -66.0 -39.4 30.1 10.9 8.7 104 104 A F H < S+ 0 0 33 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.918 116.2 40.7 -62.7 -36.1 32.8 11.6 11.3 105 105 A Q H < S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.897 132.7 16.7 -76.8 -49.2 34.1 14.3 9.0 106 106 A M H X S- 0 0 54 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.528 103.3-111.7-112.0 -0.9 31.0 16.0 7.9 107 107 A G H X - 0 0 32 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.184 34.3 -81.9 81.5 153.0 28.1 14.9 10.1 108 108 A E H > S+ 0 0 51 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.873 128.6 53.6 -57.2 -41.0 25.2 12.7 9.5 109 109 A T H > S+ 0 0 121 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.920 107.1 49.5 -60.4 -48.8 23.3 15.5 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.912 115.9 42.6 -58.7 -50.6 26.0 16.3 5.5 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.895 104.1 63.6 -66.6 -37.3 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 15 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 95.0 66.4 -59.9 -22.0 22.6 12.1 4.3 113 113 A G T << S+ 0 0 55 -4,-0.9 2,-1.4 -3,-0.6 -1,-0.3 0.516 72.8 87.8 -75.6 -5.3 22.6 14.8 1.6 114 114 A F <> + 0 0 41 -3,-2.5 4,-2.7 1,-0.2 5,-0.3 -0.361 54.7 159.4 -92.3 62.7 24.6 12.8 -1.0 115 115 A T H > + 0 0 63 -2,-1.4 4,-1.9 1,-0.3 -1,-0.2 0.877 66.6 45.7 -50.6 -54.5 21.4 11.2 -2.3 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.887 114.8 47.1 -60.1 -42.4 22.6 10.2 -5.6 117 117 A S H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.903 109.3 55.8 -64.7 -42.6 25.9 8.6 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.886 107.5 47.9 -54.7 -47.4 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 111 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.901 111.7 50.1 -65.2 -37.6 21.8 5.2 -4.1 120 120 A M H X>S+ 0 0 30 -4,-1.8 5,-2.1 1,-0.2 4,-0.5 0.910 110.7 49.3 -68.7 -41.1 24.7 4.1 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-3.3 3,-1.6 1,-0.2 -1,-0.2 0.935 109.7 51.6 -62.7 -43.4 26.5 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.902 110.6 48.6 -59.4 -36.2 23.4 0.8 -2.4 123 123 A Q H 3<5S- 0 0 86 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.497 113.6-120.8 -80.2 -4.9 23.1 -0.6 -5.9 124 124 A K T <<5 + 0 0 100 -3,-1.6 2,-1.2 -4,-0.5 -3,-0.2 0.761 62.7 147.0 69.2 29.7 26.8 -1.6 -5.8 125 125 A R >< + 0 0 108 -5,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.729 21.3 173.8 -96.1 77.1 27.6 0.6 -8.9 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.1 1,-0.2 5,-0.2 0.894 68.8 44.9 -58.9 -50.0 31.2 1.4 -7.6 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 114.8 50.1 -64.2 -41.0 32.7 3.3 -10.4 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 110.4 49.4 -63.0 -41.7 29.6 5.4 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.895 108.1 54.6 -63.3 -39.9 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.915 109.0 47.7 -63.7 -40.7 33.1 7.2 -7.1 131 131 A V H X S+ 0 0 92 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.929 113.5 46.1 -68.9 -41.8 32.6 9.6 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.907 108.0 57.7 -69.2 -33.8 29.5 11.2 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.856 100.0 58.1 -62.7 -31.7 31.2 11.4 -5.0 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.8 -3,-0.2 -1,-0.2 0.659 85.8 81.9 -72.7 -14.7 34.0 13.5 -6.5 135 135 A K S << S+ 0 0 164 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.551 80.4 96.1 -87.3 68.3 31.6 16.2 -7.8 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -1.000 85.2-115.9-156.2 155.1 31.4 17.8 -4.4 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.922 114.1 62.7 -58.8 -41.9 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.951 105.7 44.4 -48.5 -48.4 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 50 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.930 113.9 48.7 -67.4 -44.1 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.812 115.7 43.9 -69.3 -27.8 37.5 20.0 -3.9 141 141 A Q H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.856 132.4 17.5 -82.1 -40.6 38.4 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 -0.592 74.6 161.6-130.6 72.0 40.1 18.1 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.875 68.4 53.8 -62.2 -40.9 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.937 115.6 39.0 -63.6 -43.3 43.7 13.8 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 115.7 52.5 -69.0 -44.4 41.6 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.915 106.9 53.1 -58.4 -42.1 38.5 12.4 -0.3 147 147 A K H X S+ 0 0 103 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.887 108.1 52.3 -61.6 -37.8 40.5 10.4 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.3 -5,-0.2 12,-0.2 0.933 113.1 41.7 -64.5 -43.0 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 113.8 52.9 -69.6 -40.5 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.899 108.5 49.9 -60.0 -44.0 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.5 4,-2.7 1,-0.2 6,-0.4 0.845 107.7 56.1 -64.5 -29.6 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.913 110.4 42.7 -66.7 -46.6 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.1 51.3 -69.8 -35.0 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.917 124.3 24.5 -67.2 -42.0 35.4 1.9 -5.3 155 155 A T H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.633 84.2-137.1 -98.2 -24.7 37.5 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.2 1,-0.3 -62,-0.2 0.652 73.8 99.6 72.8 14.7 36.3 -2.4 -1.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.770 80.6-119.0-125.8 174.7 40.0 -2.8 -0.1 158 158 A W S >> S+ 0 0 39 -2,-0.2 3,-2.1 1,-0.2 4,-0.6 0.133 71.4 121.6 -96.8 19.6 42.3 -0.8 2.2 159 159 A D G >4 + 0 0 95 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.792 67.0 59.3 -54.4 -31.9 44.9 -0.1 -0.6 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.679 107.7 50.4 -69.4 -19.7 44.6 3.7 -0.3 161 161 A Y G <4 0 0 20 -3,-2.1 -1,-0.2 -13,-0.1 -2,-0.2 0.568 360.0 360.0-101.6 -5.3 45.7 3.3 3.2 162 162 A K << 0 0 177 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.786 360.0 360.0 -98.9 360.0 48.8 1.1 2.7