==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-09 3G3W . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,W.L.HUBBELL . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8651.0 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 . 7 4.3 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 67 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.5 17.1 1.9 9.0 2 2 A N > - 0 0 65 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.928 360.0 -82.9-153.7 178.7 20.3 0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.823 123.6 52.3 -59.6 -35.3 22.5 -2.4 11.2 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 113.6 41.9 -69.0 -45.3 20.3 -3.6 14.1 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.877 113.9 55.3 -66.6 -37.9 17.1 -3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.952 112.4 39.7 -58.4 -53.3 18.8 -4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.791 110.1 60.4 -70.5 -29.2 20.0 -8.0 10.9 8 8 A R H X S+ 0 0 104 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.891 107.8 46.2 -62.0 -39.8 16.7 -8.3 12.8 9 9 A I H < S+ 0 0 86 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.918 118.1 41.1 -67.3 -44.9 15.0 -8.6 9.4 10 10 A D H < S+ 0 0 21 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.833 125.2 32.8 -74.4 -35.0 17.5 -11.1 8.0 11 11 A E H < S- 0 0 31 -4,-2.7 19,-0.4 1,-0.1 -3,-0.2 0.699 90.8-157.7 -98.6 -22.9 18.0 -13.3 11.1 12 12 A G < - 0 0 19 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.1 -0.161 24.4 -84.4 69.2-170.6 14.5 -13.1 12.7 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.944 42.0 169.7-141.0 116.9 13.9 -13.8 16.4 14 14 A R E -A 28 0A 122 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.996 18.5-162.6-125.8 129.7 13.4 -17.1 18.1 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.447 75.5 60.7 -91.7 -1.0 13.3 -17.5 21.9 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.908 101.6 -84.9-121.1 154.0 13.9 -21.3 21.8 17 17 A I E + 0 0 32 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.262 57.6 166.4 -55.6 136.4 16.8 -23.2 20.4 18 18 A Y E -A 26 0A 29 8,-2.7 8,-2.9 -4,-0.1 2,-0.4 -0.921 38.2-102.3-143.7 170.1 16.5 -23.9 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.849 34.8-141.2 -97.0 134.6 18.5 -25.1 13.7 20 20 A D > - 0 0 50 4,-2.5 3,-1.8 -2,-0.4 -1,-0.1 -0.072 43.6 -75.4 -80.7-171.2 19.7 -22.4 11.3 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.753 135.9 48.5 -60.4 -24.7 19.9 -22.8 7.5 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.493 122.0-105.2 -92.3 -6.8 23.0 -24.9 7.9 23 23 A G S < S+ 0 0 35 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.589 73.8 141.9 90.9 13.5 21.4 -27.1 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.644 60.1-101.3 -91.4 146.0 23.4 -25.6 13.5 25 25 A Y E +AB 19 34A 29 9,-1.0 8,-2.8 11,-0.4 9,-1.3 -0.477 55.2 161.0 -68.7 129.4 22.0 -24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.915 19.1-168.7-147.0 158.5 21.1 -21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 2,-0.2 -0.986 51.5 0.4-151.4 161.2 18.9 -19.0 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.6 -14,-1.7 -2,-0.3 2,-1.0 -0.403 123.8 -3.9 68.2-129.6 17.6 -15.4 19.5 29 29 A I T 4 S- 0 0 5 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.624 127.7 -55.1-101.4 72.2 18.7 -13.2 16.6 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.762 82.9 161.0 66.3 28.6 21.0 -15.5 14.7 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.7 -20,-0.1 2,-0.2 -0.713 33.6-141.3 -83.9 104.4 23.3 -16.3 17.7 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.457 20.7-177.8 -66.1 128.9 25.1 -19.5 16.8 33 33 A L E - 0 0 15 -8,-2.8 2,-0.3 1,-0.3 -7,-0.2 0.867 59.4 -28.3 -92.8 -46.1 25.5 -21.7 19.8 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-1.0 2,-0.1 -1,-0.3 -0.976 33.8-137.1-169.8 152.4 27.5 -24.6 18.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.519 75.0 110.0 -94.9 -7.7 28.2 -26.6 15.3 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.430 73.5-133.0 -65.0 139.0 28.0 -29.9 17.3 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.459 75.2 108.2 -72.6 -1.3 25.0 -32.0 16.5 38 38 A S > - 0 0 51 1,-0.2 4,-1.7 -13,-0.0 5,-0.1 -0.697 56.2-160.5 -87.2 122.3 24.3 -32.5 20.3 39 39 A L H > S+ 0 0 74 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.826 95.9 55.3 -64.8 -32.6 21.3 -30.6 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 104.7 51.3 -67.9 -42.4 22.9 -31.0 25.2 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 111.5 50.0 -57.3 -38.9 26.1 -29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.906 109.6 48.9 -68.6 -43.0 23.9 -26.5 22.7 43 43 A K H X S+ 0 0 49 -4,-2.3 4,-2.7 2,-0.2 11,-0.2 0.882 110.6 51.9 -63.8 -38.0 22.0 -26.2 25.9 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.898 110.0 48.4 -64.9 -41.2 25.3 -26.1 27.8 45 45 A E H X S+ 0 0 65 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.898 111.3 51.3 -64.3 -40.5 26.5 -23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.941 109.3 48.5 -61.5 -50.1 23.3 -21.4 26.0 47 47 A D H X>S+ 0 0 40 -4,-2.7 4,-2.4 1,-0.2 5,-1.1 0.894 114.1 48.3 -56.7 -41.6 23.5 -21.6 29.8 48 48 A K H <5S+ 0 0 142 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.902 112.6 46.7 -65.8 -44.2 27.1 -20.4 29.6 49 49 A A H <5S+ 0 0 42 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.855 122.5 35.3 -67.0 -36.0 26.3 -17.5 27.3 50 50 A I H <5S- 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.744 102.7-128.6 -93.0 -28.0 23.3 -16.4 29.3 51 51 A G T <5S+ 0 0 64 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.844 73.9 72.6 81.9 35.6 24.7 -17.2 32.8 52 52 A R S - 0 0 12 -2,-0.9 3,-0.6 -11,-0.2 -1,-0.2 0.832 35.2-143.5 -98.5 -37.3 17.8 -22.0 30.9 55 55 A N T 3 S- 0 0 122 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.879 75.3 -56.4 63.9 37.6 16.5 -25.3 29.6 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.383 115.4 100.8 84.3 -2.9 16.6 -24.0 26.0 57 57 A V B < -C 16 0B 66 -3,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.964 44.3-179.4-121.0 131.0 14.4 -21.0 26.4 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.796 26.0-110.4-120.8 166.0 15.5 -17.3 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.403 31.1-108.8 -88.6 169.7 13.7 -14.0 27.3 60 60 A K H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 120.6 54.0 -66.4 -38.3 13.5 -11.2 24.7 61 61 A D H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.853 110.2 47.5 -61.5 -37.4 15.8 -9.1 26.8 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 109.6 51.9 -72.3 -42.6 18.3 -11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -34,-0.5 0.892 112.2 47.7 -57.8 -40.4 18.0 -12.4 23.1 64 64 A E H X S+ 0 0 86 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.833 107.7 54.2 -73.4 -33.4 18.7 -8.7 22.6 65 65 A K H X S+ 0 0 138 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.930 109.6 47.7 -64.0 -45.1 21.6 -8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.885 111.3 53.1 -59.3 -38.5 23.2 -11.5 22.9 67 67 A F H X S+ 0 0 14 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.935 107.0 49.9 -64.0 -48.9 22.4 -9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.910 112.7 47.8 -53.7 -46.5 24.1 -6.3 21.1 69 69 A Q H X S+ 0 0 93 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.871 111.6 50.4 -63.2 -40.4 27.3 -8.3 22.0 70 70 A D H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.869 111.3 46.6 -69.5 -39.5 27.3 -10.0 18.5 71 71 A V H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.919 113.7 48.7 -68.5 -43.1 27.0 -6.8 16.6 72 72 A D H X S+ 0 0 88 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.916 113.2 48.3 -60.3 -43.5 29.7 -5.2 18.7 73 73 A A H X S+ 0 0 45 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 109.9 51.4 -64.8 -44.3 31.9 -8.2 18.2 74 74 A A H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.951 111.0 48.1 -58.5 -49.8 31.3 -8.3 14.4 75 75 A V H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 114.2 45.9 -56.6 -46.6 32.3 -4.6 14.1 76 76 A R H X S+ 0 0 116 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.814 107.6 57.5 -70.9 -29.6 35.4 -5.1 16.2 77 77 A G H X S+ 0 0 4 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.914 108.1 48.2 -61.6 -43.0 36.4 -8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 7,-0.4 0.934 111.0 49.7 -60.9 -47.0 36.3 -6.1 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.745 113.3 46.1 -69.1 -23.8 38.4 -3.3 12.7 80 80 A R H 3< S+ 0 0 171 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.2 0.581 95.3 92.6 -91.7 -13.0 41.1 -5.8 13.9 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.4 0.878 102.0 65.6 -90.0 -41.3 38.6 -6.2 6.3 85 85 A K H X S+ 0 0 85 -4,-2.2 4,-2.8 -7,-0.4 5,-0.2 0.878 100.8 50.1 -52.9 -46.6 39.6 -2.9 8.0 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.883 112.6 47.8 -61.4 -38.8 40.8 -1.1 4.8 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.4 3,-0.4 0.957 113.3 46.9 -65.5 -50.9 37.6 -2.0 3.0 88 88 A Y H >< S+ 0 0 37 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.925 109.9 54.3 -53.5 -50.0 35.3 -0.9 5.8 89 89 A D H 3< S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.7 49.5 -54.9 -35.6 37.3 2.4 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.640 96.9 89.4 -81.5 -16.1 36.7 3.1 2.5 91 91 A L S << S- 0 0 5 -3,-1.2 31,-0.0 -4,-0.9 2,-0.0 -0.461 75.6-116.3 -88.4 154.1 32.9 2.5 2.5 92 92 A D > - 0 0 56 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.244 43.9 -92.8 -72.1 173.4 30.1 4.9 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.824 122.0 48.5 -65.2 -34.2 27.8 4.3 6.2 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.956 112.5 46.6 -71.4 -48.8 25.2 2.2 4.4 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.795 105.7 61.7 -65.1 -28.3 27.6 -0.2 2.6 96 96 A R H X S+ 0 0 76 -4,-1.8 4,-2.3 2,-0.2 -1,-0.3 0.894 100.6 53.6 -61.1 -41.6 29.5 -0.6 6.0 97 97 A A H X S+ 0 0 7 -4,-1.2 4,-2.4 -3,-0.5 -2,-0.2 0.900 105.6 54.5 -57.5 -42.1 26.3 -2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.899 108.3 48.0 -58.8 -43.0 26.3 -4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.914 110.8 50.8 -65.6 -41.8 29.8 -5.6 5.4 100 100 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.886 107.2 55.5 -62.2 -38.7 28.9 -6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.932 108.3 47.0 -58.9 -49.0 25.9 -8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.929 113.5 47.8 -57.8 -49.3 28.1 -10.5 6.0 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 109.9 53.3 -61.2 -42.2 30.6 -10.8 8.9 104 104 A F H < S+ 0 0 29 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.902 116.1 40.3 -56.2 -42.9 27.7 -11.4 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 133.6 14.8 -77.7 -41.1 26.4 -14.3 9.1 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.383 104.8-110.7-125.1 4.8 29.6 -16.0 8.1 107 107 A G H X - 0 0 31 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.153 32.0 -78.5 85.8 159.3 32.4 -14.8 10.3 108 108 A E H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.870 128.7 49.3 -64.0 -40.0 35.5 -12.7 9.9 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.908 109.8 52.0 -65.5 -43.4 37.5 -15.5 8.3 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.9 1,-0.2 -2,-0.2 0.918 111.8 43.7 -60.9 -47.8 34.8 -16.3 5.9 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.2 -1,-0.2 0.878 105.2 62.6 -67.7 -38.0 34.3 -12.7 4.6 112 112 A A H 3< S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.664 94.3 66.1 -62.0 -15.1 38.1 -12.2 4.4 113 113 A G T << S+ 0 0 56 -3,-0.9 2,-1.1 -4,-0.6 -1,-0.3 0.503 74.8 85.4 -84.6 -6.9 38.1 -15.0 1.8 114 114 A F <> + 0 0 37 -3,-2.3 4,-2.7 1,-0.2 5,-0.2 -0.306 57.5 157.3 -85.4 50.6 36.1 -12.9 -0.7 115 115 A T H > + 0 0 78 -2,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.826 67.2 43.0 -46.9 -49.0 39.5 -11.5 -1.8 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.881 113.9 49.8 -70.0 -41.2 38.3 -10.4 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 108.8 54.1 -63.0 -41.3 35.0 -8.9 -4.1 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.891 107.2 50.2 -61.5 -41.2 36.7 -6.9 -1.4 119 119 A R H X S+ 0 0 107 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.876 110.5 49.4 -66.4 -38.0 39.2 -5.3 -3.9 120 120 A M H <>S+ 0 0 29 -4,-1.7 5,-3.0 2,-0.2 4,-0.3 0.849 110.0 51.3 -69.7 -34.9 36.3 -4.3 -6.2 121 121 A L H ><5S+ 0 0 3 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.909 108.6 51.3 -66.7 -41.7 34.4 -2.8 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.886 110.7 48.0 -62.7 -37.8 37.5 -0.8 -2.3 123 123 A Q T 3<5S- 0 0 103 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.525 115.2-121.9 -78.0 -5.9 37.8 0.5 -5.9 124 124 A K T < 5 + 0 0 101 -3,-1.0 2,-1.1 -4,-0.3 -3,-0.2 0.851 60.4 149.8 63.6 38.5 34.0 1.3 -5.7 125 125 A R >< + 0 0 113 -5,-3.0 4,-2.8 1,-0.2 5,-0.2 -0.697 17.1 172.3 -95.0 78.4 33.2 -0.9 -8.7 126 126 A W H > S+ 0 0 52 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.893 70.1 45.1 -62.7 -49.0 29.7 -1.7 -7.4 127 127 A D H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 116.7 46.5 -61.0 -44.6 28.2 -3.5 -10.4 128 128 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.908 112.7 49.1 -65.5 -43.7 31.3 -5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.900 108.1 55.3 -60.7 -42.3 31.6 -6.4 -7.1 130 130 A A H X S+ 0 0 5 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.929 108.9 46.8 -56.8 -49.4 27.9 -7.4 -7.1 131 131 A V H X S+ 0 0 75 -4,-2.0 4,-0.6 1,-0.2 3,-0.2 0.916 114.2 47.0 -58.6 -46.5 28.4 -10.0 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.867 108.5 55.8 -64.6 -37.0 31.5 -11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.830 101.6 57.7 -63.8 -33.2 29.7 -11.6 -4.8 134 134 A A H 3< S+ 0 0 29 -4,-1.4 2,-1.6 -3,-0.2 -1,-0.2 0.666 86.6 80.5 -74.5 -17.4 26.9 -13.7 -6.4 135 135 A K S << S+ 0 0 155 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 -0.517 80.5 98.4 -86.5 68.9 29.5 -16.4 -7.5 136 136 A S S > S- 0 0 16 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.991 84.6-117.6-154.9 151.9 29.6 -18.0 -4.1 137 137 A R H > S+ 0 0 154 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.915 116.2 62.2 -55.4 -41.3 28.3 -20.8 -2.0 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.896 104.5 44.4 -51.7 -48.6 26.8 -18.0 0.2 139 139 A Y H 4 S+ 0 0 63 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.1 48.5 -64.4 -42.3 24.6 -16.7 -2.7 140 140 A N H < S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.816 115.2 42.9 -71.5 -31.5 23.5 -20.2 -3.7 141 141 A Q H < S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 131.1 21.9 -82.1 -39.9 22.6 -21.4 -0.2 142 142 A T S X S+ 0 0 18 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 -0.609 72.9 162.4-128.8 75.1 20.8 -18.2 1.0 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.873 71.7 49.5 -63.1 -48.0 19.8 -16.4 -2.3 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.926 116.8 41.1 -62.4 -46.0 17.1 -13.9 -0.9 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.940 115.3 50.1 -68.1 -47.6 19.4 -12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 -8,-0.2 5,-0.2 0.922 108.9 54.1 -54.2 -46.1 22.5 -12.5 -0.2 147 147 A K H X S+ 0 0 95 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.891 108.1 49.6 -54.0 -43.5 20.5 -10.6 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.919 114.6 43.0 -64.6 -44.1 19.5 -8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.903 115.3 49.8 -69.7 -40.9 23.0 -7.6 1.0 150 150 A I H X S+ 0 0 12 -4,-3.3 4,-2.2 -5,-0.2 -2,-0.2 0.898 109.0 51.3 -64.3 -41.2 24.4 -7.5 -2.5 151 151 A C H X S+ 0 0 58 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.888 107.7 54.2 -64.5 -36.8 21.8 -4.9 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.914 109.1 47.5 -61.5 -43.2 22.8 -2.8 -0.7 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.3 47.4 -63.1 -37.2 26.4 -2.9 -1.8 154 154 A R H < S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.911 124.4 25.0 -73.3 -43.4 25.3 -2.0 -5.4 155 155 A T H < S- 0 0 71 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.723 86.0-135.5 -98.4 -25.1 23.0 0.9 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.1 2,-0.2 -5,-0.4 -62,-0.2 0.672 72.4 104.0 72.6 17.1 24.3 2.3 -1.3 157 157 A T S S- 0 0 50 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.742 80.3-120.6-122.5 172.6 20.6 2.6 -0.2 158 158 A W S > S+ 0 0 39 -2,-0.2 3,-2.0 1,-0.2 4,-0.4 0.150 73.9 118.0 -95.5 16.6 18.3 0.7 2.1 159 159 A D G > + 0 0 109 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.760 65.1 61.4 -63.2 -28.3 15.8 -0.1 -0.7 160 160 A A G 3 S+ 0 0 38 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.682 109.8 45.8 -67.6 -14.9 16.2 -3.9 -0.5 161 161 A Y G < 0 0 18 -3,-2.0 -1,-0.2 -13,-0.1 -2,-0.2 0.420 360.0 360.0-111.3 -1.9 15.0 -3.6 3.1 162 162 A K < 0 0 164 -3,-0.8 -3,-0.0 -4,-0.4 0, 0.0 -0.438 360.0 360.0-104.7 360.0 11.9 -1.3 2.7