==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-05 2B6W . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.D.COLLINS,M.L.QUILLIN,B.W.MATTHEWS,S.M.GRUNER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.3 43.2 -1.9 9.0 2 2 A N > - 0 0 67 156,-0.0 4,-2.7 1,-0.0 5,-0.2 -0.928 360.0 -81.6-155.0 173.3 40.0 -0.7 10.6 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.859 125.8 52.5 -51.0 -42.1 37.8 2.4 11.1 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.945 113.7 40.8 -59.5 -52.0 39.9 3.6 14.0 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.856 114.8 54.4 -65.7 -36.7 43.3 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 3,-0.3 0.963 112.4 41.0 -62.3 -54.4 41.6 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.813 110.4 58.7 -66.6 -31.0 40.3 7.9 10.8 8 8 A R H X S+ 0 0 98 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.882 109.2 44.8 -62.6 -38.2 43.6 8.2 12.7 9 9 A I H < S+ 0 0 83 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.952 118.1 43.9 -67.5 -48.1 45.4 8.5 9.3 10 10 A D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.766 125.2 30.3 -69.9 -30.0 42.9 10.9 7.9 11 11 A E H < S- 0 0 48 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.742 90.6-153.4-103.7 -28.5 42.6 13.2 11.0 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.296 24.0 -89.3 76.8-173.1 46.0 13.0 12.7 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.943 41.6 171.5-140.4 117.4 46.5 13.6 16.4 14 14 A R E -A 28 0A 145 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -0.998 18.8-160.6-129.4 133.4 47.2 16.9 18.0 15 15 A L E S+ 0 0 70 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.464 75.1 60.1 -90.8 -4.8 47.2 17.4 21.8 16 16 A K E S-C 57 0B 89 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.922 102.8 -84.1-124.5 147.3 46.7 21.1 21.8 17 17 A I E + 0 0 16 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.220 57.8 170.1 -52.5 135.3 43.7 23.0 20.3 18 18 A Y E -A 26 0A 24 8,-3.0 8,-2.8 -4,-0.1 2,-0.4 -0.856 36.6-102.0-139.1 170.5 44.1 23.7 16.6 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.858 35.4-139.4 -98.3 137.2 42.1 24.9 13.7 20 20 A D > - 0 0 45 4,-2.3 3,-1.6 -2,-0.4 -1,-0.1 -0.046 41.3 -78.6 -82.7-169.1 40.7 22.2 11.3 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.700 134.5 49.7 -69.7 -20.7 40.6 22.5 7.5 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.462 124.4-103.5 -92.3 -3.9 37.5 24.7 7.7 23 23 A G S < S+ 0 0 37 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.631 74.5 141.9 88.1 18.3 39.2 27.0 10.3 24 24 A Y - 0 0 74 1,-0.1 -4,-2.3 9,-0.0 -1,-0.3 -0.776 60.5-102.0-100.5 139.1 37.3 25.5 13.4 25 25 A Y E +AB 19 34A 31 9,-0.6 8,-2.6 11,-0.4 9,-1.2 -0.319 55.5 162.2 -55.2 126.6 38.7 24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-3.0 6,-0.3 2,-0.3 -0.909 19.5-164.2-143.9 158.3 39.4 21.2 17.1 27 27 A I E > - B 0 31A 0 4,-2.0 4,-2.3 -2,-0.3 2,-0.2 -0.984 50.7 -4.1-143.7 159.3 41.5 18.9 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.8 -0.396 123.2 -3.3 74.2-129.8 42.8 15.4 19.4 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.631 129.3 -53.1-102.8 72.0 41.8 13.1 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.1 -19,-0.3 -2,-0.2 0.784 83.8 160.0 67.4 29.0 39.5 15.4 14.7 31 31 A H E < -B 27 0A 31 -4,-2.3 -4,-2.0 32,-0.0 -1,-0.2 -0.713 32.3-146.1 -85.9 102.0 37.3 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 -0.433 17.9-176.0 -66.2 129.7 35.6 19.5 16.7 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.893 59.3 -26.3 -93.6 -48.1 35.0 21.8 19.7 34 34 A T E -B 25 0A 31 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.950 37.8-136.2-164.7 150.1 33.1 24.7 18.3 35 35 A K S S+ 0 0 136 -2,-0.3 -9,-0.0 -11,-0.2 -1,-0.0 0.443 74.3 109.9 -87.1 -1.4 32.5 26.6 15.1 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.492 75.0-128.5 -79.3 143.7 32.7 29.9 16.9 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.425 77.9 106.1 -71.7 4.3 35.8 32.2 16.3 38 38 A S > - 0 0 46 1,-0.2 4,-1.5 -13,-0.0 -2,-0.1 -0.740 55.7-162.3 -95.2 121.9 36.5 32.4 20.0 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.818 95.0 58.4 -67.9 -27.9 39.3 30.5 21.5 40 40 A N H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 103.0 50.7 -69.2 -39.3 37.7 31.0 24.9 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 111.0 51.0 -59.9 -38.1 34.6 29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.941 108.9 49.6 -63.5 -49.4 36.8 26.4 22.4 43 43 A K H X S+ 0 0 47 -4,-2.4 4,-2.1 1,-0.2 11,-0.3 0.871 112.4 47.8 -60.8 -38.1 38.6 26.0 25.7 44 44 A S H X S+ 0 0 69 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.889 110.7 49.8 -76.7 -36.4 35.4 25.9 27.6 45 45 A E H X S+ 0 0 67 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 112.6 51.7 -59.2 -40.3 33.9 23.3 25.2 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.886 107.3 48.3 -64.7 -43.6 37.1 21.4 25.8 47 47 A D H X>S+ 0 0 36 -4,-2.1 4,-2.5 1,-0.2 5,-1.0 0.907 113.2 50.6 -63.0 -39.5 37.0 21.5 29.6 48 48 A K H <5S+ 0 0 143 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.858 111.3 47.4 -61.5 -41.3 33.3 20.4 29.4 49 49 A A H <5S+ 0 0 41 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 122.6 33.9 -70.2 -39.0 34.3 17.5 27.0 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.715 102.9-128.5 -88.8 -27.1 37.2 16.3 29.2 51 51 A G T <5S+ 0 0 65 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.739 75.5 70.5 83.1 25.3 35.7 17.1 32.6 52 52 A R S - 0 0 11 -2,-1.0 3,-0.6 -11,-0.3 -1,-0.2 0.816 33.3-146.9 -93.1 -33.8 42.6 21.7 30.6 55 55 A N T 3 S- 0 0 108 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.904 75.6 -55.3 53.2 41.4 43.8 25.1 29.4 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.495 118.2 97.0 83.4 7.9 43.7 23.8 25.8 57 57 A V B < +C 16 0B 73 -3,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.982 44.8 177.5-131.3 140.8 46.0 20.8 26.2 58 58 A I - 0 0 4 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.891 28.7-107.0-137.3 163.6 44.9 17.2 26.8 59 59 A T > - 0 0 67 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.416 32.8-107.3 -86.5 172.3 46.8 13.9 27.1 60 60 A K H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 121.3 54.4 -62.6 -44.7 46.9 11.1 24.5 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 110.2 48.2 -55.0 -43.8 44.6 8.9 26.6 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 110.1 50.6 -66.9 -39.5 42.1 11.8 26.6 63 63 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -34,-0.4 0.909 111.8 48.8 -62.8 -41.1 42.3 12.3 22.9 64 64 A E H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.813 107.6 54.6 -70.9 -31.9 41.7 8.6 22.3 65 65 A K H X S+ 0 0 139 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.944 109.8 45.6 -65.3 -50.1 38.7 8.7 24.7 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 111.9 54.5 -53.9 -42.2 37.0 11.5 22.7 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.944 106.6 49.7 -59.7 -48.5 37.9 9.6 19.5 68 68 A N H X S+ 0 0 87 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.926 112.7 47.3 -55.9 -46.0 36.2 6.4 20.8 69 69 A Q H X S+ 0 0 87 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.885 112.8 49.8 -62.6 -42.0 33.0 8.4 21.6 70 70 A D H X S+ 0 0 32 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.863 110.8 47.4 -70.4 -38.8 33.1 10.1 18.2 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.948 115.0 48.3 -64.1 -43.7 33.5 6.9 16.2 72 72 A D H X S+ 0 0 88 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.929 111.6 48.9 -59.0 -49.9 30.6 5.5 18.4 73 73 A A H X S+ 0 0 42 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.870 109.4 52.7 -60.5 -37.1 28.5 8.6 17.8 74 74 A A H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 109.7 47.8 -65.5 -46.7 29.1 8.5 14.1 75 75 A V H X S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.950 114.0 47.5 -56.8 -49.7 28.0 4.8 13.9 76 76 A R H X S+ 0 0 117 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.877 107.6 56.1 -62.2 -39.6 24.9 5.6 15.9 77 77 A G H X S+ 0 0 5 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.921 110.0 46.0 -56.5 -45.7 24.1 8.6 13.7 78 78 A I H >< S+ 0 0 2 -4,-2.2 3,-1.3 2,-0.2 7,-0.5 0.960 113.3 48.4 -58.3 -52.9 24.1 6.3 10.7 79 79 A L H 3< S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.838 113.0 48.0 -63.8 -31.5 21.9 3.6 12.3 80 80 A R H 3< S+ 0 0 171 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.3 0.558 94.5 90.9 -81.8 -10.8 19.4 6.2 13.5 81 81 A N S+ 0 0 8 -6,-0.2 4,-2.5 -7,-0.2 3,-0.3 0.848 103.5 66.5 -86.9 -39.9 21.9 6.3 5.9 85 85 A K H X S+ 0 0 89 -4,-2.8 4,-2.5 -7,-0.5 5,-0.2 0.928 100.2 46.5 -58.5 -52.1 20.9 3.1 7.7 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.857 114.0 49.1 -67.1 -25.1 19.6 1.0 4.8 87 87 A V H > S+ 0 0 7 -4,-0.5 4,-0.8 -3,-0.3 -2,-0.2 0.923 111.8 49.0 -69.4 -46.0 22.7 1.9 2.7 88 88 A Y H >< S+ 0 0 30 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.929 109.1 52.3 -57.6 -49.4 25.1 1.0 5.5 89 89 A D H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.1 54.9 -58.5 -29.7 23.3 -2.4 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.688 95.6 88.4 -76.3 -22.1 23.7 -3.1 2.4 91 91 A L S << S- 0 0 5 -3,-1.2 31,-0.0 -4,-0.8 30,-0.0 -0.475 76.7-118.2 -82.3 150.8 27.5 -2.6 2.5 92 92 A D > - 0 0 57 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.208 44.8 -92.0 -70.0 175.1 30.4 -5.0 3.2 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.836 122.6 50.1 -67.5 -37.8 32.6 -4.3 6.2 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.3 62,-0.2 3,-0.4 0.951 112.7 46.0 -67.4 -45.9 35.3 -2.3 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.841 105.7 61.0 -69.3 -30.5 32.8 0.0 2.7 96 96 A R H X S+ 0 0 83 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.883 100.5 55.4 -56.6 -40.3 30.9 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.881 104.4 53.1 -59.6 -38.9 34.2 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.857 107.9 51.2 -63.5 -37.0 34.1 4.5 4.4 99 99 A A H X S+ 0 0 15 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.891 110.4 47.6 -67.1 -42.2 30.6 5.5 5.4 100 100 A I H X S+ 0 0 9 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.912 108.4 56.2 -62.9 -43.7 31.6 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.936 109.0 46.8 -52.6 -51.9 34.6 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.875 113.3 46.8 -56.4 -46.3 32.3 10.4 5.9 103 103 A V H X S+ 0 0 9 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.902 110.8 54.1 -66.7 -39.1 29.7 10.9 8.8 104 104 A F H < S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.8 40.4 -57.1 -46.6 32.6 11.5 11.2 105 105 A Q H < S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.893 134.4 14.4 -72.6 -44.7 34.0 14.3 9.0 106 106 A M H X S- 0 0 53 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.439 102.9-113.9-121.4 2.5 30.8 16.0 7.9 107 107 A G H X - 0 0 33 -4,-2.8 4,-2.1 -5,-0.2 5,-0.2 0.146 36.9 -73.1 80.6 160.8 28.0 14.8 10.2 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.824 128.8 49.3 -58.6 -42.0 24.8 12.8 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.905 108.5 52.7 -70.5 -45.1 23.0 15.6 7.7 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-1.8 2,-0.2 -2,-0.2 0.985 114.3 41.8 -49.1 -62.3 25.9 16.3 5.4 111 111 A V H >< S+ 0 0 6 -4,-2.1 3,-2.8 1,-0.3 -2,-0.2 0.915 106.2 61.2 -57.1 -48.5 26.2 12.7 4.3 112 112 A A H 3< S+ 0 0 18 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 95.7 66.6 -52.6 -18.5 22.4 12.1 4.1 113 113 A G T << S+ 0 0 57 -3,-1.8 2,-0.6 -4,-0.8 -1,-0.3 0.394 75.0 85.3 -80.1 -0.1 22.6 14.9 1.3 114 114 A F <> + 0 0 36 -3,-2.8 4,-2.7 1,-0.2 5,-0.2 -0.285 57.6 155.0 -93.1 52.4 24.6 12.7 -1.0 115 115 A T H > + 0 0 87 -2,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.844 67.7 42.6 -50.9 -51.3 21.2 11.3 -2.2 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.889 115.1 49.5 -65.4 -43.0 22.3 10.1 -5.6 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.883 108.9 53.7 -60.6 -43.4 25.6 8.6 -4.3 118 118 A L H X S+ 0 0 19 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.906 109.0 48.8 -59.0 -44.6 23.8 6.7 -1.5 119 119 A R H X S+ 0 0 125 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.940 112.2 47.3 -63.9 -47.5 21.4 5.2 -4.1 120 120 A M H <>S+ 0 0 34 -4,-2.2 5,-2.5 2,-0.2 4,-0.5 0.877 111.8 51.4 -64.2 -36.4 24.3 4.1 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.958 108.9 50.8 -62.6 -47.1 26.1 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.864 112.3 46.7 -56.4 -36.3 23.0 0.7 -2.3 123 123 A Q T 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.481 113.2-122.4 -85.4 -5.5 22.8 -0.7 -5.9 124 124 A K T < 5 + 0 0 96 -3,-1.6 2,-1.3 -4,-0.5 -3,-0.2 0.808 60.0 149.6 64.8 36.4 26.5 -1.5 -5.8 125 125 A R >< + 0 0 117 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.732 20.4 173.5 -93.6 82.3 27.3 0.6 -8.8 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.868 67.2 46.4 -72.1 -43.2 30.8 1.4 -7.4 127 127 A D H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 115.6 47.8 -66.1 -39.6 32.5 3.2 -10.3 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.889 110.4 50.8 -68.3 -42.2 29.4 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.923 108.5 54.4 -56.7 -44.5 29.1 6.2 -7.0 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.869 109.2 46.0 -58.7 -45.4 32.8 7.1 -7.0 131 131 A V H X S+ 0 0 90 -4,-1.7 4,-0.6 2,-0.2 3,-0.2 0.924 115.8 46.4 -63.1 -48.5 32.3 9.7 -9.9 132 132 A N H >< S+ 0 0 36 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.924 107.7 56.2 -62.2 -43.6 29.2 11.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.3 1,-0.2 -1,-0.2 0.845 103.5 56.6 -54.5 -38.6 30.9 11.3 -4.7 134 134 A A H 3< S+ 0 0 24 -4,-1.2 2,-1.7 -3,-0.2 -1,-0.2 0.647 85.8 80.3 -70.8 -21.5 33.7 13.5 -6.3 135 135 A K S << S+ 0 0 154 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.585 80.8 98.6 -84.3 72.0 31.3 16.1 -7.6 136 136 A S S > S- 0 0 18 -2,-1.7 4,-2.1 1,-0.1 3,-0.2 -0.990 85.9-116.7-156.8 150.4 31.1 17.8 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.907 116.2 63.6 -54.8 -43.1 32.4 20.6 -2.1 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.904 106.3 40.6 -43.5 -54.1 33.8 17.8 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.890 115.7 50.4 -69.1 -42.1 36.1 16.5 -2.6 140 140 A N H < S+ 0 0 112 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.857 115.4 42.3 -67.3 -33.2 37.1 20.0 -3.9 141 141 A Q H < S+ 0 0 107 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.836 132.3 20.0 -81.8 -36.5 38.1 21.2 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 -0.568 73.1 161.3-129.8 67.6 39.8 18.0 0.9 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.871 71.1 51.7 -61.3 -39.3 40.8 16.1 -2.3 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.942 116.2 39.7 -65.3 -46.5 43.5 13.8 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 116.9 49.7 -64.8 -49.3 41.3 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -8,-0.2 5,-0.2 0.905 107.6 54.6 -58.1 -43.4 38.2 12.3 -0.1 147 147 A K H X S+ 0 0 101 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.899 108.2 50.4 -56.9 -41.3 40.1 10.4 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.3 2,-0.2 12,-0.2 0.907 113.9 43.5 -61.2 -43.2 41.1 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.912 114.0 50.7 -70.7 -42.1 37.5 7.4 1.1 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.903 108.6 51.6 -62.1 -44.4 36.1 7.3 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.4 1,-0.2 6,-0.4 0.788 107.5 54.3 -61.1 -32.8 38.6 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.911 111.0 43.5 -69.8 -43.4 37.6 2.6 -0.5 153 153 A F H < S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.838 116.8 50.7 -65.8 -33.6 33.9 2.7 -1.6 154 154 A R H < S+ 0 0 104 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.915 125.4 19.9 -72.5 -44.7 35.0 2.0 -5.1 155 155 A T H < S- 0 0 41 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.639 85.9-134.5-102.2 -21.9 37.2 -1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.0 2,-0.3 -5,-0.3 -62,-0.2 0.782 73.4 103.2 64.8 27.3 36.0 -2.4 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.826 80.7-119.3-131.0 171.2 39.7 -2.8 -0.1 158 158 A W S >> S+ 0 0 44 -2,-0.3 3,-2.4 1,-0.2 4,-0.7 0.164 71.9 121.8 -94.8 15.3 42.1 -0.8 2.1 159 159 A D G >4 + 0 0 91 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.809 68.0 57.2 -49.4 -39.3 44.5 -0.1 -0.7 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.679 109.2 48.2 -68.9 -13.5 44.3 3.7 -0.4 161 161 A Y G <4 0 0 17 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.534 360.0 360.0-107.2 -6.7 45.4 3.4 3.2 162 162 A K << 0 0 177 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.828 360.0 360.0-101.7 360.0 48.4 1.1 2.7