==== 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 1C6D . 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) . 8712.0 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 . 11 6.8 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 2 1 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.6 43.3 -1.8 9.2 2 2 A N > - 0 0 69 95,-0.0 4,-3.3 156,-0.0 5,-0.2 -0.902 360.0 -80.3-154.3 175.4 40.1 -0.7 10.7 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.835 125.9 52.9 -53.5 -38.2 38.1 2.5 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.955 113.7 40.2 -63.9 -53.4 40.2 3.5 14.1 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.864 114.8 55.9 -63.8 -38.2 43.4 3.2 12.3 6 6 A M H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 3,-0.3 0.963 110.6 41.2 -61.1 -52.0 41.8 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.776 108.0 61.4 -69.5 -20.8 40.6 7.8 10.9 8 8 A R H X S+ 0 0 99 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.871 107.3 46.8 -72.4 -30.3 43.9 8.3 12.9 9 9 A I H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.942 115.2 44.9 -71.3 -45.8 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.833 125.8 29.4 -67.2 -34.0 43.1 10.9 8.1 11 11 A E H < S- 0 0 46 -4,-2.5 19,-0.4 -5,-0.2 -1,-0.2 0.662 90.5-153.7-102.2 -21.3 42.9 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 -0.178 27.1 -85.5 72.7-169.2 46.3 12.9 12.8 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.979 42.7 173.3-139.7 122.9 46.7 13.5 16.6 14 14 A R E -A 28 0A 143 14,-1.6 14,-2.7 -2,-0.3 4,-0.1 -0.994 17.9-163.8-133.7 130.6 47.3 16.9 18.3 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.481 74.8 62.7 -90.1 -9.6 47.3 17.5 22.0 16 16 A K E S-C 57 0B 108 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.841 101.6 -87.5-116.6 151.2 46.9 21.3 21.9 17 17 A I E + 0 0 20 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.299 57.4 171.5 -56.3 137.3 43.9 23.1 20.5 18 18 A Y E -A 26 0A 20 8,-3.5 8,-2.7 -4,-0.1 2,-0.4 -0.903 34.7-104.5-142.4 173.4 44.2 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 -0.840 34.1-137.3-100.2 143.3 42.3 24.9 13.9 20 20 A D > - 0 0 47 4,-3.0 3,-3.2 -2,-0.4 -1,-0.0 -0.147 40.7 -80.0 -83.9-176.3 41.0 22.4 11.4 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 136.3 48.6 -60.4 -19.9 41.0 22.7 7.6 22 22 A E T 3 S- 0 0 86 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.349 124.0-106.9 -96.5 5.0 37.9 24.9 7.8 23 23 A G S < S+ 0 0 39 -3,-3.2 2,-0.3 1,-0.3 -2,-0.1 0.659 72.9 140.3 78.4 25.0 39.6 27.0 10.6 24 24 A Y - 0 0 65 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.779 60.6 -97.8-103.6 150.5 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-3.3 11,-0.4 9,-1.3 -0.436 56.2 155.4 -67.9 127.4 38.8 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.7 -8,-3.5 6,-0.3 2,-0.3 -0.901 20.7-168.6-143.2 168.1 39.6 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.990 52.2 8.1-151.8 165.7 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.6 -2,-0.3 2,-1.0 -0.526 122.5 -7.5 74.6-141.7 42.8 15.3 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.748 128.2 -54.7-100.0 70.7 42.0 13.1 16.7 30 30 A G T 4 S+ 0 0 13 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.755 82.9 161.4 63.8 34.6 39.7 15.5 14.9 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-1.7 1,-0.0 -1,-0.2 -0.696 33.4-142.4 -89.8 104.8 37.4 16.3 17.8 32 32 A L E -B 26 0A 70 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.400 17.3-171.0 -65.5 134.1 35.8 19.5 16.8 33 33 A L E - 0 0 13 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.892 57.2 -29.8 -94.3 -43.8 35.3 21.8 19.7 34 34 A T E -B 25 0A 31 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.944 38.7-127.8-170.1 157.1 33.2 24.6 18.4 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.464 75.9 116.2 -89.8 -3.7 32.4 26.5 15.3 36 36 A S - 0 0 36 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.417 68.4-137.8 -76.0 144.8 33.1 29.7 17.2 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.470 76.7 103.3 -73.9 -8.0 35.9 32.2 16.6 38 38 A S > - 0 0 54 1,-0.2 4,-1.7 2,-0.0 5,-0.2 -0.693 57.1-161.9 -87.3 118.5 36.4 32.5 20.3 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.884 95.0 53.6 -65.9 -32.4 39.4 30.7 21.7 40 40 A N H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 104.3 53.4 -70.1 -32.1 37.9 30.9 25.1 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 109.8 49.9 -63.7 -37.7 34.7 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.906 109.5 49.9 -66.9 -43.0 36.8 26.5 22.6 43 43 A K H X S+ 0 0 61 -4,-2.3 4,-2.2 2,-0.2 11,-0.3 0.883 110.4 51.0 -64.1 -37.1 38.7 26.2 25.9 44 44 A S H X S+ 0 0 70 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.927 111.7 47.2 -65.6 -46.1 35.3 26.1 27.8 45 45 A E H X S+ 0 0 65 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.914 111.6 51.3 -64.6 -43.7 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 5,-0.3 0.924 109.0 49.1 -63.3 -40.3 37.2 21.4 25.9 47 47 A D H X>S+ 0 0 37 -4,-2.2 4,-2.3 1,-0.2 5,-1.5 0.918 110.9 51.9 -62.8 -37.1 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.5 48.7 -66.3 -36.8 33.5 20.4 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 119.7 36.6 -74.4 -30.7 34.3 17.4 27.4 50 50 A I H <5S- 0 0 39 -4,-1.7 -2,-0.2 2,-0.3 -1,-0.2 0.673 102.3-127.0 -93.4 -30.9 37.2 16.2 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.836 76.3 73.3 84.2 31.0 35.8 17.1 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.737 28.9-147.2 -88.4 -26.7 42.7 21.7 30.8 55 55 A N T 3 S- 0 0 114 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.848 74.3 -54.9 60.2 30.8 44.1 25.0 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.2 2,-0.4 0.532 118.6 97.1 83.8 5.5 44.0 24.0 26.2 57 57 A V B < +C 16 0B 66 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.989 44.7 178.5-132.2 143.2 46.0 20.8 26.5 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.850 27.9-107.3-131.9 168.1 45.1 17.1 26.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.510 31.6-111.2 -90.3 166.2 46.8 13.8 27.2 60 60 A K H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 121.0 52.4 -61.1 -39.1 47.0 11.1 24.6 61 61 A D H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 110.3 47.3 -64.0 -42.3 44.8 8.9 26.7 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.902 111.5 51.4 -65.0 -43.2 42.2 11.8 26.9 63 63 A A H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -34,-0.4 0.927 111.5 48.8 -57.7 -43.5 42.5 12.4 23.1 64 64 A E H X S+ 0 0 73 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.870 107.2 54.5 -66.5 -30.8 41.9 8.6 22.6 65 65 A K H X S+ 0 0 145 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.931 109.9 45.2 -71.4 -42.8 38.9 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.891 111.4 55.2 -61.8 -36.0 37.2 11.4 23.0 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.949 107.3 49.8 -62.4 -50.8 38.1 9.6 19.7 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.922 112.3 47.1 -51.4 -49.3 36.4 6.4 20.9 69 69 A Q H X S+ 0 0 96 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.889 112.1 50.4 -63.1 -39.8 33.3 8.3 21.9 70 70 A D H X S+ 0 0 33 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.873 109.5 49.7 -67.3 -35.5 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.952 112.7 49.8 -68.0 -41.8 33.5 7.0 16.5 72 72 A D H X S+ 0 0 90 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.939 109.9 47.6 -59.0 -48.2 30.8 5.5 18.5 73 73 A A H X S+ 0 0 60 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.890 108.5 56.7 -60.8 -38.5 28.5 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.950 110.4 44.0 -58.6 -47.1 29.2 8.4 14.3 75 75 A V H X S+ 0 0 33 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.905 113.9 50.7 -63.0 -44.1 28.0 4.8 14.0 76 76 A R H X S+ 0 0 121 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.915 107.7 52.9 -64.9 -38.1 25.1 5.4 16.2 77 77 A G H X S+ 0 0 13 -4,-3.0 4,-0.8 -5,-0.3 -1,-0.2 0.911 108.5 50.1 -64.9 -38.0 24.1 8.4 14.1 78 78 A I H >< S+ 0 0 2 -4,-1.8 3,-1.2 -5,-0.2 7,-0.5 0.972 109.6 51.2 -61.3 -48.7 24.2 6.3 11.0 79 79 A L H 3< S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 110.7 47.8 -62.3 -27.0 22.0 3.5 12.5 80 80 A R H 3< S+ 0 0 208 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 0.625 91.7 97.9 -91.6 -8.4 19.4 5.9 13.6 81 81 A N S+ 0 0 7 -7,-0.2 4,-2.6 -6,-0.2 3,-0.4 0.888 100.9 66.4 -81.7 -44.2 21.8 6.2 6.1 85 85 A K H X S+ 0 0 80 -4,-3.1 4,-3.0 -7,-0.5 5,-0.2 0.901 97.8 51.3 -51.1 -49.5 21.0 2.9 7.7 86 86 A P H > S+ 0 0 48 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.878 113.5 46.2 -62.2 -32.0 19.8 1.0 4.7 87 87 A V H >> S+ 0 0 7 -4,-0.5 4,-0.9 -3,-0.4 3,-0.6 0.957 112.7 48.1 -72.6 -48.3 22.8 1.9 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.925 109.3 54.4 -59.8 -41.6 25.3 1.1 5.5 89 89 A D H 3< S+ 0 0 73 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.808 104.2 54.9 -67.0 -22.5 23.6 -2.2 6.1 90 90 A S H << S+ 0 0 41 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.693 95.3 91.6 -82.8 -13.8 23.9 -3.2 2.5 91 91 A L S << S- 0 0 8 -3,-1.0 2,-0.1 -4,-0.9 31,-0.0 -0.352 75.8-117.9 -77.7 157.0 27.7 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.370 43.2 -92.3 -81.4 171.2 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.854 122.3 50.3 -56.3 -42.0 32.8 -4.3 6.1 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.5 2,-0.2 3,-0.4 0.945 111.6 48.1 -64.4 -47.9 35.4 -2.3 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.880 105.2 58.5 -63.1 -37.8 32.9 0.0 2.7 96 96 A R H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.888 100.9 56.2 -59.1 -35.7 31.2 0.7 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.912 105.6 53.1 -63.2 -38.7 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.908 107.9 50.0 -60.0 -41.6 34.4 4.4 4.4 99 99 A A H X S+ 0 0 16 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.893 109.1 51.5 -67.8 -36.1 30.9 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.920 105.2 54.7 -67.6 -39.1 31.8 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.950 108.8 50.3 -56.0 -46.1 34.9 8.3 8.0 102 102 A M H X S+ 0 0 5 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.940 112.5 44.3 -57.5 -51.7 32.6 10.5 6.0 103 103 A V H X S+ 0 0 10 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.900 111.2 56.3 -60.6 -38.1 30.0 11.0 8.8 104 104 A F H < S+ 0 0 30 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.933 115.3 37.2 -59.2 -44.2 32.9 11.5 11.2 105 105 A Q H < S+ 0 0 56 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.879 135.0 14.7 -76.7 -44.9 34.2 14.3 9.0 106 106 A M H X S- 0 0 57 -4,-2.9 4,-0.7 -5,-0.2 -3,-0.2 0.428 103.2-110.2-117.1 1.3 31.0 16.1 7.8 107 107 A G H X - 0 0 30 -4,-2.2 4,-2.6 -5,-0.4 5,-0.2 0.196 30.6 -82.0 79.6 152.4 28.1 14.9 9.9 108 108 A E H > S+ 0 0 69 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 128.2 52.2 -54.1 -47.9 25.2 12.7 9.4 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.942 109.3 50.9 -58.9 -47.7 23.2 15.5 7.9 110 110 A G H >< S+ 0 0 30 -4,-0.7 3,-0.9 1,-0.2 -2,-0.2 0.920 113.6 42.6 -57.8 -55.9 26.0 16.2 5.5 111 111 A V H >< S+ 0 0 6 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.801 105.7 63.0 -60.9 -35.3 26.4 12.6 4.3 112 112 A A H 3< S+ 0 0 19 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.714 94.8 65.3 -63.4 -21.6 22.5 12.2 4.1 113 113 A G T << S+ 0 0 60 -4,-0.9 2,-1.1 -3,-0.9 3,-0.3 0.560 76.9 85.6 -75.0 -12.6 22.6 15.0 1.4 114 114 A F <> + 0 0 38 -3,-1.7 4,-3.1 1,-0.2 5,-0.2 -0.345 54.9 155.6 -89.1 52.0 24.6 12.7 -1.0 115 115 A T H > + 0 0 82 -2,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.809 66.4 45.3 -45.9 -47.3 21.4 11.3 -2.2 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.914 114.7 45.4 -70.8 -45.1 22.7 10.2 -5.6 117 117 A S H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.898 110.5 57.6 -68.5 -36.4 25.9 8.6 -4.4 118 118 A L H X S+ 0 0 20 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.893 107.2 44.9 -56.7 -45.6 24.0 6.9 -1.7 119 119 A R H X S+ 0 0 116 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.937 112.8 52.2 -67.7 -38.7 21.7 5.2 -4.1 120 120 A M H <>S+ 0 0 29 -4,-2.2 5,-2.0 1,-0.2 4,-0.4 0.898 109.6 48.2 -65.3 -42.5 24.6 4.2 -6.3 121 121 A L H ><5S+ 0 0 5 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 0.938 108.4 54.6 -65.8 -36.4 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.883 110.3 49.1 -60.9 -31.1 23.2 0.8 -2.4 123 123 A Q T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.462 112.8-120.0 -87.4 1.6 23.2 -0.6 -5.9 124 124 A K T < 5 + 0 0 99 -3,-1.6 2,-1.2 -4,-0.4 -3,-0.2 0.782 63.2 146.2 62.8 31.6 26.8 -1.6 -5.9 125 125 A R >< + 0 0 110 -5,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.673 20.3 172.4-100.8 73.9 27.7 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.873 68.0 44.7 -52.6 -55.2 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 113.8 51.3 -62.9 -41.8 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.911 109.8 48.4 -63.6 -42.4 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.903 107.2 56.2 -63.7 -36.6 29.4 6.4 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.886 108.1 48.4 -66.6 -33.1 33.1 7.3 -7.1 131 131 A V H < S+ 0 0 92 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.906 114.1 45.7 -71.1 -41.2 32.6 9.7 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.894 108.1 56.7 -66.8 -40.3 29.5 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 1,-0.2 -1,-0.2 0.852 102.3 57.2 -60.0 -34.2 31.2 11.5 -4.8 134 134 A A T 3< S+ 0 0 26 -4,-1.2 2,-1.7 -5,-0.3 -1,-0.2 0.686 86.3 80.0 -74.6 -15.4 34.0 13.6 -6.4 135 135 A K S < S+ 0 0 165 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.536 80.9 98.6 -86.6 64.6 31.6 16.2 -7.7 136 136 A S S > S- 0 0 17 -2,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.994 86.3-117.5-152.1 155.0 31.4 17.8 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.906 113.7 66.0 -61.6 -34.1 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.963 104.9 41.6 -51.5 -49.8 34.1 17.8 -0.0 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.5 50.9 -69.5 -39.9 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 116.0 43.1 -68.3 -31.5 37.5 20.0 -4.0 141 141 A Q H < S+ 0 0 111 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.839 132.6 16.7 -80.1 -38.3 38.4 21.2 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 -0.604 74.3 161.1-134.0 72.2 40.2 18.1 0.9 143 143 A P H > + 0 0 44 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.872 68.0 54.6 -65.6 -40.9 41.0 16.1 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.933 116.0 38.8 -63.8 -40.9 43.8 13.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.932 115.3 52.5 -69.5 -45.0 41.6 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.917 108.4 53.3 -58.0 -39.7 38.4 12.4 -0.2 147 147 A K H X S+ 0 0 92 -4,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.851 107.0 50.8 -62.2 -39.8 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.878 114.7 42.4 -64.5 -36.3 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.880 112.9 53.2 -77.6 -37.3 37.9 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.899 108.6 50.3 -63.7 -41.8 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 6,-0.4 0.796 107.8 53.7 -65.8 -30.3 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.893 111.1 44.6 -69.2 -46.9 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 6 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.880 115.8 50.2 -63.7 -38.5 34.3 2.8 -1.6 154 154 A R H < S+ 0 0 109 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.934 125.7 22.1 -64.1 -46.2 35.4 2.0 -5.2 155 155 A T H < S- 0 0 40 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.574 85.9-135.5 -98.3 -21.4 37.5 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 1,-0.2 -62,-0.2 0.716 73.4 102.1 69.0 15.1 36.3 -2.3 -1.1 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.806 80.6-119.7-122.7 173.3 40.0 -2.8 -0.1 158 158 A W S >> S+ 0 0 38 -2,-0.3 3,-2.6 1,-0.2 4,-0.6 0.184 71.2 123.1 -95.2 20.6 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 91 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.844 68.1 58.1 -53.3 -31.1 44.8 -0.1 -0.7 160 160 A A G 34 S+ 0 0 32 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.682 106.0 50.0 -73.0 -16.8 44.6 3.6 -0.3 161 161 A Y G <4 0 0 18 -3,-2.6 -1,-0.3 -13,-0.1 -2,-0.2 0.451 360.0 360.0-103.7 2.1 45.7 3.4 3.2 162 162 A K << 0 0 178 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.827 360.0 360.0-103.7 360.0 48.7 1.2 2.7