==== 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 29-SEP-99 1D3F . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8593.0 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 . 11 6.8 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 0 1 1 2 0 0 1 1 0 0 0 0 0 0 2 0 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 157.3 43.6 -1.8 9.2 2 2 A N > - 0 0 70 156,-0.0 4,-2.8 95,-0.0 5,-0.3 -0.949 360.0 -77.3-158.1 178.2 40.3 -0.6 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.858 124.5 49.1 -51.4 -43.1 38.2 2.4 11.4 4 4 A F H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.923 114.9 42.8 -64.7 -47.9 40.3 3.8 14.2 5 5 A E H > S+ 0 0 98 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.819 114.7 53.5 -66.9 -33.5 43.6 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.973 112.6 40.3 -68.1 -53.5 42.0 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.3 5,-0.3 0.846 109.2 61.0 -64.0 -31.3 40.7 7.8 10.9 8 8 A R H X S+ 0 0 101 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.889 106.1 49.7 -64.7 -32.5 43.9 8.3 12.9 9 9 A I H < S+ 0 0 84 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.963 114.2 41.9 -68.1 -49.1 45.6 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.786 125.1 33.1 -69.3 -28.3 43.2 11.1 8.1 11 11 A E H < S- 0 0 46 -4,-2.2 19,-0.4 -5,-0.2 -1,-0.2 0.704 91.0-154.6-104.2 -24.6 42.8 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.109 25.8 -86.5 75.0-170.3 46.2 13.1 12.9 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.939 43.0 172.2-142.5 120.1 46.7 13.7 16.6 14 14 A R E -A 28 0A 127 14,-2.0 14,-2.4 -2,-0.4 4,-0.1 -0.997 18.0-164.4-131.3 129.4 47.2 17.1 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-1.6 12,-0.2 2,-0.4 0.419 73.2 64.1 -91.7 -0.5 47.3 17.7 21.9 16 16 A K E S-C 57 0B 92 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.919 99.9 -89.2-123.3 148.7 46.9 21.4 21.8 17 17 A I E + 0 0 14 39,-1.7 2,-0.3 -2,-0.4 10,-0.2 -0.247 57.6 168.3 -51.1 143.6 43.9 23.3 20.5 18 18 A Y E -A 26 0A 29 8,-3.4 8,-3.4 -4,-0.1 2,-0.5 -0.892 36.4-100.6-146.6 179.5 44.2 24.0 16.8 19 19 A K E -A 25 0A 130 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.858 33.8-138.1-106.3 133.1 42.3 25.2 13.8 20 20 A D > - 0 0 49 4,-3.3 3,-2.5 -2,-0.5 -1,-0.0 -0.158 40.9 -83.1 -77.5-173.6 40.9 22.6 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.731 134.9 50.3 -59.0 -24.7 41.0 23.0 7.6 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.373 124.0-107.0 -94.6 3.7 37.8 25.1 7.9 23 23 A G S < S+ 0 0 37 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.619 73.4 139.9 82.4 19.9 39.4 27.2 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-3.3 9,-0.0 2,-0.3 -0.780 60.5 -98.1 -97.1 152.6 37.4 25.8 13.5 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.1 11,-0.5 9,-1.4 -0.418 55.2 158.6 -67.5 128.3 38.8 25.0 16.8 26 26 A T E -AB 18 32A 4 -8,-3.4 -8,-3.4 -2,-0.3 2,-0.3 -0.813 17.0-175.8-141.5 169.6 39.7 21.4 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-1.9 -2,-0.3 2,-0.2 -0.995 49.7 11.6-158.7 166.1 41.8 19.2 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-2.0 -2,-0.3 2,-1.0 -0.464 121.4 -8.1 72.4-132.2 42.9 15.6 19.7 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.645 126.4 -53.5-105.6 78.2 42.0 13.3 16.9 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-0.9 -19,-0.4 -2,-0.2 0.722 85.1 160.0 66.6 21.5 39.8 15.5 14.8 31 31 A H E < -B 27 0A 35 -4,-1.9 -4,-1.8 1,-0.0 2,-0.2 -0.656 33.4-142.2 -84.5 108.3 37.5 16.4 17.7 32 32 A L E -B 26 0A 71 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.411 20.0-177.9 -65.3 130.7 35.7 19.6 16.8 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.910 55.8 -23.3 -98.6 -46.0 35.3 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.967 33.6-141.5-162.8 153.1 33.3 24.7 18.5 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.522 73.7 107.2 -93.9 -10.6 32.5 26.7 15.4 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.314 74.3-129.8 -69.9 156.7 32.7 29.9 17.3 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.557 77.3 103.9 -80.3 -12.0 35.5 32.2 16.8 38 38 A S > - 0 0 47 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.649 57.6-158.6 -83.3 124.8 36.2 32.5 20.4 39 39 A L H > S+ 0 0 65 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.727 96.9 53.2 -65.5 -25.6 39.2 30.6 21.8 40 40 A N H > S+ 0 0 111 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.921 102.6 54.7 -78.4 -42.1 37.7 30.8 25.2 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.924 112.2 47.9 -53.6 -37.6 34.5 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.900 109.6 49.6 -66.5 -44.9 36.8 26.6 22.7 43 43 A K H X S+ 0 0 47 -4,-2.3 4,-2.5 1,-0.2 11,-0.2 0.923 110.6 52.5 -63.2 -38.2 38.7 26.3 25.9 44 44 A S H X S+ 0 0 67 -4,-3.4 4,-2.1 2,-0.2 -1,-0.2 0.906 107.8 48.1 -63.0 -44.3 35.4 26.0 27.7 45 45 A E H X S+ 0 0 68 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.923 110.8 55.4 -65.8 -37.2 34.1 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.4 0.972 107.7 45.7 -57.3 -52.3 37.4 21.5 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.5 4,-2.1 1,-0.2 5,-1.5 0.914 113.2 51.3 -58.5 -42.1 37.2 21.5 29.9 48 48 A K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.848 109.7 49.2 -64.0 -36.9 33.6 20.4 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.920 120.8 34.8 -71.5 -35.0 34.5 17.5 27.4 50 50 A I H <5S- 0 0 33 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.596 104.7-123.4 -93.2 -27.1 37.3 16.3 29.6 51 51 A G T <5S+ 0 0 69 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.818 75.9 73.8 86.0 27.8 36.0 17.1 32.9 52 52 A R S - 0 0 12 -2,-0.8 3,-0.9 -11,-0.2 -1,-0.2 0.689 36.8-139.0 -98.3 -27.0 42.8 22.1 31.0 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.938 74.2 -57.6 62.0 44.4 44.1 25.4 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.3 0.508 116.2 98.0 64.5 9.4 43.8 24.2 26.1 57 57 A V B < -C 16 0B 63 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.913 46.4-179.9-127.7 151.9 46.0 21.2 26.4 58 58 A M - 0 0 5 -43,-1.6 2,-0.2 -2,-0.3 -30,-0.1 -0.913 24.8-106.7-143.5 169.8 45.2 17.5 26.9 59 59 A T > - 0 0 61 -2,-0.3 4,-3.0 1,-0.1 3,-0.2 -0.647 30.3-110.9 -99.3 167.6 46.9 14.2 27.2 60 60 A K H > S+ 0 0 109 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.852 119.6 52.4 -56.4 -47.5 47.1 11.3 24.8 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.871 109.9 48.2 -56.6 -46.2 44.9 9.2 26.9 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.6 -3,-0.2 5,-0.3 0.933 111.7 51.3 -63.6 -44.9 42.2 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -34,-0.4 0.920 110.0 48.5 -57.4 -45.4 42.6 12.4 23.2 64 64 A E H X S+ 0 0 78 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.881 109.9 54.0 -63.8 -35.8 42.1 8.6 22.7 65 65 A K H X S+ 0 0 138 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.959 109.3 43.9 -66.2 -49.3 39.1 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.885 112.0 57.4 -60.3 -35.4 37.3 11.5 23.0 67 67 A F H X S+ 0 0 14 -4,-2.4 4,-2.4 -5,-0.3 5,-0.3 0.946 104.9 49.2 -63.5 -45.3 38.3 9.7 19.9 68 68 A N H X S+ 0 0 92 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.923 112.8 48.1 -58.7 -37.8 36.6 6.5 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.921 109.3 52.6 -67.8 -40.5 33.4 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.901 110.5 47.3 -63.9 -40.8 33.4 10.2 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.953 112.6 49.5 -63.4 -50.0 33.6 7.0 16.6 72 72 A D H X S+ 0 0 82 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.952 110.5 50.3 -54.1 -47.1 31.0 5.4 18.6 73 73 A A H X S+ 0 0 47 -4,-2.8 4,-3.0 -5,-0.3 -1,-0.2 0.919 107.7 53.4 -60.8 -39.4 28.8 8.4 18.2 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.946 109.5 47.7 -62.0 -43.5 29.3 8.4 14.4 75 75 A V H X S+ 0 0 29 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.949 113.6 48.9 -62.4 -41.2 28.2 4.8 14.1 76 76 A R H X S+ 0 0 111 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.882 107.9 52.8 -71.3 -30.5 25.3 5.4 16.2 77 77 A G H < S+ 0 0 4 -4,-3.0 4,-0.4 -5,-0.3 -1,-0.3 0.925 108.7 51.4 -67.7 -40.2 24.4 8.4 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.2 7,-0.3 0.958 110.0 49.6 -58.6 -47.2 24.5 6.3 11.1 79 79 A L H 3< S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 109.7 49.3 -67.3 -27.0 22.2 3.7 12.6 80 80 A R T 3< S+ 0 0 180 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.413 92.5 98.8 -86.7 -5.3 19.7 6.1 13.7 81 81 A N <> - 0 0 20 -3,-1.5 4,-3.2 -4,-0.4 -4,-0.0 -0.762 62.4-153.6 -94.0 124.1 19.6 7.7 10.3 82 82 A A T 4 S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.717 98.0 40.7 -66.9 -18.1 16.8 6.7 7.9 83 83 A K T > S+ 0 0 127 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.774 121.0 40.7 -96.6 -30.0 18.8 7.5 4.9 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 5,-0.3 0.855 100.0 68.0 -84.3 -41.1 22.1 6.2 6.1 85 85 A K H X S+ 0 0 86 -4,-3.2 4,-2.8 -7,-0.3 5,-0.2 0.912 100.0 48.3 -48.0 -47.0 21.2 3.0 7.8 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.912 111.4 51.2 -67.4 -32.2 20.1 1.2 4.8 87 87 A V H X S+ 0 0 2 -4,-0.6 4,-0.7 1,-0.2 3,-0.3 0.979 112.0 45.5 -65.6 -52.1 23.2 2.1 3.0 88 88 A Y H >< S+ 0 0 32 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.864 108.9 56.8 -55.4 -39.8 25.4 1.0 5.7 89 89 A D H 3< S+ 0 0 71 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.909 105.8 51.3 -66.9 -30.3 23.5 -2.2 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.616 96.4 91.6 -81.8 -7.0 24.1 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.0 2,-0.0 -4,-0.7 31,-0.0 -0.576 74.4-117.8 -92.0 159.2 27.8 -2.5 2.6 92 92 A D > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.243 44.2 -92.3 -79.2 168.1 30.7 -4.8 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.890 121.5 47.8 -55.1 -41.2 33.1 -4.1 6.3 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.4 62,-0.2 -1,-0.2 0.950 112.0 47.5 -67.2 -50.7 35.6 -2.1 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.828 105.3 59.9 -61.3 -31.5 33.2 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.941 101.2 55.8 -60.7 -39.1 31.3 0.7 6.0 97 97 A A H X S+ 0 0 7 -4,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.892 104.7 53.3 -58.8 -38.0 34.5 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.882 108.8 48.5 -63.0 -40.1 34.5 4.6 4.5 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.898 109.8 52.4 -69.3 -35.7 31.0 5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.8 4,-3.5 1,-0.2 5,-0.2 0.960 106.8 53.8 -61.8 -44.0 31.9 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.928 108.3 48.1 -54.4 -49.1 34.8 8.3 8.0 102 102 A M H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.930 112.6 49.4 -60.9 -43.0 32.7 10.6 6.0 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.922 109.1 52.5 -61.6 -40.6 30.2 10.8 8.8 104 104 A F H < S+ 0 0 30 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.904 115.9 39.7 -62.0 -39.7 32.9 11.6 11.3 105 105 A Q H < S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.795 132.0 21.3 -79.0 -34.4 34.3 14.5 9.2 106 106 A M H X S- 0 0 50 -4,-2.5 4,-0.8 -5,-0.2 -3,-0.2 0.492 101.6-113.3-121.3 -3.2 31.0 15.9 8.1 107 107 A G H X - 0 0 33 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.212 35.2 -83.4 80.1 149.1 28.2 14.9 10.3 108 108 A E H > S+ 0 0 57 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.849 128.0 53.5 -56.4 -42.5 25.3 12.8 9.6 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.928 106.8 50.8 -64.0 -44.0 23.5 15.6 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.8 3,-0.8 1,-0.2 -2,-0.2 0.931 115.6 42.5 -57.8 -49.9 26.2 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.889 103.7 62.5 -67.6 -40.8 26.5 12.9 4.5 112 112 A A H 3< S+ 0 0 13 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.721 94.6 69.8 -57.2 -19.9 22.8 12.2 4.3 113 113 A G T << S+ 0 0 58 -4,-0.9 2,-0.9 -3,-0.8 3,-0.3 0.515 73.8 83.2 -74.5 -9.6 22.8 15.0 1.7 114 114 A F X> + 0 0 40 -3,-2.2 4,-2.9 1,-0.2 3,-0.5 -0.323 56.4 157.4 -92.3 54.8 24.7 12.9 -1.0 115 115 A T H 3> + 0 0 81 -2,-0.9 4,-2.1 1,-0.3 -1,-0.2 0.822 66.4 47.4 -46.6 -51.6 21.5 11.3 -2.1 116 116 A N H 3> S+ 0 0 87 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.890 113.5 46.6 -62.8 -39.1 22.6 10.3 -5.4 117 117 A S H <> S+ 0 0 1 -3,-0.5 4,-2.6 1,-0.2 5,-0.3 0.906 110.3 54.8 -68.5 -41.1 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.932 107.4 49.3 -57.7 -45.4 24.2 7.0 -1.5 119 119 A R H X S+ 0 0 116 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.921 110.6 50.4 -63.0 -38.0 21.8 5.4 -3.9 120 120 A M H <>S+ 0 0 26 -4,-1.9 5,-2.2 2,-0.2 4,-0.4 0.842 108.9 50.4 -67.9 -38.2 24.5 4.4 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.934 107.5 55.4 -68.3 -37.6 26.5 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.894 108.9 47.5 -59.8 -31.9 23.4 1.0 -2.3 123 123 A Q T 3<5S- 0 0 92 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.474 113.5-120.3 -87.0 -1.9 23.2 -0.4 -5.8 124 124 A K T < 5 + 0 0 104 -3,-1.8 2,-1.3 -4,-0.4 -3,-0.2 0.736 61.5 148.4 66.2 35.0 26.9 -1.4 -5.8 125 125 A R >< + 0 0 111 -5,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.666 19.8 172.7 -96.8 75.3 27.7 0.8 -8.7 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.1 2,-0.2 5,-0.2 0.887 68.4 45.1 -55.5 -56.8 31.2 1.6 -7.5 127 127 A D H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.955 116.0 49.3 -61.8 -41.3 32.8 3.4 -10.3 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.845 109.6 49.1 -66.0 -39.9 29.7 5.6 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.906 108.0 55.7 -65.3 -38.6 29.4 6.5 -7.2 130 130 A A H X S+ 0 0 14 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.927 108.9 47.7 -61.3 -36.6 33.1 7.4 -7.1 131 131 A V H X S+ 0 0 92 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.972 114.0 46.0 -66.9 -51.1 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 44 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.868 107.9 56.8 -59.9 -41.6 29.5 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.920 100.2 59.7 -59.0 -36.6 31.2 11.6 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.6 2,-1.8 -5,-0.2 -1,-0.2 0.690 84.5 80.8 -65.4 -18.6 34.0 13.7 -6.4 135 135 A K S << S+ 0 0 165 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.550 79.7 96.9 -91.0 74.8 31.6 16.4 -7.6 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.998 84.1-117.6-158.8 153.1 31.4 18.0 -4.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.925 114.3 63.4 -57.4 -43.2 32.8 20.8 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.951 107.3 41.3 -45.7 -51.8 34.1 18.1 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.963 115.7 50.6 -66.4 -43.7 36.3 16.7 -2.6 140 140 A N H < S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.2 41.9 -62.7 -34.9 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 105 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 132.0 19.6 -83.6 -35.8 38.3 21.3 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.600 73.6 162.6-131.3 72.5 40.1 18.2 1.0 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 68.1 53.8 -63.0 -38.3 41.0 16.3 -2.1 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.952 115.0 40.2 -67.4 -41.5 43.7 14.0 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.959 114.2 52.5 -70.7 -43.8 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.3 5,-0.3 0.930 108.4 53.5 -57.2 -44.8 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 91 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.892 107.3 50.7 -57.2 -42.5 40.5 10.5 -2.7 148 148 A R H X S+ 0 0 69 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.946 114.1 42.7 -62.3 -44.6 41.4 8.1 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 113.3 52.2 -65.2 -43.7 37.8 7.6 1.0 150 150 A I H X S+ 0 0 14 -4,-3.4 4,-2.8 -5,-0.3 -1,-0.2 0.887 108.4 50.3 -60.4 -40.8 36.5 7.4 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.2 4,-3.2 -5,-0.3 6,-0.4 0.848 106.8 56.8 -64.9 -35.4 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.919 110.6 42.2 -63.7 -41.8 38.1 2.8 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.907 115.8 50.8 -70.9 -38.7 34.4 2.8 -1.7 154 154 A R H < S+ 0 0 108 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.949 124.5 24.7 -63.4 -48.3 35.5 2.1 -5.2 155 155 A T H < S- 0 0 44 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.519 83.9-137.8 -95.1 -15.7 37.7 -0.9 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.4 2,-0.2 -5,-0.2 -62,-0.2 0.691 73.8 99.5 61.9 17.0 36.4 -2.3 -1.2 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -2,-0.2 -0.769 79.4-120.1-125.3 177.6 40.2 -2.7 -0.1 158 158 A W S >> S+ 0 0 44 -2,-0.2 3,-2.9 1,-0.2 4,-0.6 0.189 71.7 119.9 -99.6 11.8 42.5 -0.6 2.1 159 159 A D G >4 + 0 0 93 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.788 65.5 62.7 -53.0 -27.2 45.0 0.1 -0.5 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.676 107.8 45.0 -74.1 -12.4 44.6 3.9 -0.3 161 161 A Y G <4 0 0 18 -3,-2.9 -1,-0.3 -13,-0.1 -2,-0.2 0.430 360.0 360.0-110.5 5.2 45.8 3.7 3.2 162 162 A K << 0 0 182 -3,-1.3 -2,-0.2 -4,-0.6 -3,-0.1 0.889 360.0 360.0 -94.4 360.0 48.7 1.4 2.6