==== 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 1D3N . 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) . 8656.0 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 . 7 4.3 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 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 X 0 0 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 133.6 43.5 -1.8 9.1 2 2 A N > - 0 0 63 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.890 360.0 -82.5-142.5-176.2 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.813 124.5 54.7 -61.0 -34.8 38.3 2.4 11.2 4 4 A F H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.957 113.2 38.8 -66.8 -50.5 40.4 3.6 14.1 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.826 115.0 54.6 -64.9 -41.7 43.7 3.4 12.2 6 6 A X H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.979 113.0 41.3 -60.4 -53.0 42.2 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.4 0.862 108.9 59.6 -64.1 -32.8 40.8 7.8 10.8 8 8 A R H X S+ 0 0 98 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.914 108.2 47.7 -66.1 -29.4 44.0 8.3 12.8 9 9 A I H < S+ 0 0 85 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.974 113.8 44.4 -72.0 -50.4 45.7 8.5 9.5 10 10 A D H < S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.818 125.0 31.4 -64.0 -34.8 43.4 11.0 7.9 11 11 A E H < S- 0 0 41 -4,-2.6 19,-0.3 -5,-0.2 -1,-0.2 0.679 91.5-151.1 -97.9 -30.9 43.0 13.2 10.9 12 12 A G < - 0 0 21 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.127 21.9 -86.6 85.7 176.8 46.3 13.1 12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.986 42.4 168.1-130.6 123.7 46.9 13.6 16.4 14 14 A R E -A 28 0A 128 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -1.000 21.0-162.9-138.1 136.5 47.4 17.0 18.2 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.416 73.3 62.8 -97.4 2.1 47.4 17.6 21.8 16 16 A K E S-C 57 0B 90 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.929 99.3 -85.8-129.8 145.2 47.0 21.3 21.7 17 17 A I E + 0 0 15 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.205 57.9 168.7 -50.0 138.0 44.0 23.3 20.4 18 18 A Y E -A 26 0A 31 8,-3.1 8,-2.8 -4,-0.1 2,-0.5 -0.885 35.6-101.4-148.3 170.0 44.4 23.9 16.6 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.856 32.0-139.9 -99.2 133.1 42.4 25.1 13.7 20 20 A D > - 0 0 51 4,-2.9 3,-0.9 -2,-0.5 -1,-0.1 -0.024 39.3 -84.7 -76.1-168.6 41.0 22.7 11.3 21 21 A T T 3 S+ 0 0 115 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.637 133.8 48.6 -72.5 -18.5 41.0 23.2 7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.364 126.6-104.6 -91.8 -3.3 37.7 25.2 7.8 23 23 A G S < S+ 0 0 31 -3,-0.9 2,-0.4 1,-0.3 -2,-0.1 0.678 72.5 144.9 89.1 21.1 39.4 27.3 10.5 24 24 A Y - 0 0 65 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.792 57.5-100.8-101.9 149.2 37.6 25.7 13.4 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-3.4 11,-0.5 9,-1.6 -0.320 54.9 158.1 -64.0 123.1 38.8 25.0 16.8 26 26 A T E -AB 18 32A 4 -8,-2.8 -8,-3.1 6,-0.3 2,-0.3 -0.886 18.4-171.5-138.9 165.7 39.7 21.3 17.1 27 27 A I E > + B 0 31A 0 4,-1.9 4,-1.9 -2,-0.3 -12,-0.2 -0.976 50.8 4.1-155.3 164.6 41.8 19.0 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.7 -0.408 122.7 -8.9 70.3-124.6 43.1 15.4 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.655 127.6 -49.8-111.6 71.2 42.1 13.2 16.6 30 30 A G T 4 S+ 0 0 18 -2,-0.7 2,-1.0 -19,-0.3 -2,-0.2 0.640 84.0 155.8 77.8 18.6 39.6 15.4 14.7 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.9 32,-0.0 2,-0.3 -0.625 34.3-146.2 -84.2 107.9 37.5 16.4 17.6 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.505 15.9-174.9 -67.4 121.9 35.8 19.7 16.7 33 33 A L E - 0 0 13 -8,-3.4 2,-0.3 1,-0.3 -7,-0.2 0.819 60.8 -20.7 -87.6 -41.2 35.3 21.8 19.7 34 34 A T E -B 25 0A 25 -9,-1.6 -9,-0.7 2,-0.1 -1,-0.3 -0.923 36.5-138.1-166.6 146.9 33.4 24.6 18.3 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.522 76.7 109.6 -87.1 0.2 32.5 26.4 15.1 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.5 2,-0.1 6,-0.1 -0.388 72.1-134.8 -80.8 151.4 32.9 29.6 17.0 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.686 75.5 103.3 -73.7 -17.1 35.7 32.1 16.4 38 38 A S > - 0 0 55 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.524 55.8-161.1 -80.4 126.3 36.3 32.5 20.1 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.846 93.7 55.6 -67.7 -30.8 39.2 30.7 21.5 40 40 A N H > S+ 0 0 115 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.920 103.9 53.5 -70.5 -39.5 37.8 31.0 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.953 109.7 50.1 -56.8 -46.5 34.6 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.902 108.7 50.1 -58.6 -44.5 36.8 26.6 22.6 43 43 A K H X S+ 0 0 52 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.962 111.0 51.0 -65.8 -35.2 38.7 26.3 25.8 44 44 A S H X S+ 0 0 71 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.937 109.3 48.0 -67.5 -42.4 35.5 26.1 27.6 45 45 A E H X S+ 0 0 69 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.933 110.7 55.7 -61.8 -40.6 34.1 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 5,-0.3 0.938 106.6 46.8 -57.6 -44.6 37.3 21.6 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.7 4,-2.8 1,-0.3 5,-1.5 0.925 110.5 53.4 -69.3 -37.1 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.822 111.2 46.6 -58.5 -40.9 33.6 20.4 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.922 117.8 38.1 -77.5 -34.3 34.5 17.6 27.5 50 50 A I H <5S- 0 0 36 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.783 104.1-124.1 -83.0 -31.7 37.5 16.4 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.8 2,-0.3 1,-0.4 -3,-0.2 0.725 76.0 67.4 92.5 25.9 36.1 17.1 32.7 52 52 A R S - 0 0 7 -2,-1.0 3,-1.2 -11,-0.2 -1,-0.2 0.702 34.9-146.5 -91.6 -30.3 43.0 21.9 30.7 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.898 75.7 -55.1 61.6 30.7 44.2 25.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.532 118.4 93.7 82.9 4.9 44.0 24.1 26.0 57 57 A V B < -C 16 0B 64 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.984 46.5-179.8-134.1 140.5 46.2 21.0 26.2 58 58 A I - 0 0 7 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.830 26.6-106.0-130.3 173.8 45.3 17.4 26.8 59 59 A T > - 0 0 59 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.520 32.1-108.3 -94.8 172.6 47.1 14.1 27.1 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.941 120.1 52.5 -62.4 -49.1 47.2 11.3 24.6 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 108.9 51.5 -54.0 -44.0 45.0 9.1 26.7 62 62 A E H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.936 109.5 50.9 -60.1 -42.1 42.4 12.0 26.8 63 63 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -34,-0.4 0.878 110.7 47.8 -58.5 -43.1 42.6 12.3 23.0 64 64 A E H X S+ 0 0 76 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.819 108.5 55.0 -68.5 -33.9 42.0 8.6 22.6 65 65 A K H X S+ 0 0 146 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.977 109.7 45.5 -66.3 -48.4 39.2 8.8 25.0 66 66 A L H X S+ 0 0 5 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.904 112.0 55.0 -55.7 -41.9 37.6 11.6 22.8 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.959 105.1 49.4 -65.9 -42.2 38.3 9.5 19.8 68 68 A N H X S+ 0 0 88 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.920 113.1 47.9 -57.6 -47.4 36.5 6.4 20.9 69 69 A Q H X S+ 0 0 102 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.926 111.4 50.1 -58.9 -47.0 33.5 8.3 21.8 70 70 A D H X S+ 0 0 37 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.910 110.1 48.4 -63.2 -39.6 33.5 10.1 18.6 71 71 A V H X S+ 0 0 7 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.948 113.0 50.0 -65.0 -43.1 33.8 7.0 16.5 72 72 A D H X S+ 0 0 85 -4,-2.3 4,-1.9 -5,-0.4 5,-0.3 0.956 108.5 50.7 -59.9 -45.9 31.0 5.4 18.5 73 73 A A H X S+ 0 0 45 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.923 107.8 55.6 -60.2 -41.1 28.7 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.954 107.6 47.3 -55.2 -48.2 29.3 8.4 14.3 75 75 A V H X S+ 0 0 30 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.908 114.1 46.9 -58.6 -44.9 28.2 4.8 13.9 76 76 A R H X S+ 0 0 126 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.895 106.2 57.0 -70.4 -35.6 25.2 5.3 16.0 77 77 A G H X S+ 0 0 4 -4,-3.0 4,-1.1 -5,-0.3 -1,-0.2 0.952 109.9 47.6 -57.1 -44.8 24.3 8.4 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 -5,-0.2 7,-0.5 0.982 110.7 50.0 -56.7 -50.7 24.4 6.2 11.0 79 79 A L H 3< S+ 0 0 68 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 111.3 50.7 -63.1 -25.5 22.3 3.5 12.6 80 80 A R H 3< S+ 0 0 176 -4,-2.5 2,-0.6 -5,-0.1 -1,-0.3 0.591 89.6 90.9 -80.2 -27.8 19.8 6.1 13.7 81 81 A N S+ 0 0 144 2,-0.1 4,-0.5 1,-0.1 -1,-0.3 0.765 118.8 44.8 -93.5 -16.9 18.2 7.1 4.9 84 84 A X H >> S+ 0 0 2 -3,-0.3 4,-3.0 -6,-0.2 3,-0.8 0.935 97.0 66.8 -88.4 -41.6 21.6 6.0 5.9 85 85 A K H 3X S+ 0 0 92 -4,-2.9 4,-3.1 -7,-0.5 5,-0.3 0.892 100.9 48.2 -46.1 -50.7 21.1 2.9 7.7 86 86 A P H 3> S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.859 112.2 50.2 -64.7 -33.7 19.9 0.8 4.8 87 87 A V H << S+ 0 0 5 -3,-0.8 4,-0.4 -4,-0.5 -2,-0.2 0.944 113.4 45.4 -65.7 -49.5 22.8 2.0 2.7 88 88 A Y H >< S+ 0 0 27 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.893 111.2 53.1 -61.7 -40.2 25.2 1.2 5.3 89 89 A D H 3< S+ 0 0 69 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.853 102.5 60.6 -68.3 -25.9 23.6 -2.3 6.0 90 90 A S T 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -5,-0.3 2,-0.2 0.589 96.6 79.3 -74.8 -14.0 23.9 -3.1 2.4 91 91 A X S < S- 0 0 8 -3,-1.4 2,-0.1 -4,-0.4 31,-0.0 -0.605 77.1-107.3 -99.6 166.4 27.7 -2.8 2.3 92 92 A D > - 0 0 55 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.208 44.3 -93.3 -79.4 170.5 30.7 -4.8 3.3 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.849 120.7 47.6 -59.0 -39.5 33.0 -4.1 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 112.4 47.5 -69.0 -49.7 35.5 -2.0 4.3 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.919 106.9 58.4 -62.5 -34.7 33.0 0.2 2.6 96 96 A R H X S+ 0 0 81 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.914 103.1 54.0 -58.0 -37.7 31.2 0.7 5.9 97 97 A A H X S+ 0 0 8 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.917 104.0 55.2 -65.1 -37.9 34.4 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.860 108.5 48.4 -61.0 -36.3 34.5 4.6 4.4 99 99 A X H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.924 108.7 52.3 -72.8 -33.2 31.1 5.8 5.3 100 100 A I H X S+ 0 0 10 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.939 106.6 55.7 -64.1 -43.0 31.9 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.951 108.3 46.3 -51.4 -53.6 34.9 8.2 7.8 102 102 A X H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.890 113.0 49.4 -61.4 -37.1 32.8 10.6 5.9 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.909 108.7 54.1 -70.9 -35.7 30.2 10.9 8.9 104 104 A F H < S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.946 115.5 39.3 -57.1 -44.6 33.1 11.5 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.832 131.3 20.5 -79.4 -36.2 34.3 14.4 9.2 106 106 A X H X S- 0 0 48 -4,-2.3 4,-1.1 -5,-0.2 -3,-0.2 0.502 97.0-120.8-123.1 6.3 31.2 16.0 8.1 107 107 A G H X - 0 0 29 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 0.180 40.5 -72.5 72.7 151.4 28.4 15.0 10.3 108 108 A E H > S+ 0 0 65 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.706 133.9 51.8 -49.8 -39.5 25.2 13.3 9.5 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.1 -3,-0.2 -1,-0.3 0.940 108.1 48.4 -64.3 -59.8 24.0 16.4 7.8 110 110 A G H >< S+ 0 0 28 -4,-1.1 3,-1.6 1,-0.2 -2,-0.2 0.975 115.7 46.1 -48.4 -56.5 27.0 16.8 5.7 111 111 A V H >< S+ 0 0 1 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.796 99.3 68.8 -63.5 -20.6 26.7 13.2 4.7 112 112 A A H 3< S+ 0 0 39 -4,-1.0 3,-0.4 -3,-0.3 -1,-0.3 0.809 86.5 69.3 -69.7 -19.9 23.1 13.4 4.1 113 113 A G T << S+ 0 0 68 -3,-1.6 3,-0.4 -4,-1.1 -1,-0.2 0.464 80.2 78.2 -74.5 -3.6 23.7 15.7 1.0 114 114 A F <> + 0 0 30 -3,-1.3 4,-1.8 -4,-0.2 -1,-0.3 -0.114 54.5 138.1 -96.7 42.4 25.2 12.8 -0.9 115 115 A T H > + 0 0 90 -3,-0.4 4,-1.8 1,-0.2 5,-0.2 0.899 69.2 47.3 -53.8 -47.3 21.8 11.3 -1.7 116 116 A N H > S+ 0 0 94 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.954 110.7 48.8 -65.4 -42.3 22.6 10.5 -5.2 117 117 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.806 108.4 57.1 -62.3 -32.7 25.9 8.8 -4.6 118 118 A X H X S+ 0 0 16 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.877 102.7 51.8 -73.5 -32.2 24.3 6.8 -1.9 119 119 A R H X S+ 0 0 127 -4,-1.8 4,-2.7 1,-0.2 6,-0.2 0.951 109.9 51.5 -62.4 -46.8 21.7 5.4 -4.2 120 120 A X H <>S+ 0 0 18 -4,-2.3 5,-2.1 1,-0.3 -1,-0.2 0.918 108.2 51.2 -57.7 -39.3 24.4 4.4 -6.4 121 121 A X H ><5S+ 0 0 3 -4,-1.9 3,-2.0 1,-0.2 -1,-0.3 0.894 105.4 55.4 -63.1 -40.0 26.2 2.8 -3.6 122 122 A Q H 3<5S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.920 108.8 47.7 -59.9 -37.3 23.2 0.9 -2.7 123 123 A Q T 3<5S- 0 0 71 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.297 114.7-120.4 -85.0 5.2 23.0 -0.5 -6.1 124 124 A K T < 5 + 0 0 100 -3,-2.0 2,-1.5 1,-0.2 -3,-0.2 0.704 59.9 150.2 64.7 33.0 26.7 -1.3 -6.0 125 125 A R >< + 0 0 105 -5,-2.1 4,-2.5 -6,-0.2 5,-0.2 -0.644 19.6 175.4 -95.9 76.3 27.7 0.8 -8.9 126 126 A W H > + 0 0 41 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.878 67.8 44.2 -56.2 -55.6 31.1 1.5 -7.6 127 127 A D H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.853 114.7 49.6 -64.5 -32.3 32.8 3.5 -10.3 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.919 109.9 50.5 -74.5 -42.6 29.8 5.7 -10.9 129 129 A A H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.936 107.0 56.1 -58.3 -36.4 29.4 6.5 -7.3 130 130 A A H X S+ 0 0 8 -4,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.899 108.8 45.0 -66.5 -38.6 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 98 -4,-1.6 4,-0.6 2,-0.2 -1,-0.3 0.874 112.9 51.5 -68.8 -40.7 32.8 9.9 -9.8 132 132 A N H >< S+ 0 0 43 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.896 106.7 55.0 -60.6 -42.8 29.6 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 -5,-0.3 -1,-0.2 0.894 101.6 58.7 -61.0 -29.7 31.3 11.6 -4.9 134 134 A A H 3< S+ 0 0 25 -4,-1.1 2,-1.7 -5,-0.2 -1,-0.2 0.649 84.3 79.8 -72.6 -21.3 34.0 13.7 -6.5 135 135 A K S << S+ 0 0 171 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.593 81.1 103.2 -84.0 70.5 31.6 16.4 -7.7 136 136 A S S > S- 0 0 14 -2,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.998 83.3-123.0-154.3 148.4 31.6 17.9 -4.3 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.940 113.3 64.9 -56.7 -36.1 32.9 20.8 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.937 104.9 40.5 -49.2 -54.0 34.2 18.0 -0.0 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 114.6 53.9 -67.3 -40.4 36.5 16.7 -2.7 140 140 A N H < S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 114.6 40.1 -65.6 -29.3 37.5 20.2 -3.8 141 141 A Q H < S+ 0 0 98 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.857 130.5 22.1 -88.1 -40.9 38.5 21.3 -0.3 142 142 A T S X S+ 0 0 24 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 -0.696 73.5 163.8-125.1 72.1 40.3 18.1 1.0 143 143 A P H > + 0 0 52 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.892 68.5 49.9 -63.3 -44.8 41.3 16.3 -2.1 144 144 A N H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.952 116.8 42.6 -63.0 -45.3 43.9 13.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.964 113.9 51.0 -59.7 -50.5 41.6 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.3 5,-0.3 0.950 109.0 53.7 -53.1 -47.7 38.6 12.6 -0.3 147 147 A K H X S+ 0 0 103 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.865 107.7 48.3 -54.2 -49.4 40.6 10.5 -2.8 148 148 A R H X S+ 0 0 68 -4,-2.0 4,-1.5 -3,-0.2 -1,-0.2 0.913 113.9 47.0 -59.9 -45.0 41.5 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.930 112.1 51.0 -56.8 -47.9 37.9 7.6 1.0 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-3.2 1,-0.3 5,-0.2 0.894 109.2 48.5 -63.6 -41.8 36.7 7.4 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.2 4,-3.3 -5,-0.3 6,-0.4 0.842 106.7 57.9 -63.5 -38.2 39.0 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-3.1 -5,-0.2 5,-0.2 0.972 111.8 40.5 -59.6 -45.4 38.1 2.8 -0.6 153 153 A F H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.872 116.1 50.7 -71.8 -37.8 34.5 2.9 -1.7 154 154 A R H < S+ 0 0 98 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.889 124.8 26.5 -63.4 -39.6 35.4 2.2 -5.3 155 155 A T H < S- 0 0 47 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.619 82.4-139.5 -98.9 -27.8 37.6 -0.7 -4.4 156 156 A G S < S+ 0 0 18 -4,-3.1 2,-0.2 -5,-0.3 -62,-0.2 0.633 72.4 100.8 72.5 14.2 36.5 -2.2 -1.2 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.791 79.6-121.7-123.4 165.6 40.2 -2.7 -0.2 158 158 A W S >> S+ 0 0 42 -2,-0.2 3,-2.2 1,-0.2 4,-0.7 0.129 72.4 121.5 -91.5 18.9 42.5 -0.7 2.1 159 159 A D G >4 + 0 0 95 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.868 64.6 58.5 -53.9 -40.9 45.0 -0.0 -0.7 160 160 A A G 34 S+ 0 0 37 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.655 111.5 43.8 -64.5 -12.2 44.8 3.7 -0.5 161 161 A Y G <4 0 0 21 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.493 360.0 360.0-111.5 -8.4 45.9 3.5 3.1 162 162 A K << 0 0 176 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.834 360.0 360.0 -93.4 360.0 48.7 0.9 2.8