==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 06-MAY-91 1L59 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.NICHOLSON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 9 5.6 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.1 43.5 -1.8 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.879 360.0 -80.5-147.4 178.3 40.2 -0.8 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.852 125.2 52.8 -56.5 -41.7 38.2 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 112.2 42.3 -60.9 -50.0 40.3 3.6 14.2 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.880 114.6 53.8 -65.6 -38.1 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.951 112.1 41.4 -62.0 -52.9 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.807 109.8 59.9 -66.4 -29.6 40.7 7.9 10.9 8 8 A R H X S+ 0 0 105 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.889 107.9 45.9 -64.7 -35.2 43.9 8.3 12.9 9 9 A I H < S+ 0 0 86 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.928 116.5 44.7 -72.0 -44.5 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 125.3 29.3 -70.2 -33.8 43.2 11.0 8.1 11 11 A E H < S- 0 0 42 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.718 91.5-153.3-100.8 -27.5 42.8 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.208 25.9 -86.5 76.2-170.6 46.3 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.980 42.1 175.0-138.2 125.2 46.7 13.7 16.5 14 14 A R E -A 28 0A 140 14,-1.6 14,-2.4 -2,-0.4 4,-0.1 -0.999 17.9-164.3-133.5 130.4 47.2 17.1 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.393 73.5 62.7 -92.2 0.9 47.4 17.6 21.8 16 16 A K E S-C 57 0B 98 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.952 101.2 -86.5-126.8 143.8 46.9 21.4 21.8 17 17 A I E + 0 0 18 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.231 60.0 171.6 -47.9 133.4 43.8 23.3 20.5 18 18 A Y E -A 26 0A 27 8,-2.8 8,-2.9 -4,-0.1 2,-0.5 -0.858 35.2-103.7-137.6 173.5 44.3 23.8 16.7 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.886 33.2-139.1-102.1 131.4 42.3 25.1 13.8 20 20 A D > - 0 0 48 4,-3.0 3,-1.7 -2,-0.5 -1,-0.1 -0.058 40.6 -82.8 -73.9-175.3 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.774 133.7 49.9 -61.0 -26.7 40.9 22.9 7.5 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.411 124.3-104.5 -89.2 -4.6 37.7 25.0 7.8 23 23 A G S < S+ 0 0 37 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.630 73.9 141.3 89.4 14.5 39.3 27.2 10.5 24 24 A Y - 0 0 80 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.735 59.7-101.5 -95.8 148.1 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-2.9 11,-0.4 9,-1.2 -0.389 55.2 158.5 -63.1 119.2 38.8 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.8 6,-0.3 2,-0.3 -0.875 19.8-167.5-137.5 167.3 39.5 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.8 -2,-0.3 -12,-0.2 -0.978 50.9 1.5-154.1 161.9 41.7 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.6 -2,-0.3 2,-0.9 -0.400 122.4 -3.9 68.5-130.8 43.0 15.5 19.5 29 29 A I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.633 128.2 -54.0-100.8 70.2 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.2 -19,-0.3 -2,-0.2 0.749 82.8 162.3 70.8 24.2 39.7 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-1.8 -4,-1.5 1,-0.0 -1,-0.2 -0.629 32.4-142.6 -81.1 101.6 37.5 16.3 17.7 32 32 A L E -B 26 0A 67 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.317 20.2-177.8 -57.8 131.3 35.6 19.5 16.7 33 33 A L E - 0 0 17 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.909 57.2 -25.9 -97.1 -48.3 35.2 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.974 35.1-138.0-161.0 154.3 33.2 24.8 18.4 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.505 75.0 111.7 -94.1 -3.2 32.4 26.7 15.3 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.375 71.6-133.7 -72.2 145.9 32.7 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.641 75.9 103.2 -74.4 -11.1 35.6 32.2 16.6 38 38 A S > - 0 0 50 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.645 58.6-158.1 -83.7 123.0 36.4 32.6 20.2 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.2 1,-0.3 -1,-0.2 0.748 99.0 54.5 -64.2 -23.9 39.4 30.7 21.7 40 40 A N H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.873 101.6 53.6 -80.4 -35.2 37.7 31.0 25.0 41 41 A A H > S+ 0 0 35 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.891 112.4 49.4 -61.7 -32.0 34.5 29.5 23.8 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 -2,-0.2 0.877 108.4 49.6 -70.8 -44.6 36.8 26.6 22.7 43 43 A K H X S+ 0 0 46 -4,-2.2 4,-2.3 2,-0.2 11,-0.3 0.868 110.5 52.4 -66.4 -32.7 38.7 26.3 26.0 44 44 A S H X S+ 0 0 76 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.936 111.8 44.0 -66.4 -47.8 35.3 26.2 27.7 45 45 A E H X S+ 0 0 68 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.946 111.9 55.6 -64.0 -46.4 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.931 110.4 43.3 -52.1 -51.0 37.3 21.6 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.2 5,-1.0 0.840 112.7 52.1 -65.4 -35.3 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.867 111.0 49.2 -64.2 -41.3 33.5 20.6 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.908 119.7 35.6 -67.2 -40.0 34.4 17.7 27.4 50 50 A I H <5S- 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.690 99.8-128.2 -87.8 -23.8 37.3 16.5 29.6 51 51 A G T <5S+ 0 0 72 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.829 78.5 76.3 78.1 27.7 35.9 17.2 33.1 52 52 A R S - 0 0 8 -2,-0.7 3,-1.7 -11,-0.3 -1,-0.2 0.741 31.7-143.5 -98.1 -16.3 42.8 22.0 30.8 55 55 A N T 3 S- 0 0 117 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.869 75.4 -60.4 53.5 38.5 44.2 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.515 116.9 102.2 71.1 6.7 43.8 24.1 26.2 57 57 A V B < +C 16 0B 69 -3,-1.7 2,-0.3 -41,-0.2 -41,-0.2 -0.975 43.8 177.1-126.0 138.1 46.1 21.1 26.5 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.856 26.2-112.7-129.7 165.9 45.2 17.4 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.513 33.7-103.3 -94.6 168.9 47.1 14.1 27.2 60 60 A K H > S+ 0 0 102 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.835 121.8 52.7 -57.4 -43.0 47.2 11.2 24.7 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.863 109.4 48.6 -59.3 -46.8 44.8 9.1 26.8 62 62 A E H > S+ 0 0 38 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.896 111.2 51.0 -62.2 -42.2 42.3 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -34,-0.5 0.853 110.6 48.4 -62.1 -42.3 42.6 12.4 23.2 64 64 A E H X S+ 0 0 77 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.820 107.7 55.6 -70.6 -30.4 41.9 8.7 22.6 65 65 A K H X S+ 0 0 134 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.960 108.5 46.3 -65.1 -48.4 39.0 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.905 112.0 52.8 -56.1 -44.7 37.3 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.924 106.0 52.9 -59.9 -45.9 38.2 9.6 19.7 68 68 A N H X S+ 0 0 89 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.945 111.9 46.6 -57.8 -42.7 36.5 6.4 21.1 69 69 A Q H X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.878 110.5 52.5 -64.5 -40.7 33.3 8.4 21.9 70 70 A D H X S+ 0 0 36 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.837 110.1 46.0 -66.9 -38.1 33.3 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.956 113.3 51.1 -69.1 -45.2 33.6 6.9 16.5 72 72 A D H X S+ 0 0 88 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.917 112.0 46.2 -55.5 -45.4 30.9 5.3 18.7 73 73 A A H X S+ 0 0 43 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.870 109.3 56.0 -66.5 -36.1 28.6 8.2 18.1 74 74 A A H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.975 110.4 43.7 -61.0 -53.1 29.3 8.2 14.4 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.930 115.9 48.1 -53.2 -51.9 28.2 4.5 14.0 76 76 A R H X S+ 0 0 110 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.876 108.9 53.3 -63.0 -38.2 25.1 5.1 16.2 77 77 A G H X S+ 0 0 3 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.938 109.6 49.1 -65.1 -39.6 24.2 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 7,-0.4 0.954 110.9 50.5 -60.2 -46.5 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.761 112.3 46.1 -67.1 -23.6 22.2 3.4 12.6 80 80 A R H 3< S+ 0 0 175 -4,-1.8 2,-0.5 -3,-0.1 -1,-0.3 0.404 92.9 96.1 -93.5 -7.7 19.5 5.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.874 100.1 66.2 -88.4 -41.9 22.0 6.1 6.2 85 85 A K H X S+ 0 0 78 -4,-2.6 4,-3.0 -7,-0.4 5,-0.2 0.903 99.9 51.1 -49.8 -49.4 21.1 2.8 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.895 111.9 48.5 -60.4 -37.3 19.9 1.1 4.7 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.3 -2,-0.2 0.955 112.7 46.9 -65.2 -51.5 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.914 110.1 53.9 -55.1 -46.2 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 80 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.863 107.8 52.2 -58.8 -36.1 23.4 -2.5 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.662 96.3 89.5 -73.7 -19.8 24.0 -3.1 2.5 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.9 31,-0.0 -0.466 74.0-118.6 -86.8 158.6 27.8 -2.7 2.6 92 92 A D > - 0 0 56 -2,-0.1 4,-2.2 1,-0.1 -1,-0.1 -0.270 45.2 -92.1 -78.3 172.0 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.837 122.4 46.5 -57.8 -41.0 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.5 2,-0.2 3,-0.2 0.930 113.3 48.1 -69.2 -46.9 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.886 105.1 59.9 -63.9 -33.5 33.1 -0.0 2.7 96 96 A R H X S+ 0 0 79 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 101.9 54.1 -56.4 -43.0 31.2 0.4 6.0 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.866 105.1 55.2 -57.4 -40.8 34.5 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.872 109.3 45.5 -62.0 -39.8 34.4 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.898 110.5 52.7 -72.0 -36.8 30.9 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.913 107.4 54.4 -65.0 -36.1 31.7 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.946 107.2 48.9 -63.1 -47.1 34.7 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.933 112.7 49.2 -56.7 -43.2 32.5 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.927 108.3 51.8 -64.2 -43.0 30.1 10.8 8.9 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 117.2 40.5 -60.1 -37.2 32.8 11.5 11.4 105 105 A Q H < S+ 0 0 58 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.844 132.9 18.0 -80.1 -42.0 34.2 14.3 9.1 106 106 A M H X S- 0 0 54 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.458 102.0-114.9-119.9 1.6 31.0 15.8 8.0 107 107 A G H X - 0 0 34 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.213 34.2 -80.5 77.5 155.8 28.2 14.8 10.3 108 108 A E H > S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.897 127.6 51.1 -58.9 -45.4 25.2 12.7 9.6 109 109 A N H > S+ 0 0 134 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.915 109.0 52.4 -61.5 -42.1 23.2 15.5 8.0 110 110 A G H < S+ 0 0 34 -4,-0.6 3,-0.4 2,-0.2 -1,-0.2 0.923 115.0 39.7 -59.5 -49.5 26.0 16.3 5.7 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-3.1 1,-0.2 -2,-0.2 0.939 107.0 62.1 -67.9 -45.0 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 8 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.761 95.9 65.4 -54.1 -22.2 22.6 12.0 4.3 113 113 A G T 3< S+ 0 0 53 -4,-1.0 2,-1.8 -3,-0.4 -1,-0.3 0.623 74.3 87.6 -76.4 -12.8 22.5 14.8 1.7 114 114 A F <> + 0 0 43 -3,-3.1 4,-2.5 1,-0.2 5,-0.3 -0.288 56.6 160.0 -81.5 50.2 24.6 12.9 -0.8 115 115 A T H > + 0 0 84 -2,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.826 64.5 45.3 -40.4 -56.4 21.4 11.4 -2.1 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 114.3 46.5 -61.6 -45.3 22.6 10.2 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.871 109.6 55.7 -66.3 -38.4 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.889 108.5 48.2 -60.7 -40.3 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 120 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.909 111.0 49.8 -66.9 -43.4 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 24 -4,-2.1 5,-2.4 2,-0.2 4,-0.3 0.903 110.6 50.5 -63.6 -39.3 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.946 108.5 51.6 -63.7 -46.2 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.887 110.8 48.5 -58.4 -37.1 23.4 0.7 -2.2 123 123 A Q T 3<5S- 0 0 85 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.430 113.6-121.9 -80.6 -4.3 23.1 -0.6 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.9 2,-1.2 -4,-0.3 -3,-0.2 0.763 60.4 148.9 63.5 35.9 26.8 -1.5 -5.8 125 125 A R >< + 0 0 114 -5,-2.4 4,-2.6 1,-0.2 -1,-0.2 -0.725 19.4 173.7 -97.7 77.0 27.6 0.7 -8.8 126 126 A W H > S+ 0 0 50 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.890 70.2 45.0 -57.3 -51.2 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 116.0 48.1 -63.5 -42.0 32.7 3.2 -10.4 128 128 A E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 110.7 50.6 -66.3 -39.0 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.914 108.1 52.8 -62.4 -44.5 29.4 6.2 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.895 109.8 49.8 -58.5 -42.1 33.1 7.2 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.8 4,-0.6 1,-0.2 3,-0.3 0.921 113.9 43.6 -63.4 -48.4 32.5 9.6 -10.0 132 132 A N H >< S+ 0 0 41 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.856 108.1 58.2 -68.4 -35.4 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.837 99.7 60.2 -62.6 -31.9 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.1 2,-1.9 -3,-0.3 -1,-0.2 0.735 85.9 78.6 -70.4 -23.2 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 156 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 -0.510 80.4 99.2 -84.2 68.5 31.4 16.3 -7.6 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.1 1,-0.1 5,-0.1 -0.994 84.7-118.2-152.0 157.3 31.3 17.9 -4.2 137 137 A R H > S+ 0 0 140 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.891 115.0 63.1 -61.2 -37.5 32.6 20.7 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.932 104.8 42.8 -50.8 -52.9 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.915 116.3 49.7 -65.7 -42.1 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 106 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 114.3 42.9 -65.4 -37.9 37.3 20.1 -3.8 141 141 A Q H < S+ 0 0 104 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 131.9 19.2 -77.2 -42.0 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 23 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.583 72.2 164.4-129.8 69.8 40.1 18.1 1.0 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.822 70.7 52.1 -56.8 -40.5 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.931 115.8 39.9 -66.3 -46.6 43.7 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.925 114.9 52.2 -67.3 -44.6 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -8,-0.2 5,-0.3 0.939 108.3 52.7 -55.9 -44.7 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 92 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.866 107.3 51.8 -59.4 -39.4 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.922 113.4 43.5 -63.8 -43.6 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.909 113.6 51.0 -68.7 -42.2 37.8 7.5 0.9 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.872 108.5 51.6 -62.2 -39.3 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.873 106.4 54.9 -67.4 -37.4 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.889 111.0 45.0 -61.4 -41.4 38.0 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.890 114.5 48.8 -69.8 -38.3 34.4 2.7 -1.8 154 154 A R H < S+ 0 0 108 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.921 125.9 23.8 -65.8 -45.9 35.4 1.9 -5.4 155 155 A T H < S- 0 0 45 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.699 85.3-137.0 -94.8 -33.1 37.7 -1.1 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.1 2,-0.2 -5,-0.3 -62,-0.2 0.671 71.1 101.2 76.4 19.6 36.5 -2.4 -1.3 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -63,-0.1 -1,-0.3 -0.763 80.3-117.1-125.3 172.7 40.2 -2.8 -0.1 158 158 A W S >> S+ 0 0 43 -2,-0.2 3,-2.4 1,-0.2 4,-0.6 0.149 71.7 124.0 -95.6 17.7 42.4 -0.7 2.2 159 159 A D G >4 + 0 0 92 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.837 65.3 56.1 -47.3 -44.9 44.9 -0.0 -0.6 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.588 109.5 49.9 -66.8 -12.9 44.8 3.8 -0.3 161 161 A Y G <4 0 0 19 -3,-2.4 -1,-0.3 -13,-0.1 -2,-0.2 0.398 360.0 360.0-106.3 -0.1 45.7 3.5 3.3 162 162 A K << 0 0 178 -3,-1.6 -2,-0.2 -4,-0.6 -3,-0.1 0.800 360.0 360.0-106.8 360.0 48.6 1.2 2.8