==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-09 3HTF . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8985.0 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 . 10 6.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 1 0 0 0 0 0 0 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 1 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 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 0.000 360.0 360.0 360.0 144.2 17.1 1.8 8.9 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.920 360.0 -83.2-152.1 174.9 20.3 0.9 10.7 3 3 A I H > S+ 0 0 19 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.828 125.4 51.1 -57.3 -35.4 22.4 -2.2 11.2 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 112.9 42.9 -66.7 -49.9 20.3 -3.5 14.0 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 115.5 52.6 -63.0 -36.0 17.0 -3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.936 112.8 41.1 -67.1 -49.7 18.7 -4.6 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.4 0.841 110.2 59.2 -70.1 -30.7 20.0 -7.7 10.8 8 8 A R H X S+ 0 0 108 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.912 108.6 45.8 -61.1 -42.9 16.8 -8.1 12.8 9 9 A I H < S+ 0 0 84 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.942 118.0 42.5 -59.8 -48.6 15.0 -8.4 9.4 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.784 125.9 30.8 -73.3 -28.1 17.6 -10.8 8.0 11 11 A E H < S- 0 0 42 -4,-2.6 19,-0.4 1,-0.1 -1,-0.2 0.656 93.2-152.4-107.1 -23.3 18.0 -13.0 11.0 12 12 A G < - 0 0 22 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.184 23.7 -89.3 75.4-174.8 14.5 -12.9 12.6 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.948 45.0 168.0-138.6 115.9 14.0 -13.3 16.4 14 14 A R E -A 28 0A 150 14,-2.1 14,-2.8 -2,-0.4 4,-0.1 -0.997 20.6-162.2-127.9 133.1 13.3 -16.7 17.9 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.562 73.2 65.9 -92.6 -8.7 13.4 -17.3 21.7 16 16 A K E S-C 57 0B 148 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.870 101.7 -87.8-108.6 147.9 13.8 -21.1 21.6 17 17 A I E + 0 0 30 39,-2.3 2,-0.3 -2,-0.3 10,-0.2 -0.260 58.5 168.5 -50.7 130.5 16.8 -22.9 20.2 18 18 A Y E -A 26 0A 29 8,-2.6 8,-3.0 -4,-0.1 2,-0.4 -0.870 37.5-103.0-134.9 170.6 16.3 -23.4 16.4 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.847 35.0-135.3 -98.5 133.6 18.6 -24.6 13.6 20 20 A D > - 0 0 42 4,-2.6 3,-2.3 -2,-0.4 -1,-0.1 -0.043 42.7 -78.0 -73.7-173.4 19.9 -21.8 11.2 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.729 135.1 51.9 -61.3 -22.6 19.9 -22.1 7.4 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.389 123.0-103.8 -95.5 0.9 23.0 -24.3 7.7 23 23 A G S < S+ 0 0 39 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.572 75.9 138.4 89.8 12.2 21.3 -26.7 10.2 24 24 A Y - 0 0 71 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.777 61.8-102.2-101.7 138.6 23.2 -25.3 13.2 25 25 A Y E +A 19 0A 31 11,-0.4 8,-2.8 -2,-0.4 9,-1.4 -0.267 54.3 159.9 -61.8 132.1 21.7 -24.6 16.7 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.6 6,-0.3 2,-0.3 -0.895 19.3-166.5-148.0 159.8 21.1 -20.9 17.1 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.3 -2,-0.3 -12,-0.2 -0.983 52.0 3.3-149.2 162.3 18.9 -18.7 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-2.1 -2,-0.3 2,-0.9 -0.407 124.6 -6.3 75.6-131.5 17.7 -15.1 19.4 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.690 128.9 -53.0-101.7 73.5 18.7 -12.9 16.5 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.843 81.8 163.5 62.4 36.4 21.0 -15.3 14.7 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.9 -20,-0.1 -1,-0.2 -0.769 32.1-142.8 -87.2 105.4 23.2 -16.1 17.7 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.460 19.4-176.1 -68.0 128.7 25.0 -19.2 16.6 33 33 A L - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.867 59.0 -33.9 -93.3 -44.0 25.4 -21.5 19.6 34 34 A T - 0 0 32 -9,-1.4 -1,-0.4 2,-0.1 -9,-0.4 -0.968 35.4-129.4-170.3 157.1 27.4 -24.3 18.1 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.483 75.2 116.0 -92.2 -5.4 28.1 -26.4 15.0 36 36 A S - 0 0 36 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.386 67.0-141.1 -61.7 133.5 27.7 -29.5 17.0 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.478 76.8 102.8 -70.6 -2.4 24.7 -31.8 16.1 38 38 A D >> - 0 0 79 1,-0.2 4,-1.7 -13,-0.0 3,-0.5 -0.762 60.9-159.0 -91.2 114.3 24.2 -32.4 19.8 39 39 A L H 3> S+ 0 0 67 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.846 93.5 58.1 -59.0 -34.3 21.3 -30.4 21.2 40 40 A N H 3> S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 103.0 52.0 -65.7 -34.7 22.8 -30.8 24.7 41 41 A A H <> S+ 0 0 30 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.907 110.3 49.4 -66.5 -41.5 26.1 -29.1 23.6 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.899 109.5 51.5 -61.8 -44.7 24.0 -26.2 22.2 43 43 A K H X S+ 0 0 59 -4,-2.6 4,-2.3 2,-0.2 11,-0.3 0.871 108.7 51.2 -60.1 -39.1 22.1 -26.0 25.5 44 44 A S H X S+ 0 0 74 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 110.9 48.4 -60.2 -47.1 25.4 -25.8 27.4 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.878 110.8 51.8 -63.1 -37.6 26.6 -23.0 25.1 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.943 109.9 47.4 -62.7 -48.2 23.4 -21.2 25.6 47 47 A D H X>S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.2 5,-1.0 0.886 112.9 49.6 -64.3 -37.3 23.6 -21.4 29.4 48 48 A K H <5S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 111.8 49.4 -65.2 -39.5 27.2 -20.2 29.3 49 49 A A H <5S+ 0 0 41 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.5 34.3 -69.3 -35.3 26.2 -17.3 27.0 50 50 A I H <5S- 0 0 39 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.765 101.6-127.2 -93.5 -26.9 23.3 -16.1 29.2 51 51 A G T <5S+ 0 0 68 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.730 78.2 71.7 83.4 24.3 24.8 -17.0 32.6 52 52 A R S - 0 0 8 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.680 29.7-145.6 -90.9 -20.5 17.9 -21.5 30.2 55 55 A N T 3 S- 0 0 125 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.926 75.1 -52.4 44.5 49.9 16.7 -24.9 29.3 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.3 1,-0.1 2,-0.4 0.522 120.3 96.3 76.8 10.6 16.8 -23.9 25.6 57 57 A V B < +C 16 0B 65 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.994 44.7 179.2-139.3 136.7 14.7 -20.7 26.0 58 58 A I - 0 0 5 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.816 27.2-109.0-130.0 168.1 15.6 -17.0 26.4 59 59 A T > - 0 0 67 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.456 33.4-108.7 -89.2 169.2 13.8 -13.7 26.8 60 60 A K H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 121.7 53.3 -64.3 -39.9 13.6 -10.9 24.2 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 108.9 49.1 -59.4 -43.2 15.9 -8.8 26.4 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 110.9 50.0 -64.8 -42.3 18.4 -11.7 26.5 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -34,-0.4 0.915 111.2 48.8 -60.9 -42.0 18.2 -12.1 22.7 64 64 A E H X S+ 0 0 75 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.871 109.0 53.8 -70.1 -33.4 18.8 -8.4 22.2 65 65 A K H X S+ 0 0 138 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 110.6 45.4 -62.6 -47.0 21.8 -8.5 24.6 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.909 112.1 53.4 -60.4 -39.8 23.4 -11.3 22.6 67 67 A F H X S+ 0 0 10 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.923 106.8 50.7 -63.2 -46.7 22.6 -9.4 19.5 68 68 A N H X S+ 0 0 86 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.926 113.7 45.7 -54.1 -49.3 24.3 -6.2 20.8 69 69 A Q H X S+ 0 0 101 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.905 114.2 49.0 -60.6 -41.8 27.4 -8.3 21.7 70 70 A D H X S+ 0 0 35 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.894 111.8 46.3 -70.1 -40.8 27.3 -10.1 18.3 71 71 A V H X S+ 0 0 6 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.948 114.4 49.0 -66.3 -47.1 27.0 -6.9 16.2 72 72 A D H X S+ 0 0 94 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.923 112.3 48.6 -54.4 -47.7 29.8 -5.3 18.2 73 73 A A H X S+ 0 0 60 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.878 108.7 54.0 -64.5 -40.0 32.0 -8.4 17.8 74 74 A A H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.943 113.1 41.6 -57.3 -52.0 31.4 -8.5 14.0 75 75 A V H X S+ 0 0 27 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.933 114.3 51.3 -65.6 -44.1 32.5 -4.9 13.5 76 76 A R H X S+ 0 0 132 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.894 109.1 52.4 -61.2 -37.5 35.4 -5.2 15.9 77 77 A G H >X S+ 0 0 5 -4,-2.5 4,-0.9 2,-0.2 3,-0.6 0.939 108.6 49.7 -59.7 -48.1 36.5 -8.3 13.9 78 78 A I H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 7,-0.5 0.950 109.6 51.6 -55.8 -47.8 36.3 -6.3 10.7 79 79 A L H 3< S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.757 111.5 47.5 -64.9 -22.1 38.4 -3.6 12.2 80 80 A R H << S+ 0 0 177 -4,-1.3 2,-0.7 -3,-0.6 -1,-0.3 0.529 91.7 95.9 -89.7 -11.6 41.0 -6.2 13.3 81 81 A N S+ 0 0 151 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.839 120.7 39.0 -83.8 -35.4 42.1 -7.4 4.5 84 84 A L H > S+ 0 0 16 -6,-0.2 4,-3.0 -7,-0.1 3,-0.3 0.866 101.1 68.7 -85.1 -38.9 38.7 -6.1 5.6 85 85 A K H X S+ 0 0 95 -4,-3.3 4,-3.2 -7,-0.5 5,-0.2 0.903 100.2 46.6 -53.6 -50.6 39.5 -2.9 7.5 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.876 116.0 46.5 -62.9 -33.4 40.7 -0.8 4.6 87 87 A V H X S+ 0 0 9 -4,-0.5 4,-0.7 -3,-0.3 3,-0.5 0.961 114.6 46.4 -68.0 -49.7 37.7 -1.9 2.5 88 88 A Y H >< S+ 0 0 27 -4,-3.0 3,-1.5 1,-0.2 -3,-0.2 0.933 112.3 50.4 -58.0 -46.5 35.3 -1.2 5.3 89 89 A D H 3< S+ 0 0 73 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.766 104.6 59.5 -70.8 -19.6 36.8 2.1 6.1 90 90 A S H 3< S+ 0 0 34 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.666 94.2 90.1 -73.8 -20.2 36.6 3.1 2.4 91 91 A L S << S- 0 0 7 -3,-1.5 2,-0.1 -4,-0.7 31,-0.0 -0.458 78.1-116.9 -82.6 152.4 32.8 2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.278 45.0 -92.8 -70.4 169.4 30.0 5.1 3.2 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.844 123.1 48.6 -60.1 -40.2 27.8 4.4 6.3 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.3 1,-0.2 3,-0.4 0.946 112.8 47.1 -70.7 -45.3 25.1 2.4 4.5 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 105.5 60.9 -63.7 -33.8 27.6 0.1 2.6 96 96 A R H X S+ 0 0 83 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.882 100.6 55.4 -56.8 -38.3 29.4 -0.4 6.0 97 97 A C H X S+ 0 0 17 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.879 104.5 52.1 -63.1 -38.0 26.1 -1.9 7.2 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.900 109.1 50.5 -63.7 -39.2 26.2 -4.4 4.4 99 99 A A H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.913 111.0 47.8 -63.8 -44.0 29.7 -5.3 5.4 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.923 112.3 50.7 -62.0 -42.6 28.7 -5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.942 109.9 49.0 -60.1 -49.9 25.7 -7.9 7.8 102 102 A Q H X S+ 0 0 21 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.924 114.7 44.1 -59.4 -45.0 27.9 -10.1 5.6 103 103 A V H X S+ 0 0 17 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.875 109.9 56.6 -67.7 -38.4 30.4 -10.8 8.4 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.932 118.3 34.2 -54.5 -48.9 27.6 -11.4 10.9 105 105 A Q H < S+ 0 0 52 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.917 133.6 25.3 -72.0 -48.1 26.2 -14.1 8.7 106 106 A M H < S- 0 0 62 -4,-3.3 3,-0.4 1,-0.3 4,-0.4 0.549 87.7-148.7-100.7 -13.5 29.5 -15.5 7.2 107 107 A G < - 0 0 36 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.339 41.5 -73.9 68.0-154.8 32.2 -14.7 9.8 108 108 A E S > S+ 0 0 70 1,-0.1 3,-1.6 2,-0.1 4,-0.3 0.406 102.9 96.8-118.3 -2.5 35.7 -14.1 8.4 109 109 A T T 3 S+ 0 0 147 -3,-0.4 3,-0.3 1,-0.3 4,-0.1 0.813 89.0 47.1 -66.4 -25.3 36.9 -17.6 7.4 110 110 A G T >> S+ 0 0 33 -4,-0.4 4,-0.8 1,-0.2 3,-0.5 0.202 75.6 111.7-100.0 15.8 35.9 -17.0 3.7 111 111 A V G X4 S+ 0 0 21 -3,-1.6 3,-1.3 1,-0.2 7,-0.2 0.886 72.9 57.4 -55.1 -43.1 37.4 -13.6 3.3 112 112 A A G >4 S+ 0 0 78 -3,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.842 100.0 58.8 -62.3 -35.0 40.1 -14.7 0.9 113 113 A G G <4 S+ 0 0 65 -3,-0.5 3,-0.4 1,-0.2 -1,-0.3 0.795 104.3 52.5 -58.0 -28.7 37.5 -16.1 -1.5 114 114 A F G S+ 0 0 77 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.877 79.0 46.1 -45.3 -49.0 39.3 -11.0 -2.6 116 116 A N H > S+ 0 0 76 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.921 113.2 47.7 -67.1 -43.1 37.9 -9.8 -6.0 117 117 A S H > S+ 0 0 0 -4,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.916 112.4 50.9 -59.7 -45.7 34.6 -8.5 -4.6 118 118 A L H X S+ 0 0 24 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.886 108.6 50.6 -61.9 -40.7 36.6 -6.6 -1.9 119 119 A R H X S+ 0 0 109 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.948 112.0 47.9 -62.6 -45.9 38.9 -5.0 -4.4 120 120 A M H <>S+ 0 0 26 -4,-2.3 5,-2.7 1,-0.2 4,-0.4 0.880 110.8 51.1 -63.4 -38.9 35.9 -3.9 -6.5 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.3 2,-0.2 -1,-0.2 0.933 111.0 47.6 -62.1 -46.5 34.1 -2.5 -3.4 122 122 A Q H 3<5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.880 112.1 50.3 -63.6 -34.4 37.3 -0.6 -2.4 123 123 A Q T 3<5S- 0 0 81 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.538 111.5-125.8 -75.0 -8.1 37.5 0.7 -6.0 124 124 A K T < 5 + 0 0 96 -3,-1.3 2,-1.5 -4,-0.4 -3,-0.2 0.798 59.6 148.6 58.8 33.8 33.8 1.7 -5.8 125 125 A R >< + 0 0 118 -5,-2.7 4,-3.0 1,-0.2 5,-0.2 -0.668 22.5 175.6 -89.8 79.0 33.0 -0.4 -8.9 126 126 A W H > + 0 0 51 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.838 67.9 43.2 -66.0 -43.1 29.5 -1.0 -7.5 127 127 A D H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 117.3 48.4 -71.4 -38.5 27.8 -3.0 -10.2 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.920 111.6 49.7 -63.7 -44.8 30.9 -5.1 -10.8 129 129 A A H X S+ 0 0 1 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.930 110.8 50.4 -56.6 -47.0 31.2 -5.8 -7.1 130 130 A A H X S+ 0 0 8 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.887 110.5 48.5 -64.3 -41.4 27.6 -6.8 -7.0 131 131 A V H X S+ 0 0 90 -4,-2.3 4,-0.6 2,-0.2 3,-0.3 0.935 114.5 46.5 -61.9 -45.7 28.0 -9.2 -9.9 132 132 A N H >< S+ 0 0 31 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.924 107.8 55.7 -63.4 -41.5 31.0 -10.7 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.2 6,-0.4 1,-0.3 -1,-0.2 0.821 102.9 56.9 -60.3 -32.0 29.4 -11.0 -4.9 134 134 A A H 3< S+ 0 0 32 -4,-1.3 2,-1.8 -3,-0.3 -1,-0.3 0.632 85.1 82.4 -77.2 -13.7 26.6 -13.0 -6.4 135 135 A K S << S+ 0 0 151 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.537 81.4 100.2 -88.4 68.4 29.0 -15.6 -7.8 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.995 85.2-119.8-154.5 149.6 29.1 -17.4 -4.4 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.907 116.5 62.1 -52.1 -43.6 27.9 -20.2 -2.3 138 138 A W H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.938 106.4 41.5 -46.9 -56.6 26.6 -17.4 -0.1 139 139 A Y H 4 S+ 0 0 53 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.933 116.0 49.3 -61.0 -46.1 24.3 -16.1 -2.8 140 140 A N H < S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.9 43.1 -68.8 -28.7 23.2 -19.5 -3.9 141 141 A Q H < S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 133.0 19.3 -86.3 -37.8 22.4 -20.8 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 -0.524 76.0 157.7-127.4 67.9 20.7 -17.7 0.9 143 143 A P H > + 0 0 51 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.871 69.8 51.0 -66.5 -38.4 19.7 -15.8 -2.3 144 144 A D H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.923 117.4 40.1 -65.9 -41.3 16.9 -13.6 -1.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 116.3 49.9 -69.3 -46.7 19.0 -12.3 1.9 146 146 A A H X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.907 106.6 56.8 -60.5 -38.9 22.2 -12.1 -0.2 147 147 A K H X S+ 0 0 112 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.896 108.7 47.0 -56.5 -41.8 20.2 -10.1 -2.9 148 148 A R H X S+ 0 0 65 -4,-1.3 4,-1.8 2,-0.2 12,-0.2 0.919 114.9 44.9 -64.8 -46.3 19.3 -7.6 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 114.5 49.1 -67.2 -43.1 22.8 -7.3 1.2 150 150 A I H X S+ 0 0 6 -4,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.887 108.5 52.6 -64.4 -41.0 24.2 -7.0 -2.4 151 151 A T H X S+ 0 0 27 -4,-2.4 4,-2.6 -5,-0.3 6,-0.4 0.879 108.8 52.1 -59.0 -38.1 21.7 -4.3 -3.3 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.917 112.0 44.7 -64.1 -45.4 22.8 -2.4 -0.3 153 153 A F H < S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.855 115.4 49.4 -63.7 -35.9 26.5 -2.8 -1.4 154 154 A R H < S+ 0 0 82 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.886 127.7 18.9 -72.4 -39.5 25.5 -1.8 -4.9 155 155 A T H < S- 0 0 49 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.626 82.7-135.4-108.1 -18.5 23.5 1.3 -4.1 156 156 A G S < S+ 0 0 15 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.778 72.8 110.6 52.5 30.9 24.4 2.5 -0.6 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.843 78.2-124.2-121.5 167.5 20.7 2.9 -0.0 158 158 A W S > S+ 0 0 50 -2,-0.3 3,-2.1 1,-0.2 4,-0.3 0.142 71.3 121.4 -93.7 19.6 18.3 1.0 2.2 159 159 A D G > + 0 0 124 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.825 68.5 57.3 -57.6 -35.0 15.9 0.3 -0.8 160 160 A A G 3 S+ 0 0 32 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.666 110.5 44.2 -71.8 -14.1 16.2 -3.5 -0.3 161 161 A Y G < 0 0 11 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.325 360.0 360.0-110.1 7.2 14.9 -3.2 3.3 162 162 A K < 0 0 222 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.1 -0.164 360.0 360.0 75.6 360.0 12.1 -0.7 2.4