==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-08 3C8S . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR B.H.M.MOOERS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 74.4 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 7.3 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 . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.4 43.5 -1.9 9.2 2 2 A N > - 0 0 64 95,-0.0 4,-2.5 1,-0.0 5,-0.2 -0.899 360.0 -82.8-150.3 175.8 40.3 -0.7 10.9 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.789 123.5 53.0 -57.7 -34.4 38.3 2.4 11.4 4 4 A F H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 112.3 42.2 -68.7 -47.9 40.5 3.7 14.1 5 5 A E H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.829 114.9 53.1 -63.2 -40.8 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.953 113.6 40.9 -62.6 -48.5 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.3 0.837 109.8 59.0 -69.7 -30.0 40.7 7.9 11.0 8 8 A R H X S+ 0 0 114 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.905 108.1 47.4 -65.8 -35.5 44.0 8.3 12.9 9 9 A I H < S+ 0 0 57 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.959 115.7 43.2 -67.6 -50.2 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.753 125.9 31.1 -68.5 -28.0 43.2 11.1 8.0 11 11 A E H < S- 0 0 45 -4,-2.1 19,-0.3 -5,-0.2 -1,-0.2 0.617 91.1-156.0-102.8 -26.0 42.9 13.3 11.2 12 12 A G < - 0 0 24 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.070 25.4 -85.4 68.5-175.7 46.3 13.0 12.7 13 13 A L + 0 0 50 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.979 42.8 170.2-134.3 124.7 46.8 13.7 16.5 14 14 A R E -A 28 0A 137 14,-1.4 14,-2.2 -2,-0.4 4,-0.1 -0.999 20.0-161.0-132.1 131.3 47.5 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 0.521 74.5 63.9 -90.5 -4.0 47.4 17.6 21.9 16 16 A K E S-C 57 0B 54 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.816 101.1 -85.9-116.8 154.8 46.9 21.4 21.9 17 17 A I E + 0 0 30 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.393 57.9 170.8 -58.6 133.1 43.9 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-2.9 8,-3.1 -4,-0.1 2,-0.5 -0.854 35.3-106.4-136.3 171.6 44.4 23.8 16.8 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.868 34.6-136.1-102.3 136.8 42.2 25.1 13.9 20 20 A D > - 0 0 48 4,-2.6 3,-2.1 -2,-0.5 -1,-0.0 -0.114 41.0 -79.3 -81.4-174.6 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.774 135.3 47.6 -57.8 -24.7 41.0 22.8 7.7 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.351 124.0-103.4 -94.1 0.4 37.8 25.1 7.9 23 23 A G S < S+ 0 0 28 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.574 74.6 141.2 89.0 9.4 39.4 27.2 10.7 24 24 A Y - 0 0 75 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.698 60.2-102.0 -89.4 144.0 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 37 9,-0.6 8,-3.0 11,-0.4 9,-1.4 -0.437 54.7 160.5 -64.5 129.6 38.9 24.9 16.9 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.9 6,-0.3 2,-0.3 -0.838 17.3-175.3-143.9 165.3 39.7 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.3 4,-2.2 -2,-0.3 -12,-0.2 -0.964 51.4 12.4-158.4 165.4 41.9 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.4 -2,-0.3 2,-1.2 -0.340 124.5 -9.3 69.6-134.9 42.9 15.4 19.7 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.615 126.6 -53.9 -99.9 75.2 42.0 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.2 2,-1.2 -19,-0.3 -2,-0.2 0.760 83.3 162.1 69.6 25.3 39.8 15.6 14.8 31 31 A H E < -B 27 0A 32 -4,-2.2 -4,-1.3 -20,-0.1 -1,-0.2 -0.667 34.1-139.3 -84.0 103.4 37.5 16.3 17.8 32 32 A L E -B 26 0A 73 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.338 20.3-175.3 -61.4 127.1 35.7 19.5 16.8 33 33 A L E - 0 0 13 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.903 59.2 -32.1 -90.5 -45.0 35.4 21.8 19.8 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.976 33.4-133.9-168.6 161.5 33.2 24.6 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.624 77.1 106.4 -97.5 -12.8 32.4 26.6 15.3 36 36 A S S S- 0 0 50 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.267 74.9-131.2 -65.5 146.9 32.6 29.8 17.2 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.406 75.4 107.4 -82.4 4.2 35.7 32.0 16.6 38 38 A S > - 0 0 45 1,-0.2 4,-2.5 -13,-0.0 5,-0.2 -0.730 55.7-160.5 -88.6 112.1 36.3 32.5 20.4 39 39 A L H > S+ 0 0 65 -2,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.836 96.6 57.3 -57.4 -27.3 39.3 30.6 21.7 40 40 A N H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.933 102.8 50.5 -71.3 -42.4 37.7 31.0 25.1 41 41 A A H > S+ 0 0 32 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 111.7 49.2 -54.3 -48.6 34.6 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.876 109.0 53.2 -62.3 -36.1 36.8 26.5 22.7 43 43 A K H X S+ 0 0 67 -4,-2.2 4,-2.0 -5,-0.2 11,-0.2 0.905 109.4 47.8 -69.4 -35.7 38.6 26.4 25.9 44 44 A S H X S+ 0 0 69 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.950 110.2 51.7 -67.1 -47.6 35.4 26.0 27.8 45 45 A E H X S+ 0 0 66 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.881 108.9 52.9 -56.1 -42.1 34.1 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.957 109.2 45.6 -58.3 -56.8 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 5,-1.1 0.858 113.3 52.0 -53.3 -43.2 37.2 21.5 29.9 48 48 A K H <5S+ 0 0 141 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.895 111.0 47.3 -62.4 -41.3 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.897 122.0 34.2 -69.9 -35.3 34.3 17.5 27.4 50 50 A I H <5S- 0 0 35 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.727 103.4-124.9 -92.9 -30.5 37.2 16.3 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.2 0.775 75.9 61.1 92.0 28.4 36.0 17.1 32.9 52 52 A R S - 0 0 8 -2,-0.7 3,-1.7 -11,-0.2 -1,-0.2 0.639 32.1-147.4 -99.7 -23.4 42.9 21.7 30.7 55 55 A N T 3 S- 0 0 124 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.916 75.9 -48.6 49.4 51.7 43.9 25.2 29.7 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.412 121.7 90.4 77.9 -3.6 44.0 24.2 26.0 57 57 A V B < -C 16 0B 77 -3,-1.7 2,-0.3 -41,-0.2 -41,-0.2 -0.966 46.8-179.6-134.7 144.9 46.0 21.0 26.4 58 58 A I - 0 0 5 -43,-2.0 2,-0.1 -2,-0.4 -30,-0.1 -0.884 27.4-104.3-132.0 169.4 45.2 17.3 27.0 59 59 A T > - 0 0 60 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.347 32.1-111.1 -90.0 171.0 46.9 14.0 27.3 60 60 A K H > S+ 0 0 123 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.929 120.7 53.3 -68.7 -41.6 47.2 11.2 24.8 61 61 A D H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 110.0 48.4 -56.2 -49.3 44.9 9.0 26.9 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.934 110.4 50.9 -57.6 -45.1 42.4 11.9 26.9 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.905 111.6 48.1 -60.1 -41.3 42.7 12.3 23.2 64 64 A E H X S+ 0 0 81 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.868 109.0 52.9 -71.4 -30.5 42.1 8.6 22.7 65 65 A K H X S+ 0 0 142 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.936 110.0 47.3 -70.1 -41.3 39.2 8.6 25.0 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 110.7 55.6 -61.8 -39.2 37.6 11.5 23.0 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.959 105.3 48.9 -62.2 -47.4 38.4 9.5 19.9 68 68 A N H X S+ 0 0 94 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.924 112.0 50.1 -57.2 -43.1 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.910 109.8 50.7 -63.2 -39.6 33.5 8.4 22.0 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.851 111.0 46.6 -68.9 -37.1 33.4 10.1 18.6 71 71 A V H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.945 112.8 51.4 -69.8 -43.8 33.6 6.9 16.6 72 72 A D H X S+ 0 0 105 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.943 111.1 47.0 -56.0 -48.2 31.0 5.4 18.8 73 73 A A H X S+ 0 0 57 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.915 109.4 53.9 -61.7 -43.2 28.7 8.4 18.2 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.936 112.7 44.6 -58.0 -43.2 29.3 8.4 14.4 75 75 A V H X S+ 0 0 32 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.942 112.8 48.6 -67.5 -45.4 28.3 4.8 14.3 76 76 A R H X S+ 0 0 42 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.883 111.1 53.6 -66.2 -29.7 25.3 5.2 16.5 77 77 A G H X S+ 0 0 3 -4,-2.7 4,-0.8 -5,-0.3 -1,-0.2 0.918 106.0 50.7 -69.1 -45.7 24.3 8.2 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 7,-0.5 0.934 110.5 51.1 -56.2 -44.4 24.5 6.2 11.2 79 79 A L H 3< S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.8 47.9 -68.1 -27.1 22.3 3.6 12.7 80 80 A R H 3< S+ 0 0 187 -4,-1.5 2,-0.6 -3,-0.2 -1,-0.3 0.535 93.7 96.2 -88.4 -8.4 19.6 6.0 13.9 81 81 A N S+ 0 0 123 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.854 121.6 40.4 -86.8 -35.2 18.8 7.6 5.0 84 84 A L H > S+ 0 0 0 -7,-0.1 4,-2.5 2,-0.1 3,-0.3 0.897 102.5 64.6 -80.7 -41.9 22.1 6.2 6.3 85 85 A K H X S+ 0 0 84 -4,-3.3 4,-2.6 -7,-0.5 5,-0.2 0.862 100.2 51.6 -52.6 -43.4 21.2 2.9 7.9 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.914 112.9 46.0 -62.4 -42.6 20.1 1.2 4.8 87 87 A V H >X S+ 0 0 0 -4,-0.6 4,-0.9 -3,-0.3 3,-0.5 0.976 112.4 47.9 -64.5 -51.2 23.2 2.1 3.0 88 88 A Y H >< S+ 0 0 29 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.863 109.8 54.6 -58.2 -38.4 25.5 1.1 5.8 89 89 A D H 3< S+ 0 0 88 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.879 106.4 52.0 -65.6 -34.2 23.7 -2.2 6.2 90 90 A S H << S+ 0 0 40 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.654 96.0 91.8 -76.0 -13.8 24.2 -3.0 2.5 91 91 A L S << S- 0 0 9 -4,-0.9 31,-0.0 -3,-0.8 2,-0.0 -0.550 75.9-118.7 -89.3 151.7 27.9 -2.4 2.6 92 92 A D > - 0 0 54 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.253 43.6 -94.0 -72.0 169.0 30.8 -4.9 3.3 93 93 A A H > S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.751 122.1 47.7 -61.4 -30.6 33.0 -4.2 6.3 94 94 A V H >> S+ 0 0 29 2,-0.2 3,-1.1 62,-0.2 4,-1.0 0.948 112.6 47.5 -74.1 -50.2 35.7 -2.2 4.5 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.854 102.6 64.4 -61.9 -31.2 33.3 0.0 2.7 96 96 A E H 3X S+ 0 0 43 -4,-2.2 4,-2.4 1,-0.3 -1,-0.3 0.858 98.2 56.5 -58.9 -32.6 31.4 0.7 5.9 97 97 A C H S+ 0 0 3 -4,-2.0 4,-3.1 1,-0.2 5,-0.5 0.933 112.0 49.2 -62.6 -44.7 32.6 10.7 6.0 103 103 A V H X5S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.891 109.6 53.0 -61.1 -36.3 30.1 11.0 8.9 104 104 A F H <5S+ 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.881 118.2 37.9 -62.8 -39.5 33.0 11.7 11.3 105 105 A Q H <5S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.887 133.7 17.8 -78.6 -47.1 34.2 14.4 9.0 106 106 A M H X5S- 0 0 54 -4,-3.1 4,-0.6 -5,-0.2 -3,-0.2 0.553 103.4-117.4-108.4 -17.0 31.0 16.0 7.8 107 107 A G H X< - 0 0 30 -4,-2.0 4,-2.1 -5,-0.5 5,-0.2 0.000 33.9 -74.0 91.2 158.3 28.4 14.9 10.2 108 108 A E H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 129.4 48.7 -57.3 -48.1 25.3 12.8 9.8 109 109 A T H > S+ 0 0 124 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.923 108.9 52.1 -60.1 -50.3 23.3 15.6 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-1.5 1,-0.2 4,-0.2 0.944 112.8 44.2 -53.7 -51.5 26.1 16.5 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.9 1,-0.3 -1,-0.2 0.907 103.5 62.8 -63.0 -44.3 26.5 12.9 4.4 112 112 A A H 3< S+ 0 0 14 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.692 95.3 66.2 -54.0 -16.8 22.8 12.3 4.2 113 113 A G T << S+ 0 0 56 -3,-1.5 2,-1.1 -4,-0.7 3,-0.3 0.608 75.9 83.7 -81.5 -12.5 22.9 15.1 1.5 114 114 A F <> + 0 0 37 -3,-2.9 4,-3.3 -4,-0.2 5,-0.2 -0.171 57.9 152.9 -83.2 45.7 24.9 12.9 -0.8 115 115 A T H > + 0 0 79 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.843 65.8 43.9 -42.6 -56.8 21.6 11.4 -1.9 116 116 A N H > S+ 0 0 92 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.887 115.5 48.5 -64.0 -38.7 22.6 10.3 -5.4 117 117 A S H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.936 108.3 55.3 -66.7 -42.3 25.9 8.9 -4.2 118 118 A L H X S+ 0 0 12 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.914 108.3 47.9 -55.9 -45.4 24.1 7.0 -1.5 119 119 A R H X S+ 0 0 114 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.899 110.9 50.9 -62.7 -43.3 21.8 5.3 -3.9 120 120 A M H <>S+ 0 0 38 -4,-1.9 5,-2.1 1,-0.2 4,-0.5 0.929 110.0 49.4 -64.7 -40.6 24.6 4.4 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.942 108.6 53.4 -62.2 -43.6 26.5 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.885 109.9 47.8 -58.4 -36.2 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 114 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.486 113.9-122.2 -83.1 -1.9 23.2 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-1.6 2,-1.3 -4,-0.5 -3,-0.2 0.790 60.3 150.0 62.6 34.1 26.8 -1.3 -5.7 125 125 A R >< + 0 0 89 -5,-2.1 4,-2.7 1,-0.2 5,-0.2 -0.675 20.4 176.0 -91.9 78.1 27.7 0.8 -8.8 126 126 A W H > S+ 0 0 51 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.890 70.4 42.7 -57.0 -50.1 31.2 1.6 -7.4 127 127 A D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 115.7 49.7 -69.0 -38.4 32.7 3.5 -10.3 128 128 A E H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 111.1 49.4 -65.5 -40.6 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.5 2,-0.2 5,-0.2 0.903 107.5 55.1 -63.3 -38.8 29.4 6.4 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.912 108.0 48.4 -64.0 -40.3 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 88 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.930 113.6 47.6 -65.1 -44.3 32.5 9.9 -9.9 132 132 A N H >< S+ 0 0 44 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.902 107.8 54.3 -64.0 -40.9 29.5 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.4 1,-0.3 -1,-0.2 0.817 102.9 59.0 -63.2 -30.8 31.2 11.6 -4.8 134 134 A A H 3< S+ 0 0 25 -4,-1.4 2,-2.1 -5,-0.2 -1,-0.3 0.742 84.5 80.4 -70.2 -23.6 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 167 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 -0.478 81.9 98.5 -81.9 69.3 31.5 16.3 -7.7 136 136 A S S > S- 0 0 18 -2,-2.1 4,-2.0 1,-0.1 5,-0.2 -0.995 84.6-117.6-153.0 158.9 31.4 18.0 -4.3 137 137 A R H > S+ 0 0 155 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.913 114.1 62.9 -65.3 -39.1 32.7 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 0.942 105.7 43.9 -50.1 -51.2 34.2 18.0 0.1 139 139 A Y H 4 S+ 0 0 71 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 114.8 49.8 -62.2 -42.5 36.4 16.7 -2.7 140 140 A N H < S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 115.4 42.1 -69.4 -25.9 37.4 20.2 -3.8 141 141 A Q H < S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.824 132.9 17.3 -91.2 -33.1 38.3 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.525 72.2 161.9-138.5 71.0 40.1 18.2 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.828 69.8 53.9 -61.6 -41.5 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.957 115.5 39.2 -66.2 -43.1 43.7 14.0 -0.7 145 145 A R H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.944 115.5 52.5 -67.6 -47.1 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -8,-0.2 5,-0.3 0.905 106.9 55.0 -55.4 -39.6 38.5 12.6 -0.3 147 147 A K H X S+ 0 0 99 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.909 107.2 49.5 -59.1 -43.5 40.6 10.5 -2.7 148 148 A R H X S+ 0 0 52 -4,-1.6 4,-1.4 -3,-0.2 -1,-0.2 0.906 113.4 45.2 -62.9 -40.6 41.4 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.897 113.5 48.4 -71.9 -40.4 37.9 7.6 1.0 150 150 A I H X S+ 0 0 10 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.860 109.7 53.4 -67.9 -33.5 36.4 7.3 -2.5 151 151 A T H X S+ 0 0 33 -4,-2.2 4,-2.3 -5,-0.3 6,-0.4 0.846 106.7 53.2 -69.0 -32.2 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.919 110.9 45.1 -69.3 -43.8 38.0 2.8 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.912 114.9 50.3 -64.4 -41.5 34.4 2.9 -1.6 154 154 A R H < S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.894 122.9 26.1 -65.0 -40.8 35.4 2.0 -5.2 155 155 A T H < S- 0 0 47 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.641 84.0-134.1-100.4 -22.7 37.6 -1.0 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.3 2,-0.3 1,-0.3 -62,-0.2 0.615 76.1 97.8 74.5 9.5 36.5 -2.6 -1.1 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.800 81.3-120.2-125.7 174.5 40.1 -2.7 -0.1 158 158 A W S >> S+ 0 0 33 -2,-0.3 3,-2.7 1,-0.2 4,-0.8 0.230 70.5 121.1 -94.1 11.8 42.6 -0.7 2.1 159 159 A D G >4 + 0 0 103 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.830 68.3 58.2 -44.9 -43.6 45.0 0.0 -0.8 160 160 A A G 34 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.642 109.4 44.5 -65.6 -14.8 44.7 3.8 -0.4 161 161 A Y G X4 S+ 0 0 4 -3,-2.7 3,-0.7 -13,-0.1 -1,-0.3 0.456 91.6 98.4-109.2 -4.5 45.8 3.7 3.1 162 162 A K T << S+ 0 0 122 -3,-1.3 0, 0.0 -4,-0.8 0, 0.0 -0.625 83.6 27.8 -88.0 141.6 48.7 1.3 2.6 163 163 A N T 3 0 0 111 -2,-0.3 -1,-0.2 1,-0.2 -4,-0.0 0.817 360.0 360.0 77.0 34.1 52.1 2.9 2.3 164 164 A L < 0 0 146 -3,-0.7 -1,-0.2 0, 0.0 -3,-0.1 -0.231 360.0 360.0-113.9 360.0 51.0 5.9 4.5