==== 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 08-FEB-08 3C7W . 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) . 8725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 7.3 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 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 . 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 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 83 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 155.6 43.4 -1.9 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.6 1,-0.0 3,-0.3 -0.881 360.0 -88.4-143.4 170.8 40.3 -0.9 11.0 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.821 123.3 54.1 -52.8 -36.7 38.2 2.3 11.4 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 112.0 42.9 -66.5 -43.8 40.4 3.6 14.3 5 5 A E H > S+ 0 0 98 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.892 113.7 53.6 -67.5 -38.8 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.958 113.4 39.8 -63.8 -51.6 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.4 0.823 109.6 61.3 -67.7 -29.8 40.6 7.9 10.9 8 8 A R H X S+ 0 0 114 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.913 108.1 45.1 -62.4 -37.1 43.9 8.2 12.9 9 9 A I H < S+ 0 0 61 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.932 116.2 44.5 -69.5 -49.2 45.6 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.785 125.9 29.7 -68.3 -29.4 43.1 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.4 19,-0.4 -5,-0.2 -1,-0.2 0.650 91.5-155.0-104.8 -21.5 42.7 13.3 11.1 12 12 A G < - 0 0 25 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.139 25.7 -87.6 69.8-169.6 46.2 13.0 12.8 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.972 42.1 172.9-142.4 125.6 46.6 13.6 16.5 14 14 A R E -A 28 0A 141 14,-1.5 14,-2.3 -2,-0.4 4,-0.1 -1.000 18.6-161.9-133.6 130.3 47.2 17.1 18.3 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.409 74.8 63.6 -94.7 2.2 47.2 17.6 22.0 16 16 A K E S-C 57 0B 72 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.905 102.1 -85.7-120.9 151.4 46.8 21.4 21.9 17 17 A I E + 0 0 31 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.289 58.4 172.7 -55.8 134.9 43.7 23.3 20.5 18 18 A Y E -A 26 0A 26 8,-3.4 8,-3.1 -4,-0.1 2,-0.5 -0.851 35.0-104.7-137.6 174.9 44.1 23.8 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.883 34.5-141.1-102.8 131.9 42.1 25.0 13.8 20 20 A D > - 0 0 49 4,-2.7 3,-2.2 -2,-0.5 -1,-0.0 -0.113 42.4 -77.4 -79.2-172.1 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.767 135.7 47.9 -59.5 -23.1 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 88 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.377 123.1-103.9 -96.8 3.3 37.7 25.0 7.9 23 23 A G S < S+ 0 0 36 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.588 74.8 141.3 84.4 16.3 39.3 27.1 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.716 59.8-101.7 -94.5 144.5 37.2 25.6 13.5 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.3 11,-0.4 9,-1.5 -0.421 54.9 158.2 -66.2 127.4 38.7 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.4 6,-0.3 2,-0.3 -0.889 19.3-169.8-142.6 167.0 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 -12,-0.2 -0.983 51.3 7.4-156.0 165.9 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.5 -2,-0.3 2,-1.1 -0.378 123.1 -5.9 65.7-130.4 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 -0.660 126.9 -55.5-103.3 74.7 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 16 -2,-1.1 2,-1.1 -19,-0.4 -2,-0.2 0.771 83.3 161.0 65.5 29.2 39.7 15.5 14.9 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.7 1,-0.0 -1,-0.2 -0.703 34.5-139.9 -86.6 105.3 37.4 16.2 17.8 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.345 20.2-175.4 -60.8 127.9 35.6 19.5 16.8 33 33 A L E - 0 0 12 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.891 58.9 -28.4 -94.6 -42.8 35.2 21.8 19.8 34 34 A T E -B 25 0A 27 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.973 35.9-135.3-166.1 158.6 33.1 24.6 18.5 35 35 A K S S+ 0 0 151 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.485 75.2 108.2 -96.6 -6.2 32.3 26.5 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.428 72.7-133.4 -73.7 149.3 32.6 29.8 17.1 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.583 75.7 105.2 -75.0 -11.6 35.6 32.0 16.4 38 38 A S > - 0 0 45 1,-0.1 4,-1.4 -13,-0.0 3,-0.1 -0.644 57.4-158.4 -79.4 119.3 36.2 32.6 20.2 39 39 A L H > S+ 0 0 69 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 0.755 94.2 57.2 -63.5 -28.3 39.2 30.7 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 102.0 53.4 -69.6 -42.1 37.7 31.1 25.1 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 110.1 49.6 -58.9 -36.5 34.6 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.857 108.6 50.1 -71.3 -36.2 36.7 26.6 22.8 43 43 A K H X S+ 0 0 65 -4,-1.8 4,-2.0 2,-0.2 11,-0.3 0.858 112.0 51.2 -70.5 -31.4 38.7 26.3 26.0 44 44 A S H X S+ 0 0 73 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.945 110.3 45.9 -66.8 -51.2 35.3 26.3 27.7 45 45 A E H X S+ 0 0 66 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.899 111.3 56.0 -60.3 -40.7 34.0 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.931 108.2 44.8 -57.5 -47.2 37.3 21.6 26.0 47 47 A D H X>S+ 0 0 38 -4,-2.0 4,-3.0 1,-0.2 5,-1.0 0.871 112.8 52.3 -65.9 -38.4 37.1 21.6 29.9 48 48 A K H <5S+ 0 0 144 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.873 111.8 46.1 -64.0 -42.2 33.4 20.6 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.889 122.3 35.8 -68.8 -38.3 34.2 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.799 101.7-128.2 -87.7 -34.9 37.2 16.5 29.5 51 51 A G T <5S+ 0 0 66 -4,-3.0 2,-0.3 1,-0.4 -3,-0.2 0.760 75.2 65.0 92.7 26.6 36.0 17.3 32.9 52 52 A R S - 0 0 5 -2,-0.7 3,-1.7 -11,-0.3 -1,-0.2 0.610 31.9-145.2-101.3 -22.8 42.8 21.8 30.7 55 55 A N T 3 S- 0 0 134 1,-0.3 -2,-0.1 -12,-0.2 3,-0.1 0.939 75.4 -52.2 53.4 48.4 43.9 25.2 29.7 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.520 120.9 92.3 68.8 6.3 43.8 24.1 26.1 57 57 A V B < +C 16 0B 69 -3,-1.7 2,-0.3 -41,-0.2 -41,-0.2 -0.986 46.2 179.3-134.3 145.5 45.9 21.0 26.4 58 58 A I - 0 0 5 -43,-2.3 2,-0.1 -2,-0.4 -30,-0.1 -0.858 27.5-103.7-135.1 172.2 45.1 17.3 27.0 59 59 A T > - 0 0 58 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.454 32.8-108.2 -92.1 168.0 46.8 14.0 27.3 60 60 A K H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 121.1 51.2 -64.5 -39.2 47.0 11.2 24.8 61 61 A D H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 109.2 50.8 -67.6 -38.2 44.7 9.1 26.8 62 62 A E H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.9 49.8 -63.5 -41.0 42.2 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -34,-0.4 0.913 110.7 49.6 -63.4 -42.1 42.5 12.3 23.2 64 64 A E H X S+ 0 0 75 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.842 107.3 54.0 -69.2 -28.0 41.9 8.6 22.7 65 65 A K H X S+ 0 0 116 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.932 108.9 48.5 -69.9 -41.3 38.9 8.6 25.0 66 66 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.907 110.7 52.8 -61.6 -40.8 37.3 11.4 22.9 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.891 107.8 49.1 -63.6 -41.9 38.1 9.4 19.8 68 68 A N H X S+ 0 0 92 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.928 113.3 48.1 -63.9 -40.7 36.4 6.3 21.2 69 69 A Q H X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.916 112.1 49.8 -62.0 -45.3 33.3 8.3 22.1 70 70 A D H X S+ 0 0 36 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.827 110.0 48.0 -64.8 -36.2 33.3 10.0 18.7 71 71 A V H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.930 112.4 49.6 -72.6 -41.6 33.5 6.8 16.7 72 72 A D H X S+ 0 0 108 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.922 111.1 50.4 -61.8 -42.0 30.8 5.2 18.7 73 73 A A H X S+ 0 0 49 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.890 109.1 51.0 -63.8 -40.2 28.6 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.937 111.3 46.4 -64.1 -45.3 29.1 8.3 14.5 75 75 A V H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.940 114.6 47.4 -63.4 -43.0 28.2 4.6 14.1 76 76 A R H X S+ 0 0 50 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.892 108.9 55.1 -66.0 -35.8 25.1 5.0 16.2 77 77 A G H >X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.944 107.3 50.8 -60.0 -45.6 24.2 8.2 14.3 78 78 A I H 3< S+ 0 0 0 -4,-2.5 7,-0.5 1,-0.2 3,-0.5 0.935 109.4 50.2 -58.3 -44.2 24.3 6.2 11.1 79 79 A L H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.746 110.4 48.6 -70.1 -20.5 22.1 3.5 12.6 80 80 A R H << S+ 0 0 178 -4,-1.4 2,-0.4 -3,-0.6 -1,-0.2 0.631 93.8 94.7 -89.0 -18.1 19.5 6.0 13.7 81 81 A N X - 0 0 13 -4,-1.4 4,-2.6 -3,-0.5 -4,-0.0 -0.594 63.7-154.7 -80.5 124.7 19.5 7.7 10.3 82 82 A A T 4 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.833 96.7 43.8 -67.7 -27.4 16.8 6.5 7.9 83 83 A K T > S+ 0 0 126 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.868 120.7 40.7 -84.3 -32.3 18.8 7.5 4.9 84 84 A L H > S+ 0 0 0 -7,-0.1 4,-2.8 2,-0.1 3,-0.5 0.895 101.0 66.0 -82.4 -43.9 22.1 6.1 6.2 85 85 A K H X S+ 0 0 88 -4,-2.6 4,-3.0 -7,-0.5 5,-0.2 0.886 98.5 51.1 -49.0 -49.3 21.1 2.9 7.8 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.893 113.4 46.6 -61.7 -36.1 20.0 1.0 4.8 87 87 A V H X S+ 0 0 0 -4,-0.5 4,-0.8 -3,-0.5 3,-0.5 0.954 112.0 49.4 -70.3 -45.1 23.2 1.8 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.930 110.2 51.2 -59.0 -44.2 25.4 1.0 5.8 89 89 A D H 3< S+ 0 0 82 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 106.5 56.0 -66.8 -22.7 23.7 -2.4 6.2 90 90 A S H 3< S+ 0 0 38 -4,-1.2 -1,-0.3 -3,-0.5 2,-0.2 0.600 94.5 90.4 -81.5 -14.1 24.1 -3.2 2.5 91 91 A L S << S- 0 0 7 -3,-1.1 31,-0.0 -4,-0.8 2,-0.0 -0.593 74.4-118.4 -89.5 155.5 27.9 -2.8 2.6 92 92 A D > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.212 45.3 -92.0 -74.4 168.9 30.8 -5.1 3.2 93 93 A A H > S+ 0 0 77 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.805 122.1 46.9 -56.3 -38.0 33.1 -4.4 6.2 94 94 A V H >> S+ 0 0 27 62,-0.2 4,-1.0 1,-0.2 3,-1.0 0.947 112.9 48.7 -71.7 -48.3 35.7 -2.3 4.4 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.838 101.2 63.5 -60.5 -33.6 33.2 -0.2 2.7 96 96 A K H 3X S+ 0 0 49 -4,-2.3 4,-2.3 1,-0.3 -1,-0.3 0.867 99.5 57.5 -57.6 -33.8 31.3 0.4 5.9 97 97 A C H S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.874 129.7 53.8 -56.9 -46.1 25.1 12.6 9.6 109 109 A T H > S+ 0 0 117 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.931 107.0 49.1 -56.6 -53.4 23.3 15.5 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.7 1,-0.2 -2,-0.2 0.905 115.2 43.9 -57.9 -46.3 26.0 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.2 -1,-0.2 0.917 102.2 63.2 -69.7 -42.6 26.3 12.7 4.4 112 112 A A H 3< S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.736 96.1 66.6 -55.7 -15.6 22.6 12.0 4.2 113 113 A G T << S+ 0 0 58 -4,-0.7 2,-1.1 -3,-0.7 3,-0.3 0.550 74.2 84.6 -81.5 -8.5 22.6 14.8 1.5 114 114 A F <> + 0 0 41 -3,-2.8 4,-2.9 1,-0.2 5,-0.2 -0.335 58.0 156.7 -90.0 53.1 24.7 12.8 -1.0 115 115 A T H > + 0 0 78 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.850 65.1 44.5 -47.7 -50.6 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.911 115.1 48.5 -68.8 -39.8 22.5 10.1 -5.5 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.907 109.0 54.0 -66.0 -41.3 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 107.8 49.3 -59.0 -43.0 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 108 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.917 110.8 51.0 -64.7 -39.2 21.7 5.1 -4.0 120 120 A M H <>S+ 0 0 31 -4,-1.9 5,-2.5 1,-0.2 4,-0.3 0.907 110.1 48.8 -64.4 -40.9 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.903 108.7 54.1 -65.4 -38.0 26.5 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.875 109.7 47.5 -63.4 -34.4 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 99 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.429 114.5-119.9 -85.2 2.2 23.1 -0.7 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.5 2,-1.3 -4,-0.3 -3,-0.2 0.814 61.6 149.0 62.6 35.4 26.8 -1.6 -5.7 125 125 A R >< + 0 0 104 -5,-2.5 4,-2.6 1,-0.2 5,-0.2 -0.673 19.4 173.1 -97.3 77.8 27.6 0.6 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.907 69.1 44.8 -55.0 -50.9 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 116.2 48.6 -67.0 -37.6 32.7 3.2 -10.4 128 128 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 110.2 50.2 -69.2 -39.3 29.6 5.3 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.7 1,-0.2 5,-0.3 0.909 107.2 55.4 -62.8 -43.7 29.3 6.2 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.901 108.9 46.9 -56.3 -42.4 33.0 7.2 -7.1 131 131 A V H X S+ 0 0 92 -4,-1.6 4,-0.6 2,-0.2 3,-0.3 0.943 114.1 47.9 -65.7 -46.1 32.5 9.7 -9.9 132 132 A N H >< S+ 0 0 34 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.904 107.9 54.3 -61.7 -43.5 29.4 11.1 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.7 6,-0.4 1,-0.3 -1,-0.2 0.846 102.4 59.5 -62.4 -29.7 31.1 11.4 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.9 -3,-0.3 -1,-0.3 0.689 84.1 80.5 -71.5 -18.7 33.8 13.5 -6.5 135 135 A K S << S+ 0 0 163 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 -0.559 81.5 99.3 -86.3 71.3 31.4 16.2 -7.8 136 136 A S S > S- 0 0 17 -2,-1.9 4,-1.7 1,-0.1 5,-0.2 -0.999 83.8-119.8-156.2 155.6 31.3 17.8 -4.4 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.881 112.7 64.6 -63.1 -36.9 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 8,-0.3 0.937 106.1 41.0 -50.9 -51.8 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 69 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.0 51.0 -69.0 -32.2 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.832 116.8 39.2 -76.0 -28.5 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 106 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.889 134.0 19.2 -88.6 -35.7 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 25 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 -0.616 73.5 160.9-132.1 70.4 39.9 18.1 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.833 68.8 53.8 -63.1 -38.7 40.9 16.2 -2.2 144 144 A N H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.950 115.5 39.5 -66.0 -43.8 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.958 115.5 52.5 -68.0 -48.3 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 -8,-0.3 5,-0.2 0.905 108.2 52.8 -54.0 -40.1 38.3 12.5 -0.3 147 147 A K H X S+ 0 0 90 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.913 108.3 49.9 -62.6 -42.2 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 58 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.941 115.1 42.6 -63.0 -45.4 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.914 114.4 50.8 -67.9 -41.6 37.8 7.5 1.0 150 150 A I H X S+ 0 0 11 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.911 108.7 51.3 -62.8 -39.7 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 33 -4,-2.6 4,-2.2 -5,-0.2 6,-0.4 0.827 107.0 56.0 -64.7 -30.8 39.0 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.935 109.1 43.9 -67.7 -45.4 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 114.8 53.0 -66.5 -33.4 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.920 123.5 21.2 -68.0 -43.7 35.4 1.9 -5.2 155 155 A T H < S- 0 0 50 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.592 85.5-134.4-102.1 -17.2 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 1,-0.3 -62,-0.2 0.723 74.0 102.3 68.0 19.5 36.5 -2.5 -1.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.808 80.8-118.9-127.9 173.5 40.2 -2.8 -0.1 158 158 A W S >> S+ 0 0 48 -2,-0.3 3,-2.3 1,-0.2 4,-1.0 0.179 71.9 121.5 -95.3 14.3 42.6 -0.8 2.1 159 159 A D G >4 + 0 0 106 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.835 68.0 57.5 -48.0 -37.9 44.9 0.0 -0.8 160 160 A A G 34 S+ 0 0 27 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.630 111.3 42.7 -68.8 -15.6 44.6 3.8 -0.4 161 161 A Y G X4 S+ 0 0 5 -3,-2.3 3,-0.7 -13,-0.1 -1,-0.2 0.487 92.0 105.0-107.5 -7.8 45.7 3.6 3.2 162 162 A K T << S+ 0 0 147 -4,-1.0 -3,-0.0 -3,-0.6 0, 0.0 -0.515 80.0 24.9 -76.1 138.6 48.5 1.1 2.5 163 163 A N T 3 0 0 153 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.806 360.0 360.0 75.9 33.7 52.0 2.6 2.5 164 164 A L < 0 0 149 -3,-0.7 -1,-0.1 0, 0.0 -2,-0.0 -0.402 360.0 360.0-123.3 360.0 51.2 5.5 4.8