==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-08 3CDR . 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) . 8743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 75.0 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 . 15 9.1 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 63 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 143.2 43.4 -1.9 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.7 1,-0.0 3,-0.2 -0.854 360.0 -86.8-139.3 174.5 40.3 -0.8 11.0 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.822 123.0 52.8 -53.1 -38.0 38.2 2.4 11.4 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 112.4 43.0 -67.5 -44.6 40.4 3.7 14.2 5 5 A E H > S+ 0 0 95 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 113.9 53.5 -65.7 -43.7 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.950 113.7 39.9 -55.6 -54.9 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.826 110.2 59.7 -68.3 -28.4 40.7 7.9 10.9 8 8 A R H X S+ 0 0 110 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.906 108.1 46.7 -65.5 -37.4 43.9 8.3 12.9 9 9 A I H < S+ 0 0 55 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.950 116.5 42.9 -68.1 -46.5 45.7 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 0.773 125.5 32.2 -71.2 -28.2 43.1 11.1 8.1 11 11 A E H < S- 0 0 44 -4,-2.5 19,-0.3 -5,-0.2 -1,-0.2 0.700 90.4-154.7-102.1 -25.8 42.8 13.2 11.2 12 12 A G < - 0 0 23 -4,-2.0 2,-0.3 -5,-0.4 -1,-0.1 -0.243 25.1 -89.5 74.5-170.0 46.2 13.1 12.8 13 13 A L + 0 0 53 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.952 41.3 172.2-144.8 122.3 46.6 13.7 16.6 14 14 A R E -A 28 0A 133 14,-1.6 14,-2.1 -2,-0.3 4,-0.1 -0.999 20.0-161.7-132.7 131.9 47.3 17.0 18.3 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.560 75.4 66.2 -89.5 -7.0 47.3 17.5 22.1 16 16 A K E S-C 57 0B 49 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.855 100.3 -88.4-113.4 149.7 46.8 21.3 21.9 17 17 A I E + 0 0 32 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.256 57.9 170.0 -56.0 131.4 43.8 23.2 20.6 18 18 A Y E -A 26 0A 24 8,-2.9 8,-3.1 -4,-0.1 2,-0.5 -0.866 35.9-105.2-137.6 172.3 44.2 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 -0.874 34.0-137.7-102.6 132.0 42.2 25.0 13.9 20 20 A D > - 0 0 48 4,-2.6 3,-2.4 -2,-0.5 -1,-0.0 -0.100 42.0 -79.3 -77.4-177.1 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.765 135.4 49.4 -56.0 -24.2 40.9 22.8 7.7 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.469 122.4-105.1 -94.1 -1.5 37.8 24.9 8.0 23 23 A G S < S+ 0 0 31 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.510 74.5 139.5 91.0 8.4 39.3 27.2 10.7 24 24 A Y - 0 0 76 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.686 61.5-102.3 -89.1 140.9 37.3 25.6 13.6 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-3.1 11,-0.4 9,-1.4 -0.345 55.2 158.0 -61.8 129.6 38.7 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.9 6,-0.3 2,-0.3 -0.892 18.2-170.0-145.8 165.9 39.5 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.980 50.7 7.9-156.0 167.0 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.6 -2,-0.3 2,-1.0 -0.381 124.0 -4.9 65.4-130.4 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 -0.613 128.3 -54.6-101.4 73.1 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.775 83.8 163.4 66.4 29.6 39.8 15.5 14.8 31 31 A H E < -B 27 0A 30 -4,-2.2 -4,-1.7 -20,-0.1 -1,-0.2 -0.680 31.6-141.7 -85.0 104.3 37.5 16.3 17.8 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.364 20.2-177.4 -63.8 128.0 35.6 19.5 16.9 33 33 A L E - 0 0 13 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.880 59.2 -27.3 -94.3 -45.3 35.2 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 -0.975 34.5-136.9-167.4 155.2 33.1 24.6 18.4 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.587 75.8 110.0 -93.4 -10.6 32.4 26.5 15.3 36 36 A S S S- 0 0 48 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.316 72.9-133.1 -67.0 141.1 32.6 29.8 17.2 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.519 75.8 105.7 -74.1 -3.2 35.6 32.1 16.6 38 38 A S > - 0 0 52 1,-0.2 4,-1.9 2,-0.0 3,-0.2 -0.694 55.7-161.4 -85.9 116.6 36.2 32.5 20.3 39 39 A L H > S+ 0 0 65 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.789 95.5 56.2 -63.7 -25.6 39.2 30.7 21.7 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 103.1 52.4 -74.5 -35.9 37.7 31.1 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.6 50.2 -61.6 -41.6 34.5 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.882 108.6 50.3 -64.3 -41.7 36.7 26.5 22.7 43 43 A K H X S+ 0 0 57 -4,-2.0 4,-2.4 2,-0.2 11,-0.2 0.904 110.9 50.0 -66.0 -38.3 38.6 26.2 26.0 44 44 A S H X S+ 0 0 71 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 110.4 49.4 -64.3 -44.0 35.3 26.1 27.9 45 45 A E H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.885 110.7 52.2 -60.9 -39.7 34.0 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.946 108.8 47.8 -62.4 -50.4 37.2 21.4 26.1 47 47 A D H X>S+ 0 0 36 -4,-2.4 4,-3.0 1,-0.2 5,-1.1 0.916 112.6 50.3 -57.0 -44.0 37.1 21.6 29.9 48 48 A K H <5S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.888 111.1 48.5 -61.9 -41.1 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 120.7 35.5 -68.4 -38.0 34.3 17.5 27.4 50 50 A I H <5S- 0 0 38 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.755 102.2-124.9 -88.5 -32.3 37.2 16.3 29.6 51 51 A G T <5S+ 0 0 67 -4,-3.0 2,-0.3 1,-0.4 -3,-0.2 0.755 77.9 69.2 91.2 24.8 35.9 17.1 33.0 52 52 A R S - 0 0 9 -2,-0.8 3,-1.4 -11,-0.2 -1,-0.2 0.693 30.6-147.3 -96.7 -27.0 42.7 21.7 30.7 55 55 A N T 3 S- 0 0 127 1,-0.3 3,-0.1 -12,-0.1 -12,-0.1 0.690 76.2 -50.0 56.5 29.7 43.8 25.2 29.7 56 56 A G T 3 S+ 0 0 10 1,-0.2 -39,-1.7 -13,-0.2 2,-0.4 0.456 119.8 92.5 96.7 1.5 43.9 24.1 26.1 57 57 A V B < -C 16 0B 79 -3,-1.4 2,-0.3 -41,-0.2 -1,-0.2 -0.975 44.9-178.8-134.6 146.3 45.9 20.9 26.4 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.839 26.9-105.9-131.8 170.8 45.1 17.3 26.9 59 59 A T > - 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.524 32.5-110.2 -93.5 165.3 46.9 14.0 27.3 60 60 A K H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.879 120.6 53.6 -60.9 -39.1 47.1 11.2 24.7 61 61 A D H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 108.6 48.5 -62.8 -42.5 44.8 9.1 26.9 62 62 A E H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 109.6 52.5 -64.4 -41.9 42.3 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.896 109.7 50.4 -58.9 -42.1 42.5 12.2 23.1 64 64 A E H X S+ 0 0 76 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.858 107.3 52.6 -67.0 -34.1 41.9 8.5 22.8 65 65 A K H X S+ 0 0 137 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.921 110.3 47.1 -66.7 -45.3 38.9 8.6 25.0 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.913 110.7 54.8 -61.3 -41.2 37.3 11.4 23.0 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.923 107.2 47.9 -59.8 -45.4 38.1 9.4 19.9 68 68 A N H X S+ 0 0 94 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.929 113.3 48.9 -62.1 -43.3 36.3 6.3 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.905 111.0 51.4 -61.7 -42.2 33.3 8.4 22.0 70 70 A D H X S+ 0 0 32 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.883 110.4 46.4 -63.6 -40.3 33.4 10.1 18.6 71 71 A V H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.941 112.1 50.7 -69.6 -44.2 33.5 6.8 16.6 72 72 A D H X S+ 0 0 106 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.943 111.0 50.8 -57.3 -46.1 30.7 5.3 18.7 73 73 A A H X S+ 0 0 52 -4,-2.4 4,-3.3 -5,-0.2 -1,-0.2 0.929 109.4 48.4 -57.8 -49.4 28.7 8.5 18.1 74 74 A A H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.931 114.3 46.9 -57.8 -45.2 29.3 8.4 14.3 75 75 A V H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.950 114.4 46.3 -63.5 -46.8 28.3 4.7 14.1 76 76 A R H X S+ 0 0 43 -4,-3.2 4,-1.3 -5,-0.3 -1,-0.2 0.906 109.4 54.7 -63.6 -38.3 25.3 5.3 16.3 77 77 A G H X S+ 0 0 1 -4,-3.3 4,-0.9 -5,-0.2 3,-0.4 0.911 108.8 49.1 -60.5 -42.2 24.3 8.3 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 7,-0.4 0.910 109.6 51.4 -63.1 -44.0 24.4 6.2 11.1 79 79 A L H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.694 110.8 48.3 -68.5 -19.3 22.3 3.5 12.6 80 80 A R H 3< S+ 0 0 179 -4,-1.3 2,-0.5 -3,-0.4 -1,-0.2 0.568 93.2 93.1 -93.3 -15.5 19.6 6.0 13.7 81 81 A N S+ 0 0 128 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.818 121.3 40.5 -83.7 -33.2 18.8 7.4 4.8 84 84 A L H >> S+ 0 0 0 2,-0.1 4,-2.3 -7,-0.1 3,-0.7 0.905 100.9 65.4 -83.9 -44.0 22.0 6.1 6.1 85 85 A K H 3X S+ 0 0 90 -4,-3.4 4,-2.7 -7,-0.4 5,-0.2 0.875 99.5 52.9 -48.7 -47.4 21.2 2.9 7.9 86 86 A P H 3> S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.880 112.1 45.6 -59.5 -37.5 20.1 1.1 4.7 87 87 A V H XX S+ 0 0 2 -3,-0.7 4,-1.0 -4,-0.5 3,-0.6 0.970 112.4 48.6 -70.6 -50.5 23.3 1.9 2.9 88 88 A Y H >< S+ 0 0 37 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.891 110.8 52.6 -54.3 -43.9 25.6 1.0 5.8 89 89 A D H 3< S+ 0 0 85 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.813 107.5 52.5 -64.1 -30.2 23.7 -2.3 6.2 90 90 A S H << S+ 0 0 41 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.613 95.8 89.9 -80.7 -15.3 24.2 -3.1 2.5 91 91 A L S << S- 0 0 12 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.513 75.9-115.4 -86.8 156.4 28.0 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.346 44.8 -92.9 -77.0 164.5 30.9 -5.0 3.2 93 93 A A H > S+ 0 0 74 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.781 123.2 47.8 -51.3 -36.7 33.1 -4.3 6.3 94 94 A V H >> S+ 0 0 28 2,-0.2 4,-1.1 1,-0.2 3,-0.9 0.956 112.1 47.1 -73.3 -48.3 35.7 -2.3 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.834 102.7 64.6 -64.5 -29.4 33.3 -0.0 2.6 96 96 A Q H 3X S+ 0 0 41 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.875 98.6 56.1 -59.4 -35.4 31.4 0.6 5.9 97 97 A C H S+ 0 0 54 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.857 127.9 56.0 -64.4 -35.0 25.2 12.6 9.4 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.934 109.0 45.5 -63.5 -48.4 23.3 15.5 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-1.5 1,-0.2 4,-0.2 0.967 116.0 45.8 -60.3 -53.3 26.0 16.4 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.7 1,-0.3 -2,-0.2 0.916 103.2 61.5 -57.8 -46.0 26.4 12.8 4.5 112 112 A A H 3< S+ 0 0 16 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.734 95.6 67.7 -54.8 -18.2 22.7 12.1 4.2 113 113 A G T << S+ 0 0 56 -3,-1.5 2,-0.9 -4,-0.7 3,-0.3 0.586 74.0 83.3 -77.9 -14.0 22.8 14.9 1.6 114 114 A F X> + 0 0 38 -3,-2.7 4,-2.6 -4,-0.2 3,-0.5 -0.170 58.3 156.4 -82.8 43.2 24.8 12.8 -0.9 115 115 A T H 3> + 0 0 69 -2,-0.9 4,-1.9 1,-0.3 -1,-0.2 0.809 66.2 45.0 -36.2 -54.5 21.5 11.3 -2.0 116 116 A N H 3> S+ 0 0 105 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.904 113.5 49.5 -65.2 -41.4 22.6 10.3 -5.5 117 117 A S H <> S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.903 108.8 53.9 -63.3 -42.1 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.910 107.4 49.9 -59.8 -44.2 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 153 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.917 110.8 50.0 -60.6 -44.3 21.7 5.2 -4.0 120 120 A M H <>S+ 0 0 40 -4,-2.0 5,-2.6 2,-0.2 4,-0.2 0.881 111.5 48.4 -63.5 -37.5 24.7 4.2 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.936 109.0 53.1 -68.1 -42.5 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.875 110.6 48.2 -57.5 -36.7 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 121 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.453 112.6-122.1 -84.3 -0.3 23.3 -0.5 -5.9 124 124 A K T < 5 + 0 0 103 -3,-1.9 2,-1.3 -4,-0.2 -3,-0.2 0.789 61.6 147.1 62.3 32.6 26.9 -1.5 -5.7 125 125 A R >< + 0 0 102 -5,-2.6 4,-2.9 1,-0.2 5,-0.2 -0.660 19.9 172.6 -97.7 75.0 27.8 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.863 68.7 45.6 -55.5 -49.2 31.2 1.5 -7.5 127 127 A D H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 116.4 47.2 -65.4 -42.9 32.8 3.4 -10.4 128 128 A E H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.927 111.7 49.4 -63.6 -45.4 29.6 5.5 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.928 107.3 57.1 -58.4 -44.8 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.907 107.9 45.9 -54.2 -46.6 33.1 7.3 -7.2 131 131 A V H X S+ 0 0 90 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.905 113.7 49.1 -64.9 -41.4 32.6 9.9 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.912 107.7 53.6 -66.5 -40.3 29.5 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.850 103.3 59.2 -60.9 -34.1 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 29 -4,-1.4 2,-1.7 -5,-0.2 -1,-0.2 0.683 86.0 78.8 -69.2 -21.6 34.0 13.6 -6.5 135 135 A K S << S+ 0 0 159 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.523 81.4 98.2 -86.9 69.0 31.5 16.2 -7.7 136 136 A S S > S- 0 0 19 -2,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.987 84.3-117.9-153.4 158.2 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.909 114.1 64.2 -63.4 -40.9 32.7 20.7 -2.3 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.920 104.7 43.7 -46.2 -52.6 34.1 18.0 0.0 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.1 48.8 -62.4 -44.7 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.839 116.1 42.9 -68.5 -30.8 37.5 20.1 -3.8 141 141 A Q H < S+ 0 0 104 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 131.5 18.8 -82.9 -42.4 38.3 21.2 -0.3 142 142 A T S X S+ 0 0 24 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 -0.595 74.3 163.2-129.1 70.0 40.1 18.1 1.1 143 143 A P H > + 0 0 46 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.862 68.6 51.9 -58.5 -44.8 41.1 16.3 -2.1 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.927 115.7 40.9 -64.8 -41.6 43.7 13.9 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 114.3 51.8 -70.7 -43.7 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.929 107.8 54.3 -58.8 -40.9 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 98 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.902 108.2 48.9 -58.4 -40.6 40.5 10.5 -2.8 148 148 A R H X S+ 0 0 56 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.929 114.7 43.9 -64.9 -45.5 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.930 114.1 49.9 -66.6 -45.6 37.8 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.896 109.3 51.2 -60.1 -42.7 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.5 4,-2.8 -5,-0.3 6,-0.3 0.882 107.9 54.4 -62.0 -37.4 39.1 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.931 109.5 45.8 -63.4 -44.3 38.1 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 114.8 49.6 -64.9 -38.8 34.4 2.8 -1.7 154 154 A R H < S+ 0 0 95 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.1 25.2 -67.0 -44.5 35.5 1.9 -5.3 155 155 A T H < S- 0 0 45 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.666 84.1-135.5 -97.5 -24.4 37.7 -1.0 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.715 74.3 104.4 70.7 18.9 36.5 -2.5 -1.2 157 157 A T S S- 0 0 46 -6,-0.3 3,-0.3 -5,-0.3 -1,-0.3 -0.815 78.5-123.7-126.3 169.8 40.2 -2.7 -0.2 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.6 1,-0.2 4,-0.7 0.234 71.1 119.2 -95.8 10.3 42.7 -0.7 2.0 159 159 A D G >4 + 0 0 109 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.807 68.4 59.3 -46.0 -39.9 45.1 0.1 -0.8 160 160 A A G 34 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.643 110.8 41.9 -68.1 -16.2 44.7 3.8 -0.4 161 161 A Y G X4 S+ 0 0 4 -3,-2.6 3,-0.9 -13,-0.1 2,-0.4 0.416 91.5 104.5-109.8 -0.6 45.8 3.6 3.2 162 162 A K T << S+ 0 0 118 -3,-0.9 -3,-0.0 -4,-0.7 0, 0.0 -0.697 84.3 20.3 -86.5 130.6 48.7 1.2 2.6 163 163 A N T 3 0 0 173 -2,-0.4 -1,-0.2 0, 0.0 -4,-0.0 0.645 360.0 360.0 85.4 22.3 52.1 2.7 2.6 164 164 A L < 0 0 138 -3,-0.9 -2,-0.1 0, 0.0 -3,-0.1 0.835 360.0 360.0-101.6 360.0 51.0 5.8 4.6