==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-DEC-06 2O4W . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.LLINAS,S.M.CROWDER,N.ECHOLS,T.ALBER,S.MARQUSEE . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 8 4.9 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 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 2 1 0 2 1 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 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 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 13 A L 0 0 127 0, 0.0 2,-1.0 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 -65.4 36.5 35.2 -2.0 2 14 A R + 0 0 145 14,-0.3 14,-1.9 1,-0.1 4,-0.1 -0.737 360.0 169.3 -93.8 99.2 38.8 32.2 -2.4 3 15 A L + 0 0 56 -2,-1.0 43,-2.6 12,-0.2 2,-0.3 0.350 58.3 65.6 -95.2 4.1 38.8 31.4 -6.1 4 16 A K B S-A 45 0A 50 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.929 102.4 -79.1-121.9 154.6 41.7 29.0 -6.0 5 17 A I + 0 0 33 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.212 57.7 166.2 -54.5 129.8 41.9 25.6 -4.3 6 18 A Y E -B 14 0B 25 8,-3.0 8,-3.2 -4,-0.1 2,-0.4 -0.797 36.2-104.9-131.4 173.3 42.5 25.9 -0.5 7 19 A K E -B 13 0B 121 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.883 31.1-135.6-103.4 143.4 42.2 23.5 2.4 8 20 A D > - 0 0 50 4,-2.3 3,-2.0 -2,-0.4 -1,-0.1 -0.043 42.9 -77.7 -84.4-172.3 39.4 23.7 4.9 9 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.727 134.3 50.9 -65.1 -20.8 39.6 23.5 8.7 10 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.414 122.9-104.7 -92.7 1.6 39.9 19.7 8.4 11 23 A G S < S+ 0 0 41 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.593 74.7 141.8 87.5 13.7 42.8 20.0 5.8 12 24 A Y - 0 0 76 1,-0.1 -4,-2.3 9,-0.0 -1,-0.3 -0.733 60.4-100.0 -98.0 138.1 40.5 19.0 2.9 13 25 A Y E +B 7 0B 36 9,-0.4 8,-2.7 11,-0.4 9,-1.3 -0.312 55.0 161.8 -61.2 131.2 40.7 20.5 -0.6 14 26 A T E -BC 6 20B 3 -8,-3.2 -8,-3.0 6,-0.3 2,-0.3 -0.900 20.5-164.7-148.5 156.7 38.0 23.1 -1.0 15 27 A I E > - C 0 19B 0 4,-1.8 4,-2.4 -2,-0.3 -12,-0.2 -0.974 53.0 -4.3-147.8 158.4 37.2 26.0 -3.3 16 28 A G T 4 S- 0 0 4 -14,-1.9 2,-1.5 -2,-0.3 -14,-0.3 -0.253 123.1 -1.8 67.5-139.3 34.9 29.0 -3.3 17 29 A I T 4 S- 0 0 17 34,-0.4 -1,-0.2 1,-0.2 146,-0.1 -0.596 129.8 -53.8 -88.2 75.6 32.4 29.4 -0.5 18 30 A G T 4 S+ 0 0 15 -2,-1.5 2,-1.0 145,-0.4 -1,-0.2 0.834 82.4 163.9 58.6 37.5 33.2 26.2 1.4 19 31 A H E < -C 15 0B 30 -4,-2.4 -4,-1.8 2,-0.0 2,-0.3 -0.760 29.7-146.5 -87.0 102.0 32.8 23.8 -1.6 20 32 A L E -C 14 0B 75 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.533 18.4-177.5 -69.5 126.7 34.5 20.6 -0.5 21 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.868 58.4 -27.4 -93.4 -44.6 36.1 18.9 -3.5 22 34 A T - 0 0 31 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.980 34.7-135.2-165.1 156.3 37.5 15.8 -2.0 23 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.495 75.2 112.1 -92.1 -6.4 38.9 14.2 1.1 24 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.374 72.0-134.9 -64.8 139.3 41.8 12.7 -0.9 25 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.492 76.6 106.0 -72.4 2.0 45.2 14.1 -0.2 26 38 A S > - 0 0 49 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.728 56.1-162.4 -87.6 117.2 45.9 14.3 -3.9 27 39 A L H > S+ 0 0 64 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.865 96.5 54.5 -62.7 -34.5 45.7 17.9 -5.3 28 40 A N H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 105.3 52.2 -62.9 -41.7 45.3 16.3 -8.8 29 41 A A H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.929 111.4 47.7 -57.4 -47.1 42.3 14.4 -7.5 30 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.886 110.3 51.5 -60.2 -42.4 40.9 17.7 -6.2 31 43 A K H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 11,-0.2 0.893 108.5 51.6 -63.1 -40.7 41.6 19.4 -9.5 32 44 A S H X S+ 0 0 71 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.899 110.0 49.1 -61.4 -40.2 39.7 16.6 -11.4 33 45 A E H X S+ 0 0 67 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.942 111.0 51.5 -64.2 -44.0 36.7 17.1 -9.1 34 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.925 109.0 48.1 -56.3 -53.5 36.8 20.8 -9.7 35 47 A D H X>S+ 0 0 39 -4,-2.5 4,-2.6 1,-0.2 5,-1.0 0.873 112.5 49.9 -55.6 -40.5 36.9 20.5 -13.5 36 48 A K H <5S+ 0 0 138 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.900 112.8 47.5 -67.3 -38.4 33.9 18.0 -13.3 37 49 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.848 121.2 35.7 -69.3 -37.1 31.9 20.4 -11.1 38 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.778 103.3-125.4 -92.2 -31.0 32.6 23.4 -13.3 39 51 A G T <5S+ 0 0 69 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.745 76.9 65.5 89.8 26.5 32.5 21.8 -16.7 40 52 A R S - 0 0 8 -2,-1.0 3,-1.3 -11,-0.2 -1,-0.2 0.683 33.4-144.7 -95.2 -24.1 40.0 25.1 -14.6 43 55 A N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.800 74.0 -52.5 55.4 34.7 43.5 24.2 -13.5 44 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.462 119.8 97.7 88.9 2.8 42.5 24.9 -9.9 45 57 A V B < -A 4 0A 80 -3,-1.3 2,-0.2 -41,-0.2 -41,-0.2 -0.987 46.2-178.4-130.1 132.4 41.1 28.4 -10.4 46 58 A I - 0 0 7 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.755 26.3-107.6-122.3 170.8 37.4 29.5 -10.9 47 59 A T > - 0 0 66 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.508 30.8-112.1 -90.7 163.9 35.5 32.7 -11.5 48 60 A K H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.904 121.2 52.7 -58.2 -48.9 33.3 34.6 -9.0 49 61 A D H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 110.3 49.1 -51.6 -47.5 30.2 33.7 -11.1 50 62 A E H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.899 109.5 51.1 -60.3 -43.4 31.4 30.0 -10.9 51 63 A A H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -34,-0.4 0.896 111.1 48.2 -61.4 -39.5 31.9 30.1 -7.2 52 64 A E H X S+ 0 0 58 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.861 108.7 54.4 -74.1 -34.4 28.4 31.6 -6.7 53 65 A K H X S+ 0 0 66 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.940 110.0 45.3 -59.2 -52.4 26.9 28.9 -8.9 54 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.897 111.6 54.4 -60.6 -40.9 28.5 26.1 -6.9 55 67 A F H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.960 107.3 48.9 -58.2 -51.5 27.3 27.9 -3.7 56 68 A N H X S+ 0 0 78 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.896 114.0 47.2 -53.7 -40.1 23.7 28.0 -4.8 57 69 A Q H X S+ 0 0 109 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.874 110.9 51.7 -69.8 -37.2 23.9 24.3 -5.7 58 70 A D H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.863 109.8 48.1 -71.1 -36.3 25.5 23.5 -2.4 59 71 A V H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.951 111.6 50.2 -66.6 -48.0 22.8 25.3 -0.4 60 72 A D H X S+ 0 0 71 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.939 110.2 51.9 -51.4 -50.4 20.1 23.6 -2.4 61 73 A A H X S+ 0 0 57 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.848 106.7 51.8 -55.9 -42.6 21.8 20.2 -1.7 62 74 A A H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.939 111.3 47.8 -63.0 -44.6 21.9 20.9 2.0 63 75 A V H X S+ 0 0 20 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.962 112.7 49.1 -60.3 -44.7 18.2 21.6 2.0 64 76 A R H X S+ 0 0 135 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.884 106.6 55.8 -63.4 -39.1 17.6 18.5 -0.0 65 77 A G H X S+ 0 0 8 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.904 110.3 46.2 -54.5 -46.0 19.7 16.4 2.4 66 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 7,-0.5 0.931 112.7 48.5 -61.4 -49.8 17.5 17.5 5.3 67 79 A L H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 113.8 46.7 -68.5 -26.5 14.2 16.9 3.4 68 80 A R H 3< S+ 0 0 84 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.555 96.2 91.3 -87.1 -12.3 15.3 13.4 2.3 69 81 A N S+ 0 0 0 -6,-0.2 4,-2.9 -7,-0.2 3,-0.3 0.846 103.1 66.3 -86.3 -37.6 16.3 15.8 10.1 73 85 A K H X S+ 0 0 86 -4,-2.8 4,-3.1 -7,-0.5 5,-0.2 0.905 99.8 48.5 -53.2 -52.1 13.1 16.4 8.2 74 86 A P H > S+ 0 0 52 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.857 114.5 47.8 -64.5 -25.9 10.7 16.3 11.3 75 87 A V H >> S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.3 3,-0.5 0.951 113.0 47.5 -71.8 -49.6 13.1 18.7 13.2 76 88 A Y H >< S+ 0 0 32 -4,-2.9 3,-1.2 1,-0.2 -3,-0.2 0.937 110.0 53.1 -54.1 -50.6 13.3 21.1 10.2 77 89 A D H 3< S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 107.9 52.1 -56.2 -30.7 9.5 21.0 9.8 78 90 A S H << S+ 0 0 35 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.635 96.4 87.7 -81.8 -17.6 9.1 22.0 13.4 79 91 A L S << S- 0 0 5 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.505 76.9-118.1 -88.1 150.0 11.4 25.0 13.3 80 92 A D > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.306 44.5 -93.0 -71.4 165.9 10.7 28.7 12.4 81 93 A A H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.842 123.6 50.0 -59.1 -38.4 12.5 30.1 9.4 82 94 A V H > S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.947 113.3 45.9 -69.3 -43.5 15.5 31.6 11.3 83 95 A R H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.861 106.2 60.5 -65.8 -32.2 16.2 28.3 13.1 84 96 A R H X S+ 0 0 77 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.895 101.3 54.9 -58.9 -40.1 15.8 26.3 9.8 85 97 A A H X S+ 0 0 5 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.888 103.3 54.7 -61.8 -39.7 18.8 28.4 8.5 86 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.913 109.9 47.7 -58.0 -40.5 20.8 27.2 11.6 87 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.892 111.5 48.4 -68.9 -38.8 20.1 23.6 10.6 88 100 A I H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.901 108.2 56.7 -65.9 -38.7 20.9 24.1 6.9 89 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.958 107.8 47.4 -57.8 -48.6 24.2 25.8 8.1 90 102 A M H X S+ 0 0 3 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.906 112.4 48.2 -58.5 -44.3 25.1 22.6 10.1 91 103 A V H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.884 109.0 54.3 -65.5 -40.3 24.3 20.3 7.2 92 104 A F H < S+ 0 0 28 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.920 116.3 38.7 -55.9 -44.5 26.3 22.5 4.8 93 105 A Q H < S+ 0 0 49 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 134.5 16.5 -75.1 -44.3 29.3 22.3 7.1 94 106 A M H < S- 0 0 58 -4,-3.0 4,-0.5 -5,-0.2 -3,-0.2 0.517 102.6-114.7-115.2 -10.8 29.2 18.6 8.2 95 107 A G X - 0 0 31 -4,-2.5 4,-2.2 -5,-0.4 5,-0.2 0.099 35.2 -77.3 87.1 162.4 26.8 16.8 5.8 96 108 A E H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.914 128.5 49.0 -63.6 -44.7 23.5 15.2 6.4 97 109 A T H > S+ 0 0 118 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.914 111.1 51.5 -62.7 -43.3 24.8 12.0 8.0 98 110 A G H 4 S+ 0 0 36 -4,-0.5 3,-0.5 1,-0.2 -1,-0.2 0.924 114.3 41.6 -56.9 -51.1 26.9 14.0 10.4 99 111 A V H >< S+ 0 0 0 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.893 107.4 61.2 -67.3 -39.8 24.1 16.3 11.5 100 112 A A H 3< S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 93.9 68.6 -58.8 -23.2 21.7 13.3 11.7 101 113 A G T 3< S+ 0 0 54 -4,-1.1 2,-0.9 -3,-0.5 -1,-0.3 0.539 74.3 84.9 -69.3 -11.1 24.1 12.0 14.3 102 114 A F <> + 0 0 34 -3,-2.5 4,-2.8 1,-0.2 5,-0.3 -0.264 55.2 155.2 -87.0 50.2 23.1 14.8 16.8 103 115 A T H > + 0 0 65 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.829 68.6 43.3 -46.7 -49.2 20.2 12.7 18.0 104 116 A N H > S+ 0 0 81 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.904 115.1 48.2 -71.3 -39.8 19.8 14.2 21.4 105 117 A S H > S+ 0 0 3 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.884 110.2 53.2 -64.8 -40.0 20.3 17.8 20.3 106 118 A L H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.857 108.0 50.9 -63.9 -38.6 17.7 17.3 17.5 107 119 A R H X S+ 0 0 114 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.921 109.9 48.6 -64.7 -43.2 15.2 16.0 20.0 108 120 A M H <>S+ 0 0 27 -4,-1.9 5,-2.6 1,-0.2 4,-0.3 0.870 111.7 51.1 -67.1 -34.1 15.7 19.0 22.3 109 121 A L H ><5S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.918 108.1 50.3 -69.5 -45.6 15.3 21.3 19.3 110 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.828 111.4 50.0 -59.0 -33.3 12.0 19.5 18.2 111 123 A Q T 3<5S- 0 0 98 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.487 112.7-123.4 -80.9 -5.1 10.8 20.0 21.9 112 124 A K T < 5 + 0 0 98 -3,-1.3 2,-1.3 -4,-0.3 -3,-0.2 0.793 61.1 147.8 58.8 34.9 11.8 23.7 21.7 113 125 A R >< + 0 0 123 -5,-2.6 4,-2.8 1,-0.2 5,-0.2 -0.690 20.5 173.3 -90.8 78.4 14.0 23.4 24.7 114 126 A W H > + 0 0 51 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.869 68.3 45.6 -68.2 -38.0 16.3 26.1 23.3 115 127 A D H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 116.5 46.1 -71.7 -40.8 18.7 26.6 26.2 116 128 A E H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 112.2 51.4 -68.3 -41.1 19.1 22.9 26.8 117 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 -9,-0.2 -2,-0.2 0.905 108.9 52.3 -57.1 -43.5 19.6 22.3 23.0 118 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.920 111.0 45.9 -63.1 -43.8 22.3 25.0 23.1 119 131 A V H X S+ 0 0 84 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.923 115.0 47.6 -64.0 -41.6 24.2 23.3 25.9 120 132 A N H >< S+ 0 0 41 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.880 107.3 55.1 -69.6 -38.1 23.9 19.9 24.3 121 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.827 102.5 58.2 -64.0 -32.7 25.0 21.1 20.9 122 134 A A H 3< S+ 0 0 28 -4,-1.4 2,-1.7 1,-0.2 -1,-0.2 0.616 85.6 79.6 -74.3 -16.4 28.2 22.5 22.4 123 135 A K S << S+ 0 0 164 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.602 83.0 102.4 -89.6 69.8 29.3 19.1 23.8 124 136 A S S > S- 0 0 16 -2,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.993 84.9-120.2-152.5 149.7 30.5 18.1 20.4 125 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.929 115.8 61.4 -53.6 -44.8 33.6 17.7 18.2 126 138 A W H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.920 106.9 41.5 -46.4 -54.3 32.0 20.4 16.0 127 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.902 114.9 50.2 -67.0 -42.5 32.0 23.0 18.8 128 140 A N H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 118.3 38.7 -68.6 -28.0 35.5 22.1 20.0 129 141 A Q H < S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.819 133.6 21.6 -92.7 -35.3 37.0 22.3 16.5 130 142 A T S X S+ 0 0 19 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 -0.546 74.5 157.8-127.5 69.9 35.0 25.3 15.1 131 143 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.832 70.3 50.9 -69.3 -34.3 33.9 27.1 18.3 132 144 A N H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.941 117.4 39.3 -69.6 -44.2 33.3 30.6 16.8 133 145 A R H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 116.5 50.2 -65.4 -49.4 31.1 29.3 14.0 134 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -8,-0.2 -2,-0.2 0.882 108.8 53.9 -56.4 -42.2 29.4 26.8 16.2 135 147 A K H X S+ 0 0 100 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.903 108.6 49.2 -61.7 -40.2 28.7 29.5 18.7 136 148 A R H X S+ 0 0 69 -4,-1.9 4,-1.6 2,-0.2 12,-0.2 0.938 114.0 44.5 -63.1 -47.0 27.1 31.7 16.0 137 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.924 113.8 50.4 -62.7 -44.9 24.9 28.8 14.8 138 150 A I H X S+ 0 0 14 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.907 107.6 52.4 -62.7 -43.6 24.0 27.8 18.4 139 151 A T H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 6,-0.4 0.868 107.6 54.3 -57.2 -36.3 23.0 31.4 19.3 140 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.967 112.2 42.8 -65.1 -47.4 20.7 31.2 16.2 141 153 A F H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 115.8 49.6 -61.7 -40.7 19.1 28.1 17.6 142 154 A R H < S+ 0 0 104 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.921 126.5 21.4 -66.6 -42.8 18.9 29.5 21.1 143 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.633 87.3-132.8-103.1 -20.4 17.3 32.9 20.2 144 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.759 74.1 107.7 63.0 25.5 15.7 32.3 16.8 145 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.3 -0.828 79.1-125.4-123.0 167.6 17.3 35.6 15.8 146 158 A W S > S+ 0 0 62 -2,-0.3 3,-1.9 1,-0.2 4,-0.5 0.075 71.0 122.6 -94.9 20.3 20.2 36.6 13.5 147 159 A D G > + 0 0 113 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.822 65.3 59.2 -54.1 -38.5 21.8 38.5 16.4 148 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.650 107.1 48.4 -69.2 -15.0 25.1 36.6 16.2 149 161 A Y G < S+ 0 0 13 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.444 82.6 106.9-103.3 -3.9 25.6 37.7 12.6 150 162 A K < 0 0 89 -3,-1.2 -2,-0.1 -4,-0.5 -1,-0.1 0.854 360.0 360.0 -37.4 -66.2 24.8 41.5 13.4 151 163 A N 0 0 146 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.162 360.0 360.0 -78.6 360.0 28.3 43.0 13.1 152 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 153 171 A M 0 0 92 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 152.9 20.1 38.2 6.4 154 172 A D > - 0 0 75 -8,-0.0 4,-2.5 1,-0.0 5,-0.2 -0.892 360.0 -78.7-174.7 176.1 19.1 34.8 5.1 155 173 A I H > S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.848 127.6 53.7 -60.8 -38.4 20.8 31.4 4.8 156 174 A F H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 112.2 42.6 -61.9 -51.0 22.9 32.4 1.8 157 175 A E H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.877 112.7 55.3 -59.5 -41.3 24.3 35.5 3.6 158 176 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.946 111.7 42.3 -57.4 -50.7 24.8 33.5 6.8 159 177 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.881 108.7 58.5 -67.7 -36.3 26.9 30.9 4.9 160 178 A R H < S+ 0 0 93 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.919 112.1 43.9 -58.2 -38.1 28.7 33.7 3.0 161 179 A I H < S+ 0 0 75 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.968 118.7 40.4 -66.7 -53.0 29.7 34.9 6.5 162 180 A D H < 0 0 20 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.792 360.0 360.0 -71.1 -28.0 30.6 31.5 8.0 163 181 A E < 0 0 67 -4,-3.0 -145,-0.4 -5,-0.2 -1,-0.2 0.612 360.0 360.0-109.6 360.0 32.4 30.1 4.9