==== 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 (O-GLYCOSYL) 22-JAN-92 2L78 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.H.HURLEY,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 74.7 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 7.4 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 . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 1 0 1 2 0 0 1 1 0 0 0 0 1 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 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.2 43.4 -1.8 9.2 2 2 A N > - 0 0 71 156,-0.0 4,-2.4 95,-0.0 5,-0.1 -0.902 360.0 -80.0-150.0 178.1 40.1 -0.8 10.9 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.822 125.0 51.3 -56.2 -41.0 38.0 2.3 11.4 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.953 113.1 42.7 -63.4 -53.5 40.1 3.6 14.2 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.857 114.0 54.5 -60.1 -37.5 43.4 3.3 12.4 6 6 A M H >X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 3,-0.5 0.972 112.1 40.5 -61.4 -53.6 41.8 4.7 9.3 7 7 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.815 110.3 59.3 -66.8 -30.3 40.4 7.9 11.0 8 8 A R H 3X S+ 0 0 98 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.844 107.7 47.6 -67.1 -31.1 43.7 8.3 12.9 9 9 A I H << S+ 0 0 85 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.915 116.0 43.4 -74.4 -43.8 45.5 8.5 9.6 10 10 A D H < S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.821 126.0 28.2 -73.4 -35.0 43.0 11.0 8.1 11 11 A E H < S- 0 0 42 -4,-2.4 19,-0.4 1,-0.2 -1,-0.2 0.609 91.5-155.0-100.5 -21.3 42.6 13.4 11.1 12 12 A G < - 0 0 22 -4,-1.2 2,-0.3 -5,-0.3 -1,-0.2 -0.173 25.8 -84.1 71.6-165.9 46.1 13.0 12.9 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.988 42.5 174.0-142.3 128.1 46.5 13.7 16.6 14 14 A R E -A 28 0A 142 14,-1.5 14,-2.4 -2,-0.3 4,-0.1 -0.998 18.4-161.8-137.1 134.5 47.1 17.1 18.3 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.470 75.5 60.4 -95.7 -3.7 47.1 17.6 21.9 16 16 A K E S-C 57 0B 93 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.935 102.0 -87.6-122.9 141.7 46.6 21.4 21.9 17 17 A I E + 0 0 17 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.190 57.2 173.5 -47.3 134.5 43.5 23.1 20.4 18 18 A Y E -A 26 0A 28 8,-3.4 8,-2.8 -4,-0.1 2,-0.5 -0.866 34.2-103.7-134.8 178.3 44.0 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 -0.884 35.3-137.3-104.7 135.3 42.0 25.0 13.9 20 20 A D > - 0 0 50 4,-3.3 3,-1.4 -2,-0.5 -1,-0.1 0.088 38.6 -81.6 -72.4-169.8 40.7 22.5 11.3 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.825 133.7 48.5 -66.9 -30.1 40.7 22.7 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.380 124.8-103.5 -85.6 -0.6 37.4 24.8 7.7 23 23 A G S < S+ 0 0 37 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.560 74.8 139.3 90.0 14.5 39.0 27.1 10.4 24 24 A Y - 0 0 75 1,-0.1 -4,-3.3 -5,-0.0 -1,-0.3 -0.711 60.3-102.0 -98.6 146.4 37.2 25.6 13.5 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-3.1 11,-0.4 9,-1.2 -0.381 53.5 159.0 -64.1 123.1 38.6 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-3.4 6,-0.3 2,-0.3 -0.905 19.0-168.8-137.0 168.8 39.3 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.7 -2,-0.3 2,-0.3 -0.981 52.1 3.7-153.8 162.2 41.5 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.5 -2,-0.3 2,-0.8 -0.510 121.8 -4.0 73.7-137.2 42.7 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.1 -0.696 127.0 -54.9 -98.3 69.6 41.7 13.1 16.8 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.806 84.0 160.0 66.3 31.8 39.5 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-1.7 -4,-1.5 -20,-0.1 -1,-0.2 -0.731 33.7-142.5 -91.1 99.6 37.2 16.3 17.7 32 32 A L E -B 26 0A 66 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.383 17.5-174.2 -59.5 128.2 35.4 19.5 16.7 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.873 58.8 -33.4 -92.2 -42.6 35.0 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.4 -0.933 36.2-131.3-170.1 154.1 32.9 24.5 18.3 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.535 75.1 106.5 -91.5 -6.9 32.2 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 -0.387 74.5-127.3 -67.7 162.9 32.4 29.9 17.1 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.496 76.1 108.1 -86.2 -5.5 35.4 32.1 16.5 38 38 A S > - 0 0 53 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.670 55.0-161.2 -85.5 127.2 36.1 32.5 20.2 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.764 98.0 54.5 -69.3 -25.7 39.1 30.6 21.6 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 102.7 51.8 -76.8 -38.6 37.4 31.1 24.9 41 41 A A H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.892 113.0 48.8 -62.1 -33.0 34.2 29.5 23.8 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.875 108.1 52.4 -73.0 -39.5 36.5 26.5 22.6 43 43 A K H X S+ 0 0 47 -4,-2.2 4,-2.1 2,-0.2 11,-0.3 0.907 111.2 48.9 -62.6 -37.3 38.5 26.3 25.9 44 44 A S H X S+ 0 0 71 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 111.0 47.9 -67.2 -45.3 35.1 26.1 27.8 45 45 A E H X S+ 0 0 70 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.897 111.9 51.4 -62.7 -42.7 33.7 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.966 109.8 49.8 -59.8 -43.9 37.0 21.4 25.9 47 47 A D H X>S+ 0 0 38 -4,-2.1 4,-1.6 1,-0.3 5,-1.2 0.877 111.4 47.7 -62.7 -44.4 36.7 21.7 29.6 48 48 A K H <5S+ 0 0 139 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.814 110.6 51.5 -67.3 -37.3 33.3 20.5 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 118.6 37.6 -69.5 -34.2 34.1 17.6 27.3 50 50 A I H <5S- 0 0 34 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.577 100.9-126.9 -91.4 -24.0 37.1 16.4 29.6 51 51 A G T <5S+ 0 0 68 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.837 78.0 73.9 74.9 34.5 35.6 17.1 33.0 52 52 A R S - 0 0 8 -2,-1.0 3,-1.4 -11,-0.3 -1,-0.2 0.700 31.4-144.0 -90.2 -21.9 42.4 22.0 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.800 75.9 -59.9 59.5 29.6 43.9 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.554 116.5 104.0 77.4 11.5 43.5 24.0 26.1 57 57 A V B < +C 16 0B 66 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.968 41.9 175.5-129.2 140.9 45.8 21.0 26.6 58 58 A I - 0 0 3 -43,-2.1 2,-0.1 -2,-0.4 -30,-0.1 -0.943 26.7-111.8-136.9 164.8 45.0 17.3 26.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.446 35.2-102.8 -92.6 166.5 46.9 14.1 27.2 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 122.1 52.8 -54.5 -42.0 47.0 11.2 24.7 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.860 108.6 48.6 -60.0 -45.5 44.6 9.2 26.9 62 62 A E H > S+ 0 0 38 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.886 111.7 50.6 -65.6 -38.9 42.0 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -34,-0.4 0.918 111.6 47.9 -65.9 -39.7 42.3 12.4 23.2 64 64 A E H X S+ 0 0 68 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.803 108.0 55.3 -69.9 -31.7 41.7 8.7 22.7 65 65 A K H X S+ 0 0 133 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.952 108.8 45.6 -68.0 -45.5 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.878 112.5 54.1 -59.6 -40.1 37.1 11.5 23.0 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.961 105.7 51.4 -60.2 -50.9 38.0 9.6 19.8 68 68 A N H X S+ 0 0 94 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.903 112.9 46.6 -53.6 -43.1 36.4 6.4 21.2 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.832 110.4 52.0 -68.5 -35.4 33.2 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.2 4,-1.9 -3,-0.2 -1,-0.2 0.847 109.9 47.2 -70.0 -38.6 33.1 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 3,-0.4 0.982 112.7 50.9 -66.5 -50.5 33.4 6.8 16.6 72 72 A D H X S+ 0 0 89 -4,-1.8 4,-2.4 1,-0.3 -2,-0.2 0.895 112.7 46.1 -49.2 -46.3 30.7 5.2 18.7 73 73 A A H X S+ 0 0 41 -4,-2.1 4,-2.4 2,-0.2 -1,-0.3 0.853 110.1 53.2 -68.9 -35.6 28.4 8.2 18.1 74 74 A A H X S+ 0 0 11 -4,-1.9 4,-2.2 -3,-0.4 -2,-0.2 0.973 111.8 45.1 -63.0 -53.5 29.1 8.3 14.4 75 75 A V H X S+ 0 0 31 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.933 114.8 48.4 -51.6 -52.1 28.1 4.6 14.1 76 76 A R H X S+ 0 0 107 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.860 110.2 52.4 -59.0 -38.1 25.0 5.1 16.3 77 77 A G H X S+ 0 0 3 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.896 109.0 49.5 -65.8 -41.7 24.0 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 7,-0.5 0.963 111.3 49.7 -58.5 -51.9 24.2 6.2 11.1 79 79 A L H 3< S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 112.3 47.8 -60.7 -25.7 22.1 3.4 12.5 80 80 A R H 3< S+ 0 0 175 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.425 92.4 92.5 -90.4 -8.3 19.5 5.8 13.7 81 81 A N > S+ 0 0 3 -3,-0.5 4,-2.4 -6,-0.3 3,-0.6 0.840 100.2 71.4 -92.0 -40.2 21.8 6.1 6.1 85 85 A K H 3X S+ 0 0 83 -4,-2.6 4,-3.2 -7,-0.5 5,-0.2 0.869 98.4 47.0 -40.9 -55.6 20.9 2.9 7.8 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.817 112.2 51.3 -63.3 -33.9 19.9 0.9 4.7 87 87 A V H <> S+ 0 0 2 -3,-0.6 4,-1.0 -4,-0.3 3,-0.4 0.957 112.3 45.6 -68.3 -46.3 23.0 2.0 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.4 3,-0.9 1,-0.3 -3,-0.2 0.924 111.4 53.0 -60.1 -44.6 25.2 0.9 5.8 89 89 A D H 3< S+ 0 0 77 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.774 107.5 52.1 -64.6 -26.4 23.3 -2.4 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.710 96.4 88.0 -83.8 -19.0 23.8 -3.1 2.4 91 91 A L S << S- 0 0 5 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.392 75.4-119.7 -82.4 158.2 27.6 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.292 45.7 -89.1 -82.0 174.6 30.5 -5.1 3.3 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.832 124.1 48.8 -59.4 -37.8 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.944 112.6 47.2 -64.9 -49.8 35.4 -2.2 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.797 105.7 59.0 -64.6 -32.2 32.8 -0.0 2.7 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.919 102.6 54.3 -62.8 -41.9 31.0 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.932 105.5 54.1 -57.6 -43.2 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.858 108.8 47.6 -58.9 -38.8 34.3 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.899 110.0 51.9 -73.3 -33.8 30.8 5.6 5.3 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.952 106.8 54.6 -62.7 -47.3 31.6 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.953 108.6 48.1 -52.4 -52.8 34.6 8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.915 112.6 48.2 -56.4 -43.0 32.5 10.4 5.9 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.900 109.5 53.2 -66.4 -38.0 29.9 10.8 8.7 104 104 A F H < S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.0 40.9 -62.6 -38.4 32.7 11.5 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.875 132.7 17.1 -74.6 -45.7 34.1 14.3 9.0 106 106 A M H X S- 0 0 43 -4,-2.5 4,-1.1 -5,-0.2 -3,-0.2 0.487 96.9-125.4-113.6 -4.5 30.9 15.9 7.9 107 107 A G H >X - 0 0 33 -4,-2.6 4,-2.0 -5,-0.3 3,-0.7 0.254 41.1 -74.0 72.1 154.0 28.0 14.8 10.2 108 108 A E H 34 S+ 0 0 67 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.736 135.6 54.4 -50.1 -36.5 24.8 13.3 9.1 109 109 A T H >4 S+ 0 0 87 2,-0.2 3,-0.7 1,-0.1 4,-0.4 0.873 105.7 50.0 -73.4 -34.7 23.7 16.7 7.8 110 110 A G H X< S+ 0 0 34 -4,-1.1 3,-1.9 -3,-0.7 -2,-0.2 0.985 108.7 55.2 -64.8 -39.8 26.9 17.1 5.6 111 111 A I G >< S+ 0 0 2 -4,-2.0 3,-2.4 1,-0.3 -1,-0.2 0.668 86.3 84.7 -65.9 -12.4 26.1 13.6 4.2 112 112 A A G X S+ 0 0 60 -3,-0.7 3,-1.0 -4,-0.3 -1,-0.3 0.832 79.8 62.2 -64.0 -31.2 22.7 14.8 3.3 113 113 A G G < S+ 0 0 67 -3,-1.9 3,-0.4 -4,-0.4 -1,-0.3 0.629 87.4 76.1 -68.5 -13.2 23.9 16.2 0.1 114 114 A F G <> + 0 0 19 -3,-2.4 4,-3.0 1,-0.2 3,-0.4 0.228 50.3 127.7 -92.6 24.3 24.9 12.7 -1.0 115 115 A T H <> S+ 0 0 80 -3,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.832 78.0 43.2 -38.2 -53.8 21.5 11.4 -1.9 116 116 A N H > S+ 0 0 96 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.868 115.0 46.9 -66.9 -42.9 22.6 10.3 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.883 110.4 54.2 -67.4 -40.5 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 17 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.894 107.4 50.5 -63.3 -39.0 24.3 6.9 -1.5 119 119 A R H X S+ 0 0 112 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.893 110.3 49.6 -66.0 -35.1 21.8 5.4 -3.9 120 120 A M H <>S+ 0 0 24 -4,-1.7 5,-2.5 2,-0.2 4,-0.3 0.881 110.1 50.3 -70.5 -36.6 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.954 107.8 53.5 -65.3 -45.5 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.873 110.2 48.6 -54.3 -36.9 23.3 0.8 -2.2 123 123 A Q T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.508 113.5-121.4 -80.8 -8.8 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-1.9 2,-1.1 -4,-0.3 -3,-0.2 0.841 60.5 149.4 68.7 35.1 26.6 -1.5 -5.8 125 125 A R >< + 0 0 115 -5,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.718 19.6 175.5 -97.3 76.9 27.6 0.6 -8.8 126 126 A W H > + 0 0 51 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.893 69.9 43.8 -53.7 -53.6 31.1 1.3 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 115.9 47.4 -61.2 -45.8 32.6 3.2 -10.4 128 128 A E H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 110.2 51.9 -63.0 -44.4 29.6 5.3 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.889 107.8 54.4 -58.3 -39.9 29.4 6.1 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.951 109.6 46.4 -60.3 -48.8 33.1 7.1 -7.2 131 131 A V H >X S+ 0 0 87 -4,-2.0 3,-0.6 1,-0.2 4,-0.6 0.952 114.4 46.8 -57.5 -56.0 32.5 9.6 -10.0 132 132 A N H >< S+ 0 0 40 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.873 107.6 57.2 -57.5 -38.9 29.4 11.1 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.868 100.5 59.2 -60.0 -36.9 31.2 11.4 -5.0 134 134 A A H << S+ 0 0 26 -4,-1.4 2,-1.5 -3,-0.6 -1,-0.3 0.633 85.6 78.2 -69.2 -20.9 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 153 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.615 79.9 97.3 -86.3 72.0 31.5 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-1.5 4,-1.8 1,-0.1 3,-0.3 -0.990 85.7-114.6-155.7 153.9 31.2 17.8 -4.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.913 116.1 63.5 -53.1 -41.9 32.6 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.895 104.3 42.9 -45.4 -54.7 34.0 17.8 -0.0 139 139 A Y H 4 S+ 0 0 54 -6,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.847 116.0 47.9 -65.3 -39.4 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.851 115.0 45.0 -74.6 -30.8 37.3 19.9 -3.9 141 141 A Q H < S+ 0 0 102 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.927 131.0 18.8 -78.5 -44.7 38.2 21.1 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 -0.615 74.1 164.8-125.4 70.2 40.0 18.0 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.842 69.4 52.7 -55.5 -43.2 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.933 114.7 39.1 -65.3 -45.8 43.5 13.8 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 114.8 54.3 -67.3 -44.4 41.4 12.4 2.0 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -8,-0.2 5,-0.2 0.942 107.6 52.4 -54.2 -44.9 38.3 12.4 -0.3 147 147 A K H X S+ 0 0 94 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.890 108.6 49.6 -58.6 -42.9 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 66 -4,-1.6 4,-1.6 2,-0.2 12,-0.2 0.940 114.3 43.6 -63.7 -46.6 41.3 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.936 114.1 51.4 -64.2 -44.1 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.891 108.6 49.9 -57.0 -47.1 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.3 4,-2.8 1,-0.2 6,-0.4 0.836 107.5 56.0 -64.4 -32.6 39.0 4.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.858 110.5 43.8 -67.2 -39.3 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.920 115.9 48.3 -70.5 -43.6 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.935 125.4 27.0 -58.5 -50.6 35.4 1.8 -5.4 155 155 A T H < S- 0 0 44 -4,-2.8 -3,-0.2 2,-0.2 -1,-0.2 0.696 85.8-137.5 -89.9 -26.5 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-1.8 2,-0.3 -5,-0.3 -62,-0.2 0.691 73.7 98.1 71.6 16.0 36.3 -2.5 -1.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.4 -5,-0.1 -1,-0.3 -0.851 81.4-119.6-125.9 169.4 40.0 -2.8 0.0 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-1.8 1,-0.2 4,-0.6 0.061 71.7 123.0 -93.6 23.6 42.2 -0.7 2.3 159 159 A D G >4 + 0 0 79 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.843 67.1 57.4 -56.0 -40.7 44.7 -0.1 -0.5 160 160 A A G 34 S+ 0 0 31 2,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.567 109.4 47.5 -62.4 -18.8 44.5 3.7 -0.3 161 161 A Y G <4 0 0 16 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.391 360.0 360.0-106.7 4.7 45.5 3.5 3.3 162 162 A K << 0 0 204 -3,-0.9 -2,-0.5 -4,-0.6 -3,-0.2 0.999 360.0 360.0-127.0 360.0 48.9 0.7 2.8