==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 06-MAY-91 1L63 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.NICHOLSON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.5 43.6 -1.8 9.0 2 2 A N > - 0 0 67 156,-0.0 4,-2.4 95,-0.0 3,-0.2 -0.901 360.0 -85.3-148.2 174.6 40.4 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.835 124.2 52.8 -54.7 -41.7 38.3 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 112.9 41.8 -61.9 -48.6 40.4 3.6 14.1 5 5 A E H > S+ 0 0 95 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.820 114.3 54.1 -69.0 -32.7 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.960 112.2 41.8 -64.9 -51.1 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.813 109.2 59.3 -66.8 -31.0 40.7 7.8 10.9 8 8 A R H X S+ 0 0 105 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.897 107.8 46.9 -67.2 -32.9 43.9 8.3 12.8 9 9 A I H < S+ 0 0 84 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.7 45.0 -71.8 -43.1 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 125.3 28.8 -70.3 -32.9 43.1 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.3 19,-0.3 -5,-0.2 -1,-0.2 0.717 90.5-153.1-103.5 -26.8 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.171 25.6 -88.0 76.6-170.2 46.3 13.1 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.975 40.9 174.9-140.6 126.4 46.7 13.7 16.6 14 14 A R E -A 28 0A 140 14,-1.6 14,-2.3 -2,-0.4 4,-0.1 -0.999 18.4-163.5-135.0 131.0 47.3 17.1 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.384 75.1 63.1 -93.5 0.3 47.4 17.6 21.9 16 16 A K E S-C 57 0B 94 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.941 101.2 -88.0-124.6 144.4 46.9 21.4 21.8 17 17 A I E + 0 0 18 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.217 58.4 171.0 -50.3 137.5 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-2.9 8,-2.9 -4,-0.1 2,-0.5 -0.879 34.9-103.7-141.0 175.0 44.2 23.8 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.870 33.2-137.9-104.9 135.7 42.2 25.0 13.9 20 20 A D > - 0 0 50 4,-3.2 3,-1.7 -2,-0.5 -1,-0.1 -0.050 40.9 -80.7 -77.2-171.7 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.773 133.8 47.9 -62.9 -25.4 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.371 124.9-102.6 -93.5 -1.7 37.7 25.0 7.8 23 23 A G S < S+ 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.540 73.7 142.3 91.7 11.8 39.2 27.1 10.5 24 24 A Y - 0 0 78 1,-0.1 -4,-3.2 -5,-0.1 2,-0.3 -0.648 59.2-100.6 -93.3 151.2 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.0 11,-0.4 9,-1.4 -0.477 55.1 160.3 -66.8 119.8 38.7 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.9 -2,-0.3 2,-0.3 -0.836 19.4-168.2-135.1 165.9 39.6 21.3 17.3 27 27 A I E > - B 0 31A 0 4,-1.4 4,-1.8 -2,-0.3 2,-0.2 -0.978 51.7 -1.6-154.4 159.4 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.6 -2,-0.3 2,-0.9 -0.373 122.8 -2.3 68.6-128.6 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.616 127.5 -55.3 -99.7 69.2 42.0 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.777 82.9 161.4 69.3 24.8 39.7 15.5 14.7 31 31 A H E < -B 27 0A 34 -4,-1.8 -4,-1.4 1,-0.0 -1,-0.2 -0.656 33.4-141.7 -82.0 102.9 37.4 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.374 20.2-177.0 -63.7 130.3 35.6 19.5 16.7 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.894 57.1 -26.7 -94.4 -48.3 35.2 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.972 34.8-137.4-162.5 155.5 33.2 24.7 18.4 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.483 74.9 110.8 -95.0 -4.9 32.4 26.6 15.3 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.376 72.3-131.9 -71.6 147.4 32.7 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.633 76.3 103.1 -73.2 -12.2 35.6 32.2 16.6 38 38 A S > - 0 0 50 1,-0.2 4,-1.9 2,-0.0 3,-0.3 -0.654 58.0-158.6 -85.5 121.4 36.4 32.5 20.3 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.744 98.5 56.4 -62.6 -23.7 39.3 30.6 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.882 102.0 50.4 -80.4 -36.5 37.7 31.0 25.0 41 41 A A H > S+ 0 0 38 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.884 112.6 52.3 -64.8 -31.1 34.5 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.884 108.4 48.0 -66.1 -43.7 36.8 26.6 22.6 43 43 A K H X S+ 0 0 44 -4,-2.1 4,-2.6 2,-0.2 11,-0.3 0.880 111.0 52.1 -66.7 -37.1 38.6 26.2 26.0 44 44 A S H X S+ 0 0 75 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.942 110.7 45.7 -62.6 -50.6 35.4 26.1 27.8 45 45 A E H X S+ 0 0 69 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.928 112.7 53.5 -59.4 -46.2 33.9 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.936 109.1 45.7 -56.0 -49.9 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.6 4,-2.3 1,-0.2 5,-1.1 0.890 113.4 51.6 -62.7 -36.0 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 141 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.884 110.0 49.1 -63.4 -43.4 33.5 20.5 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 120.2 35.7 -66.0 -36.9 34.4 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.697 100.5-124.9 -91.9 -27.1 37.3 16.4 29.6 51 51 A G T <5S+ 0 0 70 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.814 78.1 75.8 84.9 26.0 36.0 17.1 33.0 52 52 A R S - 0 0 10 -2,-0.9 3,-1.5 -11,-0.3 -1,-0.2 0.717 32.3-144.7 -97.8 -17.4 42.7 22.0 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.861 75.2 -60.1 54.1 37.3 44.1 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.533 115.8 100.2 71.5 10.2 43.8 24.0 26.1 57 57 A V B < +C 16 0B 64 -3,-1.5 2,-0.2 -41,-0.2 -41,-0.2 -0.975 44.8 179.4-131.3 136.5 46.1 21.1 26.4 58 58 A I - 0 0 4 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.787 26.0-110.9-126.2 167.2 45.2 17.3 26.9 59 59 A T > - 0 0 67 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.491 35.2-104.6 -90.9 166.4 47.1 14.0 27.2 60 60 A K H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 121.9 52.9 -56.8 -43.3 47.2 11.2 24.7 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 108.0 50.4 -58.0 -45.7 44.8 9.1 26.8 62 62 A E H > S+ 0 0 38 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.909 111.2 50.1 -62.3 -43.9 42.3 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -34,-0.4 0.883 111.3 47.7 -59.3 -46.1 42.6 12.3 23.1 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.817 108.8 54.4 -69.5 -30.0 42.0 8.7 22.6 65 65 A K H X S+ 0 0 136 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.954 108.9 46.9 -69.2 -42.3 39.1 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 112.1 53.6 -59.4 -42.0 37.4 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.929 105.5 51.8 -61.6 -47.5 38.2 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.929 112.2 47.0 -56.2 -43.4 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 92 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.877 111.2 51.4 -64.8 -40.1 33.4 8.3 21.9 70 70 A D H X S+ 0 0 34 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.868 109.5 47.1 -67.8 -37.5 33.3 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.953 113.9 50.0 -68.1 -44.4 33.6 6.8 16.5 72 72 A D H X S+ 0 0 90 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.938 112.2 46.7 -55.9 -48.8 30.9 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.914 110.7 54.1 -60.7 -43.2 28.7 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.974 111.6 43.6 -57.1 -56.2 29.5 8.2 14.4 75 75 A V H X S+ 0 0 35 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.925 115.2 48.2 -53.5 -49.7 28.4 4.6 14.1 76 76 A R H X S+ 0 0 111 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.888 108.5 55.2 -64.4 -35.2 25.2 5.1 16.3 77 77 A G H X S+ 0 0 4 -4,-2.9 4,-0.6 -5,-0.3 3,-0.4 0.955 108.4 48.1 -63.4 -45.1 24.2 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 7,-0.4 0.938 111.7 50.4 -57.6 -46.3 24.4 6.1 11.0 79 79 A L H 3< S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 112.8 45.8 -69.5 -20.3 22.3 3.4 12.6 80 80 A R H 3< S+ 0 0 171 -4,-1.6 2,-0.5 -3,-0.4 -1,-0.3 0.371 93.1 95.4 -95.9 -6.4 19.7 5.8 13.8 81 81 A N S+ 0 0 124 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.766 119.6 41.3 -86.4 -30.1 18.8 7.4 5.1 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.3 0.878 99.9 67.3 -86.7 -40.6 22.0 6.1 6.2 85 85 A K H X S+ 0 0 82 -4,-2.4 4,-3.0 -7,-0.4 5,-0.2 0.855 99.3 49.7 -49.0 -47.8 21.1 2.8 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.886 112.0 49.9 -64.8 -36.2 20.0 1.0 4.7 87 87 A V H X S+ 0 0 2 -4,-0.5 4,-0.8 -3,-0.3 3,-0.3 0.967 112.4 46.5 -64.3 -52.3 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.934 110.8 52.7 -53.9 -49.7 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 107.8 52.6 -58.2 -33.6 23.5 -2.5 6.1 90 90 A S H 3< S+ 0 0 34 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.624 96.8 87.7 -77.0 -15.8 24.0 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.4 31,-0.0 -4,-0.8 30,-0.0 -0.564 74.7-117.1 -89.9 158.6 27.8 -2.6 2.5 92 92 A D > - 0 0 57 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.188 44.9 -90.6 -78.1 173.6 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.850 123.2 46.7 -58.7 -38.5 33.1 -4.4 6.1 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.4 2,-0.2 3,-0.4 0.961 113.0 47.3 -68.1 -51.5 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.842 105.7 60.7 -61.6 -33.0 33.0 0.1 2.6 96 96 A R H X S+ 0 0 80 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.928 102.0 52.9 -57.9 -42.7 31.3 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.875 105.7 55.4 -57.3 -41.1 34.5 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.882 108.9 45.9 -60.5 -41.9 34.4 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.899 110.8 52.4 -71.1 -38.2 30.9 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.935 107.8 53.9 -62.1 -41.0 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.951 108.3 47.5 -57.0 -52.0 34.8 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.899 113.2 49.7 -56.6 -42.4 32.6 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.916 107.7 52.9 -64.1 -41.3 30.1 10.7 8.9 104 104 A F H < S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 117.4 38.7 -60.5 -39.4 32.9 11.4 11.4 105 105 A Q H < S+ 0 0 58 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.846 132.3 19.9 -79.9 -44.4 34.2 14.3 9.2 106 106 A M H X S- 0 0 54 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.538 101.9-115.6-113.5 -3.1 31.0 15.8 8.0 107 107 A G H X - 0 0 32 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.153 33.3 -81.1 83.0 154.7 28.2 14.8 10.3 108 108 A E H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 125.9 55.2 -59.3 -42.5 25.2 12.6 9.7 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.937 108.5 46.1 -60.3 -47.3 23.3 15.5 8.2 110 110 A G H >< S+ 0 0 34 -4,-0.6 3,-0.8 2,-0.2 -1,-0.2 0.937 114.8 45.6 -61.0 -50.3 25.8 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-3.1 1,-0.3 -2,-0.2 0.933 106.9 59.4 -61.0 -42.5 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 11 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.792 96.5 65.2 -57.5 -23.5 22.7 12.1 4.4 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-1.3 -3,-0.8 -1,-0.3 0.564 75.6 86.8 -76.6 -6.3 22.6 14.9 1.9 114 114 A F <> + 0 0 43 -3,-3.1 4,-2.6 1,-0.2 3,-0.4 -0.277 56.3 159.3 -88.0 52.3 24.6 12.9 -0.7 115 115 A T H > + 0 0 86 -2,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.837 65.7 42.8 -38.8 -59.1 21.4 11.4 -1.9 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.856 114.4 48.7 -62.7 -42.0 22.5 10.2 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.896 109.9 54.5 -66.5 -41.4 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.890 108.1 48.6 -59.3 -41.6 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 120 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.893 111.7 49.9 -67.6 -37.5 21.7 5.3 -3.9 120 120 A M H <>S+ 0 0 25 -4,-1.9 5,-2.3 2,-0.2 4,-0.4 0.890 109.8 50.3 -69.9 -36.9 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.954 109.0 52.1 -64.9 -43.9 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.896 109.9 49.3 -58.0 -36.5 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.467 113.0-122.1 -81.3 -3.9 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-2.0 2,-1.2 -4,-0.4 -3,-0.2 0.792 61.2 147.4 65.2 34.3 26.7 -1.4 -5.8 125 125 A R >< + 0 0 115 -5,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.734 20.3 174.1-100.8 79.4 27.6 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.884 69.8 45.4 -57.3 -52.3 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 115.5 48.3 -63.2 -42.6 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.886 111.1 49.2 -68.5 -36.3 29.5 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.891 108.5 54.0 -67.3 -37.0 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.921 109.7 48.2 -62.1 -43.1 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 89 -4,-2.0 4,-0.6 2,-0.2 3,-0.4 0.938 114.3 45.9 -61.9 -48.6 32.5 9.7 -10.0 132 132 A N H >< S+ 0 0 38 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.883 108.3 56.1 -64.5 -39.4 29.3 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.850 99.6 60.9 -62.1 -32.3 31.1 11.6 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.7 -3,-0.4 -1,-0.2 0.705 86.5 78.0 -71.1 -19.7 33.9 13.7 -6.5 135 135 A K S << S+ 0 0 151 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.546 79.3 97.0 -88.4 71.6 31.4 16.4 -7.5 136 136 A S S > S- 0 0 20 -2,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.988 85.3-116.3-153.7 156.5 31.1 17.9 -4.1 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.890 114.9 64.8 -61.0 -37.6 32.6 20.8 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.926 104.4 41.9 -48.6 -54.0 34.0 18.0 0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.9 50.8 -65.1 -40.2 36.2 16.6 -2.6 140 140 A N H < S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.895 115.1 41.4 -67.1 -36.0 37.2 20.1 -3.7 141 141 A Q H < S+ 0 0 100 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 131.8 20.8 -78.5 -42.6 38.2 21.3 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.567 73.4 163.4-127.8 67.0 40.0 18.1 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.811 69.9 50.5 -56.2 -39.3 40.9 16.4 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.917 116.1 41.0 -69.6 -42.9 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.905 114.7 52.5 -68.4 -44.0 41.4 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 -8,-0.2 5,-0.2 0.947 108.3 51.3 -56.4 -49.2 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.859 108.6 51.4 -56.5 -39.9 40.3 10.5 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.946 114.0 43.2 -63.8 -44.3 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.925 114.4 50.5 -65.7 -44.5 37.8 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.863 108.3 51.6 -61.8 -40.0 36.5 7.4 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.2 6,-0.3 0.873 106.1 55.7 -67.2 -34.8 39.0 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.899 110.8 45.1 -61.7 -41.1 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.900 115.3 46.8 -67.3 -43.3 34.3 2.8 -1.9 154 154 A R H < S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 126.3 27.0 -63.6 -46.2 35.4 2.0 -5.5 155 155 A T H < S- 0 0 42 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.691 83.8-138.8 -92.5 -33.8 37.6 -0.9 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.2 -5,-0.3 -62,-0.2 0.692 72.3 98.5 75.3 15.6 36.4 -2.3 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.789 80.9-118.6-128.4 175.0 40.1 -2.7 -0.1 158 158 A W S > S+ 0 0 43 -2,-0.2 3,-2.1 1,-0.2 4,-0.3 0.125 71.8 122.1 -97.8 15.6 42.4 -0.6 2.1 159 159 A D G > + 0 0 95 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.835 65.6 59.1 -47.8 -41.1 44.9 0.0 -0.7 160 160 A A G 3 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.660 109.6 46.3 -65.5 -17.8 44.6 3.9 -0.4 161 161 A Y G < 0 0 17 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.315 360.0 360.0-108.6 5.1 45.7 3.6 3.1 162 162 A K < 0 0 171 -3,-2.0 -2,-0.2 -4,-0.3 -3,-0.1 0.789 360.0 360.0-108.7 360.0 48.6 1.2 2.5