==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-03 1P36 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.MOOERS,D.DATTA,W.A.BAASE,E.S.ZOLLARS,S.L.MAYO, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 69.5 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 . 10 6.1 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 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 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 2 0 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 1 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 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,-0.2 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.9 43.0 -1.6 8.7 2 2 A N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.908 360.0 -80.5-162.3 171.3 39.7 -0.6 10.5 3 3 A I H > S+ 0 0 30 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.827 127.0 50.6 -52.0 -41.0 37.6 2.6 11.1 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 114.0 42.4 -65.0 -49.0 39.8 3.7 14.0 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.890 115.0 52.6 -63.6 -35.8 43.1 3.3 12.0 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.964 113.0 41.4 -65.6 -53.0 41.5 4.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.839 108.9 60.6 -66.4 -30.8 40.2 7.9 10.8 8 8 A R H X S+ 0 0 101 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.906 108.5 44.7 -63.0 -36.1 43.5 8.2 12.7 9 9 A I H < S+ 0 0 57 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.944 116.9 45.7 -71.1 -42.1 45.3 8.6 9.4 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.783 124.0 30.5 -70.3 -31.1 42.8 11.1 8.1 11 11 A E H < S- 0 0 40 -4,-2.8 19,-0.5 -5,-0.2 -1,-0.2 0.622 92.5-152.0-105.8 -15.4 42.5 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.174 24.5 -87.3 72.2-171.4 46.0 13.0 12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 45.3 166.6-143.2 119.8 46.6 13.4 16.5 14 14 A R E -A 28 0A 142 14,-1.8 14,-2.6 -2,-0.4 4,-0.1 -0.999 21.2-160.9-136.6 128.8 47.2 16.8 18.1 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.519 73.4 62.5 -90.1 -5.5 47.1 17.3 21.9 16 16 A K E S-C 57 0B 141 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.899 101.0 -86.8-117.6 148.9 46.6 21.1 21.9 17 17 A I E + 0 0 32 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.261 59.1 164.3 -53.6 136.5 43.7 22.9 20.5 18 18 A Y E -A 26 0A 30 8,-2.7 8,-3.0 6,-0.1 2,-0.5 -0.888 39.1 -96.7-145.8 173.7 44.2 23.7 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.852 35.0-140.0-103.0 134.8 42.1 24.8 13.9 20 20 A D > - 0 0 45 4,-2.9 3,-2.1 -2,-0.5 -1,-0.1 0.051 42.1 -76.8 -76.6-169.3 40.8 22.2 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.695 134.3 49.9 -65.8 -19.1 40.5 22.4 7.7 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.305 123.4-103.8 -94.8 1.6 37.5 24.6 8.0 23 23 A G S < S+ 0 0 38 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.623 76.0 140.3 88.0 12.1 39.2 26.9 10.5 24 24 A Y - 0 0 66 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.755 60.2-104.4 -98.8 138.1 37.3 25.4 13.5 25 25 A Y E +A 19 0A 36 11,-0.5 8,-2.7 9,-0.4 9,-1.3 -0.351 54.4 157.0 -60.7 133.9 38.8 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.7 6,-0.3 2,-0.3 -0.902 20.6-164.7-146.2 169.3 39.4 21.0 17.4 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 2,-0.2 -0.970 51.8 6.4-154.0 166.2 41.7 18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.8 -2,-0.3 2,-0.9 -0.423 122.9 -7.2 67.1-129.6 42.9 15.2 19.6 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.2 -0.718 128.3 -51.8-103.1 76.1 41.9 13.0 16.6 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.5 -2,-0.2 0.787 82.3 162.4 66.9 26.0 39.6 15.3 14.8 31 31 A H E < -B 27 0A 31 -4,-2.3 -4,-1.8 -20,-0.1 2,-0.2 -0.692 31.2-145.1 -86.1 104.2 37.4 16.1 17.8 32 32 A L E -B 26 0A 78 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.470 17.6-174.9 -64.8 130.0 35.5 19.3 16.7 33 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.866 56.7 -34.8 -96.6 -41.6 35.0 21.5 19.7 34 34 A T - 0 0 31 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.4 -0.968 34.8-128.7-172.4 161.2 32.9 24.4 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.488 75.4 115.1 -97.5 -5.0 32.3 26.4 15.2 36 36 A S - 0 0 37 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.271 67.9-138.6 -62.6 146.4 32.7 29.5 17.3 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.560 76.2 105.0 -84.3 -0.7 35.6 31.9 16.6 38 38 A S > - 0 0 48 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.670 56.9-162.9 -83.8 114.5 36.0 32.3 20.4 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.883 94.5 56.6 -61.0 -33.1 39.0 30.4 21.7 40 40 A N H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 104.5 50.6 -63.1 -41.0 37.5 30.7 25.1 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.5 50.2 -62.5 -39.6 34.4 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 109.0 51.5 -64.4 -40.3 36.4 26.2 22.5 43 43 A K H X S+ 0 0 54 -4,-2.9 4,-2.7 1,-0.2 11,-0.2 0.899 107.7 51.9 -64.3 -39.8 38.3 25.8 25.8 44 44 A S H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.930 109.0 50.4 -63.3 -40.8 35.1 25.6 27.7 45 45 A E H X S+ 0 0 66 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.923 109.8 52.7 -60.4 -40.5 33.8 22.9 25.4 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.955 108.4 47.8 -60.8 -47.4 37.0 21.0 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.7 4,-2.8 1,-0.2 5,-1.1 0.914 112.6 49.8 -60.9 -40.8 36.8 21.1 29.6 48 48 A K H <5S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.5 48.2 -64.2 -39.5 33.2 19.9 29.5 49 49 A A H <5S+ 0 0 41 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.901 120.1 35.4 -69.8 -39.2 34.1 17.1 27.2 50 50 A I H <5S- 0 0 35 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.701 103.4-125.7 -84.7 -29.8 37.1 15.9 29.3 51 51 A G T <5S+ 0 0 66 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.716 76.7 75.6 91.3 20.9 35.6 16.6 32.7 52 52 A R S - 0 0 13 -2,-1.1 3,-1.0 -11,-0.2 -1,-0.2 0.557 36.0-137.5 -93.1 -16.9 42.4 21.8 31.1 55 55 A N T 3 S- 0 0 126 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.924 72.0 -65.0 68.0 16.0 44.0 24.9 29.8 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.492 111.6 96.2 77.0 5.6 43.7 23.6 26.1 57 57 A V B < -C 16 0B 65 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.983 46.8-179.5-127.9 135.5 46.1 20.5 26.3 58 58 A I - 0 0 4 -43,-2.7 2,-0.1 -2,-0.4 -30,-0.1 -0.819 27.6-104.3-128.1 172.8 45.0 17.0 26.8 59 59 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.449 31.9-110.5 -91.4 167.3 46.8 13.6 27.1 60 60 A K H > S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.908 120.2 53.3 -60.4 -43.3 46.9 10.9 24.4 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 109.8 48.4 -58.8 -43.2 44.8 8.7 26.5 62 62 A E H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 109.9 52.1 -64.2 -40.8 42.2 11.5 26.8 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.935 110.3 48.5 -61.0 -43.0 42.4 12.1 23.0 64 64 A E H X S+ 0 0 90 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.855 106.8 57.2 -67.3 -31.6 41.7 8.4 22.4 65 65 A K H X S+ 0 0 140 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.959 110.0 43.0 -63.0 -46.9 38.8 8.5 24.8 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.881 111.6 56.1 -63.8 -36.2 37.0 11.2 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.937 106.8 48.5 -60.9 -46.6 37.9 9.5 19.6 68 68 A N H X S+ 0 0 89 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.935 112.9 48.7 -58.1 -42.5 36.2 6.3 20.7 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.923 111.9 50.1 -61.2 -43.6 33.1 8.3 21.8 70 70 A D H X S+ 0 0 36 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.900 110.9 46.6 -65.1 -40.8 33.1 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.949 113.7 49.7 -65.8 -46.3 33.3 7.0 16.3 72 72 A D H X S+ 0 0 72 -4,-2.8 4,-3.0 -5,-0.3 5,-0.2 0.942 110.1 51.1 -58.4 -40.5 30.6 5.4 18.4 73 73 A A H X S+ 0 0 58 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.870 107.3 53.4 -66.5 -32.8 28.5 8.5 18.0 74 74 A A H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.951 110.4 46.1 -67.2 -44.8 28.9 8.5 14.3 75 75 A V H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.946 113.0 51.7 -59.0 -45.6 27.7 4.9 14.0 76 76 A R H X S+ 0 0 121 -4,-3.0 4,-1.5 -5,-0.3 -1,-0.2 0.929 107.6 52.4 -56.7 -44.2 24.9 5.8 16.3 77 77 A G H < S+ 0 0 4 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.900 109.5 48.0 -61.6 -38.9 23.9 8.7 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 7,-0.4 0.943 109.2 53.1 -66.0 -46.6 23.8 6.6 11.0 79 79 A L H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.735 112.2 45.9 -61.9 -25.2 21.7 3.9 12.7 80 80 A R T 3< S+ 0 0 171 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.425 94.3 91.0 -95.4 -4.2 19.1 6.5 13.8 81 81 A N <> - 0 0 6 -3,-1.2 4,-2.6 -4,-0.5 3,-0.0 -0.836 65.6-150.1 -98.2 126.6 18.9 8.3 10.5 82 82 A A T 4 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.708 97.1 46.8 -67.5 -18.5 16.3 7.1 8.0 83 83 A K T 4 S+ 0 0 114 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.834 119.1 37.4 -87.7 -34.2 18.3 8.1 5.0 84 84 A L T > S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 5,-0.3 0.804 100.6 69.6 -89.4 -34.6 21.5 6.6 6.1 85 85 A K H X S+ 0 0 84 -4,-2.6 4,-3.3 -7,-0.4 5,-0.2 0.936 98.4 48.8 -52.2 -51.3 20.6 3.4 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.908 113.3 48.4 -58.8 -37.7 19.4 1.4 4.8 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.8 2,-0.2 3,-0.5 0.974 112.7 48.2 -66.0 -49.8 22.6 2.4 2.9 88 88 A Y H >< S+ 0 0 37 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.926 110.9 50.4 -54.0 -48.6 24.8 1.4 5.8 89 89 A D H 3< S+ 0 0 71 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.830 106.6 56.4 -62.4 -30.0 23.0 -1.9 6.2 90 90 A S H 3< S+ 0 0 37 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.635 95.7 86.5 -76.3 -14.0 23.4 -2.7 2.6 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.496 77.4-115.7 -92.1 161.5 27.2 -2.3 2.6 92 92 A D > - 0 0 55 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.304 46.1 -95.6 -75.6 165.6 30.1 -4.7 3.4 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.831 122.0 52.7 -59.0 -34.3 32.2 -3.8 6.4 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.968 112.9 43.3 -66.6 -51.2 34.9 -2.0 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.848 108.2 60.2 -63.7 -33.0 32.4 0.3 2.8 96 96 A R H X S+ 0 0 81 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.928 102.2 52.8 -58.0 -45.2 30.5 0.8 6.0 97 97 A A H X S+ 0 0 8 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.877 104.6 56.1 -58.7 -38.5 33.7 2.2 7.5 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.919 108.6 47.4 -61.0 -38.8 33.9 4.7 4.5 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.923 110.0 51.5 -68.3 -39.4 30.4 5.9 5.4 100 100 A V H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.924 107.6 55.4 -60.9 -39.9 31.3 6.3 9.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.944 107.5 47.7 -57.8 -49.2 34.3 8.3 8.0 102 102 A M H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.918 112.4 48.9 -59.1 -44.7 32.2 10.7 6.0 103 103 A V H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.892 108.7 53.6 -63.0 -38.7 29.7 11.1 9.0 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.936 116.2 40.0 -60.7 -39.9 32.6 11.7 11.4 105 105 A Q H < S+ 0 0 50 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.898 134.2 16.0 -75.6 -42.6 33.9 14.5 9.1 106 106 A M H X S- 0 0 56 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.452 102.8-114.5-113.9 -6.8 30.6 16.2 8.1 107 107 A G H X - 0 0 31 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.193 34.9 -77.1 85.5 155.7 27.9 15.0 10.4 108 108 A E H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.897 129.2 50.2 -54.1 -49.8 24.8 12.9 9.9 109 109 A T H > S+ 0 0 116 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.921 108.9 52.4 -59.3 -45.9 22.8 15.7 8.3 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.7 1,-0.2 4,-0.2 0.957 114.9 39.8 -56.8 -53.8 25.6 16.5 5.9 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.868 107.2 62.9 -66.3 -37.0 26.0 13.0 4.6 112 112 A A H 3< S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 96.1 63.6 -60.6 -22.5 22.2 12.3 4.6 113 113 A G T << S+ 0 0 52 -4,-1.2 2,-2.0 -3,-0.7 3,-0.3 0.623 74.6 88.5 -77.0 -11.1 22.0 15.0 2.0 114 114 A F <> + 0 0 43 -3,-2.2 4,-2.9 -4,-0.2 5,-0.3 -0.269 56.0 158.1 -80.8 53.0 24.1 13.1 -0.5 115 115 A T H > + 0 0 79 -2,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.850 65.3 43.3 -46.9 -51.1 20.9 11.6 -1.8 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.913 115.3 48.8 -67.9 -40.6 21.9 10.6 -5.3 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.933 110.3 53.0 -60.8 -42.9 25.3 9.2 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.899 107.9 50.3 -57.6 -44.5 23.6 7.3 -1.4 119 119 A R H X S+ 0 0 115 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.943 109.3 50.6 -62.4 -45.1 21.2 5.7 -3.9 120 120 A M H <>S+ 0 0 40 -4,-2.4 5,-2.6 1,-0.2 4,-0.4 0.889 110.7 50.3 -61.4 -36.7 24.1 4.7 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.925 109.3 50.2 -65.3 -42.6 25.9 3.1 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.5 50.4 -63.6 -31.8 22.7 1.2 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.517 111.6-124.1 -80.5 -7.4 22.5 -0.0 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.4 2,-1.3 -4,-0.4 -3,-0.2 0.818 60.6 147.8 66.1 32.9 26.1 -1.1 -5.8 125 125 A R >< + 0 0 120 -5,-2.6 4,-2.7 1,-0.2 5,-0.2 -0.726 21.9 175.8 -98.0 75.1 27.0 1.0 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.843 68.5 43.3 -53.8 -49.9 30.5 1.6 -7.5 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 116.1 48.4 -69.3 -38.3 32.2 3.6 -10.2 128 128 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 111.1 50.5 -66.6 -40.1 29.2 5.7 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.922 108.6 53.3 -61.7 -41.7 28.8 6.5 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.921 109.9 47.1 -61.1 -42.8 32.5 7.4 -6.9 131 131 A V H < S+ 0 0 82 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.924 114.8 47.4 -64.0 -41.6 32.1 9.9 -9.8 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.911 106.3 56.2 -66.7 -40.9 29.0 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.3 -1,-0.2 0.812 101.2 59.7 -59.7 -32.6 30.6 11.6 -4.7 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.3 0.645 83.6 82.0 -73.1 -15.3 33.4 13.8 -6.2 135 135 A K S < S+ 0 0 158 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 -0.553 81.0 96.2 -88.7 69.7 30.9 16.4 -7.4 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.994 85.9-114.8-156.6 158.2 30.8 18.1 -4.0 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.929 116.1 61.7 -61.6 -37.9 32.1 20.8 -1.8 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.925 106.4 42.1 -51.8 -51.1 33.5 18.0 0.3 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.946 115.2 50.1 -63.8 -45.8 35.7 16.7 -2.5 140 140 A N H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.0 42.7 -61.2 -42.0 36.8 20.1 -3.6 141 141 A Q H < S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 132.6 19.7 -76.4 -36.2 37.8 21.3 -0.1 142 142 A T S X S+ 0 0 18 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.593 74.1 160.0-133.0 74.1 39.5 18.1 1.0 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.883 70.4 50.1 -67.4 -38.8 40.4 16.3 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.943 116.8 41.7 -68.0 -42.1 43.1 13.9 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 115.6 50.4 -64.0 -46.7 41.0 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.3 5,-0.3 0.923 107.1 55.0 -57.6 -43.6 37.9 12.5 -0.2 147 147 A K H X S+ 0 0 94 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.3 0.882 107.1 50.3 -58.4 -38.2 39.8 10.6 -2.8 148 148 A R H X S+ 0 0 55 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.933 113.5 44.3 -64.9 -45.3 40.8 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.914 113.5 51.1 -65.5 -42.0 37.3 7.6 1.1 150 150 A I H X S+ 0 0 13 -4,-3.4 4,-3.0 1,-0.2 -1,-0.2 0.906 107.7 51.7 -62.6 -46.2 35.9 7.4 -2.4 151 151 A T H X S+ 0 0 36 -4,-2.6 4,-2.9 -5,-0.3 6,-0.4 0.870 107.4 55.0 -59.0 -33.4 38.4 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.942 111.5 43.1 -65.0 -43.0 37.3 2.7 -0.4 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.0 51.5 -68.9 -37.7 33.7 2.9 -1.6 154 154 A R H < S+ 0 0 105 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.922 125.6 20.7 -64.4 -44.7 34.7 2.2 -5.2 155 155 A T H < S- 0 0 39 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.657 84.3-133.6-100.9 -23.3 36.7 -0.9 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.7 2,-0.3 -5,-0.3 -62,-0.2 0.724 75.2 105.7 73.3 18.4 35.6 -2.3 -1.1 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.795 78.5-124.0-125.1 168.1 39.4 -2.6 -0.2 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.3 1,-0.2 4,-1.0 0.148 70.2 122.6 -96.4 18.9 41.8 -0.6 2.1 159 159 A D T 34 + 0 0 108 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.799 66.8 58.7 -54.4 -34.2 44.2 0.1 -0.8 160 160 A A T 34 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.671 112.5 40.4 -70.4 -15.7 44.0 3.9 -0.4 161 161 A Y T X4 S+ 0 0 3 -3,-2.3 3,-0.9 -13,-0.1 2,-0.3 0.453 90.0 105.5-108.7 -7.7 45.2 3.6 3.2 162 162 A K T 3< S+ 0 0 95 -4,-1.0 -3,-0.0 -3,-0.4 0, 0.0 -0.566 83.8 22.2 -77.5 135.4 47.8 0.9 2.7 163 163 A N T 3 0 0 167 -2,-0.3 -1,-0.2 1,-0.0 -4,-0.0 0.787 360.0 360.0 80.8 31.2 51.3 2.3 2.8 164 164 A L < 0 0 126 -3,-0.9 -2,-0.1 0, 0.0 -4,-0.0 0.502 360.0 360.0-110.6 360.0 50.4 5.4 4.8