==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-96 212L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR I.R.VETTER,W.A.BAASE,D.W.HEINZ,J.-P.XIONG,S.SNOW, . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 71.3 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 7.2 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 52.1 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.2 43.4 -1.9 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.926 360.0 -79.7-151.3 179.6 40.1 -0.7 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.799 125.3 50.8 -57.0 -38.8 38.1 2.4 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 113.1 43.9 -69.0 -44.9 40.2 3.7 14.1 5 5 A E H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.886 114.7 52.0 -63.0 -41.5 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.935 113.0 41.5 -62.2 -52.2 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.4 0.854 108.7 60.7 -68.6 -29.4 40.6 7.9 10.9 8 8 A R H X S+ 0 0 66 -4,-2.2 4,-1.7 -5,-0.3 158,-0.2 0.912 107.4 46.7 -62.1 -33.1 43.8 8.2 12.9 9 9 A I H < S+ 0 0 18 -4,-1.7 157,-0.2 1,-0.2 -2,-0.2 0.957 116.1 44.3 -70.3 -45.0 45.7 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.788 124.8 30.3 -73.0 -32.1 43.2 11.0 8.1 11 11 A E H < S- 0 0 49 -4,-2.6 19,-0.4 -5,-0.2 -1,-0.2 0.676 90.7-153.3-101.3 -25.2 42.9 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.255 25.9 -88.0 77.7-171.8 46.3 13.0 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.965 42.4 174.0-141.2 122.2 46.7 13.5 16.6 14 14 A R E -A 28 0A 145 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -1.000 18.0-162.9-130.6 131.1 47.4 16.9 18.3 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.503 74.2 62.6 -92.6 -5.3 47.4 17.3 22.0 16 16 A K E S-C 57 0B 89 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.889 102.0 -85.8-118.3 149.0 47.0 21.1 22.0 17 17 A I E + 0 0 13 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.285 59.0 170.3 -51.7 131.9 44.0 23.0 20.6 18 18 A Y E -A 26 0A 24 8,-3.1 8,-3.1 -4,-0.1 2,-0.4 -0.847 35.4-103.3-138.3 172.8 44.5 23.6 16.9 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.865 33.4-140.6-101.4 134.4 42.5 24.9 13.9 20 20 A D > - 0 0 49 4,-2.6 3,-1.7 -2,-0.4 -1,-0.1 -0.055 41.8 -78.3 -78.5-169.4 41.1 22.4 11.5 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.774 134.4 48.2 -64.5 -26.5 41.0 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 0.437 123.7-103.9 -90.3 -2.4 37.9 25.1 8.0 23 23 A G S < S+ 0 0 34 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.605 74.4 142.1 88.0 18.4 39.6 27.1 10.7 24 24 A Y - 0 0 77 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.728 59.1-101.7 -97.0 145.5 37.6 25.7 13.6 25 25 A Y E +AB 19 34A 37 9,-0.6 8,-2.8 11,-0.4 9,-1.4 -0.381 54.6 158.5 -64.1 127.4 39.0 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.1 6,-0.3 2,-0.3 -0.893 19.9-166.3-141.2 166.9 39.7 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.2 -2,-0.3 2,-0.2 -0.985 51.5 2.9-152.2 165.6 41.8 18.9 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-1.0 -0.466 123.1 -4.7 68.2-133.4 43.0 15.3 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.687 129.1 -52.9 -99.9 70.7 42.0 13.1 16.7 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.797 83.4 163.4 69.0 29.7 39.8 15.5 14.8 31 31 A H E < -B 27 0A 30 -4,-2.2 -4,-1.8 1,-0.0 -1,-0.2 -0.693 31.0-143.1 -86.2 103.0 37.6 16.3 17.8 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.361 20.3-178.7 -64.9 126.4 35.7 19.5 16.9 33 33 A L E - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.887 57.6 -29.5 -93.0 -47.0 35.4 21.8 19.9 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.976 34.2-135.2-166.7 155.1 33.4 24.7 18.5 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.504 73.9 113.8 -94.9 -4.1 32.8 26.7 15.5 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.362 70.8-133.9 -68.9 144.3 33.1 29.9 17.5 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.533 77.5 102.0 -77.3 -3.0 36.0 32.2 16.7 38 38 A S > - 0 0 49 1,-0.2 4,-2.1 2,-0.0 5,-0.1 -0.725 58.2-160.0 -91.1 124.1 36.8 32.5 20.4 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.834 96.6 57.6 -65.4 -32.3 39.6 30.5 21.9 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.929 103.8 49.9 -63.6 -47.7 38.1 31.0 25.2 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.931 111.7 50.9 -54.0 -44.5 34.9 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 108.9 49.7 -61.3 -43.8 37.0 26.5 22.7 43 43 A K H X S+ 0 0 52 -4,-2.7 4,-2.3 1,-0.2 11,-0.3 0.885 109.9 52.4 -67.5 -31.6 38.8 26.1 26.0 44 44 A S H X S+ 0 0 71 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.930 109.3 47.3 -67.7 -46.3 35.6 26.1 27.8 45 45 A E H X S+ 0 0 68 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.901 111.3 53.1 -61.5 -38.7 34.2 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.936 108.9 47.8 -62.5 -45.4 37.4 21.4 26.0 47 47 A D H X>S+ 0 0 31 -4,-2.3 4,-2.5 1,-0.2 5,-1.0 0.934 112.4 50.7 -60.8 -41.7 37.2 21.5 29.9 48 48 A K H <5S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.862 111.7 46.9 -62.2 -40.2 33.6 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.859 119.9 38.9 -71.8 -34.2 34.4 17.5 27.5 50 50 A I H <5S- 0 0 34 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.681 100.3-128.2 -88.6 -28.6 37.4 16.3 29.6 51 51 A G T <5S+ 0 0 69 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.743 77.4 75.7 84.9 18.9 36.0 17.0 33.0 52 52 A R S - 0 0 9 -2,-1.0 3,-1.3 -11,-0.3 -1,-0.2 0.728 32.6-143.1 -89.2 -26.3 42.9 21.7 30.9 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.890 73.6 -61.3 62.9 31.2 44.3 25.0 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.555 115.9 102.4 74.1 7.0 44.0 23.7 26.2 57 57 A V B < +C 16 0B 72 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.977 44.2 178.0-125.5 137.8 46.3 20.7 26.6 58 58 A I - 0 0 4 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.857 26.4-111.6-130.2 166.7 45.3 17.1 27.0 59 59 A T > - 0 0 61 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.487 33.3-104.4 -93.2 169.9 47.1 13.8 27.3 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 120.6 51.6 -59.2 -43.9 47.1 11.0 24.8 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 109.1 50.5 -61.1 -40.7 44.7 8.9 26.8 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 110.4 50.0 -62.1 -43.1 42.3 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.907 111.4 49.4 -60.4 -43.0 42.6 12.2 23.2 64 64 A E H X S+ 0 0 72 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.842 107.9 53.7 -67.7 -30.7 41.9 8.5 22.7 65 65 A K H X S+ 0 0 140 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.952 109.5 46.4 -72.5 -42.5 38.9 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.912 111.9 54.6 -60.5 -39.7 37.3 11.4 23.0 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.943 106.6 48.7 -60.9 -47.7 38.2 9.5 19.8 68 68 A N H X S+ 0 0 97 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.920 112.5 49.1 -57.6 -44.3 36.4 6.4 20.9 69 69 A Q H X S+ 0 0 99 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.890 111.1 51.2 -59.9 -43.0 33.3 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.903 110.7 46.1 -63.1 -41.0 33.4 10.1 18.5 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.949 113.3 51.3 -67.0 -43.6 33.6 6.9 16.5 72 72 A D H X S+ 0 0 79 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.927 109.8 48.8 -56.4 -49.8 30.8 5.5 18.6 73 73 A A H X S+ 0 0 61 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.847 108.3 53.7 -60.4 -39.0 28.7 8.5 18.0 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.950 109.9 48.1 -62.7 -44.4 29.2 8.3 14.2 75 75 A V H X S+ 0 0 30 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.945 112.6 48.6 -60.4 -43.9 28.1 4.7 14.1 76 76 A R H X S+ 0 0 144 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.922 107.1 54.7 -66.8 -34.1 25.1 5.5 16.1 77 77 A G H X S+ 0 0 3 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.916 108.9 50.2 -61.5 -44.3 24.2 8.4 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 7,-0.4 0.954 110.8 47.2 -58.4 -52.4 24.3 6.2 10.9 79 79 A L H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.783 112.8 49.8 -66.2 -24.8 22.1 3.5 12.5 80 80 A R H 3< S+ 0 0 172 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.510 92.6 91.7 -86.4 -13.2 19.6 6.1 13.7 81 81 A N S+ 0 0 113 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.789 119.5 42.3 -87.1 -33.7 18.6 7.4 4.9 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.6 -6,-0.2 5,-0.2 0.873 101.3 64.0 -81.4 -43.9 22.0 6.1 6.1 85 85 A K H X S+ 0 0 83 -4,-2.6 4,-3.2 -7,-0.4 5,-0.2 0.890 99.9 51.0 -51.7 -46.2 21.1 2.9 7.8 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.911 112.7 47.7 -65.0 -34.8 19.9 1.1 4.7 87 87 A V H X S+ 0 0 1 -4,-0.6 4,-0.9 2,-0.2 3,-0.3 0.961 112.9 48.4 -65.4 -50.8 23.1 2.0 2.8 88 88 A Y H >< S+ 0 0 37 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.941 110.8 51.2 -54.0 -47.4 25.3 1.0 5.8 89 89 A D H 3< S+ 0 0 75 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.5 54.0 -63.1 -28.9 23.4 -2.4 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.671 96.2 88.9 -78.3 -18.0 23.9 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 31,-0.0 -4,-0.9 2,-0.0 -0.511 74.4-117.7 -88.8 158.1 27.7 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.213 44.4 -92.8 -76.3 169.4 30.6 -4.9 3.1 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.867 121.7 47.1 -57.1 -43.6 33.0 -4.3 6.1 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 114.0 46.8 -67.4 -44.4 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.832 104.8 61.2 -69.6 -29.4 33.1 0.1 2.7 96 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.932 102.5 53.1 -58.4 -40.0 31.2 0.5 5.9 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.876 104.5 54.5 -63.2 -38.4 34.3 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.894 108.6 49.1 -62.3 -39.2 34.4 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.902 109.4 51.3 -66.1 -40.7 30.9 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.935 106.5 56.4 -60.4 -42.4 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.926 107.2 46.9 -53.8 -50.8 34.7 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.902 112.9 49.4 -62.3 -41.5 32.6 10.6 6.0 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.910 109.5 52.3 -65.2 -36.8 30.0 10.8 8.9 104 104 A F H < S+ 0 0 31 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.954 116.2 40.8 -62.6 -44.0 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.913 133.5 15.9 -67.8 -50.2 34.1 14.2 9.1 106 106 A M H X S- 0 0 55 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.424 103.0-117.0-107.6 -10.2 30.9 15.9 8.0 107 107 A G H X - 0 0 30 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.176 36.0 -74.0 82.0 156.7 28.2 14.7 10.4 108 108 A E H > S+ 0 0 43 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.881 129.5 51.0 -49.8 -53.6 25.1 12.6 9.7 109 109 A T H > S+ 0 0 120 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.928 108.9 50.6 -56.1 -48.5 23.2 15.4 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.8 1,-0.2 4,-0.3 0.948 116.0 40.5 -60.2 -50.1 25.9 16.3 5.7 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.4 1,-0.2 -1,-0.2 0.905 106.5 62.7 -66.5 -39.4 26.3 12.8 4.5 112 112 A A H 3< S+ 0 0 6 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 95.1 66.8 -57.3 -21.9 22.6 12.2 4.4 113 113 A G T << S+ 0 0 52 -4,-1.1 2,-2.0 -3,-0.8 -1,-0.3 0.635 74.6 86.8 -72.3 -16.0 22.5 15.0 1.8 114 114 A F <> + 0 0 41 -3,-2.4 4,-2.5 -4,-0.3 5,-0.2 -0.326 54.5 158.7 -84.4 59.4 24.5 12.9 -0.8 115 115 A T H > + 0 0 80 -2,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.875 66.1 45.2 -50.6 -56.1 21.3 11.4 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.907 115.1 48.1 -61.0 -41.2 22.5 10.3 -5.5 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 109.0 54.0 -64.2 -43.5 25.8 8.8 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.897 108.6 49.4 -57.6 -41.7 24.0 6.9 -1.4 119 119 A R H X S+ 0 0 114 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.923 110.8 50.0 -64.4 -44.5 21.7 5.4 -4.0 120 120 A M H <>S+ 0 0 18 -4,-2.0 5,-2.4 1,-0.2 4,-0.4 0.911 111.0 48.1 -61.7 -44.5 24.6 4.4 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.920 109.9 52.6 -62.0 -43.5 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.896 110.2 48.8 -58.3 -36.9 23.3 1.0 -2.3 123 123 A Q T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.425 113.6-120.3 -81.1 -2.2 23.1 -0.3 -5.8 124 124 A K T < 5 + 0 0 100 -3,-1.6 2,-1.2 -4,-0.4 -3,-0.2 0.779 63.3 146.7 65.2 30.5 26.7 -1.4 -5.8 125 125 A R >< + 0 0 117 -5,-2.4 4,-2.7 1,-0.2 5,-0.2 -0.663 19.8 172.5 -96.3 75.2 27.5 0.9 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.876 69.5 44.1 -57.5 -52.6 31.1 1.7 -7.5 127 127 A D H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 115.6 49.3 -63.4 -41.8 32.5 3.6 -10.4 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.909 111.2 48.9 -62.0 -46.2 29.4 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.908 107.7 55.8 -58.5 -42.1 29.3 6.5 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.899 109.1 46.9 -62.3 -36.0 33.0 7.5 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.923 114.4 46.0 -70.3 -45.4 32.4 10.0 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.911 108.7 55.2 -62.9 -43.6 29.3 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 1,-0.3 -1,-0.2 0.831 102.4 59.2 -57.2 -35.8 31.1 11.6 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.7 -5,-0.2 -1,-0.3 0.677 86.0 78.8 -69.6 -19.2 33.8 13.7 -6.4 135 135 A K S << S+ 0 0 156 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 -0.538 81.0 97.6 -86.7 72.6 31.4 16.4 -7.6 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.998 85.0-116.1-155.4 155.5 31.2 18.0 -4.1 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.898 115.2 63.1 -59.6 -38.2 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.943 105.4 42.3 -51.9 -51.9 34.0 18.0 0.1 139 139 A Y H 4 S+ 0 0 64 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.9 49.4 -63.2 -42.7 36.3 16.6 -2.6 140 140 A N H < S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.9 42.4 -67.8 -35.4 37.3 20.1 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 132.7 18.1 -78.7 -41.8 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 23 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.575 74.3 161.5-131.0 69.8 40.0 18.2 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.824 68.6 53.5 -61.8 -40.1 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.923 115.9 39.8 -69.7 -36.0 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.927 115.4 52.3 -71.8 -45.1 41.4 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -8,-0.2 5,-0.2 0.933 107.0 53.8 -54.1 -46.1 38.4 12.6 -0.3 147 147 A K H X S+ 0 0 88 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.893 107.6 51.0 -55.5 -43.3 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 52 -4,-1.5 4,-1.4 2,-0.2 12,-0.2 0.940 113.3 43.4 -62.4 -45.9 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.912 114.3 50.2 -67.4 -42.7 37.7 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.906 109.1 51.4 -64.4 -38.7 36.4 7.4 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.5 4,-2.6 -5,-0.2 6,-0.3 0.830 107.3 54.3 -64.9 -33.3 39.0 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.900 110.7 44.5 -66.8 -43.0 37.9 2.7 -0.7 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.885 114.9 50.9 -66.8 -36.2 34.3 2.8 -1.9 154 154 A R H < S+ 0 0 100 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 125.3 22.1 -65.5 -46.3 35.5 2.1 -5.4 155 155 A T H < S- 0 0 46 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.655 84.7-135.8 -97.3 -28.1 37.6 -0.9 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.744 73.6 102.5 72.0 19.1 36.3 -2.3 -1.3 157 157 A T S S- 0 0 46 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.840 80.0-119.9-126.1 172.3 40.0 -2.7 -0.2 158 158 A W S >> S+ 0 0 41 -2,-0.3 3,-2.2 1,-0.2 4,-0.8 0.169 71.9 121.4 -95.4 15.4 42.4 -0.7 2.1 159 159 A D G >4 + 0 0 87 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.803 66.0 59.3 -53.4 -32.6 44.8 0.0 -0.6 160 160 A A G 34 S+ 0 0 22 -3,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.692 113.2 39.8 -70.5 -17.0 44.6 3.8 -0.3 161 161 A Y G <4 S+ 0 0 4 -3,-2.2 2,-1.1 1,-0.1 3,-0.5 0.498 85.7 100.4-109.1 -6.3 45.7 3.6 3.2 162 162 A K S << S+ 0 0 119 -4,-0.8 -1,-0.1 -3,-0.6 -2,-0.1 -0.070 89.5 30.9 -79.9 43.1 48.4 0.9 3.0 163 163 A N S S+ 0 0 131 -2,-1.1 -1,-0.2 -3,-0.1 -2,-0.1 0.398 96.4 103.5-159.4 -23.9 51.5 3.1 3.0 164 164 A L - 0 0 62 -3,-0.5 -3,-0.1 -4,-0.1 3,-0.0 0.340 67.6 -81.6 -69.1-170.3 50.8 6.3 5.0 165 165 A A S S+ 0 0 81 1,-0.2 -156,-0.1 -156,-0.1 -155,-0.1 0.975 99.7 52.3 -53.7-108.9 51.3 8.1 8.3 166 166 A A 0 0 32 -158,-0.2 -1,-0.2 -157,-0.2 -157,-0.1 0.532 360.0 360.0 -10.8 -43.0 49.3 7.4 11.5 167 167 A A 0 0 88 -162,-0.1 -1,-0.1 -161,-0.1 -161,-0.1 -0.162 360.0 360.0-161.1 360.0 50.1 3.8 11.1