==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-05 2B75 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.D.COLLINS,M.L.QUILLIN,B.W.MATTHEWS,S.M.GRUNER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8641.0 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 0 1 1 2 0 0 1 1 1 0 0 0 0 0 1 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 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 74 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 153.0 43.2 -1.9 9.0 2 2 A N > - 0 0 66 156,-0.0 4,-2.6 95,-0.0 3,-0.3 -0.936 360.0 -80.5-151.4 177.8 40.0 -0.8 10.6 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.823 125.4 52.1 -53.5 -37.7 37.8 2.4 11.1 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 112.8 41.9 -66.8 -49.8 40.0 3.6 14.0 5 5 A E H > S+ 0 0 99 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.871 115.0 53.8 -65.3 -37.6 43.3 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 3,-0.4 0.971 112.0 42.3 -60.4 -57.9 41.7 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.850 109.9 57.6 -59.3 -35.0 40.4 7.9 10.9 8 8 A R H X S+ 0 0 100 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.867 109.9 45.5 -62.7 -36.6 43.7 8.3 12.8 9 9 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.925 117.9 43.2 -68.6 -46.4 45.5 8.5 9.3 10 10 A D H < S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.802 124.8 31.9 -70.9 -31.6 42.9 10.9 8.0 11 11 A E H < S- 0 0 46 -4,-2.8 19,-0.3 -5,-0.2 -3,-0.2 0.723 90.5-151.5-101.3 -25.3 42.6 13.2 11.0 12 12 A G < - 0 0 24 -4,-1.6 2,-0.3 -5,-0.4 -1,-0.2 -0.298 24.4 -91.5 78.7-177.5 46.1 13.1 12.6 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.952 41.8 172.4-136.7 122.8 46.5 13.6 16.4 14 14 A R E -A 28 0A 144 14,-2.0 14,-2.7 -2,-0.3 4,-0.1 -0.998 19.1-160.9-131.0 132.2 47.1 17.0 18.0 15 15 A L E S+ 0 0 70 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.418 74.9 61.2 -92.5 -2.4 47.2 17.4 21.8 16 16 A K E S-C 57 0B 89 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.930 101.9 -86.0-122.7 151.7 46.7 21.2 21.8 17 17 A I E + 0 0 17 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.270 58.6 167.3 -54.1 135.6 43.6 23.1 20.4 18 18 A Y E -A 26 0A 25 8,-2.8 8,-2.7 6,-0.1 2,-0.4 -0.848 38.2 -99.9-142.9 170.6 44.1 23.7 16.6 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.877 34.6-140.2 -99.2 135.6 42.1 24.9 13.7 20 20 A D > - 0 0 47 4,-2.2 3,-1.6 -2,-0.4 -1,-0.1 -0.006 43.9 -76.1 -79.7-165.5 40.8 22.2 11.3 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.699 134.8 49.5 -74.4 -19.0 40.7 22.6 7.5 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.415 123.0-103.3 -94.2 -2.4 37.6 24.8 7.8 23 23 A G S < S+ 0 0 38 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.625 74.8 141.4 89.4 15.5 39.2 27.0 10.4 24 24 A Y - 0 0 75 1,-0.1 -4,-2.2 9,-0.0 -1,-0.3 -0.783 60.7-101.8 -97.6 136.8 37.3 25.6 13.4 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-2.7 11,-0.4 9,-1.3 -0.298 55.1 161.8 -54.8 127.1 38.7 24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-2.7 -8,-2.8 6,-0.3 2,-0.3 -0.896 18.6-167.1-143.1 159.3 39.4 21.2 17.1 27 27 A I E > - B 0 31A 0 4,-1.9 4,-2.2 -2,-0.3 2,-0.2 -0.981 51.5 -0.1-145.4 161.3 41.5 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-2.0 -2,-0.3 2,-0.9 -0.428 124.0 -4.2 75.4-131.5 42.8 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.684 128.8 -53.4-102.7 72.6 41.8 13.1 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.825 83.9 160.9 65.4 30.9 39.5 15.5 14.7 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-1.9 32,-0.0 -1,-0.2 -0.749 32.1-144.7 -86.9 104.2 37.3 16.3 17.7 32 32 A L E -B 26 0A 70 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.454 19.0-177.0 -69.6 131.1 35.6 19.5 16.7 33 33 A L E - 0 0 13 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.891 59.1 -24.0 -93.7 -49.2 35.0 21.8 19.7 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.951 36.4-138.9-165.7 144.6 33.1 24.7 18.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.468 73.9 111.3 -83.6 -3.4 32.5 26.6 15.1 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.446 74.7-129.3 -75.0 142.0 32.7 29.9 17.0 37 37 A P S S+ 0 0 126 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.369 78.2 105.0 -70.5 6.3 35.7 32.2 16.3 38 38 A S > - 0 0 48 1,-0.2 4,-1.8 -13,-0.0 3,-0.2 -0.790 56.0-162.4-102.2 116.2 36.5 32.4 20.0 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.808 95.9 57.0 -63.1 -27.4 39.4 30.5 21.5 40 40 A N H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 104.1 51.8 -72.4 -36.8 37.8 31.0 24.9 41 41 A A H > S+ 0 0 32 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 111.1 49.0 -59.1 -41.4 34.6 29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.909 109.4 51.2 -63.1 -44.9 36.8 26.4 22.5 43 43 A K H X S+ 0 0 45 -4,-2.3 4,-2.2 1,-0.2 11,-0.3 0.903 111.5 47.7 -63.9 -38.9 38.7 26.1 25.8 44 44 A S H X S+ 0 0 72 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.899 111.2 49.2 -70.9 -39.6 35.4 26.0 27.7 45 45 A E H X S+ 0 0 65 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.895 112.1 52.1 -61.7 -39.0 33.9 23.4 25.3 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.890 107.3 48.9 -63.6 -43.2 37.1 21.4 25.8 47 47 A D H X>S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 5,-1.2 0.906 113.3 48.8 -63.3 -40.7 37.0 21.5 29.6 48 48 A K H <5S+ 0 0 145 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.860 111.1 50.1 -62.9 -41.7 33.4 20.4 29.5 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 122.0 32.6 -63.0 -38.7 34.3 17.5 27.0 50 50 A I H <5S- 0 0 35 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.696 102.9-128.0 -95.6 -24.1 37.2 16.3 29.3 51 51 A G T <5S+ 0 0 66 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.796 76.3 73.9 77.1 30.5 35.7 17.2 32.6 52 52 A R S - 0 0 10 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.746 33.0-144.5 -93.8 -28.0 42.6 21.7 30.6 55 55 A N T 3 S- 0 0 111 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.914 74.6 -57.1 50.6 44.5 43.9 25.1 29.4 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.462 118.2 100.1 78.0 3.2 43.7 23.9 25.8 57 57 A V B < +C 16 0B 73 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.973 44.9 179.1-124.7 138.6 46.0 20.9 26.3 58 58 A I - 0 0 4 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.882 27.8-109.8-130.1 163.7 44.9 17.2 26.7 59 59 A T > - 0 0 68 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.458 32.0-108.5 -87.7 169.4 46.8 13.9 27.1 60 60 A K H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 120.6 54.0 -62.9 -44.5 46.9 11.2 24.5 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 110.1 48.3 -52.2 -45.8 44.6 8.9 26.6 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.898 109.6 51.9 -64.5 -38.8 42.1 11.8 26.7 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -34,-0.5 0.913 111.3 47.8 -63.7 -42.1 42.4 12.3 22.9 64 64 A E H X S+ 0 0 79 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.808 107.7 56.1 -70.7 -30.8 41.7 8.6 22.4 65 65 A K H X S+ 0 0 141 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.945 109.5 44.3 -63.7 -50.2 38.8 8.7 24.7 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.912 112.2 55.2 -56.7 -42.7 37.1 11.5 22.7 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.935 106.7 49.3 -58.1 -50.3 38.0 9.6 19.5 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 113.1 47.7 -55.1 -41.5 36.2 6.4 20.8 69 69 A Q H X S+ 0 0 93 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.871 112.1 49.4 -67.5 -40.0 33.1 8.4 21.6 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.871 111.6 47.8 -71.6 -38.2 33.1 10.2 18.3 71 71 A V H X S+ 0 0 5 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.958 114.1 47.5 -63.9 -47.0 33.5 6.9 16.3 72 72 A D H X S+ 0 0 90 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.938 112.4 49.4 -58.5 -47.5 30.7 5.4 18.4 73 73 A A H X S+ 0 0 42 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.893 109.0 52.4 -61.1 -38.7 28.5 8.5 17.9 74 74 A A H X S+ 0 0 8 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.951 110.7 47.4 -62.0 -48.4 29.1 8.4 14.1 75 75 A V H X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.940 113.2 48.7 -56.5 -46.4 28.0 4.7 13.9 76 76 A R H X S+ 0 0 122 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.871 108.0 54.5 -67.6 -34.5 24.9 5.5 16.0 77 77 A G H < S+ 0 0 3 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.860 108.6 49.4 -63.8 -38.7 24.1 8.5 13.8 78 78 A I H >< S+ 0 0 2 -4,-2.1 3,-1.3 2,-0.2 7,-0.5 0.955 112.3 47.0 -60.3 -49.7 24.1 6.3 10.7 79 79 A L H 3< S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.799 112.9 49.2 -70.6 -24.7 21.9 3.6 12.4 80 80 A R T 3< S+ 0 0 172 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.3 0.506 93.9 90.7 -86.1 -9.3 19.4 6.2 13.6 81 81 A N <> - 0 0 21 -3,-1.3 4,-2.9 -4,-0.4 -4,-0.0 -0.819 66.5-151.6 -99.8 122.8 19.2 7.9 10.2 82 82 A A T 4 S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.714 97.9 43.7 -67.3 -19.6 16.5 6.6 7.8 83 83 A K T > S+ 0 0 144 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.814 120.0 39.1 -91.4 -33.7 18.5 7.5 4.7 84 84 A L H > S+ 0 0 7 -7,-0.2 4,-2.7 -6,-0.2 5,-0.2 0.875 104.0 66.7 -83.7 -39.6 21.9 6.3 5.9 85 85 A K H X S+ 0 0 86 -4,-2.9 4,-2.7 -7,-0.5 5,-0.2 0.919 99.9 46.5 -55.9 -53.4 20.9 3.1 7.7 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.893 114.2 49.6 -62.2 -29.9 19.6 1.1 4.7 87 87 A V H X S+ 0 0 8 -4,-0.6 4,-0.8 -3,-0.2 -2,-0.2 0.939 112.4 46.8 -67.0 -46.6 22.7 2.0 2.7 88 88 A Y H >< S+ 0 0 31 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.928 109.6 53.7 -62.6 -43.7 25.1 1.0 5.5 89 89 A D H 3< S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 106.8 53.7 -59.8 -32.4 23.3 -2.3 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.667 96.0 88.9 -74.8 -20.8 23.7 -3.2 2.5 91 91 A L S << S- 0 0 5 -3,-1.1 31,-0.0 -4,-0.8 2,-0.0 -0.451 76.6-116.1 -83.8 150.6 27.5 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.238 43.7 -92.1 -71.3 174.2 30.4 -5.0 3.2 93 93 A A H > S+ 0 0 82 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.829 122.5 48.6 -64.3 -39.4 32.7 -4.3 6.2 94 94 A V H >> S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.967 113.4 46.1 -68.8 -51.4 35.4 -2.3 4.4 95 95 A R H 3> S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.829 105.0 62.2 -61.6 -32.0 32.8 0.0 2.7 96 96 A R H 3X S+ 0 0 80 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.910 100.6 54.2 -55.5 -39.6 31.0 0.5 6.0 97 97 A A H S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.827 129.0 51.4 -66.8 -31.7 25.0 12.7 9.5 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.886 108.9 51.7 -69.5 -40.3 23.0 15.5 7.8 110 110 A G H >4 S+ 0 0 31 -4,-0.5 3,-1.2 2,-0.2 -2,-0.2 0.964 113.8 42.2 -58.8 -55.7 25.9 16.3 5.5 111 111 A V H >< S+ 0 0 6 -4,-2.1 3,-2.6 1,-0.3 -2,-0.2 0.915 106.2 61.8 -60.6 -45.1 26.3 12.7 4.3 112 112 A A H 3< S+ 0 0 21 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.664 94.7 66.2 -57.2 -16.3 22.5 12.2 4.0 113 113 A G T << S+ 0 0 56 -3,-1.2 2,-0.9 -4,-0.6 3,-0.3 0.511 76.9 84.0 -76.8 -8.5 22.6 15.0 1.4 114 114 A F <> + 0 0 35 -3,-2.6 4,-2.5 1,-0.2 3,-0.3 -0.236 57.9 153.6 -87.7 50.2 24.6 12.7 -0.9 115 115 A T H > + 0 0 86 -2,-0.9 4,-1.7 1,-0.3 -1,-0.2 0.800 67.1 43.7 -52.6 -45.2 21.2 11.3 -2.1 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.877 114.2 49.3 -70.4 -41.5 22.4 10.1 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.885 109.6 52.9 -62.9 -43.1 25.7 8.6 -4.3 118 118 A L H X S+ 0 0 19 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.903 108.6 50.5 -60.9 -42.7 23.9 6.7 -1.5 119 119 A R H X S+ 0 0 127 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.943 111.8 46.4 -60.9 -47.8 21.5 5.2 -4.1 120 120 A M H <>S+ 0 0 30 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.878 112.4 51.6 -63.3 -36.5 24.4 4.1 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.967 108.4 50.5 -65.4 -47.8 26.2 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.864 112.2 47.8 -52.9 -38.8 23.1 0.7 -2.3 123 123 A Q T 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.433 112.3-123.1 -82.3 -3.6 22.9 -0.6 -5.9 124 124 A K T < 5 + 0 0 99 -3,-1.8 2,-1.3 -4,-0.4 -3,-0.2 0.808 60.8 148.2 61.0 36.1 26.6 -1.5 -5.8 125 125 A R >< + 0 0 118 -5,-2.4 4,-2.4 1,-0.2 -1,-0.2 -0.691 21.4 173.4 -93.5 78.2 27.3 0.6 -8.8 126 126 A W H > + 0 0 51 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.863 67.1 46.8 -65.1 -44.4 30.8 1.4 -7.5 127 127 A D H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 115.2 48.6 -68.1 -37.6 32.5 3.3 -10.3 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.888 110.4 49.6 -67.4 -41.5 29.4 5.5 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.899 109.6 53.2 -59.8 -43.6 29.1 6.3 -7.0 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.889 109.7 47.7 -60.8 -46.4 32.8 7.2 -7.0 131 131 A V H X S+ 0 0 88 -4,-1.9 4,-0.5 2,-0.2 3,-0.2 0.933 115.6 44.4 -57.5 -48.7 32.3 9.6 -9.9 132 132 A N H >< S+ 0 0 40 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.896 107.8 58.0 -67.7 -38.9 29.3 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.2 -1,-0.2 0.841 103.0 56.1 -56.5 -35.3 31.0 11.4 -4.7 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.7 -3,-0.2 -1,-0.2 0.625 85.7 79.8 -75.3 -19.2 33.7 13.5 -6.3 135 135 A K S << S+ 0 0 158 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.589 82.1 100.5 -84.4 69.8 31.3 16.1 -7.6 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.992 85.4-118.3-153.2 151.5 31.1 17.7 -4.2 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.915 115.6 63.0 -55.8 -41.8 32.5 20.6 -2.1 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.920 105.7 41.9 -45.4 -57.7 33.9 17.8 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.6 49.7 -62.4 -42.4 36.1 16.5 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 115.8 42.2 -70.1 -31.4 37.2 20.0 -3.9 141 141 A Q H < S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.861 132.7 19.0 -82.5 -38.8 38.1 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 -0.635 73.5 162.0-130.9 71.2 39.9 18.1 0.9 143 143 A P H > S+ 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.874 70.5 52.1 -63.6 -40.6 40.8 16.1 -2.3 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.943 116.5 39.3 -64.7 -45.9 43.5 13.8 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.936 116.5 50.6 -66.6 -46.6 41.3 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.920 108.7 53.3 -59.5 -43.8 38.2 12.4 -0.1 147 147 A K H X S+ 0 0 94 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.890 107.8 50.6 -55.1 -42.1 40.1 10.4 -2.8 148 148 A R H X S+ 0 0 66 -4,-1.6 4,-1.3 -5,-0.2 12,-0.2 0.914 114.5 43.5 -64.2 -41.8 41.2 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.898 113.9 50.3 -70.3 -43.6 37.5 7.4 1.1 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.912 108.8 52.2 -62.2 -41.6 36.1 7.3 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.5 -5,-0.2 6,-0.3 0.853 107.0 53.9 -61.5 -35.1 38.7 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.924 111.8 43.4 -67.9 -44.4 37.6 2.6 -0.4 153 153 A F H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.7 50.3 -65.9 -38.0 34.0 2.7 -1.6 154 154 A R H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.913 125.9 21.2 -68.1 -41.8 35.0 2.0 -5.2 155 155 A T H < S- 0 0 40 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.665 84.9-135.1-102.4 -24.4 37.2 -1.1 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.796 73.3 103.9 66.0 27.0 36.1 -2.4 -1.1 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.821 79.8-121.0-131.0 170.4 39.8 -2.8 -0.1 158 158 A W S >> S+ 0 0 40 -2,-0.3 3,-2.5 1,-0.2 4,-0.6 0.205 71.9 121.5 -94.5 14.2 42.2 -0.8 2.2 159 159 A D G >4 + 0 0 94 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.795 67.6 56.1 -49.8 -40.4 44.6 -0.1 -0.7 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.664 109.8 49.1 -67.7 -13.7 44.4 3.7 -0.4 161 161 A Y G <4 0 0 16 -3,-2.5 -1,-0.2 -13,-0.1 -2,-0.2 0.507 360.0 360.0-104.8 -4.4 45.5 3.4 3.2 162 162 A K << 0 0 176 -3,-1.0 -3,-0.1 -4,-0.6 -2,-0.1 0.452 360.0 360.0-109.3 360.0 48.5 1.1 2.8