==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1C66 . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 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 82 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.1 43.3 -1.9 8.9 2 2 A N > - 0 0 66 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.918 360.0 -83.2-150.5 177.2 40.1 -0.8 10.7 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.857 124.9 52.0 -53.3 -42.0 38.0 2.3 11.1 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.959 112.9 43.6 -61.4 -52.8 40.1 3.6 14.0 5 5 A E H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.896 114.1 52.1 -58.8 -42.5 43.4 3.2 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.930 113.7 40.7 -63.8 -47.5 41.9 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.800 109.9 58.8 -72.2 -25.7 40.5 7.8 10.6 8 8 A R H X S+ 0 0 96 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.897 109.8 46.8 -70.0 -32.0 43.7 8.2 12.8 9 9 A I H < S+ 0 0 85 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.937 115.2 43.4 -73.2 -47.2 45.4 8.4 9.5 10 10 A D H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.812 125.0 32.0 -68.1 -30.4 43.0 10.8 7.9 11 11 A E H < S- 0 0 43 -4,-2.8 19,-0.4 1,-0.2 -3,-0.2 0.687 91.2-153.5-101.9 -23.3 42.6 13.2 10.9 12 12 A G < - 0 0 24 -4,-1.5 2,-0.3 -5,-0.4 -1,-0.2 -0.284 23.0 -87.0 77.2-170.5 46.0 13.0 12.6 13 13 A L + 0 0 48 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.856 41.1 172.6-149.0 111.1 46.6 13.6 16.3 14 14 A R E -A 28 0A 125 14,-1.7 14,-2.1 -2,-0.3 4,-0.1 -0.976 20.2-161.0-121.6 131.4 47.2 17.0 18.0 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.8 12,-0.2 2,-0.3 0.441 75.3 63.3 -89.0 -2.9 47.3 17.6 21.7 16 16 A K E S-C 57 0B 127 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.926 98.3 -89.8-123.5 141.1 46.7 21.3 21.5 17 17 A I E + 0 0 10 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.255 57.1 169.6 -51.6 129.2 43.8 23.2 20.3 18 18 A Y E -A 26 0A 35 8,-3.5 8,-3.4 -4,-0.1 2,-0.4 -0.844 34.7-106.0-135.6 173.0 44.2 23.9 16.6 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.786 31.8-136.3 -98.2 141.0 42.2 25.2 13.6 20 20 A D > - 0 0 51 4,-1.9 3,-1.8 -2,-0.4 -1,-0.1 -0.181 40.4 -83.9 -83.5-173.4 41.0 22.8 11.0 21 21 A T T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 136.7 51.0 -63.0 -18.5 41.3 23.4 7.2 22 22 A E T 3 S- 0 0 83 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.547 123.1-109.1 -90.4 -14.4 38.1 25.3 7.7 23 23 A G S < S+ 0 0 24 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.632 70.4 141.6 89.6 25.4 39.5 27.4 10.6 24 24 A Y - 0 0 82 1,-0.1 -4,-1.9 9,-0.0 -1,-0.3 -0.819 59.0-100.7-104.8 142.9 37.5 25.8 13.3 25 25 A Y E +AB 19 34A 36 9,-0.9 8,-2.7 11,-0.5 9,-1.7 -0.346 54.5 159.5 -64.0 127.1 38.7 25.0 16.7 26 26 A T E -AB 18 32A 5 -8,-3.4 -8,-3.5 6,-0.3 2,-0.3 -0.940 20.2-168.8-145.8 162.1 39.6 21.4 17.1 27 27 A I E > - B 0 31A 0 4,-2.0 4,-2.0 -2,-0.3 -12,-0.2 -0.947 50.1 -0.9-149.5 168.0 41.6 19.1 19.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.7 -2,-0.3 2,-1.0 -0.208 119.8 -6.3 58.3-124.8 42.9 15.4 19.2 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.610 130.1 -48.2-100.8 71.0 41.9 13.2 16.4 30 30 A G T 4 S+ 0 0 17 -2,-1.0 2,-1.2 -19,-0.4 -2,-0.2 0.750 84.2 160.2 77.3 17.9 39.6 15.3 14.5 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-2.0 1,-0.1 2,-0.3 -0.619 33.4-143.5 -84.8 96.8 37.5 16.4 17.4 32 32 A L E -B 26 0A 74 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.308 19.6-178.4 -53.7 116.3 35.6 19.6 16.4 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.955 57.3 -27.0 -83.9 -54.4 35.5 21.9 19.4 34 34 A T E -B 25 0A 26 -9,-1.7 -9,-0.9 2,-0.1 -1,-0.3 -0.998 31.1-138.3-160.4 159.5 33.5 24.7 18.0 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.689 77.1 101.4 -88.1 -25.6 32.5 26.8 15.0 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.5 -3,-0.1 -2,-0.1 -0.227 74.5-130.9 -66.0 155.1 32.9 30.0 16.9 37 37 A P S S+ 0 0 113 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.644 75.0 107.3 -74.4 -22.9 35.8 32.3 16.6 38 38 A S > - 0 0 50 1,-0.2 4,-2.6 2,-0.1 5,-0.1 -0.447 51.0-166.7 -71.2 112.4 36.3 32.6 20.2 39 39 A L H > S+ 0 0 69 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.814 94.7 57.7 -67.3 -21.9 39.3 30.7 21.3 40 40 A N H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 103.6 51.5 -69.8 -42.7 37.9 31.3 24.7 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.945 106.9 55.6 -53.9 -45.8 34.8 29.5 23.6 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.893 105.6 49.3 -57.7 -43.9 37.0 26.8 22.4 43 43 A K H X S+ 0 0 68 -4,-2.0 4,-4.2 2,-0.2 11,-0.3 0.927 110.3 51.4 -62.9 -41.0 38.7 26.2 25.8 44 44 A S H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.3 5,-0.2 0.939 111.4 46.4 -58.0 -53.1 35.4 26.1 27.6 45 45 A E H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.908 114.3 50.1 -58.6 -43.7 34.0 23.5 25.2 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.936 110.4 48.4 -64.2 -41.9 37.3 21.7 25.7 47 47 A D H X>S+ 0 0 31 -4,-4.2 4,-2.7 1,-0.2 5,-1.4 0.921 112.4 49.0 -62.3 -37.2 37.1 21.8 29.4 48 48 A K H <5S+ 0 0 140 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.814 111.1 50.7 -66.7 -36.2 33.5 20.6 29.3 49 49 A A H <5S+ 0 0 43 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.931 118.8 35.4 -68.7 -47.0 34.4 17.8 27.1 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.803 101.5-126.1 -82.3 -34.4 37.3 16.6 29.2 51 51 A G T <5S+ 0 0 68 -4,-2.7 2,-0.3 1,-0.4 -3,-0.2 0.701 79.2 64.1 93.0 20.2 35.9 17.3 32.6 52 52 A R S - 0 0 10 -2,-0.8 3,-1.0 -11,-0.3 -1,-0.2 0.723 34.7-143.3 -94.4 -26.1 42.9 21.7 30.4 55 55 A N T 3 S- 0 0 112 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.897 72.3 -50.0 63.0 41.1 43.8 25.1 29.6 56 56 A G T 3 S+ 0 0 4 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.461 120.9 93.8 79.1 0.7 43.8 24.1 25.9 57 57 A V B < +C 16 0B 72 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.975 46.5 178.8-133.7 136.4 46.0 21.0 26.2 58 58 A I - 0 0 5 -43,-2.8 2,-0.2 -2,-0.4 -30,-0.1 -0.853 27.0-109.2-129.3 168.9 45.2 17.3 26.7 59 59 A T > - 0 0 57 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.517 33.8-107.3 -93.4 168.0 46.9 14.1 27.0 60 60 A K H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.850 121.7 55.3 -51.8 -44.4 47.1 11.2 24.4 61 61 A D H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 106.4 49.4 -55.6 -50.6 44.8 9.3 26.6 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.865 110.3 50.8 -58.5 -44.2 42.2 12.0 26.6 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.873 108.9 51.0 -62.0 -40.1 42.4 12.4 22.8 64 64 A E H X S+ 0 0 83 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.840 109.0 53.1 -68.2 -33.2 41.8 8.6 22.4 65 65 A K H X S+ 0 0 142 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.957 109.4 46.0 -66.2 -53.4 38.8 8.8 24.7 66 66 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.876 113.7 52.1 -53.8 -40.3 37.2 11.6 22.7 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.928 106.2 51.5 -61.5 -48.8 38.0 9.6 19.6 68 68 A N H X S+ 0 0 92 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 113.4 46.4 -51.7 -43.9 36.4 6.4 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.892 111.0 51.8 -65.2 -46.3 33.3 8.4 21.7 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.867 111.2 45.7 -61.2 -46.3 33.3 10.1 18.3 71 71 A V H X S+ 0 0 5 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.965 114.9 49.3 -64.3 -47.4 33.5 6.8 16.4 72 72 A D H X S+ 0 0 83 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.955 111.4 47.1 -58.7 -48.4 30.8 5.3 18.5 73 73 A A H X S+ 0 0 47 -4,-3.0 4,-3.0 2,-0.2 -1,-0.3 0.913 110.4 54.5 -60.1 -39.7 28.5 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.965 110.4 46.5 -58.7 -48.1 29.2 8.1 14.3 75 75 A V H X S+ 0 0 33 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.925 113.4 47.1 -58.5 -48.0 28.2 4.5 14.2 76 76 A R H X S+ 0 0 123 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.888 107.8 58.1 -67.4 -33.1 25.1 5.1 16.3 77 77 A G H >X S+ 0 0 4 -4,-3.0 3,-1.9 -5,-0.3 4,-0.9 0.990 106.4 46.1 -59.4 -53.2 24.2 8.0 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 7,-0.4 0.945 108.9 58.0 -48.8 -51.3 24.1 6.0 11.0 79 79 A L H 3< S+ 0 0 63 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.524 113.6 37.1 -62.2 -9.7 22.1 3.3 12.6 80 80 A R H << S+ 0 0 185 -3,-1.9 2,-0.5 -4,-0.8 -1,-0.3 0.307 95.4 98.0-119.7 -4.0 19.4 5.6 13.6 81 81 A N S+ 0 0 144 1,-0.1 4,-0.6 2,-0.1 -1,-0.2 0.945 123.0 46.4 -76.1 -39.8 18.4 7.4 4.7 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.765 95.7 64.3 -64.1 -52.7 21.6 5.9 6.2 85 85 A K H X S+ 0 0 88 -4,-2.9 4,-2.9 -7,-0.4 5,-0.2 0.900 100.9 50.3 -49.6 -48.6 20.9 2.7 7.9 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.890 110.8 50.0 -64.1 -37.4 19.7 0.7 4.9 87 87 A V H >X S+ 0 0 2 -4,-0.6 4,-1.0 1,-0.2 3,-0.6 0.971 111.9 48.2 -62.3 -50.3 22.8 1.7 2.9 88 88 A Y H >< S+ 0 0 29 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.907 110.1 50.3 -56.6 -45.9 25.0 0.7 5.7 89 89 A D H 3< S+ 0 0 69 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.786 106.3 56.8 -66.2 -24.8 23.4 -2.6 6.2 90 90 A S H << S+ 0 0 42 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.692 96.7 89.8 -76.3 -18.9 23.6 -3.4 2.5 91 91 A L S << S- 0 0 7 -4,-1.0 31,-0.0 -3,-0.7 2,-0.0 -0.379 75.5-120.0 -85.3 158.2 27.4 -2.9 2.6 92 92 A D > - 0 0 56 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.269 44.9 -94.3 -78.6 174.1 30.3 -5.1 3.2 93 93 A A H > S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.792 119.8 49.5 -66.5 -29.9 32.6 -4.3 6.1 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.5 2,-0.2 3,-0.2 0.942 113.7 47.7 -70.9 -45.7 35.3 -2.2 4.3 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.831 105.5 58.4 -61.9 -35.8 32.7 -0.1 2.6 96 96 A R H X S+ 0 0 75 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.902 103.7 53.6 -60.0 -39.2 30.9 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.876 105.4 54.2 -57.6 -43.8 34.2 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.892 109.0 47.5 -60.1 -41.7 34.2 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.896 110.9 50.8 -67.2 -40.7 30.7 5.5 5.2 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.936 108.0 54.7 -63.7 -43.9 31.6 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.921 110.2 45.6 -53.4 -45.7 34.6 7.9 7.8 102 102 A M H X S+ 0 0 7 -4,-1.9 4,-3.3 1,-0.2 5,-0.4 0.932 112.4 49.2 -67.0 -44.9 32.4 10.3 5.9 103 103 A V H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.897 110.7 51.1 -61.8 -38.5 29.8 10.6 8.6 104 104 A F H < S+ 0 0 32 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.8 41.5 -63.7 -40.0 32.6 11.4 11.2 105 105 A Q H < S+ 0 0 61 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.940 133.2 16.3 -74.9 -45.0 34.0 14.0 9.0 106 106 A M H X S- 0 0 45 -4,-3.3 4,-1.1 -5,-0.2 -3,-0.2 0.445 99.0-117.3-114.2 -2.2 30.8 15.6 7.8 107 107 A G H X - 0 0 31 -4,-2.7 4,-2.5 -5,-0.4 5,-0.2 -0.005 39.0 -74.6 82.9 154.9 27.9 14.6 9.9 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.822 131.2 51.9 -55.2 -42.1 24.8 12.7 9.2 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.976 108.6 45.2 -60.2 -63.1 23.5 15.6 7.4 110 110 A G H < S+ 0 0 27 -4,-1.1 3,-0.5 1,-0.3 -2,-0.2 0.880 117.1 48.0 -54.0 -39.1 26.3 16.4 5.1 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -1,-0.3 0.864 100.3 66.9 -70.3 -30.5 26.5 12.7 4.3 112 112 A A H 3< S+ 0 0 34 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.884 90.6 65.3 -52.2 -42.7 22.7 12.8 3.8 113 113 A G T 3< S+ 0 0 65 -4,-1.5 3,-0.4 -3,-0.5 -1,-0.3 0.406 79.5 80.0 -63.7 -0.0 23.4 15.1 0.6 114 114 A F <> + 0 0 23 -3,-1.8 4,-2.6 1,-0.2 5,-0.5 0.032 56.1 135.1 -95.9 30.3 25.2 12.2 -1.3 115 115 A T H > + 0 0 67 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.882 67.0 46.2 -44.4 -51.6 21.8 11.0 -2.1 116 116 A N H > S+ 0 0 100 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.916 117.2 41.5 -66.3 -41.3 22.6 10.3 -5.6 117 117 A S H >> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.999 115.0 52.6 -63.9 -57.4 25.9 8.6 -5.0 118 118 A L H 3X S+ 0 0 14 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.736 105.7 51.6 -46.7 -36.1 24.6 6.7 -2.1 119 119 A R H 3X S+ 0 0 99 -4,-1.6 4,-3.1 -5,-0.5 -1,-0.3 0.943 111.2 49.1 -70.1 -37.1 21.7 5.3 -4.0 120 120 A M H <<>S+ 0 0 24 -4,-1.7 5,-1.8 -3,-0.8 -2,-0.3 0.933 111.4 50.8 -61.3 -44.3 24.2 4.2 -6.7 121 121 A A H ><5S+ 0 0 5 -4,-2.4 3,-0.8 2,-0.2 -1,-0.2 0.801 106.0 53.0 -66.0 -28.6 26.1 2.7 -3.7 122 122 A Q H 3<5S+ 0 0 92 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.981 108.9 51.7 -71.3 -42.0 23.0 1.0 -2.5 123 123 A Q T 3<5S- 0 0 110 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.371 113.4-121.4 -68.4 -0.6 22.8 -0.4 -6.1 124 124 A K T < 5 + 0 0 97 -3,-0.8 2,-1.2 -4,-0.2 -3,-0.2 0.580 64.6 143.7 66.2 21.9 26.5 -1.7 -6.0 125 125 A R >>< + 0 0 81 -5,-1.8 4,-2.0 1,-0.2 3,-0.8 -0.477 23.2 176.6 -87.9 55.1 27.5 0.5 -9.1 126 126 A W H 3> + 0 0 50 -2,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.721 69.5 51.9 -29.6 -49.2 30.9 1.3 -7.6 127 127 A D H 3> S+ 0 0 102 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 111.9 40.5 -64.4 -49.5 32.1 3.2 -10.6 128 128 A E H <> S+ 0 0 95 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.859 112.3 52.2 -68.1 -45.9 29.3 5.7 -11.0 129 129 A A H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.915 109.3 53.1 -62.0 -35.2 28.7 6.5 -7.5 130 130 A A H X S+ 0 0 14 -4,-1.3 4,-1.2 -5,-0.4 -1,-0.2 0.912 108.5 47.1 -66.8 -42.4 32.3 7.2 -7.2 131 131 A V H X S+ 0 0 95 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.896 112.3 52.8 -69.0 -34.3 32.4 9.7 -10.0 132 132 A N H >< S+ 0 0 39 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.908 105.2 52.1 -64.5 -41.3 29.3 11.3 -8.6 133 133 A A H 3< S+ 0 0 9 -4,-2.7 6,-0.5 1,-0.3 -1,-0.2 0.836 98.8 68.0 -65.4 -23.8 30.7 11.8 -5.1 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.9 1,-0.2 -1,-0.3 0.728 83.6 74.6 -67.0 -25.2 33.7 13.5 -6.7 135 135 A K S << S+ 0 0 156 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.476 81.0 106.1 -88.7 72.8 31.6 16.3 -7.8 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.988 82.0-120.0-150.9 154.1 31.3 17.8 -4.4 137 137 A R H > S+ 0 0 152 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.863 114.7 61.8 -57.5 -35.7 32.5 20.6 -2.3 138 138 A W H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.970 106.3 42.0 -54.4 -56.0 33.9 17.8 -0.1 139 139 A Y H 4 S+ 0 0 65 -6,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.937 114.1 51.4 -63.2 -39.6 36.2 16.4 -2.7 140 140 A N H < S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.8 45.4 -66.3 -32.4 37.3 19.9 -3.9 141 141 A Q H < S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 131.3 16.3 -78.8 -40.0 38.2 21.0 -0.5 142 142 A T S X S+ 0 0 29 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 -0.705 73.8 164.7-132.1 72.3 40.1 17.9 0.8 143 143 A P H > + 0 0 48 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.884 69.9 52.0 -63.5 -40.4 40.9 16.0 -2.4 144 144 A N H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.960 116.3 41.1 -63.8 -44.1 43.5 13.7 -1.1 145 145 A R H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.959 113.3 52.3 -62.9 -52.0 41.3 12.5 1.7 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.3 5,-0.2 0.879 107.9 54.6 -51.4 -41.0 38.2 12.4 -0.3 147 147 A K H X S+ 0 0 90 -4,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.884 106.5 49.3 -63.7 -42.5 40.1 10.3 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.901 114.0 46.6 -64.1 -38.4 41.1 7.7 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 111.8 48.0 -69.2 -44.0 37.6 7.5 1.0 150 150 A I H X S+ 0 0 18 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.887 111.4 52.4 -65.1 -36.6 35.9 7.2 -2.4 151 151 A T H X S+ 0 0 43 -4,-2.2 4,-2.5 -5,-0.2 6,-0.4 0.860 109.2 49.7 -62.4 -40.3 38.5 4.5 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.908 113.5 46.8 -65.7 -42.5 37.8 2.5 -0.3 153 153 A F H < S+ 0 0 18 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.881 116.0 42.9 -65.1 -41.7 34.1 2.7 -1.0 154 154 A R H < S+ 0 0 79 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.967 124.3 33.2 -71.4 -50.5 34.3 1.9 -4.5 155 155 A T H < S- 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.786 86.5-138.9 -75.0 -38.0 36.8 -1.0 -4.2 156 156 A G S < S+ 0 0 14 -4,-2.7 2,-0.2 1,-0.3 -62,-0.2 0.653 71.5 103.4 81.1 14.3 35.9 -2.5 -0.9 157 157 A T S S- 0 0 45 -6,-0.4 -1,-0.3 -5,-0.2 3,-0.3 -0.790 76.8-127.0-121.4 168.6 39.7 -2.8 -0.2 158 158 A W > + 0 0 42 -2,-0.2 3,-2.7 1,-0.2 4,-0.3 0.098 68.0 124.7 -99.1 15.7 42.1 -0.8 2.0 159 159 A D G > + 0 0 108 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.827 67.1 57.3 -43.4 -40.5 44.5 -0.2 -0.9 160 160 A A G 3 S+ 0 0 35 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.622 103.3 55.3 -70.4 -14.7 44.4 3.6 -0.5 161 161 A Y G < 0 0 21 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.391 360.0 360.0-105.0 10.0 45.5 3.3 2.9 162 162 A K < 0 0 188 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.832 360.0 360.0-102.8 360.0 48.7 1.3 2.2