==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 15-OCT-93 144L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.BALDWIN,B.W.MATTHEWS . 162 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) . 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 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 1 0 0 3 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 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 139.7 43.5 -1.9 9.1 2 2 A N > - 0 0 67 156,-0.0 4,-3.3 95,-0.0 5,-0.2 -0.960 360.0 -84.5-156.5 170.0 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.861 124.1 52.8 -53.0 -39.2 38.2 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.969 113.3 41.4 -62.6 -54.2 40.3 3.5 14.2 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.901 114.6 54.8 -59.6 -40.9 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 3,-0.5 0.972 111.2 41.1 -57.5 -59.9 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.4 0.847 109.6 60.1 -61.6 -29.7 40.5 7.9 10.8 8 8 A R H X S+ 0 0 106 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.912 107.6 47.7 -66.9 -32.8 43.8 8.3 12.8 9 9 A I H < S+ 0 0 87 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.922 115.8 42.1 -69.4 -46.3 45.5 8.6 9.5 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.791 123.5 35.4 -73.8 -27.8 43.1 11.0 8.0 11 11 A E H < S- 0 0 39 -4,-2.6 19,-0.4 -5,-0.2 -1,-0.2 0.694 90.9-150.8-102.1 -21.6 42.7 13.2 11.0 12 12 A G < - 0 0 26 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.219 22.8 -92.0 77.0-177.4 46.1 13.2 12.6 13 13 A L + 0 0 33 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 41.7 172.4-138.8 123.3 46.6 13.7 16.3 14 14 A R E -A 28 0A 146 14,-1.9 14,-2.3 -2,-0.4 4,-0.1 -0.989 22.8-160.7-141.0 129.4 47.2 17.0 18.1 15 15 A L E S+ 0 0 63 -2,-0.4 43,-1.7 12,-0.2 2,-0.3 0.318 74.8 67.0 -85.5 0.4 47.3 17.8 21.8 16 16 A K E S-C 57 0B 135 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.923 96.2 -94.3-122.8 148.9 46.7 21.5 21.5 17 17 A I E + 0 0 27 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.333 58.0 169.3 -55.7 144.5 43.6 23.3 20.4 18 18 A Y E -A 26 0A 32 8,-3.2 8,-3.1 6,-0.1 2,-0.4 -0.952 36.6 -97.7-153.5 168.5 43.9 24.1 16.7 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.741 36.3-140.1 -92.6 134.0 42.0 25.3 13.6 20 20 A D > - 0 0 51 4,-2.4 3,-1.1 -2,-0.4 -1,-0.1 -0.062 39.1 -82.1 -79.5-167.9 40.7 22.7 11.2 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.646 135.3 46.0 -68.9 -19.1 40.7 22.9 7.4 22 22 A E T 3 S- 0 0 83 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.337 127.2-100.5-100.1 -1.6 37.5 25.1 7.6 23 23 A G S < S+ 0 0 33 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.547 74.9 145.5 90.8 12.7 39.0 27.3 10.4 24 24 A Y - 0 0 70 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.619 57.7-103.0 -89.6 142.7 37.2 25.5 13.3 25 25 A Y E +AB 19 34A 30 9,-1.0 8,-2.7 11,-0.4 9,-1.4 -0.425 55.9 160.2 -63.4 123.8 38.5 25.0 16.8 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.2 6,-0.3 2,-0.3 -0.916 18.6-173.7-142.5 162.1 39.5 21.4 17.0 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.9 -2,-0.3 -12,-0.2 -0.972 49.8 2.7-153.4 168.1 41.6 19.2 19.2 28 28 A G E 4 S-A 14 0A 1 -14,-2.3 -14,-1.9 -2,-0.3 2,-0.7 -0.355 122.0 -5.4 61.6-123.6 42.9 15.6 19.5 29 29 A I T 4 S- 0 0 5 34,-0.3 -1,-0.2 -16,-0.2 -17,-0.1 -0.653 126.5 -52.4-109.5 75.6 41.9 13.3 16.6 30 30 A G T 4 S+ 0 0 17 -2,-0.7 2,-1.0 -19,-0.4 -2,-0.2 0.731 85.5 157.1 68.2 24.8 39.5 15.4 14.5 31 31 A H E < -B 27 0A 35 -4,-1.9 -4,-1.4 1,-0.0 2,-0.3 -0.641 35.8-142.0 -86.2 104.2 37.3 16.3 17.5 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.414 20.6-178.3 -65.0 128.3 35.5 19.5 16.6 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.920 59.1 -20.9 -90.6 -50.7 35.1 21.8 19.6 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-1.0 2,-0.1 -1,-0.3 -0.981 34.7-140.9-160.4 151.4 33.1 24.7 18.2 35 35 A K S S+ 0 0 151 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.492 74.8 112.4 -90.3 -6.1 32.2 26.5 15.0 36 36 A S S S- 0 0 40 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.432 73.3-133.0 -76.8 142.3 32.6 29.7 16.9 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.556 77.7 100.6 -65.3 -15.3 35.3 32.2 16.2 38 38 A S > - 0 0 46 1,-0.1 4,-1.3 -13,-0.0 -2,-0.1 -0.673 56.8-159.9 -87.7 127.3 36.1 32.5 19.9 39 39 A L H > S+ 0 0 68 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.762 96.1 53.7 -71.3 -25.4 39.0 30.7 21.5 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 104.3 51.8 -78.8 -38.2 37.5 31.1 24.8 41 41 A A H > S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.871 113.4 48.6 -61.7 -32.6 34.3 29.5 23.8 42 42 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.912 109.2 49.7 -71.7 -44.0 36.6 26.7 22.5 43 43 A K H X S+ 0 0 64 -4,-2.6 4,-1.8 1,-0.2 11,-0.3 0.846 111.2 52.3 -62.7 -34.3 38.6 26.4 25.7 44 44 A S H X S+ 0 0 72 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.878 108.2 48.1 -70.4 -40.4 35.3 26.3 27.5 45 45 A E H X S+ 0 0 67 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.880 110.4 53.9 -65.5 -40.5 33.9 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.877 108.3 47.5 -64.5 -39.7 37.1 21.6 25.8 47 47 A D H X>S+ 0 0 36 -4,-1.8 4,-1.9 2,-0.2 5,-1.1 0.902 112.8 49.8 -69.3 -36.4 36.9 21.8 29.7 48 48 A K H <5S+ 0 0 141 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.909 113.7 46.8 -63.2 -44.6 33.3 20.7 29.5 49 49 A A H <5S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.885 120.8 35.7 -64.5 -43.8 34.3 17.7 27.3 50 50 A I H <5S- 0 0 35 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.657 102.5-127.1 -87.3 -23.2 37.3 16.6 29.3 51 51 A G T <5S+ 0 0 68 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.785 76.1 72.3 78.9 26.7 35.8 17.4 32.8 52 52 A R S - 0 0 9 -2,-1.0 3,-0.5 -11,-0.3 -1,-0.2 0.750 36.2-137.9 -89.6 -33.4 42.8 22.0 30.6 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.821 73.5 -59.5 73.3 33.4 44.2 25.2 29.5 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.611 119.7 102.0 71.1 14.4 43.7 24.2 25.9 57 57 A V B < +C 16 0B 47 -3,-0.5 2,-0.3 -41,-0.2 -41,-0.2 -0.986 43.8 175.1-134.9 136.8 45.9 21.2 26.3 58 58 A I - 0 0 4 -43,-1.7 2,-0.2 -2,-0.4 -30,-0.1 -0.851 26.8-113.3-131.1 168.2 45.1 17.5 26.8 59 59 A T > - 0 0 62 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.509 35.1-100.8 -97.2 172.6 47.1 14.3 27.1 60 60 A K H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.890 121.0 53.6 -57.5 -44.3 47.2 11.4 24.7 61 61 A D H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.853 107.4 52.1 -63.8 -33.8 45.0 9.3 26.8 62 62 A E H > S+ 0 0 41 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.871 108.0 51.1 -70.7 -38.6 42.4 12.1 26.8 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -34,-0.3 0.909 110.1 50.3 -65.5 -39.3 42.4 12.4 23.0 64 64 A E H X S+ 0 0 83 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.859 106.6 54.4 -67.2 -36.0 41.9 8.8 22.6 65 65 A K H X S+ 0 0 133 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.946 109.3 46.3 -62.8 -45.3 39.1 8.8 24.9 66 66 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.4 54.7 -60.9 -36.7 37.3 11.6 22.9 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.957 106.2 50.0 -61.9 -48.6 38.1 9.5 19.8 68 68 A N H X S+ 0 0 89 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.907 112.1 48.9 -54.1 -44.3 36.4 6.4 21.2 69 69 A Q H X S+ 0 0 93 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.907 112.3 48.1 -66.3 -38.8 33.4 8.4 22.0 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.901 109.3 50.0 -72.3 -40.8 33.3 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.959 112.1 51.3 -61.2 -43.9 33.7 6.8 16.6 72 72 A D H X S+ 0 0 84 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.916 107.9 49.9 -59.2 -40.9 30.9 5.3 18.7 73 73 A A H X S+ 0 0 44 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.907 108.7 54.2 -67.0 -34.6 28.6 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.954 110.8 44.5 -64.0 -50.6 29.1 8.0 14.4 75 75 A V H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.957 116.0 46.5 -59.0 -52.1 28.2 4.4 14.3 76 76 A R H X S+ 0 0 113 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.889 111.0 54.4 -60.1 -34.3 25.2 5.0 16.6 77 77 A G H >X S+ 0 0 1 -4,-3.2 3,-1.0 -5,-0.2 4,-0.9 0.942 107.8 48.8 -62.9 -45.6 24.2 7.9 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 7,-0.5 0.967 108.9 51.8 -57.3 -52.4 24.2 5.9 11.3 79 79 A L H 3< S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.603 110.9 49.2 -63.9 -12.5 22.2 3.1 12.8 80 80 A R H << S+ 0 0 168 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.3 0.468 90.6 96.5-101.1 -13.2 19.5 5.6 13.9 81 81 A N S+ 0 0 131 2,-0.1 4,-0.7 1,-0.1 -1,-0.2 0.884 122.1 42.7 -78.7 -36.3 18.4 7.0 5.2 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.915 99.3 67.7 -76.9 -45.0 21.7 5.8 6.4 85 85 A K H X S+ 0 0 82 -4,-3.2 4,-2.3 -7,-0.5 5,-0.2 0.888 102.0 45.9 -45.9 -47.7 20.8 2.6 8.2 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.889 110.9 54.0 -69.0 -33.2 19.8 0.7 5.1 87 87 A V H < S+ 0 0 0 -4,-0.7 3,-0.4 -3,-0.4 4,-0.4 0.975 109.6 47.5 -61.2 -48.2 22.8 1.8 3.3 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.879 108.7 53.8 -58.4 -44.1 25.0 0.6 6.0 89 89 A D H 3< S+ 0 0 78 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.801 103.8 57.3 -65.1 -29.6 23.3 -2.7 6.2 90 90 A S T 3< S+ 0 0 41 -4,-1.6 -1,-0.3 -3,-0.4 2,-0.2 0.528 95.9 89.2 -82.2 -0.6 23.8 -3.3 2.5 91 91 A L S < S- 0 0 7 -3,-1.3 2,-0.1 -4,-0.4 31,-0.0 -0.606 72.5-119.2-101.7 162.3 27.6 -3.0 2.7 92 92 A D > - 0 0 59 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.281 45.2 -95.7 -80.6 170.3 30.7 -5.1 3.2 93 93 A A H > S+ 0 0 82 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.835 120.1 48.9 -62.2 -39.6 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.3 1,-0.2 3,-0.4 0.957 113.9 47.3 -65.6 -48.0 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.853 104.8 58.7 -63.5 -35.0 32.9 -0.1 2.8 96 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.883 104.0 55.0 -61.7 -32.9 31.0 0.3 6.1 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.3 -3,-0.4 -1,-0.2 0.866 102.9 54.6 -67.3 -33.2 34.3 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.2 -1,-0.2 0.877 108.3 49.3 -65.7 -37.4 34.2 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.957 110.8 48.9 -65.1 -46.7 30.6 5.5 5.5 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.948 108.2 55.6 -58.0 -47.3 31.7 5.9 9.1 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.935 110.8 43.9 -49.6 -52.9 34.7 8.0 8.0 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.900 112.7 51.7 -61.7 -41.7 32.5 10.4 6.1 103 103 A V H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.942 107.9 52.6 -63.9 -40.8 30.0 10.6 8.9 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.922 116.9 38.9 -54.2 -49.7 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.932 132.4 18.9 -70.6 -52.8 34.0 14.2 9.1 106 106 A M H X S- 0 0 49 -4,-3.1 4,-0.9 1,-0.2 -3,-0.2 0.383 101.6-118.9-107.4 2.2 30.7 15.8 7.8 107 107 A G H X - 0 0 31 -4,-2.4 4,-2.2 -5,-0.4 5,-0.2 0.116 35.5 -74.2 79.1 159.0 28.0 14.6 10.2 108 108 A E H > S+ 0 0 62 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.846 131.0 52.6 -54.9 -46.1 24.9 12.5 9.5 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.913 107.6 49.3 -60.5 -49.1 23.2 15.4 7.9 110 110 A G H >< S+ 0 0 31 -4,-0.9 3,-0.6 2,-0.2 4,-0.3 0.955 117.2 41.8 -54.8 -55.5 26.0 16.1 5.4 111 111 A V H >< S+ 0 0 2 -4,-2.2 3,-2.6 1,-0.3 -2,-0.2 0.920 108.7 57.5 -60.5 -48.6 26.2 12.4 4.4 112 112 A A H 3< S+ 0 0 5 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.802 99.7 62.6 -55.3 -26.6 22.5 11.8 4.3 113 113 A G T << S+ 0 0 49 -4,-1.2 2,-2.0 -3,-0.6 3,-0.3 0.603 73.9 90.0 -77.4 -11.3 22.3 14.6 1.7 114 114 A F X> + 0 0 43 -3,-2.6 4,-1.8 -4,-0.3 3,-0.6 -0.295 56.9 160.5 -79.3 53.3 24.5 12.8 -0.8 115 115 A T H 3> + 0 0 87 -2,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.866 63.8 47.9 -43.0 -54.1 21.2 11.4 -2.1 116 116 A N H 3> S+ 0 0 111 -3,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.858 111.5 50.1 -63.9 -35.5 22.4 10.4 -5.6 117 117 A S H <> S+ 0 0 1 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.824 106.7 58.1 -68.8 -29.5 25.4 8.7 -4.3 118 118 A L H X S+ 0 0 14 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.874 103.9 49.5 -67.5 -39.8 23.3 6.8 -1.8 119 119 A R H X S+ 0 0 140 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.862 112.9 48.1 -66.4 -35.8 21.1 5.3 -4.4 120 120 A M H X>S+ 0 0 32 -4,-1.3 5,-2.2 2,-0.2 4,-0.6 0.881 107.2 55.4 -73.0 -40.2 24.3 4.2 -6.3 121 121 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.957 109.7 47.0 -56.9 -49.0 25.8 2.7 -3.2 122 122 A Q H 3<5S+ 0 0 91 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.939 111.3 48.7 -59.6 -45.3 22.8 0.7 -2.8 123 123 A Q H 3<5S- 0 0 85 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.463 110.8-128.3 -71.1 -2.8 22.8 -0.4 -6.4 124 124 A K T <<5 + 0 0 97 -3,-1.5 2,-1.6 -4,-0.6 -3,-0.2 0.767 50.9 159.8 58.9 34.1 26.5 -1.2 -5.8 125 125 A R >< + 0 0 92 -5,-2.2 4,-1.9 1,-0.2 -1,-0.2 -0.622 14.0 178.2 -87.5 78.0 27.4 0.8 -8.9 126 126 A W H > + 0 0 42 -2,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.835 67.6 41.8 -48.6 -60.0 31.1 1.4 -7.8 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 115.2 50.2 -63.4 -41.2 32.7 3.3 -10.6 128 128 A E H > S+ 0 0 95 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.896 108.5 54.3 -62.9 -41.4 29.8 5.7 -11.1 129 129 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.3 0.900 103.9 54.4 -57.6 -44.5 29.7 6.4 -7.5 130 130 A A H X S+ 0 0 13 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.898 110.2 46.5 -61.1 -38.5 33.3 7.3 -7.5 131 131 A V H X S+ 0 0 96 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.943 112.5 50.1 -65.8 -46.7 32.7 9.9 -10.2 132 132 A N H >< S+ 0 0 40 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.918 108.1 52.1 -57.3 -49.7 29.6 11.3 -8.5 133 133 A M H 3< S+ 0 0 5 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.822 101.0 62.3 -62.3 -30.1 31.3 11.7 -5.1 134 134 A A H 3< S+ 0 0 28 -4,-1.3 2,-1.8 -5,-0.2 -1,-0.3 0.762 85.9 77.9 -66.9 -23.1 34.1 13.6 -6.7 135 135 A K S << S+ 0 0 168 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.516 82.8 98.8 -85.7 66.4 31.6 16.3 -7.8 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.999 83.8-119.5-155.0 153.9 31.4 17.9 -4.5 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.925 114.5 61.3 -53.8 -45.3 32.7 20.6 -2.2 138 138 A W H > S+ 0 0 18 1,-0.3 4,-2.2 2,-0.2 8,-0.2 0.913 107.8 41.7 -47.9 -54.9 34.1 17.8 0.0 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.911 115.3 50.4 -64.9 -43.3 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.855 114.9 42.8 -65.5 -32.9 37.3 20.1 -3.8 141 141 A Q H < S+ 0 0 100 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.862 130.1 20.8 -81.9 -36.9 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 24 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 -0.482 72.7 163.5-132.4 66.3 40.1 18.1 0.9 143 143 A P H > S+ 0 0 53 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.847 70.1 50.1 -51.5 -54.6 41.2 16.2 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.956 116.9 43.0 -58.3 -45.1 43.8 13.9 -0.9 145 145 A R H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.969 114.4 48.4 -62.8 -55.1 41.5 12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.3 5,-0.2 0.908 108.2 56.9 -54.6 -38.3 38.5 12.4 -0.2 147 147 A K H X S+ 0 0 103 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.3 0.899 106.3 49.7 -59.8 -40.9 40.6 10.5 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.7 4,-1.9 -3,-0.4 12,-0.2 0.954 114.5 43.8 -61.2 -46.8 41.5 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 112.6 52.1 -63.9 -45.2 37.9 7.5 0.9 150 150 A I H X S+ 0 0 16 -4,-3.3 4,-2.8 -5,-0.2 -1,-0.2 0.905 108.8 49.9 -60.6 -40.8 36.6 7.4 -2.7 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-3.7 -5,-0.2 5,-0.4 0.931 108.0 55.6 -62.5 -39.5 39.1 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.941 110.7 43.5 -56.3 -48.8 37.9 2.8 -0.6 153 153 A W H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.3 48.5 -62.6 -41.5 34.4 3.0 -1.9 154 154 A R H < S+ 0 0 99 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.940 123.6 26.3 -68.6 -47.2 35.4 2.1 -5.4 155 155 A T H < S- 0 0 48 -4,-3.7 -2,-0.2 2,-0.2 -1,-0.2 0.575 86.0-136.0 -96.5 -14.4 37.6 -0.9 -4.6 156 156 A G S < S+ 0 0 15 -4,-2.2 -62,-0.2 -5,-0.4 2,-0.2 0.698 73.4 101.6 68.4 11.2 36.2 -2.2 -1.4 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.688 80.5-118.9-119.7 177.6 39.9 -2.7 -0.2 158 158 A W S > S+ 0 0 40 -2,-0.2 3,-2.0 1,-0.2 4,-0.3 0.082 71.8 122.2-100.5 19.4 42.3 -0.7 2.1 159 159 A D G > + 0 0 107 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.836 65.6 58.6 -52.1 -39.8 44.8 0.0 -0.6 160 160 A A G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.647 106.6 50.9 -65.3 -18.0 44.6 3.8 -0.3 161 161 A Y G < 0 0 18 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.337 360.0 360.0-102.8 7.6 45.7 3.5 3.3 162 162 A K < 0 0 180 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.1 0.796 360.0 360.0-110.1 360.0 48.7 1.3 2.6