==== 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) 24-MAR-95 170L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR X.-J.ZHANG,L.H.WEAVER,A.WOZNIAK,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 80.5 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 . 12 7.3 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 . 26 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 1 0 0 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 155.1 8.7 13.9 76.7 2 2 A N >> - 0 0 69 156,-0.0 4,-2.7 95,-0.0 3,-0.5 -0.917 360.0 -79.2-155.7 175.7 12.0 15.2 77.9 3 3 A I H 3> S+ 0 0 26 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.865 123.4 56.0 -54.8 -40.4 15.6 14.5 77.3 4 4 A F H 3> S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 112.0 41.8 -57.9 -46.2 15.7 11.5 79.6 5 5 A E H <> S+ 0 0 88 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.915 110.7 59.1 -68.3 -42.5 12.9 9.7 77.9 6 6 A M H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 3,-0.5 0.971 111.2 40.0 -48.4 -60.1 14.3 10.8 74.6 7 7 A L H 3X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.3 5,-0.5 0.780 107.2 59.7 -65.2 -31.4 17.6 9.1 75.2 8 8 A R H 3X S+ 0 0 87 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.3 0.925 109.0 48.4 -63.0 -35.7 16.2 6.0 76.9 9 9 A I H << S+ 0 0 81 -4,-2.5 -2,-0.2 -3,-0.5 -1,-0.2 0.949 116.9 40.7 -63.8 -46.5 14.4 5.5 73.6 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.860 125.8 31.7 -68.5 -41.5 17.5 6.1 71.5 11 11 A E H < S- 0 0 45 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.568 87.9-161.1 -93.6 -19.8 20.1 4.1 73.7 12 12 A G < - 0 0 31 -4,-1.7 2,-0.4 -5,-0.5 -1,-0.2 -0.178 29.9 -73.4 65.3-163.4 17.9 1.4 75.2 13 13 A L + 0 0 80 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.995 42.1 174.5-141.5 138.0 19.1 -0.4 78.2 14 14 A R E -A 28 0A 132 14,-1.7 14,-3.8 -2,-0.4 4,-0.1 -0.954 17.2-166.7-146.1 121.0 21.8 -2.9 78.9 15 15 A L E S+ 0 0 56 -2,-0.4 43,-2.6 12,-0.2 2,-0.4 0.280 75.6 60.0 -87.1 8.0 22.9 -4.3 82.2 16 16 A K E S-C 57 0B 130 41,-0.2 12,-0.3 12,-0.1 41,-0.2 -0.961 95.6 -86.7-136.0 153.8 25.9 -5.8 80.8 17 17 A I E + 0 0 29 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.135 56.4 155.5 -53.3 152.6 29.0 -4.7 79.1 18 18 A Y E -A 26 0A 36 8,-1.6 8,-5.6 -4,-0.1 2,-0.5 -0.969 40.1 -97.4-169.3 171.8 28.7 -4.4 75.4 19 19 A K E -A 25 0A 123 6,-0.3 6,-0.3 -2,-0.3 13,-0.0 -0.901 29.4-140.5-107.4 129.7 30.0 -2.7 72.3 20 20 A D > - 0 0 44 4,-3.0 3,-3.7 -2,-0.5 -1,-0.0 -0.202 42.0 -90.2 -77.0 176.7 28.4 0.3 70.7 21 21 A T T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.768 132.2 62.3 -58.8 -19.4 28.2 0.7 67.0 22 22 A E T 3 S- 0 0 51 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.581 119.2-114.6 -81.4 -8.1 31.5 2.4 67.5 23 23 A G S < S+ 0 0 36 -3,-3.7 2,-0.2 1,-0.3 -2,-0.1 0.457 74.0 130.7 87.9 3.1 32.9 -0.9 68.8 24 24 A Y - 0 0 76 1,-0.1 -4,-3.0 9,-0.0 2,-0.5 -0.573 65.9-100.8 -88.7 156.4 33.5 0.5 72.3 25 25 A Y E +AB 19 34A 27 9,-1.1 8,-3.0 11,-0.4 9,-0.9 -0.592 52.1 163.2 -78.6 126.0 32.4 -1.1 75.5 26 26 A T E -AB 18 32A 4 -8,-5.6 -8,-1.6 -2,-0.5 2,-0.3 -0.894 14.1-174.1-136.5 167.2 29.4 0.4 76.8 27 27 A I E > + B 0 31A 0 4,-2.0 4,-1.9 -2,-0.3 2,-0.4 -0.993 49.4 10.9-160.9 160.5 26.8 -0.4 79.3 28 28 A G E 4 S-A 14 0A 0 -14,-3.8 -14,-1.7 -2,-0.3 2,-0.8 -0.624 126.4 -8.5 76.6-124.3 23.5 0.7 80.8 29 29 A I T 4 S- 0 0 3 -2,-0.4 -1,-0.2 34,-0.3 -17,-0.1 -0.698 129.6 -51.7-106.7 74.7 22.0 3.4 78.8 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-0.9 -19,-0.4 -2,-0.2 0.851 83.2 167.1 64.5 35.2 24.8 4.2 76.4 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-2.0 1,-0.0 2,-0.5 -0.703 31.3-137.9 -85.8 111.0 27.3 4.6 79.1 32 32 A L E -B 26 0A 72 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.574 23.1-178.8 -73.5 122.5 30.7 4.6 77.5 33 33 A L E - 0 0 18 -8,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.975 57.0 -23.7 -82.1 -66.7 33.1 2.6 79.5 34 34 A T E -B 25 0A 28 -9,-0.9 -9,-1.1 2,-0.2 -1,-0.3 -0.984 33.3-140.8-155.7 143.4 36.3 2.8 77.6 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.739 77.5 106.8 -72.3 -19.5 37.8 3.5 74.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.2 -0.098 76.3-130.0 -58.9 154.7 40.3 0.8 75.0 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.385 75.6 103.0 -87.7 3.5 40.0 -2.5 73.2 38 38 A S > - 0 0 46 1,-0.2 4,-2.1 -13,-0.0 5,-0.2 -0.794 60.7-153.7-102.6 120.2 40.2 -4.5 76.4 39 39 A L H >> S+ 0 0 68 -2,-0.6 4,-2.9 1,-0.2 3,-0.7 0.941 99.5 54.0 -44.0 -60.4 37.4 -6.1 78.3 40 40 A N H 3> S+ 0 0 118 1,-0.3 4,-4.6 2,-0.2 -1,-0.2 0.871 104.0 53.0 -43.4 -53.3 39.4 -5.9 81.5 41 41 A A H 3> S+ 0 0 28 2,-0.2 4,-3.6 1,-0.2 -1,-0.3 0.906 113.9 44.7 -51.7 -43.3 40.0 -2.1 81.2 42 42 A A H - 0 0 7 -2,-1.2 3,-1.1 -11,-0.2 -1,-0.2 0.827 23.7-153.7 -73.6 -44.8 30.5 -5.7 89.1 55 55 A N T 3 S- 0 0 111 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.804 72.4 -56.1 64.4 30.0 31.9 -8.6 87.3 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.497 118.8 91.9 84.3 3.9 30.5 -7.0 84.1 57 57 A V B < -C 16 0B 69 -3,-1.1 -41,-0.2 -41,-0.2 2,-0.2 -0.990 52.7-164.0-138.0 131.1 26.9 -6.7 85.0 58 58 A I - 0 0 7 -43,-2.6 2,-0.3 -2,-0.4 -43,-0.1 -0.522 20.8-109.1-104.9 169.6 25.0 -3.8 86.6 59 59 A T >> - 0 0 51 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.746 30.4-114.7 -96.7 151.2 21.8 -3.2 88.3 60 60 A K H 3> S+ 0 0 112 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.898 117.5 53.6 -46.7 -51.4 19.0 -1.3 86.9 61 61 A D H 3> S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.879 106.4 52.4 -57.0 -38.3 19.5 1.4 89.5 62 62 A E H X> S+ 0 0 36 -3,-0.6 4,-2.6 2,-0.2 3,-0.9 0.977 105.9 53.6 -61.6 -50.1 23.1 1.8 88.7 63 63 A A H 3X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.3 -34,-0.3 0.902 109.3 50.1 -46.1 -46.4 22.4 2.3 85.1 64 64 A E H 3X S+ 0 0 47 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.3 0.812 106.8 54.7 -65.6 -31.8 20.0 5.0 86.1 65 65 A K H X S+ 0 0 13 -4,-2.6 4,-3.6 2,-0.2 3,-0.9 0.951 110.5 56.2 -69.7 -48.9 25.1 6.8 85.4 67 67 A F H 3X S+ 0 0 2 -4,-2.9 4,-3.6 1,-0.3 5,-0.3 0.958 105.6 52.5 -44.1 -60.9 22.5 7.9 83.0 68 68 A N H 3X S+ 0 0 73 -4,-2.0 4,-1.4 1,-0.3 -1,-0.3 0.769 113.3 42.8 -52.5 -29.4 21.7 10.8 85.2 69 69 A Q H X S+ 0 0 10 -4,-2.9 3,-0.8 1,-0.2 4,-0.6 0.943 110.4 46.4 -53.4 -51.0 29.8 20.1 78.4 78 78 A I H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 7,-0.7 0.941 107.6 54.3 -55.6 -54.1 27.8 22.2 76.0 79 79 A L H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.722 112.6 47.5 -56.3 -20.0 27.4 25.2 78.4 80 80 A R H << S+ 0 0 215 -4,-1.3 2,-0.5 -3,-0.8 -1,-0.3 0.442 92.2 90.9 -97.7 -10.3 31.2 25.2 78.6 81 81 A N > S+ 0 0 0 -6,-0.2 4,-3.4 -3,-0.2 3,-0.6 0.874 102.4 68.4 -87.7 -46.6 28.0 24.9 71.3 85 85 A K H 3X S+ 0 0 96 -4,-2.5 4,-3.5 -7,-0.7 5,-0.3 0.916 100.0 47.5 -38.3 -67.0 26.9 27.2 73.9 86 86 A P H 34 S+ 0 0 50 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.815 116.3 46.2 -47.4 -38.4 25.7 30.0 71.7 87 87 A V H X> S+ 0 0 2 -3,-0.6 3,-1.6 -4,-0.4 4,-0.6 0.965 112.8 47.6 -68.1 -54.0 23.9 27.5 69.5 88 88 A Y H >< S+ 0 0 34 -4,-3.4 3,-1.3 1,-0.3 -3,-0.2 0.878 110.8 53.8 -49.6 -46.7 22.4 25.7 72.4 89 89 A D T 3< S+ 0 0 72 -4,-3.5 -1,-0.3 -5,-0.3 -2,-0.2 0.574 106.6 52.2 -65.6 -18.9 21.3 29.0 73.8 90 90 A S T <4 S+ 0 0 38 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.483 93.3 93.0 -99.4 -4.6 19.6 30.0 70.6 91 91 A L S << S- 0 0 6 -3,-1.3 31,-0.1 -4,-0.6 5,-0.0 -0.621 77.3-116.1 -92.2 148.0 17.5 26.9 70.3 92 92 A D > - 0 0 56 -2,-0.3 4,-2.2 1,-0.1 -1,-0.1 -0.222 44.2 -93.7 -68.6 172.2 14.1 26.3 71.5 93 93 A A H > S+ 0 0 68 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.818 123.2 51.1 -59.5 -34.3 13.7 23.7 74.2 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.941 111.5 46.9 -70.8 -44.2 12.8 20.9 71.9 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.832 102.0 66.2 -66.6 -31.6 15.8 21.5 69.7 96 96 A R H X S+ 0 0 75 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.897 98.2 54.0 -59.0 -36.7 18.1 21.8 72.7 97 97 A S H X S+ 0 0 13 -4,-1.0 4,-4.4 -3,-0.5 5,-0.3 0.941 105.1 52.5 -58.7 -48.5 17.5 18.2 73.4 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.945 107.7 51.7 -54.4 -45.9 18.5 17.1 70.0 99 99 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.932 115.0 42.7 -56.1 -45.4 21.7 19.0 70.4 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.892 106.8 59.1 -66.0 -45.1 22.2 17.2 73.6 101 101 A N H X S+ 0 0 0 -4,-4.4 4,-1.0 1,-0.2 -1,-0.2 0.924 109.7 47.2 -50.8 -40.7 21.2 14.0 72.2 102 102 A M H >X>S+ 0 0 10 -4,-2.6 4,-2.5 -5,-0.3 3,-0.7 0.952 111.4 48.1 -64.7 -54.5 24.0 14.5 69.8 103 103 A V H 3X5S+ 0 0 9 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.871 107.5 55.7 -55.3 -40.9 26.6 15.4 72.3 104 104 A F H 3<5S+ 0 0 32 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.835 115.5 41.3 -61.5 -28.6 25.7 12.6 74.5 105 105 A Q H <<5S+ 0 0 41 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.882 131.9 13.7 -87.8 -46.0 26.3 10.3 71.5 106 106 A M H X5S- 0 0 28 -4,-2.5 4,-0.7 -5,-0.1 -3,-0.2 0.534 105.7-117.3-109.9 -14.1 29.4 11.6 69.8 107 107 A G H X< - 0 0 24 -4,-1.4 4,-2.8 -5,-0.6 5,-0.3 0.164 32.6 -71.0 90.4 151.3 30.8 13.9 72.3 108 108 A E H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.851 132.2 49.2 -39.3 -50.4 31.4 17.6 72.6 109 109 A T H >> S+ 0 0 121 2,-0.2 4,-0.6 1,-0.2 3,-0.6 0.991 110.0 47.5 -60.6 -60.5 34.3 17.2 70.2 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-1.9 1,-0.3 4,-0.2 0.928 115.3 47.3 -43.3 -58.0 32.5 15.2 67.6 111 111 A V H >< S+ 0 0 1 -4,-2.8 3,-1.9 1,-0.3 -1,-0.3 0.816 102.5 60.5 -58.0 -35.6 29.6 17.6 67.7 112 112 A A H << S+ 0 0 22 -4,-2.2 -1,-0.3 -3,-0.6 -2,-0.2 0.570 93.1 71.9 -74.2 0.5 31.7 20.7 67.5 113 113 A G T << S+ 0 0 54 -3,-1.9 2,-1.6 -4,-0.6 -1,-0.3 0.610 73.9 82.8 -83.7 -16.7 32.8 19.3 64.2 114 114 A F <> + 0 0 40 -3,-1.9 4,-3.5 1,-0.2 -1,-0.2 -0.367 58.7 161.0 -89.7 59.3 29.5 20.0 62.5 115 115 A T H > + 0 0 79 -2,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.909 67.4 37.0 -43.2 -72.3 30.4 23.6 61.9 116 116 A N H > S+ 0 0 83 -3,-0.2 4,-3.6 2,-0.2 5,-0.2 0.957 115.9 54.3 -51.5 -54.6 28.0 24.6 59.2 117 117 A S H > S+ 0 0 8 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.943 107.4 52.0 -44.7 -54.4 25.2 22.6 60.6 118 118 A L H X S+ 0 0 13 -4,-3.5 4,-3.3 1,-0.2 -1,-0.2 0.926 113.0 44.7 -45.6 -55.6 25.8 24.4 63.9 119 119 A R H X S+ 0 0 103 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.954 110.9 53.0 -53.7 -57.7 25.6 27.7 62.1 120 120 A M H <>S+ 0 0 18 -4,-3.6 5,-2.6 1,-0.2 -1,-0.2 0.932 113.0 44.5 -44.3 -54.7 22.6 26.8 60.1 121 121 A L H ><5S+ 0 0 5 -4,-3.1 3,-3.2 1,-0.3 -1,-0.2 0.945 109.5 53.8 -54.7 -56.2 20.8 25.8 63.2 122 122 A Q H 3<5S+ 0 0 78 -4,-3.3 -1,-0.3 -5,-0.4 -2,-0.2 0.915 111.6 48.2 -46.3 -42.3 21.8 28.7 65.0 123 123 A Q T 3<5S- 0 0 95 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.183 117.2-111.4 -85.2 14.3 20.4 30.6 62.1 124 124 A K T < 5 + 0 0 97 -3,-3.2 2,-1.2 1,-0.2 -3,-0.2 0.740 68.6 143.6 63.8 25.4 17.1 28.7 62.0 125 125 A R >< + 0 0 88 -5,-2.6 4,-2.3 -6,-0.2 5,-0.2 -0.385 20.1 168.1 -95.8 61.4 17.9 27.0 58.6 126 126 A W H > + 0 0 48 -2,-1.2 4,-3.3 1,-0.2 -1,-0.2 0.818 66.2 45.1 -41.0 -55.7 16.2 23.9 59.6 127 127 A D H > S+ 0 0 100 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.953 110.6 53.8 -63.1 -44.3 16.0 22.0 56.4 128 128 A E H > S+ 0 0 85 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.885 113.0 43.9 -57.0 -39.5 19.5 22.8 55.4 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.981 108.4 57.0 -68.1 -52.7 20.7 21.4 58.6 130 130 A A H X S+ 0 0 11 -4,-3.3 4,-1.4 -5,-0.2 -2,-0.2 0.871 113.5 43.9 -40.9 -44.5 18.4 18.5 58.3 131 131 A V H X S+ 0 0 84 -4,-3.0 4,-0.7 2,-0.2 3,-0.5 0.992 110.9 50.5 -63.7 -66.6 20.1 17.8 55.1 132 132 A N H >< S+ 0 0 38 -4,-2.7 3,-1.5 1,-0.3 4,-0.3 0.850 108.6 53.3 -39.2 -48.9 23.7 18.4 56.1 133 133 A L H >< S+ 0 0 6 -4,-2.7 3,-3.0 1,-0.3 6,-0.4 0.943 97.9 63.2 -58.8 -47.1 23.4 16.1 59.1 134 134 A A H 3< S+ 0 0 32 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.700 93.7 66.3 -53.2 -17.7 22.1 13.3 57.0 135 135 A K T << S+ 0 0 150 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.584 81.4 101.4 -83.5 -7.9 25.5 13.4 55.3 136 136 A S S <> S- 0 0 17 -3,-3.0 4,-0.9 -4,-0.3 3,-0.3 -0.339 83.2-116.6 -74.6 159.2 27.4 12.3 58.3 137 137 A R H >> S+ 0 0 129 1,-0.2 3,-1.8 2,-0.2 4,-1.6 0.937 112.9 65.7 -54.8 -48.1 28.7 8.8 58.9 138 138 A W H >> S+ 0 0 20 1,-0.3 4,-3.1 2,-0.2 3,-1.4 0.928 95.0 58.7 -41.6 -51.3 26.5 8.7 62.0 139 139 A Y H 34 S+ 0 0 66 -6,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.851 107.8 43.7 -49.8 -39.9 23.6 8.8 59.7 140 140 A N H << S+ 0 0 125 -3,-1.8 -1,-0.3 -4,-0.9 -2,-0.2 0.667 118.5 46.4 -83.3 -12.8 24.7 5.7 58.0 141 141 A Q H << S+ 0 0 87 -4,-1.6 -2,-0.2 -3,-1.4 -3,-0.2 0.767 130.5 17.5 -97.5 -29.9 25.6 4.0 61.2 142 142 A T S >X S+ 0 0 25 -4,-3.1 4,-3.3 -5,-0.2 3,-0.6 -0.289 72.8 157.9-136.1 43.5 22.4 4.9 63.3 143 143 A P H 3> S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.821 73.1 55.5 -36.3 -48.5 20.0 5.8 60.5 144 144 A N H 3> S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.937 116.5 33.8 -55.0 -54.1 17.1 5.1 62.7 145 145 A R H <> S+ 0 0 7 -3,-0.6 4,-3.4 2,-0.2 5,-0.3 0.890 114.7 56.7 -70.2 -45.4 18.2 7.4 65.4 146 146 A C H X S+ 0 0 6 -4,-3.3 4,-3.3 1,-0.2 5,-0.2 0.905 108.9 51.7 -56.7 -33.8 19.8 10.1 63.1 147 147 A K H X S+ 0 0 97 -4,-2.4 4,-3.2 -5,-0.4 5,-0.3 0.995 109.1 45.9 -61.6 -62.5 16.5 10.2 61.5 148 148 A R H X S+ 0 0 64 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.893 116.5 48.2 -47.1 -45.2 14.5 10.8 64.7 149 149 A V H X S+ 0 0 4 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.940 111.0 48.1 -64.1 -48.3 17.1 13.3 65.7 150 150 A I H X S+ 0 0 16 -4,-3.3 4,-2.9 -5,-0.3 -2,-0.2 0.904 109.1 54.3 -59.7 -38.7 17.0 15.1 62.4 151 151 A T H X S+ 0 0 43 -4,-3.2 4,-3.4 -5,-0.2 5,-0.4 0.864 106.7 52.8 -61.9 -36.5 13.3 15.2 62.4 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 5,-0.3 0.910 111.3 44.0 -67.2 -41.1 13.3 16.8 65.7 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.927 118.0 47.7 -66.8 -43.4 15.7 19.6 64.6 154 154 A R H < S+ 0 0 107 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.941 124.9 25.6 -60.4 -56.9 13.7 20.0 61.5 155 155 A T H < S- 0 0 47 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.806 88.9-135.2 -81.4 -37.8 10.2 20.1 63.1 156 156 A G S < S+ 0 0 15 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.829 71.7 98.8 81.8 28.0 10.9 21.3 66.5 157 157 A T S > S- 0 0 47 -6,-0.3 3,-0.5 -5,-0.3 -1,-0.3 -0.961 80.4-119.8-144.5 163.7 8.6 18.7 68.0 158 158 A W G >> S+ 0 0 38 -2,-0.3 3,-4.0 1,-0.2 4,-0.6 0.353 73.6 116.9 -85.8 4.2 8.7 15.3 69.6 159 159 A D G >4 + 0 0 78 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.812 69.2 63.7 -40.9 -40.8 6.6 13.6 66.9 160 160 A A G <4 S+ 0 0 31 -3,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.702 111.4 37.5 -59.0 -16.9 9.6 11.4 66.1 161 161 A Y G <4 S+ 0 0 15 -3,-4.0 -1,-0.3 1,-0.1 -2,-0.2 0.454 93.7 87.8-113.9 -2.7 9.3 10.0 69.6 162 162 A K S << S- 0 0 117 -3,-1.3 -2,-0.1 -4,-0.6 -3,-0.1 0.487 90.9-118.9 -74.8 -13.0 5.5 9.9 70.0 163 163 A N 0 0 168 -4,-0.4 -3,-0.1 -3,-0.1 -2,-0.1 0.978 360.0 360.0 70.9 59.4 4.6 6.3 68.4 164 164 A L 0 0 169 -5,-0.3 -1,-0.1 -4,-0.0 0, 0.0 -0.400 360.0 360.0 -85.4 360.0 2.4 7.3 65.5