==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-03 1OWY . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.Q.WEI,W.A.BAASE,L.H.WEAVER,B.W.MATTHEWS,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 7.4 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 . 14 8.6 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 86 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.3 43.3 -1.9 9.1 2 2 A N > - 0 0 71 95,-0.0 4,-2.3 1,-0.0 5,-0.2 -0.903 360.0 -84.2-151.5 175.3 40.2 -0.8 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.824 122.3 52.9 -55.0 -39.1 38.2 2.4 11.4 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 111.7 43.5 -67.8 -43.0 40.3 3.8 14.2 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.855 114.1 52.6 -66.7 -39.3 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.954 113.7 41.3 -64.1 -50.2 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.822 108.9 59.3 -69.0 -28.5 40.7 7.8 10.9 8 8 A R H X S+ 0 0 111 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.892 108.3 47.8 -66.4 -33.7 43.9 8.3 12.9 9 9 A I H < S+ 0 0 82 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.938 115.7 42.9 -65.2 -49.2 45.6 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.842 125.8 30.3 -68.5 -35.2 43.1 11.0 8.1 11 11 A E H < S- 0 0 43 -4,-2.6 19,-0.4 -5,-0.2 -1,-0.2 0.671 91.9-153.6 -99.3 -21.7 42.7 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 -0.146 25.0 -85.8 72.6-169.5 46.1 13.1 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.956 42.8 170.4-142.1 121.3 46.6 13.6 16.6 14 14 A R E -A 28 0A 119 14,-1.8 14,-2.4 -2,-0.4 4,-0.1 -0.999 19.3-163.6-131.8 128.6 47.2 17.0 18.3 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.416 74.2 64.8 -88.5 -4.4 47.1 17.5 22.1 16 16 A K E S-C 57 0B 105 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.919 101.9 -84.9-118.4 148.4 46.7 21.3 22.0 17 17 A I E + 0 0 3 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.185 59.2 174.6 -49.9 136.5 43.7 23.2 20.7 18 18 A Y E -A 26 0A 24 8,-3.7 8,-4.0 -4,-0.1 2,-0.5 -0.899 33.5-107.2-141.1 171.5 44.0 23.7 16.9 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.849 33.5-140.8 -99.9 129.2 42.1 25.0 13.9 20 20 A D > - 0 0 49 4,-2.6 3,-2.0 -2,-0.5 -1,-0.1 -0.069 41.1 -80.5 -75.8-172.4 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.730 135.4 48.7 -63.5 -23.2 40.8 22.8 7.7 22 22 A E T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.367 124.5-104.3 -93.8 1.2 37.6 25.0 8.0 23 23 A G S < S+ 0 0 35 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.540 74.1 141.5 84.8 20.7 39.3 27.1 10.7 24 24 A Y - 0 0 77 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.710 59.2 -99.7 -98.5 144.7 37.4 25.6 13.6 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.3 11,-0.5 9,-1.4 -0.340 55.5 156.1 -62.9 126.8 38.6 24.9 17.0 26 26 A T E -AB 18 32A 2 -8,-4.0 -8,-3.7 6,-0.3 2,-0.3 -0.906 19.7-167.5-144.1 167.1 39.4 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.3 -2,-0.3 -12,-0.2 -0.969 50.2 3.7-154.3 165.8 41.6 18.9 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.8 -2,-0.3 2,-1.0 -0.366 122.9 -4.1 66.2-132.7 42.9 15.4 19.7 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.661 127.9 -55.0 -99.2 74.5 41.9 13.1 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.775 83.6 161.7 65.9 30.6 39.7 15.5 14.9 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.6 1,-0.0 -1,-0.2 -0.654 33.2-139.6 -88.6 107.8 37.4 16.2 17.8 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.371 22.1-179.7 -65.3 134.6 35.5 19.4 16.9 33 33 A L E - 0 0 15 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.876 58.0 -26.0 -99.8 -44.6 35.1 21.7 19.8 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.943 35.1-137.0-167.1 154.6 33.1 24.6 18.5 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.616 76.9 103.0 -89.5 -19.1 32.3 26.6 15.4 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.303 72.4-135.6 -66.7 153.5 32.7 29.8 17.2 37 37 A P S S+ 0 0 108 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.345 72.8 106.5 -88.3 1.4 35.8 31.9 16.8 38 38 A S > - 0 0 57 1,-0.2 4,-1.6 -13,-0.0 3,-0.4 -0.778 58.6-155.5 -86.8 115.6 36.2 32.7 20.5 39 39 A L H > S+ 0 0 56 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.807 94.4 58.6 -57.1 -30.1 39.2 30.6 21.8 40 40 A N H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 100.4 52.1 -70.4 -38.2 37.6 30.9 25.1 41 41 A A H > S+ 0 0 32 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.864 110.3 52.9 -59.7 -37.2 34.4 29.3 24.1 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.902 108.7 46.8 -67.3 -40.6 36.6 26.5 22.8 43 43 A K H X S+ 0 0 50 -4,-2.4 4,-2.4 2,-0.2 11,-0.3 0.896 110.8 52.9 -70.3 -35.6 38.5 26.1 26.0 44 44 A S H X S+ 0 0 67 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 110.3 48.4 -63.0 -43.4 35.2 26.1 27.9 45 45 A E H X S+ 0 0 65 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.925 110.2 51.4 -63.0 -42.7 34.0 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.935 110.0 48.9 -59.9 -48.4 37.2 21.4 26.1 47 47 A D H X>S+ 0 0 33 -4,-2.4 4,-2.4 1,-0.2 5,-1.4 0.910 112.0 49.0 -58.4 -40.9 36.9 21.5 29.9 48 48 A K H <5S+ 0 0 140 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.886 112.6 47.1 -66.1 -42.1 33.3 20.4 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.920 121.8 36.6 -65.9 -40.1 34.1 17.4 27.4 50 50 A I H <5S- 0 0 34 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.755 102.7-127.6 -84.8 -32.5 37.1 16.3 29.5 51 51 A G T <5S+ 0 0 62 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.2 0.841 75.3 65.0 89.6 29.8 35.8 17.1 32.9 52 52 A R S - 0 0 7 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.707 31.5-145.8 -89.9 -28.8 42.6 21.7 30.7 55 55 A N T 3 S- 0 0 129 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.941 74.6 -54.2 59.3 43.2 43.8 25.1 29.8 56 56 A G T 3 S+ 0 0 2 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.580 119.3 99.2 71.9 2.4 43.7 24.0 26.0 57 57 A V B < +C 16 0B 73 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.972 45.0 177.9-128.9 141.7 45.8 20.9 26.5 58 58 A I - 0 0 7 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.823 26.5-108.5-131.1 173.3 45.0 17.2 26.9 59 59 A T > - 0 0 61 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.563 31.9-109.2 -98.0 168.8 46.7 13.9 27.3 60 60 A K H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 120.6 50.1 -59.5 -43.4 47.0 11.1 24.8 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.897 110.0 50.5 -62.8 -40.4 44.7 9.0 26.8 62 62 A E H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 111.1 49.9 -65.3 -42.4 42.1 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -34,-0.4 0.920 110.5 48.8 -63.1 -41.2 42.4 12.2 23.3 64 64 A E H X S+ 0 0 68 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.791 108.3 54.8 -68.2 -27.6 41.9 8.6 22.7 65 65 A K H X S+ 0 0 133 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.899 107.7 47.7 -72.0 -42.1 38.9 8.6 24.9 66 66 A L H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.903 110.2 55.5 -62.1 -38.8 37.2 11.3 23.0 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.7 -5,-0.2 5,-0.4 0.937 105.7 50.4 -61.8 -43.1 38.0 9.4 19.9 68 68 A N H X S+ 0 0 94 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.953 112.1 47.1 -57.8 -45.3 36.3 6.3 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.874 112.5 50.1 -63.0 -41.1 33.2 8.3 22.0 70 70 A D H X S+ 0 0 35 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.853 109.2 49.4 -70.5 -35.8 33.2 10.0 18.7 71 71 A V H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.916 113.2 48.9 -68.0 -43.5 33.5 6.9 16.6 72 72 A D H X S+ 0 0 77 -4,-2.3 4,-2.7 -5,-0.4 5,-0.2 0.956 109.4 50.7 -57.8 -46.0 30.8 5.4 18.5 73 73 A A H X S+ 0 0 44 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.908 108.7 53.9 -58.1 -42.9 28.5 8.4 18.2 74 74 A A H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.939 110.5 43.9 -59.2 -51.8 29.1 8.4 14.4 75 75 A V H X S+ 0 0 30 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.926 113.9 50.1 -61.3 -43.5 28.1 4.8 13.9 76 76 A R H X S+ 0 0 111 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.900 107.6 55.0 -64.0 -33.0 25.1 5.2 16.1 77 77 A G H X S+ 0 0 2 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.927 108.3 49.2 -64.2 -40.6 24.2 8.3 14.2 78 78 A I H >< S+ 0 0 3 -4,-2.2 3,-1.2 1,-0.2 7,-0.4 0.960 108.8 52.7 -61.7 -46.8 24.2 6.3 11.0 79 79 A L H 3< S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.774 109.0 49.7 -63.5 -26.4 22.1 3.6 12.5 80 80 A R H 3< S+ 0 0 174 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.652 90.6 93.7 -85.5 -17.3 19.5 6.0 13.6 81 81 A N S+ 0 0 134 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.881 121.3 40.4 -76.3 -35.6 18.2 7.4 4.8 84 84 A L H >> S+ 0 0 12 1,-0.1 4,-2.6 2,-0.1 3,-0.6 0.920 100.9 66.8 -79.2 -46.3 21.6 6.2 5.9 85 85 A K H 3X S+ 0 0 90 -4,-2.9 4,-2.7 -7,-0.4 5,-0.2 0.879 98.7 49.3 -45.8 -56.3 20.8 2.9 7.7 86 86 A P H 3> S+ 0 0 62 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.884 114.3 47.1 -57.5 -34.9 19.7 0.9 4.8 87 87 A V H XX S+ 0 0 10 -3,-0.6 4,-0.7 -4,-0.6 3,-0.6 0.948 110.8 49.8 -71.0 -49.2 22.7 1.8 2.7 88 88 A Y H >< S+ 0 0 29 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.933 109.8 51.9 -55.2 -46.6 25.1 1.2 5.4 89 89 A D H 3< S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.754 102.6 60.6 -67.5 -18.2 23.7 -2.2 6.1 90 90 A S H << S+ 0 0 41 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.650 93.1 86.4 -81.9 -9.4 23.9 -3.1 2.5 91 91 A L S << S- 0 0 9 -3,-1.6 2,-0.0 -4,-0.7 31,-0.0 -0.507 76.9-113.9 -90.7 162.5 27.7 -2.6 2.4 92 92 A D > - 0 0 57 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.229 44.4 -91.4 -78.9 174.0 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.836 121.5 47.4 -60.4 -37.8 32.9 -4.3 6.1 94 94 A V H >> S+ 0 0 27 2,-0.2 4,-1.7 62,-0.2 3,-0.9 0.960 112.1 49.4 -68.6 -51.0 35.6 -2.2 4.3 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.855 104.2 60.4 -57.0 -31.8 33.1 0.0 2.6 96 96 A R H 3X S+ 0 0 79 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.892 100.7 55.9 -62.8 -32.8 31.3 0.6 5.9 97 97 A C H S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.722 127.9 60.3 -68.5 -22.2 25.0 12.7 9.3 109 109 A T H > S+ 0 0 114 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.973 102.4 46.4 -67.5 -64.1 23.5 15.8 7.9 110 110 A G H >< S+ 0 0 33 -4,-0.8 3,-1.7 1,-0.2 -2,-0.2 0.971 118.4 43.8 -44.9 -61.7 26.1 16.4 5.1 111 111 A V H >< S+ 0 0 9 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.850 100.0 69.1 -57.8 -40.2 26.0 12.8 4.1 112 112 A A H 3< S+ 0 0 28 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.726 97.4 55.0 -53.9 -21.2 22.2 12.6 4.3 113 113 A G T << S+ 0 0 59 -3,-1.7 2,-0.3 -4,-0.9 3,-0.3 0.258 77.0 94.1 -96.9 12.4 22.1 14.9 1.1 114 114 A F <> + 0 0 44 -3,-2.1 4,-2.9 1,-0.2 5,-0.2 -0.342 51.7 153.0 -97.2 46.9 24.3 12.7 -1.1 115 115 A T H > + 0 0 71 -2,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.885 63.5 46.1 -45.9 -54.3 21.1 11.2 -2.4 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.908 115.1 48.2 -64.3 -38.0 22.3 10.2 -5.8 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.918 107.6 57.2 -69.7 -33.0 25.4 8.7 -4.4 118 118 A L H X S+ 0 0 20 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.943 107.8 46.7 -56.9 -50.1 23.4 6.9 -1.7 119 119 A R H X S+ 0 0 114 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.911 111.1 51.2 -60.5 -42.5 21.4 5.2 -4.3 120 120 A M H <>S+ 0 0 30 -4,-2.0 5,-2.4 1,-0.2 4,-0.4 0.878 110.7 48.2 -65.2 -39.4 24.4 4.2 -6.4 121 121 A L H ><5S+ 0 0 10 -4,-2.7 3,-1.5 2,-0.2 -1,-0.2 0.915 109.7 52.7 -65.9 -41.8 26.2 2.7 -3.5 122 122 A Q H 3<5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.926 110.8 47.2 -61.5 -38.0 23.1 0.8 -2.5 123 123 A Q T 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.534 113.9-121.3 -78.0 -3.1 22.9 -0.5 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.5 2,-1.3 -4,-0.4 -3,-0.2 0.763 60.9 148.9 67.5 30.8 26.6 -1.4 -5.9 125 125 A R >< + 0 0 112 -5,-2.4 4,-3.1 1,-0.2 5,-0.2 -0.621 21.0 175.2 -93.5 73.1 27.5 0.8 -9.0 126 126 A W H > S+ 0 0 50 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.878 70.0 42.8 -50.8 -54.6 31.0 1.5 -7.6 127 127 A D H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 114.5 51.7 -67.8 -34.9 32.5 3.4 -10.3 128 128 A E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.956 111.0 46.8 -65.6 -44.7 29.4 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-3.1 4,-3.3 2,-0.2 5,-0.2 0.883 108.1 57.8 -59.9 -41.0 29.2 6.3 -7.2 130 130 A A H X S+ 0 0 8 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.945 108.4 45.3 -56.2 -49.3 32.9 7.2 -7.2 131 131 A V H >X S+ 0 0 95 -4,-2.1 4,-0.8 1,-0.2 3,-0.6 0.937 114.3 49.1 -60.1 -46.6 32.5 9.8 -10.0 132 132 A N H >< S+ 0 0 33 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.929 106.7 54.9 -60.8 -42.3 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.2 -1,-0.3 0.847 101.3 58.7 -63.3 -28.2 31.0 11.6 -5.0 134 134 A A H << S+ 0 0 27 -4,-1.2 2,-1.8 -3,-0.6 -1,-0.2 0.692 86.3 80.4 -75.4 -18.0 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 162 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 -0.539 80.9 98.0 -85.7 69.8 31.4 16.3 -7.7 136 136 A S S > S- 0 0 17 -2,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.997 84.3-119.6-156.3 154.1 31.2 17.8 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.881 113.6 63.3 -64.4 -34.9 32.5 20.6 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.945 106.4 41.4 -53.7 -50.6 33.9 17.9 0.1 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.0 52.2 -63.4 -43.4 36.2 16.5 -2.6 140 140 A N H < S+ 0 0 107 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.810 114.8 40.7 -65.3 -31.5 37.2 20.0 -3.8 141 141 A Q H < S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 131.9 21.8 -87.3 -34.1 38.2 21.3 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 -0.466 72.9 159.6-132.9 69.0 39.9 18.2 0.9 143 143 A P H > + 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.818 69.0 52.7 -58.5 -43.9 40.9 16.2 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.966 117.2 38.8 -63.7 -45.2 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 116.1 51.1 -65.9 -51.8 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.929 107.8 56.1 -54.3 -40.0 38.3 12.5 -0.2 147 147 A K H X S+ 0 0 94 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.912 106.6 48.3 -58.5 -43.6 40.4 10.6 -2.8 148 148 A R H X S+ 0 0 66 -4,-1.6 4,-1.2 -3,-0.2 -1,-0.2 0.912 114.0 45.7 -65.2 -38.4 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.901 112.8 50.4 -70.0 -40.0 37.7 7.6 1.0 150 150 A I H X S+ 0 0 10 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.872 108.9 51.2 -64.1 -40.4 36.4 7.4 -2.5 151 151 A T H X S+ 0 0 31 -4,-2.1 4,-2.0 -5,-0.3 6,-0.3 0.819 108.5 53.7 -63.9 -32.8 38.9 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.893 110.9 43.3 -68.7 -44.5 37.8 2.9 -0.5 153 153 A F H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.3 52.6 -64.9 -36.7 34.2 3.0 -1.6 154 154 A R H < S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.849 123.7 21.3 -67.1 -40.0 35.2 2.2 -5.1 155 155 A T H < S- 0 0 48 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.611 83.4-134.2-107.1 -22.8 37.3 -0.9 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 1,-0.3 -62,-0.2 0.734 74.2 102.4 69.8 20.7 36.2 -2.3 -1.1 157 157 A T S S- 0 0 46 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.815 79.6-118.9-129.1 172.7 40.0 -2.7 -0.2 158 158 A W S > S+ 0 0 49 -2,-0.3 3,-1.7 1,-0.2 4,-0.4 0.130 72.1 120.7 -95.7 16.7 42.5 -0.8 2.0 159 159 A D G > + 0 0 119 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.818 67.1 56.2 -53.7 -34.2 44.7 0.1 -0.8 160 160 A A G 3 S+ 0 0 30 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.740 109.0 47.9 -71.3 -19.3 44.5 3.9 -0.5 161 161 A Y G < 0 0 6 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.395 360.0 360.0-100.5 5.3 45.6 3.6 3.1 162 162 A K < 0 0 203 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.1 -0.326 360.0 360.0 55.5 360.0 48.3 1.3 1.7