==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DN6 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 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 . 10 6.1 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.2 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 1 1 1 0 2 1 0 0 1 1 0 0 0 0 1 0 0 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 1 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 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 0.000 360.0 360.0 360.0 146.3 43.2 -1.5 8.9 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.922 360.0 -77.8-161.1 178.4 39.9 -0.6 10.5 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.849 127.6 50.2 -58.1 -38.0 37.8 2.6 11.1 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 114.5 42.2 -64.5 -49.9 40.0 3.7 14.1 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.869 114.6 53.5 -63.8 -38.1 43.3 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 112.1 41.6 -63.2 -51.9 41.6 5.0 9.0 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.836 108.9 60.6 -69.2 -32.7 40.4 8.1 10.9 8 8 A R H X S+ 0 0 107 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.915 109.0 44.0 -57.0 -43.1 43.7 8.3 12.8 9 9 A I H < S+ 0 0 52 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.944 118.4 43.3 -64.3 -48.5 45.4 8.7 9.3 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.825 125.8 30.7 -70.8 -33.0 42.9 11.2 8.0 11 11 A E H < S- 0 0 43 -4,-3.1 19,-0.4 1,-0.2 -1,-0.2 0.691 92.4-153.6-100.9 -24.0 42.6 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.214 23.9 -86.7 74.4-172.6 46.0 13.1 12.7 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.937 45.4 165.6-139.9 118.1 46.7 13.5 16.5 14 14 A R E -A 28 0A 150 14,-1.7 14,-2.2 -2,-0.4 4,-0.1 -1.000 21.7-159.9-133.0 132.3 47.4 16.9 18.1 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.503 73.3 61.9 -96.1 -4.6 47.3 17.4 21.9 16 16 A K E S-C 57 0B 145 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.898 101.7 -82.9-117.0 150.4 46.7 21.2 22.0 17 17 A I E + 0 0 33 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.251 59.1 166.8 -51.0 129.0 43.8 23.1 20.6 18 18 A Y E -A 26 0A 27 8,-2.8 8,-3.2 -4,-0.1 2,-0.5 -0.889 37.8-101.4-137.8 169.0 44.2 23.7 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.838 34.9-138.1 -98.5 132.1 42.0 24.9 13.9 20 20 A D > - 0 0 44 4,-3.0 3,-1.7 -2,-0.5 -1,-0.1 0.041 41.9 -77.0 -74.6-171.4 40.7 22.2 11.5 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.728 134.3 48.6 -63.9 -22.5 40.5 22.5 7.7 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.384 123.8-102.0 -95.7 -0.8 37.4 24.8 8.0 23 23 A G S < S+ 0 0 40 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.591 76.2 139.7 91.0 14.6 39.1 27.1 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.744 60.9-101.5 -99.1 138.5 37.2 25.6 13.6 25 25 A Y E +A 19 0A 35 9,-0.4 8,-2.4 11,-0.4 9,-1.2 -0.318 54.1 162.3 -59.3 130.7 38.8 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-2.8 6,-0.2 2,-0.3 -0.907 19.3-164.8-147.3 160.3 39.5 21.2 17.4 27 27 A I E > - B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 -12,-0.2 -0.974 51.9 -1.3-148.5 162.6 41.7 18.9 19.5 28 28 A G E 4 S-A 14 0A 1 -14,-2.2 -14,-1.7 -2,-0.3 2,-1.0 -0.353 124.1 -3.6 66.2-126.9 43.0 15.3 19.6 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.675 129.2 -53.8-104.2 74.3 42.0 13.1 16.7 30 30 A G T 4 S+ 0 0 12 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.805 81.6 164.5 62.0 33.0 39.7 15.5 14.9 31 31 A H E < -B 27 0A 30 -4,-2.4 -4,-1.7 -20,-0.1 -1,-0.2 -0.723 30.9-143.3 -81.8 100.9 37.4 16.2 17.9 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.456 19.6-176.9 -63.3 127.1 35.5 19.4 16.9 33 33 A L - 0 0 12 -8,-2.4 2,-0.3 1,-0.4 -7,-0.2 0.856 58.4 -32.9 -92.4 -43.5 35.1 21.6 19.9 34 34 A T - 0 0 31 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.957 34.5-130.9-174.5 152.7 33.0 24.5 18.5 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.458 75.8 115.2 -91.1 -4.7 32.3 26.5 15.3 36 36 A S - 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.390 69.1-138.0 -64.9 138.5 32.6 29.7 17.5 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.475 76.1 103.9 -77.3 0.3 35.5 32.0 16.7 38 38 A S > - 0 0 49 1,-0.2 4,-1.8 -13,-0.0 3,-0.1 -0.749 57.9-160.9 -87.6 117.1 36.1 32.4 20.5 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.863 95.1 56.5 -60.5 -38.4 39.1 30.5 21.9 40 40 A N H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 105.2 50.8 -60.4 -39.2 37.6 30.8 25.4 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 110.8 49.6 -63.3 -41.6 34.4 29.1 24.1 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.901 108.9 51.7 -62.7 -43.9 36.5 26.3 22.7 43 43 A K H X S+ 0 0 50 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.866 108.6 51.8 -61.8 -38.7 38.4 25.9 25.9 44 44 A S H X S+ 0 0 69 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.924 108.8 49.9 -62.8 -46.8 35.0 25.7 27.8 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.885 110.5 51.4 -58.7 -40.7 33.9 22.9 25.4 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.950 109.4 48.4 -61.1 -51.4 37.1 21.1 26.0 47 47 A D H X>S+ 0 0 39 -4,-2.4 4,-2.6 1,-0.2 5,-1.0 0.889 112.5 49.3 -55.8 -43.5 36.8 21.2 29.8 48 48 A K H <5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.8 47.6 -63.4 -40.7 33.2 20.0 29.6 49 49 A A H <5S+ 0 0 41 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.877 120.6 35.8 -69.1 -39.6 34.2 17.1 27.2 50 50 A I H <5S- 0 0 37 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.767 102.6-126.7 -86.1 -31.2 37.2 16.0 29.4 51 51 A G T <5S+ 0 0 68 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.749 76.3 75.5 85.2 27.5 35.7 16.7 32.8 52 52 A R S - 0 0 17 -2,-1.0 3,-0.7 -11,-0.3 -1,-0.2 0.752 35.4-146.2 -98.4 -32.5 42.5 21.8 31.1 55 55 A N T 3 S- 0 0 109 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.935 75.1 -48.8 45.9 52.7 43.4 25.2 29.6 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.348 114.2 94.0 89.0 -2.7 43.8 23.8 26.1 57 57 A V B < +C 16 0B 71 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.985 42.9 177.7-128.9 136.7 46.1 20.7 26.4 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.821 27.9-108.3-128.5 168.3 45.1 17.0 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.466 32.6-109.1 -89.8 166.9 47.0 13.7 27.1 60 60 A K H > S+ 0 0 114 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.894 121.0 54.0 -61.1 -42.0 47.1 11.0 24.4 61 61 A D H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 110.2 47.0 -57.4 -45.7 44.8 8.8 26.6 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 110.6 51.8 -63.5 -44.4 42.3 11.6 26.8 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.919 111.1 47.9 -57.2 -45.4 42.5 12.2 23.1 64 64 A E H X S+ 0 0 89 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.829 108.0 55.9 -66.7 -33.0 41.8 8.5 22.4 65 65 A K H X S+ 0 0 138 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.958 110.7 43.5 -62.5 -51.4 38.9 8.5 24.9 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.871 111.9 55.9 -57.7 -40.0 37.2 11.3 23.0 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.935 106.8 47.9 -61.0 -48.8 38.0 9.6 19.7 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 112.8 49.3 -58.2 -45.1 36.3 6.3 20.7 69 69 A Q H X S+ 0 0 93 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.906 111.3 49.9 -59.6 -43.1 33.2 8.3 21.8 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.891 111.0 47.4 -65.1 -43.1 33.2 10.2 18.5 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.933 113.9 49.1 -61.8 -47.5 33.4 7.1 16.4 72 72 A D H X S+ 0 0 81 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.942 110.8 50.2 -55.6 -50.9 30.6 5.5 18.5 73 73 A A H X S+ 0 0 59 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.839 108.4 52.8 -57.5 -38.0 28.5 8.6 18.1 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.920 112.5 44.0 -66.3 -45.3 28.9 8.7 14.3 75 75 A V H X S+ 0 0 33 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.943 113.7 49.7 -61.7 -52.3 27.8 5.0 14.0 76 76 A R H X S+ 0 0 128 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.875 110.7 52.2 -58.3 -37.9 24.8 5.5 16.4 77 77 A G H X S+ 0 0 11 -4,-2.2 4,-0.7 -5,-0.2 3,-0.4 0.906 107.5 50.2 -63.4 -46.8 23.8 8.6 14.4 78 78 A I H >< S+ 0 0 4 -4,-2.1 3,-1.1 1,-0.2 7,-0.4 0.927 109.5 52.2 -53.9 -47.7 23.8 6.7 11.1 79 79 A L H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 110.7 47.4 -66.4 -23.7 21.7 4.0 12.6 80 80 A R H 3< S+ 0 0 170 -4,-1.1 2,-0.6 -3,-0.4 -1,-0.3 0.505 93.9 90.5 -93.7 -7.6 19.1 6.6 13.8 81 81 A N XX - 0 0 37 -3,-1.1 4,-2.7 -4,-0.7 3,-1.2 -0.829 63.9-155.1 -95.8 119.5 18.9 8.4 10.5 82 82 A A T 34 S+ 0 0 89 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.750 95.1 51.9 -63.9 -26.8 16.2 7.1 8.1 83 83 A K T 34 S+ 0 0 155 2,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.589 120.1 32.9 -83.9 -12.9 18.1 8.4 5.1 84 84 A L T <> S+ 0 0 17 -3,-1.2 4,-2.5 -6,-0.3 -2,-0.2 0.728 100.4 71.6-115.1 -35.6 21.4 6.7 6.0 85 85 A K H X S+ 0 0 89 -4,-2.7 4,-3.0 -7,-0.4 5,-0.2 0.890 96.8 51.7 -56.4 -47.1 20.6 3.5 7.8 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.920 113.2 44.2 -59.0 -44.2 19.4 1.5 4.7 87 87 A V H > S+ 0 0 12 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.936 114.7 49.8 -66.1 -44.1 22.5 2.4 2.7 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.934 109.9 50.3 -57.9 -49.4 24.8 1.6 5.6 89 89 A D H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.797 106.2 57.7 -57.9 -30.7 23.0 -1.8 6.3 90 90 A S H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.645 95.2 86.9 -77.0 -16.3 23.4 -2.7 2.5 91 91 A L S << S- 0 0 8 -3,-1.3 2,-0.1 -4,-0.7 31,-0.0 -0.462 77.2-116.3 -89.6 155.4 27.3 -2.3 2.7 92 92 A D > - 0 0 54 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.363 44.2 -96.1 -71.9 166.0 30.1 -4.6 3.5 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.787 122.2 53.3 -60.7 -34.2 32.3 -3.8 6.6 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.951 113.0 42.6 -66.6 -49.3 35.1 -2.0 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.828 107.7 61.5 -67.5 -31.4 32.6 0.3 2.8 96 96 A R H X S+ 0 0 82 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.887 101.3 53.8 -56.9 -40.4 30.8 0.8 6.1 97 97 A A H X S+ 0 0 5 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.913 105.4 52.8 -61.6 -43.4 34.1 2.3 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.885 109.0 50.6 -57.8 -40.6 34.1 4.8 4.5 99 99 A A H X S+ 0 0 18 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.917 110.1 48.4 -61.5 -47.4 30.5 5.8 5.5 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.902 107.6 57.0 -60.5 -41.8 31.5 6.4 9.1 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 107.4 47.5 -54.0 -51.1 34.5 8.4 7.9 102 102 A M H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.899 113.1 47.1 -57.5 -47.1 32.2 10.8 6.0 103 103 A V H X S+ 0 0 14 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.896 109.4 54.9 -65.1 -40.0 29.8 11.3 8.9 104 104 A F H < S+ 0 0 30 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.920 115.6 39.2 -54.8 -45.6 32.8 11.8 11.3 105 105 A Q H < S+ 0 0 53 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 134.7 13.7 -75.8 -44.8 34.1 14.7 9.0 106 106 A M H X S- 0 0 44 -4,-2.6 4,-1.1 -5,-0.1 -3,-0.2 0.509 94.0-135.7-116.2 -7.8 30.9 16.5 7.9 107 107 A G H X - 0 0 25 -4,-2.1 4,-0.8 -5,-0.4 -1,-0.1 0.053 41.8 -65.7 71.8 172.3 28.1 15.2 10.2 108 108 A E H 4 S+ 0 0 75 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.834 137.0 50.9 -64.4 -33.9 24.6 14.1 9.2 109 109 A T H >4 S+ 0 0 126 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.860 106.3 54.9 -71.1 -36.6 23.7 17.7 8.1 110 110 A G H 3< S+ 0 0 36 -4,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.687 111.6 45.4 -68.6 -18.8 26.9 17.9 6.0 111 111 A V T >< S+ 0 0 8 -4,-0.8 3,-2.2 -3,-0.2 -1,-0.2 0.414 78.9 102.7-106.1 0.3 25.8 14.8 4.2 112 112 A A G X S+ 0 0 65 -3,-0.8 3,-0.5 -4,-0.3 -1,-0.1 0.803 79.6 56.3 -52.7 -33.7 22.1 15.6 3.5 113 113 A G G 3 S+ 0 0 72 -4,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.440 82.6 86.5 -81.2 0.2 22.9 16.5 -0.1 114 114 A F G <> + 0 0 25 -3,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.154 49.6 122.3 -89.1 21.8 24.4 13.1 -0.9 115 115 A T H <> S+ 0 0 65 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.866 75.0 45.3 -49.1 -49.2 21.0 11.5 -1.8 116 116 A N H > S+ 0 0 86 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.889 112.9 50.0 -68.4 -40.1 22.0 10.5 -5.3 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.913 109.5 53.4 -58.7 -45.5 25.4 9.1 -4.2 118 118 A L H X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.892 107.6 50.0 -58.9 -45.5 23.6 7.1 -1.5 119 119 A R H X S+ 0 0 127 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.940 110.6 49.2 -57.2 -49.8 21.2 5.6 -4.1 120 120 A M H <>S+ 0 0 45 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.877 110.8 50.8 -61.4 -38.8 24.1 4.6 -6.4 121 121 A L H ><5S+ 0 0 5 -4,-2.4 3,-1.1 2,-0.2 -1,-0.2 0.908 109.8 48.9 -64.5 -43.4 26.0 3.0 -3.4 122 122 A Q H 3<5S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.847 110.4 52.2 -65.0 -32.3 22.9 1.0 -2.4 123 123 A Q T 3<5S- 0 0 88 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.562 111.7-127.5 -74.1 -9.5 22.6 -0.1 -6.0 124 124 A K T < 5 + 0 0 96 -3,-1.1 2,-1.2 -4,-0.3 -3,-0.2 0.829 59.0 147.7 59.2 35.9 26.3 -1.2 -5.8 125 125 A R >< + 0 0 123 -5,-2.5 4,-2.9 1,-0.2 5,-0.2 -0.698 21.7 175.9 -95.1 79.0 27.2 0.9 -8.9 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.842 69.0 45.1 -65.1 -43.4 30.6 1.5 -7.6 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 116.8 46.1 -66.9 -43.9 32.2 3.5 -10.5 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 112.8 50.5 -62.7 -44.4 29.1 5.7 -11.0 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.906 109.2 51.8 -58.4 -44.9 28.9 6.3 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.900 110.1 48.7 -59.6 -44.7 32.6 7.3 -7.1 131 131 A V H < S+ 0 0 87 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.927 113.6 47.1 -59.7 -46.8 32.1 9.8 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.887 106.5 56.7 -65.1 -41.6 29.1 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.3 -1,-0.2 0.831 101.6 57.6 -58.0 -36.5 30.8 11.6 -4.8 134 134 A A T 3< S+ 0 0 26 -4,-1.3 2,-1.7 -3,-0.3 -1,-0.3 0.634 85.3 82.5 -72.0 -15.8 33.6 13.7 -6.3 135 135 A K S < S+ 0 0 159 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.524 81.3 97.8 -86.1 67.2 31.0 16.3 -7.5 136 136 A S S > S- 0 0 18 -2,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.983 86.3-116.5-154.0 153.3 30.9 17.9 -4.1 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.921 116.7 62.0 -55.8 -43.4 32.2 20.8 -1.9 138 138 A W H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.912 105.6 42.3 -46.4 -55.9 33.7 17.9 0.2 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 115.4 49.9 -62.1 -46.0 35.9 16.7 -2.7 140 140 A N H < S+ 0 0 115 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.886 116.2 40.3 -62.8 -40.5 37.0 20.2 -3.8 141 141 A Q H < S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 133.2 21.6 -81.3 -36.2 37.9 21.3 -0.2 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 -0.575 73.8 158.7-128.3 70.8 39.6 18.1 0.9 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.887 70.4 50.8 -66.1 -41.7 40.6 16.3 -2.3 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.924 116.8 40.4 -65.1 -44.3 43.3 14.0 -1.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 115.4 51.5 -65.2 -46.3 41.2 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.913 106.9 54.8 -58.1 -43.0 38.0 12.5 -0.3 147 147 A K H X S+ 0 0 99 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.877 108.8 48.2 -56.6 -41.6 40.0 10.5 -2.9 148 148 A R H X S+ 0 0 57 -4,-1.5 4,-1.8 2,-0.2 12,-0.2 0.928 114.3 44.9 -64.9 -46.4 41.0 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.922 114.4 49.7 -64.1 -43.9 37.4 7.6 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.900 108.2 52.6 -62.3 -43.8 36.1 7.4 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.4 4,-2.6 -5,-0.2 5,-0.4 0.892 107.4 53.3 -58.0 -40.7 38.6 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.919 112.0 44.3 -61.3 -44.0 37.4 2.7 -0.4 153 153 A F H < S+ 0 0 5 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 115.2 49.3 -66.1 -38.1 33.8 3.0 -1.7 154 154 A R H < S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.920 126.4 21.8 -67.7 -44.0 34.8 2.1 -5.3 155 155 A T H < S- 0 0 39 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.682 85.4-134.4-102.0 -26.0 36.9 -1.0 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.734 73.5 108.7 67.7 22.4 35.8 -2.3 -1.1 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.758 79.3-123.7-120.3 169.8 39.5 -2.6 -0.2 158 158 A W S >> S+ 0 0 52 -2,-0.2 3,-2.1 1,-0.2 4,-1.4 0.105 70.9 122.2 -96.2 19.1 41.9 -0.7 2.1 159 159 A D H 3> + 0 0 119 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.799 67.3 58.2 -55.5 -33.8 44.3 -0.0 -0.9 160 160 A A H 34 S+ 0 0 25 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.613 118.8 30.8 -72.7 -11.6 44.1 3.8 -0.4 161 161 A Y H X4 S+ 0 0 0 -3,-2.1 3,-0.5 2,-0.1 -2,-0.2 0.499 93.3 87.9-120.8 -14.6 45.4 3.4 3.3 162 162 A K H 3< S+ 0 0 169 -4,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.823 93.2 46.7 -66.1 -33.2 47.7 0.3 3.2 163 163 A N T 3< 0 0 152 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.732 360.0 360.0 -73.6 -24.9 50.8 2.4 2.2 164 164 A L < 0 0 119 -3,-0.5 -1,-0.2 -4,-0.0 -2,-0.2 0.450 360.0 360.0 -89.5 360.0 50.1 5.0 4.9