==== 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 21-APR-03 1P46 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.MOOERS,D.DATTA,W.A.BAASE,E.S.ZOLLARS,S.L.MAYO, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.9 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 . 3 1.8 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 1 2 1 0 0 1 1 1 0 0 0 0 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 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.7 42.8 -1.6 8.7 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.916 360.0 -83.2-164.2 169.9 39.5 -0.6 10.4 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.833 126.4 50.5 -55.1 -36.4 37.5 2.5 10.9 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.948 113.9 43.4 -67.4 -48.6 39.6 3.7 13.9 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.877 116.2 51.2 -62.4 -36.1 42.9 3.2 12.0 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.942 113.4 40.0 -67.3 -53.0 41.4 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.4 0.857 111.1 60.4 -68.7 -31.0 40.1 7.9 10.7 8 8 A R H X S+ 0 0 102 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.917 108.8 44.4 -59.9 -40.2 43.3 8.1 12.7 9 9 A I H < S+ 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.943 117.4 44.0 -68.8 -42.7 45.2 8.4 9.4 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.775 122.7 35.7 -72.1 -28.9 42.7 10.9 8.0 11 11 A E H < S- 0 0 38 -4,-2.9 19,-0.5 -5,-0.2 -3,-0.2 0.646 92.5-150.3-101.8 -18.3 42.4 13.1 11.1 12 12 A G < - 0 0 24 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.197 23.2 -91.3 74.4-175.0 45.9 13.0 12.6 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.953 45.4 166.9-143.8 116.3 46.5 13.3 16.4 14 14 A R E -A 28 0A 138 14,-1.8 14,-2.4 -2,-0.4 4,-0.1 -0.997 22.4-158.8-135.2 128.7 47.2 16.7 18.0 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.8 12,-0.2 2,-0.4 0.492 73.4 59.7 -88.8 -6.9 47.1 17.2 21.8 16 16 A K E S-C 57 0B 88 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.906 99.9 -84.5-122.5 153.6 46.5 20.9 21.8 17 17 A I E + 0 0 13 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.254 59.0 160.8 -55.4 132.1 43.7 22.9 20.4 18 18 A Y E -A 26 0A 29 8,-2.8 8,-3.0 -4,-0.1 2,-0.5 -0.908 41.5 -95.1-146.3 171.8 44.2 23.7 16.7 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.819 34.9-141.9 -96.6 131.4 42.1 24.7 13.7 20 20 A D > - 0 0 44 4,-3.0 3,-2.2 -2,-0.5 -1,-0.1 0.006 42.8 -78.4 -75.7-171.8 40.9 22.0 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.718 134.5 51.5 -63.8 -20.5 40.7 22.4 7.6 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.349 123.1-105.9 -93.4 -0.3 37.5 24.4 7.9 23 23 A G S < S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.588 74.9 140.6 84.9 14.0 39.2 26.7 10.4 24 24 A Y - 0 0 70 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.702 61.2-101.6 -97.4 140.6 37.3 25.2 13.4 25 25 A Y E +A 19 0A 35 9,-0.5 8,-2.9 11,-0.5 9,-1.2 -0.357 54.9 160.9 -60.5 127.5 38.7 24.6 16.8 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.8 6,-0.3 2,-0.3 -0.914 18.6-169.4-141.8 163.3 39.5 20.8 17.1 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.5 -2,-0.3 2,-0.3 -0.978 51.6 2.1-150.7 165.3 41.6 18.7 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.8 -2,-0.3 2,-0.7 -0.423 123.4 -4.4 67.7-126.7 42.8 15.0 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.2 -0.715 129.1 -52.4-105.0 71.2 41.8 12.8 16.6 30 30 A G T 4 S+ 0 0 8 -2,-0.7 2,-1.1 -19,-0.5 -2,-0.2 0.810 82.0 166.3 66.8 31.5 39.5 15.1 14.7 31 31 A H E < -B 27 0A 28 -4,-2.5 -4,-1.9 -20,-0.1 2,-0.3 -0.688 28.8-145.9 -85.6 104.6 37.4 16.0 17.7 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.526 17.6-175.4 -68.9 124.1 35.5 19.0 16.6 33 33 A L - 0 0 12 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.893 56.1 -38.7 -89.4 -44.3 35.1 21.3 19.5 34 34 A T - 0 0 25 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.954 35.0-125.5-173.9 160.6 32.9 24.0 18.1 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.508 75.0 116.7 -93.7 -7.3 32.2 26.1 15.1 36 36 A S - 0 0 38 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.257 68.1-137.3 -61.0 139.5 32.6 29.2 17.2 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.383 77.2 104.1 -80.6 7.0 35.4 31.6 16.3 38 38 A S > - 0 0 46 1,-0.2 4,-2.0 -13,-0.0 5,-0.1 -0.822 57.4-162.4 -97.0 119.2 36.0 31.9 20.1 39 39 A L H > S+ 0 0 54 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.867 96.3 55.9 -62.6 -37.3 39.0 30.1 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 105.4 49.9 -63.0 -40.7 37.4 30.5 24.9 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 111.2 50.6 -61.3 -41.0 34.3 28.9 23.7 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.886 109.1 50.1 -64.7 -39.3 36.4 26.0 22.4 43 43 A K H X S+ 0 0 47 -4,-2.8 4,-2.7 1,-0.2 11,-0.2 0.887 108.3 53.3 -66.8 -37.7 38.2 25.6 25.6 44 44 A S H X S+ 0 0 76 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 109.2 48.6 -62.0 -43.3 34.9 25.5 27.5 45 45 A E H X S+ 0 0 66 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.924 111.1 51.5 -62.3 -40.0 33.7 22.8 25.2 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.938 108.7 48.9 -62.6 -46.0 36.9 20.9 25.8 47 47 A D H X>S+ 0 0 37 -4,-2.7 4,-2.3 1,-0.2 5,-1.3 0.909 113.2 48.0 -59.7 -41.1 36.7 21.1 29.5 48 48 A K H <5S+ 0 0 140 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.858 112.8 48.4 -64.6 -41.5 33.1 19.9 29.4 49 49 A A H <5S+ 0 0 41 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 119.5 38.3 -67.2 -38.8 34.0 17.0 27.0 50 50 A I H <5S- 0 0 31 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.698 102.4-125.5 -87.1 -27.3 36.9 15.9 29.2 51 51 A G T <5S+ 0 0 69 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.731 77.8 70.7 88.3 18.9 35.5 16.5 32.6 52 52 A R S - 0 0 11 -2,-1.2 3,-0.9 -11,-0.2 -1,-0.2 0.699 35.1-142.5 -84.7 -29.6 42.4 21.6 30.7 55 55 A N T 3 S- 0 0 115 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.932 73.8 -59.7 63.9 31.2 43.6 24.9 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.589 113.3 100.6 72.0 14.1 43.5 23.5 26.0 57 57 A V B < +C 16 0B 77 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.999 44.6 179.4-132.0 134.2 45.9 20.6 26.3 58 58 A I - 0 0 4 -43,-2.8 2,-0.1 -2,-0.4 -30,-0.1 -0.826 26.0-107.7-127.9 168.9 45.0 16.9 26.6 59 59 A T > - 0 0 69 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.438 31.1-111.2 -89.9 167.5 46.7 13.6 26.9 60 60 A K H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 120.0 52.1 -62.4 -43.9 46.8 10.8 24.3 61 61 A D H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 110.3 48.0 -58.4 -44.8 44.6 8.7 26.4 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.930 109.8 53.3 -63.0 -41.1 42.1 11.5 26.7 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -34,-0.4 0.933 110.6 47.8 -57.2 -43.7 42.3 12.1 22.9 64 64 A E H X S+ 0 0 86 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.855 106.8 56.9 -67.2 -35.7 41.6 8.4 22.3 65 65 A K H X S+ 0 0 135 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.972 109.7 43.4 -64.7 -47.3 38.7 8.5 24.7 66 66 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.900 111.8 55.7 -61.2 -37.5 37.0 11.2 22.7 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.959 105.9 48.9 -60.6 -49.4 37.8 9.6 19.5 68 68 A N H X S+ 0 0 87 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.921 112.7 49.3 -56.2 -41.2 36.1 6.3 20.5 69 69 A Q H X S+ 0 0 96 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.915 111.9 49.9 -64.2 -40.1 33.1 8.3 21.6 70 70 A D H X S+ 0 0 34 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.902 110.1 48.0 -66.7 -40.6 33.1 10.1 18.3 71 71 A V H X S+ 0 0 5 -4,-3.1 4,-2.3 2,-0.2 5,-0.3 0.962 114.6 46.7 -63.7 -50.2 33.3 7.0 16.2 72 72 A D H X S+ 0 0 82 -4,-2.6 4,-3.6 -5,-0.3 5,-0.2 0.950 110.7 51.9 -56.9 -45.9 30.5 5.4 18.1 73 73 A A H X S+ 0 0 58 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.890 107.7 52.6 -59.3 -37.7 28.4 8.5 17.9 74 74 A A H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.941 112.4 45.0 -65.0 -44.7 28.8 8.7 14.2 75 75 A V H X S+ 0 0 25 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.959 112.5 51.4 -61.3 -48.4 27.7 5.1 13.8 76 76 A R H X S+ 0 0 120 -4,-3.6 4,-1.0 -5,-0.3 -1,-0.2 0.878 109.6 49.7 -57.7 -38.5 24.8 5.6 16.2 77 77 A G H >X S+ 0 0 14 -4,-2.3 4,-0.9 -5,-0.2 3,-0.6 0.909 109.2 52.7 -66.2 -42.8 23.7 8.7 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 7,-0.3 0.946 108.6 49.7 -56.0 -49.5 23.8 6.7 11.0 79 79 A L H 3< S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 112.7 47.9 -64.9 -20.8 21.7 3.9 12.5 80 80 A R H << S+ 0 0 179 -4,-1.0 2,-0.5 -3,-0.6 -1,-0.3 0.482 92.9 92.8 -95.6 -8.7 19.2 6.5 13.6 81 81 A N S+ 0 0 134 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.875 119.4 35.4 -87.1 -35.3 18.4 8.1 5.0 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-3.3 -7,-0.2 5,-0.3 0.817 101.6 71.7 -86.9 -31.4 21.6 6.6 6.0 85 85 A K H X S+ 0 0 85 -4,-2.8 4,-3.5 -7,-0.3 5,-0.2 0.927 98.7 46.5 -51.7 -53.3 20.5 3.5 7.8 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.918 116.0 46.5 -60.3 -40.9 19.4 1.6 4.8 87 87 A V H >X S+ 0 0 3 -4,-0.6 4,-0.8 2,-0.2 3,-0.5 0.978 113.0 48.4 -63.6 -51.8 22.5 2.4 2.9 88 88 A Y H >< S+ 0 0 30 -4,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.937 110.9 51.4 -50.9 -49.0 24.7 1.6 5.7 89 89 A D H 3< S+ 0 0 70 -4,-3.5 -1,-0.3 -5,-0.3 -2,-0.2 0.827 104.4 57.8 -63.3 -26.9 22.9 -1.7 6.3 90 90 A S H << S+ 0 0 32 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.660 94.1 89.2 -76.5 -14.4 23.3 -2.7 2.6 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.494 77.1-116.8 -91.8 160.5 27.1 -2.4 2.7 92 92 A D > - 0 0 59 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.283 46.7 -95.5 -76.4 164.7 30.0 -4.7 3.5 93 93 A A H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.826 122.2 53.9 -55.9 -37.5 32.1 -3.7 6.5 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.969 112.5 43.4 -64.0 -50.3 34.8 -2.0 4.5 95 95 A R H > S+ 0 0 25 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.852 107.6 59.5 -65.9 -31.7 32.3 0.2 2.8 96 96 A R H X S+ 0 0 79 -4,-2.4 4,-2.6 1,-0.2 -1,-0.3 0.909 103.3 52.8 -61.3 -39.6 30.5 0.8 6.0 97 97 A A H X S+ 0 0 4 -4,-1.7 4,-3.0 -3,-0.3 -1,-0.2 0.925 105.4 54.6 -60.7 -43.3 33.8 2.3 7.4 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.913 110.0 47.8 -56.3 -40.1 33.9 4.6 4.3 99 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.938 110.1 49.3 -68.7 -44.6 30.5 5.8 5.2 100 100 A I H X S+ 0 0 8 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.910 109.3 56.0 -59.4 -40.9 31.2 6.4 8.9 101 101 A N H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.937 107.6 47.2 -56.3 -49.4 34.3 8.3 7.7 102 102 A M H X>S+ 0 0 2 -4,-2.2 4,-3.2 1,-0.2 5,-0.7 0.937 112.5 48.5 -59.2 -48.7 32.2 10.6 5.7 103 103 A V H X5S+ 0 0 8 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.929 108.6 54.9 -59.0 -42.5 29.7 11.2 8.4 104 104 A F H <5S+ 0 0 33 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.911 119.5 32.1 -56.7 -44.8 32.5 11.9 10.9 105 105 A Q H <5S+ 0 0 50 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.957 130.3 30.5 -79.8 -52.3 34.0 14.6 8.7 106 106 A I H <5S- 0 0 51 -4,-3.2 4,-0.3 -5,-0.2 -3,-0.2 0.773 109.0-112.8 -80.3 -31.5 31.0 16.1 6.9 107 107 A G X< - 0 0 29 -4,-2.1 4,-2.1 -5,-0.7 3,-0.3 0.103 26.2 -90.0 101.2 142.0 28.4 15.6 9.5 108 108 A E H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 121.9 55.9 -52.6 -41.2 25.3 13.4 9.4 109 109 A T H > S+ 0 0 125 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.928 107.7 46.4 -61.6 -46.7 23.2 16.1 7.9 110 110 A G H >> S+ 0 0 28 -3,-0.3 3,-0.9 -4,-0.3 4,-0.6 0.962 115.1 45.5 -60.4 -55.2 25.3 16.7 5.0 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.900 107.4 57.5 -55.9 -45.2 25.9 13.1 4.1 112 112 A A H 3< S+ 0 0 14 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.782 103.4 56.9 -58.7 -27.0 22.2 12.2 4.6 113 113 A G H << S+ 0 0 48 -4,-1.1 2,-3.7 -3,-0.9 -1,-0.3 0.631 74.0 97.6 -80.7 -16.4 21.4 14.8 1.9 114 114 A F + 0 0 91 -2,-3.7 4,-1.9 1,-0.2 -1,-0.2 0.843 67.6 43.8 -44.3 -48.0 20.6 11.6 -2.2 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 115.0 46.6 -68.1 -48.1 22.0 10.6 -5.6 117 117 A S H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.944 112.7 52.3 -57.2 -46.9 25.3 9.3 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.895 108.1 50.8 -56.5 -43.5 23.5 7.4 -1.6 119 119 A R H X S+ 0 0 100 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.941 109.3 50.3 -63.4 -43.6 21.2 5.8 -4.2 120 120 A M H <>S+ 0 0 27 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.900 111.3 50.1 -62.1 -38.8 24.2 4.6 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.920 110.5 47.2 -63.4 -47.9 25.8 3.1 -3.3 122 122 A Q H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 110.7 53.3 -64.6 -28.4 22.7 1.3 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.505 111.3-124.6 -82.5 -5.2 22.4 0.1 -5.9 124 124 A K T < 5 + 0 0 99 -3,-1.5 2,-1.1 -4,-0.3 -3,-0.2 0.837 61.7 146.0 62.9 36.4 26.1 -1.2 -5.7 125 125 A R >< + 0 0 119 -5,-2.6 4,-2.7 1,-0.2 5,-0.2 -0.686 22.6 176.0-103.3 76.3 27.0 0.9 -8.8 126 126 A W H > + 0 0 50 -2,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.834 69.5 43.3 -52.4 -52.4 30.5 1.5 -7.4 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 117.1 47.9 -64.7 -43.5 32.2 3.5 -10.2 128 128 A E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.926 111.8 49.5 -61.6 -45.1 29.1 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.929 109.0 53.5 -59.4 -44.2 28.9 6.3 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.897 109.7 46.8 -59.5 -41.4 32.5 7.2 -7.0 131 131 A V H < S+ 0 0 90 -4,-2.3 3,-0.5 1,-0.2 4,-0.5 0.905 113.1 50.8 -66.6 -41.2 32.1 9.7 -9.8 132 132 A N H >< S+ 0 0 37 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.899 104.3 55.9 -64.7 -39.4 29.0 11.2 -8.2 133 133 A L H 3< S+ 0 0 3 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.781 99.5 61.0 -62.5 -30.7 30.6 11.6 -4.8 134 134 A A T 3< S+ 0 0 28 -4,-0.9 2,-1.8 -3,-0.5 -1,-0.3 0.593 82.1 83.8 -75.2 -13.3 33.5 13.8 -6.3 135 135 A K S < S+ 0 0 161 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.468 80.2 97.1 -88.7 64.7 31.0 16.3 -7.5 136 136 A S S > S- 0 0 20 -2,-1.8 4,-2.4 1,-0.1 5,-0.1 -0.981 85.5-117.7-152.4 160.4 30.9 17.9 -4.1 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.919 115.5 62.8 -61.4 -38.0 32.3 20.7 -2.0 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.929 106.3 40.9 -50.0 -56.0 33.7 17.8 0.2 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.947 115.4 51.8 -60.6 -47.7 35.9 16.5 -2.6 140 140 A N H < S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 114.5 41.6 -58.5 -43.5 36.9 20.0 -3.7 141 141 A Q H < S+ 0 0 110 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.796 133.5 19.2 -75.6 -33.4 38.0 21.2 -0.2 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.529 72.6 159.9-137.8 70.5 39.7 18.0 0.8 143 143 A P H > S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.847 70.6 52.5 -63.6 -37.9 40.5 16.1 -2.3 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.967 116.2 39.8 -66.6 -45.2 43.3 13.8 -1.0 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 115.9 52.6 -64.3 -45.5 41.2 12.5 1.8 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.3 -2,-0.2 0.902 106.3 53.8 -57.7 -41.7 38.1 12.4 -0.4 147 147 A K H X S+ 0 0 96 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.886 107.9 50.4 -61.6 -38.5 39.9 10.4 -3.0 148 148 A R H X S+ 0 0 56 -4,-1.7 4,-1.9 2,-0.2 12,-0.2 0.948 113.3 44.6 -65.2 -44.6 40.9 7.8 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.937 113.2 51.3 -62.8 -45.5 37.4 7.5 0.9 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.880 107.7 51.5 -58.4 -43.6 36.0 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.5 4,-3.0 1,-0.2 6,-0.4 0.880 106.9 55.2 -63.7 -35.5 38.5 4.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.913 111.9 43.0 -62.0 -43.4 37.4 2.6 -0.5 153 153 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.888 115.6 49.2 -69.7 -40.7 33.7 2.9 -1.8 154 154 A R H < S+ 0 0 103 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.927 126.0 24.1 -62.6 -47.0 34.7 2.1 -5.3 155 155 A T H < S- 0 0 38 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.666 85.5-134.7 -94.9 -26.7 36.8 -1.0 -4.5 156 156 A G S < S+ 0 0 18 -4,-2.5 2,-0.3 -5,-0.4 -62,-0.2 0.763 74.9 105.2 74.4 17.8 35.6 -2.3 -1.2 157 157 A T S S- 0 0 44 -6,-0.4 3,-0.4 -5,-0.3 -1,-0.3 -0.850 79.2-124.5-127.2 167.6 39.3 -2.6 -0.3 158 158 A W > + 0 0 51 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 0.103 69.3 124.1 -97.0 22.5 41.6 -0.7 2.0 159 159 A D G > + 0 0 109 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.827 67.0 59.9 -51.4 -34.0 44.1 -0.1 -0.9 160 160 A A G 3 S+ 0 0 24 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.688 109.0 43.1 -69.5 -18.6 43.9 3.7 -0.4 161 161 A Y G X S+ 0 0 2 -3,-2.0 3,-1.2 1,-0.1 -1,-0.3 0.333 87.9 110.4-108.5 5.7 45.1 3.4 3.1 162 162 A K T < S+ 0 0 143 -3,-1.2 -2,-0.1 -4,-0.4 -1,-0.1 0.836 82.5 27.2 -46.1 -61.8 47.7 0.9 2.1 163 163 A N T 3 0 0 159 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.025 360.0 360.0-102.8 36.1 51.0 2.7 2.5 164 164 A L < 0 0 117 -3,-1.2 -1,-0.2 0, 0.0 -2,-0.2 0.513 360.0 360.0-104.0 360.0 49.8 5.0 5.2