==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 05-MAY-11 3RUN . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.J.ECONOMOU,T.M.TOWNSEND,P.J.LOLL . 175 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 69.1 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 . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 1.1 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 1 1 2 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 . 2 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 52 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.0 40.7 -38.1 7.0 2 2 A N > - 0 0 70 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.928 360.0 -79.7-158.8 178.5 41.5 -34.6 5.5 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.857 125.7 51.8 -59.9 -36.7 39.8 -31.2 5.1 4 4 A F H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 114.6 41.6 -65.9 -44.9 37.8 -32.3 2.0 5 5 A E H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 113.3 54.7 -66.3 -39.9 36.4 -35.4 3.8 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.932 112.7 41.6 -59.6 -50.6 35.9 -33.4 7.0 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.852 110.2 57.2 -68.9 -34.5 33.8 -30.8 5.2 8 8 A R H X S+ 0 0 41 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.920 109.9 46.4 -60.5 -40.3 31.9 -33.4 3.1 9 9 A I H < S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.939 116.8 43.7 -63.7 -47.4 30.9 -35.0 6.4 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.820 123.5 33.7 -69.7 -32.1 29.8 -31.6 7.9 11 11 A E H < S- 0 0 44 -4,-2.8 19,-0.4 1,-0.2 -1,-0.2 0.685 90.2-154.2-100.3 -21.9 28.0 -30.2 4.9 12 12 A G < - 0 0 25 -4,-1.9 2,-0.3 -5,-0.3 -1,-0.2 -0.265 23.7 -89.9 73.9-168.7 26.5 -33.3 3.2 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.919 42.8 168.1-147.5 118.9 25.6 -33.4 -0.5 14 14 A R E -A 28 0A 151 14,-1.6 14,-2.2 -2,-0.3 4,-0.1 -1.000 21.3-158.3-133.1 134.2 22.4 -32.3 -2.1 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.497 74.2 62.0 -93.7 -5.0 21.9 -31.9 -5.8 16 16 A K E S-C 57 0B 139 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.882 101.6 -83.2-117.6 153.1 18.9 -29.6 -5.7 17 17 A I E + 0 0 32 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.288 58.5 167.1 -54.7 132.9 18.7 -26.1 -4.2 18 18 A Y E -A 26 0A 29 8,-2.6 8,-2.9 -4,-0.1 2,-0.4 -0.861 36.8-102.6-137.4 169.1 18.0 -26.3 -0.5 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.873 31.5-136.4 -98.9 136.8 18.1 -23.9 2.4 20 20 A D > - 0 0 52 4,-2.5 3,-1.9 -2,-0.4 -1,-0.1 -0.015 43.3 -80.8 -75.3-174.9 21.0 -24.0 4.8 21 21 A T T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.780 132.7 52.5 -67.4 -20.6 20.6 -23.7 8.6 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.414 122.9-103.5 -89.2 1.5 20.2 -20.0 8.4 23 23 A G S < S+ 0 0 39 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.577 75.2 139.6 88.3 11.2 17.5 -20.2 5.7 24 24 A Y - 0 0 77 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.713 60.8-102.4 -96.2 138.1 19.7 -19.3 2.7 25 25 A Y E +AB 19 34A 34 9,-0.5 8,-2.7 11,-0.4 9,-1.4 -0.351 54.4 160.5 -59.4 130.8 19.6 -20.9 -0.7 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-2.6 6,-0.3 2,-0.3 -0.877 19.2-166.5-147.7 161.1 22.4 -23.4 -1.1 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.5 -2,-0.3 -12,-0.2 -0.979 50.7 3.3-150.8 163.8 23.3 -26.3 -3.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.6 -2,-0.3 2,-1.1 -0.374 123.5 -4.4 71.2-133.3 25.8 -29.2 -3.4 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.646 129.4 -54.8 -98.6 70.7 28.3 -29.5 -0.5 30 30 A G T 4 S+ 0 0 15 -2,-1.1 2,-0.9 -19,-0.4 -2,-0.2 0.799 82.3 164.4 63.7 32.9 27.3 -26.4 1.3 31 31 A H E < -B 27 0A 32 -4,-2.5 -4,-1.8 -20,-0.1 2,-0.2 -0.715 32.0-139.7 -82.6 108.1 27.7 -24.0 -1.6 32 32 A L E -B 26 0A 75 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.468 21.1-177.7 -64.3 130.2 25.9 -20.7 -0.6 33 33 A L E - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.850 59.6 -32.2 -95.3 -45.8 24.0 -19.3 -3.7 34 34 A T E -B 25 0A 30 -9,-1.4 -9,-0.5 2,-0.1 -1,-0.4 -0.966 33.8-133.9-169.3 155.2 22.6 -16.1 -2.2 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.459 75.0 113.6 -94.0 -2.2 21.2 -14.5 1.0 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.405 71.6-135.3 -65.2 138.9 18.3 -13.2 -1.1 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.523 77.4 105.7 -73.0 -1.4 14.9 -14.6 -0.2 38 38 A S > - 0 0 49 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.696 56.3-163.0 -85.8 117.2 14.3 -14.9 -4.0 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.865 94.6 56.9 -61.9 -35.9 14.5 -18.4 -5.4 40 40 A N H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 104.8 51.0 -62.5 -39.5 14.8 -16.9 -8.9 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 110.4 49.7 -62.7 -40.6 17.9 -14.9 -7.7 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.900 109.3 51.2 -63.0 -43.6 19.3 -18.2 -6.3 43 43 A K H X S+ 0 0 62 -4,-2.6 4,-2.6 2,-0.2 11,-0.2 0.888 109.0 51.5 -60.6 -39.1 18.7 -20.0 -9.6 44 44 A S H X S+ 0 0 74 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.892 110.3 48.4 -65.7 -39.6 20.4 -17.1 -11.5 45 45 A E H X S+ 0 0 68 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.908 111.4 51.3 -65.2 -39.7 23.5 -17.4 -9.2 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.943 108.8 48.8 -63.6 -48.2 23.5 -21.2 -9.7 47 47 A D H X>S+ 0 0 35 -4,-2.6 4,-2.5 1,-0.2 5,-0.9 0.897 113.0 49.0 -59.4 -40.0 23.4 -20.9 -13.5 48 48 A K H <5S+ 0 0 139 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.891 112.0 48.9 -65.4 -40.8 26.3 -18.4 -13.4 49 49 A A H <5S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.1 35.2 -67.5 -38.6 28.3 -20.6 -11.1 50 50 A I H <5S- 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.754 103.6-125.1 -89.3 -28.3 27.9 -23.8 -13.2 51 51 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.687 77.9 66.3 90.1 20.3 28.0 -22.2 -16.6 52 52 A R S - 0 0 4 -2,-1.0 3,-1.4 -11,-0.2 -1,-0.2 0.632 32.8-142.0 -94.4 -19.5 20.5 -25.8 -14.6 55 55 A N T 3 S- 0 0 130 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.818 73.3 -54.9 53.7 33.7 16.9 -25.2 -13.5 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.523 118.5 96.1 85.4 6.5 18.0 -25.7 -9.9 57 57 A V B < -C 16 0B 60 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.992 45.9-179.1-133.3 138.6 19.6 -29.1 -10.2 58 58 A I - 0 0 5 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.797 26.6-106.8-127.6 169.1 23.2 -30.1 -10.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.508 33.5-109.6 -89.6 164.6 25.3 -33.3 -11.1 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 120.7 52.8 -60.1 -42.3 27.6 -34.8 -8.4 61 61 A D H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 109.3 49.8 -61.1 -39.3 30.6 -33.8 -10.5 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 109.9 50.2 -65.9 -43.0 29.3 -30.2 -10.6 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.906 110.1 50.7 -59.7 -41.9 28.8 -30.1 -6.9 64 64 A E H X S+ 0 0 46 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.861 107.4 54.1 -66.1 -35.3 32.3 -31.4 -6.3 65 65 A K H X S+ 0 0 139 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.948 110.1 45.2 -64.5 -46.9 33.7 -28.7 -8.6 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.911 113.3 52.7 -59.4 -40.7 32.0 -25.9 -6.6 67 67 A F H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.926 107.8 49.2 -61.2 -47.1 33.2 -27.6 -3.4 68 68 A N H X S+ 0 0 77 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.909 112.9 48.4 -61.3 -40.0 36.8 -27.7 -4.5 69 69 A Q H X S+ 0 0 97 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.906 111.2 50.7 -62.8 -41.1 36.6 -24.0 -5.5 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.857 108.5 50.4 -69.3 -36.4 35.0 -23.2 -2.1 71 71 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.935 111.5 49.4 -64.8 -45.3 37.7 -25.1 -0.2 72 72 A D H X S+ 0 0 77 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.925 108.1 54.2 -56.3 -45.6 40.3 -23.1 -2.2 73 73 A A H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.892 108.7 48.6 -58.3 -39.6 38.5 -19.9 -1.4 74 74 A A H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.927 112.3 47.8 -65.8 -44.5 38.7 -20.6 2.3 75 75 A V H X S+ 0 0 37 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.940 113.1 48.3 -62.1 -46.4 42.4 -21.4 2.2 76 76 A R H X S+ 0 0 147 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.861 108.3 55.3 -60.9 -37.4 43.1 -18.3 0.2 77 77 A G H X S+ 0 0 1 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.2 0.911 110.3 45.6 -63.1 -42.1 41.1 -16.2 2.7 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.4 0.957 112.3 50.4 -62.4 -48.5 43.2 -17.5 5.5 79 79 A L H 3< S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.751 113.2 45.3 -68.5 -24.4 46.5 -17.0 3.6 80 80 A R H 3< S+ 0 0 172 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.530 94.1 94.8 -92.5 -5.9 45.7 -13.3 2.7 81 81 A N S+ 0 0 93 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.842 120.0 41.6 -89.1 -37.9 45.0 -12.2 11.7 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.9 1,-0.2 5,-0.2 0.883 103.5 64.1 -79.8 -38.6 44.4 -15.7 10.3 85 85 A K H X S+ 0 0 82 -4,-2.8 4,-2.9 -7,-0.4 5,-0.2 0.909 101.8 47.1 -57.1 -48.6 47.6 -16.4 8.5 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.894 114.9 48.0 -64.3 -33.4 50.0 -16.4 11.5 87 87 A V H X S+ 0 0 6 -4,-0.7 4,-0.9 2,-0.2 3,-0.3 0.965 112.7 48.0 -67.1 -49.2 47.6 -18.6 13.4 88 88 A Y H >< S+ 0 0 32 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.929 111.5 50.0 -54.7 -48.7 47.2 -21.1 10.5 89 89 A D H 3< S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.5 55.5 -62.7 -29.5 51.0 -21.2 10.0 90 90 A S H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.672 96.6 86.6 -76.0 -17.4 51.5 -21.9 13.7 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.433 77.8-115.7 -87.9 155.7 49.2 -25.0 13.7 92 92 A D > - 0 0 54 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.296 44.5 -92.4 -73.3 170.5 49.8 -28.6 12.9 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.829 123.0 48.9 -59.9 -38.9 48.0 -30.2 9.8 94 94 A V H > S+ 0 0 25 2,-0.2 4,-1.6 62,-0.2 3,-0.2 0.954 113.5 45.4 -69.1 -46.6 44.9 -31.5 11.7 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.843 106.4 61.1 -68.8 -29.7 44.2 -28.2 13.4 96 96 A R H X S+ 0 0 79 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.916 102.5 52.4 -57.3 -42.9 44.8 -26.3 10.2 97 97 A A H X S+ 0 0 5 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.911 105.3 54.4 -58.9 -43.0 41.9 -28.3 8.8 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.901 109.0 48.5 -58.2 -40.0 39.7 -27.2 11.7 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.918 110.4 50.1 -68.3 -42.6 40.5 -23.6 10.9 100 100 A I H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.907 107.7 55.7 -59.1 -39.8 39.7 -24.1 7.2 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.943 107.9 47.3 -58.6 -49.6 36.4 -25.7 8.3 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.913 112.8 48.9 -58.1 -43.8 35.4 -22.6 10.3 103 103 A V H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.886 108.6 53.6 -68.0 -35.1 36.4 -20.3 7.4 104 104 A F H < S+ 0 0 31 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.918 116.7 39.3 -60.3 -43.2 34.4 -22.4 5.0 105 105 A Q H < S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 134.3 16.7 -74.3 -43.4 31.3 -22.1 7.3 106 106 A M H < S- 0 0 62 -4,-2.9 4,-0.4 -5,-0.2 -3,-0.2 0.537 103.4-116.4-113.4 -10.4 31.6 -18.4 8.4 107 107 A G X - 0 0 30 -4,-2.2 4,-2.3 -5,-0.4 5,-0.2 0.078 33.2 -75.6 87.3 159.0 34.0 -16.7 6.0 108 108 A E H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 129.2 45.6 -53.8 -54.1 37.4 -15.1 6.4 109 109 A T H > S+ 0 0 117 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.906 112.1 53.5 -62.7 -41.4 36.2 -11.9 8.0 110 110 A G H >4 S+ 0 0 37 -4,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.923 113.0 40.2 -59.3 -50.3 33.9 -13.8 10.4 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -1,-0.2 0.867 106.9 63.0 -72.5 -33.7 36.6 -16.1 11.7 112 112 A A H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.748 94.6 65.9 -60.1 -22.8 39.2 -13.3 11.9 113 113 A G T << S+ 0 0 51 -4,-0.9 2,-1.9 -3,-0.5 -1,-0.3 0.570 73.1 90.6 -75.9 -7.7 36.8 -11.7 14.4 114 114 A F <> + 0 0 38 -3,-2.3 4,-2.7 1,-0.2 5,-0.3 -0.354 55.6 161.1 -81.8 58.8 37.4 -14.6 16.9 115 115 A T H > + 0 0 67 -2,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.853 65.9 41.4 -57.5 -46.9 40.3 -12.6 18.4 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.905 115.4 50.3 -72.1 -38.0 40.6 -14.2 21.8 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 109.5 52.3 -61.7 -44.0 40.2 -17.8 20.4 118 118 A L H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.895 108.5 50.5 -59.9 -41.1 42.8 -17.1 17.7 119 119 A R H X S+ 0 0 113 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.934 109.9 49.4 -65.2 -44.4 45.3 -16.0 20.4 120 120 A M H <>S+ 0 0 32 -4,-2.2 5,-2.4 1,-0.2 4,-0.4 0.887 111.0 50.4 -61.7 -37.1 44.7 -19.1 22.5 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.3 2,-0.2 -2,-0.2 0.927 109.5 50.0 -64.2 -44.7 45.2 -21.3 19.4 122 122 A Q H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.881 111.4 49.8 -60.6 -36.7 48.5 -19.4 18.6 123 123 A Q T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.520 110.8-125.4 -77.8 -6.8 49.5 -20.0 22.2 124 124 A K T < 5 + 0 0 98 -3,-1.3 2,-1.2 -4,-0.4 -3,-0.2 0.830 60.5 147.0 60.6 35.9 48.6 -23.7 22.0 125 125 A R >< + 0 0 119 -5,-2.4 4,-2.9 1,-0.2 5,-0.2 -0.708 21.5 173.9 -96.3 79.7 46.4 -23.4 25.0 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.865 67.7 45.2 -69.9 -42.0 44.0 -26.0 23.6 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 116.5 48.5 -67.3 -40.2 41.5 -26.6 26.4 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 111.1 49.8 -64.0 -43.9 41.3 -22.8 26.9 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -9,-0.2 -1,-0.2 0.918 109.7 51.9 -58.4 -44.2 40.8 -22.2 23.2 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.915 109.9 48.3 -62.7 -42.4 38.1 -24.9 23.1 131 131 A V H X S+ 0 0 85 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.931 114.1 47.0 -60.9 -44.6 36.2 -23.3 26.0 132 132 A N H >< S+ 0 0 39 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.905 106.9 56.4 -67.2 -39.2 36.4 -19.8 24.4 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.815 101.8 57.9 -61.8 -31.1 35.3 -21.1 20.9 134 134 A A H 3< S+ 0 0 29 -4,-1.3 2,-1.9 -3,-0.3 -1,-0.3 0.637 84.5 82.2 -76.6 -14.1 32.1 -22.5 22.4 135 135 A K S << S+ 0 0 159 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.520 81.4 99.4 -86.3 68.6 31.1 -19.0 23.8 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.997 85.1-120.0-155.3 151.1 29.7 -18.1 20.4 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.915 115.4 62.8 -58.3 -40.2 26.6 -17.8 18.3 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.930 106.0 41.6 -47.1 -55.0 28.4 -20.3 16.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 115.4 49.7 -63.5 -44.3 28.4 -23.0 18.8 140 140 A N H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.4 42.1 -67.4 -33.8 24.8 -22.3 19.9 141 141 A Q H < S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 132.5 20.4 -83.8 -33.3 23.3 -22.4 16.5 142 142 A T S X S+ 0 0 25 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 -0.584 75.1 159.3-131.7 69.8 25.2 -25.4 15.1 143 143 A P H > + 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.876 69.3 51.6 -69.1 -37.7 26.4 -27.2 18.3 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.940 116.2 40.7 -66.6 -42.4 27.0 -30.7 16.9 145 145 A R H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 116.0 50.0 -69.6 -43.1 29.2 -29.4 14.1 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.903 107.5 55.3 -62.2 -40.1 30.9 -26.8 16.3 147 147 A K H X S+ 0 0 96 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.908 108.3 48.6 -58.1 -41.8 31.6 -29.5 18.8 148 148 A R H X S+ 0 0 68 -4,-1.7 4,-1.7 2,-0.2 12,-0.2 0.935 114.3 44.7 -63.8 -45.1 33.4 -31.7 16.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.931 114.9 49.0 -65.3 -44.4 35.5 -28.7 15.0 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.906 108.4 52.7 -62.9 -41.9 36.3 -27.7 18.6 151 151 A T H X S+ 0 0 39 -4,-2.7 4,-2.6 -5,-0.2 6,-0.4 0.870 107.2 54.0 -59.8 -36.2 37.3 -31.3 19.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.922 111.4 44.3 -65.9 -42.8 39.6 -31.2 16.5 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.871 114.8 50.0 -64.6 -38.4 41.2 -28.0 17.8 154 154 A R H < S+ 0 0 107 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.934 126.3 21.9 -68.0 -41.0 41.4 -29.4 21.4 155 155 A T H < S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.682 84.7-135.0-104.1 -25.1 43.0 -32.7 20.5 156 156 A G S < S+ 0 0 18 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.766 73.4 106.9 67.8 22.5 44.7 -32.3 17.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.826 78.3-124.3-123.3 169.7 43.2 -35.7 16.2 158 158 A W S > S+ 0 0 45 -2,-0.3 3,-2.5 1,-0.2 4,-0.2 0.162 70.5 121.1 -94.4 16.1 40.4 -36.7 13.8 159 159 A D G > + 0 0 97 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.797 66.4 59.4 -59.3 -32.1 38.5 -38.6 16.5 160 160 A A G 3 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.636 107.8 49.1 -68.6 -12.2 35.3 -36.5 16.2 161 161 A Y G < S+ 0 0 11 -3,-2.5 2,-0.3 -13,-0.1 -1,-0.3 0.235 93.2 96.3-111.5 11.9 35.1 -37.6 12.6 162 162 A K < - 0 0 107 -3,-1.4 2,-0.3 -4,-0.2 3,-0.0 -0.662 49.2-173.9 -97.3 154.6 35.6 -41.3 13.1 163 163 A N > - 0 0 64 -2,-0.3 3,-1.1 1,-0.1 13,-0.1 -0.951 37.0-107.1-141.0 171.6 32.9 -44.0 13.4 164 164 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.834 117.9 46.2 -65.4 -35.5 32.7 -47.7 14.2 165 165 A X T 3 S- 0 0 173 2,-0.3 -1,-0.3 -3,-0.0 11,-0.1 0.528 106.4-124.7 -84.5 -4.8 32.0 -48.8 10.6 166 166 A K S < S- 0 0 115 -3,-1.1 10,-1.8 1,-0.1 9,-0.6 0.832 81.4 -5.8 58.7 35.3 34.8 -46.6 9.2 167 167 A X B D 174 0C 5 8,-0.2 -2,-0.3 7,-0.1 7,-0.2 -0.951 360.0 360.0 148.6-159.6 32.3 -45.0 6.9 168 168 A X 0 0 30 5,-2.4 3,-2.4 -2,-0.3 6,-0.1 0.412 360.0 360.0 140.8 360.0 28.7 -45.2 5.8 169 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 170 1 B X 0 0 132 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.2 25.9 -41.1 5.8 171 2 B X + 0 0 196 -3,-2.4 0, 0.0 2,-0.1 0, 0.0 0.524 360.0 87.4 105.8 13.2 25.1 -41.8 2.1 172 3 B N S S- 0 0 59 1,-0.2 2,-0.4 -163,-0.0 -163,-0.0 0.862 73.4-135.4-115.2 -58.1 28.8 -41.5 1.3 173 4 B X + 0 0 66 0, 0.0 -5,-2.4 0, 0.0 2,-0.3 -0.997 30.6 154.0 126.2-130.2 31.2 -44.6 1.4 174 5 B X B -D 167 0C 67 -2,-0.4 -7,-0.1 -7,-0.2 2,-0.1 -0.951 43.2-143.1 143.7-160.6 34.7 -44.9 2.9 175 6 B X 0 0 155 -9,-0.6 -8,-0.2 -2,-0.3 -1,-0.2 0.502 360.0 360.0-105.0 155.6 36.7 -46.7 4.1 176 7 B X 0 0 69 -10,-1.8 -14,-0.0 -3,-0.1 -1,-0.0 -0.210 360.0 360.0-100.7 360.0 38.4 -44.6 6.8