==== 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) 28-MAY-93 127L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 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 1 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.3 43.2 -1.8 9.3 2 2 A N > - 0 0 67 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.929 360.0 -81.2-155.8 175.5 40.0 -0.8 10.9 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.810 125.7 52.1 -52.9 -39.1 37.8 2.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.950 112.4 41.1 -64.0 -52.6 39.9 3.5 14.2 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.849 114.4 55.4 -64.7 -34.3 43.3 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.951 111.7 42.1 -63.7 -49.1 41.6 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.866 109.3 59.0 -66.5 -36.6 40.4 7.8 11.1 8 8 A R H X S+ 0 0 100 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.902 108.0 47.2 -59.4 -35.1 43.6 8.2 13.0 9 9 A I H < S+ 0 0 87 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 116.4 41.9 -70.8 -45.5 45.4 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.820 124.2 34.1 -72.4 -32.6 43.0 11.0 8.1 11 11 A E H < S- 0 0 42 -4,-2.9 19,-0.3 1,-0.2 -3,-0.2 0.738 91.1-153.4 -98.1 -24.2 42.5 13.2 11.2 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.279 24.1 -88.1 77.3-171.3 45.9 13.1 12.9 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 43.2 171.1-141.2 121.4 46.4 13.6 16.6 14 14 A R E -A 28 0A 139 14,-1.6 14,-2.7 -2,-0.4 4,-0.1 -0.996 19.3-163.4-134.1 131.3 47.0 17.0 18.2 15 15 A L E S+ 0 0 59 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.444 74.2 63.4 -90.5 -6.2 47.0 17.6 22.0 16 16 A K E S-C 57 0B 132 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.861 101.6 -88.3-116.3 148.0 46.5 21.4 21.9 17 17 A I E + 0 0 31 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.359 59.1 169.4 -54.2 136.0 43.4 23.2 20.5 18 18 A Y E -A 26 0A 29 8,-2.8 8,-3.0 -4,-0.1 2,-0.4 -0.867 35.9-100.4-137.9 175.0 44.0 23.8 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.826 33.7-137.7-101.6 134.4 42.0 24.9 13.7 20 20 A D > - 0 0 47 4,-2.7 3,-2.2 -2,-0.4 -1,-0.1 -0.145 40.6 -82.2 -77.5-175.8 40.6 22.3 11.3 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.748 133.9 50.0 -62.8 -22.5 40.6 22.6 7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.472 124.1-103.5 -91.6 -2.8 37.5 24.7 7.8 23 23 A G S < S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.526 75.2 139.8 94.9 8.5 39.0 27.0 10.4 24 24 A Y - 0 0 72 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.3 -0.710 60.8-102.3 -95.0 145.7 37.1 25.5 13.4 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.1 11,-0.4 9,-1.2 -0.411 54.5 159.8 -66.2 123.3 38.5 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.8 6,-0.3 2,-0.3 -0.867 18.5-168.7-138.1 167.3 39.2 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.9 -2,-0.3 2,-0.2 -0.982 51.3 4.0-154.8 162.8 41.4 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.6 -2,-0.3 2,-0.9 -0.422 123.8 -6.8 69.6-132.8 42.6 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.654 127.9 -52.8-102.4 73.1 41.7 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.749 82.9 160.2 68.1 28.3 39.3 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.6 32,-0.0 -1,-0.2 -0.702 33.4-143.7 -83.7 99.5 37.1 16.3 17.7 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.432 17.5-173.7 -62.5 134.6 35.3 19.5 16.7 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.869 57.1 -31.8 -96.0 -43.7 34.8 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.4 -0.940 36.3-130.9-173.2 152.4 32.7 24.6 18.3 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.460 75.2 113.9 -92.3 -0.5 32.1 26.6 15.2 36 36 A S S S- 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.410 70.7-134.4 -72.2 142.0 32.4 29.8 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.491 75.8 104.2 -76.1 -2.3 35.4 32.0 16.4 38 38 A S > - 0 0 46 1,-0.2 4,-1.9 -13,-0.0 -2,-0.1 -0.741 57.8-159.8 -92.1 125.2 36.1 32.4 20.0 39 39 A L H > S+ 0 0 75 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.783 97.7 56.0 -65.8 -29.2 39.0 30.5 21.6 40 40 A N H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 103.7 50.6 -72.6 -40.6 37.3 31.0 24.9 41 41 A A H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 112.9 49.5 -61.9 -37.2 34.2 29.4 23.7 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.927 109.2 49.3 -67.4 -43.4 36.4 26.5 22.5 43 43 A K H X S+ 0 0 55 -4,-2.6 4,-2.2 1,-0.2 11,-0.2 0.874 111.1 51.5 -63.2 -34.7 38.3 26.1 25.8 44 44 A S H X S+ 0 0 71 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.938 109.7 47.1 -68.9 -43.5 35.1 26.1 27.7 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.871 111.4 55.3 -64.8 -34.5 33.6 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.935 107.1 46.8 -63.7 -46.3 36.9 21.5 25.9 47 47 A D H X>S+ 0 0 37 -4,-2.2 4,-2.6 1,-0.2 5,-1.0 0.864 112.7 50.7 -63.9 -36.8 36.7 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.908 111.5 47.7 -68.2 -41.4 33.1 20.4 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.874 120.9 37.1 -65.3 -41.2 34.0 17.5 27.3 50 50 A I H <5S- 0 0 33 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.739 100.1-128.4 -85.4 -30.5 37.0 16.4 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.824 77.5 69.4 82.4 30.5 35.6 17.1 33.0 52 52 A R S - 0 0 9 -2,-0.9 3,-1.1 -11,-0.2 -1,-0.2 0.729 33.3-143.5 -92.9 -27.0 42.5 21.8 30.8 55 55 A N T 3 S- 0 0 125 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.905 74.7 -57.2 59.3 40.7 43.7 25.2 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.552 118.7 100.5 68.7 12.3 43.4 24.0 26.2 57 57 A V B < +C 16 0B 56 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.994 45.0 178.7-132.0 136.8 45.7 21.0 26.5 58 58 A I - 0 0 5 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.825 26.2-110.3-128.8 169.3 44.8 17.3 26.9 59 59 A T > - 0 0 64 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.459 33.8-105.6 -94.2 171.1 46.6 14.0 27.3 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.850 120.2 54.7 -63.3 -37.5 46.8 11.2 24.8 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 108.5 49.2 -63.3 -43.0 44.4 9.1 26.9 62 62 A E H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 110.5 50.1 -64.0 -41.5 41.8 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -34,-0.4 0.910 112.2 48.9 -63.1 -42.8 42.1 12.3 23.1 64 64 A E H X S+ 0 0 71 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.863 109.4 51.4 -66.0 -35.5 41.6 8.6 22.7 65 65 A K H X S+ 0 0 135 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.941 110.3 47.9 -67.6 -43.4 38.6 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.925 111.9 52.0 -60.7 -40.1 37.0 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.936 106.2 51.7 -63.8 -48.4 37.8 9.6 19.8 68 68 A N H X S+ 0 0 88 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.940 112.9 47.4 -54.9 -44.6 36.2 6.3 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.894 111.4 50.0 -62.0 -43.7 33.0 8.4 21.9 70 70 A D H X S+ 0 0 37 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.863 110.6 48.4 -66.5 -35.5 33.0 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.945 113.6 47.6 -69.2 -45.1 33.3 6.9 16.5 72 72 A D H X S+ 0 0 102 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.964 113.7 47.1 -57.6 -51.0 30.6 5.2 18.5 73 73 A A H X S+ 0 0 64 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.892 111.3 51.6 -60.3 -42.8 28.4 8.3 18.1 74 74 A A H X S+ 0 0 12 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.946 113.8 43.8 -58.8 -49.3 29.1 8.5 14.4 75 75 A T H X S+ 0 0 31 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.947 113.9 48.7 -62.1 -47.9 28.2 4.8 13.9 76 76 A R H X S+ 0 0 129 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.863 108.0 56.3 -62.1 -35.4 25.1 4.9 16.0 77 77 A G H X S+ 0 0 10 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.884 104.1 53.5 -65.1 -37.8 23.9 8.1 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 7,-0.3 0.943 108.0 49.6 -60.3 -46.3 24.1 6.2 10.9 79 79 A L H 3< S+ 0 0 65 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.815 112.6 49.1 -64.3 -26.5 21.9 3.4 12.3 80 80 A R H 3< S+ 0 0 173 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.502 92.1 89.8 -88.3 -9.9 19.4 6.0 13.5 81 81 A N S+ 0 0 0 -3,-0.3 4,-2.6 -6,-0.2 3,-0.4 0.835 100.4 70.5 -90.7 -37.9 21.8 6.2 5.9 85 85 A K H X S+ 0 0 84 -4,-2.9 4,-2.5 -7,-0.3 5,-0.2 0.893 97.5 50.0 -49.5 -46.5 20.9 3.0 7.7 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.868 111.2 49.8 -66.2 -31.3 19.8 1.1 4.6 87 87 A V H > S+ 0 0 2 -3,-0.4 4,-0.9 -4,-0.4 -2,-0.2 0.954 112.0 47.2 -68.8 -48.2 23.0 2.0 2.8 88 88 A Y H >< S+ 0 0 28 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.922 110.1 52.4 -57.8 -46.0 25.2 1.0 5.7 89 89 A D H 3< S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.880 107.2 53.8 -62.1 -33.4 23.3 -2.3 6.2 90 90 A S H 3< S+ 0 0 38 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.678 97.1 90.2 -73.4 -19.6 23.8 -3.2 2.5 91 91 A L S << S- 0 0 6 -4,-0.9 2,-0.1 -3,-0.9 31,-0.0 -0.491 75.4-119.0 -82.8 156.0 27.6 -2.6 2.6 92 92 A D > - 0 0 53 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.265 43.3 -93.1 -77.6 169.3 30.4 -4.9 3.4 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.855 122.1 49.9 -57.4 -41.3 32.7 -4.3 6.3 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.3 62,-0.2 -1,-0.2 0.928 113.1 44.6 -64.1 -48.1 35.3 -2.3 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.787 105.5 62.6 -69.7 -28.8 32.9 0.1 2.8 96 96 A R H X S+ 0 0 80 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.928 100.8 53.8 -59.6 -39.5 31.0 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.905 104.9 54.8 -62.9 -38.3 34.2 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.896 108.1 47.8 -61.2 -41.2 34.2 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.875 110.3 51.7 -69.0 -36.6 30.7 5.7 5.2 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.917 107.4 54.7 -65.5 -40.5 31.5 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.961 108.6 46.8 -58.0 -50.1 34.6 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.924 112.7 49.8 -60.3 -40.0 32.5 10.5 5.8 103 103 A V H X S+ 0 0 10 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.924 108.7 53.4 -65.5 -38.6 29.9 10.9 8.7 104 104 A F H < S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.884 116.8 38.0 -61.5 -39.0 32.7 11.6 11.2 105 105 A Q H < S+ 0 0 56 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.878 132.2 21.1 -80.2 -44.3 34.0 14.4 9.0 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.545 102.1-113.4-111.6 -1.7 30.9 15.9 7.7 107 107 A G H X - 0 0 33 -4,-2.6 4,-1.9 -5,-0.3 5,-0.2 0.065 33.5 -84.4 84.1 153.3 28.1 15.0 10.0 108 108 A E H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.819 126.5 54.1 -65.5 -35.2 25.1 12.9 9.3 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.924 107.0 50.9 -67.9 -43.5 23.2 15.6 7.7 110 110 A G H >< S+ 0 0 33 -4,-0.5 3,-0.7 2,-0.2 -2,-0.2 0.916 114.9 42.2 -58.0 -48.5 25.9 16.4 5.3 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-2.7 1,-0.2 -2,-0.2 0.917 105.0 62.6 -65.9 -46.6 26.3 12.7 4.2 112 112 A A H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.699 96.0 64.7 -53.7 -19.9 22.5 12.1 4.0 113 113 A G T << S+ 0 0 54 -3,-0.7 2,-1.4 -4,-0.7 3,-0.3 0.555 75.2 86.3 -81.1 -12.6 22.5 14.9 1.3 114 114 A F <> + 0 0 38 -3,-2.7 4,-2.6 1,-0.2 3,-0.3 -0.289 55.9 156.9 -81.7 47.1 24.6 12.8 -1.2 115 115 A T H > + 0 0 68 -2,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.843 66.2 46.6 -40.4 -54.1 21.3 11.2 -2.3 116 116 A N H > S+ 0 0 97 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 114.3 47.0 -61.1 -43.6 22.6 10.1 -5.8 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.904 110.5 52.9 -66.7 -42.2 25.8 8.6 -4.4 118 118 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.906 108.2 51.4 -59.6 -41.7 24.0 6.7 -1.7 119 119 A R H X S+ 0 0 162 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.942 111.1 46.7 -63.2 -43.7 21.7 5.2 -4.2 120 120 A M H <>S+ 0 0 39 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.874 111.3 52.5 -67.1 -35.6 24.6 4.1 -6.4 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.954 108.5 49.5 -64.8 -45.9 26.4 2.6 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 111.8 49.2 -61.3 -30.0 23.3 0.7 -2.3 123 123 A Q T 3<5S- 0 0 73 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.470 113.3-123.0 -85.8 -4.8 23.0 -0.7 -5.9 124 124 A K T < 5 + 0 0 97 -3,-1.9 2,-1.2 -4,-0.3 -3,-0.2 0.799 60.3 148.3 63.9 35.9 26.7 -1.6 -5.8 125 125 A R >< + 0 0 114 -5,-2.5 4,-2.3 1,-0.2 -1,-0.2 -0.739 20.4 174.7 -96.7 77.8 27.6 0.5 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.870 69.2 45.2 -57.4 -47.1 31.1 1.2 -7.5 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 115.1 48.8 -67.7 -40.1 32.6 3.1 -10.4 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.898 110.8 50.0 -65.8 -40.4 29.6 5.2 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.893 107.8 55.0 -65.4 -37.6 29.4 6.1 -7.2 130 130 A A H X S+ 0 0 13 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.909 110.4 45.9 -60.8 -41.0 33.1 7.0 -7.3 131 131 A V H >X S+ 0 0 88 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.951 114.6 46.4 -66.3 -50.2 32.5 9.4 -10.1 132 132 A N H >< S+ 0 0 40 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.914 107.4 57.1 -61.6 -41.3 29.4 10.9 -8.5 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.3 -1,-0.2 0.849 100.4 60.4 -58.9 -32.6 31.1 11.3 -5.0 134 134 A A H << S+ 0 0 27 -4,-1.0 2,-1.8 -3,-0.6 -1,-0.3 0.650 83.9 79.8 -72.5 -17.3 33.8 13.4 -6.6 135 135 A K S << S+ 0 0 156 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 -0.594 81.3 97.2 -87.6 74.0 31.4 16.1 -7.8 136 136 A S S > S- 0 0 18 -2,-1.8 4,-1.8 1,-0.1 5,-0.2 -0.995 85.3-115.8-157.1 158.2 31.2 17.7 -4.5 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.899 114.6 63.6 -60.6 -39.2 32.6 20.5 -2.4 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.917 104.4 43.3 -49.2 -51.5 34.0 17.7 -0.2 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.2 49.0 -67.3 -40.3 36.2 16.4 -2.9 140 140 A N H < S+ 0 0 109 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.841 115.9 42.8 -69.4 -33.6 37.4 19.9 -4.0 141 141 A Q H < S+ 0 0 106 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.867 131.4 20.7 -80.6 -41.9 38.2 21.0 -0.5 142 142 A T S X S+ 0 0 23 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 -0.592 72.7 161.9-128.9 72.8 39.9 17.9 0.8 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.850 70.8 50.6 -60.7 -44.8 41.0 16.1 -2.3 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.913 115.8 40.9 -62.5 -45.9 43.6 13.7 -0.8 145 145 A R H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.931 114.6 52.7 -68.2 -46.1 41.4 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.909 107.1 52.5 -58.0 -42.2 38.3 12.2 -0.3 147 147 A K H X S+ 0 0 87 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.898 107.4 52.3 -60.8 -38.3 40.3 10.2 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.935 113.9 42.0 -62.8 -43.1 41.3 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.919 115.1 51.4 -69.7 -41.9 37.7 7.3 1.0 150 150 A I H X S+ 0 0 13 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.916 108.3 50.3 -60.5 -44.8 36.5 7.1 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.8 4,-2.6 -5,-0.3 6,-0.3 0.882 108.3 56.0 -63.5 -30.4 39.0 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.886 109.9 42.9 -65.7 -44.8 37.8 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.8 51.3 -67.6 -39.3 34.2 2.6 -1.7 154 154 A R H < S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 123.6 24.2 -60.8 -47.2 35.4 1.8 -5.2 155 155 A T H < S- 0 0 42 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.656 86.2-135.2 -98.2 -22.8 37.5 -1.2 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.0 2,-0.3 -5,-0.3 -62,-0.2 0.718 74.2 100.5 69.1 20.6 36.2 -2.6 -1.1 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.831 80.8-119.9-128.7 171.2 39.8 -2.8 0.1 158 158 A W S >> S+ 0 0 44 -2,-0.3 3,-2.0 1,-0.2 4,-0.7 0.106 70.4 123.0 -96.6 20.8 42.1 -0.8 2.3 159 159 A D G >4 + 0 0 90 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.869 66.0 58.2 -52.4 -38.0 44.6 -0.2 -0.4 160 160 A A G 34 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.671 107.5 49.7 -68.3 -13.4 44.5 3.6 -0.2 161 161 A Y G <4 0 0 19 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.510 360.0 360.0-104.5 -3.1 45.5 3.4 3.4 162 162 A K << 0 0 174 -3,-1.4 -2,-0.2 -4,-0.7 -3,-0.1 0.881 360.0 360.0 -97.0 360.0 48.4 1.1 2.8