==== 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) 20-JUN-94 159L . 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) . 8623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 10 6.2 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.1 43.4 -1.9 9.3 2 2 A N > - 0 0 70 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.930 360.0 -76.8-157.6 179.4 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.834 124.6 50.4 -52.8 -45.5 38.1 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 113.5 44.0 -62.5 -47.6 40.2 3.6 14.1 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.861 113.6 53.3 -63.5 -36.1 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.3 0.950 111.6 42.7 -65.8 -49.8 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.4 0.857 108.9 59.9 -66.5 -29.6 40.5 7.9 11.0 8 8 A R H X S+ 0 0 98 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.898 107.7 45.9 -65.7 -34.5 43.8 8.3 12.9 9 9 A I H < S+ 0 0 84 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.934 116.5 44.5 -69.5 -45.7 45.6 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.830 125.7 30.1 -69.9 -32.2 43.0 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.709 91.1-153.9-101.7 -27.6 42.7 13.2 11.1 12 12 A G < - 0 0 24 -4,-1.7 2,-0.3 -5,-0.4 -1,-0.1 -0.218 25.9 -87.7 76.8-170.5 46.1 13.0 12.8 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.943 41.8 173.8-143.2 122.0 46.6 13.6 16.5 14 14 A R E -A 28 0A 137 14,-1.6 14,-2.5 -2,-0.3 4,-0.1 -0.999 20.1-159.8-132.7 130.1 47.2 17.0 18.3 15 15 A L E S+ 0 0 61 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.484 75.2 59.3 -86.6 -7.3 47.3 17.6 22.0 16 16 A K E S-C 57 0B 129 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.903 100.4 -85.1-122.4 157.7 46.6 21.3 21.8 17 17 A I E + 0 0 28 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.254 58.2 168.2 -52.8 136.2 43.7 23.1 20.5 18 18 A Y E -A 26 0A 24 8,-2.8 8,-2.8 -4,-0.1 2,-0.4 -0.885 36.1-102.8-141.8 171.8 44.2 23.7 16.8 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.853 32.6-137.3-101.4 139.2 42.1 24.9 13.9 20 20 A D > - 0 0 49 4,-3.4 3,-2.0 -2,-0.4 -1,-0.1 -0.099 41.1 -80.7 -79.8-173.3 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.713 135.3 49.1 -59.4 -24.9 40.8 22.8 7.5 22 22 A E T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.344 124.9-105.8 -92.1 -3.4 37.6 25.0 7.9 23 23 A G S < S+ 0 0 33 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.694 73.4 143.1 84.4 25.0 39.3 27.1 10.6 24 24 A Y - 0 0 74 1,-0.0 -4,-3.4 13,-0.0 -1,-0.3 -0.797 58.4-101.9-101.3 144.6 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 37 9,-0.6 8,-2.8 11,-0.4 9,-1.4 -0.424 54.1 159.2 -65.8 125.4 38.8 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.8 6,-0.3 2,-0.3 -0.880 19.3-166.1-140.2 165.6 39.5 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.1 -2,-0.3 2,-0.2 -0.987 50.7 1.4-154.7 161.8 41.6 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.9 -0.437 122.9 -5.7 71.0-128.8 42.8 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 -0.668 127.9 -53.4-102.2 71.9 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.770 83.9 159.4 69.5 26.0 39.5 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-2.1 -4,-1.8 1,-0.0 -1,-0.2 -0.697 33.8-142.6 -86.3 105.8 37.3 16.2 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.398 19.2-176.1 -65.4 132.2 35.5 19.4 16.8 33 33 A L E - 0 0 15 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.914 58.2 -26.4 -94.0 -50.1 35.1 21.7 19.7 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.965 34.2-137.7-163.0 153.0 33.1 24.6 18.4 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.514 75.8 110.0 -92.2 -5.9 32.3 26.5 15.3 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.332 72.9-131.4 -69.3 147.4 32.6 29.8 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.270 75.7 101.4 -90.7 19.8 35.6 32.0 16.6 38 38 A S > - 0 0 47 1,-0.1 4,-1.9 -13,-0.0 5,-0.1 -0.900 58.4-156.9-111.1 122.5 36.4 32.5 20.2 39 39 A L H > S+ 0 0 74 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.824 98.1 53.3 -63.5 -34.9 39.3 30.5 21.8 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 103.9 54.4 -70.2 -41.9 37.8 30.9 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.937 112.2 46.6 -56.5 -39.7 34.6 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.875 109.2 52.9 -66.4 -39.2 36.7 26.5 22.7 43 43 A K H X S+ 0 0 57 -4,-2.5 4,-1.9 2,-0.2 11,-0.3 0.885 109.9 50.5 -66.4 -31.8 38.6 26.2 26.0 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.913 109.0 48.2 -73.1 -39.8 35.4 26.0 27.7 45 45 A E H X S+ 0 0 67 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.886 110.8 55.2 -65.5 -38.8 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.922 107.4 45.7 -63.7 -42.6 37.1 21.5 26.0 47 47 A D H X>S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 5,-1.1 0.904 112.3 53.1 -67.9 -35.2 37.0 21.5 29.9 48 48 A K H <5S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.897 110.3 46.8 -64.2 -41.6 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 121.9 35.7 -69.4 -35.8 34.2 17.5 27.4 50 50 A I H <5S- 0 0 35 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.668 101.8-128.0 -91.6 -24.2 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 69 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.848 75.6 77.7 79.8 30.8 35.8 17.2 33.0 52 52 A R S - 0 0 9 -2,-1.0 3,-0.8 -11,-0.3 -1,-0.2 0.766 31.6-144.7 -89.5 -33.1 42.6 21.8 30.8 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.791 72.9 -59.2 68.9 26.8 44.0 25.1 29.7 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.562 117.4 96.8 80.5 9.1 43.8 23.9 26.0 57 57 A V B < +C 16 0B 64 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.995 45.3 176.3-131.5 139.2 46.0 20.9 26.4 58 58 A I - 0 0 3 -43,-1.9 2,-0.2 -2,-0.4 -30,-0.1 -0.814 28.4-109.2-131.2 172.9 45.0 17.2 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.568 34.1-102.7 -99.2 169.9 46.9 14.0 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.877 121.4 54.0 -55.0 -46.4 47.0 11.2 24.7 61 61 A D H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 108.4 49.1 -56.1 -44.3 44.7 9.1 26.8 62 62 A E H > S+ 0 0 39 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 110.4 51.1 -63.2 -42.1 42.1 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -34,-0.4 0.923 110.4 49.8 -61.7 -42.2 42.4 12.3 23.1 64 64 A E H X S+ 0 0 76 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.824 108.3 53.6 -68.8 -28.9 41.8 8.6 22.7 65 65 A K H X S+ 0 0 135 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.943 108.0 47.0 -72.6 -43.6 38.9 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.869 112.5 55.2 -61.7 -35.0 37.2 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.952 105.3 48.3 -63.3 -51.0 38.0 9.5 19.9 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.925 113.8 48.4 -52.6 -45.9 36.3 6.3 21.1 69 69 A Q H X S+ 0 0 99 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.913 111.0 51.0 -62.7 -41.9 33.3 8.3 22.0 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.846 111.1 46.1 -67.2 -34.9 33.3 10.0 18.6 71 71 A V H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.913 111.9 51.7 -76.2 -35.8 33.5 6.9 16.6 72 72 A D H X S+ 0 0 85 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.939 110.0 50.2 -63.0 -40.3 30.8 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.909 108.3 51.8 -64.7 -40.5 28.6 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.965 111.2 47.3 -61.6 -50.3 29.1 8.2 14.4 75 75 A V H X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.945 114.8 46.2 -56.2 -50.5 28.2 4.5 14.1 76 76 A R H X S+ 0 0 106 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.897 109.3 54.9 -65.7 -30.7 25.2 5.0 16.3 77 77 A G H X S+ 0 0 2 -4,-2.9 4,-0.5 -5,-0.3 3,-0.3 0.933 107.5 49.0 -65.5 -44.3 24.2 8.0 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 7,-0.4 0.939 109.4 54.1 -54.3 -47.8 24.2 6.1 11.0 79 79 A L H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.740 111.0 44.8 -65.5 -22.8 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 182 -4,-1.4 2,-0.6 -3,-0.3 -1,-0.3 0.448 92.0 95.7 -98.8 -1.4 19.5 5.7 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 5,-0.2 0.835 100.3 70.2 -87.2 -37.5 21.9 6.0 6.2 85 85 A K H X S+ 0 0 81 -4,-2.8 4,-3.0 -7,-0.4 5,-0.2 0.872 98.1 48.9 -48.4 -47.8 21.1 2.9 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.886 111.7 50.0 -68.3 -32.9 20.0 1.0 4.7 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.2 3,-0.3 0.954 112.6 46.6 -67.2 -48.6 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.940 110.1 53.8 -57.3 -44.6 25.3 0.9 5.8 89 89 A D H 3< S+ 0 0 79 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.5 53.0 -62.6 -30.4 23.4 -2.5 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.661 96.3 86.4 -78.7 -17.8 24.0 -3.1 2.5 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.9 31,-0.0 -0.465 74.9-117.2 -88.6 161.5 27.7 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.278 44.5 -91.1 -78.9 173.6 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.844 122.1 47.8 -60.3 -41.9 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.4 62,-0.2 3,-0.3 0.939 113.3 47.0 -64.4 -49.3 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.843 105.7 59.5 -64.6 -32.4 33.0 0.0 2.7 96 96 A R H X S+ 0 0 81 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.918 101.5 55.8 -59.9 -40.6 31.1 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.883 105.5 52.4 -58.2 -40.1 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.876 108.4 49.2 -64.2 -38.1 34.4 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.906 110.2 52.3 -70.4 -37.7 30.8 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.935 106.9 53.0 -62.3 -40.9 31.7 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 5,-0.2 0.951 108.2 49.1 -62.1 -44.0 34.7 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.909 111.6 48.8 -62.2 -42.3 32.6 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.898 109.8 53.1 -64.2 -36.4 30.0 10.8 8.8 104 104 A F H < S+ 0 0 30 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.913 116.5 39.2 -63.7 -39.1 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.905 133.3 18.9 -74.9 -45.6 34.1 14.3 9.1 106 106 A M H X S- 0 0 52 -4,-3.0 4,-0.7 -5,-0.2 -3,-0.2 0.504 102.1-112.9-110.6 -7.4 30.9 15.8 8.0 107 107 A G H X - 0 0 32 -4,-2.7 4,-2.3 -5,-0.3 5,-0.2 0.127 34.8 -86.1 84.6 152.3 28.1 14.7 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.820 126.8 57.6 -69.2 -27.4 25.3 12.5 9.4 109 109 A T H > S+ 0 0 118 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.944 106.1 48.5 -67.7 -46.8 23.3 15.4 8.2 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-1.0 1,-0.2 -2,-0.2 0.952 115.4 44.8 -57.2 -48.6 26.0 16.3 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.871 101.9 63.3 -63.7 -42.9 26.3 12.7 4.5 112 112 A A H 3< S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 95.8 65.5 -55.2 -20.5 22.5 12.0 4.3 113 113 A G T << S+ 0 0 58 -3,-1.0 2,-1.0 -4,-0.9 3,-0.3 0.477 74.0 86.9 -81.1 -6.5 22.5 14.8 1.5 114 114 A F <> + 0 0 40 -3,-2.2 4,-2.7 1,-0.2 5,-0.3 -0.280 56.9 156.3 -86.2 49.3 24.6 12.8 -0.9 115 115 A T H > + 0 0 80 -2,-1.0 4,-1.7 1,-0.3 -1,-0.2 0.875 65.8 45.5 -46.1 -50.5 21.4 11.3 -2.0 116 116 A N H > S+ 0 0 110 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.913 113.1 47.0 -67.4 -41.7 22.5 10.3 -5.4 117 117 A S H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.890 110.1 56.3 -64.8 -37.9 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.890 106.6 49.3 -58.5 -44.7 24.0 6.8 -1.5 119 119 A A H X S+ 0 0 57 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.894 111.9 48.4 -64.2 -38.4 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 47 -4,-1.7 5,-2.5 2,-0.2 4,-0.3 0.877 111.3 49.5 -70.5 -37.5 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.944 110.2 51.5 -64.5 -43.7 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.875 110.1 48.3 -61.2 -36.0 23.3 0.9 -2.3 123 123 A A T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.455 114.4-119.5 -84.0 -0.6 23.0 -0.5 -5.7 124 124 A K T < 5 + 0 0 100 -3,-1.9 2,-1.1 -4,-0.3 -3,-0.2 0.782 62.1 147.0 65.6 36.7 26.7 -1.5 -5.8 125 125 A R >< + 0 0 137 -5,-2.5 4,-2.5 1,-0.2 -1,-0.2 -0.725 20.6 174.7-102.3 78.7 27.6 0.7 -8.8 126 126 A W H > S+ 0 0 48 -2,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.875 70.1 44.3 -55.9 -53.8 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 115.6 48.8 -63.4 -42.0 32.6 3.3 -10.4 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 110.7 50.2 -65.5 -42.2 29.5 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.918 108.5 53.3 -61.3 -40.3 29.3 6.2 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.911 108.9 49.6 -61.6 -40.0 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 91 -4,-2.1 4,-0.5 -5,-0.2 3,-0.5 0.956 113.4 44.4 -64.7 -47.5 32.4 9.6 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.922 107.4 59.0 -66.1 -40.6 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.4 6,-0.4 1,-0.3 -1,-0.2 0.842 100.0 59.2 -57.7 -30.4 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.4 -3,-0.5 -1,-0.3 0.631 85.6 78.0 -75.0 -17.0 33.8 13.6 -6.5 135 135 A K S << S+ 0 0 163 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 -0.610 81.2 98.6 -92.1 70.4 31.4 16.3 -7.7 136 136 A S S > S- 0 0 18 -2,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.995 84.5-119.2-152.4 154.5 31.2 17.8 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.895 114.1 65.8 -62.3 -39.0 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.940 105.4 41.8 -46.2 -50.8 33.9 17.8 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.2 50.1 -69.0 -39.1 36.2 16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 115.9 42.1 -69.7 -32.1 37.3 20.0 -3.8 141 141 A Q H < S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 131.5 20.2 -83.0 -39.5 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.562 74.2 161.3-129.7 69.0 39.9 18.1 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.820 69.2 51.9 -61.8 -38.1 40.9 16.2 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.922 115.8 40.7 -68.6 -41.2 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.933 115.4 51.8 -68.3 -47.1 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.928 107.3 52.9 -55.2 -45.3 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 101 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.880 108.4 52.4 -58.5 -37.8 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.946 112.7 41.4 -65.8 -43.6 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 114.4 53.0 -69.5 -41.5 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.9 -5,-0.3 -1,-0.2 0.900 107.9 49.8 -59.4 -41.8 36.4 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.2 4,-3.0 1,-0.2 6,-0.4 0.849 108.4 56.0 -65.7 -31.8 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.921 111.0 41.5 -65.7 -46.2 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.917 116.0 51.3 -66.6 -42.1 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 98 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.954 124.8 23.5 -58.9 -49.6 35.4 2.0 -5.3 155 155 A T H < S- 0 0 48 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.698 85.4-134.0 -93.3 -27.8 37.5 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.694 74.8 100.7 76.7 15.3 36.4 -2.5 -1.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.872 79.6-121.8-128.5 172.6 40.0 -2.7 -0.1 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.6 1,-0.2 4,-0.5 0.204 71.2 120.2 -93.5 14.5 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 96 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.788 65.4 61.2 -52.2 -32.2 44.8 -0.0 -0.5 160 160 A A G 34 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.649 107.0 49.3 -71.0 -12.8 44.5 3.8 -0.4 161 161 A Y G <4 0 0 19 -3,-2.6 -1,-0.2 -13,-0.1 -2,-0.2 0.489 360.0 360.0-106.0 0.7 45.7 3.5 3.2 162 162 A K << 0 0 177 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.927 360.0 360.0 -95.3 360.0 48.7 1.3 2.6