==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 25-JAN-91 5LZM . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.A.BELL,K.WILSON,X.-J.ZHANG,H.R.FABER,H.NICHOLSON, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8641.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 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 0 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 2 0 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 65 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 140.7 43.9 -2.0 8.9 2 2 A N > - 0 0 69 1,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.822 360.0 -91.5-135.3 173.0 40.9 -0.8 10.9 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.851 122.8 53.3 -54.4 -40.4 38.7 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 112.1 44.2 -64.3 -43.1 40.9 3.7 14.1 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.895 113.6 51.5 -68.9 -39.8 44.1 3.4 12.0 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.958 113.6 42.3 -61.2 -52.1 42.3 4.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.862 109.3 58.4 -66.5 -33.6 41.0 7.9 10.9 8 8 A R H X S+ 0 0 106 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.921 108.7 47.0 -63.7 -35.3 44.3 8.4 12.7 9 9 A I H < S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.969 116.9 42.5 -66.7 -49.3 46.0 8.7 9.2 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.788 125.2 31.7 -66.0 -34.9 43.4 11.1 7.9 11 11 A E H < S- 0 0 38 -4,-2.5 19,-0.3 1,-0.2 -3,-0.2 0.665 90.0-150.2 -98.5 -28.8 43.1 13.4 11.0 12 12 A G < - 0 0 23 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 -0.244 25.0 -90.0 78.8-176.9 46.5 13.3 12.7 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.972 42.6 176.2-137.1 123.4 47.0 13.7 16.4 14 14 A R E -A 28 0A 134 14,-1.4 14,-2.1 -2,-0.4 4,-0.1 -0.999 18.7-164.0-135.9 128.5 47.5 17.1 18.0 15 15 A L E S+ 0 0 57 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.418 73.7 58.9 -91.1 -5.2 47.8 17.7 21.7 16 16 A K E S-C 57 0B 143 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.950 101.3 -83.7-124.2 148.5 47.1 21.5 21.7 17 17 A I E + 0 0 29 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.072 60.8 171.6 -43.8 140.1 43.9 23.4 20.4 18 18 A Y E -A 26 0A 24 8,-3.1 8,-2.6 -4,-0.1 2,-0.5 -0.907 33.9-106.3-145.6 173.0 44.3 23.9 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.916 31.5-134.1-108.1 141.0 42.4 25.0 13.9 20 20 A D > - 0 0 45 4,-2.8 3,-2.1 -2,-0.5 -1,-0.0 -0.085 40.1 -85.3 -77.2 178.0 41.0 22.6 11.3 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.799 132.7 49.8 -56.4 -31.0 41.2 23.0 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.380 122.8-104.3 -84.9 -9.0 38.0 25.0 7.9 23 23 A G S < S+ 0 0 35 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.449 75.1 136.9 94.3 4.3 39.3 27.3 10.6 24 24 A Y - 0 0 80 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.637 62.2 -99.7 -89.9 152.3 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-3.3 11,-0.4 9,-1.4 -0.422 53.3 163.2 -70.6 123.1 38.8 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-2.6 -8,-3.1 6,-0.3 2,-0.3 -0.867 17.9-168.2-137.9 160.2 39.8 21.3 17.2 27 27 A I E > - B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.2 -0.967 52.6 -2.4-147.2 158.6 41.9 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.4 -2,-0.3 2,-1.0 -0.331 122.9 -2.5 67.9-132.4 43.2 15.5 19.5 29 29 A I T 4 S- 0 0 6 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.643 128.4 -53.8 -99.2 74.5 42.2 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.754 84.5 160.9 65.5 28.1 39.9 15.5 14.7 31 31 A H E < -B 27 0A 33 -4,-2.1 -4,-1.4 1,-0.0 -1,-0.2 -0.678 32.5-144.5 -81.4 99.6 37.7 16.3 17.8 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.433 20.1-178.4 -64.2 131.4 35.8 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.869 57.2 -23.4 -95.5 -43.1 35.4 21.7 19.9 34 34 A T E -B 25 0A 25 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.965 31.8-142.8-166.6 154.7 33.4 24.7 18.5 35 35 A K S S+ 0 0 128 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.496 72.5 110.3 -98.1 -11.4 32.6 26.7 15.5 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.292 75.5-126.4 -65.3 145.8 32.6 29.9 17.5 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.631 77.6 105.0 -69.5 -5.0 35.5 32.2 16.7 38 38 A S > - 0 0 46 1,-0.2 4,-1.9 2,-0.1 3,-0.2 -0.609 56.2-161.9 -91.9 128.7 36.5 32.4 20.2 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.683 99.7 58.3 -64.8 -17.0 39.5 30.6 21.6 40 40 A N H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.878 100.6 49.5 -82.6 -39.4 37.8 31.2 24.8 41 41 A A H > S+ 0 0 32 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 112.4 53.5 -61.2 -38.6 34.7 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.873 106.7 48.7 -62.3 -47.3 37.1 26.5 22.7 43 43 A K H X S+ 0 0 61 -4,-1.9 4,-2.3 1,-0.2 11,-0.3 0.870 112.6 49.6 -63.3 -34.7 39.0 26.3 26.0 44 44 A S H X S+ 0 0 73 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.919 109.5 49.6 -70.2 -44.7 35.8 26.2 27.8 45 45 A E H X S+ 0 0 66 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.929 110.0 54.1 -61.7 -42.1 34.4 23.5 25.6 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.951 106.9 48.4 -56.8 -51.4 37.6 21.5 26.2 47 47 A D H X>S+ 0 0 40 -4,-2.3 4,-1.7 1,-0.2 5,-1.3 0.894 112.5 51.3 -54.7 -39.1 37.3 21.7 30.0 48 48 A K H <5S+ 0 0 143 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.916 109.7 48.8 -62.5 -46.9 33.7 20.5 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.896 121.1 34.2 -63.5 -39.9 34.8 17.6 27.4 50 50 A I H <5S- 0 0 26 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.588 100.8-126.1 -89.8 -22.1 37.6 16.4 29.8 51 51 A G T <5S+ 0 0 67 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.817 80.2 71.3 75.1 30.0 36.0 17.3 33.1 52 52 A R S - 0 0 20 -2,-0.8 3,-0.9 -11,-0.3 -1,-0.2 0.741 33.6-147.5-109.8 -27.9 43.0 21.9 30.7 55 55 A N T 3 S- 0 0 121 1,-0.2 -2,-0.1 -12,-0.2 -12,-0.1 0.945 75.2 -50.7 54.2 55.4 44.0 25.3 29.4 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.480 117.1 97.6 67.0 9.8 44.1 24.2 25.8 57 57 A V B < -C 16 0B 73 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.973 44.4-179.7-135.7 143.3 46.2 21.2 26.2 58 58 A I - 0 0 5 -43,-2.7 2,-0.1 -2,-0.4 -30,-0.1 -0.941 25.6-114.7-133.6 162.9 45.6 17.4 26.5 59 59 A T > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.386 34.8-109.6 -85.5 166.8 47.5 14.2 27.0 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.852 119.6 56.0 -59.9 -39.2 47.5 11.4 24.3 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 107.4 47.2 -60.2 -45.5 45.3 9.3 26.6 62 62 A E H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.884 110.7 54.5 -60.3 -41.4 42.7 12.0 26.7 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -34,-0.5 0.869 110.0 45.8 -61.0 -40.7 43.0 12.3 23.0 64 64 A E H X S+ 0 0 74 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.809 108.9 55.0 -74.1 -31.2 42.3 8.6 22.6 65 65 A K H X S+ 0 0 138 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.970 110.7 45.1 -64.8 -50.4 39.4 8.7 25.0 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.867 111.2 55.0 -56.0 -42.1 37.7 11.4 23.0 67 67 A F H X S+ 0 0 12 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.951 106.6 50.1 -61.3 -50.2 38.6 9.4 19.8 68 68 A N H X S+ 0 0 90 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 112.4 48.7 -51.0 -47.5 36.8 6.2 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.894 111.3 48.8 -59.7 -44.9 33.8 8.3 22.0 70 70 A D H X S+ 0 0 35 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.874 112.3 46.4 -64.5 -44.1 33.6 10.0 18.6 71 71 A V H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.902 114.1 49.3 -65.9 -45.3 33.9 6.8 16.6 72 72 A D H X S+ 0 0 87 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.940 112.2 47.9 -57.0 -49.4 31.3 5.2 18.8 73 73 A A H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.887 111.6 51.6 -56.5 -45.1 29.0 8.2 18.3 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.962 112.7 44.6 -57.4 -56.3 29.6 8.0 14.5 75 75 A V H X S+ 0 0 34 -4,-2.8 4,-2.1 1,-0.2 3,-0.2 0.963 115.0 46.3 -55.4 -55.8 28.7 4.4 14.3 76 76 A R H X S+ 0 0 119 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.870 110.9 56.1 -56.5 -34.4 25.6 4.7 16.5 77 77 A G H < S+ 0 0 2 -4,-2.1 4,-0.5 -5,-0.3 3,-0.4 0.906 107.0 46.6 -64.1 -46.7 24.6 7.7 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 -3,-0.2 7,-0.5 0.917 111.9 52.4 -57.3 -48.7 24.6 5.9 11.2 79 79 A L H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.621 112.4 44.6 -70.0 -13.3 22.6 2.9 12.7 80 80 A R T 3< S+ 0 0 168 -4,-0.8 2,-0.5 -3,-0.4 -1,-0.2 0.417 93.6 98.6-111.2 4.6 19.9 5.2 14.0 81 81 A N <> - 0 0 27 -3,-1.0 4,-2.7 -4,-0.5 -4,-0.0 -0.774 64.1-148.9 -98.2 125.9 19.7 7.3 10.8 82 82 A A T 4 S+ 0 0 95 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.807 99.1 38.6 -63.4 -32.2 16.9 6.4 8.3 83 83 A K T 4 S+ 0 0 92 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.778 122.1 41.1 -85.6 -37.1 18.8 7.3 5.3 84 84 A L T >> S+ 0 0 0 -7,-0.2 4,-2.5 -6,-0.2 3,-0.7 0.893 100.5 67.5 -84.2 -44.9 22.2 6.0 6.4 85 85 A K H 3X S+ 0 0 79 -4,-2.7 4,-3.1 -7,-0.5 5,-0.2 0.860 99.2 50.1 -44.9 -48.8 21.4 2.7 8.0 86 86 A P H 3> S+ 0 0 49 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.856 111.3 49.5 -63.9 -35.3 20.2 1.0 4.8 87 87 A V H <> S+ 0 0 2 -3,-0.7 4,-0.7 -4,-0.5 3,-0.3 0.953 112.1 47.5 -63.6 -52.1 23.4 2.0 3.0 88 88 A Y H >< S+ 0 0 36 -4,-2.5 3,-1.3 1,-0.2 -3,-0.2 0.924 109.8 53.3 -55.5 -46.6 25.5 0.8 5.8 89 89 A D H 3< S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.5 51.8 -61.2 -32.8 23.7 -2.5 6.0 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.3 2,-0.2 0.595 96.1 89.2 -77.7 -14.6 24.2 -3.2 2.4 91 91 A L S << S- 0 0 7 -3,-1.3 31,-0.0 -4,-0.7 30,-0.0 -0.574 75.0-116.1 -89.6 159.7 27.9 -2.6 2.3 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.219 45.0 -93.2 -77.1 169.7 30.9 -4.9 2.9 93 93 A A H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.853 121.2 46.9 -57.8 -46.1 33.2 -4.3 5.9 94 94 A V H >> S+ 0 0 27 2,-0.2 4,-1.3 62,-0.2 3,-0.8 0.960 113.9 47.1 -62.1 -54.1 35.9 -2.1 4.2 95 95 A R H 3> S+ 0 0 23 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.825 105.9 61.4 -57.9 -31.3 33.3 0.1 2.5 96 96 A R H 3X S+ 0 0 81 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.906 101.3 52.9 -59.4 -39.7 31.5 0.3 5.8 97 97 A C H S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.846 129.7 50.8 -54.8 -42.8 25.4 12.6 9.9 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 107.6 52.0 -65.8 -47.8 23.6 15.5 8.3 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.6 1,-0.2 4,-0.3 0.940 113.7 43.7 -52.9 -53.2 26.3 16.3 5.9 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.888 105.1 61.0 -63.6 -41.0 26.5 12.7 4.7 112 112 A A H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.822 95.2 66.0 -59.5 -24.1 22.8 12.3 4.4 113 113 A G T << S+ 0 0 58 -4,-1.4 2,-1.1 -3,-0.6 3,-0.3 0.632 76.9 84.0 -71.0 -14.3 22.8 15.1 1.9 114 114 A F X> + 0 0 41 -3,-2.2 4,-2.6 -4,-0.3 3,-0.5 -0.215 57.7 156.2 -83.7 47.7 24.8 13.1 -0.6 115 115 A T H 3> + 0 0 67 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.866 66.6 44.5 -36.2 -62.4 21.5 11.4 -1.8 116 116 A N H 3> S+ 0 0 82 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.859 115.1 48.4 -61.1 -38.3 22.5 10.4 -5.3 117 117 A S H <> S+ 0 0 1 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.888 110.2 51.1 -66.8 -49.3 25.9 8.9 -4.2 118 118 A L H X S+ 0 0 10 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.890 109.8 51.9 -54.3 -44.2 24.3 7.0 -1.3 119 119 A R H X S+ 0 0 111 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.907 110.2 47.4 -61.1 -44.6 21.8 5.6 -3.9 120 120 A M H <>S+ 0 0 30 -4,-2.0 5,-2.4 2,-0.2 -1,-0.2 0.815 110.8 51.5 -67.6 -33.6 24.6 4.5 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-1.8 3,-2.0 2,-0.2 -2,-0.2 0.934 107.5 53.1 -67.7 -44.5 26.5 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.895 110.6 48.0 -54.1 -39.4 23.4 1.0 -2.3 123 123 A Q T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.398 112.9-120.1 -81.4 -1.1 23.2 -0.3 -5.8 124 124 A K T < 5 + 0 0 99 -3,-2.0 2,-1.3 1,-0.2 -3,-0.2 0.704 60.9 148.5 64.3 29.3 26.8 -1.3 -5.9 125 125 A R >< + 0 0 111 -5,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.672 19.2 174.1 -94.0 75.2 27.7 1.0 -8.8 126 126 A W H > S+ 0 0 51 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.850 70.1 44.1 -50.7 -57.3 31.3 1.6 -7.7 127 127 A D H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 116.6 47.7 -60.1 -42.0 32.7 3.6 -10.5 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.871 110.0 49.9 -72.0 -38.0 29.7 5.8 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -9,-0.2 -1,-0.2 0.891 108.5 55.8 -62.6 -38.2 29.4 6.5 -7.1 130 130 A A H X S+ 0 0 13 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.883 108.0 47.6 -59.9 -44.7 33.1 7.5 -7.2 131 131 A V H < S+ 0 0 88 -4,-1.7 4,-0.5 1,-0.2 3,-0.3 0.911 114.2 46.6 -64.0 -44.0 32.5 10.1 -10.0 132 132 A N H >< S+ 0 0 47 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.889 106.5 55.7 -70.1 -38.5 29.6 11.6 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.4 1,-0.2 -1,-0.2 0.828 102.1 60.0 -59.9 -35.2 31.2 11.8 -4.7 134 134 A A T 3< S+ 0 0 28 -4,-1.1 2,-1.6 -3,-0.3 -1,-0.2 0.621 86.5 79.8 -72.0 -14.1 34.1 13.9 -6.3 135 135 A K S < S+ 0 0 150 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.509 80.9 98.0 -90.7 66.6 31.6 16.5 -7.4 136 136 A S S > S- 0 0 15 -2,-1.6 4,-2.1 1,-0.2 5,-0.2 -0.999 85.3-117.4-153.4 154.9 31.4 18.1 -4.1 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.933 115.9 62.8 -54.1 -41.5 32.6 20.9 -1.9 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.902 105.7 42.7 -49.6 -50.7 34.1 18.1 0.2 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.906 114.2 50.3 -64.8 -45.9 36.3 16.9 -2.6 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 114.7 44.9 -61.0 -42.8 37.4 20.5 -3.6 141 141 A Q H < S+ 0 0 104 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.887 131.9 14.9 -70.9 -45.4 38.2 21.4 -0.1 142 142 A T S X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 -0.648 73.6 165.6-131.7 71.1 40.2 18.3 1.1 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.801 71.6 50.3 -60.2 -37.9 41.0 16.5 -2.2 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.889 115.6 41.9 -72.4 -38.4 43.7 14.0 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.930 115.6 51.1 -67.2 -48.3 41.6 12.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -8,-0.2 5,-0.2 0.893 109.4 51.7 -53.4 -42.6 38.5 12.7 -0.2 147 147 A K H X S+ 0 0 84 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.852 107.9 51.0 -63.6 -39.1 40.5 10.6 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.3 4,-1.6 -3,-0.2 12,-0.2 0.946 114.8 41.9 -63.8 -49.0 41.5 8.2 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.898 115.2 51.7 -64.1 -42.0 37.9 7.6 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 0.888 108.6 49.7 -62.8 -42.5 36.6 7.6 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.2 4,-2.6 2,-0.2 6,-0.4 0.833 106.4 57.0 -64.1 -36.5 39.2 5.0 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.924 110.9 43.9 -61.6 -41.2 38.1 2.9 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.3 50.1 -69.6 -38.9 34.5 2.9 -1.9 154 154 A R H < S+ 0 0 110 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.923 125.2 22.9 -65.2 -47.6 35.6 2.3 -5.4 155 155 A T H < S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.643 85.8-134.9 -95.8 -26.2 37.8 -0.7 -4.8 156 156 A G S < S+ 0 0 18 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.763 72.7 102.5 71.5 23.6 36.7 -2.2 -1.5 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.812 81.0-118.0-128.2 172.3 40.3 -2.5 -0.4 158 158 A W S > S+ 0 0 32 -2,-0.2 3,-1.8 1,-0.2 4,-0.4 0.163 73.8 120.9 -91.6 15.7 42.7 -0.6 1.9 159 159 A D G > + 0 0 113 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.835 66.0 58.0 -51.9 -36.5 45.0 0.3 -1.0 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.738 111.0 44.0 -66.7 -21.7 44.7 4.1 -0.5 161 161 A Y G < 0 0 20 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.261 360.0 360.0-102.8 0.1 46.0 3.8 3.0 162 162 A K < 0 0 169 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.2 0.721 360.0 360.0-115.5 360.0 48.6 1.4 2.1