==== 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 130L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR P.PJURA,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 158.6 43.6 -1.8 9.1 2 2 A N > - 0 0 69 95,-0.0 4,-2.7 156,-0.0 5,-0.2 -0.887 360.0 -79.7-152.7 177.4 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.826 124.6 50.6 -54.5 -40.3 38.2 2.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 112.7 43.9 -67.4 -48.0 40.3 3.6 14.1 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.880 114.3 52.2 -63.7 -38.7 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.960 112.6 43.4 -61.7 -51.8 42.0 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.845 108.0 59.0 -64.3 -30.2 40.7 7.8 10.9 8 8 A R H X S+ 0 0 97 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.860 108.1 47.3 -68.3 -29.2 43.9 8.2 12.8 9 9 A I H < S+ 0 0 87 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.922 115.2 44.8 -74.4 -42.6 45.7 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 125.5 29.1 -71.4 -34.5 43.1 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.6 19,-0.3 -5,-0.2 -1,-0.2 0.760 90.3-155.7 -98.1 -30.2 42.8 13.2 11.1 12 12 A G < - 0 0 21 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 -0.157 26.7 -86.5 75.1-166.3 46.3 13.0 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.984 41.5 173.9-141.0 127.3 46.7 13.7 16.5 14 14 A R E -A 28 0A 142 14,-1.5 14,-2.2 -2,-0.4 4,-0.1 -0.999 17.7-162.4-134.2 131.9 47.3 17.1 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.429 74.1 62.1 -95.8 2.4 47.3 17.6 21.9 16 16 A K E S-C 57 0B 120 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.917 101.3 -85.2-127.5 145.3 46.9 21.3 21.8 17 17 A I E + 0 0 5 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.257 58.9 169.6 -49.2 136.2 43.8 23.3 20.5 18 18 A Y E -A 26 0A 25 8,-2.9 8,-2.8 -4,-0.1 2,-0.5 -0.880 35.7-104.1-141.1 169.9 44.3 23.8 16.7 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.880 34.2-134.9-100.6 136.5 42.2 25.0 13.8 20 20 A D > - 0 0 48 4,-3.4 3,-1.9 -2,-0.5 -1,-0.1 0.024 41.7 -79.6 -71.9-172.1 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.741 135.8 47.5 -63.8 -22.4 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.270 124.2-103.0 -97.3 1.4 37.8 25.1 7.9 23 23 A G S < S+ 0 0 37 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.647 75.3 142.1 81.4 22.9 39.4 27.2 10.6 24 24 A Y - 0 0 77 1,-0.1 -4,-3.4 9,-0.0 -1,-0.3 -0.762 59.2-103.1 -94.7 146.0 37.4 25.7 13.4 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-2.7 11,-0.4 9,-1.3 -0.414 53.8 158.9 -68.9 127.8 38.8 24.9 16.8 26 26 A T E -AB 18 32A 4 -8,-2.8 -8,-2.9 6,-0.3 2,-0.3 -0.900 19.2-167.8-139.2 167.9 39.6 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 2,-0.2 -0.990 52.3 5.7-153.4 165.7 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.5 -2,-0.3 2,-0.9 -0.480 122.0 -7.9 70.0-130.6 42.9 15.4 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.682 127.5 -51.9-104.6 72.8 41.9 13.2 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-0.9 -19,-0.3 -2,-0.2 0.762 84.7 158.6 71.0 27.0 39.6 15.4 14.8 31 31 A H E < -B 27 0A 34 -4,-2.0 -4,-1.7 1,-0.0 2,-0.2 -0.675 33.3-143.5 -88.8 108.1 37.4 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.435 18.1-176.2 -67.8 135.8 35.6 19.5 16.8 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.920 59.4 -29.3 -94.3 -48.0 35.2 21.8 19.8 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.976 34.6-135.4-164.8 156.4 33.2 24.7 18.4 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.426 74.3 112.9 -96.1 -2.5 32.5 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.432 71.4-133.6 -71.5 147.1 32.8 29.7 17.2 37 37 A P S S+ 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.679 75.8 102.9 -71.4 -19.9 35.7 32.1 16.6 38 38 A S > - 0 0 48 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.608 59.2-156.9 -76.9 123.6 36.4 32.6 20.3 39 39 A L H > S+ 0 0 67 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.725 97.4 55.0 -65.9 -22.4 39.4 30.6 21.7 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 102.7 52.5 -76.6 -44.8 37.7 31.0 25.1 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.918 111.0 49.5 -57.6 -36.9 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.882 110.7 49.4 -67.2 -40.0 36.8 26.5 22.6 43 43 A K H X S+ 0 0 60 -4,-2.1 4,-2.3 2,-0.2 11,-0.2 0.904 110.4 51.2 -66.8 -35.2 38.6 26.2 26.0 44 44 A S H X S+ 0 0 71 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.933 110.6 46.1 -69.7 -41.8 35.4 26.2 27.7 45 45 A E H X S+ 0 0 65 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.904 111.7 55.9 -65.5 -37.1 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.938 107.5 45.0 -60.7 -47.5 37.2 21.6 26.0 47 47 A D H X>S+ 0 0 32 -4,-2.3 4,-2.7 1,-0.2 5,-1.0 0.912 112.5 52.3 -66.6 -36.1 37.2 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.899 110.8 47.7 -65.9 -37.9 33.6 20.6 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.875 121.3 35.7 -70.0 -33.5 34.3 17.6 27.4 50 50 A I H <5S- 0 0 36 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.767 102.4-129.9 -90.0 -27.9 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.764 75.2 80.1 80.8 27.1 35.9 17.3 32.8 52 52 A R S - 0 0 9 -2,-0.8 3,-1.1 -11,-0.2 -1,-0.2 0.751 31.8-144.5 -95.4 -26.4 42.7 21.9 30.7 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.774 73.4 -61.3 64.5 24.1 44.2 25.1 29.7 56 56 A G T 3 S+ 0 0 2 1,-0.2 -39,-1.8 -13,-0.2 2,-0.4 0.553 117.1 98.6 82.5 9.1 43.9 23.9 26.0 57 57 A V B < +C 16 0B 72 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.990 46.4 179.3-127.3 139.8 46.1 21.0 26.4 58 58 A I - 0 0 3 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.823 27.7-109.8-132.6 167.8 45.1 17.3 26.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.488 33.8-104.6 -91.8 172.5 47.0 14.1 27.2 60 60 A K H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.929 121.3 52.0 -58.6 -46.7 47.1 11.3 24.7 61 61 A D H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.854 108.2 51.9 -59.0 -40.3 44.8 9.1 26.7 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 110.4 48.8 -63.0 -41.9 42.3 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.911 110.8 50.6 -60.6 -45.6 42.5 12.4 23.1 64 64 A E H X S+ 0 0 79 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.820 107.3 55.2 -62.6 -30.9 42.0 8.7 22.6 65 65 A K H X S+ 0 0 134 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.948 107.8 46.1 -72.0 -40.1 39.0 8.8 24.9 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 111.9 54.7 -65.3 -34.5 37.3 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.925 106.1 49.4 -65.7 -46.2 38.1 9.5 19.7 68 68 A N H X S+ 0 0 89 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.919 112.8 48.2 -57.9 -42.3 36.5 6.3 21.0 69 69 A Q H X S+ 0 0 97 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.919 111.8 50.5 -64.6 -43.0 33.4 8.3 21.9 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.860 110.0 47.5 -65.5 -35.1 33.3 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.945 113.5 50.3 -73.4 -40.0 33.6 6.8 16.5 72 72 A D H X S+ 0 0 86 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.944 109.9 49.2 -59.6 -46.9 30.9 5.2 18.6 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.902 109.6 52.8 -59.6 -40.5 28.6 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.950 110.8 46.6 -63.5 -47.3 29.2 8.1 14.4 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.958 115.4 45.3 -57.7 -49.3 28.2 4.4 14.2 76 76 A R H X S+ 0 0 117 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.875 111.1 54.1 -65.3 -34.5 25.2 4.9 16.3 77 77 A G H X S+ 0 0 2 -4,-2.6 4,-0.9 -5,-0.3 3,-0.5 0.949 107.3 49.5 -67.2 -42.3 24.2 7.9 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 7,-0.4 0.937 110.7 51.7 -57.8 -42.1 24.4 6.0 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 111.2 46.3 -72.2 -18.4 22.2 3.3 12.5 80 80 A R H 3< S+ 0 0 181 -4,-1.3 2,-0.5 -3,-0.5 -1,-0.3 0.527 92.0 97.9 -93.0 -16.1 19.6 5.6 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.9 -7,-0.2 5,-0.2 0.833 100.0 67.6 -84.6 -38.7 22.1 6.0 6.2 85 85 A K H X S+ 0 0 82 -4,-2.4 4,-3.0 -7,-0.4 5,-0.2 0.913 98.3 49.6 -54.5 -46.2 21.2 2.8 7.8 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.896 112.7 49.4 -66.0 -31.9 20.0 0.9 4.7 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.9 2,-0.2 3,-0.5 0.964 111.4 48.1 -67.2 -50.7 23.1 1.9 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.928 110.2 53.0 -52.2 -47.6 25.3 0.8 5.8 89 89 A D H 3< S+ 0 0 79 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 106.7 52.9 -62.5 -29.0 23.5 -2.5 6.0 90 90 A S H 3< S+ 0 0 36 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.655 96.8 88.4 -81.1 -14.0 24.0 -3.2 2.3 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.9 31,-0.0 -0.472 74.1-120.0 -88.8 159.0 27.8 -2.7 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.291 43.9 -90.2 -80.9 173.5 30.7 -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 0.868 122.0 47.8 -59.7 -40.9 33.1 -4.3 6.1 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.3 1,-0.2 3,-0.2 0.919 113.3 45.7 -63.7 -51.0 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.854 105.2 61.9 -67.2 -30.7 33.1 0.0 2.7 96 96 A R H X S+ 0 0 77 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.922 101.9 53.7 -57.3 -42.0 31.2 0.4 5.9 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.5 -3,-0.2 -1,-0.2 0.896 105.3 53.6 -59.8 -36.7 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.877 108.9 48.6 -64.4 -39.2 34.5 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.884 110.0 51.7 -69.4 -37.7 30.9 5.5 5.3 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.942 106.8 53.9 -63.3 -42.5 31.8 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.953 108.0 49.6 -56.7 -47.0 34.8 8.1 8.0 102 102 A M H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 5,-0.4 0.900 111.5 48.3 -60.4 -41.0 32.6 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 109.3 54.2 -67.7 -33.2 30.1 10.7 8.8 104 104 A F H < S+ 0 0 30 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.922 115.9 39.3 -65.9 -38.4 32.9 11.4 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 133.1 16.9 -75.3 -47.2 34.1 14.2 9.1 106 106 A M H X S- 0 0 53 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.510 102.8-113.4-114.3 -3.9 31.0 15.8 8.0 107 107 A G H X - 0 0 31 -4,-2.1 4,-2.4 -5,-0.4 5,-0.2 0.213 34.6 -78.8 83.3 154.4 28.3 14.7 10.2 108 108 A E H > S+ 0 0 54 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.817 126.1 50.7 -60.0 -33.8 25.3 12.6 9.5 109 109 A T H > S+ 0 0 117 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.923 108.1 51.1 -72.9 -43.3 23.3 15.2 8.0 110 110 A G H < S+ 0 0 32 -4,-0.6 3,-0.5 1,-0.2 4,-0.3 0.942 114.5 44.3 -58.2 -47.8 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.901 106.0 59.2 -64.2 -41.5 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 95.8 69.7 -58.2 -24.9 22.6 12.0 4.2 113 113 A G T 3< S+ 0 0 52 -4,-1.3 2,-2.1 -3,-0.5 3,-0.3 0.662 74.2 83.3 -65.0 -20.4 22.7 14.9 1.8 114 114 A F <> + 0 0 43 -3,-2.5 4,-2.6 -4,-0.3 5,-0.3 -0.263 56.2 158.6 -86.8 60.5 24.6 12.9 -0.8 115 115 A T H > + 0 0 51 -2,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.858 66.1 46.4 -49.7 -49.4 21.4 11.3 -2.0 116 116 A N H > S+ 0 0 105 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.891 114.1 46.6 -64.7 -44.1 22.6 10.3 -5.5 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.856 109.0 57.5 -66.0 -38.3 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.885 107.3 46.6 -60.2 -43.6 24.0 6.9 -1.5 119 119 A R H X S+ 0 0 129 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.919 110.8 52.2 -67.3 -38.1 21.8 5.2 -3.9 120 120 A M H <>S+ 0 0 42 -4,-1.7 5,-2.1 2,-0.2 4,-0.2 0.869 110.0 49.5 -62.2 -40.4 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.928 109.6 50.8 -64.4 -44.0 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.888 109.1 52.0 -63.0 -32.2 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 93 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.490 112.0-121.2 -80.7 -0.8 23.2 -0.4 -5.9 124 124 A K T < 5 + 0 0 102 -3,-1.9 2,-1.3 -4,-0.2 -3,-0.2 0.760 63.7 144.4 67.7 25.7 26.8 -1.5 -5.9 125 125 A R >< + 0 0 114 -5,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.702 22.0 173.8 -97.6 78.5 27.7 0.7 -8.8 126 126 A W H > + 0 0 48 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.878 68.2 45.4 -57.0 -50.8 31.2 1.5 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 114.3 48.7 -66.9 -38.6 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 110.4 50.6 -67.5 -37.5 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.915 107.9 54.4 -64.7 -40.2 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.893 108.6 48.1 -61.8 -40.0 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 88 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.901 113.8 47.0 -66.4 -39.3 32.5 9.7 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.886 106.3 56.6 -70.9 -36.4 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.822 100.3 62.3 -63.0 -29.0 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-1.7 -5,-0.2 -1,-0.2 0.703 84.4 76.7 -71.6 -18.3 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 156 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.589 81.1 99.6 -90.0 73.1 31.5 16.3 -7.6 136 136 A S S > S- 0 0 17 -2,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.987 84.4-116.9-154.7 155.7 31.3 17.8 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.895 114.6 64.5 -60.6 -39.8 32.6 20.6 -2.1 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.930 104.8 43.0 -47.2 -52.7 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 114.5 49.4 -67.5 -40.0 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 116.0 42.6 -70.7 -30.3 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 107 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.868 131.6 19.3 -81.9 -42.0 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 18 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.611 74.8 162.3-128.0 71.4 40.0 18.1 1.1 143 143 A P H > + 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.848 68.9 51.2 -62.2 -41.2 41.0 16.3 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.946 116.1 41.1 -68.6 -39.6 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 114.6 51.6 -67.6 -47.7 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.910 107.9 54.5 -53.9 -43.9 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 104 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.874 106.5 50.4 -57.9 -42.9 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.912 114.2 43.3 -63.7 -43.1 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.927 114.6 50.3 -67.8 -43.2 37.8 7.5 1.0 150 150 A I H X S+ 0 0 15 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.924 109.1 51.1 -57.9 -45.6 36.5 7.4 -2.6 151 151 A S H X S+ 0 0 22 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.855 106.9 55.5 -62.5 -33.2 39.1 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.893 109.0 45.4 -67.0 -43.6 38.0 2.7 -0.7 153 153 A F H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.867 114.5 51.1 -66.6 -36.5 34.4 2.7 -1.9 154 154 A R H < S+ 0 0 111 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.939 124.8 23.3 -65.9 -47.5 35.6 2.0 -5.4 155 155 A T H < S- 0 0 49 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.717 84.3-138.4 -94.8 -27.5 37.8 -1.0 -4.5 156 156 A G S < S+ 0 0 15 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.706 73.2 96.9 74.5 16.6 36.5 -2.4 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.816 82.1-116.2-127.5 176.2 40.1 -2.8 -0.0 158 158 A W S > S+ 0 0 42 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 0.072 72.8 120.1 -99.0 19.4 42.4 -0.7 2.1 159 159 A D G > + 0 0 89 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.803 65.5 60.8 -58.7 -30.4 44.9 -0.0 -0.5 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.596 106.3 50.1 -70.1 -13.3 44.6 3.8 -0.5 161 161 A Y G < 0 0 20 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.382 360.0 360.0-104.7 2.3 45.7 3.6 3.1 162 162 A K < 0 0 174 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.868 360.0 360.0 -98.5 360.0 48.7 1.4 2.3