==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-96 211L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR I.R.VETTER,W.A.BAASE,D.W.HEINZ,J.-P.XIONG,S.SNOW, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.8 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.1 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 2 0 1 1 2 0 0 1 2 0 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 . 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, 0.0 158,-0.0 0.000 360.0 360.0 360.0 146.5 43.5 -1.8 9.2 2 2 A N > - 0 0 69 157,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.941 360.0 -79.0-153.9 179.1 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.812 124.4 52.0 -56.6 -39.6 38.2 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 113.3 42.8 -65.8 -48.8 40.3 3.7 14.2 5 5 A E H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.873 113.6 53.7 -61.0 -42.2 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.947 112.5 41.3 -60.1 -52.2 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.868 109.3 59.4 -67.8 -30.4 40.7 7.9 10.9 8 8 A R H X S+ 0 0 95 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.899 108.3 47.1 -63.8 -34.2 43.9 8.3 12.9 9 9 A I H < S+ 0 0 86 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.946 116.2 43.1 -67.2 -49.9 45.7 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.833 124.2 33.1 -66.3 -35.0 43.2 11.0 8.2 11 11 A E H < S- 0 0 44 -4,-3.0 19,-0.4 1,-0.2 -1,-0.2 0.679 90.2-152.3 -98.4 -25.4 42.9 13.2 11.2 12 12 A G < - 0 0 24 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.249 24.4 -89.2 75.8-177.0 46.3 13.2 12.9 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.948 42.0 172.4-140.8 118.6 46.7 13.7 16.6 14 14 A R E -A 28 0A 139 14,-1.8 14,-2.4 -2,-0.4 4,-0.1 -1.000 18.2-163.9-130.5 130.5 47.3 17.1 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.445 74.1 61.0 -90.7 -7.3 47.3 17.6 22.0 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.906 102.3 -85.0-119.5 146.4 46.9 21.4 22.0 17 17 A I E + 0 0 15 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.269 58.6 169.5 -50.6 135.6 43.8 23.3 20.5 18 18 A Y E -A 26 0A 26 8,-3.1 8,-2.9 -4,-0.1 2,-0.4 -0.881 35.1-103.7-139.2 174.7 44.3 23.9 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.865 33.4-135.8-104.8 139.0 42.2 25.0 13.9 20 20 A D > - 0 0 48 4,-3.0 3,-2.2 -2,-0.4 -1,-0.1 -0.051 41.3 -80.8 -79.1-172.5 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.764 135.9 48.5 -63.2 -23.1 41.0 22.8 7.6 22 22 A E T 3 S- 0 0 88 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.396 123.4-106.4 -92.0 -1.5 37.8 25.0 7.9 23 23 A G S < S+ 0 0 34 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.626 73.5 141.8 82.1 21.8 39.5 27.2 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.756 60.6 -99.6 -95.8 147.6 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 37 9,-0.8 8,-3.1 11,-0.4 9,-1.4 -0.461 55.4 160.1 -70.7 128.5 38.8 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-3.1 6,-0.3 2,-0.3 -0.882 18.2-170.3-142.0 164.2 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.3 -2,-0.3 -12,-0.2 -0.967 51.6 5.8-151.6 166.1 41.8 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.8 -2,-0.3 2,-1.0 -0.346 123.4 -6.5 68.6-135.3 42.9 15.5 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.666 127.8 -53.3 -99.9 76.3 42.0 13.3 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.774 83.6 161.2 66.4 27.6 39.8 15.6 14.8 31 31 A H E < -B 27 0A 31 -4,-2.3 -4,-1.5 1,-0.0 -1,-0.2 -0.658 33.0-141.7 -86.1 107.5 37.5 16.4 17.7 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.416 20.4-177.6 -67.5 131.0 35.7 19.6 16.8 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.874 57.9 -22.3 -95.2 -46.4 35.2 21.9 19.7 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.968 33.7-140.2-165.2 150.5 33.3 24.8 18.4 35 35 A K S S+ 0 0 129 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.516 75.1 111.0 -91.1 -8.6 32.4 26.6 15.2 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.353 72.9-133.8 -68.6 143.6 32.7 29.9 17.2 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.431 76.9 105.4 -78.1 3.9 35.6 32.2 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-2.0 -13,-0.0 5,-0.1 -0.739 55.9-162.7 -95.9 118.3 36.2 32.5 20.2 39 39 A L H > S+ 0 0 61 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.835 95.4 55.3 -64.5 -30.5 39.2 30.7 21.7 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 104.4 52.3 -70.9 -37.0 37.6 31.1 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 110.6 49.1 -60.7 -43.2 34.5 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.872 108.9 52.1 -63.5 -40.5 36.7 26.6 22.6 43 43 A K H X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 11,-0.2 0.885 110.2 49.8 -64.1 -34.8 38.5 26.3 26.0 44 44 A S H X S+ 0 0 70 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.960 110.9 47.8 -67.7 -47.3 35.2 26.1 27.7 45 45 A E H X S+ 0 0 64 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 111.5 52.5 -61.7 -37.3 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.942 109.0 46.9 -65.9 -46.2 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-2.0 1,-0.2 5,-1.1 0.868 112.0 51.6 -62.5 -37.5 37.0 21.6 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.860 111.6 47.3 -64.3 -40.8 33.4 20.5 29.6 49 49 A A H <5S+ 0 0 46 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.888 120.2 37.1 -69.2 -39.3 34.3 17.5 27.3 50 50 A I H <5S- 0 0 34 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.699 101.6-127.7 -85.5 -29.0 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.787 75.8 76.3 84.0 27.1 35.9 17.1 32.9 52 52 A R S - 0 0 9 -2,-0.9 3,-1.1 -11,-0.2 -1,-0.2 0.722 32.0-144.3 -92.0 -28.0 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.827 73.4 -57.3 63.6 28.0 44.0 25.2 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.481 117.6 98.2 84.1 5.2 43.8 24.1 26.1 57 57 A V B < +C 16 0B 69 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.980 45.2 178.0-131.0 135.9 46.0 21.0 26.5 58 58 A I - 0 0 3 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.804 26.7-110.8-127.9 170.8 45.1 17.3 26.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.495 32.4-105.7 -97.7 171.0 47.0 14.1 27.3 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 120.9 52.5 -63.7 -40.7 47.1 11.3 24.8 61 61 A D H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 109.9 49.1 -60.2 -45.2 44.8 9.1 26.9 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 109.5 52.1 -60.9 -44.2 42.3 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.909 110.7 48.4 -56.8 -46.1 42.6 12.4 23.2 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.832 107.6 55.1 -65.3 -35.0 41.9 8.7 22.7 65 65 A K H X S+ 0 0 142 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.950 109.5 45.5 -65.0 -48.5 39.0 8.8 25.0 66 66 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.893 111.7 55.3 -58.1 -39.1 37.3 11.6 23.0 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.926 106.0 49.2 -60.8 -45.7 38.2 9.6 19.8 68 68 A N H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.934 112.3 48.6 -61.3 -43.7 36.4 6.5 21.0 69 69 A Q H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.887 110.7 51.7 -61.0 -42.3 33.3 8.4 21.9 70 70 A D H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.861 107.9 49.8 -64.1 -38.2 33.4 10.2 18.6 71 71 A V H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.941 112.6 48.9 -66.5 -42.6 33.6 6.9 16.6 72 72 A D H X S+ 0 0 89 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.911 110.5 50.7 -58.7 -48.8 30.6 5.5 18.6 73 73 A A H X S+ 0 0 46 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.866 108.2 51.2 -58.7 -43.4 28.7 8.6 18.0 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.930 113.1 46.0 -59.8 -44.9 29.3 8.5 14.2 75 75 A V H X S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.930 113.8 48.1 -65.8 -41.3 28.2 4.9 14.0 76 76 A R H X S+ 0 0 111 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.926 107.8 55.7 -65.0 -35.7 25.2 5.6 16.2 77 77 A G H X S+ 0 0 9 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.901 109.4 47.1 -62.0 -43.2 24.4 8.6 14.0 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 7,-0.3 0.938 110.3 51.4 -66.1 -45.7 24.3 6.4 10.9 79 79 A L H 3< S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 111.3 49.3 -64.6 -24.2 22.1 3.7 12.5 80 80 A R H 3< S+ 0 0 185 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.498 92.2 91.4 -90.6 -10.1 19.6 6.3 13.6 81 81 A N S+ 0 0 112 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.792 118.2 41.6 -89.3 -33.5 18.7 7.4 4.8 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.843 100.5 68.9 -83.4 -38.1 22.0 6.2 6.0 85 85 A K H X S+ 0 0 83 -4,-3.0 4,-2.8 -7,-0.3 5,-0.2 0.911 99.0 47.0 -50.8 -51.1 21.0 3.0 7.8 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.865 113.8 49.8 -63.0 -31.6 20.0 1.0 4.7 87 87 A V H X S+ 0 0 2 -4,-0.5 4,-1.0 -3,-0.3 3,-0.5 0.966 110.8 47.8 -69.7 -50.4 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 31 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.917 111.2 51.2 -55.3 -46.1 25.3 1.1 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.803 107.1 55.1 -64.6 -26.9 23.6 -2.3 6.2 90 90 A S H 3< S+ 0 0 39 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.685 96.3 88.6 -76.5 -18.5 24.0 -3.1 2.5 91 91 A L S << S- 0 0 6 -4,-1.0 2,-0.1 -3,-0.9 32,-0.0 -0.456 76.0-117.8 -84.5 158.7 27.8 -2.5 2.6 92 92 A D > - 0 0 54 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.299 43.6 -93.2 -80.7 170.1 30.7 -4.9 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.822 121.4 49.5 -58.9 -40.2 32.9 -4.2 6.2 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.940 113.2 45.4 -64.4 -48.8 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.835 104.3 62.9 -66.9 -31.1 33.2 0.1 2.8 96 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.914 101.3 54.0 -55.9 -39.4 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.900 103.5 55.3 -63.2 -38.1 34.4 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.902 108.4 48.9 -61.1 -39.1 34.5 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.913 109.4 50.8 -70.4 -35.4 31.0 5.7 5.3 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.933 107.0 56.6 -65.2 -39.5 31.8 6.2 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.941 107.3 47.2 -57.2 -51.8 34.8 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 6,-0.2 0.917 112.7 48.3 -56.5 -46.8 32.7 10.6 6.0 103 103 A V H < S+ 0 0 5 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.932 111.9 50.1 -62.0 -39.3 30.1 11.0 8.8 104 104 A F H >< S+ 0 0 20 -4,-3.2 3,-1.1 1,-0.2 -1,-0.2 0.934 112.8 46.7 -64.2 -42.9 32.9 11.6 11.3 105 105 A Q H 3< S+ 0 0 51 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.914 113.2 46.1 -64.3 -45.8 34.5 14.2 9.1 106 106 A M T 3< S- 0 0 44 -4,-2.4 5,-0.3 -5,-0.2 -1,-0.3 0.202 103.8-138.2 -81.9 8.0 31.2 16.1 8.3 107 107 A G S < S+ 0 0 62 -3,-1.1 2,-0.3 -5,-0.1 -3,-0.2 0.319 74.6 66.0 47.6 -2.1 30.7 15.8 12.0 108 108 A E S > S- 0 0 85 -5,-0.3 4,-1.0 -6,-0.2 3,-0.5 -0.989 73.2-137.3-152.2 143.2 27.1 14.9 11.3 109 108AA A H > S+ 0 0 15 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.802 104.1 67.0 -54.5 -37.9 24.9 12.3 9.7 110 109 A T H > S+ 0 0 98 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.912 94.8 54.3 -47.2 -59.4 22.8 15.1 8.1 111 110 A G H >4 S+ 0 0 25 -3,-0.5 3,-1.2 -5,-0.3 4,-0.3 0.931 116.2 37.3 -41.7 -64.2 25.7 16.2 5.8 112 111 A V H >< S+ 0 0 1 -4,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.812 104.8 66.0 -62.2 -41.4 26.2 12.8 4.4 113 112 A A H 3< S+ 0 0 8 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.734 95.2 66.2 -55.0 -19.8 22.5 11.8 4.3 114 113 A G T << S+ 0 0 51 -3,-1.2 2,-3.0 -4,-1.1 3,-0.3 0.761 74.4 86.0 -69.8 -33.8 22.3 14.7 1.7 115 114 A F <> + 0 0 48 -3,-1.6 4,-2.5 -4,-0.3 5,-0.2 -0.293 57.8 160.2 -68.0 56.2 24.5 12.9 -1.0 116 115 A T H > + 0 0 73 -2,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.854 63.7 47.1 -51.7 -55.4 21.4 11.2 -2.2 117 116 A N H > S+ 0 0 87 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.874 114.0 47.6 -61.1 -38.6 22.5 10.2 -5.6 118 117 A S H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.884 110.6 54.2 -68.7 -35.9 25.8 8.8 -4.3 119 118 A L H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 108.0 48.5 -61.1 -46.7 24.0 6.9 -1.6 120 119 A R H X S+ 0 0 112 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.916 111.0 50.6 -63.2 -38.9 21.7 5.3 -4.1 121 120 A M H <>S+ 0 0 24 -4,-1.9 5,-2.2 1,-0.2 4,-0.4 0.888 109.5 50.5 -67.6 -38.4 24.6 4.3 -6.2 122 121 A L H ><5S+ 0 0 3 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.928 109.4 50.8 -64.6 -42.9 26.4 2.8 -3.3 123 122 A Q H 3<5S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 109.9 50.0 -63.0 -31.9 23.4 0.8 -2.3 124 123 A Q T 3<5S- 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.524 112.8-122.9 -82.8 -5.6 23.1 -0.5 -5.9 125 124 A K T < 5 + 0 0 101 -3,-1.3 2,-1.3 -4,-0.4 -3,-0.2 0.772 62.3 145.1 67.8 30.2 26.8 -1.5 -5.8 126 125 A R >< + 0 0 112 -5,-2.2 4,-2.2 1,-0.2 -1,-0.2 -0.718 21.7 173.2 -97.5 76.8 27.7 0.7 -8.8 127 126 A W H > + 0 0 48 -2,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.865 68.0 47.7 -59.0 -48.4 31.1 1.5 -7.4 128 127 A D H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 114.5 48.3 -64.8 -39.5 32.8 3.3 -10.3 129 128 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.885 111.0 48.9 -65.6 -41.8 29.7 5.5 -10.8 130 129 A A H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.915 108.2 56.6 -62.6 -40.2 29.4 6.3 -7.1 131 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.897 109.0 44.9 -61.1 -42.2 33.1 7.2 -7.1 132 131 A V H X S+ 0 0 87 -4,-2.1 4,-0.7 1,-0.2 3,-0.4 0.928 114.4 48.7 -65.5 -46.5 32.7 9.7 -9.9 133 132 A N H >< S+ 0 0 40 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.911 106.9 55.4 -62.0 -43.5 29.5 11.2 -8.3 134 133 A L H 3< S+ 0 0 3 -4,-3.2 6,-0.4 1,-0.2 -1,-0.2 0.833 101.1 59.6 -57.2 -36.1 31.2 11.6 -4.9 135 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-2.0 -3,-0.4 -1,-0.2 0.707 85.8 79.3 -68.8 -21.3 34.1 13.6 -6.5 136 135 A K S << S+ 0 0 161 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.508 81.3 100.1 -84.6 68.2 31.6 16.3 -7.7 137 136 A S S > S- 0 0 16 -2,-2.0 4,-2.4 1,-0.1 5,-0.1 -0.998 83.8-121.9-152.3 153.6 31.4 17.8 -4.3 138 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.914 114.9 64.2 -61.3 -37.4 32.7 20.7 -2.2 139 138 A W H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 105.7 41.3 -48.6 -51.5 33.9 17.9 0.1 140 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.5 53.1 -74.0 -30.2 36.3 16.6 -2.7 141 140 A N H < S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.3 42.6 -73.3 -33.5 37.3 20.0 -3.7 142 141 A Q H < S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 131.6 18.7 -79.3 -43.5 38.4 21.2 -0.2 143 142 A T S X S+ 0 0 23 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 -0.637 74.5 164.6-121.9 63.2 40.2 18.1 1.1 144 143 A P H > + 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.853 69.3 52.2 -57.8 -39.0 41.0 16.3 -2.1 145 144 A N H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.910 113.9 42.4 -67.9 -41.7 43.7 13.9 -0.8 146 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 114.6 51.1 -67.5 -44.9 41.6 12.6 2.0 147 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.902 107.9 53.7 -59.4 -40.2 38.5 12.4 -0.3 148 147 A K H X S+ 0 0 87 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.886 107.9 50.9 -61.0 -37.6 40.5 10.4 -2.8 149 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.3 2,-0.2 12,-0.2 0.939 114.0 42.8 -65.6 -43.4 41.4 8.0 -0.1 150 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.929 113.9 50.7 -69.0 -44.4 37.8 7.5 1.0 151 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.894 108.6 52.4 -60.7 -40.5 36.5 7.3 -2.6 152 151 A T H X S+ 0 0 33 -4,-2.4 4,-2.5 -5,-0.3 6,-0.4 0.835 106.3 54.6 -62.0 -38.2 39.1 4.7 -3.5 153 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.901 110.8 44.4 -62.5 -41.7 38.0 2.7 -0.5 154 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.883 114.9 49.3 -69.6 -38.3 34.4 2.7 -1.7 155 154 A R H < S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.940 125.3 25.7 -66.6 -42.8 35.4 1.9 -5.3 156 155 A T H < S- 0 0 47 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.667 84.3-137.9 -97.1 -25.4 37.6 -1.0 -4.4 157 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.3 1,-0.3 -63,-0.2 0.703 73.2 102.8 68.6 16.1 36.4 -2.4 -1.1 158 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.802 79.2-123.0-123.2 173.5 40.1 -2.7 -0.1 159 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.089 70.9 122.0 -98.4 16.9 42.4 -0.7 2.2 160 159 A D G >4 + 0 0 93 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.814 65.7 59.1 -52.5 -33.1 44.9 -0.1 -0.5 161 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.623 110.1 44.7 -70.7 -16.2 44.7 3.8 -0.3 162 161 A Y G <4 0 0 20 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.436 360.0 360.0-107.6 -4.5 45.8 3.5 3.3 163 162 A K << 0 0 173 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.788 360.0 360.0-103.3 360.0 48.6 1.0 2.7