==== 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) 17-DEC-92 113L . 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) . 8710.0 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 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 68 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 148.5 43.8 -1.9 9.1 2 2 A N > - 0 0 66 156,-0.0 4,-2.4 95,-0.0 3,-0.2 -0.892 360.0 -83.5-145.4 174.8 40.6 -0.8 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.848 124.2 51.8 -51.6 -42.9 38.4 2.3 11.4 4 4 A F H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.923 112.7 42.3 -62.3 -47.9 40.6 3.6 14.2 5 5 A E H > S+ 0 0 97 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.848 113.6 54.3 -69.0 -35.3 43.8 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.944 111.7 43.0 -63.9 -49.5 42.2 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.823 109.7 57.9 -68.0 -29.1 40.9 7.9 11.0 8 8 A R H X S+ 0 0 102 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.894 107.4 47.9 -69.5 -32.3 44.1 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 0.916 116.4 43.5 -72.5 -41.0 45.9 8.6 9.5 10 10 A D H < S+ 0 0 21 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 125.1 30.1 -74.1 -32.8 43.3 11.1 8.1 11 11 A E H < S- 0 0 43 -4,-2.4 19,-0.3 -5,-0.1 -3,-0.2 0.705 90.8-153.1-101.7 -26.6 43.0 13.3 11.1 12 12 A G < - 0 0 21 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.246 25.1 -85.7 78.2-174.4 46.4 13.2 12.9 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 42.0 174.0-138.3 125.1 46.9 13.8 16.5 14 14 A R E -A 28 0A 141 14,-1.5 14,-2.2 -2,-0.4 4,-0.1 -0.995 19.8-162.3-135.7 127.9 47.4 17.1 18.3 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.442 75.5 58.7 -88.1 -0.2 47.6 17.8 22.0 16 16 A K E S-C 57 0B 140 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.947 100.4 -85.4-129.9 147.7 46.9 21.5 21.8 17 17 A I E + 0 0 31 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.233 58.2 168.8 -48.6 136.4 43.9 23.4 20.4 18 18 A Y E -A 26 0A 26 8,-2.6 8,-2.6 6,-0.1 2,-0.4 -0.884 36.2-102.8-142.9 172.0 44.4 24.0 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.857 32.6-136.8-103.2 139.4 42.4 25.1 13.8 20 20 A D > - 0 0 49 4,-2.8 3,-1.2 -2,-0.4 -1,-0.1 -0.048 40.0 -83.6 -78.1-173.9 41.0 22.6 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.765 133.1 49.3 -65.2 -26.3 41.0 22.9 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.465 124.6-104.5 -87.0 -10.1 37.7 25.0 7.8 23 23 A G S < S+ 0 0 35 -3,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.482 73.4 141.0 96.1 10.7 39.3 27.2 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.626 60.4 -99.8 -90.3 147.6 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-2.6 11,-0.4 9,-1.2 -0.463 55.2 161.2 -65.4 123.3 38.8 25.1 16.9 26 26 A T E -AB 18 32A 4 -8,-2.6 -8,-2.6 6,-0.2 2,-0.3 -0.874 17.9-173.3-140.1 164.0 39.7 21.4 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.8 -2,-0.3 -12,-0.2 -0.976 52.3 5.9-152.7 166.5 41.9 19.2 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.5 -2,-0.3 2,-0.8 -0.367 122.4 -6.8 65.5-134.1 43.0 15.5 19.7 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.633 127.7 -51.5-102.5 72.1 42.0 13.2 16.8 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.765 84.3 162.3 70.0 26.6 39.7 15.5 14.8 31 31 A H E < -B 27 0A 34 -4,-1.8 -4,-1.5 1,-0.0 -1,-0.2 -0.679 31.6-144.1 -84.0 102.8 37.6 16.4 17.8 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.430 19.4-178.2 -64.1 127.1 35.6 19.6 16.8 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.890 57.7 -31.9 -93.5 -45.7 35.3 21.8 19.8 34 34 A T E -B 25 0A 30 -9,-1.2 -9,-0.8 2,-0.1 -1,-0.4 -0.941 35.1-134.4-169.2 155.6 33.2 24.8 18.4 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.432 73.9 112.7 -96.0 -2.7 32.6 26.8 15.3 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.421 72.4-131.3 -73.4 147.2 32.8 30.0 17.2 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.670 75.7 108.4 -71.2 -14.4 35.8 32.3 16.6 38 38 A S > - 0 0 45 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.515 55.1-162.9 -75.5 116.1 36.4 32.6 20.3 39 39 A L H > S+ 0 0 75 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.764 98.1 52.0 -61.3 -23.9 39.5 30.9 21.5 40 40 A N H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.845 101.6 54.2 -82.5 -35.5 37.8 31.2 24.9 41 41 A A H > S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.912 111.6 51.2 -61.8 -32.5 34.6 29.7 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.857 107.3 49.3 -68.4 -42.4 36.9 26.8 22.7 43 43 A K H X S+ 0 0 57 -4,-1.7 4,-2.0 1,-0.2 11,-0.2 0.872 110.9 52.7 -68.1 -32.6 38.8 26.5 26.0 44 44 A R H X S+ 0 0 155 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.932 109.5 46.5 -66.2 -45.2 35.5 26.4 27.8 45 45 A E H X S+ 0 0 71 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.921 111.0 56.0 -62.2 -42.1 34.1 23.6 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.872 107.7 44.6 -58.6 -44.8 37.4 21.8 26.2 47 47 A D H X>S+ 0 0 33 -4,-2.0 4,-2.7 2,-0.2 5,-1.2 0.909 112.9 52.3 -68.1 -40.7 37.2 21.8 29.9 48 48 A K H <5S+ 0 0 148 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.894 111.3 47.5 -57.8 -45.2 33.6 20.8 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 121.0 36.4 -64.8 -37.4 34.5 17.8 27.5 50 50 A I H <5S- 0 0 35 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.693 100.5-128.2 -93.1 -21.6 37.4 16.7 29.7 51 51 A G T <5S+ 0 0 69 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.853 77.8 74.6 75.2 30.1 36.0 17.4 33.1 52 52 A R S - 0 0 9 -2,-1.0 3,-0.8 -11,-0.2 -1,-0.2 0.765 35.2-142.7 -96.4 -28.7 42.9 22.1 30.9 55 55 A N T 3 S- 0 0 113 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.957 75.1 -56.7 63.0 46.0 44.1 25.4 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.2 1,-0.1 2,-0.4 0.580 117.1 102.3 61.6 14.3 43.9 24.2 26.2 57 57 A V B < +C 16 0B 61 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.984 42.3 174.5-132.3 134.8 46.2 21.2 26.6 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.806 26.2-113.9-127.7 170.8 45.3 17.5 27.0 59 59 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.615 35.0-100.3-100.3 167.6 47.3 14.3 27.2 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.885 122.0 52.9 -50.1 -49.4 47.4 11.3 24.8 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.850 109.3 48.8 -54.9 -44.7 44.9 9.3 26.9 62 62 A E H > S+ 0 0 37 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.887 110.6 51.3 -64.4 -41.3 42.4 12.1 27.0 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -34,-0.4 0.897 111.6 48.0 -62.5 -40.2 42.8 12.4 23.3 64 64 A E H X S+ 0 0 82 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.809 107.5 54.8 -71.5 -31.0 42.1 8.7 22.9 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.946 109.5 46.1 -68.5 -41.0 39.2 8.9 25.2 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 111.3 54.6 -63.5 -39.4 37.5 11.6 23.0 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.938 106.5 49.4 -60.8 -51.4 38.4 9.5 19.9 68 68 A N H X S+ 0 0 93 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.950 112.7 49.0 -53.0 -47.3 36.6 6.3 21.3 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 110.8 50.4 -57.1 -43.7 33.5 8.4 22.1 70 70 A D H X S+ 0 0 35 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.841 110.3 46.9 -67.6 -38.4 33.5 10.0 18.7 71 71 A V H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.941 113.2 50.3 -68.6 -46.3 33.8 6.8 16.7 72 72 A D H X S+ 0 0 90 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.935 111.1 48.9 -56.0 -46.4 31.0 5.2 18.8 73 73 A A H X S+ 0 0 43 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.888 109.6 52.5 -62.2 -38.8 28.8 8.2 18.3 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.966 111.7 44.7 -61.0 -55.1 29.4 8.1 14.5 75 75 A V H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 115.5 47.8 -52.9 -50.1 28.4 4.4 14.2 76 76 A R H X S+ 0 0 117 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.866 110.1 53.0 -63.2 -37.1 25.3 4.9 16.5 77 77 A G H X S+ 0 0 3 -4,-2.4 4,-0.6 -5,-0.2 3,-0.4 0.913 108.7 48.9 -65.1 -43.2 24.3 8.0 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 7,-0.4 0.958 111.5 49.9 -57.8 -48.8 24.4 6.0 11.2 79 79 A L H 3< S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.690 112.7 47.8 -66.3 -19.7 22.3 3.1 12.8 80 80 A R H 3< S+ 0 0 172 -4,-1.1 2,-0.5 -3,-0.4 -1,-0.3 0.381 92.7 93.4 -97.6 -7.7 19.7 5.6 14.0 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.2 -7,-0.2 5,-0.2 0.854 100.5 66.7 -87.2 -39.9 22.1 6.0 6.4 85 85 A K H X S+ 0 0 77 -4,-2.5 4,-2.9 -7,-0.4 5,-0.2 0.878 98.9 50.4 -52.2 -46.0 21.2 2.7 7.9 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.892 111.7 50.0 -63.0 -38.7 20.0 0.9 4.8 87 87 A V H > S+ 0 0 3 -4,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.957 111.8 46.2 -61.5 -52.2 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.933 110.7 53.7 -56.8 -47.3 25.4 0.7 5.9 89 89 A D H 3< S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.7 53.8 -60.0 -33.9 23.5 -2.6 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.681 96.4 86.9 -74.5 -18.5 24.1 -3.1 2.5 91 91 A L S << S- 0 0 7 -3,-1.4 31,-0.0 -4,-0.7 30,-0.0 -0.547 74.3-116.6 -89.0 160.8 27.8 -2.8 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.198 45.4 -93.0 -77.6 169.6 30.8 -5.1 3.2 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.831 121.8 48.8 -57.2 -39.1 33.1 -4.4 6.2 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.3 2,-0.2 3,-0.3 0.933 112.9 45.6 -66.9 -50.4 35.7 -2.3 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.820 105.5 62.7 -65.3 -28.2 33.2 0.0 2.7 96 96 A R H X S+ 0 0 79 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.906 101.4 52.0 -59.9 -43.3 31.4 0.3 6.0 97 97 A A H X S+ 0 0 7 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.889 105.1 55.7 -59.5 -39.5 34.6 1.9 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.875 108.6 47.4 -63.7 -35.7 34.6 4.4 4.5 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.893 109.6 52.2 -71.2 -40.3 31.0 5.6 5.4 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.938 108.0 54.0 -60.9 -41.2 31.9 5.9 9.1 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.942 108.0 47.9 -57.5 -49.5 34.9 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.908 113.4 48.7 -58.6 -43.5 32.6 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 108.4 53.1 -64.7 -41.3 30.2 10.7 9.0 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.8 39.4 -60.5 -38.2 33.0 11.4 11.4 105 105 A Q H < S+ 0 0 60 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.867 132.4 18.3 -79.4 -44.7 34.3 14.3 9.2 106 106 A M H X S- 0 0 53 -4,-2.6 4,-0.7 -5,-0.2 -3,-0.2 0.470 101.6-117.3-117.6 2.9 31.1 15.9 8.1 107 107 A G H X - 0 0 32 -4,-2.2 4,-2.2 -5,-0.3 5,-0.2 0.151 34.5 -77.4 78.6 161.1 28.4 14.8 10.3 108 108 A E H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.855 128.7 53.1 -64.0 -39.0 25.2 12.8 9.7 109 109 A T H > S+ 0 0 127 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.941 108.5 49.8 -64.9 -45.6 23.4 15.7 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-1.1 2,-0.2 -2,-0.2 0.953 113.6 45.1 -54.6 -56.1 26.2 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-3.3 1,-0.3 -1,-0.2 0.918 105.2 58.9 -58.4 -47.0 26.5 12.8 4.5 112 112 A A H 3< S+ 0 0 14 -4,-2.6 3,-0.3 1,-0.3 -1,-0.3 0.759 95.6 69.3 -58.9 -16.8 22.7 12.3 4.2 113 113 A G T << S+ 0 0 59 -3,-1.1 -1,-0.3 -4,-1.0 3,-0.3 0.476 80.0 76.5 -74.5 -4.8 23.1 15.2 1.7 114 114 A F <> + 0 0 35 -3,-3.3 4,-2.4 1,-0.2 3,-0.4 -0.193 59.5 149.1-100.3 45.0 24.9 12.8 -0.7 115 115 A T H > + 0 0 64 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.828 65.5 47.6 -43.1 -51.1 21.6 11.3 -1.7 116 116 A N H > S+ 0 0 94 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.906 113.5 44.9 -67.4 -41.4 22.6 10.4 -5.2 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.874 110.2 56.8 -67.6 -38.3 25.9 8.8 -4.4 118 118 A L H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.882 105.6 51.5 -59.5 -38.0 24.3 6.9 -1.5 119 119 A R H X S+ 0 0 122 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.886 109.9 49.2 -68.4 -36.2 21.8 5.4 -3.9 120 120 A M H <>S+ 0 0 26 -4,-1.5 5,-2.5 2,-0.2 -2,-0.2 0.857 109.0 52.0 -70.4 -35.9 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.1 3,-2.3 3,-0.2 -2,-0.2 0.951 107.4 53.0 -66.4 -44.2 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.882 109.0 49.1 -58.7 -36.1 23.4 0.7 -2.3 123 123 A Q T 3<5S- 0 0 88 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.405 113.8-122.2 -83.5 3.1 23.1 -0.6 -5.8 124 124 A K T < 5 + 0 0 96 -3,-2.3 2,-1.1 1,-0.2 -3,-0.2 0.768 60.3 149.7 57.3 36.4 26.8 -1.5 -5.7 125 125 A R >< + 0 0 120 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.731 19.8 175.2 -97.0 78.3 27.6 0.6 -8.8 126 126 A W H > + 0 0 52 -2,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.861 69.2 44.1 -54.8 -52.6 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 115.5 49.2 -64.5 -42.4 32.7 3.3 -10.5 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.900 111.2 49.3 -66.2 -38.9 29.6 5.4 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.864 108.3 52.9 -65.3 -39.4 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.894 110.3 49.3 -63.8 -41.3 33.2 7.3 -7.1 131 131 A V H < S+ 0 0 91 -4,-2.0 4,-0.5 1,-0.2 3,-0.5 0.936 114.1 44.5 -62.9 -48.0 32.6 9.6 -10.0 132 132 A N H >< S+ 0 0 42 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.879 107.0 58.1 -67.8 -37.0 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.841 99.8 60.9 -58.4 -35.1 31.2 11.5 -4.9 134 134 A A T 3< S+ 0 0 28 -4,-1.1 2,-1.6 -3,-0.5 -1,-0.2 0.637 85.1 79.0 -68.0 -17.6 34.0 13.7 -6.5 135 135 A K S < S+ 0 0 160 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.572 80.4 99.2 -89.1 66.1 31.4 16.4 -7.6 136 136 A S S > S- 0 0 17 -2,-1.6 4,-1.6 1,-0.1 5,-0.1 -0.994 84.7-118.8-151.5 156.7 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.892 113.7 63.7 -59.3 -41.7 32.6 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.918 104.6 43.9 -46.7 -53.6 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 114.8 49.8 -65.1 -39.8 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.904 116.0 41.0 -69.1 -36.8 37.4 20.2 -3.8 141 141 A Q H < S+ 0 0 108 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 131.7 21.7 -78.9 -42.6 38.3 21.3 -0.3 142 142 A T S X S+ 0 0 23 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 -0.507 72.8 163.1-127.0 67.7 40.1 18.2 1.0 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.794 70.1 49.7 -53.9 -40.8 41.1 16.4 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.898 116.4 41.0 -71.7 -41.9 43.8 14.0 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.911 114.4 52.0 -69.8 -46.0 41.6 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 -8,-0.2 5,-0.3 0.947 108.2 53.7 -56.2 -44.6 38.5 12.5 -0.3 147 147 A K H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.887 108.0 49.2 -56.0 -42.5 40.5 10.5 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.931 114.2 45.2 -63.6 -45.2 41.5 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.914 114.1 48.9 -64.4 -43.7 37.9 7.6 1.0 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.843 108.8 52.2 -64.6 -40.0 36.6 7.3 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.1 4,-2.5 -5,-0.3 6,-0.3 0.861 105.7 55.6 -66.0 -34.3 39.1 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.892 110.9 45.0 -64.6 -37.0 38.1 2.6 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.903 114.4 48.8 -71.5 -42.6 34.5 2.8 -1.9 154 154 A R H < S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.909 126.1 24.2 -62.6 -44.8 35.5 2.0 -5.5 155 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.707 85.0-135.6 -97.6 -29.5 37.7 -1.0 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.1 2,-0.2 -5,-0.3 -62,-0.2 0.664 72.9 101.2 74.1 18.0 36.6 -2.4 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.1 -1,-0.3 -0.728 81.1-118.5-125.1 174.3 40.3 -2.7 -0.1 158 158 A W S > S+ 0 0 37 -2,-0.2 3,-1.8 1,-0.2 4,-0.4 0.115 71.7 123.9 -96.4 14.4 42.6 -0.7 2.2 159 159 A D G > + 0 0 110 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.831 65.2 55.2 -48.1 -44.5 44.9 0.0 -0.7 160 160 A A G 3 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.689 110.9 47.5 -67.5 -16.8 44.9 3.9 -0.4 161 161 A Y G < 0 0 18 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.373 360.0 360.0-104.1 2.9 45.9 3.6 3.2 162 162 A K < 0 0 178 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.847 360.0 360.0-106.1 360.0 48.7 1.2 2.7