==== 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 25-JUN-97 226L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.P.BALDWIN,W.A.BAASE,X.-J.ZHANG,V.FEHER,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 . 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 2 0 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 79 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 139.2 43.8 -1.9 8.9 2 2 A N > - 0 0 68 95,-0.0 4,-2.2 1,-0.0 5,-0.2 -0.843 360.0 -89.8-138.2 171.1 40.8 -0.9 10.8 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.849 122.6 52.6 -54.7 -42.1 38.6 2.2 11.2 4 4 A F H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 111.8 43.3 -62.3 -49.3 40.7 3.6 14.0 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.840 113.0 54.5 -66.1 -30.8 43.9 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.916 111.6 42.3 -67.6 -47.6 42.2 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.4 0.790 108.9 58.9 -70.9 -29.0 40.9 7.9 10.7 8 8 A R H X S+ 0 0 107 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.894 106.9 48.4 -69.3 -29.2 44.1 8.4 12.6 9 9 A I H < S+ 0 0 86 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.6 44.3 -75.8 -36.3 45.9 8.6 9.2 10 10 A D H < S+ 0 0 19 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.752 125.0 28.4 -77.6 -27.1 43.4 11.0 7.9 11 11 A E H < S- 0 0 40 -4,-1.9 19,-0.3 1,-0.1 -3,-0.2 0.638 91.1-149.5-110.4 -27.0 43.0 13.4 10.9 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.241 23.8 -86.3 78.8-177.7 46.4 13.2 12.6 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.993 42.4 173.9-134.3 129.3 46.9 13.6 16.3 14 14 A R E -A 28 0A 138 14,-1.0 14,-2.4 -2,-0.4 4,-0.1 -0.990 19.7-164.7-139.8 125.3 47.4 17.0 18.1 15 15 A L E S+ 0 0 69 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.271 75.1 63.1 -91.3 7.3 47.6 17.6 21.8 16 16 A K E S-C 57 0B 103 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.976 99.9 -89.1-133.6 141.4 47.0 21.3 21.6 17 17 A I E + 0 0 19 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.148 59.2 171.1 -45.6 142.7 43.9 23.2 20.4 18 18 A Y E -A 26 0A 28 8,-3.2 8,-2.5 -4,-0.1 2,-0.5 -0.891 35.0 -99.5-148.4 175.6 44.3 23.8 16.7 19 19 A K E -A 25 0A 129 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.899 32.6-139.7-108.2 137.4 42.5 25.0 13.7 20 20 A D > - 0 0 48 4,-2.7 3,-1.3 -2,-0.5 -1,-0.1 0.005 41.1 -85.2 -75.8-175.5 41.0 22.6 11.3 21 21 A T T 3 S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.594 130.2 50.1 -72.3 -10.0 41.0 23.0 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.162 125.2 -97.2-106.6 4.8 37.9 25.1 7.8 23 23 A G S < S+ 0 0 37 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.512 78.5 141.8 88.2 8.2 39.2 27.4 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.573 58.7-107.3 -91.1 149.5 37.5 25.6 13.4 25 25 A Y E +AB 19 34A 31 9,-1.1 8,-3.1 11,-0.3 9,-1.4 -0.543 51.5 161.8 -71.2 123.9 38.9 24.9 16.7 26 26 A T E -AB 18 32A 3 -8,-2.5 -8,-3.2 -2,-0.3 2,-0.3 -0.847 18.4-169.5-137.7 165.0 39.8 21.2 17.1 27 27 A I E > - B 0 31A 0 4,-1.1 4,-1.7 -2,-0.3 -12,-0.2 -0.937 53.5 -1.2-151.6 162.8 41.9 19.0 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.0 -2,-0.3 2,-0.9 -0.260 122.7 -3.4 61.3-129.6 43.2 15.4 19.4 29 29 A I T 4 S- 0 0 5 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.620 126.5 -54.0-100.9 71.6 42.1 13.1 16.5 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.773 83.6 157.9 67.4 25.9 39.7 15.4 14.5 31 31 A H E < -B 27 0A 35 -4,-1.7 -4,-1.1 32,-0.0 -1,-0.2 -0.685 34.6-144.5 -84.4 97.8 37.5 16.3 17.5 32 32 A L E -B 26 0A 70 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.342 18.2-176.3 -57.6 127.7 35.8 19.6 16.5 33 33 A L E - 0 0 16 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.891 58.9 -19.7 -94.9 -44.1 35.4 21.7 19.6 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-1.1 2,-0.1 -1,-0.4 -0.973 34.8-143.2-161.6 148.5 33.4 24.7 18.4 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.2 -3,-0.0 0.347 73.9 110.7 -92.2 2.4 32.6 26.6 15.2 36 36 A S S S- 0 0 41 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.518 73.7-130.1 -77.1 144.9 32.9 29.8 17.2 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.638 76.6 104.4 -70.8 -8.4 35.7 32.2 16.5 38 38 A S >> - 0 0 51 1,-0.2 4,-2.8 2,-0.1 3,-0.6 -0.625 57.1-159.8 -90.2 122.9 36.6 32.5 20.2 39 39 A L H 3> S+ 0 0 71 -2,-0.7 4,-2.1 1,-0.3 -1,-0.2 0.777 100.5 54.4 -58.9 -25.6 39.6 30.6 21.5 40 40 A N H 3> S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.865 102.3 53.0 -80.4 -33.7 37.9 31.1 24.8 41 41 A A H <> S+ 0 0 32 -3,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.943 113.3 49.2 -60.9 -39.3 34.7 29.5 23.6 42 42 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.824 107.9 50.1 -64.5 -41.9 37.1 26.6 22.5 43 43 A K H X S+ 0 0 51 -4,-2.1 4,-1.3 -5,-0.2 11,-0.3 0.829 111.5 50.5 -69.3 -27.6 39.0 26.3 25.8 44 44 A S H X S+ 0 0 72 -4,-1.5 4,-2.3 2,-0.2 3,-0.2 0.922 108.7 48.5 -71.6 -54.2 35.7 26.1 27.7 45 45 A E H X S+ 0 0 63 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.897 109.6 57.8 -54.9 -39.4 34.2 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.871 107.9 42.1 -62.0 -41.5 37.5 21.6 25.9 47 47 A D H X>S+ 0 0 34 -4,-1.3 4,-2.3 -3,-0.2 5,-0.8 0.842 112.9 54.0 -74.8 -34.1 37.3 21.5 29.7 48 48 A K H <5S+ 0 0 151 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 112.1 46.6 -60.0 -43.6 33.6 20.6 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.758 120.8 34.8 -70.5 -31.1 34.6 17.7 27.3 50 50 A I H <5S- 0 0 39 -4,-1.4 -2,-0.2 2,-0.3 -3,-0.2 0.689 101.0-123.2 -99.5 -28.1 37.6 16.4 29.4 51 51 A G T <5S+ 0 0 70 -4,-2.3 2,-0.3 1,-0.4 -3,-0.2 0.737 78.8 76.5 89.6 22.6 36.3 17.1 32.9 52 52 A R S - 0 0 9 -2,-0.8 3,-1.1 -11,-0.3 -1,-0.2 0.753 32.7-146.4-102.9 -29.1 43.0 21.8 30.5 55 55 A N T 3 S- 0 0 113 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.970 74.7 -54.4 52.0 62.7 44.2 25.2 29.4 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 -17,-0.1 2,-0.4 0.506 119.2 96.5 54.5 13.9 44.0 24.2 25.7 57 57 A V B < +C 16 0B 62 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.987 45.7 178.4-136.3 139.7 46.2 21.1 26.1 58 58 A I - 0 0 4 -43,-2.3 2,-0.1 -2,-0.4 -30,-0.1 -0.846 25.8-109.5-134.4 166.6 45.5 17.4 26.6 59 59 A T > - 0 0 66 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.360 34.4-106.1 -88.5 168.2 47.3 14.1 27.0 60 60 A K H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.882 121.1 54.0 -60.6 -43.4 47.4 11.2 24.5 61 61 A D H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 108.4 47.8 -56.9 -50.6 45.1 9.2 26.7 62 62 A E H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.895 110.7 51.7 -62.9 -40.0 42.5 11.9 26.7 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -34,-0.5 0.847 111.3 47.7 -64.5 -35.4 42.8 12.3 22.9 64 64 A E H X S+ 0 0 76 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.814 109.2 54.0 -73.9 -31.9 42.2 8.6 22.5 65 65 A K H X S+ 0 0 136 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.915 109.6 46.6 -66.2 -46.0 39.3 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 111.6 53.1 -61.4 -38.7 37.7 11.4 22.8 67 67 A F H X S+ 0 0 12 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.957 105.5 52.0 -64.5 -51.2 38.4 9.4 19.6 68 68 A N H X S+ 0 0 92 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.935 111.4 50.5 -50.9 -42.4 36.7 6.2 21.0 69 69 A Q H X S+ 0 0 92 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.935 110.0 47.6 -62.7 -47.7 33.7 8.4 21.8 70 70 A D H X S+ 0 0 34 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.838 110.9 48.9 -64.0 -37.5 33.4 10.0 18.4 71 71 A V H X S+ 0 0 7 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.931 114.2 48.0 -66.5 -46.2 33.8 6.7 16.4 72 72 A D H X S+ 0 0 87 -4,-2.1 4,-3.2 -5,-0.3 5,-0.3 0.932 112.4 48.2 -59.4 -45.6 31.1 5.1 18.6 73 73 A A H X S+ 0 0 43 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.920 112.2 50.1 -61.9 -42.0 28.8 8.1 18.2 74 74 A A H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.963 113.0 45.6 -61.1 -54.3 29.4 8.1 14.3 75 75 A V H X S+ 0 0 34 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.939 115.7 45.7 -56.5 -50.0 28.6 4.3 14.2 76 76 A R H X S+ 0 0 114 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.876 111.1 55.1 -62.1 -33.8 25.4 4.7 16.4 77 77 A G H < S+ 0 0 2 -4,-2.6 3,-0.5 -5,-0.3 4,-0.4 0.911 107.6 47.7 -64.7 -41.3 24.4 7.8 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 7,-0.6 0.913 111.1 52.1 -65.8 -39.7 24.5 5.8 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.682 111.5 46.2 -71.9 -17.9 22.5 3.0 12.6 80 80 A R T 3< S+ 0 0 171 -4,-1.0 2,-0.6 -3,-0.5 -1,-0.3 0.304 92.3 96.6 -99.4 -5.6 19.8 5.4 13.8 81 81 A N <> - 0 0 22 -3,-0.9 4,-2.2 -4,-0.4 -4,-0.0 -0.813 63.6-151.7 -96.7 128.2 19.6 7.3 10.6 82 82 A A T 4 S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.760 97.5 42.7 -67.1 -23.0 16.8 6.2 8.2 83 83 A K T 4 S+ 0 0 133 2,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.795 120.7 38.9 -89.0 -34.1 18.7 7.4 5.2 84 84 A L T >> S+ 0 0 0 -7,-0.2 4,-2.4 -6,-0.2 3,-0.9 0.904 102.4 66.9 -84.7 -46.2 22.2 6.0 6.2 85 85 A K H 3X S+ 0 0 81 -4,-2.2 4,-2.7 -7,-0.6 5,-0.2 0.870 98.6 50.6 -46.2 -49.2 21.3 2.6 7.8 86 86 A P H 3> S+ 0 0 52 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.892 112.1 50.3 -63.5 -30.7 20.0 0.9 4.8 87 87 A V H <4 S+ 0 0 2 -3,-0.9 4,-0.5 -4,-0.3 -2,-0.2 0.958 110.5 46.9 -70.2 -46.9 23.2 1.9 3.0 88 88 A Y H >< S+ 0 0 36 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.955 110.8 53.8 -55.8 -47.8 25.4 0.7 5.7 89 89 A D H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.2 54.0 -58.2 -36.7 23.5 -2.7 5.9 90 90 A S T 3< S+ 0 0 34 -4,-1.5 -1,-0.3 -5,-0.2 2,-0.3 0.527 97.3 90.3 -74.1 -12.6 24.0 -3.2 2.2 91 91 A L S < S- 0 0 6 -3,-2.3 31,-0.0 -4,-0.5 30,-0.0 -0.695 72.4-120.4 -94.9 156.5 27.8 -2.8 2.3 92 92 A D > - 0 0 56 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.129 46.6 -91.8 -73.2 171.7 30.8 -5.1 2.8 93 93 A A H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.810 120.6 48.1 -60.3 -36.2 33.2 -4.5 5.8 94 94 A V H >> S+ 0 0 28 62,-0.2 4,-1.3 2,-0.2 3,-0.8 0.974 112.5 46.4 -71.4 -54.6 35.7 -2.2 4.0 95 95 A R H 3> S+ 0 0 22 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.840 105.9 61.6 -56.3 -34.8 33.2 0.1 2.4 96 96 A R H 3X S+ 0 0 77 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.892 101.2 53.4 -58.7 -39.9 31.3 0.3 5.7 97 97 A C H S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.846 128.2 55.6 -65.4 -41.1 25.3 12.6 9.5 109 109 A T H > S+ 0 0 126 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.960 107.8 48.2 -63.0 -45.7 23.4 15.5 8.1 110 110 A G H < S+ 0 0 33 -4,-0.8 3,-0.4 1,-0.2 -2,-0.2 0.883 114.3 43.5 -63.1 -42.3 26.1 16.2 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.8 1,-0.2 -1,-0.2 0.906 105.4 62.5 -70.9 -36.2 26.5 12.7 4.3 112 112 A A H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 94.4 66.9 -60.5 -16.9 22.8 12.2 4.2 113 113 A G T 3< S+ 0 0 56 -4,-0.8 2,-0.4 -3,-0.4 -1,-0.3 0.459 77.6 81.7 -77.5 -4.0 23.1 15.1 1.7 114 114 A F <> + 0 0 38 -3,-2.8 4,-2.3 1,-0.2 3,-0.3 -0.216 56.3 155.9 -96.9 48.3 24.9 12.8 -0.8 115 115 A T H > + 0 0 83 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.847 68.2 44.2 -36.1 -55.6 21.6 11.4 -2.0 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.896 113.5 46.9 -64.1 -45.6 22.8 10.3 -5.4 117 117 A S H > S+ 0 0 9 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.825 111.4 53.8 -62.1 -43.5 26.1 8.8 -4.4 118 118 A L H X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 107.3 51.6 -62.3 -41.7 24.3 6.9 -1.5 119 119 A R H X S+ 0 0 120 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.892 111.4 47.1 -65.1 -36.3 21.8 5.4 -4.0 120 120 A M H <>S+ 0 0 25 -4,-1.7 5,-2.2 2,-0.2 -1,-0.2 0.863 110.1 51.7 -76.1 -34.2 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 6 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.957 109.0 52.3 -64.7 -40.3 26.5 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.901 109.6 47.6 -63.9 -34.8 23.4 0.9 -2.4 123 123 A Q T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.334 115.2-118.1 -85.5 8.8 23.0 -0.4 -5.9 124 124 A K T < 5 + 0 0 100 -3,-2.2 2,-1.1 1,-0.2 -3,-0.2 0.773 64.8 144.8 59.7 35.0 26.7 -1.4 -5.9 125 125 A R >< + 0 0 116 -5,-2.2 4,-2.2 1,-0.2 5,-0.2 -0.700 20.6 173.7-102.6 77.4 27.7 0.8 -8.8 126 126 A W H > S+ 0 0 49 -2,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.903 70.0 47.9 -52.7 -56.3 31.1 1.6 -7.5 127 127 A D H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.943 113.4 49.2 -56.3 -45.7 32.6 3.5 -10.4 128 128 A E H > S+ 0 0 107 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.909 109.5 49.6 -67.6 -37.7 29.5 5.7 -10.7 129 129 A A H X S+ 0 0 7 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.804 109.1 54.3 -68.0 -29.9 29.3 6.6 -7.1 130 130 A A H X S+ 0 0 12 -4,-1.6 4,-0.9 -3,-0.4 -1,-0.2 0.861 109.9 46.4 -71.8 -39.1 33.1 7.5 -7.1 131 131 A V H >< S+ 0 0 92 -4,-2.0 3,-0.6 -5,-0.2 4,-0.4 0.947 115.7 45.0 -68.0 -48.2 32.6 9.9 -10.0 132 132 A N H >< S+ 0 0 43 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.839 107.8 57.0 -66.3 -36.2 29.5 11.5 -8.4 133 133 A G H 3< S+ 0 0 4 -4,-1.9 6,-0.3 -5,-0.2 -1,-0.2 0.850 97.6 63.4 -67.4 -24.5 31.0 11.8 -5.0 134 134 A A T << S+ 0 0 26 -4,-0.9 2,-1.7 -3,-0.6 -1,-0.2 0.648 84.1 81.0 -72.7 -16.7 33.9 13.9 -6.4 135 135 A K S < S+ 0 0 150 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 -0.495 78.2 97.9 -88.4 64.8 31.5 16.6 -7.4 136 136 A S S > S- 0 0 20 -2,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.985 84.0-117.7-149.3 159.5 31.3 18.1 -4.1 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.906 115.0 62.8 -59.7 -43.3 32.7 20.9 -2.0 138 138 A W H > S+ 0 0 20 1,-0.3 4,-2.4 2,-0.2 8,-0.2 0.905 105.8 43.2 -46.1 -53.0 34.1 18.1 0.2 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.864 115.1 50.0 -65.9 -40.5 36.3 16.8 -2.6 140 140 A N H < S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.845 115.0 44.2 -70.6 -29.7 37.3 20.3 -3.6 141 141 A Q H < S+ 0 0 102 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.875 130.8 16.9 -81.3 -47.0 38.2 21.3 -0.1 142 142 A T S X S+ 0 0 22 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 -0.557 73.6 166.4-126.4 67.9 40.2 18.2 1.1 143 143 A P H > + 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.762 69.6 50.8 -53.2 -37.4 41.0 16.5 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.912 115.6 41.1 -72.0 -47.2 43.7 14.0 -0.9 145 145 A R H > S+ 0 0 19 -3,-0.2 4,-2.3 2,-0.2 5,-0.3 0.916 115.7 51.7 -64.4 -46.6 41.6 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -8,-0.2 5,-0.2 0.935 108.9 50.8 -55.3 -46.4 38.5 12.6 -0.2 147 147 A K H X S+ 0 0 92 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.865 108.9 52.3 -58.4 -39.4 40.4 10.6 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.925 113.5 41.9 -61.2 -49.5 41.4 8.1 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.880 113.4 53.6 -64.9 -41.0 37.8 7.6 0.9 150 150 A I H X S+ 0 0 18 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.830 107.9 49.7 -63.2 -38.1 36.4 7.5 -2.6 151 151 A T H X S+ 0 0 32 -4,-1.6 4,-2.9 2,-0.2 5,-0.4 0.827 105.4 57.7 -69.0 -37.5 38.9 4.8 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.896 111.4 42.8 -58.1 -39.4 37.9 2.8 -0.6 153 153 A F H < S+ 0 0 13 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.876 115.3 49.3 -73.4 -41.5 34.3 2.9 -1.9 154 154 A R H < S+ 0 0 107 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.971 126.4 21.9 -62.6 -54.2 35.4 2.2 -5.5 155 155 A T H < S- 0 0 47 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.713 85.8-134.8 -89.0 -32.6 37.6 -0.8 -4.8 156 156 A G S < S+ 0 0 15 -4,-2.0 2,-0.2 -5,-0.4 -62,-0.2 0.599 71.9 100.9 79.7 13.9 36.6 -2.2 -1.5 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -63,-0.1 -1,-0.3 -0.719 80.5-117.4-122.5 177.6 40.2 -2.6 -0.4 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.5 1,-0.2 4,-0.5 0.158 72.9 120.8 -98.7 15.0 42.6 -0.7 1.8 159 159 A D G >4 + 0 0 98 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.863 66.2 57.5 -49.1 -47.5 44.9 0.1 -1.0 160 160 A A G 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.658 110.0 47.9 -60.9 -15.0 44.7 3.9 -0.7 161 161 A Y G <4 0 0 17 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.383 360.0 360.0-108.1 1.8 45.8 3.6 2.9 162 162 A K << 0 0 170 -3,-1.8 -2,-0.2 -4,-0.5 -3,-0.1 0.776 360.0 360.0-109.2 360.0 48.7 1.3 2.4