==== 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 210L . 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, . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.8 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 7.5 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 . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.9 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 1 2 0 0 1 1 0 0 0 0 1 1 0 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 75 0, 0.0 2,-0.3 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 152.2 43.6 -1.9 9.1 2 2 A N > - 0 0 68 155,-0.0 4,-2.7 94,-0.0 3,-0.3 -0.937 360.0 -84.7-150.7 174.1 40.4 -0.7 10.9 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.823 123.5 52.4 -54.5 -39.7 38.4 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 113.6 43.0 -66.5 -43.4 40.4 3.7 14.2 5 5 A E H > S+ 0 0 93 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.855 113.8 54.9 -66.9 -34.3 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.944 111.3 40.3 -65.4 -51.5 42.0 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.854 109.1 60.4 -69.0 -30.6 40.8 7.9 10.9 8 8 A R H X S+ 0 0 107 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.901 107.1 48.2 -65.1 -35.1 44.0 8.4 12.8 9 9 A I H < S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.921 116.5 41.8 -65.9 -49.7 45.7 8.6 9.5 10 10 A D H < S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.840 126.5 30.0 -68.2 -35.4 43.2 11.1 8.1 11 11 A E H < S- 0 0 45 -4,-3.0 19,-0.3 -5,-0.2 -3,-0.2 0.707 89.8-152.7-100.5 -28.0 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.186 24.9 -86.0 79.0-173.3 46.2 13.1 12.9 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.962 42.7 171.8-140.9 117.6 46.6 13.7 16.6 14 14 A R E -A 28 0A 138 14,-1.7 14,-3.0 -2,-0.4 4,-0.1 -0.999 18.1-165.0-128.7 129.8 47.0 17.1 18.3 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.405 74.2 62.5 -93.2 -0.1 47.0 17.6 22.0 16 16 A K E S-C 57 0B 90 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.889 101.8 -86.6-126.1 145.3 46.6 21.4 21.9 17 17 A I E + 0 0 16 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.320 58.8 169.2 -52.6 134.1 43.6 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-3.4 8,-3.0 -4,-0.1 2,-0.5 -0.885 36.4-101.9-139.0 174.7 44.1 23.8 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.856 32.7-141.7-104.1 134.6 42.2 25.0 13.8 20 20 A D > - 0 0 48 4,-2.5 3,-1.7 -2,-0.5 -1,-0.0 -0.110 42.8 -79.3 -75.6-171.7 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.712 133.4 49.8 -64.3 -25.2 40.8 22.8 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.408 123.6-103.8 -90.5 -4.3 37.6 25.0 7.8 23 23 A G S < S+ 0 0 35 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.600 75.6 140.1 88.3 17.8 39.2 27.1 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.736 60.1-101.3 -97.0 143.5 37.2 25.6 13.4 25 25 A Y E +AB 19 34A 28 9,-0.7 8,-2.7 11,-0.5 9,-1.5 -0.448 53.7 160.2 -65.9 131.1 38.7 24.8 16.8 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.4 6,-0.2 2,-0.3 -0.839 17.5-171.2-144.5 163.9 39.5 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.1 4,-2.0 -2,-0.3 -12,-0.2 -0.969 51.7 5.7-156.9 159.9 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-3.0 -14,-1.7 -2,-0.3 2,-1.0 -0.357 122.9 -5.5 71.8-132.0 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.606 127.3 -53.3 -99.5 73.3 41.9 13.1 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.764 83.6 162.2 71.4 23.3 39.6 15.4 14.7 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.1 1,-0.0 -1,-0.2 -0.627 31.5-143.8 -84.2 102.4 37.4 16.3 17.6 32 32 A L E -B 26 0A 68 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.396 19.9-178.9 -64.1 124.1 35.5 19.4 16.7 33 33 A L E - 0 0 14 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.871 58.1 -22.6 -92.2 -48.7 35.0 21.6 19.6 34 34 A T E -B 25 0A 27 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.982 33.8-138.8-162.8 155.1 33.0 24.5 18.2 35 35 A K S S+ 0 0 131 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.686 76.6 108.5 -87.4 -20.7 32.1 26.4 15.1 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.5 -3,-0.1 -2,-0.1 -0.094 72.5-134.2 -56.7 149.9 32.5 29.6 17.1 37 37 A P S S+ 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.533 75.9 101.7 -84.9 -4.7 35.4 32.0 16.5 38 38 A S > - 0 0 55 1,-0.2 4,-1.5 -13,-0.0 -13,-0.1 -0.733 55.8-161.5 -90.4 123.4 36.1 32.4 20.3 39 39 A L H > S+ 0 0 62 -2,-0.5 4,-3.0 2,-0.2 5,-0.2 0.814 95.5 59.9 -70.4 -27.6 38.9 30.5 21.7 40 40 A N H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.955 103.2 48.4 -64.7 -45.9 37.4 31.1 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 111.1 52.1 -58.0 -39.6 34.3 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.923 107.8 50.4 -64.9 -42.2 36.5 26.5 22.6 43 43 A K H X S+ 0 0 56 -4,-3.0 4,-2.4 1,-0.2 11,-0.3 0.907 110.6 50.3 -65.0 -37.0 38.4 26.1 25.9 44 44 A S H X S+ 0 0 71 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.926 109.3 49.8 -66.9 -43.8 35.1 26.0 27.7 45 45 A E H X S+ 0 0 64 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.899 111.6 52.4 -57.4 -44.7 33.8 23.3 25.3 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.938 108.0 47.3 -57.5 -48.7 37.0 21.5 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.4 4,-3.6 1,-0.2 5,-1.3 0.933 113.1 51.6 -63.2 -38.9 36.8 21.5 29.8 48 48 A K H <5S+ 0 0 136 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.936 112.1 43.2 -61.2 -49.0 33.2 20.4 29.5 49 49 A A H <5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.900 123.5 38.7 -63.3 -38.7 34.0 17.4 27.2 50 50 A I H <5S- 0 0 34 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.753 103.1-130.3 -83.4 -36.7 37.0 16.5 29.3 51 51 A G T <5S+ 0 0 64 -4,-3.6 2,-0.3 1,-0.3 -3,-0.2 0.880 75.4 70.2 83.9 39.2 35.6 17.2 32.7 52 52 A R S - 0 0 9 -2,-0.8 3,-0.8 -11,-0.3 -1,-0.2 0.714 34.7-138.1 -92.6 -30.1 42.4 21.9 30.7 55 55 A N T 3 S- 0 0 112 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.912 72.0 -61.7 65.5 38.1 43.8 25.1 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.547 116.6 101.7 64.3 17.2 43.4 23.9 26.0 57 57 A V B < +C 16 0B 66 -3,-0.8 2,-0.2 -41,-0.2 -41,-0.2 -0.981 46.1 179.5-132.3 135.3 45.8 21.0 26.4 58 58 A I - 0 0 7 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.736 26.6-107.5-127.0 174.3 44.9 17.3 26.9 59 59 A T > - 0 0 62 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.638 32.1-110.2 -97.6 165.7 46.7 14.1 27.3 60 60 A K H > S+ 0 0 112 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.811 119.1 52.6 -61.9 -36.9 47.0 11.3 24.7 61 61 A D H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 108.9 49.4 -66.6 -40.0 44.7 9.1 26.7 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.922 110.1 50.9 -66.7 -40.1 42.1 11.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.930 111.5 48.3 -59.1 -46.0 42.4 12.3 23.1 64 64 A E H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.843 108.6 55.4 -63.1 -29.3 41.9 8.6 22.6 65 65 A K H X S+ 0 0 140 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.960 108.8 45.1 -66.3 -52.5 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.884 111.3 56.1 -54.8 -44.9 37.2 11.4 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.936 107.1 47.1 -55.1 -49.4 38.0 9.4 19.7 68 68 A N H X S+ 0 0 91 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.927 113.2 49.4 -59.0 -44.1 36.3 6.2 20.9 69 69 A Q H X S+ 0 0 102 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.910 111.1 49.2 -59.0 -47.0 33.3 8.2 22.0 70 70 A D H X S+ 0 0 31 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.866 109.3 50.9 -63.8 -40.3 33.2 9.9 18.6 71 71 A V H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.927 112.3 47.6 -66.0 -44.7 33.4 6.7 16.6 72 72 A D H X S+ 0 0 120 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.955 111.2 50.5 -63.4 -40.2 30.7 5.1 18.6 73 74 A A H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.896 110.4 49.0 -63.2 -43.1 28.5 8.1 18.2 74 75 A V H X S+ 0 0 13 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.901 107.4 54.7 -62.0 -41.9 28.9 8.2 14.5 75 76 A R H < S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.2 4,-0.2 0.924 107.2 54.1 -57.9 -32.1 28.1 4.6 14.3 76 77 A G H >< S+ 0 0 41 -4,-2.1 3,-2.5 1,-0.2 -2,-0.2 0.957 104.1 50.9 -64.2 -55.1 25.0 5.6 16.1 77 78 A I H >< S+ 0 0 44 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.790 99.5 67.6 -54.8 -27.0 24.0 8.2 13.5 78 79 A L T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.3 9,-0.3 0.583 87.2 67.6 -70.5 -8.1 24.5 5.5 10.9 79 80 A R T < S+ 0 0 90 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.367 77.8 120.8 -92.0 3.6 21.4 3.8 12.4 80 81 A N S <> S- 0 0 29 -3,-1.6 4,-1.1 -4,-0.1 -3,-0.0 0.143 78.3-112.8 -42.8 177.4 19.4 6.7 11.1 81 82 A A T 4 S+ 0 0 77 2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.804 116.3 45.9 -97.5 -24.4 16.6 5.9 8.7 82 83 A K T 4 S+ 0 0 137 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.713 124.3 32.8 -81.5 -28.7 18.2 7.7 5.8 83 84 A L T > S+ 0 0 9 -6,-0.2 4,-2.6 2,-0.1 3,-0.5 0.769 100.2 75.1-101.9 -28.7 21.6 6.1 6.5 84 85 A K H X S+ 0 0 73 -4,-1.1 4,-2.7 1,-0.2 5,-0.3 0.853 92.8 53.1 -54.1 -43.6 20.8 2.8 7.9 85 86 A P H > S+ 0 0 56 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.872 112.3 47.1 -65.1 -32.9 19.9 1.1 4.6 86 87 A V H >> S+ 0 0 4 -3,-0.5 4,-0.8 -4,-0.2 3,-0.5 0.964 113.6 44.9 -73.6 -54.0 23.0 2.2 3.1 87 88 A Y H >< S+ 0 0 17 -4,-2.6 3,-1.5 -9,-0.3 -3,-0.2 0.951 112.3 52.3 -56.9 -41.1 25.3 1.2 5.8 88 89 A D H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 103.8 57.7 -69.1 -20.7 23.6 -2.2 6.2 89 90 A S H << S+ 0 0 38 -4,-1.0 -1,-0.3 -3,-0.5 2,-0.2 0.678 94.6 92.6 -80.0 -17.5 23.9 -2.9 2.6 90 91 A L S << S- 0 0 6 -3,-1.5 31,-0.0 -4,-0.8 2,-0.0 -0.527 72.8-121.5 -84.8 157.1 27.7 -2.5 2.7 91 92 A D > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.190 45.2 -90.6 -76.6 170.9 30.6 -4.9 3.3 92 93 A A H > S+ 0 0 83 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.847 122.4 45.7 -57.6 -41.7 33.0 -4.3 6.2 93 94 A V H > S+ 0 0 26 62,-0.2 4,-1.6 2,-0.2 3,-0.3 0.924 113.3 48.4 -70.3 -46.3 35.6 -2.1 4.4 94 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.877 104.8 59.4 -64.8 -31.4 33.0 0.1 2.7 95 96 A R H X S+ 0 0 70 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.917 102.3 55.4 -60.7 -36.4 31.2 0.6 6.0 96 97 A A H X S+ 0 0 8 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.908 105.0 51.2 -63.3 -41.3 34.5 2.0 7.3 97 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.880 108.6 52.0 -61.1 -35.1 34.6 4.6 4.5 98 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.923 108.7 50.1 -70.3 -40.4 31.0 5.7 5.3 99 100 A I H X S+ 0 0 10 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.931 108.5 53.7 -60.2 -42.4 31.9 6.2 8.9 100 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.930 108.5 49.0 -58.1 -50.6 34.9 8.3 7.9 101 102 A M H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.904 114.0 44.0 -56.7 -48.4 32.7 10.5 5.8 102 103 A V H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.858 110.5 56.4 -67.7 -37.5 30.2 11.1 8.5 103 104 A F H < S+ 0 0 27 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.940 114.4 39.8 -58.6 -44.4 32.9 11.6 11.0 104 105 A Q H < S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.896 131.5 21.1 -73.3 -39.8 34.4 14.3 8.9 105 106 A M H X S- 0 0 42 -4,-2.6 4,-0.9 -5,-0.2 -3,-0.2 0.507 95.2-130.2-115.3 2.9 31.2 16.1 7.7 106 107 A G H X - 0 0 27 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.077 38.9 -70.5 68.4 165.9 28.4 15.3 10.1 107 108 A E H > S+ 0 0 86 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.911 135.0 55.3 -49.8 -53.1 24.9 14.0 9.3 108 109 A T H 4 S+ 0 0 114 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.778 111.0 43.6 -54.1 -36.7 24.1 17.4 7.9 109 110 A G H >< S+ 0 0 26 -4,-0.9 3,-1.0 1,-0.2 -2,-0.2 0.925 111.2 51.7 -80.7 -44.7 27.0 17.2 5.5 110 111 A V H >< S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.653 93.6 82.6 -66.6 -13.0 26.5 13.7 4.4 111 112 A A G >< S+ 0 0 58 -4,-0.9 3,-1.0 1,-0.3 -1,-0.3 0.856 82.8 53.9 -57.6 -50.1 22.9 14.8 3.7 112 113 A G G < S+ 0 0 72 -3,-1.0 3,-0.3 -4,-0.5 -1,-0.3 0.350 90.0 83.0 -71.6 7.9 23.6 16.3 0.2 113 114 A F G X> + 0 0 25 -3,-1.2 4,-3.1 1,-0.2 3,-1.0 0.297 51.8 122.6 -99.3 19.6 25.1 12.9 -0.8 114 115 A T H <> S+ 0 0 81 -3,-1.0 4,-2.5 1,-0.3 5,-0.2 0.824 74.1 47.8 -43.0 -47.9 21.7 11.3 -1.6 115 116 A N H 3> S+ 0 0 83 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.868 113.6 45.1 -66.7 -40.2 22.6 10.5 -5.0 116 117 A S H <> S+ 0 0 2 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.903 112.5 53.8 -68.5 -39.0 26.0 9.0 -4.2 117 118 A L H X S+ 0 0 17 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.931 106.3 51.4 -61.1 -43.2 24.4 7.1 -1.4 118 119 A R H X S+ 0 0 120 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.927 109.4 50.8 -58.9 -44.4 21.8 5.6 -3.7 119 120 A M H <>S+ 0 0 31 -4,-1.8 5,-2.0 2,-0.2 -1,-0.3 0.839 109.9 49.4 -65.3 -36.1 24.6 4.5 -6.1 120 121 A L H ><5S+ 0 0 0 -4,-1.9 3,-2.5 2,-0.2 -2,-0.2 0.938 106.7 55.8 -69.9 -42.3 26.5 2.9 -3.3 121 122 A Q H 3<5S+ 0 0 84 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.908 108.5 49.1 -54.8 -34.8 23.4 1.1 -2.2 122 123 A Q T 3<5S- 0 0 98 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.453 112.4-121.2 -86.8 4.8 23.1 -0.2 -5.7 123 124 A K T < 5 + 0 0 103 -3,-2.5 2,-1.1 1,-0.2 -3,-0.2 0.768 63.6 143.8 62.2 34.2 26.8 -1.4 -5.7 124 125 A R >< + 0 0 107 -5,-2.0 4,-2.9 1,-0.2 -1,-0.2 -0.744 22.1 172.3-101.1 74.2 27.6 0.7 -8.7 125 126 A W H > + 0 0 48 -2,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.887 67.8 43.7 -58.0 -51.8 31.1 1.5 -7.5 126 127 A D H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 116.7 48.4 -65.5 -37.9 32.7 3.3 -10.4 127 128 A E H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.913 112.2 48.5 -69.4 -42.3 29.7 5.3 -11.0 128 129 A A H X S+ 0 0 1 -4,-2.9 4,-3.8 -9,-0.2 5,-0.2 0.890 107.9 55.9 -59.3 -45.1 29.4 6.2 -7.3 129 130 A A H X S+ 0 0 10 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.888 109.0 47.0 -57.8 -39.1 33.1 7.2 -7.2 130 131 A V H X S+ 0 0 87 -4,-2.0 4,-0.7 2,-0.2 3,-0.5 0.962 114.6 46.3 -68.6 -44.5 32.6 9.7 -10.0 131 132 A N H >< S+ 0 0 40 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.925 107.2 56.8 -64.3 -42.3 29.5 11.1 -8.4 132 133 A L H 3< S+ 0 0 0 -4,-3.8 6,-0.3 1,-0.2 -1,-0.2 0.835 101.8 59.4 -56.7 -30.2 31.2 11.4 -5.0 133 134 A A H 3< S+ 0 0 26 -4,-1.0 2,-2.0 -3,-0.5 -1,-0.2 0.745 84.7 80.7 -76.5 -18.3 34.0 13.5 -6.7 134 135 A K S << S+ 0 0 161 -3,-1.4 2,-0.3 -4,-0.7 -1,-0.2 -0.540 80.2 97.6 -85.5 71.4 31.5 16.2 -7.8 135 136 A S S > S- 0 0 16 -2,-2.0 4,-1.9 1,-0.1 3,-0.3 -0.999 84.6-117.2-158.7 155.9 31.4 17.8 -4.5 136 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.886 113.9 63.8 -60.4 -41.1 32.7 20.6 -2.4 137 138 A W H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.907 105.1 44.8 -45.8 -47.4 34.2 17.9 -0.1 138 139 A Y H 4 S+ 0 0 69 -3,-0.3 -1,-0.2 -6,-0.3 -2,-0.2 0.919 114.6 47.2 -68.4 -45.0 36.4 16.7 -2.9 139 140 A N H < S+ 0 0 108 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.855 117.4 43.8 -64.9 -34.6 37.5 20.1 -4.1 140 141 A Q H < S+ 0 0 103 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.844 131.3 16.6 -79.6 -44.4 38.3 21.2 -0.5 141 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 -0.646 74.0 163.5-130.4 72.7 40.1 18.2 0.9 142 143 A P H > + 0 0 48 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.824 68.0 52.6 -64.4 -39.5 41.1 16.3 -2.2 143 144 A N H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.941 115.1 41.4 -69.5 -41.7 43.7 14.0 -0.8 144 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 113.0 54.1 -64.7 -49.0 41.5 12.7 1.9 145 146 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 -8,-0.2 5,-0.2 0.907 106.7 53.0 -51.9 -43.1 38.5 12.5 -0.4 146 147 A K H X S+ 0 0 89 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.886 107.0 50.0 -60.0 -44.1 40.4 10.4 -2.9 147 148 A R H X S+ 0 0 68 -4,-1.4 4,-1.6 2,-0.2 12,-0.2 0.941 115.4 44.5 -59.3 -46.2 41.5 7.8 -0.2 148 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.938 113.7 49.7 -63.3 -45.7 37.9 7.5 0.9 149 150 A I H X S+ 0 0 12 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.900 109.0 51.7 -62.7 -39.1 36.6 7.4 -2.7 150 151 A T H X S+ 0 0 33 -4,-2.9 4,-2.7 -5,-0.2 6,-0.4 0.861 106.9 55.2 -64.6 -35.2 39.1 4.7 -3.6 151 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 109.8 44.6 -64.3 -44.0 38.0 2.7 -0.6 152 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.867 115.9 48.5 -68.1 -34.9 34.3 2.8 -1.8 153 154 A R H < S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.934 125.7 25.5 -68.9 -44.2 35.4 1.9 -5.3 154 155 A T H < S- 0 0 46 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.642 84.7-138.5 -92.9 -28.5 37.6 -1.0 -4.5 155 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.2 -62,-0.2 0.698 72.0 102.2 67.6 21.2 36.4 -2.3 -1.2 156 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.765 80.9-118.7-124.1 175.1 40.1 -2.7 -0.1 157 158 A W S >> S+ 0 0 44 -2,-0.2 3,-1.6 1,-0.2 4,-0.6 0.081 72.5 121.2 -94.5 16.6 42.5 -0.7 2.1 158 159 A D G >4 + 0 0 90 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.828 66.9 56.1 -51.4 -37.8 44.9 -0.0 -0.7 159 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.728 110.7 47.7 -67.6 -20.2 44.7 3.8 -0.5 160 161 A Y G <4 0 0 20 -3,-1.6 -1,-0.2 -13,-0.1 -2,-0.2 0.456 360.0 360.0-100.6 -5.1 45.8 3.5 3.2 161 162 A K << 0 0 167 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.816 360.0 360.0-105.3 360.0 48.6 1.1 2.7