==== 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 22-OCT-97 248L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 0 1 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.1 43.7 -1.9 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.9 1,-0.0 5,-0.2 -0.951 360.0 -81.0-155.0 174.0 40.5 -0.8 10.8 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.842 125.0 49.6 -50.4 -41.4 38.3 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 113.7 43.3 -68.5 -47.2 40.5 3.6 14.1 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.878 114.7 52.6 -65.7 -35.2 43.7 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.3 0.945 112.3 42.1 -66.0 -50.7 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.4 0.830 108.1 62.6 -67.5 -25.7 40.7 7.8 10.9 8 8 A R H X S+ 0 0 99 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.895 105.9 45.3 -67.2 -31.8 44.0 8.2 12.7 9 9 A I H < S+ 0 0 88 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.918 116.2 46.1 -76.3 -38.8 45.7 8.6 9.4 10 10 A D H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.841 127.1 23.6 -72.1 -35.9 43.1 11.0 8.1 11 11 A E H < S- 0 0 42 -4,-2.7 19,-0.3 1,-0.2 -3,-0.2 0.695 89.5-151.3-104.0 -23.7 42.7 13.3 11.2 12 12 A G < - 0 0 24 -4,-1.6 2,-0.2 -5,-0.4 -1,-0.2 -0.303 25.1 -96.1 75.1-164.6 46.0 12.9 13.0 13 13 A L - 0 0 21 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.732 39.3-178.2-158.6 100.5 46.1 13.3 16.8 14 14 A R E -A 28 0A 139 14,-1.9 14,-1.6 -2,-0.2 4,-0.1 -0.868 20.3-154.7-106.6 135.4 47.0 16.6 18.4 15 15 A L E S+ 0 0 61 -2,-0.4 43,-1.8 12,-0.1 2,-0.3 0.087 76.6 60.0 -95.1 20.2 47.2 17.2 22.1 16 16 A K E S-C 57 0B 82 41,-0.2 12,-0.4 12,-0.1 41,-0.2 -0.915 99.4 -85.5-138.3 161.0 46.6 20.9 21.9 17 17 A I E + 0 0 13 39,-1.3 2,-0.3 -2,-0.3 10,-0.2 -0.521 58.6 170.2 -66.6 141.7 43.7 23.0 20.6 18 18 A Y E -A 26 0A 26 8,-3.2 8,-2.6 -2,-0.1 2,-0.5 -0.872 35.7-102.4-144.4 176.0 44.2 23.6 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.891 33.9-137.8-106.8 132.8 42.4 24.9 13.9 20 20 A D > - 0 0 48 4,-2.9 3,-1.9 -2,-0.5 -1,-0.1 -0.076 40.3 -82.7 -76.4-172.3 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.745 134.3 49.4 -63.5 -23.2 40.9 22.7 7.5 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.334 124.5-103.8 -94.2 1.4 37.8 25.1 7.8 23 23 A G S < S+ 0 0 36 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.651 74.1 141.8 84.0 19.0 39.5 27.2 10.5 24 24 A Y - 0 0 80 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.771 59.0-103.2 -99.4 146.9 37.5 25.8 13.5 25 25 A Y E +AB 19 34A 36 9,-0.6 8,-2.9 11,-0.4 9,-1.5 -0.399 54.3 157.2 -63.9 125.1 38.8 25.1 16.9 26 26 A T E -AB 18 32A 2 -8,-2.6 -8,-3.2 6,-0.3 2,-0.3 -0.877 21.8-161.3-142.4 168.5 39.4 21.4 17.4 27 27 A A E > + B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 -10,-0.1 -0.977 53.4 1.4-152.8 159.2 41.4 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-1.6 -14,-1.9 -12,-0.4 2,-1.1 -0.393 124.2 -6.2 68.2-134.9 42.6 15.5 19.6 29 29 A A T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.617 128.8 -52.5 -97.5 70.1 41.7 13.4 16.6 30 30 A G T 4 S+ 0 0 19 -2,-1.1 2,-1.1 -19,-0.3 -2,-0.2 0.739 81.9 162.4 72.1 24.1 39.4 15.8 14.8 31 31 A H E < -B 27 0A 36 -4,-2.0 -4,-1.7 1,-0.0 -1,-0.2 -0.637 33.9-140.3 -79.3 100.8 37.2 16.5 17.8 32 32 A L E -B 26 0A 67 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.368 22.0-177.8 -62.3 128.9 35.4 19.8 16.8 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.888 56.8 -27.7 -95.4 -44.6 35.1 22.1 19.7 34 34 A T E -B 25 0A 31 -9,-1.5 -9,-0.6 2,-0.1 -1,-0.4 -0.959 34.5-138.6-167.3 154.0 33.2 25.0 18.3 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.442 75.3 106.3 -96.2 -5.3 32.6 27.0 15.2 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.500 77.7-126.9 -77.7 148.9 32.8 30.2 17.0 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.458 75.6 108.7 -72.5 -2.5 35.9 32.3 16.5 38 38 A S > - 0 0 52 1,-0.1 4,-2.0 -13,-0.0 -2,-0.1 -0.728 53.6-160.6 -90.6 121.1 36.6 32.5 20.2 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.783 96.6 56.0 -61.8 -28.9 39.6 30.6 21.8 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.953 103.8 48.5 -70.5 -48.9 37.9 31.0 25.1 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.895 112.4 53.4 -58.1 -35.1 34.8 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.923 108.0 47.3 -65.7 -46.6 37.0 26.7 22.7 43 43 A K H X S+ 0 0 54 -4,-2.7 4,-2.3 2,-0.2 11,-0.3 0.891 110.4 54.6 -62.2 -37.3 38.8 26.1 25.9 44 44 A S H X S+ 0 0 72 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.946 109.7 45.6 -62.2 -46.1 35.5 26.1 27.7 45 45 A E H X S+ 0 0 65 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.898 111.5 53.8 -65.1 -39.5 34.1 23.3 25.5 46 46 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.935 109.8 45.7 -63.1 -43.7 37.3 21.4 25.8 47 47 A D H X>S+ 0 0 30 -4,-2.3 4,-3.1 1,-0.2 5,-1.2 0.909 111.7 51.9 -65.2 -40.6 37.2 21.4 29.6 48 48 A K H <5S+ 0 0 142 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.917 112.0 47.0 -62.9 -39.1 33.6 20.5 29.6 49 49 A A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.883 121.1 36.7 -69.3 -36.1 34.4 17.5 27.2 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.795 104.2-125.1 -87.3 -34.0 37.3 16.4 29.4 51 51 A G T <5S+ 0 0 66 -4,-3.1 2,-0.3 1,-0.4 -3,-0.2 0.802 76.8 68.7 92.3 31.3 36.0 17.1 32.8 52 52 A R S - 0 0 9 -2,-1.0 3,-1.0 -11,-0.3 -1,-0.2 0.744 31.7-143.5 -90.0 -29.4 42.7 21.7 30.7 55 55 A N T 3 S- 0 0 110 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.867 72.2 -57.1 67.3 32.8 44.1 25.0 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.3 1,-0.2 2,-0.4 0.534 119.2 99.8 75.9 8.0 44.0 23.9 26.0 57 57 A V B < +C 16 0B 72 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.983 45.3 177.0-129.8 135.1 46.2 20.9 26.5 58 58 A I - 0 0 5 -43,-1.8 2,-0.1 -2,-0.4 -30,-0.1 -0.827 27.5-112.6-129.3 166.0 45.2 17.2 27.0 59 59 A T > - 0 0 61 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.479 34.1-104.8 -94.3 173.9 47.0 14.0 27.4 60 60 A K H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 121.2 51.9 -64.3 -42.2 47.1 11.1 24.9 61 61 A D H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 109.5 49.9 -61.2 -41.4 44.7 9.0 26.9 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.3 49.3 -62.1 -44.9 42.2 11.9 27.1 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -34,-0.4 0.902 111.7 50.1 -60.3 -42.6 42.5 12.4 23.3 64 64 A E H X S+ 0 0 79 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.837 106.7 53.3 -67.2 -34.9 42.0 8.7 22.8 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.938 109.6 47.9 -66.6 -43.0 39.0 8.7 24.9 66 66 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.904 111.2 53.3 -60.8 -39.8 37.4 11.5 22.9 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.944 107.6 49.1 -61.0 -49.5 38.3 9.6 19.8 68 68 A N H X S+ 0 0 86 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.910 111.6 48.8 -57.2 -45.1 36.6 6.5 21.0 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 110.5 51.9 -61.5 -40.7 33.4 8.3 21.9 70 70 A D H X S+ 0 0 35 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.854 109.7 48.3 -67.1 -34.4 33.4 10.1 18.5 71 71 A V H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.937 112.0 49.3 -70.6 -42.5 33.7 6.8 16.6 72 72 A D H X S+ 0 0 85 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.928 110.8 51.1 -61.9 -40.8 30.9 5.3 18.6 73 73 A A H X S+ 0 0 48 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.883 106.8 52.6 -67.1 -36.1 28.8 8.3 18.0 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.940 111.2 47.7 -62.7 -46.1 29.3 8.3 14.2 75 75 A V H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.950 113.7 46.4 -58.8 -48.9 28.2 4.6 14.1 76 76 A R H X S+ 0 0 120 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.888 109.3 55.0 -66.4 -30.8 25.2 5.2 16.2 77 77 A G H X S+ 0 0 4 -4,-2.3 4,-1.0 -5,-0.3 3,-0.3 0.947 107.8 49.9 -65.6 -43.7 24.3 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 7,-0.3 0.941 110.2 50.4 -57.8 -46.1 24.4 6.1 11.0 79 79 A L H 3< S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 111.9 47.3 -68.7 -23.0 22.2 3.4 12.6 80 80 A R H 3< S+ 0 0 190 -4,-1.6 2,-0.5 -3,-0.3 -1,-0.3 0.579 92.2 94.2 -90.3 -16.0 19.6 5.9 13.7 81 81 A N S+ 0 0 119 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.773 120.2 43.2 -88.3 -28.0 18.7 7.4 4.9 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 5,-0.3 0.853 100.6 65.6 -86.0 -38.0 22.0 6.1 6.2 85 85 A K H X S+ 0 0 82 -4,-2.8 4,-2.9 -7,-0.3 5,-0.2 0.924 98.8 50.9 -52.6 -48.3 21.1 2.9 7.8 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.890 111.6 48.3 -62.6 -35.3 20.0 1.1 4.8 87 87 A V H X S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.2 -2,-0.2 0.969 111.5 48.9 -66.6 -51.5 23.2 1.9 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.931 110.0 52.1 -51.9 -49.3 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.872 106.9 54.6 -61.0 -33.7 23.6 -2.4 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.658 96.6 87.2 -73.9 -15.8 24.0 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.0 -4,-0.9 31,-0.0 -0.514 74.8-117.5 -90.8 160.0 27.8 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.241 44.1 -92.2 -77.3 172.4 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.858 121.6 48.0 -60.4 -42.4 33.1 -4.3 6.1 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.955 114.2 46.6 -64.5 -45.2 35.7 -2.2 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.844 104.8 60.5 -67.8 -30.2 33.1 0.0 2.7 96 96 A R H X S+ 0 0 79 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.931 102.7 53.8 -61.7 -39.0 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.911 104.5 54.1 -62.6 -37.4 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.892 109.1 48.2 -63.1 -36.4 34.5 4.4 4.5 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.908 109.0 53.1 -71.0 -39.0 31.0 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.942 106.9 54.3 -60.6 -41.4 31.9 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 107.5 48.3 -58.3 -45.6 34.8 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.7 4,-3.0 1,-0.2 5,-0.4 0.926 112.5 48.6 -63.3 -43.3 32.6 10.5 6.0 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.909 108.6 53.8 -63.0 -39.0 30.2 10.8 8.8 104 104 A F H < S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.913 115.7 41.1 -62.1 -39.5 33.0 11.5 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.905 131.9 16.8 -77.2 -43.3 34.2 14.3 9.1 106 106 A M H X S- 0 0 56 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.473 102.3-112.0-116.2 -0.4 31.0 15.9 8.0 107 107 A G H X - 0 0 32 -4,-2.5 4,-2.1 -5,-0.4 5,-0.2 0.151 35.4 -79.0 84.5 153.1 28.2 14.8 10.3 108 108 A E H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 128.5 51.9 -56.2 -43.4 25.2 12.6 9.7 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.913 106.6 52.4 -64.4 -42.3 23.3 15.4 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.957 114.4 42.1 -59.9 -50.8 26.0 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.6 1,-0.2 -1,-0.2 0.853 103.9 62.8 -65.3 -40.4 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.765 96.4 67.8 -57.8 -21.3 22.6 12.0 4.2 113 113 A G T << S+ 0 0 52 -4,-0.9 2,-2.1 -3,-0.6 3,-0.3 0.631 71.9 84.8 -73.6 -16.2 22.7 14.7 1.7 114 114 A F <> + 0 0 37 -3,-2.6 4,-2.5 1,-0.2 5,-0.3 -0.295 58.1 160.9 -85.5 57.5 24.7 12.8 -0.9 115 115 A T H > + 0 0 86 -2,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.871 66.3 44.5 -42.6 -56.0 21.5 11.4 -2.1 116 116 A N H > S+ 0 0 77 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.919 114.0 48.7 -63.1 -42.2 22.6 10.2 -5.5 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 109.6 53.4 -63.7 -41.2 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.918 107.8 50.3 -58.6 -44.7 24.1 6.8 -1.5 119 119 A R H X S+ 0 0 123 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.926 112.4 48.4 -62.4 -38.6 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 25 -4,-1.9 5,-2.1 1,-0.2 4,-0.3 0.887 110.6 49.3 -69.9 -39.5 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.908 108.7 53.4 -65.9 -39.9 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.906 109.3 49.1 -63.4 -30.9 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 91 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.436 112.8-120.4 -85.3 0.5 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 100 -3,-1.7 2,-1.3 -4,-0.3 -3,-0.2 0.773 62.7 146.5 64.6 31.1 26.8 -1.5 -5.8 125 125 A R >< + 0 0 106 -5,-2.1 4,-2.1 1,-0.2 -1,-0.2 -0.711 22.7 175.9 -96.4 79.8 27.6 0.6 -8.8 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.885 69.3 43.3 -57.1 -52.8 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 114.6 52.5 -64.9 -36.2 32.6 3.4 -10.3 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 108.8 48.1 -66.2 -42.6 29.5 5.4 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.903 108.6 55.8 -63.7 -38.1 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.915 108.2 46.7 -63.0 -42.7 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 92 -4,-2.0 4,-0.6 2,-0.2 3,-0.3 0.947 114.8 47.8 -65.4 -45.0 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 40 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.936 107.9 54.4 -62.4 -42.8 29.4 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.854 102.2 59.2 -60.6 -31.1 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.4 2,-1.7 -3,-0.3 -1,-0.3 0.656 85.3 80.4 -73.5 -16.5 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.572 81.2 96.0 -87.8 70.2 31.5 16.3 -7.7 136 136 A S S > S- 0 0 19 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.997 85.6-114.8-155.8 158.4 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.917 114.9 62.7 -59.0 -42.3 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.918 106.5 42.7 -49.2 -50.0 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 67 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.7 49.0 -67.5 -40.4 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.862 116.0 42.3 -68.4 -32.7 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.892 132.0 19.4 -79.9 -41.5 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.586 73.8 163.1-130.1 72.8 40.0 18.1 1.0 143 143 A P H > + 0 0 51 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.852 69.3 52.4 -61.9 -40.7 41.0 16.2 -2.1 144 144 A N H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.948 115.5 39.7 -67.6 -42.9 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 114.8 53.0 -68.5 -45.6 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.940 108.5 52.1 -56.0 -41.8 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 81 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.866 108.2 51.1 -60.3 -41.2 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.920 113.9 42.5 -63.4 -44.8 41.4 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.909 114.4 52.0 -66.8 -43.7 37.8 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.905 108.3 49.5 -61.1 -44.3 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.2 4,-2.6 -5,-0.2 6,-0.4 0.819 108.0 56.6 -64.3 -31.5 39.0 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.927 110.0 42.6 -66.1 -44.7 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.2 51.5 -68.2 -35.6 34.3 2.8 -1.7 154 154 A R H < S+ 0 0 102 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.917 123.4 23.7 -68.3 -43.9 35.5 2.0 -5.3 155 155 A T H < S- 0 0 46 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.640 86.9-134.5 -98.4 -21.5 37.7 -1.0 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.711 74.0 98.7 72.2 18.6 36.4 -2.4 -1.4 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.816 81.0-117.7-128.9 175.4 40.1 -2.7 -0.1 158 158 A W S >> S+ 0 0 41 -2,-0.2 3,-2.5 1,-0.2 4,-0.9 0.172 71.5 122.7 -97.5 15.4 42.4 -0.6 2.1 159 159 A D G >4 + 0 0 95 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.794 66.7 56.4 -50.4 -32.9 44.9 0.0 -0.6 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.603 110.9 45.7 -78.3 -10.5 44.7 3.8 -0.4 161 161 A Y G <4 0 0 18 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.518 360.0 360.0-108.2 -7.3 45.7 3.6 3.2 162 162 A K << 0 0 171 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.845 360.0 360.0 -98.8 360.0 48.5 1.1 2.8