==== 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 23-OCT-97 244L . 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) . 8616.0 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 . 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 . 85 52.5 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 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 73 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 153.7 43.3 -1.8 9.2 2 2 A N > - 0 0 64 1,-0.1 4,-2.7 156,-0.0 5,-0.2 -0.945 360.0 -79.7-162.3 173.2 40.1 -0.7 10.8 3 3 A I H > S+ 0 0 32 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.857 125.0 50.8 -50.1 -44.1 37.8 2.3 11.3 4 4 A F H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 114.0 41.0 -62.6 -51.0 40.0 3.6 14.2 5 5 A E H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 113.5 55.7 -65.8 -34.3 43.3 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.941 111.6 41.5 -64.0 -48.6 41.7 4.7 9.2 7 7 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.840 109.0 59.4 -68.4 -34.5 40.4 7.8 10.9 8 8 A R H X S+ 0 0 93 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.892 108.2 47.5 -63.6 -31.3 43.7 8.3 12.9 9 9 A I H < S+ 0 0 88 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.1 42.7 -72.5 -43.3 45.4 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.804 124.6 32.5 -73.0 -30.5 43.0 11.0 8.1 11 11 A E H < S- 0 0 43 -4,-2.7 19,-0.3 1,-0.1 -1,-0.2 0.658 90.8-152.9-103.0 -24.1 42.6 13.2 11.1 12 12 A G < - 0 0 23 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.1 -0.128 23.6 -87.2 74.1-174.2 46.0 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.942 42.7 169.8-137.4 121.3 46.5 13.7 16.5 14 14 A R E -A 28 0A 143 14,-1.5 14,-2.6 -2,-0.4 4,-0.1 -0.998 20.8-162.1-134.1 128.7 47.1 17.1 18.1 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.386 75.2 64.8 -87.6 -1.9 47.1 17.7 21.9 16 16 A K E S-C 57 0B 136 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.959 100.1 -90.6-121.0 146.7 46.5 21.5 21.7 17 17 A I E + 0 0 29 39,-1.5 2,-0.3 -2,-0.4 10,-0.2 -0.211 58.0 169.1 -51.4 135.2 43.5 23.3 20.3 18 18 A Y E -A 26 0A 26 8,-2.7 8,-3.3 6,-0.1 2,-0.5 -0.867 35.6-101.0-142.3 173.4 44.0 23.8 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.872 33.0-135.4-105.5 138.4 42.0 24.9 13.8 20 20 A D > - 0 0 47 4,-2.7 3,-2.2 -2,-0.5 -1,-0.1 -0.043 40.9 -81.6 -77.7-174.9 40.6 22.4 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.733 134.4 47.3 -61.6 -23.2 40.6 22.7 7.5 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.380 124.3-102.9 -95.5 -2.1 37.5 24.9 7.7 23 23 A G S < S+ 0 0 35 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.512 73.9 140.2 90.0 11.3 39.0 27.1 10.5 24 24 A Y - 0 0 71 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.3 -0.672 60.8-100.8 -92.9 144.8 37.1 25.6 13.5 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-2.8 11,-0.4 9,-1.3 -0.387 54.4 164.1 -61.2 126.9 38.5 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-2.7 6,-0.2 2,-0.3 -0.896 18.3-168.2-140.2 164.4 39.4 21.3 17.2 27 27 A I E > - B 0 31A 0 4,-1.7 4,-1.9 -2,-0.3 -12,-0.2 -0.986 51.6 -1.8-150.9 160.9 41.4 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.5 -2,-0.3 2,-1.1 -0.348 123.1 -5.0 67.1-132.1 42.8 15.4 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.595 128.0 -52.9-101.1 73.3 41.7 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.1 2,-1.1 -19,-0.3 -2,-0.2 0.760 82.3 160.8 70.0 25.3 39.4 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.7 1,-0.0 -1,-0.2 -0.647 33.1-143.6 -83.4 104.8 37.2 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.426 19.0-176.7 -65.6 128.8 35.4 19.5 16.7 33 33 A L E - 0 0 14 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.877 58.4 -29.2 -93.7 -44.8 34.9 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.973 32.5-135.5-167.8 156.6 32.9 24.6 18.2 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.558 73.9 115.2 -91.1 -10.3 32.1 26.5 15.1 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.288 71.5-133.4 -63.1 140.0 32.4 29.7 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.504 77.1 105.5 -73.7 0.7 35.1 32.1 16.3 38 38 A S > - 0 0 49 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.737 55.0-164.2 -94.6 121.8 35.9 32.3 20.0 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.2 1,-0.3 5,-0.2 0.789 96.7 55.9 -65.0 -30.7 38.9 30.6 21.4 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.892 104.7 51.3 -67.5 -41.7 37.4 31.1 24.8 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 110.6 49.9 -61.2 -38.6 34.3 29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.884 109.4 50.6 -64.7 -43.8 36.5 26.5 22.5 43 43 A K H X S+ 0 0 60 -4,-2.2 4,-1.9 1,-0.2 11,-0.2 0.884 110.1 50.9 -63.5 -39.6 38.3 26.3 25.7 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 110.2 47.1 -64.3 -47.4 35.1 26.2 27.5 45 45 A E H X S+ 0 0 70 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.930 111.0 54.7 -62.7 -38.7 33.7 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.933 107.7 46.5 -59.9 -47.0 37.0 21.5 25.8 47 47 A D H X>S+ 0 0 37 -4,-1.9 4,-2.5 1,-0.2 5,-1.3 0.882 112.9 51.7 -63.5 -36.3 36.9 21.6 29.6 48 48 A K H <5S+ 0 0 140 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.859 111.1 47.8 -65.9 -39.6 33.3 20.5 29.5 49 49 A A H <5S+ 0 0 43 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.875 120.4 36.1 -69.3 -38.3 34.2 17.6 27.2 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.745 102.3-124.0 -88.3 -32.2 37.2 16.4 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.743 77.2 64.9 92.6 23.8 35.8 17.1 32.8 52 52 A R S - 0 0 8 -2,-0.9 3,-1.3 -11,-0.2 -1,-0.2 0.709 33.8-143.6 -98.2 -26.5 42.6 21.9 30.6 55 55 A N T 3 S- 0 0 116 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.890 72.8 -57.4 62.0 37.0 43.8 25.2 29.5 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.450 118.4 101.3 74.3 2.5 43.6 24.1 25.9 57 57 A V B < +C 16 0B 59 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.961 44.7 176.9-123.9 137.5 45.8 21.2 26.4 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.854 25.5-113.1-130.1 166.0 45.0 17.5 26.7 59 59 A T > - 0 0 65 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.517 33.0-106.0 -92.7 166.6 46.9 14.2 27.1 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.892 120.6 52.9 -56.9 -44.8 47.0 11.3 24.7 61 61 A D H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.866 109.7 49.5 -58.4 -43.6 44.7 9.2 26.8 62 62 A E H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 109.7 50.3 -65.2 -43.0 42.2 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -34,-0.4 0.878 110.1 51.4 -61.0 -40.4 42.3 12.4 23.1 64 64 A E H X S+ 0 0 73 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.863 106.7 53.7 -67.9 -31.5 41.8 8.7 22.7 65 65 A K H X S+ 0 0 137 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.942 109.7 46.4 -68.3 -43.7 38.8 8.8 25.0 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.933 112.2 54.5 -61.1 -45.9 37.1 11.6 22.9 67 67 A F H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.910 106.4 48.2 -54.2 -49.4 38.0 9.6 19.8 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.902 113.3 49.8 -61.4 -37.2 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 92 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.917 111.0 48.0 -66.7 -44.5 33.3 8.3 21.9 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.858 110.5 50.4 -68.3 -34.7 33.1 10.1 18.5 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.967 111.8 48.3 -66.9 -49.4 33.5 6.9 16.5 72 72 A D H X S+ 0 0 104 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.943 113.4 47.7 -53.9 -47.1 30.8 5.2 18.5 73 73 A A H X S+ 0 0 59 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 110.2 53.8 -63.2 -38.2 28.5 8.3 18.0 74 74 A A H X S+ 0 0 12 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.966 113.7 39.5 -60.7 -57.1 29.3 8.3 14.3 75 75 A V H X S+ 0 0 36 -4,-2.7 4,-1.8 1,-0.2 3,-0.2 0.951 115.9 50.9 -59.2 -47.1 28.4 4.7 13.7 76 76 A R H X S+ 0 0 149 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.841 107.2 55.9 -61.6 -32.5 25.3 4.8 16.0 77 77 A G H X S+ 0 0 3 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.892 103.4 53.3 -68.4 -39.3 24.2 8.0 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.8 3,-0.6 -3,-0.2 7,-0.5 0.945 109.2 49.7 -58.2 -43.7 24.2 6.2 10.8 79 79 A L H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 111.5 48.6 -66.9 -29.2 22.0 3.5 12.3 80 80 A R H 3< S+ 0 0 172 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.588 93.7 91.1 -85.2 -14.5 19.6 6.0 13.7 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.6 0.874 99.1 70.5 -88.1 -42.5 21.9 6.1 6.0 85 85 A K H 3X S+ 0 0 88 -4,-2.6 4,-2.7 -7,-0.5 5,-0.2 0.886 97.8 50.1 -48.5 -45.2 21.0 2.9 7.7 86 86 A P H 3> S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.890 111.9 48.9 -65.1 -35.5 19.9 1.1 4.7 87 87 A V H <> S+ 0 0 4 -3,-0.6 4,-0.8 -4,-0.5 3,-0.4 0.965 112.2 46.9 -66.1 -50.4 23.0 2.0 2.8 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.876 109.8 53.7 -59.3 -41.1 25.3 1.0 5.6 89 89 A D H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.851 105.7 54.7 -66.1 -30.2 23.5 -2.3 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.4 -1,-0.2 -3,-0.4 2,-0.2 0.627 96.7 89.0 -75.1 -16.6 23.9 -3.2 2.4 91 91 A L S << S- 0 0 4 -3,-0.8 31,-0.0 -4,-0.8 30,-0.0 -0.566 76.3-116.6 -89.6 155.8 27.7 -2.7 2.5 92 92 A D > - 0 0 52 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.172 43.7 -93.6 -75.2 169.9 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.877 121.7 48.9 -61.7 -43.2 32.8 -4.3 6.2 94 94 A V H > S+ 0 0 24 62,-0.2 4,-1.7 1,-0.2 3,-0.4 0.966 113.2 47.0 -61.3 -50.9 35.5 -2.2 4.5 95 95 A R H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.866 104.3 61.1 -62.6 -32.2 33.0 0.0 2.8 96 96 A R H X S+ 0 0 82 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.923 102.8 52.7 -56.5 -42.3 31.1 0.5 6.0 97 97 A A H X S+ 0 0 10 -4,-1.5 4,-2.2 -3,-0.4 -1,-0.2 0.914 106.3 54.1 -61.2 -38.7 34.2 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.877 110.1 45.5 -61.5 -40.8 34.3 4.4 4.4 99 99 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.919 111.5 51.7 -70.1 -39.0 30.8 5.6 5.0 100 100 A A H X S+ 0 0 3 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.885 105.0 57.5 -65.8 -33.0 31.5 6.0 8.7 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.966 107.4 47.9 -60.8 -46.7 34.6 8.1 7.8 102 102 A M H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.901 111.2 50.2 -60.3 -43.8 32.4 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.928 108.3 52.9 -61.3 -42.2 30.0 10.7 8.7 104 104 A F H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.2 39.4 -59.6 -40.5 32.7 11.5 11.2 105 105 A Q H < S+ 0 0 57 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.874 132.1 19.3 -77.2 -46.6 34.1 14.3 9.0 106 106 A M H X S- 0 0 52 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.409 103.4-110.6-113.7 3.7 30.9 15.9 7.8 107 107 A G H X - 0 0 32 -4,-2.5 4,-2.0 -5,-0.3 5,-0.2 0.198 32.6 -85.9 81.0 151.7 28.1 14.9 10.0 108 108 A E H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 126.5 55.7 -65.3 -37.2 25.2 12.7 9.3 109 109 A T H > S+ 0 0 121 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.913 107.0 49.6 -61.7 -44.0 23.2 15.4 7.9 110 110 A G H < S+ 0 0 32 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 114.1 44.3 -63.1 -41.7 25.9 16.3 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-3.3 1,-0.2 -2,-0.2 0.908 103.9 61.8 -73.6 -40.4 26.3 12.7 4.2 112 112 A A H 3< S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.785 96.4 66.0 -55.2 -23.1 22.6 12.0 4.0 113 113 A G T 3< S+ 0 0 56 -4,-0.8 2,-1.1 1,-0.2 3,-0.3 0.540 75.9 84.3 -73.9 -10.0 22.7 14.8 1.5 114 114 A F <> + 0 0 37 -3,-3.3 4,-2.6 1,-0.2 3,-0.4 -0.244 58.2 154.6 -87.6 47.4 24.7 12.7 -0.9 115 115 A T H > + 0 0 61 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.858 64.4 45.8 -41.5 -54.8 21.5 11.2 -2.1 116 116 A N H > S+ 0 0 78 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.902 114.9 47.5 -63.5 -38.9 22.5 10.2 -5.6 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.875 109.2 54.6 -69.7 -37.4 25.8 8.6 -4.4 118 118 A L H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.933 107.1 51.4 -60.6 -45.1 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 113 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.937 110.7 47.8 -59.8 -40.8 21.7 5.3 -4.2 120 120 A M H <>S+ 0 0 33 -4,-1.9 5,-2.7 1,-0.2 4,-0.3 0.870 110.6 50.9 -68.9 -34.8 24.6 4.1 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.937 108.6 52.4 -66.7 -44.8 26.4 2.6 -3.4 122 122 A Q H 3<5S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.9 48.1 -59.3 -34.6 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.462 113.7-121.6 -83.3 -2.4 23.1 -0.6 -5.9 124 124 A K T < 5 + 0 0 96 -3,-1.8 2,-1.4 -4,-0.3 -3,-0.2 0.779 60.0 150.8 64.9 31.5 26.8 -1.6 -5.7 125 125 A R >< + 0 0 103 -5,-2.7 4,-2.4 1,-0.2 -1,-0.2 -0.721 19.5 175.4 -92.5 80.0 27.6 0.6 -8.7 126 126 A W H > + 0 0 52 -2,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.889 69.6 42.0 -57.6 -52.9 31.2 1.2 -7.5 127 127 A D H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 115.9 50.6 -65.0 -40.9 32.7 3.2 -10.3 128 128 A E H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.885 109.8 49.8 -65.2 -39.6 29.6 5.2 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.910 107.4 54.9 -64.8 -42.2 29.4 6.1 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.886 108.4 48.3 -57.2 -43.4 33.0 7.2 -7.1 131 131 A V H X S+ 0 0 86 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.909 113.6 46.1 -65.5 -42.6 32.5 9.6 -9.9 132 132 A N H >< S+ 0 0 39 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.904 107.7 57.6 -70.9 -31.8 29.5 11.1 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.3 1,-0.2 -1,-0.2 0.815 100.8 58.6 -65.3 -29.4 31.2 11.4 -5.0 134 134 A A H 3< S+ 0 0 28 -4,-1.2 2,-2.3 -3,-0.3 -1,-0.2 0.727 85.4 80.4 -74.1 -20.7 33.9 13.5 -6.6 135 135 A K S << S+ 0 0 156 -3,-0.8 2,-0.4 -4,-0.7 -1,-0.2 -0.439 81.4 97.0 -81.8 66.6 31.5 16.1 -7.8 136 136 A S S > S- 0 0 16 -2,-2.3 4,-2.0 1,-0.1 5,-0.2 -1.000 84.9-115.6-154.9 158.8 31.3 17.8 -4.4 137 137 A R H > S+ 0 0 150 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.897 115.0 60.7 -58.5 -41.0 32.5 20.5 -2.3 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.940 105.5 45.8 -53.6 -48.5 34.0 17.8 -0.0 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.4 48.5 -65.3 -38.4 36.2 16.5 -2.8 140 140 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.5 43.3 -70.3 -32.3 37.3 20.0 -3.8 141 141 A Q H < S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.916 131.3 18.6 -82.3 -42.2 38.1 21.1 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 -0.573 73.0 162.5-131.1 73.2 39.9 18.0 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.834 69.6 52.2 -59.4 -46.6 40.9 16.1 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.923 116.4 40.9 -62.4 -39.6 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.948 114.4 51.6 -70.6 -49.4 41.3 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -8,-0.2 5,-0.3 0.909 108.9 52.9 -52.9 -44.1 38.3 12.4 -0.4 147 147 A K H X S+ 0 0 99 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.929 107.7 51.2 -60.0 -41.9 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.936 113.8 42.5 -59.7 -47.8 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.893 114.0 52.1 -65.9 -41.6 37.7 7.3 1.0 150 150 A I H X S+ 0 0 14 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.910 108.0 50.5 -62.4 -45.0 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.7 4,-2.7 -5,-0.3 6,-0.3 0.881 107.7 55.3 -63.2 -35.5 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.906 110.1 44.1 -64.4 -40.7 37.9 2.6 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 114.9 51.6 -71.4 -33.8 34.3 2.6 -1.8 154 154 A R H < S+ 0 0 108 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.928 124.3 22.6 -66.4 -45.0 35.5 1.8 -5.3 155 155 A T H < S- 0 0 49 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.651 86.2-134.6 -99.7 -21.3 37.7 -1.2 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.610 73.3 100.3 72.7 13.7 36.4 -2.5 -1.2 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.1 -1,-0.3 -0.728 80.9-118.6-121.7 176.2 40.0 -2.8 0.1 158 158 A W S > S+ 0 0 37 -2,-0.2 3,-2.3 1,-0.2 4,-0.5 0.168 71.8 122.3 -97.8 17.5 42.3 -0.8 2.4 159 159 A D G > + 0 0 100 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.818 66.6 57.3 -49.3 -41.5 44.8 -0.1 -0.4 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.645 109.3 47.6 -68.6 -13.5 44.6 3.7 -0.2 161 161 A Y G < 0 0 19 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.418 360.0 360.0-105.6 0.1 45.5 3.5 3.4 162 162 A K < 0 0 176 -3,-1.4 -2,-0.2 -4,-0.5 -3,-0.1 0.859 360.0 360.0-100.7 360.0 48.4 1.1 2.7