==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 28-JAN-91 1L42 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAOPIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 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 7.3 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 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 1 1 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 70 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 147.5 37.0 -23.5 8.9 2 2 A N > - 0 0 69 95,-0.0 4,-2.4 1,-0.0 3,-0.2 -0.868 360.0 -83.5-145.3 175.6 34.8 -21.0 10.8 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.829 123.8 51.1 -54.7 -42.6 34.5 -17.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 112.3 44.5 -64.8 -44.0 37.1 -17.2 14.1 5 5 A E H > S+ 0 0 93 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.877 113.3 53.0 -67.1 -37.7 39.8 -19.0 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.930 113.0 41.4 -60.3 -52.8 39.0 -16.9 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.4 0.851 109.8 58.3 -67.7 -34.2 39.4 -13.6 10.9 8 8 A R H X S+ 0 0 105 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.901 107.8 48.5 -62.2 -34.2 42.4 -14.8 12.7 9 9 A I H < S+ 0 0 54 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.980 116.2 42.2 -68.6 -48.6 44.0 -15.5 9.3 10 10 A D H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.769 125.0 31.3 -67.9 -33.3 43.1 -12.0 7.9 11 11 A E H < S- 0 0 44 -4,-2.3 19,-0.3 -5,-0.2 -1,-0.2 0.731 90.4-148.9-100.4 -30.2 43.9 -9.9 11.0 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.240 22.6 -88.6 86.4 178.9 46.8 -11.6 12.7 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 42.7 172.0-133.9 122.7 47.5 -11.6 16.5 14 14 A R E -A 28 0A 134 14,-1.4 14,-2.0 -2,-0.4 4,-0.1 -0.999 19.5-165.2-134.5 132.2 49.6 -8.9 18.1 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.380 74.3 62.7 -96.8 -0.6 50.0 -8.5 21.9 16 16 A E E S-C 57 0B 129 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.933 101.1 -87.3-123.9 146.8 51.4 -5.0 21.7 17 17 A I E + 0 0 30 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.238 58.6 170.8 -50.5 135.2 49.7 -1.8 20.5 18 18 A Y E -A 26 0A 23 8,-2.8 8,-3.0 -4,-0.1 2,-0.5 -0.869 35.3-105.4-141.2 171.7 50.3 -1.6 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.914 32.9-139.0-103.5 132.6 49.2 0.5 13.9 20 20 A D > - 0 0 45 4,-3.5 3,-2.1 -2,-0.5 -1,-0.0 -0.077 41.3 -80.4 -74.2-173.2 46.8 -1.1 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.779 133.8 49.4 -60.6 -30.3 47.0 -0.7 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.342 123.7-104.1 -88.9 -1.8 45.3 2.7 7.9 23 23 A G S < S+ 0 0 34 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.510 74.4 139.8 88.6 12.1 47.7 3.8 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-3.5 -5,-0.0 -1,-0.3 -0.656 60.7-100.5 -92.7 152.0 45.3 3.5 13.5 25 25 A Y E +AB 19 34A 29 9,-0.8 8,-2.7 11,-0.4 9,-1.2 -0.459 53.3 163.9 -68.9 121.0 46.2 2.1 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.8 -2,-0.3 2,-0.3 -0.853 18.6-166.1-135.4 163.4 45.1 -1.5 17.2 27 27 A I E > - B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 -12,-0.2 -0.961 52.9 -5.4-150.4 160.8 45.8 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.0 -14,-1.4 -2,-0.3 2,-0.9 -0.262 123.4 -2.5 61.8-128.6 45.1 -8.3 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.691 127.9 -54.5 -99.4 75.0 43.1 -9.7 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.741 82.9 160.8 62.4 27.7 42.2 -6.5 14.7 31 31 A H E < -B 27 0A 31 -4,-1.9 -4,-1.5 1,-0.0 -1,-0.2 -0.680 33.5-142.8 -82.4 99.6 40.7 -4.8 17.8 32 32 A L E -B 26 0A 67 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.434 20.1-176.7 -63.4 129.3 40.7 -1.1 16.8 33 33 A L E - 0 0 14 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.897 57.8 -26.7 -93.6 -51.5 41.5 1.1 19.8 34 34 A T E -B 25 0A 28 -9,-1.2 -9,-0.8 2,-0.1 -1,-0.4 -0.983 34.7-138.2-161.4 151.8 41.2 4.7 18.5 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.528 74.3 115.1 -89.2 -6.6 41.5 6.7 15.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.250 72.0-132.2 -63.8 144.1 43.3 9.3 17.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.634 76.9 102.3 -72.0 -12.8 46.9 10.1 16.7 38 38 A S > - 0 0 48 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.633 55.8-161.9 -85.8 118.2 47.8 9.8 20.3 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-1.8 1,-0.3 -1,-0.2 0.757 100.0 55.6 -61.9 -19.8 49.5 6.7 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.936 103.2 49.4 -78.7 -46.1 48.4 7.9 24.9 41 41 A A H >> S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.973 113.6 51.0 -52.6 -49.7 44.8 8.1 23.9 42 42 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.867 107.8 49.8 -53.5 -45.6 45.3 4.5 22.6 43 43 A K H 3X S+ 0 0 59 -4,-1.8 4,-1.6 -5,-0.2 11,-0.3 0.835 110.4 51.2 -68.0 -27.2 46.8 3.3 25.8 44 44 A S H S+ 0 0 36 -4,-1.6 4,-2.5 2,-0.2 5,-0.7 0.852 112.6 53.3 -67.6 -31.0 43.1 -0.0 29.8 48 48 A K H <5S+ 0 0 143 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 110.5 47.2 -68.6 -42.3 39.4 0.9 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.863 120.9 35.9 -69.0 -33.9 38.8 -2.1 27.4 50 50 A I H <5S- 0 0 39 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.793 98.9-127.5 -92.6 -30.2 40.7 -4.6 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.5 2,-0.3 1,-0.4 -3,-0.2 0.664 78.6 79.4 90.1 15.2 39.9 -3.3 33.0 52 52 A R S - 0 0 8 -2,-0.9 3,-1.3 -11,-0.3 -1,-0.2 0.693 32.6-146.4-100.8 -25.1 48.2 -2.7 30.6 55 55 A N T 3 S- 0 0 128 1,-0.3 -2,-0.1 -12,-0.2 -11,-0.1 0.963 75.2 -51.4 55.6 53.1 50.8 -0.3 29.6 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.484 119.8 94.8 65.4 7.6 50.2 -1.2 25.9 57 57 A V B < +C 16 0B 61 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.980 45.6 178.1-135.2 139.5 50.6 -4.9 26.3 58 58 A I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.808 26.9-108.1-129.3 170.0 48.0 -7.7 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.496 33.3-105.6 -93.6 169.1 47.9 -11.5 27.1 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 122.6 53.6 -55.6 -46.3 46.7 -14.1 24.6 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.858 108.3 48.8 -55.5 -44.3 43.7 -14.6 26.8 62 62 A E H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 110.0 52.3 -65.7 -38.5 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -34,-0.4 0.882 111.2 46.6 -64.9 -43.1 43.2 -10.8 23.0 64 64 A E H X S+ 0 0 76 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.814 109.2 54.3 -68.9 -33.4 40.8 -13.7 22.6 65 65 A K H X S+ 0 0 136 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.962 110.1 46.2 -66.5 -46.0 38.4 -12.2 24.9 66 66 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.891 111.8 53.5 -59.0 -38.4 38.3 -9.0 22.9 67 67 A F H X S+ 0 0 12 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.928 105.8 52.2 -64.4 -45.9 38.0 -11.1 19.8 68 68 A N H X S+ 0 0 91 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.930 111.7 47.3 -56.9 -41.4 35.0 -12.9 21.2 69 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.904 111.2 50.2 -64.3 -44.2 33.3 -9.6 21.9 70 70 A D H X S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.846 110.2 47.9 -61.9 -42.5 34.0 -8.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.933 114.1 48.3 -63.9 -47.9 32.7 -11.1 16.5 72 72 A D H X S+ 0 0 88 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.923 112.0 48.9 -56.8 -47.8 29.5 -11.2 18.7 73 73 A A H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.909 109.9 52.7 -63.5 -39.1 29.0 -7.4 18.3 74 74 A A H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 112.0 44.6 -60.1 -51.5 29.6 -7.8 14.5 75 75 A V H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.947 115.8 46.5 -58.2 -49.5 26.9 -10.5 14.2 76 76 A R H X S+ 0 0 115 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.885 110.3 55.6 -61.5 -37.7 24.4 -8.6 16.4 77 77 A G H < S+ 0 0 2 -4,-2.5 3,-0.5 -5,-0.3 4,-0.3 0.936 107.5 46.3 -61.9 -46.5 25.1 -5.5 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 7,-0.4 0.908 111.5 53.7 -57.8 -43.0 24.2 -7.2 11.1 79 79 A L H 3< S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.724 110.8 45.8 -68.6 -22.3 21.0 -8.6 12.7 80 80 A R T 3< S+ 0 0 168 -4,-1.4 2,-0.5 -3,-0.5 -1,-0.3 0.266 93.0 96.2 -98.4 -0.9 19.9 -5.2 13.9 81 81 A N <> - 0 0 23 -3,-1.3 4,-2.5 -4,-0.3 3,-0.0 -0.873 65.1-148.1-103.5 129.0 20.6 -3.4 10.7 82 82 A A T 4 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.737 98.6 42.5 -63.9 -22.1 17.8 -2.9 8.2 83 83 A K T 4 S+ 0 0 137 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.822 120.3 37.4 -91.8 -35.6 20.1 -3.1 5.3 84 84 A L T > S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 3,-0.5 0.825 101.6 70.0 -86.9 -38.9 22.3 -6.0 6.3 85 85 A K H X S+ 0 0 77 -4,-2.5 4,-3.1 -7,-0.4 5,-0.2 0.903 98.9 48.2 -48.0 -50.3 19.8 -8.3 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.854 113.0 49.3 -64.7 -32.3 17.9 -9.2 4.8 87 87 A V H > S+ 0 0 2 -3,-0.5 4,-0.8 -4,-0.4 3,-0.3 0.946 111.5 48.1 -69.5 -47.5 21.1 -9.9 3.0 88 88 A Y H >< S+ 0 0 36 -4,-2.8 3,-1.6 1,-0.2 -3,-0.2 0.953 110.2 53.3 -55.6 -47.3 22.5 -12.0 5.8 89 89 A D H 3< S+ 0 0 78 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.6 53.4 -58.3 -32.8 19.2 -14.0 6.0 90 90 A S H 3< S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.2 0.607 95.3 88.4 -78.4 -16.7 19.3 -14.7 2.3 91 91 A L S << S- 0 0 5 -3,-1.6 31,-0.0 -4,-0.8 30,-0.0 -0.564 74.2-117.2 -91.5 159.6 22.8 -16.2 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.171 46.4 -90.5 -76.7 170.9 24.1 -19.7 2.9 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.820 121.8 45.9 -56.5 -39.9 26.5 -20.4 5.9 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.3 62,-0.2 3,-0.4 0.919 112.8 48.8 -71.3 -46.8 29.9 -19.7 4.2 95 95 A R H > S+ 0 0 24 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.839 104.3 61.3 -63.2 -33.5 28.8 -16.5 2.5 96 96 A R H X S+ 0 0 82 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.903 101.2 53.0 -57.5 -41.8 27.4 -15.4 5.8 97 97 A C H X S+ 0 0 19 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.879 105.2 56.1 -61.2 -37.2 31.0 -15.6 7.2 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.883 108.4 45.6 -61.0 -44.5 32.2 -13.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.888 111.2 53.1 -68.1 -38.2 29.7 -10.6 5.3 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 106.5 53.5 -62.6 -38.8 30.6 -11.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 108.6 48.6 -60.3 -48.6 34.3 -10.5 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.908 111.6 49.6 -57.8 -46.5 33.5 -7.3 6.0 103 103 A V H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.877 108.6 52.2 -63.8 -39.1 31.5 -5.9 8.9 104 104 A F H < S+ 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.925 117.9 38.8 -63.4 -41.0 34.3 -6.7 11.4 105 105 A Q H < S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.920 132.6 19.4 -74.1 -49.2 36.8 -4.8 9.2 106 106 A M H X S- 0 0 52 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.483 103.3-115.6-110.3 3.5 34.9 -1.8 8.0 107 107 A G H X - 0 0 33 -4,-1.8 4,-2.1 -5,-0.3 5,-0.3 0.204 34.2 -79.6 76.5 155.7 31.9 -1.4 10.4 108 108 A E H > S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.918 128.7 53.6 -52.9 -48.7 28.1 -1.8 9.8 109 109 A T H > S+ 0 0 125 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.904 107.6 48.8 -57.6 -45.9 28.0 1.6 8.3 110 110 A G H < S+ 0 0 31 -4,-0.6 3,-0.4 1,-0.2 -1,-0.2 0.918 114.7 42.9 -64.5 -46.1 30.7 1.1 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.2 -2,-0.2 0.894 105.9 62.7 -68.7 -38.0 29.3 -2.2 4.5 112 112 A A H 3< S+ 0 0 15 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.803 95.6 64.7 -57.8 -23.2 25.8 -0.9 4.5 113 113 A G T 3< S+ 0 0 54 -4,-1.0 2,-1.5 -3,-0.4 3,-0.3 0.578 75.5 86.8 -73.8 -12.5 27.1 1.6 1.9 114 114 A F <> + 0 0 41 -3,-2.5 4,-2.4 1,-0.2 3,-0.4 -0.219 56.9 160.0 -85.6 54.5 27.9 -1.1 -0.7 115 115 A T H > + 0 0 89 -2,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.825 66.6 42.7 -38.9 -58.2 24.3 -0.7 -1.9 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.850 114.0 50.3 -66.5 -39.0 24.7 -2.3 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.864 108.9 53.1 -66.2 -39.9 26.8 -5.2 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.894 108.4 51.2 -61.5 -40.2 24.3 -6.0 -1.4 119 119 A R H X S+ 0 0 115 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.948 110.1 48.9 -64.3 -47.0 21.6 -6.1 -4.0 120 120 A M H <>S+ 0 0 25 -4,-2.1 5,-2.6 1,-0.2 -1,-0.2 0.854 110.5 49.6 -63.5 -37.8 23.6 -8.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.9 3,-0.2 -1,-0.2 0.931 108.8 53.5 -67.9 -40.7 24.4 -10.8 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 110.2 47.0 -59.4 -33.0 20.8 -10.9 -2.4 123 123 A Q T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.423 113.4-122.2 -86.1 -2.1 19.9 -11.9 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.9 2,-1.1 -4,-0.2 -3,-0.2 0.811 59.4 150.4 61.1 37.1 22.6 -14.5 -5.8 125 125 A R >< + 0 0 123 -5,-2.6 4,-2.4 1,-0.2 -1,-0.2 -0.712 20.4 176.6 -98.7 76.1 24.4 -13.0 -8.9 126 126 A W H > + 0 0 49 -2,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.864 69.3 42.5 -49.6 -55.6 27.8 -14.2 -7.7 127 127 A D H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 114.8 50.9 -63.8 -42.0 30.1 -13.2 -10.4 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 110.2 48.9 -65.6 -42.0 28.5 -9.8 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.839 108.0 54.4 -62.4 -39.5 28.7 -9.0 -7.2 130 130 A A H X S+ 0 0 10 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.895 110.1 47.9 -60.3 -43.2 32.5 -10.1 -7.1 131 131 A V H < S+ 0 0 90 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.921 114.6 45.0 -65.9 -43.4 33.2 -7.7 -9.9 132 132 A N H >< S+ 0 0 43 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.902 107.9 56.5 -67.4 -43.1 31.3 -4.8 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.3 1,-0.2 -1,-0.2 0.810 99.9 62.0 -56.8 -32.4 32.8 -5.4 -4.8 134 134 A A T 3< S+ 0 0 28 -4,-1.1 2,-1.4 -3,-0.4 -1,-0.2 0.656 86.2 79.1 -71.1 -15.8 36.4 -5.0 -6.4 135 135 A K S < S+ 0 0 153 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.506 79.5 94.9 -92.0 68.6 35.5 -1.4 -7.4 136 136 A S S > S- 0 0 18 -2,-1.4 4,-2.0 1,-0.1 3,-0.3 -0.995 85.1-115.8-154.4 155.3 36.1 0.1 -4.0 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.910 114.8 64.0 -57.6 -41.4 38.7 1.8 -2.0 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.904 104.7 43.7 -44.8 -53.6 38.6 -1.4 0.3 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.889 114.6 49.3 -63.2 -46.0 39.9 -3.6 -2.5 140 140 A N H < S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 115.2 43.7 -65.2 -36.2 42.5 -1.1 -3.6 141 141 A Q H < S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 131.5 18.7 -77.6 -42.7 43.8 -0.6 -0.1 142 142 A T S X S+ 0 0 23 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 -0.550 73.8 163.4-128.6 69.2 43.9 -4.2 1.1 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.831 70.4 50.4 -60.4 -42.2 43.8 -6.3 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.905 116.9 41.1 -66.1 -41.8 44.9 -9.7 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.921 115.4 50.6 -69.1 -45.1 42.4 -9.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -8,-0.2 5,-0.3 0.940 109.4 53.0 -56.3 -44.8 39.6 -8.2 -0.2 147 147 A K H X S+ 0 0 89 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.876 106.3 51.9 -57.3 -40.4 40.4 -11.0 -2.8 148 148 A R H X S+ 0 0 53 -4,-1.5 4,-1.6 2,-0.2 12,-0.2 0.942 114.2 42.7 -62.6 -44.4 40.0 -13.7 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.912 113.5 51.3 -66.3 -46.3 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.895 108.8 51.1 -58.4 -45.0 35.4 -11.7 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.7 -5,-0.3 6,-0.3 0.873 107.3 55.3 -60.5 -38.3 36.4 -15.3 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.893 110.7 43.5 -61.3 -41.6 34.4 -16.5 -0.7 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.867 114.8 52.1 -71.8 -34.9 31.3 -14.7 -1.9 154 154 A R H < S+ 0 0 104 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.941 124.4 21.2 -64.2 -50.2 31.9 -15.9 -5.4 155 155 A T H < S- 0 0 46 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.694 84.6-133.8 -96.8 -29.6 32.3 -19.5 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.722 74.6 100.1 77.0 19.3 30.5 -20.3 -1.5 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.798 81.2-117.8-130.3 171.6 33.6 -22.3 -0.4 158 158 A W S >> S+ 0 0 30 -2,-0.2 3,-1.6 1,-0.2 4,-0.7 0.069 71.4 122.7 -96.6 18.3 36.6 -21.8 1.8 159 159 A D G >4 + 0 0 100 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.821 66.0 58.8 -49.7 -39.4 39.1 -22.3 -1.0 160 160 A A G 34 S+ 0 0 14 -3,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.716 113.3 39.2 -67.7 -16.8 40.8 -18.9 -0.5 161 161 A Y G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.430 93.6 82.3-109.0 -4.6 41.7 -19.7 3.0 162 162 A K S << S+ 0 0 135 -3,-0.9 -2,-0.1 -4,-0.7 -3,-0.1 0.630 92.5 53.7 -79.8 -7.1 42.6 -23.4 2.5 163 163 A N 0 0 132 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.910 360.0 360.0 -76.8 -51.2 45.9 -22.2 1.4 164 164 A L 0 0 116 -4,-0.3 -2,-0.2 0, 0.0 -1,-0.1 0.553 360.0 360.0 -81.6 360.0 46.7 -20.1 4.4