==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1C6J . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 11 6.8 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 69 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.5 43.4 -1.9 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.9 1,-0.0 5,-0.2 -0.940 360.0 -81.4-158.7 175.5 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.863 125.0 50.4 -53.5 -43.6 38.0 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 113.5 43.3 -62.8 -51.1 40.2 3.6 14.2 5 5 A E H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.875 113.7 54.4 -64.7 -35.0 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.943 112.3 39.6 -62.8 -49.0 41.8 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.850 108.8 62.1 -72.4 -29.6 40.6 7.9 10.9 8 8 A R H X S+ 0 0 106 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.892 108.1 45.1 -61.3 -32.5 43.7 8.2 12.9 9 9 A I H < S+ 0 0 84 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.941 116.4 44.1 -74.5 -44.5 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.834 124.4 32.2 -72.4 -28.1 43.2 11.0 8.1 11 11 A E H < S- 0 0 47 -4,-2.8 19,-0.4 1,-0.2 -1,-0.2 0.647 91.5-151.4-101.9 -22.9 42.8 13.2 11.1 12 12 A G < - 0 0 23 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.2 -0.245 23.5 -89.5 75.9-171.5 46.1 13.1 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.969 42.5 172.4-143.8 119.9 46.6 13.6 16.6 14 14 A R E -A 28 0A 149 14,-1.1 14,-2.5 -2,-0.4 4,-0.1 -0.987 19.1-161.6-132.5 124.4 47.2 17.0 18.2 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.369 75.2 60.0 -88.0 -3.4 47.3 17.5 22.0 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.939 101.9 -86.6-122.9 150.4 46.7 21.2 21.9 17 17 A I E + 0 0 29 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.257 57.1 168.7 -53.5 138.0 43.7 23.1 20.4 18 18 A Y E -A 26 0A 25 8,-3.3 8,-3.4 -4,-0.1 2,-0.5 -0.849 36.5-103.7-143.4 172.3 44.2 23.8 16.7 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.872 34.7-138.4-102.1 137.6 42.1 24.9 13.8 20 20 A D > - 0 0 46 4,-3.1 3,-1.8 -2,-0.5 -1,-0.1 -0.011 41.0 -76.0 -79.7-166.4 41.0 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 0.733 135.0 49.0 -64.9 -22.7 40.9 22.7 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.442 122.7-104.8 -92.9 -2.8 37.7 24.8 7.9 23 23 A G S < S+ 0 0 39 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.545 75.4 139.4 88.2 16.5 39.4 27.2 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-3.1 9,-0.0 -1,-0.3 -0.756 61.4-100.9 -99.3 144.4 37.4 25.7 13.4 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.2 11,-0.4 9,-1.4 -0.403 54.1 159.9 -62.2 124.5 38.7 24.9 16.8 26 26 A T E -AB 18 32A 4 -8,-3.4 -8,-3.3 6,-0.3 2,-0.3 -0.892 19.6-166.8-137.2 167.2 39.6 21.3 17.2 27 27 A I E > - B 0 31A 0 4,-1.5 4,-2.2 -2,-0.3 2,-0.2 -0.978 52.6 -0.5-150.0 164.0 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.1 -2,-0.3 2,-1.0 -0.368 122.3 -3.6 67.2-134.0 42.9 15.5 19.5 29 29 A I T 4 S- 0 0 4 34,-0.3 -1,-0.2 -16,-0.2 -17,-0.1 -0.657 128.3 -54.3 -96.9 70.6 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.784 83.1 161.6 68.8 26.0 39.7 15.5 14.8 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-1.5 2,-0.0 -1,-0.2 -0.676 31.9-144.0 -83.5 107.9 37.4 16.3 17.7 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.399 18.9-177.2 -67.1 128.3 35.6 19.6 16.7 33 33 A L E - 0 0 14 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.857 58.1 -25.3 -93.7 -42.8 35.1 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.944 36.1-136.7-166.8 150.0 33.2 24.7 18.3 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.0 -11,-0.2 -3,-0.0 0.427 74.2 112.9 -92.3 2.0 32.5 26.6 15.2 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.492 72.4-133.4 -76.2 142.8 32.8 29.8 17.1 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.520 77.1 104.0 -72.4 -2.8 35.7 32.1 16.4 38 38 A S > - 0 0 48 1,-0.2 4,-2.4 2,-0.0 5,-0.1 -0.688 56.0-161.7 -88.7 121.8 36.4 32.4 20.1 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.870 95.4 56.1 -65.5 -32.5 39.3 30.6 21.6 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.923 104.4 50.8 -67.2 -41.0 37.7 31.0 25.0 41 41 A A H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.964 111.0 50.3 -58.6 -44.3 34.6 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.897 109.6 50.0 -56.2 -45.3 36.8 26.5 22.5 43 43 A K H X S+ 0 0 68 -4,-2.7 4,-2.3 2,-0.2 11,-0.3 0.885 110.7 52.1 -62.3 -37.7 38.6 26.3 25.9 44 44 A S H X S+ 0 0 72 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 110.9 44.4 -64.0 -52.2 35.1 26.2 27.6 45 45 A E H X S+ 0 0 65 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.923 111.5 55.0 -61.8 -45.5 33.8 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 5,-0.3 0.957 108.7 47.1 -55.2 -48.5 37.1 21.4 25.9 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-2.9 1,-0.2 5,-1.4 0.883 112.4 50.0 -58.8 -40.2 37.0 21.6 29.7 48 48 A K H <5S+ 0 0 143 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.875 111.6 48.7 -64.0 -41.6 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.866 120.9 36.1 -67.7 -35.9 34.2 17.5 27.3 50 50 A I H <5S- 0 0 38 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.748 102.1-126.8 -89.6 -34.8 37.1 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.764 76.7 67.1 94.5 24.1 35.8 17.1 32.9 52 52 A R S - 0 0 6 -2,-0.9 3,-1.5 -11,-0.3 -1,-0.2 0.681 33.3-140.1 -97.5 -14.5 42.6 21.7 30.9 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.808 71.1 -59.7 64.1 24.3 44.0 25.0 29.9 56 56 A G T 3 S+ 0 0 6 1,-0.2 -39,-1.6 -13,-0.2 2,-0.4 0.527 117.4 99.5 80.7 5.7 43.8 23.9 26.2 57 57 A V B < +C 16 0B 51 -3,-1.5 2,-0.3 -41,-0.2 -1,-0.2 -0.968 46.8 179.4-126.5 141.4 46.0 21.0 26.5 58 58 A I - 0 0 6 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.891 25.6-109.4-133.8 165.7 45.1 17.2 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.512 32.7-105.6 -92.1 171.6 46.8 13.9 27.3 60 60 A K H > S+ 0 0 114 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.838 121.2 50.6 -58.5 -42.6 47.1 11.1 24.8 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.892 108.2 50.4 -63.2 -42.8 44.7 9.1 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.896 110.2 51.7 -63.7 -41.4 42.1 11.8 26.9 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -34,-0.3 0.913 110.4 48.5 -58.8 -44.7 42.4 12.3 23.1 64 64 A E H X S+ 0 0 72 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.884 108.4 55.1 -66.1 -35.2 41.8 8.6 22.6 65 65 A K H X S+ 0 0 139 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.941 108.8 46.1 -62.6 -47.7 38.8 8.7 24.9 66 66 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.907 111.6 54.4 -58.7 -42.2 37.2 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.916 106.8 48.7 -61.7 -45.2 38.0 9.6 19.7 68 68 A N H X S+ 0 0 85 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.937 112.7 48.5 -60.1 -43.5 36.3 6.4 20.9 69 69 A Q H X S+ 0 0 102 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.906 112.1 50.9 -60.7 -40.2 33.2 8.4 21.9 70 70 A D H X S+ 0 0 37 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.886 110.1 47.4 -67.6 -38.2 33.3 10.1 18.5 71 71 A V H X S+ 0 0 7 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.949 112.8 49.7 -67.0 -45.0 33.5 6.9 16.5 72 72 A D H X S+ 0 0 95 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.946 111.6 48.5 -57.0 -44.4 30.7 5.4 18.6 73 73 A A H X S+ 0 0 59 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.888 108.3 54.3 -63.6 -37.4 28.5 8.4 18.1 74 74 A A H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.943 110.9 45.8 -64.3 -45.5 29.2 8.4 14.3 75 75 A V H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.942 112.9 49.4 -60.9 -50.5 28.0 4.7 14.1 76 76 A R H X S+ 0 0 115 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.903 107.3 56.1 -58.5 -37.2 25.0 5.4 16.2 77 77 A G H X S+ 0 0 11 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.938 108.7 46.6 -60.5 -44.7 24.2 8.4 14.0 78 78 A I H >< S+ 0 0 3 -4,-2.1 3,-1.1 2,-0.2 7,-0.4 0.947 111.5 50.9 -57.3 -52.4 24.1 6.3 10.8 79 79 A L H 3< S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 112.7 47.6 -61.7 -28.0 22.0 3.5 12.4 80 80 A R H 3< S+ 0 0 176 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.581 92.8 92.0 -90.0 -10.7 19.5 6.1 13.6 81 81 A N S+ 0 0 154 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.777 121.6 39.6 -85.1 -29.4 18.4 7.6 4.7 84 84 A L H > S+ 0 0 9 -7,-0.1 4,-2.3 -6,-0.1 3,-0.3 0.871 99.4 67.6 -86.8 -41.2 21.7 6.2 5.9 85 85 A K H X S+ 0 0 88 -4,-3.2 4,-2.8 -7,-0.4 5,-0.2 0.934 98.4 51.7 -50.4 -48.2 20.9 3.0 7.7 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.885 112.0 47.5 -60.3 -34.8 19.8 1.0 4.7 87 87 A V H X S+ 0 0 8 -4,-0.5 4,-0.8 -3,-0.3 3,-0.2 0.936 112.2 47.6 -69.5 -49.0 22.8 1.9 2.7 88 88 A Y H >< S+ 0 0 30 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.905 109.7 53.2 -60.8 -41.2 25.2 1.1 5.5 89 89 A D H 3< S+ 0 0 68 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.845 105.1 55.7 -66.9 -25.9 23.5 -2.2 6.2 90 90 A S H 3< S+ 0 0 38 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.653 95.9 90.3 -76.0 -13.4 23.8 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-0.8 2,-0.1 -4,-0.8 31,-0.0 -0.554 76.9-117.0 -86.3 155.4 27.6 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.3 1,-0.1 -1,-0.1 -0.239 44.3 -92.4 -75.3 168.4 30.5 -5.0 3.3 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.852 122.1 48.5 -54.4 -45.4 32.7 -4.3 6.3 94 94 A V H >> S+ 0 0 27 2,-0.2 4,-1.7 1,-0.2 3,-0.8 0.957 112.0 47.7 -63.3 -51.7 35.4 -2.2 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.855 105.9 60.2 -61.7 -32.9 32.9 -0.0 2.7 96 96 A R H 3X S+ 0 0 80 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.880 100.7 54.5 -60.6 -33.4 31.2 0.5 6.0 97 97 A A H S+ 0 0 66 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.875 128.3 53.6 -58.1 -40.4 25.2 12.7 9.3 109 109 A T H > S+ 0 0 111 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.930 107.1 50.8 -57.8 -52.7 23.3 15.5 7.8 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.7 1,-0.2 -2,-0.2 0.915 114.5 43.3 -53.9 -54.4 26.0 16.3 5.4 111 111 A V H >< S+ 0 0 9 -4,-2.3 3,-2.6 1,-0.3 -1,-0.2 0.899 105.3 61.6 -62.7 -40.0 26.3 12.7 4.3 112 112 A A H 3< S+ 0 0 23 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.795 94.7 67.2 -61.4 -18.2 22.6 12.2 4.1 113 113 A G T << S+ 0 0 55 -4,-1.1 2,-1.8 -3,-0.7 -1,-0.3 0.660 74.9 86.8 -76.0 -11.0 22.7 14.9 1.5 114 114 A F <> + 0 0 39 -3,-2.6 4,-2.7 1,-0.2 5,-0.3 -0.366 54.4 157.1 -86.7 63.5 24.6 12.7 -1.0 115 115 A T H > + 0 0 82 -2,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.873 66.0 45.8 -52.3 -54.0 21.4 11.3 -2.4 116 116 A N H > S+ 0 0 79 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.865 114.9 47.1 -62.5 -40.8 22.5 10.2 -5.7 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.891 107.7 56.9 -69.0 -39.7 25.7 8.6 -4.4 118 118 A L H X S+ 0 0 22 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.899 107.8 48.9 -55.7 -42.9 23.9 6.8 -1.6 119 119 A R H X S+ 0 0 116 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.935 110.3 48.9 -66.1 -44.8 21.7 5.2 -4.2 120 120 A M H <>S+ 0 0 20 -4,-1.9 5,-2.4 2,-0.2 4,-0.4 0.889 111.5 50.9 -61.4 -40.5 24.6 4.1 -6.4 121 121 A L H ><5S+ 0 0 6 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.925 108.8 51.4 -61.5 -45.4 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.877 110.9 48.0 -60.0 -34.2 23.2 0.8 -2.4 123 123 A Q T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.469 113.6-119.8 -83.8 -4.4 23.0 -0.6 -6.0 124 124 A K T < 5 + 0 0 101 -3,-1.3 2,-1.2 -4,-0.4 -3,-0.2 0.805 63.6 146.3 72.0 29.4 26.7 -1.6 -5.8 125 125 A R >< + 0 0 107 -5,-2.4 4,-2.7 1,-0.2 5,-0.2 -0.652 20.2 171.7 -97.1 73.6 27.6 0.6 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-1.9 1,-0.2 5,-0.2 0.874 69.3 44.9 -55.9 -53.3 31.1 1.4 -7.4 127 127 A D H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 115.7 48.4 -61.9 -42.6 32.7 3.2 -10.3 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.894 111.6 49.6 -64.9 -40.7 29.6 5.3 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.875 108.3 54.1 -66.1 -33.8 29.3 6.2 -7.2 130 130 A A H X S+ 0 0 9 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.895 107.7 49.3 -69.5 -37.3 33.0 7.2 -7.1 131 131 A V H X S+ 0 0 97 -4,-1.8 4,-0.7 -5,-0.2 3,-0.4 0.943 113.4 46.1 -66.6 -42.6 32.6 9.5 -9.9 132 132 A N H >< S+ 0 0 36 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.923 107.6 57.6 -66.3 -39.2 29.5 11.1 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-3.0 6,-0.3 1,-0.3 -1,-0.2 0.824 100.5 57.7 -60.0 -30.3 31.1 11.4 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-1.9 -3,-0.4 -1,-0.3 0.675 85.6 82.1 -75.2 -18.8 33.9 13.4 -6.5 135 135 A K S << S+ 0 0 158 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.472 79.9 96.2 -83.2 68.3 31.5 16.0 -7.7 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.997 85.2-115.6-154.9 156.1 31.3 17.8 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.903 114.2 63.5 -59.6 -38.0 32.6 20.6 -2.4 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.950 104.9 43.9 -50.4 -48.4 34.1 17.9 -0.0 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 114.4 49.2 -67.5 -42.0 36.4 16.5 -2.7 140 140 A N H < S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.9 43.8 -69.5 -31.2 37.5 19.9 -3.9 141 141 A Q H < S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.821 132.4 16.6 -80.2 -40.1 38.3 21.1 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 -0.600 75.2 162.5-130.7 69.8 40.1 18.0 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.875 68.5 51.6 -62.2 -39.7 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.948 115.8 40.6 -67.5 -40.2 43.7 13.8 -0.9 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.916 115.3 52.6 -68.5 -44.3 41.6 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.911 106.8 53.6 -57.9 -42.7 38.5 12.4 -0.3 147 147 A K H X S+ 0 0 98 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.890 107.3 51.3 -60.6 -39.3 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.6 4,-1.3 2,-0.2 12,-0.2 0.924 113.8 42.8 -63.9 -42.9 41.4 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.919 113.9 51.3 -69.1 -44.5 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.884 108.2 51.5 -58.4 -42.5 36.4 7.2 -2.5 151 151 A T H X S+ 0 0 51 -4,-2.4 4,-2.4 -5,-0.2 6,-0.3 0.857 106.9 55.7 -63.6 -31.8 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.905 111.0 42.8 -66.9 -44.6 37.8 2.6 -0.5 153 153 A F H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.885 114.9 52.5 -69.5 -35.6 34.2 2.6 -1.7 154 154 A R H < S+ 0 0 111 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.920 125.4 19.3 -64.2 -45.5 35.3 1.9 -5.1 155 155 A T H < S- 0 0 48 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.581 85.2-134.8-100.0 -23.8 37.4 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.708 72.8 104.5 68.1 22.2 36.3 -2.4 -1.1 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.795 78.7-121.2-124.5 168.1 39.9 -2.9 -0.1 158 158 A W S >> S+ 0 0 35 -2,-0.3 3,-2.1 1,-0.2 4,-0.6 0.184 72.5 120.9 -93.3 20.1 42.3 -0.8 2.2 159 159 A D G >4 + 0 0 104 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.791 65.3 58.7 -55.4 -31.8 44.8 -0.2 -0.5 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.676 111.0 44.8 -72.2 -16.6 44.5 3.6 -0.4 161 161 A Y G <4 0 0 20 -3,-2.1 -1,-0.2 -13,-0.1 -2,-0.2 0.525 360.0 360.0-106.9 -1.0 45.7 3.4 3.3 162 162 A K << 0 0 173 -3,-0.7 -2,-0.1 -4,-0.6 -3,-0.1 0.800 360.0 360.0 -98.8 360.0 48.4 0.9 2.7