==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-99 1QT4 . COMPND 2 MOLECULE: PROTEIN (T4 LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.KUROKI,L.H.WEAVER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 86 52.4 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.1 43.6 -1.9 8.9 2 2 A N > - 0 0 68 95,-0.0 4,-2.9 92,-0.0 5,-0.2 -0.871 360.0 -85.7-151.9 173.5 40.4 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.836 125.0 51.1 -57.5 -39.9 38.3 2.4 11.2 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 114.0 42.3 -65.8 -50.3 40.5 3.6 14.0 5 5 A E H > S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.886 115.4 53.3 -64.3 -38.9 43.7 3.2 12.1 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.914 113.4 39.1 -61.7 -52.2 42.0 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.4 0.797 108.3 62.3 -72.2 -23.6 40.7 7.8 10.7 8 8 A R H X S+ 0 0 105 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.917 107.8 46.7 -63.9 -37.7 43.9 8.3 12.8 9 9 A I H < S+ 0 0 48 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.953 115.8 43.0 -64.9 -53.3 45.7 8.6 9.4 10 10 A D H < S+ 0 0 20 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 124.3 32.5 -65.8 -37.4 43.2 11.0 7.9 11 11 A E H < S- 0 0 34 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.698 92.9-151.7 -95.7 -22.4 42.7 13.3 11.0 12 12 A G < - 0 0 21 -4,-1.7 2,-0.3 -5,-0.4 -1,-0.2 -0.258 21.9 -84.9 78.1-170.8 46.1 13.2 12.6 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.971 43.4 172.6-139.8 121.6 46.7 13.7 16.3 14 14 A R E -A 28 0A 126 14,-1.8 14,-2.5 -2,-0.3 4,-0.1 -0.973 23.0-163.3-142.2 125.6 47.2 17.0 18.1 15 15 A L E S+ 0 0 54 -2,-0.4 43,-1.8 12,-0.2 2,-0.3 0.405 75.4 58.5 -77.8 -6.7 47.5 17.8 21.7 16 16 A K E S-C 57 0B 114 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.908 96.8 -90.1-127.0 154.6 46.7 21.6 21.5 17 17 A I E + 0 0 23 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.170 56.7 167.4 -57.6 155.9 43.7 23.3 20.2 18 18 A Y E -A 26 0A 26 8,-2.3 8,-3.2 6,-0.1 2,-0.4 -0.986 36.9 -94.8-164.6 165.5 44.0 24.1 16.6 19 19 A K E -A 25 0A 112 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.706 32.8-141.3 -93.9 139.4 42.1 25.1 13.6 20 20 A D > - 0 0 36 4,-2.9 3,-1.3 -2,-0.4 -1,-0.1 -0.105 44.6 -81.8 -78.0-170.3 40.7 22.6 11.2 21 21 A T T 3 S+ 0 0 99 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.576 132.5 52.5 -72.9 -11.0 40.8 23.2 7.5 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.131 125.9 -99.6-104.3 12.5 37.5 25.4 7.7 23 23 A G S < S+ 0 0 30 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.459 78.7 141.5 78.9 12.3 39.1 27.5 10.4 24 24 A Y - 0 0 76 1,-0.1 -4,-2.9 -5,-0.1 2,-0.5 -0.437 56.9-102.0 -88.5 159.6 37.3 25.7 13.3 25 25 A Y E +AB 19 34A 32 9,-1.8 8,-3.5 11,-0.3 9,-1.4 -0.566 53.5 147.5 -80.9 125.9 38.4 24.8 16.6 26 26 A Q E -AB 18 32A 18 -8,-3.2 -8,-2.3 -2,-0.5 2,-0.2 -0.863 18.3-178.2-142.0-178.3 39.4 21.2 17.1 27 27 A I E > + B 0 31A 0 4,-1.0 4,-2.1 -2,-0.3 -12,-0.2 -0.960 50.7 22.2-168.5 175.0 41.8 19.1 19.0 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.8 -2,-0.2 2,-0.7 -0.399 121.0 -13.5 64.9-131.5 42.8 15.4 19.4 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.688 127.9 -47.5-110.6 74.0 41.9 13.1 16.5 30 30 A G T 4 S+ 0 0 9 -2,-0.7 2,-0.9 -19,-0.4 -2,-0.2 0.704 86.1 163.3 72.2 21.8 39.6 15.2 14.6 31 31 A H E < -B 27 0A 30 -4,-2.1 -4,-1.0 1,-0.1 2,-0.2 -0.548 31.8-140.9 -80.7 108.8 37.5 16.3 17.6 32 32 A L E +B 26 0A 72 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.411 24.7 175.3 -66.5 127.6 35.4 19.2 16.7 33 33 A L E - 0 0 14 -8,-3.5 2,-0.3 1,-0.3 -7,-0.2 0.888 57.9 -17.1 -98.5 -49.5 35.2 21.7 19.4 34 34 A T E -B 25 0A 25 -9,-1.4 -9,-1.8 2,-0.1 -1,-0.3 -0.928 34.2-145.5-164.6 139.9 33.3 24.6 18.1 35 35 A K S S+ 0 0 154 -2,-0.3 -9,-0.0 -11,-0.2 -11,-0.0 0.061 77.7 103.8 -86.0 16.3 32.2 26.2 14.9 36 36 A S S S- 0 0 43 2,-0.1 -11,-0.3 -11,-0.1 6,-0.1 -0.809 78.5-125.3-113.2 153.6 32.7 29.5 16.6 37 37 A P S S+ 0 0 115 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.513 74.9 104.3 -64.2 -10.4 35.4 32.0 16.4 38 38 A S > - 0 0 48 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.689 50.2-165.3 -91.3 123.7 36.3 32.1 20.1 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.782 100.4 52.0 -65.2 -22.1 39.4 30.5 21.4 40 40 A N H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 104.6 51.8 -80.1 -41.2 37.7 31.1 24.6 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.866 112.4 49.7 -58.5 -35.4 34.6 29.4 23.6 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.823 107.7 51.2 -73.4 -36.5 36.8 26.5 22.4 43 43 A K H X S+ 0 0 56 -4,-1.8 4,-2.0 -5,-0.2 11,-0.2 0.871 111.2 50.2 -70.5 -28.2 38.6 26.3 25.7 44 44 A S H X S+ 0 0 74 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.968 111.4 46.7 -69.2 -52.0 35.3 26.2 27.4 45 45 A E H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.937 112.2 53.2 -55.6 -47.8 34.0 23.5 25.2 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.908 107.9 47.0 -57.8 -43.2 37.2 21.6 25.7 47 47 A D H X>S+ 0 0 28 -4,-2.0 4,-3.2 1,-0.2 5,-1.4 0.895 111.6 51.5 -66.9 -36.3 37.2 21.7 29.5 48 48 A K H <5S+ 0 0 141 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.830 112.2 47.9 -65.6 -33.8 33.6 20.6 29.5 49 49 A A H <5S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.896 120.8 36.3 -72.6 -41.5 34.5 17.7 27.2 50 50 A I H <5S- 0 0 33 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.792 101.0-131.4 -85.2 -30.1 37.4 16.7 29.3 51 51 A G T <5S+ 0 0 66 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.785 75.1 72.9 84.9 25.1 36.0 17.4 32.6 52 52 A R S - 0 0 61 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.402 32.8-108.4 -87.4 165.6 47.0 14.2 27.0 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 123.2 54.7 -57.6 -44.6 47.2 11.4 24.4 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.886 108.6 48.0 -58.0 -45.6 45.1 9.4 26.7 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.886 110.3 50.5 -63.3 -46.6 42.5 12.2 26.7 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.834 110.6 50.6 -60.2 -37.8 42.5 12.6 22.9 64 64 A E H X S+ 0 0 82 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.829 105.4 55.4 -73.0 -30.7 42.0 8.9 22.5 65 65 A K H X S+ 0 0 140 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.948 109.9 45.6 -67.6 -42.8 39.1 8.9 24.9 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.936 111.3 55.7 -61.5 -40.8 37.4 11.6 22.8 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.941 107.6 46.2 -54.7 -51.0 38.3 9.5 19.7 68 68 A N H X S+ 0 0 94 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.922 113.4 49.7 -59.8 -45.7 36.6 6.4 21.0 69 69 A Q H X S+ 0 0 101 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.939 112.2 48.4 -61.6 -42.9 33.5 8.3 22.0 70 70 A D H X S+ 0 0 35 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.862 110.0 49.2 -66.6 -38.0 33.4 10.0 18.5 71 71 A V H X S+ 0 0 8 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.945 112.5 50.5 -67.6 -43.3 33.7 6.8 16.5 72 72 A D H X S+ 0 0 104 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.954 109.9 48.7 -57.8 -48.9 31.0 5.2 18.6 73 73 A A H X S+ 0 0 59 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.884 108.9 53.6 -60.2 -35.2 28.7 8.1 18.0 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.965 109.7 48.2 -63.5 -50.3 29.3 8.1 14.2 75 75 A V H X S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.935 113.9 46.0 -55.9 -48.3 28.4 4.5 14.1 76 76 A R H X S+ 0 0 121 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.867 109.2 55.6 -65.6 -36.4 25.2 5.0 16.1 77 77 A G H X S+ 0 0 11 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.961 108.7 47.2 -62.4 -44.9 24.3 8.1 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 7,-0.4 0.958 111.9 51.3 -57.6 -49.7 24.4 6.0 10.9 79 79 A L H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 113.8 43.5 -58.0 -35.8 22.3 3.2 12.5 80 80 A R H 3< S+ 0 0 183 -4,-2.2 2,-0.5 -5,-0.1 -1,-0.3 0.635 93.7 99.4 -83.6 -18.8 19.7 5.7 13.7 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 3,-0.5 0.858 99.3 71.0 -84.4 -36.4 22.1 6.0 6.1 85 85 A K H 3X S+ 0 0 84 -4,-3.3 4,-2.7 -7,-0.4 5,-0.2 0.836 97.0 47.2 -47.5 -51.7 21.2 2.8 7.7 86 86 A P H 3> S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.788 112.8 51.9 -67.1 -29.2 20.1 0.8 4.7 87 87 A V H <> S+ 0 0 1 -3,-0.5 4,-0.8 -4,-0.4 3,-0.4 0.959 111.9 45.1 -69.4 -51.3 23.2 1.9 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.891 110.5 53.9 -57.6 -43.1 25.4 0.8 5.6 89 89 A D H 3< S+ 0 0 74 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.817 106.8 53.5 -65.3 -28.5 23.6 -2.5 6.0 90 90 A S H 3< S+ 0 0 37 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.646 96.0 86.2 -82.5 -11.0 24.1 -3.2 2.3 91 91 A L S << S- 0 0 6 -3,-0.9 31,-0.0 -4,-0.8 2,-0.0 -0.498 75.3-114.4 -90.1 163.7 27.9 -2.8 2.3 92 92 A D > - 0 0 54 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.221 45.5 -88.4 -80.3 174.6 30.8 -5.1 3.0 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.841 122.3 44.5 -59.2 -37.7 33.2 -4.5 6.0 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.5 1,-0.2 3,-0.3 0.916 112.8 50.0 -74.6 -43.7 35.7 -2.2 4.2 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.831 104.5 58.7 -66.5 -26.0 33.2 -0.1 2.6 96 96 A R H X S+ 0 0 74 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.899 102.7 55.2 -67.0 -35.1 31.3 0.4 5.8 97 97 A A H X S+ 0 0 8 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.894 103.7 53.9 -63.0 -37.0 34.5 1.9 7.2 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.897 108.9 49.0 -66.1 -36.9 34.5 4.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.874 110.6 49.9 -66.4 -41.3 30.9 5.5 5.2 100 100 A I H X S+ 0 0 10 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.899 107.4 56.5 -64.4 -40.6 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.951 108.3 44.5 -55.8 -50.9 34.8 8.0 7.9 102 102 A M H X S+ 0 0 3 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.893 113.9 52.0 -62.0 -38.8 32.6 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.909 107.8 50.3 -64.7 -39.5 30.2 10.6 8.8 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.962 115.6 44.3 -62.1 -43.4 32.9 11.3 11.3 105 105 A Q H < S+ 0 0 60 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.888 131.9 14.0 -70.6 -43.5 34.2 14.1 9.1 106 106 A M H X S- 0 0 57 -4,-3.1 4,-0.7 -5,-0.2 -3,-0.2 0.495 101.7-109.0-124.0 6.8 31.0 15.8 8.2 107 107 A G H X - 0 0 31 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.211 34.8 -82.7 83.3 152.2 28.2 14.6 10.3 108 108 A E H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.816 127.5 54.9 -56.3 -39.2 25.2 12.4 9.6 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.925 107.0 48.4 -63.0 -49.4 23.3 15.3 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.6 1,-0.2 -2,-0.2 0.908 115.6 44.4 -59.3 -48.2 26.1 16.2 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.928 103.7 62.2 -66.1 -43.9 26.4 12.6 4.4 112 112 A A H 3< S+ 0 0 16 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.803 95.5 66.5 -54.7 -18.8 22.7 12.0 4.3 113 113 A G T << S+ 0 0 53 -4,-0.8 2,-1.1 -3,-0.6 3,-0.3 0.665 74.4 84.8 -79.7 -7.7 22.7 14.8 1.6 114 114 A F <> + 0 0 41 -3,-2.7 4,-2.7 1,-0.2 3,-0.5 -0.215 56.2 156.6 -86.4 47.3 24.7 12.7 -0.9 115 115 A T H > + 0 0 73 -2,-1.1 4,-1.7 1,-0.3 -1,-0.2 0.828 65.6 45.8 -41.8 -48.1 21.5 11.3 -2.0 116 116 A N H > S+ 0 0 104 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.903 114.1 45.6 -71.6 -39.3 22.6 10.3 -5.4 117 117 A S H > S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.823 110.2 56.3 -70.9 -32.3 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.913 105.8 51.2 -63.3 -40.7 24.1 6.9 -1.6 119 119 A R H X S+ 0 0 157 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.920 111.6 46.9 -63.9 -43.0 21.8 5.4 -4.2 120 120 A M H <>S+ 0 0 34 -4,-1.8 5,-2.4 1,-0.2 4,-0.3 0.853 110.5 51.7 -69.6 -35.3 24.6 4.2 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.909 109.3 50.7 -65.2 -39.6 26.5 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.886 110.9 49.2 -64.8 -33.5 23.4 0.9 -2.4 123 123 A Q T 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.425 112.2-121.2 -83.6 -1.1 23.1 -0.4 -6.0 124 124 A K T < 5 + 0 0 102 -3,-1.4 2,-1.5 -4,-0.3 -3,-0.2 0.744 61.4 148.7 63.8 29.6 26.8 -1.5 -6.0 125 125 A R >< + 0 0 108 -5,-2.4 4,-2.4 1,-0.2 5,-0.3 -0.640 22.1 176.3 -91.8 74.6 27.6 0.8 -8.9 126 126 A W H > + 0 0 50 -2,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.857 68.0 40.8 -49.0 -55.9 31.1 1.4 -7.7 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 114.5 52.6 -71.4 -30.0 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.907 108.9 48.3 -76.8 -33.1 29.7 5.5 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 -1,-0.2 0.877 107.7 58.2 -69.1 -30.8 29.4 6.5 -7.2 130 130 A A H X S+ 0 0 10 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.927 108.6 44.3 -61.8 -41.7 33.1 7.3 -7.2 131 131 A V H X S+ 0 0 92 -4,-1.7 4,-0.8 1,-0.2 3,-0.3 0.943 114.1 50.2 -69.6 -42.5 32.6 9.8 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.918 107.4 53.6 -61.2 -44.9 29.5 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.4 1,-0.2 -1,-0.2 0.866 101.6 60.5 -58.5 -34.2 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.4 2,-1.8 -3,-0.3 -1,-0.2 0.706 86.7 77.8 -66.0 -26.0 34.0 13.6 -6.5 135 135 A K S << S+ 0 0 164 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 -0.453 81.1 97.9 -84.5 66.7 31.6 16.2 -7.6 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.1 1,-0.1 5,-0.1 -0.994 83.1-118.1-151.2 159.0 31.3 17.8 -4.2 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.850 115.1 62.1 -62.0 -37.4 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.932 104.7 44.7 -56.0 -49.0 34.0 18.0 0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.917 114.0 51.1 -66.9 -36.4 36.2 16.6 -2.6 140 140 A N H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.9 43.5 -67.3 -33.5 37.3 20.1 -3.6 141 141 A Q H < S+ 0 0 95 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 132.2 18.2 -80.9 -33.1 38.3 21.3 -0.1 142 142 A T S X S+ 0 0 24 -4,-2.1 4,-3.1 -5,-0.3 3,-0.2 -0.469 72.8 161.6-138.9 65.9 40.1 18.1 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.825 69.9 53.3 -53.9 -44.9 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.933 115.6 40.7 -63.4 -41.4 43.6 14.0 -0.9 145 145 A R H > S+ 0 0 21 -3,-0.2 4,-2.3 2,-0.2 3,-0.4 0.949 113.6 53.7 -67.8 -47.8 41.5 12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.930 107.0 53.5 -55.0 -44.0 38.5 12.6 -0.3 147 147 A K H X S+ 0 0 83 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.859 106.4 51.2 -60.2 -38.8 40.5 10.5 -2.8 148 148 A R H X S+ 0 0 50 -4,-1.6 4,-1.3 -3,-0.4 12,-0.2 0.948 114.3 43.7 -64.0 -46.1 41.5 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.915 113.8 50.2 -61.8 -44.7 37.9 7.5 1.0 150 150 A I H X S+ 0 0 12 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.875 108.7 51.3 -62.2 -41.1 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 32 -4,-2.2 4,-2.7 -5,-0.2 6,-0.4 0.807 106.8 56.5 -65.1 -32.0 39.0 4.7 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.891 109.0 44.9 -66.0 -43.9 38.0 2.7 -0.7 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.929 115.0 49.8 -67.1 -41.4 34.4 2.8 -1.9 154 154 A R H < S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.945 123.9 24.9 -62.2 -50.8 35.5 2.0 -5.5 155 155 A T H < S- 0 0 49 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.518 88.7-134.6 -96.3 -11.2 37.7 -1.0 -4.8 156 156 A G S < S+ 0 0 16 -4,-1.8 2,-0.2 -5,-0.2 -62,-0.2 0.699 73.1 99.1 65.4 14.3 36.4 -2.3 -1.6 157 157 A T S S- 0 0 42 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.2 -0.787 82.7-113.7-127.0 175.7 40.0 -2.7 -0.3 158 158 A W S >> S+ 0 0 40 -2,-0.2 3,-2.2 1,-0.2 4,-1.0 0.185 72.1 123.0 -91.6 17.7 42.4 -0.7 1.9 159 159 A D G >4 + 0 0 92 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.856 67.4 56.6 -47.0 -45.2 44.9 0.1 -0.9 160 160 A A G 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.599 110.5 46.2 -63.6 -17.1 44.7 3.9 -0.5 161 161 A Y G <4 S+ 0 0 1 -3,-2.2 2,-0.4 -13,-0.1 -1,-0.3 0.589 84.0 103.6-104.6 -13.5 45.8 3.6 3.1 162 162 A K S << S+ 0 0 102 -4,-1.0 2,-0.2 -3,-0.9 0, 0.0 -0.646 87.3 22.8 -78.2 131.9 48.6 1.2 2.8 163 163 A N 0 0 167 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.608 360.0 360.0 116.7 -55.2 51.9 3.0 3.1 164 164 A L 0 0 132 -2,-0.2 -2,-0.1 -4,-0.2 -3,-0.1 0.532 360.0 360.0 -40.3 360.0 50.5 6.0 5.0