==== 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 25-JUN-97 228L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.P.BALDWIN,W.A.BAASE,X.-J.ZHANG,V.FEHER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 0 1 1 2 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.1 43.5 -1.9 9.0 2 2 A N > - 0 0 71 156,-0.0 4,-2.4 1,-0.0 5,-0.2 -0.936 360.0 -86.0-152.7 171.6 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.864 123.5 52.3 -52.2 -43.1 38.2 2.3 11.3 4 4 A F H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.964 112.7 42.9 -62.8 -49.0 40.3 3.6 14.2 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.892 113.9 53.9 -63.1 -38.4 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.955 111.7 42.0 -63.3 -52.3 42.0 4.8 9.2 7 7 A L H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.866 109.4 59.7 -66.6 -30.0 40.6 7.9 10.9 8 8 A R H X S+ 0 0 109 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.888 107.1 47.4 -65.6 -32.2 43.9 8.3 12.8 9 9 A I H < S+ 0 0 87 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.889 115.4 44.9 -71.6 -40.6 45.7 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.829 124.0 30.4 -72.7 -34.5 43.2 11.0 8.1 11 11 A E H < S- 0 0 49 -4,-2.8 19,-0.4 -5,-0.2 -2,-0.2 0.623 89.9-151.7-101.1 -19.7 42.9 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.154 25.6 -86.2 72.8-176.2 46.3 13.1 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.982 43.0 172.4-138.0 127.0 46.8 13.6 16.5 14 14 A R E -A 28 0A 119 14,-1.4 14,-2.4 -2,-0.4 4,-0.1 -0.999 19.3-162.9-139.0 126.8 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 0.435 73.4 62.0 -91.0 -2.9 47.3 17.6 21.9 16 16 A K E S-C 57 0B 84 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.876 100.5 -85.7-121.5 154.4 46.7 21.4 21.8 17 17 A I E + 0 0 24 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.368 59.4 168.7 -56.1 135.7 43.7 23.3 20.5 18 18 A Y E -A 26 0A 23 8,-2.9 8,-3.2 -4,-0.1 2,-0.5 -0.886 36.2-103.6-141.5 174.4 44.2 23.8 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.883 32.6-138.9-105.4 134.7 42.1 25.0 13.8 20 20 A D > - 0 0 49 4,-3.0 3,-2.2 -2,-0.5 -1,-0.0 -0.117 42.0 -80.1 -76.5-172.2 40.9 22.4 11.3 21 21 A T T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.661 135.0 49.6 -62.5 -20.5 40.9 22.9 7.5 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.352 123.6-105.9 -96.4 -0.4 37.7 25.0 7.8 23 23 A G S < S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.582 72.6 143.7 84.7 17.7 39.3 27.1 10.5 24 24 A Y - 0 0 75 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.729 59.0-101.2 -94.5 144.9 37.3 25.6 13.4 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-2.6 11,-0.4 9,-1.4 -0.398 56.5 158.4 -63.2 125.5 38.6 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-2.9 6,-0.2 2,-0.3 -0.909 19.5-171.1-143.1 168.8 39.5 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 2,-0.2 -0.990 50.7 6.4-157.6 164.6 41.7 19.0 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.4 -2,-0.3 2,-0.9 -0.449 122.5 -5.9 67.9-128.9 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 11 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.673 127.0 -54.5-105.7 72.1 41.9 13.2 16.6 30 30 A G T 4 S+ 0 0 21 -2,-0.9 2,-0.9 -19,-0.4 -2,-0.2 0.704 84.2 160.4 69.1 26.4 39.7 15.5 14.7 31 31 A H E < -B 27 0A 35 -4,-2.0 -4,-1.7 1,-0.0 -1,-0.2 -0.655 34.3-140.7 -85.4 105.2 37.4 16.2 17.6 32 32 A L E -B 26 0A 74 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.392 19.8-176.0 -63.0 131.6 35.5 19.4 16.7 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.862 59.2 -32.5 -97.2 -45.4 35.1 21.6 19.7 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.967 35.0-133.2-168.6 158.2 33.1 24.5 18.3 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.462 72.9 113.3 -96.2 -2.6 32.4 26.5 15.2 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.440 72.6-130.3 -74.0 143.5 32.6 29.7 17.2 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.451 77.0 103.0 -71.3 0.6 35.4 32.1 16.4 38 38 A S > - 0 0 47 1,-0.2 4,-2.1 -13,-0.0 5,-0.2 -0.752 55.8-160.3 -96.9 124.5 36.2 32.4 20.1 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.897 97.2 56.1 -60.2 -40.6 39.2 30.6 21.7 40 40 A N H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 104.9 50.2 -60.1 -45.4 37.6 31.1 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 112.3 49.3 -56.7 -42.0 34.5 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.883 109.4 50.3 -64.6 -42.4 36.7 26.5 22.6 43 43 A K H X S+ 0 0 64 -4,-2.8 4,-1.9 1,-0.2 11,-0.3 0.852 110.8 52.3 -66.0 -31.4 38.6 26.2 25.9 44 44 A S H X S+ 0 0 75 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.912 109.1 46.0 -72.7 -40.1 35.3 26.1 27.6 45 45 A E H X S+ 0 0 71 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.898 110.1 58.7 -68.0 -36.7 33.9 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.4 0.960 106.1 44.0 -58.7 -50.2 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 40 -4,-1.9 4,-2.8 1,-0.2 5,-1.3 0.877 112.6 53.1 -63.1 -34.7 37.0 21.4 29.8 48 48 A K H <5S+ 0 0 141 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.883 110.4 48.6 -65.2 -39.3 33.4 20.4 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 122.4 32.5 -69.0 -38.5 34.4 17.5 27.4 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.731 103.9-123.9 -93.2 -29.3 37.2 16.3 29.5 51 51 A G T <5S+ 0 0 63 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.2 0.825 77.4 65.5 90.1 29.8 35.9 17.2 32.9 52 52 A R S - 0 0 7 -2,-0.8 3,-1.0 -11,-0.3 -1,-0.2 0.648 33.3-141.2 -95.7 -26.3 42.7 21.8 30.8 55 55 A N T 3 S- 0 0 122 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.950 72.1 -57.4 62.3 44.5 43.9 25.1 29.7 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.585 117.5 102.9 60.4 15.8 43.7 24.0 26.0 57 57 A V B < +C 16 0B 73 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.986 44.6 179.5-131.8 132.8 46.0 21.0 26.5 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.811 24.7-116.1-123.9 167.5 45.1 17.3 26.8 59 59 A T > - 0 0 64 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.502 33.8-104.3 -93.8 173.8 47.0 14.1 27.3 60 60 A K H > S+ 0 0 111 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.888 120.7 51.1 -64.0 -44.2 47.2 11.2 24.8 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.885 109.0 51.8 -60.9 -41.0 44.8 9.1 26.8 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.912 108.9 50.7 -63.9 -42.4 42.3 11.9 26.9 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -34,-0.4 0.907 110.4 50.6 -58.4 -44.7 42.5 12.4 23.1 64 64 A E H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.832 105.7 55.3 -65.7 -31.8 41.9 8.7 22.7 65 65 A K H X S+ 0 0 137 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.917 107.8 47.6 -69.3 -39.7 39.0 8.8 24.9 66 66 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 111.0 54.9 -64.6 -37.2 37.3 11.4 22.9 67 67 A F H X S+ 0 0 15 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.924 106.1 48.6 -61.4 -48.4 38.2 9.4 19.8 68 68 A N H X S+ 0 0 90 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.935 112.9 48.9 -59.4 -44.1 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.878 110.7 51.5 -62.5 -38.3 33.4 8.3 22.0 70 70 A D H X S+ 0 0 51 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.891 110.3 47.0 -66.6 -39.7 33.4 9.9 18.5 71 71 A V H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.954 112.2 49.4 -66.5 -48.5 33.6 6.6 16.7 72 72 A D H X S+ 0 0 103 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.924 112.0 49.0 -56.8 -43.7 30.9 5.0 18.7 73 73 A A H X S+ 0 0 56 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.3 0.869 107.7 54.5 -67.0 -36.9 28.6 8.0 18.2 74 74 A A H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.962 111.2 45.2 -61.2 -49.0 29.2 8.0 14.5 75 75 A V H X S+ 0 0 34 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.940 114.8 47.1 -57.4 -49.0 28.2 4.4 14.2 76 76 A R H X S+ 0 0 130 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.894 110.8 52.9 -63.8 -37.2 25.1 4.9 16.4 77 77 A G H < S+ 0 0 0 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.877 108.5 49.7 -66.1 -35.7 24.2 8.0 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 7,-0.3 0.936 110.5 51.3 -64.8 -44.3 24.4 6.1 11.2 79 79 A L H 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 111.0 46.0 -68.1 -25.3 22.2 3.3 12.6 80 80 A R T 3< S+ 0 0 176 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.447 92.9 98.0 -93.0 -3.0 19.5 5.6 13.8 81 81 A N <> - 0 0 32 -3,-1.1 4,-3.2 -4,-0.4 -4,-0.0 -0.778 63.4-153.2 -93.8 121.2 19.5 7.5 10.5 82 82 A A T 4 S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.756 96.9 44.1 -60.4 -25.6 16.7 6.5 8.1 83 83 A K T > S+ 0 0 137 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.882 120.8 37.9 -85.8 -40.2 18.7 7.6 5.2 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.4 1,-0.1 3,-0.3 0.832 101.2 69.4 -81.6 -38.2 22.0 6.1 6.2 85 85 A K H X S+ 0 0 83 -4,-3.2 4,-2.9 -7,-0.3 5,-0.3 0.914 97.1 51.5 -49.8 -51.5 21.1 2.9 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.883 112.2 47.4 -57.2 -38.1 20.0 1.2 4.7 87 87 A V H X S+ 0 0 1 -4,-0.6 4,-0.9 -3,-0.3 3,-0.3 0.970 111.7 48.8 -66.6 -52.4 23.2 2.0 2.9 88 88 A Y H >< S+ 0 0 31 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.925 109.6 52.8 -52.3 -48.4 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.9 53.7 -61.5 -30.4 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.675 95.9 89.3 -79.5 -12.6 24.1 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.509 75.0-118.9 -88.8 157.8 27.8 -2.6 2.5 92 92 A D > - 0 0 58 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.283 45.5 -91.7 -77.4 168.5 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.847 122.5 48.8 -56.8 -41.4 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.4 1,-0.2 3,-0.3 0.935 112.5 46.2 -67.5 -46.0 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.846 105.2 60.9 -68.1 -31.1 33.1 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.918 101.3 55.2 -58.3 -38.5 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.903 104.2 54.2 -62.3 -39.1 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.863 108.4 48.1 -62.3 -38.2 34.5 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.908 109.4 52.4 -71.4 -37.4 31.0 5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.944 106.7 54.7 -59.9 -43.4 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.936 107.9 48.6 -53.5 -49.5 34.8 8.2 8.0 102 102 A M H X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.895 111.9 49.7 -61.7 -41.0 32.6 10.5 6.0 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.935 108.8 51.5 -66.2 -38.9 30.2 10.8 8.9 104 104 A A H < S+ 0 0 48 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.3 40.7 -64.8 -33.2 33.0 11.5 11.4 105 105 A Q H < S+ 0 0 55 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.869 132.3 17.2 -81.4 -40.9 34.3 14.3 9.1 106 106 A M H X S- 0 0 62 -4,-3.1 4,-0.7 -5,-0.2 -3,-0.2 0.447 101.5-113.6-118.0 1.4 31.1 15.9 8.0 107 107 A G H X - 0 0 33 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.119 36.1 -80.5 80.6 157.4 28.2 14.8 10.3 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.847 129.2 53.8 -59.6 -40.6 25.2 12.7 9.6 109 109 A T H > S+ 0 0 125 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.928 107.7 49.7 -63.1 -44.7 23.4 15.5 8.0 110 110 A G H >< S+ 0 0 28 -4,-0.7 3,-1.2 1,-0.2 -2,-0.2 0.957 114.5 43.8 -56.7 -55.2 26.2 16.2 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.9 1,-0.3 -2,-0.2 0.918 105.9 59.8 -59.9 -44.5 26.5 12.7 4.5 112 112 A A H 3< S+ 0 0 20 -4,-2.8 -1,-0.3 1,-0.3 3,-0.3 0.771 94.3 70.3 -58.9 -14.4 22.8 12.1 4.2 113 113 A G T << S+ 0 0 56 -3,-1.2 2,-0.5 -4,-0.8 -1,-0.3 0.540 75.7 81.5 -79.2 -4.7 23.0 15.0 1.7 114 114 A F <> + 0 0 34 -3,-2.9 4,-2.7 1,-0.2 5,-0.3 -0.254 56.6 154.8 -96.4 48.3 24.8 12.8 -0.8 115 115 A T H > + 0 0 70 -2,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.813 66.7 46.1 -40.9 -55.9 21.5 11.3 -1.9 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.891 114.5 46.8 -61.2 -45.8 22.6 10.3 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.883 109.4 55.2 -62.9 -40.9 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.911 107.2 50.6 -60.2 -40.3 24.2 6.9 -1.5 119 119 A R H X S+ 0 0 106 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.933 110.4 48.6 -65.5 -40.9 21.8 5.4 -4.0 120 120 A M H <>S+ 0 0 37 -4,-2.0 5,-2.4 1,-0.2 4,-0.4 0.877 110.7 51.1 -67.6 -35.7 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.938 108.9 50.7 -65.3 -42.5 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.904 109.3 51.2 -60.3 -36.3 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 98 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.516 113.7-120.4 -78.4 -4.6 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 99 -3,-1.6 2,-1.2 -4,-0.4 -3,-0.2 0.795 62.6 147.7 68.9 31.4 26.7 -1.5 -5.8 125 125 A R >< + 0 0 110 -5,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.673 19.4 173.8 -97.2 74.4 27.6 0.7 -8.7 126 126 A W H > S+ 0 0 51 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.872 70.3 43.5 -52.1 -53.1 31.2 1.4 -7.4 127 127 A D H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 115.3 48.7 -65.0 -40.9 32.6 3.3 -10.4 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.931 111.4 50.3 -67.9 -38.4 29.6 5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.895 107.1 53.7 -63.0 -42.6 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 13 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.912 109.5 48.5 -63.0 -38.2 33.0 7.3 -7.0 131 131 A V H X S+ 0 0 89 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.935 114.4 45.7 -64.7 -46.2 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.899 108.3 55.9 -63.6 -41.1 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.2 -1,-0.2 0.867 102.6 59.2 -59.2 -33.9 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.4 2,-1.9 -5,-0.2 -1,-0.2 0.732 85.7 78.3 -69.3 -21.5 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 149 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 -0.489 81.7 93.1 -86.6 71.2 31.5 16.2 -7.7 136 136 A S S > S- 0 0 21 -2,-1.9 4,-1.8 1,-0.1 5,-0.1 -0.992 85.3-112.9-155.3 161.5 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.905 115.1 63.3 -61.1 -43.6 32.7 20.6 -2.2 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.942 105.9 43.5 -45.7 -52.4 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.4 48.7 -64.5 -38.4 36.2 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 115.7 42.1 -74.5 -29.3 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 103 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.839 132.2 20.1 -85.1 -35.7 38.3 21.3 -0.3 142 142 A T S X S+ 0 0 18 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 -0.581 73.1 160.9-134.1 74.0 40.0 18.1 1.0 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.837 69.9 52.6 -65.5 -39.1 41.0 16.2 -2.1 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.946 115.2 40.5 -66.0 -45.9 43.6 14.0 -0.7 145 145 A R H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.920 116.0 51.2 -67.3 -44.9 41.4 12.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 -8,-0.2 5,-0.2 0.881 106.8 54.2 -60.4 -38.3 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 98 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.898 107.9 50.6 -62.7 -39.0 40.5 10.5 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.6 4,-1.4 2,-0.2 12,-0.2 0.908 114.0 43.1 -63.6 -43.4 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.938 114.2 50.8 -67.7 -45.9 37.7 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.914 109.1 51.0 -58.3 -43.1 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 40 -4,-2.4 4,-2.5 -5,-0.2 6,-0.3 0.856 107.5 54.0 -65.8 -31.4 39.0 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.896 110.1 46.4 -68.4 -39.4 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.7 48.5 -70.8 -35.1 34.4 2.9 -1.8 154 154 A R H < S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.890 124.5 25.7 -70.1 -41.7 35.4 2.0 -5.3 155 155 A T H < S- 0 0 48 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.675 84.8-136.1 -98.5 -25.0 37.6 -0.9 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 1,-0.3 -62,-0.2 0.690 73.3 99.4 73.9 15.0 36.4 -2.4 -1.2 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.845 81.8-117.1-126.3 172.9 40.1 -2.7 -0.1 158 158 A W S > S+ 0 0 38 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 0.186 71.9 122.0 -93.8 15.9 42.4 -0.7 2.2 159 159 A D G > + 0 0 105 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.764 65.9 58.0 -53.0 -32.5 44.8 0.1 -0.6 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.633 109.5 46.8 -74.6 -12.6 44.7 3.8 -0.4 161 161 A Y G < 0 0 18 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.375 360.0 360.0-109.2 0.8 45.8 3.6 3.2 162 162 A K < 0 0 180 -3,-0.8 -2,-0.2 -4,-0.5 -3,-0.1 0.846 360.0 360.0 -97.8 360.0 48.7 1.2 2.7