==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 19-APR-95 185L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.MORTON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8771.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 82 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 157.8 43.7 -1.8 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.906 360.0 -80.8-155.8 175.8 40.4 -0.7 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.849 124.7 51.7 -54.0 -41.3 38.3 2.4 11.3 4 4 A F H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 113.4 42.0 -66.6 -43.9 40.5 3.7 14.2 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.863 114.5 53.4 -69.7 -36.4 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.2 0.955 112.8 41.0 -61.6 -55.1 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.833 109.7 60.3 -64.0 -31.3 40.7 7.9 10.9 8 8 A R H X S+ 0 0 99 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.910 108.2 45.1 -63.8 -36.1 44.0 8.3 12.9 9 9 A I H < S+ 0 0 87 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.911 116.7 45.1 -71.3 -43.3 45.8 8.7 9.6 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 124.1 30.8 -67.8 -36.1 43.2 11.1 8.2 11 11 A E H < S- 0 0 44 -4,-2.9 19,-0.3 1,-0.2 -1,-0.2 0.684 91.3-150.5 -98.3 -25.8 42.8 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.2 -0.191 25.5 -86.8 78.2-173.2 46.2 13.2 12.9 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.954 43.2 173.9-139.4 119.8 46.7 13.7 16.6 14 14 A R E -A 28 0A 143 14,-2.3 14,-2.8 -2,-0.4 4,-0.1 -0.998 17.6-167.2-128.1 130.5 47.1 17.1 18.3 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.0 12,-0.2 2,-0.4 0.358 73.7 63.4 -96.7 5.2 47.2 17.6 22.1 16 16 A K E S-C 57 0B 90 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.964 100.9 -88.1-127.8 143.0 46.7 21.3 22.0 17 17 A I E + 0 0 19 39,-1.7 2,-0.3 -2,-0.4 10,-0.2 -0.190 58.8 167.0 -47.3 132.8 43.7 23.2 20.7 18 18 A Y E -A 26 0A 31 8,-3.2 8,-3.6 -4,-0.1 2,-0.4 -0.914 37.3-101.7-142.5 172.3 44.0 23.9 17.0 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.856 33.7-139.7-100.5 133.9 42.0 25.0 14.0 20 20 A D > - 0 0 51 4,-2.5 3,-1.5 -2,-0.4 -1,-0.1 0.013 42.3 -79.1 -77.1-171.3 40.7 22.4 11.5 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 135.1 49.5 -63.5 -22.7 40.6 22.7 7.7 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.419 123.4-104.4 -93.7 -3.2 37.4 24.9 8.1 23 23 A G S < S+ 0 0 38 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.626 74.3 140.8 89.6 16.3 39.0 27.1 10.7 24 24 A Y - 0 0 72 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.795 60.1-101.9 -99.6 140.6 37.1 25.5 13.7 25 25 A Y E +AB 19 34A 37 9,-0.5 8,-2.6 11,-0.4 9,-1.3 -0.301 54.9 159.1 -60.6 124.6 38.6 24.8 17.1 26 26 A T E -AB 18 32A 2 -8,-3.6 -8,-3.2 6,-0.3 2,-0.3 -0.880 19.2-168.6-140.1 169.0 39.5 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.9 -2,-0.3 2,-0.2 -0.969 51.6 3.5-156.5 165.2 41.7 19.0 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-2.3 -2,-0.3 2,-0.8 -0.399 123.0 -5.2 64.9-128.1 43.0 15.4 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.634 127.4 -53.7 -99.8 69.0 42.0 13.1 16.8 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.729 83.2 160.7 72.8 20.7 39.6 15.4 14.9 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.4 1,-0.0 2,-0.3 -0.581 32.2-145.1 -81.4 105.6 37.4 16.2 17.9 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.471 17.7-175.6 -69.2 126.3 35.6 19.3 16.9 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.3 -7,-0.2 0.894 57.7 -28.4 -89.1 -43.6 35.0 21.5 19.9 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.3 -0.953 35.4-135.0-168.9 154.6 33.0 24.4 18.6 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.558 72.9 112.7 -92.4 -9.6 32.2 26.4 15.5 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.336 72.9-131.1 -67.0 143.0 32.4 29.6 17.5 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.530 77.4 104.9 -71.9 -3.8 35.2 31.9 16.6 38 38 A S > - 0 0 43 1,-0.1 4,-1.8 -13,-0.0 5,-0.1 -0.717 56.5-160.7 -92.1 120.8 36.0 32.2 20.3 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-2.6 1,-0.2 -1,-0.1 0.774 95.9 55.3 -64.5 -28.0 38.9 30.5 21.9 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 104.9 50.0 -71.3 -46.2 37.3 30.9 25.3 41 41 A A H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.880 111.9 51.0 -57.8 -37.2 34.2 29.2 24.2 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.903 108.4 49.9 -69.5 -41.3 36.5 26.4 22.9 43 43 A K H X S+ 0 0 47 -4,-2.6 4,-1.9 1,-0.2 11,-0.3 0.858 110.9 50.2 -67.4 -30.2 38.4 26.0 26.1 44 44 A S H X S+ 0 0 73 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.861 110.4 49.3 -70.0 -38.9 35.2 25.8 28.1 45 45 A E H X S+ 0 0 69 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.907 110.4 52.6 -66.4 -40.6 33.9 23.1 25.7 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.4 0.919 109.9 46.2 -59.0 -47.0 37.1 21.3 26.2 47 47 A D H X>S+ 0 0 36 -4,-1.9 4,-2.1 1,-0.2 5,-1.1 0.892 111.0 53.1 -64.5 -37.3 36.9 21.3 30.0 48 48 A K H <5S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 111.7 45.7 -63.4 -45.2 33.3 20.2 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 120.9 36.7 -65.6 -39.2 34.3 17.2 27.6 50 50 A I H <5S- 0 0 36 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.774 103.6-126.1 -86.5 -33.2 37.4 16.1 29.6 51 51 A G T <5S+ 0 0 63 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.807 74.8 74.1 89.4 30.5 35.9 16.8 33.0 52 52 A R S - 0 0 8 -2,-1.2 3,-1.0 -11,-0.3 -1,-0.2 0.749 32.7-140.6 -89.0 -25.0 42.5 21.6 31.1 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.811 71.6 -59.2 69.3 28.6 44.0 24.9 30.1 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.3 0.502 118.6 96.4 78.5 5.9 43.7 24.0 26.3 57 57 A V B < -C 16 0B 68 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.985 46.5-179.7-131.6 140.5 45.9 20.9 26.6 58 58 A I - 0 0 5 -43,-2.0 2,-0.2 -2,-0.3 -30,-0.1 -0.807 26.8-109.8-130.7 169.4 45.1 17.2 27.0 59 59 A T > - 0 0 65 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.546 33.6-106.1 -94.5 173.7 47.1 14.0 27.3 60 60 A K H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.847 120.9 53.7 -61.9 -39.4 47.2 11.3 24.8 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 108.6 49.0 -62.6 -43.3 45.0 9.0 26.9 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.838 111.0 51.4 -66.4 -34.6 42.4 11.8 27.0 63 63 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -34,-0.4 0.929 110.6 47.4 -66.2 -45.8 42.6 12.2 23.2 64 64 A E H X S+ 0 0 82 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.835 109.7 54.8 -65.8 -28.9 42.2 8.5 22.7 65 65 A K H X S+ 0 0 132 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.956 108.3 46.4 -69.0 -46.5 39.2 8.5 25.0 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.891 111.9 54.4 -59.4 -38.8 37.5 11.3 23.1 67 67 A F H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.944 105.9 49.6 -64.0 -47.8 38.3 9.4 19.9 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.913 112.9 49.1 -55.0 -43.6 36.6 6.2 21.2 69 69 A Q H X S+ 0 0 90 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.901 110.8 48.6 -65.0 -41.4 33.6 8.2 22.1 70 70 A D H X S+ 0 0 37 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.833 110.9 49.3 -69.3 -35.8 33.4 9.9 18.8 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.962 112.6 47.8 -66.9 -50.5 33.7 6.7 16.7 72 72 A D H X S+ 0 0 84 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.928 111.7 50.9 -54.4 -47.1 31.0 5.0 18.8 73 73 A A H X S+ 0 0 45 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.888 107.9 53.1 -61.4 -36.7 28.7 8.0 18.4 74 74 A A H X S+ 0 0 11 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.950 111.2 44.7 -64.1 -47.2 29.2 8.1 14.7 75 75 A V H X S+ 0 0 36 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.960 112.8 51.8 -60.7 -50.7 28.2 4.5 14.2 76 76 A R H X S+ 0 0 122 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.898 109.1 50.7 -58.9 -34.9 25.3 4.9 16.5 77 77 A G H X S+ 0 0 3 -4,-2.3 4,-0.6 -5,-0.2 3,-0.3 0.878 108.4 51.1 -69.5 -38.2 24.1 8.0 14.6 78 78 A I H >< S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.2 7,-0.4 0.950 109.2 52.0 -61.2 -45.7 24.2 6.2 11.3 79 79 A L H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 110.8 47.6 -64.1 -22.0 22.2 3.3 12.8 80 80 A R H 3< S+ 0 0 178 -4,-1.1 2,-0.7 -3,-0.3 -1,-0.3 0.445 92.2 96.1 -93.6 -10.3 19.6 5.7 14.0 81 81 A N > S+ 0 0 9 -6,-0.2 4,-2.5 -7,-0.2 3,-0.5 0.854 101.8 68.3 -86.5 -43.4 21.7 6.2 6.3 85 85 A K H 3X S+ 0 0 77 -4,-3.0 4,-2.6 -7,-0.4 5,-0.2 0.871 97.2 50.7 -47.9 -48.6 21.0 2.9 7.9 86 86 A P H 3> S+ 0 0 59 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.872 113.4 47.1 -64.1 -31.9 19.8 1.0 5.0 87 87 A V H X> S+ 0 0 10 -3,-0.5 4,-0.8 -4,-0.4 3,-0.6 0.952 111.8 49.3 -70.6 -48.7 22.8 2.0 2.9 88 88 A Y H >< S+ 0 0 30 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.894 107.9 54.9 -56.5 -42.9 25.2 1.2 5.6 89 89 A D H 3< S+ 0 0 71 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.817 103.6 56.8 -64.5 -26.7 23.6 -2.2 6.1 90 90 A S H << S+ 0 0 37 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.672 93.3 90.0 -78.2 -17.6 24.1 -3.0 2.5 91 91 A L S << S- 0 0 7 -3,-1.0 2,-0.1 -4,-0.8 31,-0.0 -0.434 75.5-117.9 -83.0 158.4 27.8 -2.5 2.5 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.318 43.6 -92.2 -80.7 169.0 30.7 -4.9 3.2 93 93 A A H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.844 122.5 49.0 -52.6 -46.3 33.0 -4.2 6.3 94 94 A V H >> S+ 0 0 28 1,-0.2 4,-1.5 62,-0.2 3,-0.5 0.958 113.3 46.9 -60.5 -51.3 35.7 -2.1 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.859 104.7 60.5 -62.8 -34.3 33.1 0.1 2.8 96 96 A R H 3X S+ 0 0 78 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.889 101.7 55.7 -58.7 -36.1 31.3 0.6 6.2 97 97 A A H S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.786 132.1 52.1 -60.9 -28.2 25.2 12.9 9.6 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.934 105.4 51.2 -74.2 -51.9 23.7 15.9 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.9 3,-0.8 1,-0.2 -2,-0.2 0.922 115.8 44.6 -51.6 -47.3 26.5 16.7 5.8 111 111 A V H >< S+ 0 0 6 -4,-2.5 3,-2.6 1,-0.2 -2,-0.2 0.864 98.4 67.7 -67.7 -41.8 26.3 13.1 4.5 112 112 A A H 3< S+ 0 0 33 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.725 92.1 67.2 -51.4 -22.1 22.5 13.0 4.2 113 113 A G T << S+ 0 0 64 -4,-0.9 -1,-0.3 -3,-0.8 3,-0.3 0.402 79.6 77.9 -80.4 -1.0 23.1 15.5 1.3 114 114 A F <> + 0 0 34 -3,-2.6 4,-2.5 1,-0.2 3,-0.4 -0.163 56.5 145.5-100.4 38.3 24.8 12.9 -0.9 115 115 A T H > + 0 0 87 -3,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.816 67.7 47.7 -44.4 -48.7 21.5 11.4 -1.8 116 116 A N H > S+ 0 0 101 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.881 112.4 48.4 -65.5 -42.0 22.5 10.4 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.882 109.8 53.2 -64.6 -40.0 25.8 8.9 -4.3 118 118 A L H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.908 106.5 52.0 -62.1 -42.9 24.1 6.8 -1.5 119 119 A R H X S+ 0 0 152 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.930 110.6 48.6 -63.2 -39.4 21.7 5.4 -3.9 120 120 A M H <>S+ 0 0 32 -4,-1.7 5,-2.2 1,-0.2 4,-0.2 0.887 111.5 49.2 -67.0 -38.1 24.5 4.4 -6.2 121 121 A L H ><5S+ 0 0 5 -4,-2.5 3,-1.8 2,-0.2 -1,-0.2 0.925 108.2 53.1 -65.7 -42.7 26.4 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.900 109.8 49.2 -60.5 -34.8 23.4 0.9 -2.2 123 123 A Q T 3<5S- 0 0 71 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.474 112.4-124.1 -80.8 -4.7 23.0 -0.4 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.8 2,-1.7 -4,-0.2 -3,-0.2 0.763 60.4 147.5 65.9 29.5 26.8 -1.4 -5.8 125 125 A R >< + 0 0 115 -5,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.660 22.7 176.2 -92.0 74.5 27.5 0.7 -8.9 126 126 A W H > + 0 0 50 -2,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.881 66.8 46.0 -54.5 -46.6 31.0 1.4 -7.6 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 114.4 47.3 -70.0 -37.8 32.5 3.3 -10.4 128 128 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 109.8 53.0 -69.3 -38.0 29.6 5.6 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.914 107.5 53.1 -61.9 -37.8 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.880 110.2 47.4 -66.7 -38.2 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 93 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.919 113.7 46.2 -69.6 -43.0 32.5 9.7 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.912 108.4 56.9 -65.6 -38.5 29.4 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 0.887 100.7 58.7 -58.6 -38.4 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 25 -4,-1.4 2,-1.8 1,-0.2 -1,-0.2 0.684 86.2 79.4 -65.5 -22.4 33.9 13.6 -6.4 135 135 A K S << S+ 0 0 163 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 -0.548 80.9 98.4 -86.3 69.2 31.4 16.2 -7.6 136 136 A S S > S- 0 0 17 -2,-1.8 4,-1.8 1,-0.1 5,-0.2 -0.990 85.2-115.3-152.9 157.6 31.2 17.8 -4.2 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.929 116.2 61.4 -60.0 -41.6 32.4 20.6 -2.1 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 8,-0.2 0.918 104.9 45.5 -47.5 -52.4 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 114.3 48.0 -63.7 -40.3 36.1 16.7 -2.7 140 140 A N H < S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.850 116.5 43.1 -72.2 -29.5 37.2 20.2 -3.7 141 141 A Q H < S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.880 130.3 20.0 -84.2 -42.6 38.1 21.3 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 -0.588 74.1 163.3-127.8 71.2 39.9 18.2 1.1 143 143 A P H > + 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 69.1 49.6 -60.3 -43.5 40.9 16.4 -2.1 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.926 116.0 42.1 -67.3 -39.3 43.5 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.937 114.8 51.7 -69.6 -45.5 41.4 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -8,-0.2 5,-0.2 0.912 107.6 53.1 -56.2 -42.0 38.3 12.5 -0.2 147 147 A K H X S+ 0 0 99 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.873 108.3 50.7 -60.1 -40.3 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 65 -4,-1.5 4,-1.5 2,-0.2 12,-0.2 0.935 114.1 42.7 -65.3 -44.6 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.882 114.5 51.1 -67.8 -41.9 37.8 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.894 108.7 51.7 -61.1 -43.7 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.6 4,-2.6 1,-0.2 6,-0.4 0.856 107.1 54.9 -61.7 -35.1 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.905 110.7 42.8 -64.7 -43.0 37.9 2.8 -0.6 153 153 A F H < S+ 0 0 6 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.876 115.0 51.9 -72.0 -35.1 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 103 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.919 124.9 22.2 -66.9 -44.0 35.4 2.1 -5.3 155 155 A T H < S- 0 0 46 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.637 85.6-135.2-100.2 -22.0 37.5 -0.9 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.725 73.3 103.2 71.5 18.1 36.4 -2.3 -1.3 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.804 80.1-120.4-124.3 173.1 40.1 -2.6 -0.2 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.128 72.5 122.1 -96.2 16.7 42.4 -0.6 2.1 159 159 A D G >4 + 0 0 96 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.840 66.3 57.8 -51.2 -37.6 44.8 0.2 -0.7 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.704 108.5 48.0 -67.0 -19.6 44.5 3.9 -0.4 161 161 A Y G <4 0 0 19 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.461 360.0 360.0-101.6 -2.8 45.7 3.7 3.2 162 162 A K << 0 0 178 -3,-1.3 -2,-0.2 -4,-0.6 -3,-0.1 0.871 360.0 360.0 -96.7 360.0 48.7 1.4 2.5