==== 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) 01-MAY-89 1L17 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.MATSUMURA,S.DAO-PIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 69.5 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 7.3 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 . 9 5.5 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 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 78 0, 0.0 2,-0.2 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 146.5 36.9 -23.7 9.0 2 2 A N > - 0 0 73 95,-0.0 4,-2.4 1,-0.0 3,-0.3 -0.791 360.0 -93.1-132.0 170.9 34.8 -21.2 11.0 3 3 A V H > S+ 0 0 19 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.817 121.4 56.8 -56.7 -33.9 34.6 -17.4 11.1 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 109.8 42.3 -63.0 -47.9 37.0 -17.2 14.0 5 5 A E H > S+ 0 0 93 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.875 113.7 55.1 -67.1 -37.6 39.8 -19.0 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.947 111.7 41.6 -59.9 -52.7 39.0 -17.0 9.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.4 0.832 109.0 59.1 -66.9 -32.8 39.3 -13.7 10.8 8 8 A R H X S+ 0 0 107 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.914 107.4 48.9 -63.4 -33.1 42.4 -14.8 12.7 9 9 A I H < S+ 0 0 51 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.963 114.9 43.8 -69.8 -43.3 44.0 -15.4 9.3 10 10 A D H < S+ 0 0 19 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 124.6 30.2 -71.8 -31.7 43.0 -12.0 8.0 11 11 A E H < S- 0 0 34 -4,-2.3 19,-0.3 -5,-0.1 -1,-0.2 0.735 91.0-148.7-103.2 -27.9 43.9 -9.9 11.0 12 12 A G < - 0 0 20 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.176 24.7 -87.7 81.8 177.2 46.8 -11.7 12.6 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.993 42.7 175.7-127.7 130.3 47.4 -11.6 16.4 14 14 A R E -A 28 0A 130 14,-1.4 14,-2.3 -2,-0.4 4,-0.1 -0.998 17.6-167.0-136.8 128.6 49.5 -8.8 18.1 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.419 73.7 59.9 -93.0 -3.3 50.0 -8.5 21.8 16 16 A K E S-C 57 0B 106 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.927 102.6 -84.3-125.7 147.9 51.5 -5.0 21.8 17 17 A I E + 0 0 20 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.209 59.9 173.6 -48.6 136.8 49.7 -1.7 20.5 18 18 A Y E -A 26 0A 27 8,-3.1 8,-2.7 -4,-0.1 2,-0.4 -0.877 33.8-107.7-142.5 168.5 50.3 -1.5 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.884 32.8-138.3-102.1 134.0 49.2 0.6 13.8 20 20 A D > - 0 0 48 4,-3.0 3,-1.9 -2,-0.4 -1,-0.1 -0.096 40.0 -82.8 -78.1-174.1 46.8 -0.9 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.805 134.6 49.2 -60.5 -28.0 47.0 -0.6 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.396 124.8-104.3 -89.6 -0.1 45.3 2.8 7.9 23 23 A G S < S+ 0 0 34 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.635 73.3 143.0 86.2 17.8 47.7 3.8 10.6 24 24 A Y - 0 0 78 1,-0.1 -4,-3.0 9,-0.0 2,-0.4 -0.658 59.2-102.1 -96.2 150.5 45.3 3.4 13.5 25 25 A Y E +AB 19 34A 32 9,-0.9 8,-3.0 11,-0.3 9,-1.4 -0.572 54.4 161.2 -70.9 120.5 46.1 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-2.7 -8,-3.1 -2,-0.4 2,-0.3 -0.847 19.5-168.0-135.6 161.3 45.0 -1.5 17.2 27 27 A I E > - B 0 31A 0 4,-1.3 4,-1.9 -2,-0.3 -12,-0.2 -0.960 53.1 -1.6-147.9 161.5 45.8 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.4 -2,-0.3 2,-0.9 -0.344 122.7 -3.2 68.0-131.0 45.1 -8.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.689 127.7 -53.6-100.6 74.9 43.1 -9.6 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.768 83.6 160.6 64.4 29.2 42.2 -6.5 14.7 31 31 A H E < -B 27 0A 34 -4,-1.9 -4,-1.3 1,-0.0 -1,-0.2 -0.689 33.0-142.7 -85.5 101.3 40.7 -4.6 17.7 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.348 19.8-177.6 -62.2 129.9 40.7 -0.9 16.8 33 33 A L E - 0 0 13 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.896 59.4 -24.8 -93.5 -50.9 41.5 1.2 19.8 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.9 2,-0.1 -1,-0.4 -0.983 35.2-139.0-158.1 152.2 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 0.470 75.1 113.5 -88.8 -4.1 41.5 6.7 15.3 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.3 1,-0.1 -2,-0.1 -0.330 72.4-131.1 -71.1 143.9 43.3 9.4 17.4 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.590 77.1 101.4 -72.5 -9.4 47.0 10.1 16.7 38 38 A S > - 0 0 49 1,-0.2 4,-2.0 2,-0.1 3,-0.2 -0.719 56.1-161.8 -91.6 119.0 47.9 9.9 20.3 39 39 A L H > S+ 0 0 66 -2,-0.7 4,-1.8 1,-0.3 -1,-0.2 0.738 100.1 57.0 -57.2 -26.3 49.5 6.7 21.5 40 40 A N H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.920 100.8 50.8 -75.3 -42.5 48.4 8.0 24.8 41 41 A A H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.875 113.1 52.3 -57.2 -34.9 44.8 8.2 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.830 105.4 49.8 -68.0 -41.8 45.4 4.6 22.7 43 43 A K H X S+ 0 0 51 -4,-1.8 4,-1.9 1,-0.2 11,-0.3 0.834 110.7 52.8 -71.0 -25.5 46.8 3.3 25.9 44 44 A S H X S+ 0 0 69 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.901 109.2 46.7 -72.9 -44.0 43.9 4.8 27.7 45 45 A E H X S+ 0 0 62 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.911 110.2 56.0 -64.3 -40.3 41.3 3.1 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.921 107.4 46.0 -57.9 -46.4 43.2 -0.0 26.0 47 47 A D H X>S+ 0 0 37 -4,-1.9 4,-2.4 1,-0.2 5,-0.6 0.863 112.7 51.2 -66.0 -34.9 43.1 0.0 29.8 48 48 A K H <5S+ 0 0 147 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 111.1 49.0 -67.1 -40.9 39.4 0.9 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.855 120.8 33.8 -68.6 -34.5 38.8 -2.0 27.4 50 50 A I H <5S- 0 0 38 -4,-1.9 -2,-0.2 2,-0.3 -1,-0.2 0.746 99.7-127.1 -93.8 -30.6 40.7 -4.6 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.4 2,-0.3 1,-0.4 -3,-0.2 0.632 78.1 77.9 89.9 14.5 40.0 -3.3 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.722 30.2-145.7 -98.0 -22.9 48.1 -2.6 30.6 55 55 A N T 3 S- 0 0 127 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.910 73.5 -53.5 57.9 45.3 50.8 -0.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.536 119.2 94.7 72.7 6.2 50.3 -1.1 25.9 57 57 A V B < -C 16 0B 62 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.981 47.0-179.6-135.8 144.9 50.5 -4.8 26.2 58 58 A I - 0 0 5 -43,-2.3 2,-0.1 -2,-0.4 -30,-0.1 -0.855 26.1-111.5-134.1 164.7 48.0 -7.7 26.7 59 59 A T > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.439 35.4-104.6 -88.8 166.2 48.0 -11.5 27.1 60 60 A K H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 122.6 54.4 -53.8 -48.6 46.7 -14.0 24.6 61 61 A D H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 107.4 49.4 -51.3 -47.8 43.7 -14.6 26.8 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.856 110.6 50.5 -61.5 -42.2 42.9 -10.8 26.8 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.872 111.4 47.7 -63.9 -43.3 43.2 -10.7 23.0 64 64 A E H X S+ 0 0 75 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.820 108.3 55.0 -67.6 -34.0 40.9 -13.6 22.6 65 65 A K H X S+ 0 0 139 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.962 110.2 45.8 -62.8 -47.3 38.4 -12.1 25.0 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.889 111.3 53.7 -58.9 -40.3 38.3 -8.9 22.8 67 67 A F H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.941 105.9 51.6 -63.1 -48.0 38.0 -11.0 19.7 68 68 A N H X S+ 0 0 93 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.935 112.2 47.7 -55.1 -44.6 35.0 -12.9 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.880 110.4 50.6 -61.8 -43.7 33.3 -9.6 21.9 70 70 A D H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.842 110.5 47.9 -64.4 -37.7 34.0 -8.1 18.5 71 71 A V H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.937 113.2 49.2 -69.1 -43.2 32.6 -11.1 16.5 72 72 A D H X S+ 0 0 88 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.930 112.0 48.0 -59.0 -48.6 29.5 -11.1 18.7 73 73 A A H X S+ 0 0 43 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.882 110.5 52.6 -61.0 -39.3 29.0 -7.4 18.2 74 74 A A H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.951 112.0 45.5 -61.6 -49.2 29.5 -7.8 14.4 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.955 115.1 45.9 -58.6 -50.6 26.9 -10.5 14.2 76 76 A R H X S+ 0 0 111 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.879 110.3 55.7 -61.5 -37.1 24.3 -8.6 16.4 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.5 -5,-0.3 3,-0.4 0.927 107.5 47.6 -63.0 -44.9 25.0 -5.5 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 7,-0.5 0.925 111.0 52.5 -58.5 -44.8 24.1 -7.2 11.2 79 79 A L H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.714 113.2 44.2 -67.3 -22.1 21.0 -8.6 12.7 80 80 A R H 3< S+ 0 0 171 -4,-1.4 2,-0.5 -3,-0.4 -1,-0.3 0.331 92.9 94.8 -96.8 -8.9 19.9 -5.2 13.9 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.4 0.866 101.6 64.4 -84.6 -46.5 22.2 -5.9 6.4 85 85 A K H X S+ 0 0 78 -4,-2.3 4,-3.1 -7,-0.5 5,-0.2 0.870 99.7 51.0 -49.6 -50.1 19.8 -8.4 8.0 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.881 112.5 48.5 -61.8 -36.1 17.8 -9.3 4.9 87 87 A V H > S+ 0 0 2 -3,-0.4 4,-0.6 -4,-0.4 3,-0.3 0.947 112.1 47.9 -66.3 -46.4 21.1 -10.0 3.0 88 88 A Y H >< S+ 0 0 37 -4,-2.6 3,-1.8 1,-0.2 -3,-0.2 0.958 110.5 52.2 -57.0 -50.2 22.4 -12.1 5.8 89 89 A D H 3< S+ 0 0 78 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.811 107.4 53.3 -59.6 -30.1 19.1 -14.0 6.0 90 90 A S H 3< S+ 0 0 34 -4,-1.3 -1,-0.3 -3,-0.3 2,-0.2 0.582 96.6 89.6 -78.5 -13.9 19.2 -14.8 2.3 91 91 A L S << S- 0 0 6 -3,-1.8 31,-0.0 -4,-0.6 2,-0.0 -0.613 74.7-117.5 -91.6 159.0 22.8 -16.2 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-2.1 1,-0.0 5,-0.1 -0.182 45.4 -92.0 -75.4 167.9 24.2 -19.7 2.9 93 93 A A H > S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.878 121.9 44.9 -54.6 -47.7 26.5 -20.4 5.9 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.4 2,-0.2 3,-0.5 0.931 113.6 49.1 -65.5 -46.2 29.9 -19.7 4.3 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.869 104.3 60.9 -62.5 -32.4 28.7 -16.6 2.5 96 96 A R H X S+ 0 0 82 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.910 101.9 52.8 -57.9 -38.8 27.3 -15.5 5.9 97 97 A C H X S+ 0 0 20 -4,-1.3 4,-2.2 -3,-0.5 -1,-0.2 0.886 104.3 56.7 -62.1 -37.3 30.9 -15.7 7.2 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.848 107.9 46.0 -61.8 -41.0 32.1 -13.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.848 109.7 54.6 -72.2 -35.2 29.6 -10.7 5.4 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.921 107.2 52.5 -62.9 -38.4 30.6 -11.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.959 108.9 47.4 -60.5 -51.6 34.3 -10.5 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.899 113.3 49.4 -57.6 -42.8 33.5 -7.3 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.894 108.8 51.6 -66.9 -39.1 31.5 -5.9 8.9 104 104 A F H < S+ 0 0 30 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.933 117.6 39.5 -62.2 -41.4 34.2 -6.7 11.4 105 105 A Q H < S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 131.8 19.9 -74.6 -45.6 36.8 -4.8 9.2 106 106 A M H X S- 0 0 50 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.440 102.9-113.9-115.6 8.3 34.8 -1.9 8.1 107 107 A G H X - 0 0 34 -4,-1.7 4,-2.0 -5,-0.3 5,-0.2 0.230 35.1 -81.7 71.5 154.6 31.9 -1.4 10.4 108 108 A E H > S+ 0 0 54 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.889 127.9 53.6 -54.3 -45.8 28.2 -1.8 9.7 109 109 A T H > S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.944 107.3 50.1 -60.9 -47.1 27.9 1.6 8.3 110 110 A G H < S+ 0 0 32 -4,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.895 113.9 43.9 -58.9 -45.4 30.7 1.0 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.2 -1,-0.2 0.916 105.2 61.9 -69.5 -40.0 29.2 -2.2 4.6 112 112 A A H 3< S+ 0 0 15 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.808 94.7 66.7 -55.0 -25.5 25.7 -0.8 4.4 113 113 A G T 3< S+ 0 0 57 -4,-1.3 2,-1.2 -3,-0.3 3,-0.3 0.570 75.9 85.1 -69.9 -11.8 27.2 1.7 1.8 114 114 A F <> + 0 0 38 -3,-2.6 4,-2.4 1,-0.2 3,-0.3 -0.218 56.4 156.9 -88.5 53.1 27.8 -1.2 -0.7 115 115 A T H > + 0 0 90 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.847 67.7 43.3 -41.9 -55.9 24.2 -0.8 -1.9 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.891 114.4 48.3 -64.9 -44.7 24.7 -2.3 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.856 110.3 53.2 -61.7 -43.5 26.8 -5.3 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.908 108.1 50.9 -59.0 -43.1 24.3 -6.1 -1.4 119 119 A R H X S+ 0 0 117 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.932 110.6 49.7 -63.1 -42.2 21.5 -6.2 -4.0 120 120 A M H <>S+ 0 0 27 -4,-2.0 5,-2.5 2,-0.2 -1,-0.2 0.874 110.0 49.0 -66.8 -37.8 23.5 -8.5 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.939 109.3 53.3 -68.4 -40.9 24.3 -10.9 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.892 109.7 48.3 -57.4 -38.1 20.7 -10.9 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.442 114.1-121.2 -80.2 -0.9 19.9 -11.9 -5.8 124 124 A K T < 5 + 0 0 97 -3,-2.3 2,-1.1 -4,-0.2 -3,-0.2 0.782 61.2 148.0 63.3 33.7 22.5 -14.6 -5.8 125 125 A R >< + 0 0 120 -5,-2.5 4,-2.7 1,-0.2 -1,-0.2 -0.698 18.7 173.3-100.8 76.9 24.4 -13.1 -8.8 126 126 A W H > + 0 0 49 -2,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.853 69.9 45.4 -51.7 -52.8 27.8 -14.3 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 115.7 47.2 -63.9 -43.7 30.0 -13.3 -10.5 128 128 A E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.897 110.8 50.0 -68.2 -42.3 28.4 -9.9 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.873 107.3 55.6 -61.7 -39.0 28.7 -9.1 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.894 109.2 47.3 -58.8 -43.0 32.4 -10.1 -7.1 131 131 A V H < S+ 0 0 87 -4,-1.9 4,-0.5 1,-0.2 3,-0.2 0.917 113.7 47.5 -67.3 -42.7 33.2 -7.7 -9.9 132 132 A N H >< S+ 0 0 43 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.906 107.6 54.4 -64.8 -43.9 31.2 -4.9 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.828 100.5 62.5 -58.2 -33.1 32.8 -5.4 -4.8 134 134 A A T 3< S+ 0 0 27 -4,-1.1 2,-1.4 -3,-0.2 -1,-0.2 0.645 86.1 78.2 -70.3 -14.6 36.3 -5.1 -6.4 135 135 A K S < S+ 0 0 155 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.555 80.1 93.0 -94.5 69.8 35.5 -1.5 -7.5 136 136 A S S > S- 0 0 20 -2,-1.4 4,-2.0 1,-0.1 3,-0.2 -0.986 85.8-112.8-154.4 160.6 36.1 0.0 -4.1 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.877 115.9 64.4 -60.4 -38.3 38.7 1.7 -2.0 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.916 105.5 41.8 -49.2 -53.1 38.5 -1.4 0.2 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.874 114.8 50.5 -65.6 -44.7 39.8 -3.6 -2.6 140 140 A N H < S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.863 115.1 42.9 -66.4 -33.4 42.4 -1.1 -3.7 141 141 A Q H < S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 131.1 19.4 -79.8 -41.3 43.8 -0.7 -0.2 142 142 A T S X S+ 0 0 20 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 -0.541 74.2 163.5-130.0 65.9 43.8 -4.3 1.1 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.817 70.2 48.7 -57.0 -42.8 43.7 -6.3 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.936 116.8 41.9 -68.9 -44.6 44.8 -9.8 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.941 115.6 51.1 -62.8 -47.9 42.4 -9.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.958 108.9 51.6 -54.5 -47.6 39.6 -8.3 -0.2 147 147 A K H X S+ 0 0 89 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.851 106.8 53.4 -55.4 -40.3 40.3 -11.0 -2.8 148 148 A R H X S+ 0 0 53 -4,-1.6 4,-1.6 -3,-0.2 12,-0.2 0.949 114.1 42.1 -61.7 -44.8 40.0 -13.7 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.904 113.6 51.2 -66.5 -44.7 36.5 -12.3 0.9 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.918 108.6 51.6 -59.8 -46.2 35.4 -11.8 -2.6 151 151 A T H X S+ 0 0 32 -4,-2.5 4,-2.7 -5,-0.2 6,-0.4 0.848 106.7 55.0 -59.9 -37.1 36.3 -15.4 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.896 111.5 43.3 -62.5 -40.6 34.3 -16.6 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.876 115.7 50.9 -71.7 -38.6 31.2 -14.7 -1.9 154 154 A R H < S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.945 125.0 21.4 -60.9 -53.3 31.9 -15.9 -5.4 155 155 A T H < S- 0 0 45 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.618 85.3-133.8 -95.7 -26.4 32.3 -19.6 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.1 2,-0.2 -5,-0.3 -62,-0.2 0.709 73.8 100.0 74.5 16.8 30.5 -20.2 -1.5 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.4 -5,-0.1 -1,-0.3 -0.804 81.9-115.5-128.9 174.6 33.5 -22.3 -0.3 158 158 A W S > S+ 0 0 28 -2,-0.2 3,-1.6 1,-0.2 4,-0.5 0.133 73.6 120.4 -92.6 15.4 36.6 -21.9 1.9 159 159 A D G > + 0 0 99 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.809 65.3 59.9 -50.1 -40.1 39.0 -22.3 -0.9 160 160 A A G 3 S+ 0 0 14 -3,-0.4 -1,-0.2 1,-0.3 4,-0.2 0.725 113.5 38.1 -65.0 -19.2 40.7 -18.9 -0.5 161 161 A Y G < S+ 0 0 1 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.395 93.2 83.5-108.6 -2.8 41.7 -19.8 3.0 162 162 A K S < S+ 0 0 136 -3,-1.2 -2,-0.1 -4,-0.5 -3,-0.1 0.643 92.1 53.1 -81.2 -14.3 42.6 -23.4 2.5 163 163 A N 0 0 133 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.824 360.0 360.0 -62.9 -55.0 45.9 -22.4 1.4 164 164 A L 0 0 117 -4,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.596 360.0 360.0 -78.2 360.0 46.7 -20.2 4.4