==== 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 1L18 . 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) . 8610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.2 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 1 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 80 0, 0.0 2,-0.2 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0 143.8 36.0 -23.3 9.3 2 2 A N > - 0 0 68 95,-0.0 4,-2.0 1,-0.0 5,-0.2 -0.676 360.0 -92.4-128.4 179.4 33.9 -20.6 10.9 3 3 A Y H > S+ 0 0 74 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.833 120.8 57.3 -70.4 -22.8 33.8 -16.8 11.0 4 4 A F H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 110.3 41.4 -68.7 -48.4 36.0 -16.6 14.0 5 5 A E H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 112.4 56.1 -63.5 -39.4 38.9 -18.5 12.4 6 6 A M H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.918 111.7 41.9 -56.3 -48.2 38.4 -16.7 9.2 7 7 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.4 0.859 108.4 59.7 -70.0 -34.9 38.8 -13.3 10.9 8 8 A R H X S+ 0 0 104 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.892 109.2 46.0 -59.9 -34.5 41.7 -14.6 13.0 9 9 A I H < S+ 0 0 55 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.934 115.5 43.7 -72.3 -47.5 43.5 -15.3 9.7 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.777 123.1 35.4 -67.2 -31.8 42.7 -12.0 8.1 11 11 A E H < S- 0 0 34 -4,-2.3 19,-0.4 1,-0.2 -1,-0.2 0.659 92.5-150.6-100.4 -24.6 43.5 -9.8 11.2 12 12 A G < - 0 0 20 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.2 -0.262 24.0 -86.6 82.0-177.6 46.4 -11.6 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.980 43.7 174.5-134.8 124.6 47.1 -11.6 16.5 14 14 A R E -A 28 0A 129 14,-1.6 14,-2.6 -2,-0.4 4,-0.1 -0.980 16.9-167.9-136.7 117.9 49.2 -8.7 18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.446 73.6 59.5 -83.7 -4.4 49.7 -8.4 21.8 16 16 A K E S-C 57 0B 118 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.928 101.5 -87.4-124.3 147.7 51.2 -4.8 21.7 17 17 A I E + 0 0 23 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.278 58.8 167.8 -51.5 138.6 49.5 -1.6 20.4 18 18 A Y E -A 26 0A 29 8,-2.5 8,-2.9 6,-0.1 2,-0.4 -0.900 37.0-103.9-143.8 171.3 50.2 -1.3 16.7 19 19 A K E -A 25 0A 118 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.843 33.3-139.2-101.6 141.3 48.9 0.7 13.8 20 20 A D > - 0 0 48 4,-2.4 3,-2.4 -2,-0.4 -1,-0.1 -0.144 42.0 -77.6 -81.7-176.2 46.6 -0.9 11.3 21 21 A T T 3 S+ 0 0 113 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.785 134.8 50.2 -58.6 -27.5 46.6 -0.6 7.5 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.404 122.5-106.3 -89.2 1.2 45.0 2.9 7.9 23 23 A G S < S+ 0 0 37 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.616 74.1 141.7 82.3 16.1 47.6 4.0 10.5 24 24 A Y - 0 0 80 1,-0.1 -4,-2.4 9,-0.0 2,-0.3 -0.729 60.4-102.5 -94.5 147.3 45.1 3.6 13.4 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-3.0 11,-0.4 9,-1.3 -0.471 53.7 162.6 -65.2 122.5 46.0 2.3 16.8 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.5 -2,-0.3 2,-0.3 -0.832 18.4-169.5-137.2 162.0 44.9 -1.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.9 -2,-0.3 2,-0.2 -0.984 53.0 4.0-149.7 161.1 45.6 -4.2 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.6 -2,-0.3 2,-0.9 -0.404 122.9 -8.1 72.2-133.2 44.8 -7.9 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.683 128.0 -50.3-104.6 75.3 42.9 -9.3 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.2 -19,-0.4 -2,-0.2 0.776 83.9 161.4 69.3 24.3 41.9 -6.2 14.8 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.4 1,-0.0 -1,-0.2 -0.647 32.4-145.1 -82.3 97.0 40.5 -4.4 17.9 32 32 A L E -B 26 0A 70 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.359 19.2-177.3 -58.2 129.4 40.5 -0.8 16.8 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.886 58.7 -23.6 -97.4 -47.9 41.3 1.4 19.8 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.960 37.8-141.2-160.7 147.2 41.1 5.0 18.6 35 35 A K S S+ 0 0 131 -2,-0.3 -1,-0.0 -11,-0.2 -3,-0.0 0.373 75.4 109.9 -90.2 -0.5 41.4 6.8 15.3 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.492 74.3-129.8 -74.2 144.6 43.2 9.6 17.2 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.634 75.5 105.9 -75.1 -9.8 46.9 10.2 16.7 38 38 A S > - 0 0 48 1,-0.2 4,-1.8 2,-0.1 -2,-0.1 -0.616 55.8-160.9 -81.6 125.1 47.7 10.1 20.3 39 39 A L H > S+ 0 0 61 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.818 99.4 57.6 -61.6 -28.9 49.4 7.0 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.960 101.1 50.4 -69.4 -46.5 48.1 8.3 24.9 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 112.0 51.9 -56.1 -38.4 44.5 8.3 23.8 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.912 108.1 48.1 -63.7 -46.9 45.1 4.7 22.7 43 43 A K H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 11,-0.3 0.854 112.1 51.7 -65.6 -30.9 46.6 3.5 25.9 44 44 A S H X S+ 0 0 68 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.949 110.9 45.3 -70.5 -46.8 43.8 5.1 27.7 45 45 A E H X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.940 112.3 55.5 -60.1 -45.6 41.1 3.4 25.5 46 46 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 5,-0.3 0.938 107.7 46.4 -54.4 -50.1 43.0 0.2 26.0 47 47 A D H X>S+ 0 0 36 -4,-2.5 4,-2.1 1,-0.2 5,-0.8 0.843 112.0 49.7 -63.8 -34.9 42.9 0.4 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.866 110.9 52.1 -70.5 -33.3 39.3 1.2 29.8 49 49 A A H <5S+ 0 0 43 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.853 118.9 34.0 -69.8 -37.5 38.6 -1.7 27.4 50 50 A I H <5S- 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.732 99.8-127.6 -91.8 -27.2 40.5 -4.2 29.5 51 51 A G T <5S+ 0 0 70 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.724 78.8 76.0 84.3 20.3 39.7 -2.9 33.0 52 52 A R S - 0 0 8 -2,-0.9 3,-1.7 -11,-0.3 -1,-0.2 0.691 31.7-144.4 -96.1 -17.3 48.0 -2.5 30.7 55 55 A N T 3 S- 0 0 130 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.891 75.2 -53.0 57.1 42.7 50.7 -0.1 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.572 119.7 99.7 74.0 5.9 50.0 -0.9 26.0 57 57 A V B < -C 16 0B 63 -3,-1.7 2,-0.3 -41,-0.2 -41,-0.2 -0.987 45.4-178.8-130.7 140.8 50.3 -4.7 26.4 58 58 A I - 0 0 4 -43,-2.1 2,-0.1 -2,-0.4 -30,-0.1 -0.865 24.1-117.7-129.3 160.4 47.6 -7.4 26.7 59 59 A T > - 0 0 66 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.479 34.3-102.4 -90.6 172.9 47.7 -11.2 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 122.3 51.2 -59.4 -45.4 46.3 -13.8 24.7 61 61 A D H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 108.2 51.3 -60.2 -44.5 43.2 -14.3 26.8 62 62 A E H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 110.8 49.7 -61.8 -37.9 42.5 -10.6 26.9 63 63 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -34,-0.4 0.895 110.3 49.9 -66.5 -41.5 42.8 -10.4 23.1 64 64 A E H X S+ 0 0 72 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.856 109.4 51.9 -67.4 -33.1 40.5 -13.3 22.7 65 65 A K H X S+ 0 0 138 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.973 110.0 47.0 -67.4 -48.0 38.0 -11.7 25.0 66 66 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.896 112.2 54.9 -53.1 -43.5 38.0 -8.4 23.1 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.911 104.5 50.0 -61.8 -46.3 37.7 -10.5 19.9 68 68 A N H X S+ 0 0 84 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.939 111.6 50.3 -61.2 -41.0 34.6 -12.3 21.0 69 69 A Q H X S+ 0 0 91 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.928 111.0 47.4 -60.5 -45.7 33.0 -9.0 21.9 70 70 A D H X S+ 0 0 37 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.867 112.2 50.6 -63.0 -37.6 33.9 -7.5 18.5 71 71 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 3,-0.2 0.943 110.3 49.3 -64.5 -48.2 32.5 -10.6 16.7 72 72 A D H X S+ 0 0 80 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.901 109.6 52.5 -56.2 -40.3 29.3 -10.5 18.6 73 73 A A H X S+ 0 0 46 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.871 107.8 50.1 -63.0 -41.7 29.0 -6.8 17.8 74 74 A A H X S+ 0 0 6 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.943 114.5 45.5 -63.1 -49.2 29.4 -7.4 14.0 75 75 A V H X S+ 0 0 22 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.945 114.8 45.2 -58.3 -52.9 26.8 -10.1 14.1 76 76 A R H X S+ 0 0 117 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.908 111.9 55.5 -60.9 -36.5 24.3 -8.1 16.3 77 77 A G H X S+ 0 0 3 -4,-2.6 4,-0.6 -5,-0.2 -2,-0.2 0.912 108.4 47.2 -62.9 -43.9 25.0 -5.1 13.9 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 7,-0.3 0.961 113.4 48.2 -61.3 -50.3 24.0 -7.1 10.8 79 79 A L H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.698 114.2 46.8 -65.8 -22.8 20.9 -8.4 12.5 80 80 A R H 3< S+ 0 0 174 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.435 93.9 92.3 -94.0 -8.0 19.9 -4.9 13.6 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.5 -6,-0.2 3,-0.3 0.825 101.3 67.6 -84.6 -37.2 22.1 -5.9 6.0 85 85 A K H X S+ 0 0 79 -4,-2.6 4,-3.3 -7,-0.3 5,-0.2 0.924 98.3 49.1 -54.4 -49.1 19.7 -8.3 7.7 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.842 112.9 49.7 -61.6 -33.7 17.7 -9.4 4.6 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-1.0 -3,-0.3 3,-0.4 0.949 111.7 46.6 -68.0 -53.2 21.0 -10.1 2.8 88 88 A Y H >< S+ 0 0 27 -4,-2.5 3,-1.3 1,-0.2 -3,-0.2 0.950 110.9 53.2 -52.4 -45.3 22.4 -12.1 5.6 89 89 A D H 3< S+ 0 0 78 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.0 53.9 -61.9 -27.7 19.1 -14.0 6.0 90 90 A S H 3< S+ 0 0 31 -4,-1.1 -1,-0.3 -3,-0.4 2,-0.2 0.683 95.9 89.9 -81.4 -14.8 19.3 -14.9 2.3 91 91 A L S << S- 0 0 5 -3,-1.3 31,-0.0 -4,-1.0 30,-0.0 -0.545 75.0-117.9 -87.2 153.8 22.8 -16.3 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.147 43.3 -94.1 -71.0 169.1 24.0 -19.8 3.1 93 93 A A H > S+ 0 0 70 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.849 121.0 49.1 -62.5 -35.7 26.2 -20.4 6.1 94 94 A V H >> S+ 0 0 31 2,-0.2 4,-0.8 62,-0.2 3,-0.7 0.954 112.3 46.3 -68.5 -50.9 29.5 -20.0 4.3 95 95 A R H >> S+ 0 0 24 1,-0.3 4,-1.6 2,-0.2 3,-0.7 0.842 102.8 67.1 -62.2 -30.4 28.7 -16.7 2.6 96 96 A R H 3X S+ 0 0 76 -4,-2.4 4,-2.3 1,-0.3 -1,-0.3 0.910 95.8 55.0 -56.4 -40.2 27.3 -15.5 5.8 97 97 A C H S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.863 129.0 54.3 -48.6 -50.0 27.8 -1.7 9.5 109 109 A T H > S+ 0 0 117 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.950 108.1 47.0 -57.9 -53.2 27.7 1.6 8.1 110 110 A G H >< S+ 0 0 34 -4,-0.7 3,-0.6 1,-0.2 4,-0.2 0.889 114.8 45.7 -57.0 -48.7 30.4 1.1 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.7 1,-0.2 -1,-0.2 0.939 103.6 64.2 -63.9 -43.4 29.0 -2.3 4.3 112 112 A A H 3< S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 95.1 62.1 -52.9 -23.8 25.5 -0.9 4.1 113 113 A G T << S+ 0 0 55 -4,-0.9 2,-1.9 -3,-0.6 3,-0.3 0.607 74.2 88.7 -82.7 -4.2 26.6 1.4 1.5 114 114 A F <> + 0 0 41 -3,-2.7 4,-2.4 1,-0.2 5,-0.2 -0.341 56.1 159.5 -85.1 56.9 27.6 -1.2 -1.0 115 115 A T H > + 0 0 87 -2,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.875 64.0 48.2 -43.5 -55.9 24.1 -1.1 -2.2 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.902 113.8 45.9 -57.4 -48.2 24.6 -2.6 -5.6 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.852 109.5 55.2 -63.1 -43.4 26.7 -5.5 -4.4 118 118 A L H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.901 108.4 49.5 -57.6 -43.0 24.2 -6.2 -1.5 119 119 A R H X S+ 0 0 103 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.915 110.7 49.4 -63.6 -45.5 21.4 -6.5 -4.1 120 120 A M H <>S+ 0 0 24 -4,-2.0 5,-2.4 2,-0.2 -2,-0.2 0.905 110.2 51.5 -59.8 -39.7 23.5 -8.9 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-2.5 1,-0.2 -2,-0.2 0.969 109.0 50.1 -63.9 -47.0 24.2 -11.0 -3.3 122 122 A Q H 3<5S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 110.8 49.3 -60.9 -33.5 20.6 -11.2 -2.4 123 123 A Q T 3<5S- 0 0 87 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.408 112.3-123.1 -84.7 3.4 19.8 -12.2 -5.8 124 124 A K T < 5 + 0 0 100 -3,-2.5 2,-1.2 1,-0.2 -3,-0.2 0.754 61.7 145.8 61.2 31.5 22.5 -14.8 -5.7 125 125 A R >< + 0 0 121 -5,-2.4 4,-2.7 1,-0.2 -1,-0.2 -0.733 21.6 173.7 -97.3 76.5 24.3 -13.4 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.884 68.2 46.6 -57.2 -48.4 27.6 -14.4 -7.4 127 127 A D H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 113.9 48.3 -61.9 -47.8 29.9 -13.5 -10.3 128 128 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.876 112.0 50.5 -60.3 -43.7 28.3 -10.2 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.875 107.1 53.1 -59.3 -43.2 28.6 -9.4 -7.2 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.896 110.6 49.4 -62.6 -39.6 32.3 -10.4 -7.1 131 131 A V H X S+ 0 0 88 -4,-2.0 4,-0.6 2,-0.2 3,-0.3 0.914 112.9 44.6 -65.5 -46.7 32.9 -8.0 -9.9 132 132 A N H >< S+ 0 0 44 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.901 108.9 56.6 -68.6 -37.9 31.0 -5.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.837 101.0 59.8 -58.2 -38.4 32.7 -5.7 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.7 -3,-0.3 -1,-0.2 0.670 86.8 76.7 -67.8 -19.7 36.1 -5.3 -6.4 135 135 A K S << S+ 0 0 154 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.515 81.1 97.9 -90.1 67.6 35.4 -1.8 -7.6 136 136 A S S > S- 0 0 19 -2,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.973 84.4-116.1-147.3 160.6 35.9 -0.3 -4.2 137 137 A R H > S+ 0 0 139 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.912 115.9 63.8 -60.7 -41.7 38.5 1.5 -2.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 105.7 41.6 -45.0 -53.5 38.3 -1.6 0.2 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.909 114.9 50.3 -65.5 -43.8 39.6 -3.8 -2.6 140 140 A N H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.8 42.7 -65.8 -35.7 42.3 -1.4 -3.8 141 141 A Q H < S+ 0 0 103 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 131.4 18.9 -75.5 -44.5 43.6 -0.8 -0.2 142 142 A T S X S+ 0 0 22 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 -0.638 74.7 163.5-128.4 68.6 43.6 -4.4 1.1 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.847 69.7 50.2 -59.0 -41.3 43.5 -6.4 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.930 116.0 41.1 -69.0 -45.3 44.6 -9.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 115.3 51.7 -64.0 -42.0 42.1 -9.9 2.1 146 146 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.930 108.4 51.9 -62.1 -40.1 39.4 -8.5 -0.2 147 147 A K H X S+ 0 0 93 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.865 108.3 52.2 -60.8 -40.7 40.1 -11.3 -2.8 148 148 A R H X S+ 0 0 51 -4,-1.6 4,-1.7 2,-0.2 12,-0.2 0.965 113.6 41.6 -62.8 -48.2 39.8 -13.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.903 114.9 52.1 -63.7 -42.0 36.3 -12.5 1.1 150 150 A I H X S+ 0 0 13 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.931 109.1 49.7 -62.3 -45.7 35.2 -12.0 -2.5 151 151 A T H X S+ 0 0 33 -4,-2.9 4,-2.5 2,-0.2 5,-0.4 0.844 107.3 54.7 -61.6 -38.5 36.1 -15.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.937 112.4 43.5 -61.1 -43.3 34.2 -16.8 -0.4 153 153 A F H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.4 50.6 -67.0 -35.5 31.1 -14.9 -1.7 154 154 A R H < S+ 0 0 102 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.917 125.2 20.8 -68.7 -47.9 31.7 -16.1 -5.3 155 155 A T H < S- 0 0 48 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.631 87.3-133.3 -99.4 -24.1 32.1 -19.9 -4.6 156 156 A G S < S+ 0 0 16 -4,-1.9 2,-0.2 -5,-0.4 -62,-0.2 0.743 73.0 100.4 75.7 19.0 30.4 -20.4 -1.3 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.749 81.1-114.6-126.2 178.2 33.4 -22.5 -0.1 158 158 A W S >> S+ 0 0 23 -2,-0.2 3,-1.6 1,-0.2 4,-0.6 0.089 73.0 121.2-101.1 17.3 36.5 -22.0 2.1 159 159 A D H >> + 0 0 97 1,-0.2 3,-1.4 2,-0.2 4,-0.7 0.855 65.9 57.5 -49.9 -44.0 38.9 -22.5 -0.6 160 160 A A H 34 S+ 0 0 13 -3,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.661 112.5 42.5 -65.5 -16.7 40.6 -19.0 -0.3 161 161 A Y H <4 S+ 0 0 3 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.400 95.8 76.4-108.6 -3.1 41.5 -19.8 3.3 162 162 A K H << S+ 0 0 134 -3,-1.4 -2,-0.2 -4,-0.6 -3,-0.1 0.727 91.0 56.8 -84.1 -15.1 42.6 -23.4 2.9 163 163 A N < 0 0 135 -4,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.964 360.0 360.0 -62.3 -57.0 45.8 -22.2 1.4 164 164 A L 0 0 113 -4,-0.3 -2,-0.2 0, 0.0 -1,-0.1 0.760 360.0 360.0 -66.5 360.0 46.6 -20.1 4.5