==== 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 25-JUN-99 1QS5 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.LIU,W.A.BAASE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8520.0 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 . 6 3.7 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 . 84 51.9 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 0 3 0 0 1 1 1 0 0 0 0 0 1 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 81 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 149.1 43.2 -2.0 9.0 2 2 A N > - 0 0 66 1,-0.1 4,-4.0 95,-0.0 5,-0.3 -0.971 360.0 -89.9-152.6 171.6 40.3 -0.5 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.789 120.9 51.7 -47.1 -41.0 38.3 2.4 11.4 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.948 117.4 38.4 -67.3 -46.8 40.4 3.6 14.3 5 5 A E H > S+ 0 0 100 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.964 116.7 49.9 -69.0 -47.3 43.5 3.4 12.3 6 6 A M H >X S+ 0 0 0 -4,-4.0 4,-2.2 1,-0.2 3,-0.6 0.964 114.9 44.9 -56.5 -45.5 42.1 4.6 9.1 7 7 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.5 -5,-0.3 5,-0.3 0.899 108.5 55.1 -65.2 -40.9 40.6 7.6 10.9 8 8 A R H 3X S+ 0 0 103 -4,-2.5 4,-1.1 1,-0.2 -1,-0.3 0.677 107.6 54.1 -66.7 -19.1 43.7 8.4 12.9 9 9 A I H << S+ 0 0 86 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.879 114.1 37.9 -83.6 -40.6 45.4 8.5 9.5 10 10 A D H < S+ 0 0 18 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.854 125.6 39.2 -79.0 -28.7 43.0 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-3.5 19,-0.3 -5,-0.2 -3,-0.2 0.887 89.1-156.6 -88.6 -33.6 42.7 12.9 11.2 12 12 A G < - 0 0 24 -4,-1.1 2,-0.4 -5,-0.3 -1,-0.1 -0.255 27.1 -85.8 83.5 178.5 46.1 13.0 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 44.2 174.1-136.4 117.6 46.7 13.5 16.5 14 14 A R E -A 28 0A 131 14,-0.9 14,-2.0 -2,-0.4 4,-0.1 -0.976 16.8-168.9-123.8 133.8 47.0 17.0 18.0 15 15 A L E S+ 0 0 60 -2,-0.4 43,-1.8 12,-0.2 2,-0.4 0.508 70.7 58.5 -99.9 -2.0 47.2 17.7 21.6 16 16 A K E S-C 57 0B 86 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.937 100.7 -86.6-123.2 147.0 46.7 21.3 21.7 17 17 A I E + 0 0 18 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.160 59.5 169.1 -48.7 139.8 43.7 23.1 20.4 18 18 A Y E -A 26 0A 26 8,-2.4 8,-4.3 -4,-0.1 2,-0.4 -0.922 34.6-106.6-146.9 168.1 44.1 23.8 16.8 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.818 32.3-147.1-101.4 141.8 42.1 25.0 13.9 20 20 A D > - 0 0 54 4,-2.1 3,-2.8 -2,-0.4 -1,-0.1 -0.143 46.6 -62.5 -92.6-167.6 41.0 22.6 11.1 21 21 A T T 3 S+ 0 0 95 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.723 138.9 38.7 -50.4 -24.0 40.4 22.9 7.3 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.241 120.4-103.9-111.0 6.5 37.7 25.5 8.0 23 23 A G S < S+ 0 0 28 -3,-2.8 2,-0.3 1,-0.3 -2,-0.1 0.740 70.4 149.5 77.8 22.6 39.4 27.3 10.9 24 24 A Y - 0 0 89 1,-0.1 -4,-2.1 13,-0.0 2,-0.4 -0.730 56.4-100.8 -95.5 145.4 37.2 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-3.3 11,-0.5 9,-1.2 -0.395 57.3 162.1 -62.5 111.9 38.6 25.0 17.0 26 26 A T E -AB 18 32A 3 -8,-4.3 -8,-2.4 -2,-0.4 2,-0.3 -0.786 20.1-163.7-132.0 175.5 39.5 21.3 17.3 27 27 A I E > - B 0 31A 0 4,-1.2 4,-2.1 -2,-0.2 -12,-0.2 -0.994 46.8 -10.6-162.7 155.4 41.5 18.8 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.0 2,-1.6 -2,-0.3 -14,-0.9 -0.281 120.9 -2.8 59.5-133.6 43.1 15.4 19.4 29 29 A I T 4 S- 0 0 4 34,-0.3 -1,-0.2 -16,-0.2 -17,-0.1 -0.537 131.0 -50.3 -90.8 77.9 42.0 13.1 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.6 2,-1.3 -19,-0.3 -2,-0.2 0.605 84.9 157.9 75.6 7.1 39.5 15.2 14.8 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.2 1,-0.0 -1,-0.2 -0.526 30.1-152.2 -73.0 94.2 37.5 16.2 18.0 32 32 A L E +B 26 0A 68 -2,-1.3 -6,-0.3 -6,-0.2 3,-0.1 -0.410 17.4 179.7 -67.1 134.7 35.7 19.4 16.9 33 33 A L E - 0 0 15 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.875 54.1 -11.0-103.2 -51.3 35.0 21.7 19.8 34 34 A T E -B 25 0A 25 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.965 35.9-143.5-147.2 164.4 33.3 24.8 18.5 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 -3,-0.0 0.400 70.9 110.0-107.2 2.0 32.4 26.7 15.5 36 36 A S S S- 0 0 34 2,-0.2 -11,-0.5 1,-0.1 -2,-0.1 -0.477 75.4-127.5 -82.0 153.4 32.9 29.9 17.2 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.308 82.5 98.1 -74.6 1.9 35.7 32.3 16.3 38 38 A S > - 0 0 49 1,-0.1 4,-2.7 -13,-0.0 -2,-0.2 -0.901 59.5-158.6-110.8 126.3 36.7 32.4 20.0 39 39 A L H > S+ 0 0 59 -2,-0.5 4,-5.8 1,-0.2 5,-0.2 0.877 95.4 59.2 -55.1 -46.7 39.3 30.4 21.7 40 40 A N H > S+ 0 0 124 2,-0.3 4,-5.6 1,-0.2 -1,-0.2 0.921 106.8 46.6 -50.7 -49.6 37.7 30.8 25.0 41 41 A A H > S+ 0 0 25 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.973 115.5 45.5 -56.3 -53.4 34.6 29.2 23.8 42 42 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.3 0.938 116.0 46.3 -53.3 -51.9 36.7 26.6 22.4 43 43 A K H X S+ 0 0 57 -4,-5.8 4,-1.9 1,-0.2 -2,-0.2 0.933 111.4 52.9 -54.8 -50.9 38.7 26.5 25.7 44 44 A S H X S+ 0 0 83 -4,-5.6 4,-1.8 1,-0.2 -1,-0.2 0.900 108.8 50.3 -46.3 -55.2 35.4 26.5 27.6 45 45 A E H X S+ 0 0 69 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.852 106.9 51.8 -58.3 -41.9 34.2 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.4 0.887 109.0 52.6 -63.7 -40.0 37.3 21.3 26.0 47 47 A D H X>S+ 0 0 32 -4,-1.9 5,-1.9 1,-0.2 4,-1.4 0.929 109.4 46.7 -64.7 -42.8 37.1 21.7 29.7 48 48 A K H <5S+ 0 0 152 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.832 115.2 49.2 -65.8 -32.9 33.5 20.7 29.8 49 49 A A H <5S+ 0 0 45 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.837 118.7 34.0 -75.1 -40.5 34.3 17.7 27.6 50 50 A I H <5S- 0 0 38 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.650 108.4-127.0 -87.3 -23.0 37.3 16.3 29.4 51 51 A G T <5S+ 0 0 57 -4,-1.4 2,-0.3 -5,-0.4 -3,-0.2 0.950 73.7 68.2 72.4 58.5 35.8 17.4 32.6 52 52 A R S - 0 0 66 -2,-0.3 4,-2.9 1,-0.1 3,-0.2 -0.617 31.1-111.1 -95.6 162.9 46.8 14.1 27.2 60 60 A K H > S+ 0 0 99 -2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.917 118.8 58.7 -52.1 -46.6 47.0 11.4 24.5 61 61 A D H > S+ 0 0 121 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.918 109.9 42.2 -48.0 -51.7 44.9 9.1 26.8 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 110.7 55.8 -66.3 -42.7 42.1 11.7 26.8 63 63 A A H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -34,-0.3 0.963 109.3 46.8 -57.7 -49.2 42.4 12.4 23.2 64 64 A E H X S+ 0 0 81 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.817 106.5 62.6 -62.7 -25.9 41.9 8.6 22.5 65 65 A K H X S+ 0 0 121 -4,-1.2 4,-1.4 -5,-0.4 3,-0.4 0.996 104.2 42.1 -65.0 -52.0 39.1 8.9 24.8 66 66 A L H X S+ 0 0 5 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.869 108.4 62.1 -54.5 -43.0 37.1 11.4 22.7 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.894 104.5 48.0 -48.7 -49.5 38.0 9.4 19.6 68 68 A N H X S+ 0 0 92 -4,-1.8 4,-2.6 -3,-0.4 -1,-0.2 0.861 114.5 44.9 -58.8 -42.7 36.1 6.3 21.1 69 69 A Q H X S+ 0 0 92 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.814 115.1 50.6 -72.0 -33.8 33.1 8.4 22.0 70 70 A D H X S+ 0 0 38 -4,-3.0 4,-1.7 -5,-0.2 -2,-0.2 0.885 112.5 42.9 -73.3 -41.6 33.3 9.9 18.7 71 71 A V H X S+ 0 0 7 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.953 115.4 50.7 -68.2 -47.9 33.5 6.7 16.8 72 72 A D H X S+ 0 0 86 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.911 110.2 48.6 -55.6 -43.7 30.9 5.2 18.9 73 73 A A H X S+ 0 0 43 -4,-1.9 4,-3.7 2,-0.2 -1,-0.2 0.902 109.1 54.1 -62.9 -41.0 28.6 8.1 18.3 74 74 A A H X S+ 0 0 11 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.963 109.1 46.7 -59.2 -57.7 29.1 8.1 14.6 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.953 113.7 49.5 -53.6 -49.6 28.2 4.4 14.2 76 76 A R H X S+ 0 0 102 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.953 109.4 50.9 -55.3 -50.2 25.2 5.0 16.3 77 77 A G H >< S+ 0 0 5 -4,-3.7 3,-1.8 1,-0.2 -2,-0.2 0.946 110.4 48.8 -51.5 -51.4 24.2 8.0 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 7,-0.3 0.960 108.8 57.0 -52.4 -47.6 24.5 6.0 11.0 79 79 A L H 3< S+ 0 0 73 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.598 109.3 43.0 -60.1 -16.2 22.4 3.3 12.7 80 80 A R T << S+ 0 0 181 -3,-1.8 2,-0.5 -4,-0.7 -1,-0.3 -0.067 91.6 96.9-124.4 32.1 19.5 5.6 13.5 81 81 A N <> - 0 0 22 -3,-1.5 4,-2.8 -5,-0.1 3,-0.2 -0.987 62.8-147.9-122.2 128.5 19.3 7.5 10.3 82 82 A A T 4 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.543 98.4 51.1 -72.3 -10.5 16.8 6.4 7.6 83 83 A K T 4 S+ 0 0 84 3,-0.1 4,-0.4 -5,-0.1 -1,-0.2 0.732 121.6 30.4 -99.1 -18.6 18.9 7.5 4.7 84 84 A L T > S+ 0 0 0 -3,-0.2 4,-3.2 -6,-0.2 5,-0.4 0.809 99.4 73.9-104.1 -38.7 22.0 5.6 5.9 85 85 A K H X S+ 0 0 99 -4,-2.8 4,-2.3 -7,-0.3 5,-0.1 0.904 102.6 45.8 -44.1 -51.4 20.9 2.6 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.941 113.8 47.7 -59.6 -49.0 20.0 0.9 4.6 87 87 A V H >> S+ 0 0 0 -4,-0.4 4,-1.9 1,-0.2 3,-0.5 0.988 112.5 49.4 -54.2 -59.4 23.1 1.9 2.8 88 88 A Y H 3< S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.2 3,-0.2 0.885 110.4 51.8 -38.9 -54.7 25.2 0.8 5.7 89 89 A D H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.876 108.7 48.8 -55.0 -45.8 23.4 -2.5 5.9 90 90 A S H << S+ 0 0 46 -4,-2.3 -1,-0.2 -3,-0.5 -2,-0.2 0.770 98.7 88.9 -70.9 -28.5 23.8 -3.4 2.2 91 91 A L S < S- 0 0 4 -4,-1.9 2,-0.0 -5,-0.3 31,-0.0 -0.374 75.8-119.7 -74.5 155.7 27.5 -2.6 2.3 92 92 A D > - 0 0 57 -2,-0.1 4,-2.2 1,-0.0 5,-0.2 -0.166 40.5 -87.6 -80.9 175.0 30.4 -4.9 3.1 93 93 A A H > S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.804 122.9 46.4 -57.9 -37.7 32.9 -4.4 6.0 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.883 114.2 47.5 -75.5 -39.5 35.4 -2.3 4.2 95 95 A R H > S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.847 105.8 58.6 -71.4 -28.4 32.9 -0.0 2.8 96 96 A R H >X S+ 0 0 70 -4,-2.2 4,-2.1 1,-0.3 3,-0.7 0.965 99.8 57.2 -63.5 -46.7 31.0 0.4 6.0 97 97 A A H 3X S+ 0 0 9 -4,-1.5 4,-2.8 1,-0.3 -1,-0.3 0.874 104.3 56.3 -50.3 -34.9 34.1 1.7 7.6 98 98 A L H 3X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.866 102.2 51.4 -66.4 -39.6 34.0 4.3 4.8 99 99 A L H S+ 0 0 56 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.960 128.4 48.0 -63.8 -45.4 25.5 12.6 9.5 109 109 A T H 4 S+ 0 0 117 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.907 108.9 56.6 -58.4 -41.6 23.2 15.2 8.1 110 110 A G H >4 S+ 0 0 32 -4,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.964 113.1 38.8 -58.0 -51.0 26.1 16.2 6.0 111 111 A V H >< S+ 0 0 1 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.861 100.8 70.7 -69.2 -36.4 26.5 12.8 4.5 112 112 A A T 3< S+ 0 0 16 -4,-3.4 -1,-0.2 1,-0.3 3,-0.2 0.627 88.7 71.1 -59.0 -4.8 22.7 12.0 4.3 113 113 A G T < + 0 0 54 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.3 0.478 68.6 89.6 -90.4 0.1 22.7 14.6 1.4 114 114 A F <> + 0 0 39 -3,-2.4 4,-3.5 1,-0.2 5,-0.4 -0.117 52.3 154.1 -86.5 39.0 24.6 12.4 -1.0 115 115 A T H > + 0 0 60 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.790 69.8 39.9 -30.3 -63.0 21.3 11.1 -2.2 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.938 118.8 48.4 -59.8 -46.5 22.4 10.1 -5.7 117 117 A S H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.798 109.5 53.2 -59.0 -38.9 25.8 8.8 -4.4 118 118 A L H X S+ 0 0 8 -4,-3.5 4,-2.6 2,-0.2 -1,-0.2 0.846 109.2 49.8 -68.2 -37.3 24.0 6.9 -1.7 119 119 A R H X S+ 0 0 99 -4,-1.9 4,-2.7 -5,-0.4 5,-0.2 0.960 107.5 50.7 -69.2 -48.9 21.8 5.2 -4.3 120 120 A M H X>S+ 0 0 33 -4,-2.6 5,-2.7 1,-0.2 4,-0.8 0.965 111.1 52.1 -50.2 -49.0 24.6 4.2 -6.5 121 121 A L H ><5S+ 0 0 3 -4,-1.8 3,-2.4 1,-0.2 -1,-0.2 0.951 105.1 53.6 -50.9 -52.8 26.1 2.7 -3.5 122 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.913 110.1 48.3 -51.6 -42.4 23.0 0.8 -2.6 123 123 A Q H 3<5S- 0 0 107 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.573 117.4-117.8 -78.1 -3.4 23.0 -0.7 -6.1 124 124 A K T <<5 + 0 0 92 -3,-2.4 2,-1.0 -4,-0.8 -3,-0.2 0.843 59.9 155.5 70.0 39.0 26.7 -1.5 -5.6 125 125 A R >< + 0 0 64 -5,-2.7 4,-3.2 -6,-0.2 5,-0.2 -0.664 12.2 172.1-102.4 77.1 27.6 0.8 -8.5 126 126 A W H > S+ 0 0 52 -2,-1.0 4,-2.1 2,-0.2 5,-0.3 0.855 70.1 43.2 -48.1 -62.6 31.2 1.6 -7.6 127 127 A D H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 119.0 45.2 -59.9 -43.1 32.6 3.5 -10.5 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.981 112.0 50.2 -62.0 -60.8 29.5 5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.803 110.6 52.0 -48.7 -32.3 29.2 6.3 -7.2 130 130 A A H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.862 107.5 50.8 -75.6 -36.5 32.8 7.4 -7.2 131 131 A V H X S+ 0 0 87 -4,-1.9 4,-0.5 -3,-0.4 -2,-0.2 0.986 113.1 46.3 -63.4 -47.5 32.4 9.7 -10.0 132 132 A N H >< S+ 0 0 43 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.922 108.0 56.7 -55.8 -46.7 29.4 11.2 -8.2 133 133 A L H 3< S+ 0 0 3 -4,-2.4 6,-0.3 1,-0.3 -1,-0.2 0.891 100.0 58.8 -53.0 -45.8 31.3 11.5 -5.0 134 134 A A H 3< S+ 0 0 27 -4,-2.0 2,-1.3 1,-0.2 -1,-0.3 0.579 86.1 79.9 -61.2 -16.2 34.0 13.6 -6.6 135 135 A K S << S+ 0 0 161 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.2 -0.423 79.9 101.0 -92.1 60.8 31.5 16.2 -7.6 136 136 A S S > S- 0 0 17 -2,-1.3 4,-2.8 1,-0.1 5,-0.3 -0.978 81.1-123.1-143.8 156.5 31.5 17.7 -4.2 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-3.2 1,-0.2 5,-0.1 0.861 116.3 60.9 -61.7 -34.3 32.8 20.6 -2.1 138 138 A W H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 8,-0.3 0.898 106.7 43.1 -54.3 -51.0 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 65 -6,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.926 118.9 42.9 -65.3 -48.3 36.2 16.5 -2.8 140 140 A N H < S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.831 116.8 49.6 -69.1 -28.7 37.4 20.0 -4.0 141 141 A Q H < S+ 0 0 93 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.888 128.6 15.6 -76.9 -43.8 38.0 21.1 -0.4 142 142 A T S X S+ 0 0 25 -4,-2.2 4,-1.8 -5,-0.1 3,-0.5 -0.581 75.1 172.4-132.1 64.3 40.1 18.2 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.853 69.7 51.4 -41.6 -63.8 41.1 16.4 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -5,-0.0 0.886 111.9 48.2 -50.7 -41.2 43.6 13.7 -0.8 145 145 A R H >> S+ 0 0 21 -3,-0.5 3,-2.3 2,-0.2 4,-1.4 0.994 110.6 48.8 -61.7 -67.3 41.2 12.6 1.8 146 146 A A H 3X S+ 0 0 0 -4,-1.8 4,-3.6 -8,-0.3 5,-0.3 0.844 108.1 58.1 -34.1 -49.0 38.2 12.2 -0.7 147 147 A K H 3X S+ 0 0 97 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.3 0.851 103.7 49.7 -56.8 -38.8 40.5 10.3 -3.0 148 148 A R H > S+ 0 0 41 -2,-0.3 3,-0.6 1,-0.2 4,-0.5 0.050 73.0 118.2 -88.8 25.9 42.7 -0.9 2.0 159 159 A D G >4 + 0 0 93 1,-0.3 3,-3.6 2,-0.2 -1,-0.2 0.978 67.6 54.3 -57.9 -56.9 45.3 -0.1 -0.7 160 160 A A G 34 S+ 0 0 45 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.731 116.3 43.9 -46.7 -27.7 44.9 3.7 -0.7 161 161 A Y G <4 0 0 16 -3,-0.6 -1,-0.3 -13,-0.1 -2,-0.2 0.419 360.0 360.0 -98.7 -5.0 45.5 3.3 3.0 162 162 A K << 0 0 188 -3,-3.6 -3,-0.1 -4,-0.5 0, 0.0 -0.281 360.0 360.0 -81.1 360.0 48.4 0.7 2.7