==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-99 1D2Y . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 155.2 43.6 -1.9 9.2 2 2 A N > - 0 0 67 1,-0.0 4,-2.9 156,-0.0 3,-0.2 -0.944 360.0 -81.0-153.8 176.6 40.4 -0.7 10.9 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.8 1,-0.3 5,-0.3 0.835 125.2 51.1 -52.2 -38.3 38.3 2.3 11.4 4 4 A F H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.947 112.7 42.9 -66.9 -48.9 40.4 3.5 14.2 5 5 A E H > S+ 0 0 94 -3,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.856 114.3 53.4 -63.1 -38.7 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.3 0.958 111.2 42.6 -62.6 -55.5 42.1 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.850 108.4 60.6 -61.9 -29.7 40.7 7.8 10.9 8 8 A R H X S+ 0 0 101 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.906 106.3 47.3 -67.5 -30.2 43.9 8.3 12.8 9 9 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.955 115.3 45.0 -73.0 -44.7 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.805 124.3 31.0 -67.7 -31.3 43.1 11.1 8.1 11 11 A E H < S- 0 0 47 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.726 90.0-153.7-103.0 -25.7 42.9 13.2 11.1 12 12 A G < - 0 0 22 -4,-1.7 2,-0.3 -5,-0.4 -1,-0.2 -0.280 26.4 -85.2 79.3-169.7 46.2 13.1 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.908 41.8 174.7-148.4 118.0 46.7 13.7 16.5 14 14 A R E -A 28 0A 135 14,-2.1 14,-2.3 -2,-0.3 4,-0.1 -0.997 19.3-166.0-130.2 130.2 47.1 17.0 18.3 15 15 A L E S+ 0 0 61 -2,-0.4 43,-1.6 12,-0.2 2,-0.3 0.558 74.4 64.2 -89.9 -7.3 47.3 17.7 22.0 16 16 A K E S-C 57 0B 106 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.763 99.5 -90.3-119.2 149.7 46.8 21.4 21.8 17 17 A I E + 0 0 21 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.377 57.7 173.4 -52.4 143.8 43.8 23.2 20.6 18 18 A Y E -A 26 0A 29 8,-3.5 8,-3.6 -4,-0.1 2,-0.5 -0.921 34.8-103.6-146.4 172.7 44.1 23.8 16.9 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.3 6,-0.2 5,-0.0 -0.812 34.3-137.8 -98.5 130.8 42.2 25.1 13.9 20 20 A D > - 0 0 48 4,-4.0 3,-2.9 -2,-0.5 -1,-0.0 -0.216 40.0 -84.4 -77.8-174.9 40.8 22.6 11.4 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.711 135.3 49.5 -58.5 -23.8 41.0 23.0 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.317 125.7-105.6 -93.7 2.7 37.8 25.0 7.8 23 23 A G S < S+ 0 0 33 -3,-2.9 2,-0.3 1,-0.3 -2,-0.1 0.607 73.0 141.3 82.4 16.8 39.3 27.1 10.6 24 24 A Y - 0 0 73 1,-0.1 -4,-4.0 -5,-0.0 2,-0.3 -0.724 59.3-101.4 -95.8 149.7 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 36 9,-0.9 8,-3.0 11,-0.4 9,-1.5 -0.449 54.2 160.0 -72.4 126.1 38.8 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-3.6 -8,-3.5 -2,-0.3 2,-0.3 -0.899 19.0-166.4-139.2 166.5 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-2.2 4,-1.9 -2,-0.3 2,-0.3 -0.996 50.7 0.7-151.9 164.3 41.6 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-2.1 -2,-0.3 2,-0.8 -0.467 122.6 -4.4 71.2-127.7 42.9 15.5 19.7 29 29 A I T 4 S- 0 0 3 34,-0.3 -1,-0.2 -2,-0.3 -17,-0.1 -0.647 127.8 -53.3-106.3 73.1 42.0 13.3 16.8 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-0.9 -19,-0.3 -2,-0.2 0.692 84.4 159.6 66.4 28.5 39.7 15.5 14.8 31 31 A H E < -B 27 0A 35 -4,-1.9 -4,-2.2 1,-0.1 2,-0.3 -0.601 33.2-142.7 -86.1 106.2 37.4 16.3 17.8 32 32 A L E -B 26 0A 67 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.437 19.5-177.0 -67.5 130.9 35.6 19.5 16.8 33 33 A L E - 0 0 16 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.923 57.2 -28.7 -92.1 -47.3 35.1 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.5 -9,-0.9 2,-0.1 -1,-0.4 -0.946 34.5-134.8-165.5 154.1 33.1 24.6 18.3 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.533 73.9 110.9 -92.0 -6.0 32.4 26.6 15.2 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.379 73.8-130.5 -75.3 149.9 32.6 29.8 17.1 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.483 78.2 104.0 -72.6 -5.1 35.5 32.2 16.4 38 38 A S > - 0 0 49 1,-0.1 4,-1.9 -13,-0.0 5,-0.1 -0.697 55.2-162.4 -92.4 120.4 36.1 32.4 20.2 39 39 A L H > S+ 0 0 74 -2,-0.6 4,-2.4 1,-0.2 5,-0.1 0.793 95.5 54.0 -64.3 -28.7 39.1 30.6 21.7 40 40 A N H > S+ 0 0 112 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.951 103.5 53.6 -72.5 -45.3 37.5 30.9 25.1 41 41 A A H > S+ 0 0 33 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.927 112.2 49.3 -52.6 -34.5 34.4 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.3 0.902 109.3 48.1 -70.0 -43.9 36.7 26.6 22.7 43 43 A K H X S+ 0 0 56 -4,-2.4 4,-2.5 2,-0.2 11,-0.2 0.936 111.9 52.4 -65.2 -39.3 38.5 26.3 26.0 44 44 A S H X S+ 0 0 71 -4,-3.8 4,-2.6 2,-0.2 5,-0.3 0.940 109.5 45.8 -57.2 -57.1 35.2 26.2 27.7 45 45 A E H X S+ 0 0 68 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.905 112.5 54.5 -56.2 -43.1 33.8 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.934 108.6 45.6 -59.5 -43.4 37.1 21.6 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.5 5,-1.8 1,-0.2 4,-1.4 0.912 111.5 52.4 -68.6 -39.5 36.9 21.8 29.8 48 48 A K H <5S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.833 110.4 50.1 -55.8 -40.0 33.3 20.7 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.879 117.8 37.5 -69.6 -36.4 34.4 17.8 27.6 50 50 A M H <5S- 0 0 39 -4,-2.2 -1,-0.2 2,-0.3 -2,-0.2 0.559 100.1-129.0 -94.5 -11.7 37.2 16.7 29.9 51 51 A G T <5S+ 0 0 70 -4,-1.4 2,-0.3 -5,-0.2 -3,-0.2 0.899 80.0 73.5 66.1 35.1 35.6 17.5 33.2 52 52 A R S - 0 0 9 -2,-0.9 3,-0.9 -11,-0.2 -1,-0.2 0.742 31.7-143.2 -86.3 -29.7 42.6 21.9 30.8 55 55 A N T 3 S- 0 0 117 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.899 73.5 -59.6 58.8 40.8 44.0 25.2 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.593 117.3 99.0 65.8 18.4 43.7 24.0 26.2 57 57 A V B < +C 16 0B 64 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.988 44.2 176.1-136.2 139.5 45.9 21.0 26.5 58 58 A I - 0 0 6 -43,-1.6 2,-0.2 -2,-0.4 -30,-0.1 -0.850 27.9-107.0-132.4 177.0 45.1 17.3 27.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.513 33.5-106.1 -98.7 173.8 47.0 14.1 27.2 60 60 A K H > S+ 0 0 108 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.881 120.9 53.9 -62.9 -41.5 47.1 11.3 24.7 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.926 108.1 48.5 -60.5 -46.3 44.9 9.2 26.8 62 62 A E H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.926 110.7 51.8 -61.2 -43.7 42.3 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -34,-0.3 0.925 110.8 48.9 -57.0 -43.6 42.5 12.3 23.1 64 64 A E H X S+ 0 0 74 -4,-2.7 4,-2.4 2,-0.2 -1,-0.3 0.829 107.6 54.3 -66.2 -31.6 42.0 8.7 22.7 65 65 A K H X S+ 0 0 140 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.965 109.4 46.7 -71.0 -44.3 39.1 8.7 24.9 66 66 A L H X S+ 0 0 6 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.900 109.5 56.3 -56.0 -43.2 37.4 11.4 22.9 67 67 A F H X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.953 105.7 50.4 -60.6 -44.9 38.2 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.934 111.6 46.6 -56.4 -44.4 36.4 6.5 21.1 69 69 A Q H X S+ 0 0 102 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.917 111.6 52.5 -65.6 -41.6 33.4 8.3 22.0 70 70 A D H X S+ 0 0 32 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.894 109.6 48.3 -63.8 -35.2 33.4 10.1 18.6 71 71 A V H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.964 112.8 48.1 -68.3 -49.1 33.6 6.8 16.7 72 72 A D H X S+ 0 0 82 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.926 109.8 51.7 -57.3 -42.9 30.9 5.3 18.6 73 73 A A H X S+ 0 0 47 -4,-2.2 4,-3.2 -5,-0.3 -1,-0.2 0.934 108.0 52.6 -61.7 -44.5 28.7 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.973 109.7 47.9 -55.6 -50.7 29.2 8.2 14.4 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-2.9 1,-0.3 -1,-0.2 0.921 113.9 48.4 -57.2 -39.5 28.2 4.5 14.1 76 76 A R H X S+ 0 0 123 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.3 0.891 107.4 54.1 -71.7 -35.8 25.3 5.2 16.2 77 77 A G H >X S+ 0 0 2 -4,-3.2 4,-1.0 -5,-0.2 3,-0.6 0.961 110.1 48.3 -58.2 -51.6 24.3 8.3 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 7,-0.4 0.961 110.5 51.3 -48.4 -55.5 24.4 6.1 11.0 79 79 A L H 3< S+ 0 0 66 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.729 111.5 46.2 -62.3 -26.9 22.3 3.5 12.6 80 80 A R H << S+ 0 0 187 -4,-1.5 2,-0.6 -3,-0.6 -1,-0.3 0.491 93.4 97.2 -88.8 -13.3 19.7 5.9 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.3 0.830 99.8 65.8 -80.6 -43.1 22.1 6.1 6.2 85 85 A K H X S+ 0 0 86 -4,-3.7 4,-3.1 -7,-0.4 5,-0.2 0.919 99.6 49.5 -47.2 -50.0 21.2 2.8 7.8 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.860 111.2 50.7 -63.9 -32.0 20.2 1.0 4.8 87 87 A V H >> S+ 0 0 3 -4,-0.4 4,-1.1 -3,-0.3 3,-0.5 0.972 110.9 47.3 -67.9 -52.1 23.2 1.9 3.0 88 88 A Y H >< S+ 0 0 31 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.917 110.2 53.8 -55.6 -39.3 25.4 0.9 5.7 89 89 A D H 3< S+ 0 0 71 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.845 105.2 54.5 -68.8 -27.7 23.6 -2.4 6.1 90 90 A S H << S+ 0 0 36 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.699 97.5 87.8 -78.7 -15.6 24.1 -3.1 2.4 91 91 A L S << S- 0 0 7 -4,-1.1 31,-0.0 -3,-0.9 2,-0.0 -0.493 74.3-117.3 -87.3 165.9 27.8 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.232 44.2 -91.8 -83.7 173.7 30.8 -4.9 3.3 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.850 120.6 45.9 -60.7 -40.5 33.1 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 112.8 49.3 -69.5 -44.7 35.7 -2.1 4.5 95 95 A R H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.891 104.4 59.5 -65.4 -34.6 33.2 0.0 2.8 96 96 A R H X S+ 0 0 78 -4,-2.3 4,-3.1 1,-0.3 -1,-0.2 0.916 102.1 54.8 -52.6 -41.6 31.3 0.6 6.0 97 97 A A H X S+ 0 0 5 -4,-1.4 4,-2.6 1,-0.3 -1,-0.3 0.897 104.8 54.2 -60.4 -38.8 34.5 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.878 107.8 48.2 -64.6 -35.9 34.5 4.4 4.5 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.909 109.3 53.9 -68.9 -41.2 31.0 5.5 5.3 100 100 A I H X S+ 0 0 9 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.956 105.8 53.6 -56.1 -45.7 32.0 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.941 108.4 48.3 -53.7 -53.0 34.9 8.2 8.0 102 102 A M H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.917 112.8 49.1 -58.1 -40.2 32.7 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.943 109.2 51.9 -65.7 -39.4 30.2 10.7 8.8 104 104 A F H < S+ 0 0 32 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.8 41.8 -60.3 -43.5 32.9 11.5 11.4 105 105 A Q H < S+ 0 0 58 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.890 131.1 18.1 -73.2 -37.1 34.3 14.3 9.2 106 106 A M H X S- 0 0 51 -4,-2.7 4,-0.7 -5,-0.3 -2,-0.2 0.560 101.5-104.0-124.9 -2.8 31.1 15.8 8.2 107 107 A G H X - 0 0 30 -4,-3.1 4,-2.5 -5,-0.4 5,-0.2 0.039 32.8 -89.6 94.9 141.2 28.2 14.9 10.1 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 126.5 50.8 -65.5 -30.5 25.4 12.7 9.6 109 109 A T H > S+ 0 0 119 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.940 107.1 52.0 -72.3 -44.8 23.5 15.4 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-1.0 1,-0.2 -2,-0.2 0.944 114.2 45.4 -56.5 -46.6 26.2 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.906 102.0 61.1 -67.2 -39.4 26.5 12.8 4.6 112 112 A A H 3< S+ 0 0 16 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.731 94.5 69.8 -63.0 -17.7 22.8 12.1 4.2 113 113 A G T << S+ 0 0 59 -4,-1.0 2,-0.7 -3,-1.0 3,-0.3 0.505 74.4 81.9 -77.0 -3.9 22.9 14.9 1.5 114 114 A F <> + 0 0 35 -3,-2.2 4,-2.9 1,-0.2 5,-0.3 -0.264 58.8 153.7 -91.5 49.2 24.9 12.8 -1.0 115 115 A T H > + 0 0 81 -2,-0.7 4,-1.6 1,-0.3 -1,-0.2 0.844 65.1 47.7 -48.2 -47.4 21.6 11.2 -1.9 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.920 112.6 46.5 -66.0 -42.8 22.6 10.3 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-3.2 1,-0.2 5,-0.3 0.925 109.8 56.3 -63.2 -41.9 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.901 105.7 51.0 -52.6 -44.2 24.3 6.8 -1.5 119 119 A R H X S+ 0 0 127 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.945 111.1 47.7 -64.6 -38.9 21.9 5.3 -4.0 120 120 A M H <>S+ 0 0 28 -4,-1.8 5,-2.2 1,-0.2 4,-0.4 0.895 109.9 51.9 -69.2 -41.6 24.7 4.2 -6.2 121 121 A L H ><5S+ 0 0 3 -4,-3.2 3,-1.7 1,-0.2 -1,-0.2 0.916 107.7 53.6 -61.1 -38.2 26.6 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.895 107.9 49.6 -64.5 -34.8 23.6 0.8 -2.4 123 123 A Q T 3<5S- 0 0 90 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.420 113.6-118.5 -83.3 2.4 23.3 -0.6 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.7 2,-1.6 -4,-0.4 -3,-0.2 0.725 62.7 148.9 63.9 32.4 27.0 -1.6 -5.8 125 125 A R >< + 0 0 110 -5,-2.2 4,-2.2 1,-0.2 5,-0.2 -0.621 20.0 175.1 -94.2 77.5 27.8 0.6 -8.8 126 126 A W H > + 0 0 52 -2,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.908 68.9 43.0 -56.2 -52.0 31.3 1.2 -7.6 127 127 A D H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 114.4 51.1 -66.0 -36.2 32.8 3.3 -10.4 128 128 A E H > S+ 0 0 106 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.907 109.6 48.6 -68.1 -43.3 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.932 107.5 55.6 -63.4 -39.6 29.5 6.4 -7.2 130 130 A A H X S+ 0 0 13 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.926 109.8 47.6 -58.8 -39.2 33.2 7.2 -7.1 131 131 A V H >X S+ 0 0 97 -4,-2.0 3,-0.9 1,-0.2 4,-0.6 0.985 113.7 46.3 -67.9 -47.6 32.6 9.6 -9.9 132 132 A N H >< S+ 0 0 40 -4,-3.1 3,-1.3 1,-0.3 -2,-0.2 0.884 108.0 56.7 -61.5 -39.0 29.5 11.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.7 6,-0.3 -5,-0.3 -1,-0.3 0.874 100.3 59.8 -63.0 -29.5 31.2 11.4 -4.9 134 134 A A H << S+ 0 0 28 -4,-1.2 2,-2.0 -3,-0.9 -1,-0.3 0.686 84.7 79.8 -74.2 -15.3 34.0 13.5 -6.4 135 135 A K S << S+ 0 0 166 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 -0.529 80.1 95.7 -89.3 76.2 31.6 16.2 -7.6 136 136 A S S > S- 0 0 18 -2,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.999 85.3-112.7-157.6 158.0 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.898 115.3 62.7 -56.0 -42.5 32.7 20.6 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 8,-0.3 0.948 106.4 42.8 -48.5 -48.6 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 64 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.1 50.5 -69.2 -42.5 36.3 16.6 -2.6 140 140 A N H < S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 116.6 40.5 -64.3 -34.5 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 105 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.895 130.8 22.9 -83.2 -37.4 38.3 21.2 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 -0.493 72.9 161.8-130.9 69.2 40.0 18.1 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.827 69.5 49.0 -56.9 -47.9 41.1 16.3 -2.1 144 144 A N H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.940 116.7 41.7 -64.9 -42.4 43.7 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.967 114.1 51.6 -66.7 -50.0 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 -8,-0.3 5,-0.2 0.906 108.2 54.8 -51.6 -42.3 38.5 12.5 -0.2 147 147 A K H X S+ 0 0 85 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.877 105.6 51.4 -59.6 -42.9 40.5 10.5 -2.7 148 148 A R H X S+ 0 0 68 -4,-1.7 4,-1.5 -3,-0.3 -1,-0.2 0.948 112.4 44.1 -62.8 -43.3 41.5 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.891 113.1 52.2 -64.3 -43.4 37.9 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.903 107.8 50.4 -60.9 -39.8 36.6 7.2 -2.5 151 151 A T H X S+ 0 0 39 -4,-2.2 4,-3.1 1,-0.2 6,-0.4 0.832 107.9 56.2 -65.8 -31.4 39.1 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.920 110.1 42.1 -68.0 -43.2 38.1 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.9 52.0 -69.3 -37.4 34.5 2.7 -1.7 154 154 A R H < S+ 0 0 101 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.943 123.0 24.6 -65.6 -44.7 35.5 2.0 -5.2 155 155 A T H < S- 0 0 44 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.542 84.5-136.7 -96.8 -19.2 37.7 -1.0 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.2 1,-0.2 -62,-0.2 0.671 74.1 102.2 66.8 14.9 36.5 -2.4 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -2,-0.2 -0.800 79.8-121.2-121.5 173.2 40.2 -2.8 -0.1 158 158 A W S >> S+ 0 0 46 -2,-0.2 3,-3.0 1,-0.2 4,-0.7 0.291 71.4 121.5 -92.8 6.9 42.6 -0.7 2.2 159 159 A D G >4 + 0 0 94 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.787 66.9 57.9 -44.7 -34.2 45.1 -0.0 -0.6 160 160 A A G 34 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.653 108.6 46.6 -75.6 -15.3 44.8 3.8 -0.3 161 161 A Y G <4 0 0 19 -3,-3.0 -1,-0.3 -13,-0.1 -2,-0.2 0.477 360.0 360.0-106.9 0.7 45.8 3.6 3.2 162 162 A K << 0 0 179 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.1 0.879 360.0 360.0 -87.0 360.0 48.8 1.3 2.7