==== 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 21-DEC-99 1C6C . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8685.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.8 43.4 -1.9 9.2 2 2 A N > - 0 0 66 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.891 360.0 -76.8-158.1 179.0 40.1 -0.7 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.815 125.1 49.8 -54.7 -43.1 38.0 2.4 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 114.7 42.6 -66.4 -47.5 40.1 3.7 14.1 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.866 114.6 53.0 -65.3 -38.2 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.945 113.2 41.0 -62.6 -52.6 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.841 108.9 61.0 -68.1 -27.3 40.6 7.8 10.9 8 8 A R H X S+ 0 0 101 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.889 107.7 46.3 -66.5 -32.2 43.8 8.1 12.9 9 9 A I H < S+ 0 0 87 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.931 115.8 44.2 -73.4 -44.5 45.6 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.829 124.3 31.7 -71.4 -30.1 43.2 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.2 19,-0.4 -5,-0.2 -1,-0.2 0.666 91.5-152.4-102.0 -24.0 42.8 13.2 11.1 12 12 A G < - 0 0 22 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 -0.178 24.4 -87.1 75.7-174.3 46.2 13.0 12.9 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 42.3 173.0-139.6 122.2 46.7 13.5 16.5 14 14 A R E -A 28 0A 138 14,-1.7 14,-2.7 -2,-0.4 4,-0.1 -0.995 18.6-163.2-134.5 129.5 47.2 16.9 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.365 74.7 60.7 -91.5 0.2 47.4 17.5 22.0 16 16 A K E S-C 57 0B 87 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.895 101.6 -85.2-127.6 149.8 46.8 21.2 21.9 17 17 A I E + 0 0 14 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.330 58.6 170.2 -52.7 135.3 43.8 23.1 20.6 18 18 A Y E -A 26 0A 23 8,-3.0 8,-2.7 -4,-0.1 2,-0.5 -0.871 36.1-104.1-142.4 171.7 44.2 23.7 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.867 33.8-140.6-102.0 136.6 42.2 25.0 13.8 20 20 A D > - 0 0 51 4,-2.8 3,-1.9 -2,-0.5 -1,-0.1 -0.062 42.9 -77.8 -77.3-172.6 41.0 22.3 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 135.5 49.8 -63.3 -21.4 40.9 22.7 7.6 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.433 123.7-104.0 -95.6 -1.6 37.8 25.0 7.9 23 23 A G S < S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.600 75.1 142.3 86.1 17.7 39.4 27.2 10.6 24 24 A Y - 0 0 73 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.773 58.9-104.2 -97.7 143.8 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-3.2 11,-0.4 9,-1.4 -0.449 53.5 158.8 -68.7 126.9 38.9 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-2.7 -8,-3.0 6,-0.3 2,-0.3 -0.884 19.8-166.7-142.0 161.8 39.6 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 2,-0.2 -0.992 52.6 3.5-149.7 163.1 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.7 -2,-0.3 2,-0.9 -0.509 122.6 -5.9 74.0-135.2 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.692 127.7 -54.1 -99.2 70.0 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.796 83.0 161.2 67.8 30.6 39.6 15.5 14.8 31 31 A H E < -B 27 0A 31 -4,-2.0 -4,-1.7 2,-0.0 -1,-0.2 -0.730 32.8-143.8 -84.9 100.7 37.4 16.3 17.8 32 32 A L E -B 26 0A 75 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.389 17.7-174.0 -65.2 132.3 35.6 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.874 57.6 -29.7 -93.6 -42.8 35.2 21.7 19.8 34 34 A T E -B 25 0A 30 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.931 35.8-130.6-172.1 152.4 33.1 24.6 18.4 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.539 76.1 113.9 -84.8 -9.6 32.3 26.6 15.2 36 36 A S - 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.271 68.9-137.0 -67.3 143.4 32.8 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.446 75.2 102.9 -82.9 5.4 35.7 32.1 16.6 38 38 A S > - 0 0 49 1,-0.1 4,-1.6 -13,-0.0 5,-0.1 -0.796 58.1-158.8 -94.0 126.7 36.4 32.5 20.2 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.813 96.9 55.7 -70.5 -30.3 39.3 30.6 21.7 40 40 A N H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 102.9 52.4 -67.1 -42.0 37.8 31.0 25.0 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 110.0 50.2 -60.0 -40.1 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.900 109.4 50.8 -64.8 -38.8 36.7 26.4 22.6 43 43 A K H X S+ 0 0 55 -4,-2.3 4,-2.4 2,-0.2 11,-0.2 0.900 109.4 51.1 -66.6 -37.0 38.6 26.2 25.9 44 44 A S H X S+ 0 0 73 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.948 112.1 46.5 -63.6 -48.9 35.2 26.1 27.8 45 45 A E H X S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.909 111.2 52.5 -63.0 -43.7 34.0 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 5,-0.4 0.949 109.3 48.0 -60.2 -43.4 37.2 21.5 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 5,-1.4 0.910 112.3 49.6 -57.9 -44.3 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 141 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.852 110.7 50.6 -61.5 -43.4 33.4 20.4 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.878 121.6 32.1 -64.4 -38.4 34.3 17.5 27.3 50 50 A I H <5S- 0 0 38 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.668 102.0-128.6 -90.3 -32.3 37.2 16.3 29.6 51 51 A G T <5S+ 0 0 66 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.2 0.840 75.2 76.3 82.9 31.7 35.8 17.2 32.9 52 52 A R S - 0 0 8 -2,-1.0 3,-1.1 -11,-0.2 -1,-0.2 0.758 31.5-144.7 -90.7 -24.2 42.7 21.6 30.8 55 55 A N T 3 S- 0 0 116 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.742 73.7 -54.8 64.8 22.1 44.1 25.0 29.8 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.5 -13,-0.2 2,-0.4 0.431 119.2 98.4 90.7 5.3 43.9 23.9 26.0 57 57 A V B < +C 16 0B 66 -3,-1.1 2,-0.3 -41,-0.2 -1,-0.2 -0.970 44.6 174.8-131.7 140.2 46.0 20.9 26.5 58 58 A I - 0 0 6 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.857 28.4-107.3-133.3 168.5 45.1 17.1 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.472 32.9-106.5 -94.4 171.1 46.9 13.9 27.2 60 60 A K H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 120.5 51.6 -60.4 -43.1 47.0 11.1 24.7 61 61 A D H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 110.1 49.0 -63.7 -40.8 44.7 8.9 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.919 111.0 50.2 -64.7 -43.5 42.1 11.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.909 112.1 48.6 -58.9 -42.7 42.4 12.4 23.1 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.869 108.8 53.1 -67.6 -32.6 41.9 8.6 22.6 65 65 A K H X S+ 0 0 143 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.953 109.3 47.1 -68.7 -45.1 38.9 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.919 110.9 54.8 -55.7 -43.8 37.2 11.4 23.0 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.936 105.7 50.4 -59.2 -49.3 38.0 9.6 19.8 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.947 111.7 47.7 -55.1 -45.2 36.3 6.4 20.9 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.917 111.2 51.5 -61.9 -42.1 33.2 8.3 21.9 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.885 111.2 47.4 -64.5 -38.0 33.2 10.2 18.5 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.963 113.7 47.9 -66.6 -46.2 33.5 6.9 16.5 72 72 A D H X S+ 0 0 95 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.938 111.8 48.7 -57.0 -47.7 30.8 5.4 18.6 73 73 A A H X S+ 0 0 60 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.887 108.8 54.6 -61.6 -38.3 28.5 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.939 109.6 46.9 -62.0 -45.8 29.1 8.4 14.4 75 75 A V H X S+ 0 0 32 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 113.6 47.9 -63.4 -43.8 28.0 4.8 14.0 76 76 A R H X S+ 0 0 144 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.886 107.7 55.1 -67.4 -37.7 25.0 5.3 16.1 77 77 A G H X S+ 0 0 3 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.893 108.8 48.8 -60.7 -39.1 24.1 8.4 14.2 78 78 A I H >< S+ 0 0 4 -4,-1.8 3,-1.2 1,-0.2 7,-0.4 0.959 110.7 50.6 -62.0 -48.5 24.2 6.3 10.9 79 79 A L H 3< S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.807 111.1 48.6 -62.2 -29.0 22.0 3.6 12.5 80 80 A R H 3< S+ 0 0 186 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.521 91.8 94.3 -87.5 -10.3 19.5 6.1 13.6 81 81 A N S+ 0 0 9 -6,-0.2 4,-2.6 -7,-0.2 3,-0.4 0.871 99.8 68.7 -89.1 -41.8 21.7 6.2 6.0 85 85 A K H X S+ 0 0 87 -4,-3.1 4,-3.0 -7,-0.4 5,-0.3 0.916 97.9 50.2 -52.4 -45.0 21.0 3.0 7.7 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.879 112.4 48.7 -65.0 -32.6 19.8 1.0 4.7 87 87 A V H > S+ 0 0 9 -3,-0.4 4,-0.9 -4,-0.4 -2,-0.2 0.948 112.4 48.5 -68.7 -46.5 22.9 2.0 2.7 88 88 A Y H >< S+ 0 0 30 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.909 108.2 52.3 -55.3 -50.5 25.1 1.1 5.5 89 89 A D H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 105.9 57.0 -61.3 -29.5 23.5 -2.3 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.686 94.4 87.1 -75.2 -17.6 23.9 -3.2 2.5 91 91 A L S << S- 0 0 4 -3,-0.9 2,-0.1 -4,-0.9 31,-0.0 -0.507 76.6-117.3 -84.9 157.2 27.7 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.241 43.6 -89.8 -76.4 170.7 30.5 -4.9 3.3 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.840 122.3 47.7 -53.9 -46.3 32.9 -4.2 6.2 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.6 62,-0.2 3,-0.4 0.941 113.4 47.2 -65.9 -47.4 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.881 104.9 60.0 -66.3 -36.6 33.0 0.0 2.7 96 96 A R H X S+ 0 0 81 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 102.0 54.0 -53.9 -38.6 31.1 0.6 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.904 105.2 54.3 -65.0 -36.8 34.3 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.893 108.2 49.8 -63.5 -38.1 34.4 4.5 4.4 99 99 A A H X S+ 0 0 19 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.910 109.7 50.7 -67.6 -38.2 30.8 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.936 106.8 53.9 -65.7 -38.6 31.8 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.956 108.3 50.5 -60.2 -46.5 34.8 8.3 8.0 102 102 A M H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.931 112.2 45.2 -60.1 -44.1 32.6 10.5 5.9 103 103 A V H X S+ 0 0 11 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.921 110.9 54.4 -66.3 -38.0 30.1 10.9 8.8 104 104 A F H < S+ 0 0 31 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.936 114.7 41.8 -58.1 -42.0 32.8 11.5 11.2 105 105 A Q H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.888 133.6 12.8 -72.5 -46.0 34.2 14.3 9.0 106 106 A M H X S- 0 0 56 -4,-2.7 4,-0.7 -5,-0.2 -3,-0.2 0.392 102.5-108.4-120.5 5.0 31.0 16.0 7.9 107 107 A G H X - 0 0 28 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.198 34.2 -82.4 79.1 153.0 28.1 14.9 10.0 108 108 A E H > S+ 0 0 55 1,-0.3 4,-3.3 2,-0.2 -1,-0.1 0.824 128.4 53.3 -54.0 -46.9 25.1 12.7 9.4 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.919 107.8 48.4 -57.9 -56.5 23.3 15.5 7.9 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-1.5 1,-0.2 -2,-0.2 0.954 116.1 44.5 -55.3 -55.7 26.1 16.4 5.4 111 111 A V H >< S+ 0 0 9 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.872 103.9 60.7 -57.7 -41.6 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 19 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.721 94.4 70.2 -62.2 -16.9 22.7 12.2 4.1 113 113 A G T << S+ 0 0 57 -3,-1.5 2,-1.1 -4,-0.9 3,-0.3 0.548 75.2 82.3 -71.8 -12.4 22.8 15.0 1.4 114 114 A F <> + 0 0 37 -3,-2.0 4,-3.1 1,-0.2 5,-0.2 -0.391 55.4 156.2 -92.3 50.9 24.7 12.7 -1.2 115 115 A T H > + 0 0 79 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.873 68.1 45.5 -45.0 -51.7 21.4 11.2 -2.2 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 114.5 46.3 -64.1 -44.0 22.7 10.2 -5.6 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 111.3 55.6 -64.3 -42.0 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 21 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.914 107.0 47.7 -54.1 -50.5 24.0 7.0 -1.7 119 119 A R H X S+ 0 0 112 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.910 110.7 50.8 -60.8 -39.9 21.8 5.3 -4.1 120 120 A M H <>S+ 0 0 31 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.880 110.6 49.7 -67.9 -38.5 24.6 4.2 -6.4 121 121 A L H ><5S+ 0 0 5 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.940 108.4 53.5 -64.6 -42.6 26.5 2.6 -3.4 122 122 A Q H 3<5S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.938 111.1 46.5 -57.7 -38.6 23.3 0.9 -2.4 123 123 A Q T 3<5S- 0 0 95 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.497 113.5-120.6 -82.3 0.3 23.1 -0.5 -5.9 124 124 A K T < 5 + 0 0 98 -3,-2.1 2,-1.4 -4,-0.3 -3,-0.2 0.747 62.8 145.9 66.3 31.4 26.8 -1.6 -5.8 125 125 A R >< + 0 0 115 -5,-2.3 4,-1.9 1,-0.2 -1,-0.2 -0.684 22.3 173.8 -97.5 78.2 27.6 0.6 -8.8 126 126 A W H > + 0 0 47 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.900 67.3 45.2 -58.0 -49.8 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 113.8 49.9 -65.2 -39.8 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.832 110.6 51.1 -66.0 -32.9 29.7 5.4 -10.9 129 129 A A H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.902 106.7 53.6 -66.5 -42.0 29.5 6.2 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.901 109.6 48.3 -60.9 -43.2 33.2 7.2 -7.1 131 131 A V H X S+ 0 0 93 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.940 114.1 45.2 -66.5 -42.3 32.6 9.6 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.887 108.6 56.9 -69.1 -33.9 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.873 101.7 57.0 -65.9 -32.2 31.2 11.4 -4.9 134 134 A A H 3< S+ 0 0 25 -4,-1.4 2,-1.8 -5,-0.2 -1,-0.2 0.692 85.5 82.5 -74.1 -15.7 34.0 13.5 -6.4 135 135 A K S << S+ 0 0 163 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 -0.536 80.0 95.8 -84.2 67.2 31.5 16.1 -7.7 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.998 86.0-115.6-154.7 158.7 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.914 113.7 64.6 -62.6 -38.2 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.943 106.1 42.7 -49.0 -49.1 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.9 49.8 -67.7 -41.3 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 115.9 43.0 -67.0 -34.7 37.5 20.0 -3.9 141 141 A Q H < S+ 0 0 106 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.846 131.5 19.5 -80.1 -37.0 38.3 21.2 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 -0.585 72.6 161.7-133.4 72.3 40.1 18.1 0.9 143 143 A P H > + 0 0 43 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.865 68.6 54.5 -62.2 -41.9 41.1 16.2 -2.2 144 144 A N H > S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.937 115.6 38.0 -61.8 -46.3 43.8 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 115.1 53.8 -67.6 -46.0 41.5 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.923 107.0 52.4 -55.8 -46.1 38.5 12.4 -0.3 147 147 A K H X S+ 0 0 97 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.879 108.4 51.1 -60.1 -40.2 40.4 10.4 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.932 114.5 42.4 -62.2 -42.5 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.916 114.1 52.2 -69.7 -40.2 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.905 108.3 50.0 -62.8 -45.3 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 6,-0.4 0.800 107.5 56.4 -63.0 -31.3 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.893 110.0 42.5 -65.6 -44.7 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 5 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.851 115.4 52.9 -68.7 -37.8 34.2 2.7 -1.6 154 154 A R H < S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.925 124.8 20.0 -63.1 -46.8 35.3 2.0 -5.2 155 155 A T H < S- 0 0 40 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.573 84.4-135.8-102.8 -17.5 37.4 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.3 1,-0.2 -62,-0.2 0.711 73.1 102.2 66.8 16.6 36.3 -2.3 -1.1 157 157 A T S S- 0 0 44 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.809 79.9-119.8-123.7 173.3 40.0 -2.8 -0.1 158 158 A W S >> S+ 0 0 40 -2,-0.3 3,-2.1 1,-0.2 4,-0.7 0.143 72.0 121.6 -95.3 17.6 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 89 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.818 67.0 61.0 -53.3 -30.8 44.9 -0.1 -0.6 160 160 A A G 34 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.748 110.7 41.4 -68.7 -20.5 44.5 3.7 -0.3 161 161 A Y G <4 0 0 21 -3,-2.1 -1,-0.2 -13,-0.1 -2,-0.2 0.483 360.0 360.0-107.1 -1.9 45.7 3.5 3.2 162 162 A K << 0 0 175 -3,-0.7 -3,-0.1 -4,-0.7 -2,-0.0 0.423 360.0 360.0-105.9 360.0 48.5 0.9 2.7