==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-09 3G3V . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 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 65 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.7 43.6 -1.9 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 3,-0.2 -0.933 360.0 -82.1-153.5 174.5 40.4 -0.8 10.7 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.839 124.3 50.6 -54.3 -38.2 38.2 2.3 11.2 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 113.3 43.1 -67.9 -46.8 40.3 3.6 14.1 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.7 -3,-0.2 -2,-0.2 0.873 113.9 54.8 -64.5 -37.6 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.953 111.2 41.1 -61.0 -54.0 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.810 109.6 60.3 -66.8 -29.8 40.6 7.9 10.9 8 8 A R H X S+ 0 0 110 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.884 107.9 45.9 -63.0 -38.3 44.0 8.3 12.8 9 9 A I H < S+ 0 0 50 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.927 117.4 43.3 -66.3 -45.9 45.7 8.6 9.4 10 10 A D H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.848 125.3 31.2 -71.9 -33.4 43.1 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.9 19,-0.4 -5,-0.1 -3,-0.2 0.744 89.8-153.8-101.1 -25.6 42.8 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.206 24.8 -89.4 74.5-175.7 46.2 13.1 12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.970 41.8 170.8-138.9 122.8 46.7 13.7 16.5 14 14 A R E -A 28 0A 145 14,-1.7 14,-2.5 -2,-0.4 4,-0.1 -1.000 19.9-161.0-133.7 133.6 47.3 17.0 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.416 75.0 62.1 -96.1 0.1 47.3 17.5 22.0 16 16 A K E S-C 57 0B 147 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.931 100.8 -85.6-123.1 151.3 46.8 21.3 21.9 17 17 A I E + 0 0 31 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.228 58.1 168.0 -54.6 135.2 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-2.9 8,-3.1 -4,-0.1 2,-0.4 -0.889 37.3-101.7-143.1 170.5 44.2 23.9 16.8 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.855 34.5-141.4 -99.4 135.2 42.2 25.0 13.8 20 20 A D > - 0 0 48 4,-2.2 3,-1.4 -2,-0.4 -1,-0.1 -0.003 42.7 -76.8 -81.6-166.6 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.752 135.2 47.7 -69.3 -23.0 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.483 123.4-104.2 -92.5 -4.7 37.7 25.0 7.9 23 23 A G S < S+ 0 0 36 -3,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.622 73.4 142.7 88.7 15.8 39.3 27.1 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-2.2 9,-0.0 -1,-0.3 -0.750 59.9-101.6 -94.8 139.8 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-2.7 11,-0.4 9,-1.2 -0.324 55.6 161.5 -58.3 128.0 38.8 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.1 -8,-2.9 6,-0.3 2,-0.3 -0.885 18.6-169.3-145.8 161.0 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.2 -2,-0.3 -12,-0.2 -0.980 51.3 3.7-150.8 163.4 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.7 -2,-0.3 2,-1.0 -0.384 123.5 -6.1 70.4-132.3 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.687 128.0 -53.1-101.8 75.3 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.793 83.5 161.5 65.2 29.4 39.7 15.5 14.8 31 31 A H E < -B 27 0A 34 -4,-2.2 -4,-1.6 1,-0.0 -1,-0.2 -0.716 33.2-141.9 -86.3 104.3 37.5 16.3 17.7 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.442 20.1-177.3 -65.6 127.4 35.6 19.5 16.8 33 33 A L E - 0 0 13 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.891 59.3 -28.3 -91.2 -48.1 35.2 21.8 19.9 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.974 34.8-136.7-165.7 151.9 33.2 24.7 18.5 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.489 73.5 114.5 -89.7 -5.3 32.4 26.7 15.3 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.393 72.3-131.6 -67.4 139.4 32.7 29.9 17.3 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.524 78.6 101.9 -64.6 -8.0 35.6 32.3 16.5 38 38 A S > - 0 0 47 1,-0.1 4,-1.5 -13,-0.0 3,-0.2 -0.721 57.8-160.8 -94.9 120.8 36.4 32.6 20.2 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.774 96.8 57.8 -62.9 -27.5 39.3 30.6 21.7 40 40 A N H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 103.4 51.0 -68.9 -41.2 37.7 31.1 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.854 111.4 49.8 -62.4 -34.9 34.6 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.896 108.7 50.2 -70.3 -42.5 36.8 26.5 22.7 43 43 A K H X S+ 0 0 63 -4,-2.1 4,-2.5 2,-0.2 11,-0.3 0.882 110.7 51.1 -64.4 -36.0 38.7 26.2 26.0 44 44 A S H X S+ 0 0 71 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.897 110.4 47.6 -68.2 -42.1 35.4 26.1 27.8 45 45 A E H X S+ 0 0 67 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.907 112.0 51.8 -61.7 -42.2 34.0 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.933 109.0 48.2 -62.1 -47.8 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 37 -4,-2.5 4,-2.7 1,-0.2 5,-1.0 0.903 113.9 48.3 -57.8 -41.7 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 141 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.880 112.5 47.9 -65.6 -40.9 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 121.8 35.4 -67.7 -37.1 34.4 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.773 101.8-128.0 -91.0 -32.0 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.753 75.5 70.6 87.7 25.5 36.0 17.2 32.9 52 52 A R S - 0 0 10 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.769 31.0-146.6 -92.2 -28.0 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 121 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.813 74.2 -58.3 55.6 31.8 44.0 25.3 29.7 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.465 116.5 100.0 86.9 2.9 43.9 24.0 26.1 57 57 A V B < -C 16 0B 69 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.978 44.8-179.3-126.0 132.9 46.2 21.0 26.5 58 58 A I - 0 0 4 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.779 25.6-111.7-123.3 169.6 45.2 17.3 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.499 32.9-107.5 -93.4 169.5 47.1 14.1 27.3 60 60 A K H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.883 120.6 54.3 -63.8 -40.7 47.2 11.2 24.7 61 61 A D H > S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 108.8 49.2 -58.0 -42.7 44.9 9.1 26.9 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.906 109.9 50.7 -65.2 -42.2 42.3 12.0 26.9 63 63 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -34,-0.4 0.915 111.0 49.3 -59.9 -43.1 42.6 12.4 23.1 64 64 A E H X S+ 0 0 80 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.814 107.6 54.1 -69.8 -29.9 42.0 8.6 22.6 65 65 A K H X S+ 0 0 133 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.926 109.3 46.8 -67.9 -45.2 39.0 8.7 24.9 66 66 A L H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 112.0 53.6 -58.6 -39.8 37.3 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.942 107.2 49.0 -63.3 -49.0 38.2 9.5 19.8 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.922 113.5 47.6 -54.4 -46.0 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 112.5 49.8 -62.2 -40.7 33.4 8.4 22.0 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.866 111.1 46.9 -68.9 -39.1 33.4 10.0 18.5 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.945 113.8 49.2 -68.8 -44.0 33.7 6.8 16.6 72 72 A D H X S+ 0 0 90 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.927 111.6 49.2 -57.4 -47.1 30.9 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.877 109.3 52.2 -62.7 -39.8 28.7 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.934 111.3 46.4 -63.9 -44.6 29.2 8.2 14.4 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.944 114.1 47.3 -62.4 -48.0 28.3 4.5 14.2 76 76 A R H X S+ 0 0 123 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.858 109.6 55.0 -64.8 -33.0 25.2 5.0 16.3 77 77 A G H X S+ 0 0 2 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.878 108.0 48.5 -65.4 -39.8 24.2 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 7,-0.5 0.954 111.2 50.6 -61.1 -48.3 24.3 6.0 11.1 79 79 A L H 3< S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.735 112.9 44.9 -68.7 -22.3 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 167 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.3 0.535 93.7 94.9 -95.8 -8.6 19.5 5.6 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.4 0.869 101.8 65.0 -87.9 -40.7 22.0 6.1 6.2 85 85 A K H X S+ 0 0 85 -4,-2.5 4,-3.0 -7,-0.5 5,-0.2 0.904 100.9 49.5 -55.3 -47.9 21.1 2.8 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.862 112.9 48.6 -62.9 -32.7 19.9 1.0 4.8 87 87 A V H > S+ 0 0 0 -4,-0.5 4,-0.8 -3,-0.4 3,-0.5 0.953 112.5 48.1 -67.3 -49.2 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.917 109.5 52.9 -55.4 -46.6 25.3 0.9 5.8 89 89 A D H 3< S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.803 107.0 53.6 -60.5 -29.9 23.4 -2.4 6.1 90 90 A S H 3< S+ 0 0 36 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.672 96.1 88.6 -78.6 -17.7 24.0 -3.1 2.3 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.0 -4,-0.8 31,-0.0 -0.497 74.4-119.1 -92.7 152.9 27.8 -2.6 2.5 92 92 A D > - 0 0 58 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.238 44.8 -92.0 -73.5 173.5 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.808 121.9 48.2 -65.3 -36.9 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.3 2,-0.2 3,-0.2 0.924 113.1 46.7 -71.3 -44.1 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.823 105.2 61.6 -70.4 -28.4 33.1 0.1 2.7 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.904 101.5 53.3 -58.7 -40.9 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.2 4,-2.4 -3,-0.2 -1,-0.2 0.868 105.3 54.1 -60.7 -38.5 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.896 108.7 48.4 -62.1 -40.8 34.4 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.902 111.0 50.1 -67.1 -41.6 30.9 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.916 107.4 55.5 -61.4 -42.1 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.932 108.4 47.3 -55.5 -49.1 34.8 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.905 112.9 48.6 -60.4 -43.3 32.5 10.5 6.0 103 103 A V H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.909 109.1 53.3 -65.9 -39.4 30.1 10.8 8.9 104 104 A F H < S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.1 40.2 -59.6 -41.2 32.9 11.4 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.915 132.9 16.7 -77.9 -45.8 34.1 14.3 9.1 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.6 1,-0.2 -3,-0.2 0.482 104.2-116.7-113.0 -3.0 31.0 16.0 8.0 107 107 A G H X - 0 0 30 -4,-2.3 4,-1.8 -5,-0.4 5,-0.2 0.008 34.9 -74.2 84.3 165.5 28.3 14.7 10.4 108 108 A E H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.892 128.2 52.2 -67.8 -39.9 25.2 12.7 9.8 109 109 A T H > S+ 0 0 124 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.885 108.7 50.4 -64.3 -42.3 23.2 15.5 8.2 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.8 2,-0.2 -1,-0.2 0.921 112.4 45.0 -63.3 -45.8 25.9 16.3 5.7 111 111 A V H >< S+ 0 0 0 -4,-1.8 3,-2.5 1,-0.2 -2,-0.2 0.912 105.1 60.7 -69.0 -40.6 26.3 12.7 4.5 112 112 A A H 3< S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.713 96.4 66.3 -57.6 -18.1 22.5 12.1 4.3 113 113 A G T << S+ 0 0 56 -3,-0.8 2,-1.4 -4,-0.6 3,-0.3 0.566 74.7 84.1 -79.2 -10.6 22.6 14.9 1.7 114 114 A F <> + 0 0 38 -3,-2.5 4,-2.5 1,-0.2 3,-0.3 -0.313 58.5 158.3 -86.4 53.0 24.6 12.9 -0.8 115 115 A T H > + 0 0 84 -2,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.830 66.6 44.2 -48.4 -48.3 21.3 11.4 -1.9 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.873 113.5 49.3 -69.3 -40.9 22.5 10.3 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.891 108.9 53.6 -65.3 -41.1 25.8 8.8 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.884 107.8 50.9 -60.7 -40.5 24.0 6.8 -1.4 119 119 A R H X S+ 0 0 103 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.923 110.7 48.4 -64.5 -44.5 21.6 5.3 -4.0 120 120 A M H <>S+ 0 0 24 -4,-1.9 5,-2.6 2,-0.2 4,-0.4 0.863 111.1 50.7 -62.8 -37.4 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.923 108.8 51.1 -65.7 -43.0 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 111.2 48.4 -61.3 -34.3 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 107 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.519 113.5-122.8 -82.7 -6.0 23.0 -0.5 -5.9 124 124 A K T < 5 + 0 0 99 -3,-1.3 2,-1.2 -4,-0.4 -3,-0.2 0.806 60.5 148.2 63.3 35.2 26.7 -1.4 -5.8 125 125 A R >< + 0 0 93 -5,-2.6 4,-2.5 1,-0.2 -1,-0.2 -0.707 19.9 173.8 -94.7 81.0 27.6 0.8 -8.8 126 126 A W H > + 0 0 53 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.856 69.0 44.9 -68.0 -45.1 31.0 1.5 -7.5 127 127 A D H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 116.0 48.7 -66.0 -40.3 32.6 3.5 -10.4 128 128 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 111.4 49.1 -68.6 -37.9 29.5 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.908 109.1 53.6 -62.0 -44.2 29.3 6.3 -7.0 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.888 109.7 47.5 -60.0 -42.2 33.0 7.3 -7.0 131 131 A C H < S+ 0 0 72 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.892 114.3 46.5 -67.6 -41.0 32.5 9.8 -9.8 132 132 A N H >< S+ 0 0 36 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.890 107.7 56.2 -68.2 -39.5 29.4 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.828 102.1 58.3 -60.9 -31.6 31.1 11.6 -4.8 134 134 A A T 3< S+ 0 0 26 -4,-1.2 2,-1.5 -5,-0.2 -1,-0.3 0.626 85.7 79.9 -77.0 -14.0 33.8 13.7 -6.3 135 135 A K S < S+ 0 0 158 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.540 81.6 98.0 -88.2 68.6 31.3 16.3 -7.6 136 136 A S S > S- 0 0 16 -2,-1.5 4,-1.8 1,-0.1 5,-0.1 -0.988 85.3-117.8-154.6 151.1 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.914 115.2 63.7 -55.0 -42.6 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.910 104.9 42.4 -46.9 -54.8 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.6 50.0 -62.7 -40.7 36.2 16.7 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.827 115.9 40.7 -71.2 -28.9 37.2 20.2 -3.7 141 141 A Q H < S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.844 132.0 21.8 -88.3 -38.1 38.2 21.4 -0.2 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 -0.599 73.2 162.0-129.3 74.7 39.9 18.2 1.0 143 143 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 70.3 51.2 -65.8 -41.5 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.914 116.2 40.4 -66.5 -44.3 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.929 115.4 51.1 -65.8 -47.8 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.919 108.4 53.1 -57.6 -43.9 38.3 12.5 -0.2 147 147 A K H X S+ 0 0 98 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.885 108.4 49.9 -57.6 -42.1 40.3 10.5 -2.8 148 148 A R H X S+ 0 0 55 -4,-1.6 4,-1.4 2,-0.2 12,-0.2 0.921 114.9 43.5 -62.5 -42.5 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.938 114.6 48.9 -71.1 -45.3 37.7 7.5 1.0 150 150 A I H X S+ 0 0 11 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.896 109.4 52.4 -60.2 -42.8 36.4 7.4 -2.5 151 151 A T H X S+ 0 0 32 -4,-2.5 4,-2.3 -5,-0.2 6,-0.4 0.838 106.9 54.2 -61.2 -33.7 39.0 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.912 110.7 45.1 -66.7 -43.5 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.1 49.6 -64.2 -40.6 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 97 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.912 125.4 22.4 -66.3 -42.6 35.4 2.1 -5.3 155 155 A T H < S- 0 0 51 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.706 86.0-135.1-104.0 -25.7 37.6 -0.9 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.709 72.5 101.8 72.7 19.3 36.4 -2.3 -1.3 157 157 A T S S- 0 0 50 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.783 81.2-118.6-126.0 172.8 40.1 -2.7 -0.2 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.2 1,-0.2 4,-0.9 0.174 72.5 121.7 -94.4 15.3 42.4 -0.7 2.1 159 159 A D H >> + 0 0 111 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.799 66.3 57.7 -52.5 -37.1 44.9 0.1 -0.7 160 160 A A H 34 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.681 115.2 38.8 -70.7 -14.2 44.6 3.9 -0.4 161 161 A Y H X4 S+ 0 0 0 -3,-2.2 3,-1.2 -13,-0.1 -1,-0.2 0.500 94.2 84.2-108.7 -9.5 45.8 3.6 3.2 162 162 A K H << S+ 0 0 113 -4,-0.9 -2,-0.1 -3,-0.6 -3,-0.1 0.815 88.5 49.4 -75.6 -32.1 48.4 0.8 3.0 163 163 A N T 3< 0 0 165 -4,-0.6 -1,-0.3 0, 0.0 -2,-0.1 0.183 360.0 360.0 -86.4 18.8 51.4 2.9 2.0 164 164 A L < 0 0 124 -3,-1.2 -3,-0.1 0, 0.0 -155,-0.1 -0.737 360.0 360.0-122.7 360.0 50.6 5.3 4.8