==== 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 10-DEC-06 2O79 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.LLINAS,S.M.CROWDER,N.ECHOLS,T.ALBER,S.MARQUSEE . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 69.8 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 . 10 6.2 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 . 9 5.6 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 0 2 0 1 2 1 0 0 1 1 1 0 0 0 0 0 0 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 1 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 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,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.8 17.4 2.0 9.4 2 2 A D > - 0 0 77 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.921 360.0 -87.5-152.8 173.1 20.6 0.9 11.0 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.829 124.5 52.0 -58.2 -35.7 22.8 -2.3 11.3 4 4 A F H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.967 112.9 42.4 -66.8 -51.0 20.8 -3.6 14.3 5 5 A E H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 113.5 55.2 -61.0 -36.8 17.4 -3.2 12.6 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.932 111.1 42.8 -62.7 -49.2 18.9 -4.6 9.3 7 7 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.866 109.0 57.9 -70.6 -33.6 20.1 -7.7 11.0 8 8 A R H X S+ 0 0 90 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.919 108.8 47.7 -58.1 -41.3 16.9 -8.1 13.0 9 9 A I H < S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.949 117.6 40.8 -63.3 -46.6 15.1 -8.2 9.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.806 126.3 32.7 -72.4 -29.5 17.5 -10.8 8.2 11 11 A E H < S- 0 0 41 -4,-2.8 19,-0.4 1,-0.2 -3,-0.2 0.705 88.2-158.0-104.2 -25.4 17.8 -13.0 11.3 12 12 A G < - 0 0 36 -4,-2.3 2,-0.3 -5,-0.4 -1,-0.2 -0.262 26.9 -85.0 70.5-167.9 14.4 -12.8 13.0 13 13 A L + 0 0 72 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.956 43.1 169.9-143.6 121.4 13.9 -13.5 16.8 14 14 A R E -A 28 0A 147 14,-1.5 14,-2.3 -2,-0.3 4,-0.1 -0.999 18.7-162.0-133.5 130.8 13.4 -17.0 18.3 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.495 73.9 60.3 -95.8 -3.8 13.5 -17.5 22.0 16 16 A K E S-C 57 0B 66 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.900 102.5 -82.4-116.5 154.0 14.0 -21.3 21.9 17 17 A I E + 0 0 32 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.262 57.8 168.7 -54.9 131.5 17.0 -23.2 20.4 18 18 A Y E -A 26 0A 27 8,-2.8 8,-3.0 -4,-0.1 2,-0.5 -0.876 36.8-104.2-137.1 168.1 16.5 -23.6 16.6 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.846 34.4-135.2 -99.0 135.6 18.6 -24.8 13.7 20 20 A D > - 0 0 45 4,-2.8 3,-1.8 -2,-0.5 -1,-0.1 0.040 42.3 -78.4 -74.9-173.5 20.0 -22.1 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.708 134.5 51.0 -65.7 -19.4 20.0 -22.3 7.6 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.383 123.1-104.0 -95.2 1.4 23.1 -24.6 7.8 23 23 A G S < S+ 0 0 40 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.582 75.6 139.0 86.9 15.4 21.4 -26.9 10.3 24 24 A Y - 0 0 77 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.737 61.7-100.2 -99.4 140.2 23.4 -25.5 13.3 25 25 A Y E +A 19 0A 37 9,-0.5 8,-2.9 11,-0.4 9,-1.5 -0.359 55.1 161.1 -61.7 132.0 21.9 -24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.8 6,-0.3 2,-0.3 -0.883 19.5-165.3-148.0 156.5 21.2 -21.2 17.2 27 27 A I E > + B 0 31A 0 4,-2.0 4,-2.4 -2,-0.3 2,-0.2 -0.981 51.4 0.4-145.1 164.8 19.1 -19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.5 -2,-0.3 2,-1.0 -0.403 123.8 -4.0 72.2-128.8 17.8 -15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.669 129.2 -55.0-104.3 70.3 18.7 -13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.833 82.0 163.4 62.6 35.8 21.0 -15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.4 -4,-2.0 2,-0.0 -1,-0.2 -0.757 32.4-141.9 -84.7 102.4 23.3 -16.3 17.7 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.438 20.0-176.6 -63.5 127.5 25.1 -19.5 16.7 33 33 A L - 0 0 12 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.844 58.3 -29.6 -93.8 -45.1 25.6 -21.8 19.7 34 34 A T - 0 0 31 -9,-1.5 -9,-0.5 2,-0.1 -1,-0.4 -0.976 33.4-134.5-166.7 153.8 27.6 -24.6 18.2 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.518 75.3 113.0 -89.4 -5.7 28.3 -26.6 15.1 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.366 70.9-136.6 -59.2 138.3 28.0 -29.8 17.1 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.537 76.8 105.6 -70.9 -3.4 25.1 -32.1 16.4 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.691 56.6-162.7 -85.5 115.9 24.6 -32.5 20.1 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.850 94.6 56.8 -61.9 -35.5 21.6 -30.5 21.5 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 104.2 51.8 -63.0 -40.7 23.1 -30.9 25.0 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 110.9 48.9 -59.1 -42.3 26.3 -29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 109.5 51.3 -62.6 -43.7 24.2 -26.4 22.4 43 43 A K H X S+ 0 0 64 -4,-2.6 4,-2.4 2,-0.2 11,-0.2 0.877 109.5 51.2 -61.4 -39.6 22.3 -26.1 25.7 44 44 A S H X S+ 0 0 69 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.945 109.7 48.5 -63.7 -46.8 25.6 -25.9 27.6 45 45 A E H X S+ 0 0 67 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 111.8 51.7 -57.6 -42.2 26.9 -23.1 25.3 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.930 109.4 47.4 -62.3 -46.8 23.6 -21.3 25.9 47 47 A D H X>S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 5,-1.1 0.898 113.2 49.4 -63.0 -41.4 23.8 -21.5 29.7 48 48 A K H <5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.4 48.9 -62.9 -41.9 27.4 -20.3 29.6 49 49 A A H <5S+ 0 0 40 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.860 119.8 35.4 -65.2 -39.7 26.4 -17.4 27.3 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.706 104.0-124.3 -90.4 -25.2 23.5 -16.2 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.710 78.2 66.9 86.0 22.2 24.9 -17.0 32.8 52 52 A R S - 0 0 7 -2,-1.0 3,-1.2 -11,-0.2 -1,-0.2 0.696 33.3-140.3 -92.5 -22.4 18.1 -21.7 30.7 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.854 74.1 -58.4 59.7 34.7 16.7 -25.1 29.8 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.531 119.0 100.3 74.1 10.6 17.0 -24.0 26.1 57 57 A V B < +C 16 0B 69 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.990 44.7 177.8-130.6 135.3 14.8 -21.0 26.5 58 58 A I - 0 0 5 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.798 27.1-108.2-126.7 169.4 15.7 -17.3 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.549 32.2-109.4 -89.3 166.2 13.9 -13.9 27.2 60 60 A K H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 120.8 53.5 -60.0 -44.9 13.8 -11.2 24.5 61 61 A D H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 110.0 47.9 -57.5 -43.4 16.0 -9.0 26.7 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 111.0 50.4 -63.3 -43.2 18.6 -11.9 26.8 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.911 110.9 49.4 -59.8 -43.8 18.4 -12.4 23.1 64 64 A E H X S+ 0 0 52 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.864 107.8 55.2 -64.9 -36.8 18.9 -8.6 22.5 65 65 A K H X S+ 0 0 137 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.943 110.1 44.0 -59.2 -52.2 22.0 -8.7 24.9 66 66 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.923 112.2 55.1 -60.2 -41.0 23.6 -11.5 22.9 67 67 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.913 106.0 50.2 -58.2 -46.5 22.7 -9.7 19.7 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.906 112.7 47.6 -57.4 -44.2 24.5 -6.5 20.9 69 69 A Q H X S+ 0 0 99 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.890 111.8 50.7 -62.6 -41.7 27.6 -8.5 21.7 70 70 A D H X S+ 0 0 34 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.889 110.5 47.1 -67.3 -41.1 27.5 -10.3 18.4 71 71 A V H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.957 112.9 50.3 -63.8 -49.7 27.2 -7.0 16.4 72 72 A D H X S+ 0 0 88 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.916 110.3 51.2 -49.0 -47.4 30.0 -5.5 18.4 73 73 A A H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.850 107.8 51.3 -63.4 -39.3 32.1 -8.7 17.7 74 74 A A H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.925 113.4 44.9 -64.8 -45.7 31.5 -8.5 14.0 75 75 A V H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 114.8 46.7 -64.0 -48.6 32.7 -4.8 13.9 76 76 A R H X S+ 0 0 122 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.905 110.5 55.9 -61.6 -36.3 35.7 -5.4 16.1 77 77 A G H X S+ 0 0 8 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.908 108.0 47.1 -57.9 -46.9 36.5 -8.5 13.9 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 7,-0.4 0.930 111.2 51.3 -58.7 -49.5 36.5 -6.3 10.8 79 79 A L H 3< S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.811 111.1 48.1 -65.6 -27.8 38.7 -3.7 12.4 80 80 A R H 3< S+ 0 0 171 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.574 94.3 91.4 -85.3 -9.5 41.2 -6.3 13.5 81 81 A N S+ 0 0 68 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.852 119.6 37.7 -86.3 -36.6 41.9 -7.7 4.6 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.9 -7,-0.2 5,-0.2 0.820 102.0 68.6 -85.7 -36.1 38.6 -6.3 5.8 85 85 A K H X S+ 0 0 77 -4,-2.7 4,-2.9 -7,-0.4 5,-0.2 0.906 99.3 48.9 -56.2 -47.4 39.6 -3.1 7.6 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.913 114.3 46.2 -60.7 -38.6 40.8 -1.2 4.5 87 87 A V H X S+ 0 0 4 -4,-0.6 4,-0.9 2,-0.2 3,-0.3 0.956 113.3 48.6 -66.9 -48.3 37.6 -2.0 2.7 88 88 A Y H >< S+ 0 0 31 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.930 111.6 49.8 -55.0 -48.1 35.4 -1.1 5.7 89 89 A D H 3< S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 108.0 55.1 -65.2 -28.0 37.3 2.2 6.2 90 90 A S H 3< S+ 0 0 37 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.664 97.5 84.5 -75.8 -17.9 36.8 3.0 2.5 91 91 A L S << S- 0 0 6 -3,-1.1 2,-0.1 -4,-0.9 31,-0.0 -0.501 78.0-116.1 -90.8 156.0 33.0 2.6 2.6 92 92 A D > - 0 0 53 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.321 44.4 -93.6 -73.6 166.9 30.2 4.9 3.5 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.821 122.2 49.7 -57.6 -37.4 28.0 4.1 6.6 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.960 113.8 44.8 -70.5 -46.9 25.3 2.2 4.7 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.865 107.2 60.6 -67.0 -32.9 27.7 0.0 2.8 96 96 A R H X S+ 0 0 78 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.913 101.8 54.0 -54.9 -43.3 29.6 -0.5 6.1 97 97 A A H X S+ 0 0 5 -4,-1.7 4,-2.6 -3,-0.2 -1,-0.2 0.885 103.9 54.6 -58.3 -40.0 26.4 -2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.915 109.6 47.7 -61.9 -40.4 26.3 -4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 111.4 49.6 -67.4 -41.6 29.8 -5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.914 108.2 54.9 -60.6 -42.4 29.0 -6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 108.0 48.9 -57.9 -47.6 25.9 -8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.5 0.927 112.7 46.7 -57.5 -47.0 28.1 -10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.894 109.6 54.7 -65.5 -37.9 30.6 -11.0 8.8 104 104 A F H < S+ 0 0 30 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.936 117.0 37.7 -58.3 -43.7 27.7 -11.5 11.2 105 105 A Q H < S+ 0 0 49 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.887 134.9 16.6 -76.1 -40.9 26.3 -14.3 9.0 106 106 A M H < S- 0 0 62 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.606 103.5-112.7-113.6 -20.4 29.6 -16.0 7.8 107 107 A G X - 0 0 30 -4,-2.2 4,-2.1 -5,-0.5 5,-0.2 0.027 33.5 -78.3 94.0 156.6 32.3 -14.9 10.1 108 108 A E H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 127.7 49.5 -55.8 -46.5 35.4 -12.7 9.6 109 109 A T H > S+ 0 0 117 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.918 109.5 50.7 -64.0 -45.5 37.4 -15.5 7.9 110 110 A G H 4 S+ 0 0 37 -4,-0.4 4,-0.2 1,-0.2 -1,-0.2 0.869 115.3 42.1 -58.9 -43.9 34.7 -16.4 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.918 106.2 61.0 -70.4 -42.9 34.1 -12.8 4.3 112 112 A A H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 97.6 63.5 -60.6 -21.6 37.9 -11.9 4.2 113 113 A G T 3< S+ 0 0 53 -4,-1.0 2,-2.4 1,-0.2 3,-0.3 0.648 73.3 89.7 -73.6 -18.6 38.1 -14.6 1.5 114 114 A F <> + 0 0 41 -3,-2.5 4,-2.9 -4,-0.2 5,-0.3 -0.233 56.9 157.7 -67.7 50.8 35.8 -12.7 -0.9 115 115 A T H > + 0 0 88 -2,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.846 65.4 43.7 -54.0 -45.9 39.1 -11.2 -2.2 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.918 114.9 49.1 -72.1 -40.5 37.9 -10.1 -5.6 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.917 110.0 52.4 -59.2 -46.6 34.6 -8.7 -4.3 118 118 A L H X S+ 0 0 11 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.890 108.7 50.7 -59.5 -41.1 36.4 -6.8 -1.6 119 119 A R H X S+ 0 0 109 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.929 109.5 49.3 -62.1 -46.5 38.7 -5.2 -4.2 120 120 A M H <>S+ 0 0 29 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.873 111.8 49.7 -62.0 -35.7 35.8 -4.2 -6.4 121 121 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.3 2,-0.2 -1,-0.2 0.922 109.2 50.9 -69.4 -42.9 34.1 -2.6 -3.4 122 122 A Q H 3<5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.861 111.1 49.8 -61.2 -34.4 37.4 -0.7 -2.4 123 123 A Q T 3<5S- 0 0 87 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.518 111.6-125.4 -78.6 -8.5 37.5 0.5 -6.1 124 124 A K T < 5 + 0 0 96 -3,-1.3 2,-1.3 -4,-0.4 -3,-0.2 0.811 60.0 147.9 61.0 34.4 33.8 1.6 -5.8 125 125 A R >< + 0 0 120 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.682 22.2 175.3 -90.9 79.4 32.9 -0.4 -8.9 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.853 68.3 43.7 -66.6 -42.6 29.5 -1.0 -7.4 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 116.2 48.4 -69.3 -41.3 27.7 -2.9 -10.2 128 128 A E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 111.3 50.2 -64.2 -45.4 30.8 -5.1 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -9,-0.2 5,-0.2 0.926 109.3 52.7 -55.3 -45.1 31.1 -5.9 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.914 110.1 47.1 -60.4 -44.7 27.4 -6.8 -7.0 131 131 A V H < S+ 0 0 85 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.932 114.5 47.5 -60.6 -44.8 27.8 -9.2 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.897 106.6 56.6 -67.4 -39.8 30.9 -10.8 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.809 101.4 58.2 -60.2 -33.1 29.3 -11.1 -4.8 134 134 A A T 3< S+ 0 0 26 -4,-1.2 2,-1.6 -3,-0.3 -1,-0.3 0.610 84.7 81.0 -75.7 -14.7 26.5 -13.2 -6.3 135 135 A K S < S+ 0 0 159 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.570 81.6 100.0 -86.2 69.6 28.9 -15.8 -7.7 136 136 A S S > S- 0 0 14 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.994 85.1-118.5-154.3 149.1 29.2 -17.4 -4.3 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.912 115.4 62.1 -53.0 -45.2 27.9 -20.3 -2.2 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.918 105.6 42.9 -43.4 -56.6 26.5 -17.6 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.928 115.0 49.0 -62.7 -46.1 24.2 -16.2 -2.6 140 140 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 116.4 41.3 -66.0 -36.3 23.1 -19.6 -3.9 141 141 A Q H < S+ 0 0 115 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 132.7 21.6 -81.4 -34.1 22.2 -20.9 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.570 75.1 158.8-128.8 70.1 20.6 -17.7 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.837 69.8 51.3 -67.4 -34.9 19.6 -15.8 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.947 116.4 41.2 -72.6 -41.3 16.9 -13.5 -0.7 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 115.5 50.2 -63.1 -47.9 19.2 -12.3 2.1 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.891 107.6 54.8 -60.1 -41.7 22.2 -12.0 -0.2 147 147 A K H X S+ 0 0 99 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.892 109.2 48.2 -58.1 -40.1 20.1 -10.0 -2.7 148 148 A R H X S+ 0 0 70 -4,-1.6 4,-1.7 2,-0.2 12,-0.2 0.928 114.5 44.4 -65.2 -43.2 19.2 -7.5 0.0 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.931 114.2 49.5 -70.4 -42.8 22.8 -7.2 1.2 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.898 107.9 53.9 -62.9 -42.7 24.1 -6.9 -2.4 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.874 107.2 52.6 -56.0 -39.1 21.5 -4.2 -3.2 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.924 112.1 44.5 -65.1 -44.4 22.8 -2.3 -0.2 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.869 115.7 48.3 -62.2 -41.4 26.4 -2.6 -1.5 154 154 A R H < S+ 0 0 108 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.915 126.8 23.0 -68.9 -38.8 25.3 -1.7 -5.1 155 155 A T H < S- 0 0 42 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.685 84.8-135.9-104.4 -24.0 23.2 1.4 -4.1 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.749 73.8 105.3 63.2 25.6 24.5 2.6 -0.8 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.834 80.0-123.3-124.7 170.3 20.8 3.0 0.2 158 158 A W S > S+ 0 0 62 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 0.107 70.2 122.7 -97.8 19.5 18.5 1.0 2.5 159 159 A D G > + 0 0 116 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.827 68.0 58.5 -52.6 -36.5 15.9 0.4 -0.3 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.675 106.7 48.7 -71.4 -13.7 16.1 -3.4 0.0 161 161 A Y G < 0 0 18 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.337 360.0 360.0-108.3 6.4 15.0 -3.2 3.7 162 162 A K < 0 0 128 -3,-1.2 -1,-0.1 -4,-0.4 -2,-0.1 0.678 360.0 360.0 -79.2 360.0 12.0 -0.9 3.1