==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-09 3HT6 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 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 1 1 0 1 2 0 0 1 1 0 0 0 0 0 1 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.2 -53.1 15.9 -7.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.921 360.0 -80.3-159.1 175.2 -50.7 18.3 -5.4 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.845 126.4 51.7 -58.1 -35.6 -46.9 18.5 -4.9 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 113.3 42.6 -66.4 -47.6 -46.9 16.0 -2.0 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.862 115.0 52.9 -65.5 -35.4 -48.9 13.4 -4.0 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.960 112.6 41.4 -66.3 -51.6 -46.8 14.1 -7.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.815 109.2 60.2 -67.7 -29.8 -43.4 13.6 -5.3 8 8 A R H X S+ 0 0 109 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.912 108.5 45.3 -63.6 -40.4 -44.7 10.6 -3.4 9 9 A I H < S+ 0 0 86 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.940 118.3 41.9 -62.0 -47.4 -45.4 8.9 -6.8 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.779 125.6 32.2 -76.6 -28.9 -42.0 9.9 -8.3 11 11 A E H < S- 0 0 42 -4,-2.6 19,-0.4 -5,-0.2 -1,-0.2 0.668 92.7-152.5-103.0 -23.1 -39.9 9.2 -5.2 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.197 22.7 -89.2 74.3-173.1 -41.7 6.3 -3.5 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.939 44.6 166.9-142.3 117.1 -41.5 5.5 0.2 14 14 A R E -A 28 0A 144 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -0.999 21.6-161.3-132.8 134.2 -38.9 3.3 1.8 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.551 73.7 63.6 -96.5 -9.2 -38.3 3.1 5.6 16 16 A K E S-C 57 0B 137 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.874 101.5 -85.2-112.2 148.8 -34.8 1.6 5.4 17 17 A I E + 0 0 33 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.260 58.5 168.7 -51.1 129.9 -31.7 3.3 4.0 18 18 A Y E -A 26 0A 28 8,-2.6 8,-3.2 -4,-0.1 2,-0.5 -0.888 37.1-104.6-135.9 167.7 -31.5 2.6 0.2 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.835 35.1-135.7 -97.5 132.9 -29.4 3.9 -2.7 20 20 A D > - 0 0 47 4,-2.7 3,-1.7 -2,-0.5 -1,-0.1 0.022 41.5 -78.4 -73.0-170.8 -31.2 6.3 -5.1 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.722 134.7 49.9 -66.1 -21.1 -31.0 6.2 -8.9 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.399 123.6-103.2 -96.2 0.7 -27.6 7.9 -8.7 23 23 A G S < S+ 0 0 35 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.569 75.7 139.8 89.4 11.8 -26.3 5.4 -6.1 24 24 A Y - 0 0 72 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.732 60.5-103.0 -97.7 136.4 -26.6 7.7 -3.2 25 25 A Y E +A 19 0A 35 9,-0.5 8,-2.6 11,-0.4 9,-1.4 -0.321 54.5 159.3 -59.7 130.9 -27.8 6.8 0.3 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-2.6 6,-0.3 2,-0.3 -0.880 20.3-166.4-147.8 162.4 -31.3 7.9 0.8 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.3 -2,-0.3 2,-0.2 -0.978 52.2 4.8-151.2 163.6 -34.4 7.2 3.0 28 28 A G E 4 S-A 14 0A 1 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.8 -0.428 123.6 -8.9 73.2-130.6 -38.1 7.9 3.2 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.739 129.3 -50.1-105.6 73.8 -39.6 9.8 0.3 30 30 A G T 4 S+ 0 0 14 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.803 82.3 163.0 66.6 31.5 -36.4 10.8 -1.5 31 31 A H E < -B 27 0A 28 -4,-2.3 -4,-1.7 2,-0.0 2,-0.2 -0.722 31.6-143.8 -82.3 101.9 -34.5 12.2 1.5 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.477 20.1-177.8 -64.9 127.7 -30.9 12.3 0.4 33 33 A L - 0 0 11 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.855 60.2 -35.2 -93.2 -44.6 -28.6 11.5 3.3 34 34 A T - 0 0 32 -9,-1.4 -9,-0.5 2,-0.1 -1,-0.4 -0.953 33.1-131.8-171.7 155.6 -25.2 11.9 1.6 35 35 A K S S+ 0 0 130 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.458 76.5 112.6 -91.6 -3.8 -23.3 11.4 -1.6 36 36 A S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.456 69.8-139.0 -65.8 135.5 -20.5 9.7 0.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.463 75.0 107.5 -74.4 2.6 -20.2 5.9 -0.3 38 38 A D > - 0 0 80 1,-0.2 4,-1.7 2,-0.0 3,-0.4 -0.720 56.3-162.5 -85.7 110.2 -19.7 5.4 3.5 39 39 A L H > S+ 0 0 64 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.854 91.2 57.5 -58.4 -36.5 -22.8 3.8 4.9 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 104.3 51.1 -63.8 -37.8 -21.7 4.8 8.4 41 41 A A H > S+ 0 0 35 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.895 110.2 50.6 -63.2 -41.2 -21.7 8.5 7.3 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.907 109.1 50.1 -61.2 -44.7 -25.2 8.0 5.9 43 43 A K H X S+ 0 0 74 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.874 109.9 51.3 -64.0 -36.9 -26.4 6.5 9.2 44 44 A S H X S+ 0 0 72 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.925 109.0 50.2 -66.3 -43.7 -24.9 9.4 11.1 45 45 A E H X S+ 0 0 70 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.888 110.2 51.8 -58.7 -40.8 -26.7 11.9 8.8 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.948 110.2 46.8 -62.1 -49.3 -30.0 10.0 9.4 47 47 A D H X>S+ 0 0 40 -4,-2.4 4,-2.5 1,-0.2 5,-0.7 0.878 112.7 50.6 -60.0 -41.0 -29.6 10.1 13.2 48 48 A K H <5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.5 47.2 -60.2 -42.8 -28.8 13.8 12.9 49 49 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.843 120.9 34.9 -71.4 -35.2 -31.9 14.4 10.8 50 50 A I H <5S- 0 0 38 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.762 101.5-126.4 -92.9 -30.6 -34.3 12.5 13.0 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.659 77.6 70.4 91.4 18.8 -32.8 13.3 16.4 52 52 A R S - 0 0 8 -2,-0.9 3,-1.5 -11,-0.3 -1,-0.2 0.633 30.7-145.0 -95.4 -17.2 -32.2 5.1 14.1 55 55 A N T 3 S- 0 0 133 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.890 74.2 -53.2 45.7 45.5 -29.8 2.3 13.1 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.550 119.5 98.0 76.3 10.5 -30.8 2.9 9.5 57 57 A V B < +C 16 0B 69 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.995 43.4 176.7-135.0 135.0 -34.6 2.6 9.9 58 58 A I - 0 0 4 -43,-2.7 2,-0.2 -2,-0.4 -30,-0.1 -0.804 27.1-109.5-127.3 172.5 -37.4 5.2 10.3 59 59 A T > - 0 0 67 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.532 32.1-108.3 -95.8 168.0 -41.2 5.2 10.7 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 121.4 52.0 -61.1 -43.5 -43.7 6.5 8.1 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 110.5 48.4 -61.4 -41.4 -44.4 9.5 10.2 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 110.8 50.8 -65.4 -40.0 -40.7 10.3 10.4 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -34,-0.4 0.914 111.2 48.2 -60.6 -42.3 -40.4 9.9 6.6 64 64 A E H X S+ 0 0 87 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.853 108.1 55.2 -69.2 -33.2 -43.3 12.2 6.1 65 65 A K H X S+ 0 0 140 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 109.7 45.2 -65.6 -47.2 -41.8 14.7 8.5 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.897 111.1 55.8 -59.2 -39.7 -38.5 14.8 6.5 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.932 107.0 48.1 -60.8 -46.7 -40.6 15.1 3.3 68 68 A N H X S+ 0 0 92 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.917 113.4 47.7 -61.5 -44.3 -42.5 18.2 4.5 69 69 A Q H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.918 113.4 48.6 -59.6 -43.9 -39.2 19.8 5.6 70 70 A D H X S+ 0 0 40 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.895 112.2 46.5 -66.1 -45.6 -37.6 18.9 2.2 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.938 114.3 48.9 -61.8 -48.4 -40.5 20.2 0.0 72 72 A D H X S+ 0 0 90 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.923 111.5 48.3 -56.9 -47.5 -40.7 23.4 2.1 73 73 A A H X S+ 0 0 57 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.866 108.5 55.2 -64.8 -33.9 -36.9 24.1 1.8 74 74 A A H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.941 110.9 44.4 -63.4 -48.4 -37.0 23.4 -1.9 75 75 A V H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.951 112.9 50.3 -59.7 -48.8 -39.7 26.1 -2.4 76 76 A R H X S+ 0 0 141 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.861 109.6 52.7 -62.0 -33.8 -37.9 28.6 -0.1 77 77 A G H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.2 3,-0.3 0.909 105.8 52.8 -65.0 -43.8 -34.6 28.0 -2.0 78 78 A I H >< S+ 0 0 5 -4,-2.1 3,-1.4 1,-0.2 7,-0.5 0.944 109.1 50.2 -54.6 -49.0 -36.3 28.7 -5.4 79 79 A L H 3< S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.750 110.3 50.2 -64.6 -27.3 -37.6 32.1 -3.9 80 80 A R H 3< S+ 0 0 190 -4,-1.2 2,-0.7 -3,-0.3 -1,-0.3 0.534 93.4 90.2 -83.7 -12.1 -34.1 33.0 -2.7 81 81 A N XX - 0 0 37 -3,-1.4 4,-2.8 -4,-0.7 3,-1.1 -0.792 63.4-158.0 -97.4 111.2 -32.6 32.2 -6.1 82 82 A A T 34 S+ 0 0 91 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.746 94.1 50.1 -59.1 -25.4 -32.5 35.2 -8.4 83 83 A K T 34 S+ 0 0 180 2,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.739 119.7 34.4 -81.9 -25.7 -32.2 33.0 -11.5 84 84 A L T <> S+ 0 0 16 -3,-1.1 4,-2.9 -6,-0.3 5,-0.2 0.809 102.5 69.5 -99.5 -36.6 -35.2 30.8 -10.5 85 85 A K H X S+ 0 0 91 -4,-2.8 4,-3.2 -7,-0.5 5,-0.2 0.896 97.2 50.4 -55.4 -50.2 -37.7 33.1 -8.8 86 86 A P H > S+ 0 0 60 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.902 115.7 43.2 -58.1 -39.5 -38.8 35.1 -11.8 87 87 A V H >> S+ 0 0 11 -4,-0.3 4,-0.7 2,-0.2 3,-0.6 0.940 114.9 49.5 -69.7 -46.0 -39.5 32.0 -13.9 88 88 A Y H >< S+ 0 0 25 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.941 111.0 48.9 -57.3 -49.1 -41.2 30.3 -11.0 89 89 A D H 3< S+ 0 0 93 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.691 104.0 61.6 -69.4 -16.2 -43.4 33.3 -10.2 90 90 A S H << S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.664 94.0 87.2 -75.6 -19.3 -44.4 33.5 -13.9 91 91 A L S << S- 0 0 8 -3,-1.4 2,-0.1 -4,-0.7 31,-0.0 -0.484 79.7-115.5 -87.6 153.5 -45.9 30.0 -13.8 92 92 A D > - 0 0 52 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.287 43.7 -96.6 -70.5 167.9 -49.4 28.8 -12.9 93 93 A A H > S+ 0 0 55 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.828 121.7 51.5 -65.2 -35.7 -49.7 26.6 -9.7 94 94 A V H >> S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.957 112.4 45.3 -66.9 -49.6 -49.6 23.2 -11.6 95 95 A R H 3> S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.853 106.1 61.3 -62.0 -33.0 -46.4 24.1 -13.5 96 96 A R H 3X S+ 0 0 83 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.870 99.7 56.6 -59.4 -33.8 -44.9 25.4 -10.3 97 97 A C H S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.837 135.7 57.8 -61.1 -30.9 -30.5 24.1 -7.7 109 109 A T H 4 S+ 0 0 124 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.876 107.3 47.9 -67.2 -36.9 -27.1 23.1 -9.1 110 110 A G H >< S+ 0 0 24 -4,-0.9 3,-1.1 -3,-0.2 -2,-0.2 0.885 110.2 50.8 -66.4 -41.8 -28.8 20.6 -11.4 111 111 A V H >< S+ 0 0 8 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.715 92.2 78.0 -72.0 -18.7 -31.4 23.2 -12.5 112 112 A A G >< S+ 0 0 62 -4,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.812 89.2 57.4 -57.8 -29.4 -28.5 25.6 -13.3 113 113 A G G < S+ 0 0 70 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.3 0.507 93.2 70.5 -78.9 -3.2 -28.0 23.7 -16.5 114 114 A F G <> + 0 0 19 -3,-2.1 4,-2.9 1,-0.2 3,-0.4 0.122 55.3 124.8-104.4 21.8 -31.6 24.4 -17.6 115 115 A T H <> S+ 0 0 79 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.862 76.2 48.6 -46.1 -47.4 -31.2 28.1 -18.4 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.879 112.8 46.8 -67.0 -40.1 -32.5 27.7 -21.9 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.914 110.3 53.7 -63.5 -46.2 -35.5 25.6 -20.9 118 118 A L H X S+ 0 0 20 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.912 106.6 52.3 -58.6 -42.5 -36.3 28.1 -18.1 119 119 A R H X S+ 0 0 123 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.933 110.4 47.4 -56.1 -49.6 -36.3 31.0 -20.6 120 120 A M H <>S+ 0 0 43 -4,-1.8 5,-2.5 2,-0.2 4,-0.3 0.889 111.2 51.9 -61.7 -39.3 -38.8 29.1 -22.9 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.4 2,-0.2 -2,-0.2 0.922 108.6 50.2 -60.6 -44.3 -40.9 28.4 -19.8 122 122 A Q H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.883 110.5 50.3 -62.4 -36.0 -40.9 32.1 -18.9 123 123 A Q T 3<5S- 0 0 92 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.494 111.4-125.9 -75.0 -7.5 -42.0 32.9 -22.5 124 124 A K T < 5 + 0 0 96 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.826 59.9 148.3 58.7 35.7 -44.8 30.3 -22.2 125 125 A R >< + 0 0 125 -5,-2.5 4,-2.9 1,-0.2 5,-0.2 -0.702 22.2 175.2 -93.1 76.1 -43.5 28.5 -25.3 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.858 67.7 43.2 -66.1 -42.4 -44.7 25.2 -23.9 127 127 A D H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 117.1 47.9 -69.3 -41.5 -44.0 22.8 -26.7 128 128 A E H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 112.3 49.9 -62.0 -44.1 -40.5 24.3 -27.4 129 129 A A H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.930 109.7 51.4 -57.1 -49.3 -39.7 24.2 -23.6 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.897 110.6 48.1 -58.6 -42.1 -40.8 20.5 -23.4 131 131 A V H X S+ 0 0 94 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.935 113.8 47.0 -64.2 -43.5 -38.6 19.6 -26.4 132 132 A N H >< S+ 0 0 31 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.894 106.6 58.0 -67.4 -36.7 -35.6 21.5 -24.8 133 133 A L H 3< S+ 0 0 0 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.827 102.5 54.8 -62.0 -32.6 -36.2 19.9 -21.4 134 134 A A H 3< S+ 0 0 33 -4,-1.3 2,-1.8 -3,-0.4 -1,-0.3 0.618 86.3 82.4 -79.4 -14.9 -35.8 16.4 -22.8 135 135 A K S << S+ 0 0 157 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.537 81.9 98.6 -86.0 71.2 -32.4 17.2 -24.3 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.995 85.7-117.3-157.7 151.8 -30.7 16.5 -21.0 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.931 116.1 61.3 -54.7 -44.9 -28.8 14.1 -18.8 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.912 107.1 41.6 -45.7 -55.5 -31.8 14.3 -16.5 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.927 114.7 50.6 -63.9 -45.6 -34.2 12.9 -19.2 140 140 A N H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.4 41.8 -65.8 -32.4 -31.8 10.2 -20.4 141 141 A Q H < S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 132.8 20.3 -84.6 -36.7 -31.1 8.9 -16.9 142 142 A T S X S+ 0 0 18 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 -0.601 75.4 157.8-128.3 69.6 -34.7 9.0 -15.6 143 143 A P H > + 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.857 69.5 51.9 -67.4 -36.9 -36.8 9.1 -18.7 144 144 A D H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.945 116.7 39.9 -70.7 -39.4 -40.1 7.8 -17.3 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.939 115.3 51.8 -69.0 -46.4 -40.1 10.4 -14.4 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.901 105.4 57.0 -58.8 -38.6 -38.8 13.2 -16.6 147 147 A K H X S+ 0 0 111 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.910 108.7 46.4 -58.2 -41.9 -41.6 12.4 -19.2 148 148 A R H X S+ 0 0 72 -4,-1.3 4,-1.8 -3,-0.3 12,-0.2 0.933 114.3 46.3 -65.8 -46.1 -44.2 13.0 -16.4 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 113.8 49.3 -64.5 -43.0 -42.6 16.2 -15.2 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.907 107.6 53.2 -63.1 -43.7 -42.2 17.5 -18.7 151 151 A T H X S+ 0 0 44 -4,-2.4 4,-2.4 -5,-0.2 6,-0.4 0.883 108.9 51.7 -56.4 -39.1 -45.9 16.7 -19.6 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.928 111.5 45.8 -64.5 -45.5 -46.8 18.7 -16.5 153 153 A F H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 115.6 48.2 -60.8 -37.7 -44.6 21.7 -17.7 154 154 A R H < S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.874 126.1 21.8 -74.1 -37.1 -46.1 21.4 -21.2 155 155 A T H < S- 0 0 39 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.644 83.3-134.1-107.9 -22.8 -49.8 21.2 -20.3 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.761 74.4 109.2 63.1 22.9 -50.3 22.7 -16.9 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.779 78.1-125.0-119.2 170.1 -52.5 19.7 -16.2 158 158 A W > + 0 0 59 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 0.106 69.3 123.4 -98.0 20.2 -52.0 16.6 -14.0 159 159 A D G > + 0 0 120 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.822 68.7 56.5 -53.4 -36.7 -52.6 14.2 -16.9 160 160 A A G 3 S+ 0 0 30 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.619 98.7 62.5 -72.8 -12.1 -49.3 12.4 -16.4 161 161 A Y G < 0 0 9 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.248 360.0 360.0-107.3 12.8 -50.1 11.5 -12.7 162 162 A K < 0 0 228 -3,-1.2 -3,-0.1 -4,-0.2 -2,-0.1 -0.073 360.0 360.0-156.2 360.0 -53.1 9.4 -13.5