==== 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 13-JUN-09 3HUA . 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, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.8 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 6.1 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 . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.1 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 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.7 -7.1 16.0 -9.2 2 2 A N > - 0 0 71 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.903 360.0 -81.5-153.4 176.2 -9.6 18.4 -10.9 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.835 125.8 52.0 -58.3 -35.5 -13.4 18.6 -11.4 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 112.7 43.2 -67.6 -46.7 -13.4 16.1 -14.2 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.891 114.6 52.2 -64.9 -38.6 -11.4 13.4 -12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.952 113.5 41.3 -62.7 -52.5 -13.5 14.1 -9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.842 109.7 59.9 -66.6 -32.1 -16.9 13.7 -10.9 8 8 A R H X S+ 0 0 107 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.906 108.4 45.5 -59.8 -41.0 -15.5 10.7 -12.9 9 9 A I H < S+ 0 0 85 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.947 117.8 42.9 -63.6 -48.1 -14.9 8.9 -9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.804 124.5 32.7 -72.6 -30.2 -18.3 9.9 -8.1 11 11 A E H < S- 0 0 42 -4,-2.7 19,-0.4 1,-0.2 -1,-0.2 0.663 92.5-151.9-101.1 -21.8 -20.4 9.2 -11.2 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.167 22.0 -90.8 74.0-174.2 -18.6 6.2 -12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.937 44.5 166.4-141.8 117.0 -18.6 5.5 -16.5 14 14 A R E -A 28 0A 144 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -1.000 22.4-159.7-133.3 133.1 -21.3 3.2 -18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.529 73.9 63.6 -94.2 -6.8 -21.8 3.0 -21.9 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.876 101.1 -86.1-114.6 149.4 -25.3 1.6 -21.8 17 17 A I E + 0 0 30 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.288 58.8 167.4 -51.4 129.5 -28.5 3.2 -20.4 18 18 A Y E -A 26 0A 29 8,-2.5 8,-3.0 -4,-0.1 2,-0.5 -0.886 37.7-101.7-137.1 168.8 -28.6 2.4 -16.6 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.846 34.9-137.4 -97.6 134.0 -30.7 3.7 -13.7 20 20 A D > - 0 0 48 4,-2.6 3,-2.0 -2,-0.5 -1,-0.1 0.031 42.0 -77.5 -75.1-172.1 -29.0 6.2 -11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.732 134.8 49.3 -64.1 -23.2 -29.3 6.2 -7.5 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.358 123.6-102.9 -95.1 3.1 -32.8 7.7 -7.7 23 23 A G S < S+ 0 0 38 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.601 75.8 139.7 85.7 14.7 -33.9 5.1 -10.3 24 24 A Y - 0 0 77 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.756 60.9-102.0-100.5 138.9 -33.7 7.5 -13.3 25 25 A Y E +A 19 0A 34 11,-0.4 8,-2.7 9,-0.4 9,-1.4 -0.320 54.6 159.5 -60.2 129.9 -32.4 6.6 -16.8 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.5 6,-0.3 2,-0.3 -0.881 19.6-166.1-146.8 160.1 -28.8 7.8 -17.2 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.3 -2,-0.3 2,-0.2 -0.975 51.8 2.3-149.0 164.1 -25.8 7.1 -19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.8 -0.396 123.5 -6.5 71.2-127.7 -22.1 7.9 -19.5 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.715 129.3 -51.2-107.2 73.9 -20.6 9.8 -16.7 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.793 82.9 162.4 63.7 31.3 -23.8 10.7 -14.8 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.9 -20,-0.1 -1,-0.2 -0.725 31.5-144.5 -82.7 103.1 -25.7 12.1 -17.8 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.471 18.9-176.7 -66.0 128.8 -29.3 12.1 -16.7 33 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.864 58.7 -32.5 -93.1 -47.4 -31.6 11.3 -19.7 34 34 A T - 0 0 32 -9,-1.4 -9,-0.4 2,-0.1 -1,-0.4 -0.973 33.7-132.3-167.4 157.0 -35.1 11.6 -18.2 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.451 75.8 113.9 -93.0 -3.0 -37.1 11.1 -15.0 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.398 68.5-139.9 -64.2 139.3 -39.7 9.3 -17.1 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.513 76.8 103.2 -76.1 -3.2 -40.1 5.6 -16.3 38 38 A D >> - 0 0 80 1,-0.2 4,-1.7 2,-0.0 3,-0.6 -0.720 59.3-160.7 -86.9 111.8 -40.5 4.9 -20.0 39 39 A L H 3> S+ 0 0 63 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.825 92.3 60.1 -58.1 -32.8 -37.2 3.5 -21.5 40 40 A N H 3> S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 103.1 50.5 -65.1 -37.1 -38.4 4.6 -24.9 41 41 A A H <> S+ 0 0 33 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.890 110.4 50.3 -65.4 -39.5 -38.5 8.2 -23.8 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.904 109.3 50.8 -63.1 -42.9 -34.9 7.8 -22.4 43 43 A K H X S+ 0 0 58 -4,-2.6 4,-2.5 2,-0.2 11,-0.3 0.872 109.3 51.2 -63.5 -37.6 -33.7 6.3 -25.7 44 44 A S H X S+ 0 0 72 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 109.6 49.4 -64.3 -46.0 -35.2 9.3 -27.5 45 45 A E H X S+ 0 0 71 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.907 111.1 51.2 -58.6 -41.0 -33.4 11.7 -25.2 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.950 109.6 48.2 -60.5 -51.1 -30.2 9.8 -25.8 47 47 A D H X>S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.2 5,-0.8 0.888 112.5 49.4 -58.2 -41.4 -30.6 10.0 -29.6 48 48 A K H <5S+ 0 0 144 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.890 112.1 49.1 -62.1 -41.5 -31.3 13.7 -29.4 49 49 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.868 120.6 34.0 -68.0 -38.1 -28.3 14.3 -27.2 50 50 A I H <5S- 0 0 39 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.739 101.9-127.1 -92.6 -26.8 -25.8 12.3 -29.4 51 51 A G T <5S+ 0 0 67 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.680 78.1 71.6 85.2 19.6 -27.3 13.2 -32.8 52 52 A R S - 0 0 9 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.639 30.5-145.6 -93.9 -19.3 -27.9 4.9 -30.5 55 55 A N T 3 S- 0 0 126 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.911 74.8 -51.4 42.1 52.8 -30.3 2.2 -29.4 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.501 119.3 95.6 74.1 8.8 -29.3 2.7 -25.8 57 57 A V B < +C 16 0B 66 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.993 43.5 176.4-134.8 137.7 -25.5 2.5 -26.2 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.831 28.2-107.9-128.6 170.8 -22.7 5.1 -26.7 59 59 A T > - 0 0 70 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.522 32.9-107.9 -92.4 166.1 -19.0 5.2 -27.0 60 60 A K H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 121.4 53.2 -58.5 -42.1 -16.4 6.4 -24.5 61 61 A D H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 109.7 48.2 -60.0 -43.5 -15.7 9.5 -26.6 62 62 A E H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.8 50.8 -64.0 -41.5 -19.5 10.3 -26.7 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.903 110.4 49.3 -61.0 -41.9 -19.8 9.8 -23.0 64 64 A E H X S+ 0 0 76 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.836 108.0 54.9 -69.4 -31.1 -16.9 12.2 -22.4 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.944 109.2 45.9 -65.7 -47.8 -18.5 14.7 -24.8 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.901 111.8 53.9 -58.7 -40.4 -21.7 14.8 -22.8 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.922 107.2 49.6 -61.7 -45.8 -19.6 15.0 -19.6 68 68 A N H X S+ 0 0 90 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.930 114.2 45.8 -56.9 -47.5 -17.7 18.1 -21.0 69 69 A Q H X S+ 0 0 102 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.916 113.3 49.4 -61.9 -44.3 -21.0 19.7 -21.8 70 70 A D H X S+ 0 0 38 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.880 111.7 47.2 -67.6 -39.4 -22.6 18.8 -18.5 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.950 113.9 48.4 -65.7 -47.1 -19.7 20.2 -16.4 72 72 A D H X S+ 0 0 106 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.933 112.7 47.4 -58.7 -47.6 -19.6 23.4 -18.4 73 73 A A H X S+ 0 0 58 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.862 110.1 53.9 -63.1 -35.5 -23.4 23.9 -18.1 74 74 A A H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.942 112.5 43.1 -62.0 -48.9 -23.2 23.2 -14.3 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 114.5 49.6 -61.0 -49.2 -20.5 25.9 -13.8 76 76 A R H X S+ 0 0 144 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.895 108.1 54.7 -62.5 -38.1 -22.3 28.4 -16.0 77 77 A G H X S+ 0 0 1 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.909 105.8 52.5 -59.2 -43.7 -25.5 27.7 -14.2 78 78 A I H >< S+ 0 0 4 -4,-1.9 3,-1.4 1,-0.2 7,-0.5 0.944 109.2 49.1 -55.5 -49.1 -23.8 28.6 -10.9 79 79 A L H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 110.8 50.7 -64.6 -26.6 -22.6 31.9 -12.3 80 80 A R H 3< S+ 0 0 178 -4,-1.5 2,-0.6 -3,-0.2 -1,-0.3 0.498 92.9 91.8 -86.4 -7.2 -26.1 32.7 -13.6 81 81 A N S+ 0 0 13 -6,-0.2 4,-3.0 -7,-0.1 3,-0.3 0.863 100.1 69.3 -91.3 -38.2 -24.9 30.7 -5.8 85 85 A K H X S+ 0 0 96 -4,-3.0 4,-3.1 -7,-0.5 5,-0.2 0.893 100.0 46.7 -54.1 -50.7 -22.5 33.1 -7.6 86 86 A P H > S+ 0 0 60 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.884 115.9 46.4 -63.1 -34.4 -21.4 35.1 -4.6 87 87 A V H >> S+ 0 0 10 -4,-0.4 4,-0.7 -3,-0.3 3,-0.5 0.953 114.3 47.7 -68.2 -47.5 -20.8 32.0 -2.6 88 88 A Y H >< S+ 0 0 32 -4,-3.0 3,-1.5 1,-0.2 -3,-0.2 0.936 111.1 50.3 -57.4 -49.0 -19.0 30.3 -5.4 89 89 A D H 3< S+ 0 0 79 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 104.6 59.7 -65.6 -21.7 -16.8 33.3 -6.1 90 90 A S H << S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.668 93.9 88.3 -75.5 -18.7 -15.9 33.5 -2.4 91 91 A L S << S- 0 0 7 -3,-1.5 2,-0.1 -4,-0.7 31,-0.0 -0.460 78.5-116.8 -85.9 153.2 -14.4 30.0 -2.5 92 92 A D > - 0 0 53 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.291 44.0 -93.3 -70.5 169.6 -10.9 28.7 -3.3 93 93 A A H > S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.823 122.3 49.2 -61.3 -38.2 -10.4 26.5 -6.4 94 94 A V H >> S+ 0 0 28 2,-0.2 4,-1.3 62,-0.2 3,-0.6 0.950 112.6 46.2 -70.3 -46.5 -10.7 23.1 -4.6 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.846 105.1 62.3 -65.5 -30.7 -13.9 24.0 -2.7 96 96 A R H 3X S+ 0 0 79 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.879 100.3 55.1 -57.8 -37.3 -15.3 25.4 -6.0 97 97 A C H S+ 0 0 73 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.690 135.6 58.4 -82.9 -19.3 -30.1 24.0 -8.7 109 109 A T H 4 S+ 0 0 134 -3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.911 109.4 47.3 -68.8 -41.8 -33.5 22.9 -7.4 110 110 A G H >< S+ 0 0 21 -4,-1.2 3,-1.4 1,-0.2 -2,-0.2 0.919 112.1 45.9 -63.9 -48.2 -31.5 20.6 -5.1 111 111 A V H >< S+ 0 0 4 -4,-1.9 3,-2.8 1,-0.3 -1,-0.2 0.717 93.4 81.5 -72.4 -17.2 -29.0 23.1 -3.9 112 112 A A G >< S+ 0 0 61 -4,-0.9 3,-0.7 1,-0.3 -1,-0.3 0.812 89.3 55.4 -53.6 -27.3 -31.8 25.5 -3.3 113 113 A G G < S+ 0 0 70 -3,-1.4 -1,-0.3 -4,-0.4 3,-0.2 0.379 93.8 70.2 -89.8 6.3 -32.3 23.6 -0.1 114 114 A F G <> + 0 0 14 -3,-2.8 4,-2.4 1,-0.2 3,-0.3 0.154 57.8 122.4-108.1 19.6 -28.8 24.2 1.0 115 115 A T H <> S+ 0 0 82 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.869 74.0 49.3 -47.6 -49.8 -29.1 27.9 1.7 116 116 A N H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 111.8 48.8 -62.9 -41.9 -28.0 27.7 5.3 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.870 107.9 57.0 -56.9 -45.2 -24.9 25.6 4.4 118 118 A L H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.879 104.6 50.5 -56.4 -45.7 -24.2 28.2 1.7 119 119 A R H X S+ 0 0 122 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.929 110.4 49.2 -61.3 -46.4 -24.1 31.0 4.2 120 120 A M H <>S+ 0 0 34 -4,-1.7 5,-2.5 1,-0.2 4,-0.3 0.890 111.0 50.3 -62.1 -39.2 -21.7 29.1 6.4 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.4 2,-0.2 -2,-0.2 0.927 109.4 50.1 -63.1 -44.8 -19.4 28.4 3.5 122 122 A Q H 3<5S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.859 110.7 50.7 -62.2 -32.8 -19.4 32.0 2.4 123 123 A Q T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.521 111.9-125.7 -77.9 -7.9 -18.4 32.9 6.1 124 124 A K T < 5 + 0 0 95 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.818 60.5 147.3 61.4 35.0 -15.6 30.2 5.8 125 125 A R >< + 0 0 120 -5,-2.5 4,-2.8 1,-0.2 5,-0.2 -0.687 22.5 174.6 -94.4 76.9 -17.0 28.5 8.9 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.840 67.5 44.0 -65.7 -43.3 -15.8 25.2 7.5 127 127 A D H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 116.6 48.3 -68.6 -40.6 -16.5 22.7 10.3 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 111.3 50.3 -64.0 -43.1 -20.0 24.3 10.9 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.914 109.3 52.0 -60.0 -43.6 -20.8 24.2 7.2 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.898 109.2 49.1 -61.9 -42.4 -19.7 20.5 7.1 131 131 A V H X S+ 0 0 87 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.929 113.8 46.9 -61.6 -44.0 -22.0 19.6 10.0 132 132 A N H >< S+ 0 0 39 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.885 106.1 58.0 -67.5 -37.9 -24.9 21.5 8.4 133 133 A L H 3< S+ 0 0 1 -4,-2.6 6,-0.4 1,-0.3 -1,-0.2 0.832 101.9 55.9 -62.2 -32.6 -24.3 19.9 5.0 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.9 -3,-0.3 -1,-0.3 0.653 85.3 82.8 -77.4 -14.8 -24.8 16.4 6.4 135 135 A K S << S+ 0 0 163 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.529 81.6 98.0 -85.2 69.3 -28.2 17.2 7.8 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.997 85.6-118.1-156.1 152.1 -29.8 16.5 4.5 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.909 115.7 62.3 -56.3 -43.0 -31.6 14.0 2.3 138 138 A W H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.925 106.4 42.2 -46.9 -55.2 -28.6 14.2 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.925 115.0 49.5 -60.5 -48.6 -26.3 12.9 2.8 140 140 A N H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.9 41.9 -63.8 -35.1 -28.6 10.2 3.9 141 141 A Q H < S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 132.4 21.0 -83.1 -35.6 -29.3 8.8 0.4 142 142 A T S X S+ 0 0 18 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 -0.575 75.3 158.6-128.7 68.9 -25.7 9.0 -0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.857 69.8 49.9 -67.5 -36.8 -23.6 9.1 2.3 144 144 A D H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.902 117.1 41.3 -73.1 -34.8 -20.2 7.9 1.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 115.5 50.4 -70.0 -45.3 -20.3 10.4 -1.9 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.893 106.7 56.0 -62.1 -37.9 -21.6 13.2 0.3 147 147 A K H X S+ 0 0 95 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.909 108.7 47.5 -58.5 -42.7 -18.9 12.4 2.9 148 148 A R H X S+ 0 0 70 -4,-1.3 4,-1.8 2,-0.2 12,-0.2 0.935 114.5 45.3 -63.3 -45.9 -16.2 12.9 0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 113.8 49.7 -65.1 -43.3 -17.8 16.2 -1.1 150 150 A I H X S+ 0 0 15 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.901 108.0 53.1 -63.0 -41.5 -18.2 17.5 2.5 151 151 A T H X S+ 0 0 50 -4,-2.5 4,-2.5 -5,-0.2 6,-0.4 0.884 108.4 52.0 -59.8 -37.2 -14.6 16.7 3.4 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.925 111.9 45.2 -64.9 -45.0 -13.6 18.7 0.3 153 153 A F H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.845 115.7 48.3 -62.5 -36.7 -15.7 21.6 1.5 154 154 A R H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.901 126.7 21.5 -73.4 -39.3 -14.4 21.3 5.0 155 155 A T H < S- 0 0 38 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.650 83.7-134.6-105.9 -22.1 -10.7 21.1 4.2 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.792 73.9 107.6 60.8 26.7 -10.1 22.6 0.7 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.819 80.0-122.4-124.4 170.5 -8.0 19.6 -0.0 158 158 A W >> + 0 0 47 -2,-0.3 4,-2.8 1,-0.2 3,-2.2 0.080 69.5 124.5 -97.2 20.5 -8.4 16.5 -2.2 159 159 A D T 34 + 0 0 89 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.820 69.8 54.6 -53.2 -36.2 -7.8 14.1 0.8 160 160 A A T 34 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.596 123.3 25.3 -75.9 -9.7 -11.2 12.3 0.2 161 161 A Y T <4 S+ 0 0 10 -3,-2.2 -2,-0.2 -13,-0.1 -1,-0.2 0.640 94.6 84.9-121.6 -31.0 -10.2 11.5 -3.5 162 162 A K < 0 0 157 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.752 360.0 360.0 -57.8 -25.3 -6.5 11.4 -3.9 163 163 A N 0 0 193 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.1 0.628 360.0 360.0 -78.2 360.0 -6.4 7.8 -2.8