==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-09 3HDE . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P21; . AUTHOR Q.SUN,A.AROCKIASAMY,E.MCKEE,E.CARONNA,J.C.SACCHETTINI . 651 5 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 70.4 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 . 39 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 33 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 4 3 5 0 0 4 4 1 0 7 0 0 0 0 4 0 0 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 . 2 5 4 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 . 5 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 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 73 0, 0.0 5,-0.1 0, 0.0 154,-0.0 0.000 360.0 360.0 360.0 161.0 15.7 -17.5 -9.6 2 2 A P >> - 0 0 42 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.267 360.0-128.5 -50.6 137.7 12.8 -18.0 -7.2 3 3 A P H 3> S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.844 107.5 59.4 -60.7 -33.7 14.1 -20.4 -4.5 4 4 A S H 3> S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.882 107.0 46.2 -63.1 -37.3 11.0 -22.7 -5.0 5 5 A L H <> S+ 0 0 15 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.889 108.5 56.5 -71.6 -38.8 12.0 -23.2 -8.7 6 6 A R H X S+ 0 0 28 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.904 110.2 44.7 -55.6 -44.2 15.6 -23.8 -7.6 7 7 A K H X S+ 0 0 64 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.902 113.9 49.5 -69.3 -41.4 14.5 -26.6 -5.4 8 8 A A H X S+ 0 0 20 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.939 112.1 46.2 -63.8 -49.7 12.1 -28.1 -8.0 9 9 A V H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.894 111.2 53.9 -61.1 -40.7 14.7 -28.1 -10.8 10 10 A A H >< S+ 0 0 49 -4,-1.8 3,-0.7 -5,-0.3 4,-0.3 0.915 109.9 46.5 -59.6 -44.8 17.2 -29.6 -8.4 11 11 A A H >< S+ 0 0 86 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.859 111.1 54.7 -64.4 -34.9 14.8 -32.5 -7.5 12 12 A A H >< S+ 0 0 13 -4,-2.1 3,-2.0 1,-0.2 4,-0.4 0.619 81.5 91.2 -72.1 -17.3 14.1 -32.9 -11.3 13 13 A I G X< S+ 0 0 61 -4,-0.9 3,-1.6 -3,-0.7 -1,-0.2 0.857 82.5 52.5 -56.8 -40.3 17.7 -33.4 -12.3 14 14 A G G < S+ 0 0 85 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.654 102.6 63.1 -67.5 -13.3 17.7 -37.2 -12.0 15 15 A G G <> S- 0 0 46 -3,-2.0 4,-0.6 1,-0.2 3,-0.3 0.514 106.4-133.5 -89.5 -7.0 14.7 -37.2 -14.2 16 16 A G H <> - 0 0 14 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.2 -0.211 42.3 -38.0 88.4-174.7 16.6 -35.8 -17.1 17 17 A A H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.831 132.0 54.1 -57.4 -40.8 15.9 -32.9 -19.5 18 18 A I H > S+ 0 0 58 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.938 109.4 46.3 -65.6 -43.3 12.2 -33.7 -19.9 19 19 A A H X S+ 0 0 32 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.906 113.7 49.9 -65.8 -39.5 11.5 -33.5 -16.2 20 20 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 -8,-0.3 -2,-0.2 0.954 111.3 48.2 -59.5 -50.8 13.5 -30.3 -15.9 21 21 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.884 108.8 55.0 -58.2 -39.6 11.6 -28.8 -18.8 22 22 A S H X S+ 0 0 18 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.910 105.9 51.5 -61.6 -41.9 8.3 -29.9 -17.2 23 23 A V H X S+ 0 0 22 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.900 111.5 47.7 -60.1 -42.7 9.2 -28.1 -14.0 24 24 A L H < S+ 0 0 2 -4,-1.9 10,-2.6 2,-0.2 11,-0.2 0.926 117.6 40.6 -62.2 -48.7 10.0 -24.9 -16.0 25 25 A I H < S+ 0 0 0 -4,-2.5 10,-1.4 8,-0.2 8,-0.4 0.903 128.5 28.0 -70.5 -45.3 6.8 -25.0 -18.0 26 26 A T H < S- 0 0 9 -4,-2.9 6,-2.1 -5,-0.2 4,-0.2 0.607 105.0-133.7 -96.6 -16.3 4.3 -26.1 -15.3 27 27 A G >< - 0 0 4 -4,-1.6 3,-1.5 -5,-0.5 6,-0.2 0.065 36.5 -62.1 83.9 164.1 6.1 -24.6 -12.3 28 28 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.816 137.3 45.1 -53.7 -34.8 6.9 -26.1 -8.9 29 29 A S T 3 S- 0 0 74 3,-0.3 -2,-0.2 -3,-0.2 4,-0.1 0.540 108.4-121.7 -86.4 -10.1 3.2 -26.6 -8.1 30 30 A G S < S+ 0 0 26 -3,-1.5 -3,-0.2 -4,-0.2 3,-0.1 0.373 103.3 70.4 82.8 -4.0 2.3 -28.0 -11.5 31 31 A N S S+ 0 0 70 1,-0.2 -4,-0.2 6,-0.0 2,-0.1 0.258 94.4 43.1-128.6 10.8 -0.1 -25.1 -11.9 32 32 A D S S+ 0 0 88 -6,-2.1 -3,-0.3 4,-0.1 -1,-0.2 -0.530 71.3 125.7-164.2 84.3 2.0 -22.0 -12.3 33 33 A G S S- 0 0 11 2,-0.8 -8,-0.2 -8,-0.4 -7,-0.2 -0.263 74.1 -65.2-123.6-151.4 5.1 -22.0 -14.6 34 34 A L S S+ 0 0 29 -10,-2.6 2,-0.3 -2,-0.1 -9,-0.2 0.837 116.5 59.7 -73.2 -33.3 6.6 -20.2 -17.5 35 35 A E S S- 0 0 13 -10,-1.4 -2,-0.8 -11,-0.2 175,-0.1 -0.700 89.6-116.1 -99.4 147.2 3.8 -21.2 -19.8 36 36 A G - 0 0 10 173,-0.4 2,-0.3 -2,-0.3 -1,-0.1 -0.154 25.7-146.9 -73.9 175.9 0.1 -20.4 -19.2 37 37 A V + 0 0 31 16,-0.2 2,-0.3 -6,-0.1 16,-0.2 -0.991 18.8 171.2-150.0 136.1 -2.6 -22.9 -18.5 38 38 A S E -A 52 0A 9 14,-1.0 14,-2.5 -2,-0.3 16,-0.2 -0.993 23.2-155.6-142.7 144.3 -6.3 -23.3 -19.3 39 39 A Y E S+ 0 0 68 -2,-0.3 27,-3.4 12,-0.2 -1,-0.1 0.549 85.6 60.7 -97.4 -8.7 -8.7 -26.2 -18.8 40 40 A I E S- 0 0 102 25,-0.2 25,-0.1 12,-0.1 22,-0.1 -0.970 98.0-107.6-114.3 132.0 -11.1 -25.0 -21.5 41 41 A P E + 0 0 10 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.236 42.7 179.5 -61.8 146.5 -9.7 -24.7 -25.1 42 42 A Y E -A 50 0A 14 8,-2.7 8,-2.9 6,-0.1 2,-0.5 -0.964 31.5-109.3-143.8 161.7 -9.2 -21.2 -26.4 43 43 A K E -A 49 0A 43 -2,-0.3 159,-0.4 6,-0.2 6,-0.2 -0.802 37.1-141.9 -96.0 126.1 -8.0 -19.5 -29.5 44 44 A D > - 0 0 32 4,-2.6 3,-2.6 -2,-0.5 158,-0.1 -0.079 35.8 -80.8 -84.4-175.9 -4.6 -17.8 -29.1 45 45 A I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.695 130.6 48.8 -68.1 -15.0 -3.4 -14.5 -30.5 46 46 A V T 3 S- 0 0 16 2,-0.1 268,-0.5 269,-0.0 -1,-0.3 0.162 123.1-102.6-101.4 19.0 -2.5 -16.1 -33.9 47 47 A G S < S+ 0 0 29 -3,-2.6 2,-0.5 1,-0.2 -2,-0.1 0.704 75.9 140.0 76.6 21.7 -5.9 -17.8 -34.1 48 48 A V - 0 0 47 8,-0.0 -4,-2.6 265,-0.0 -1,-0.2 -0.846 56.0-116.9-102.7 129.7 -4.7 -21.3 -33.1 49 49 A W E +A 43 0A 96 -2,-0.5 8,-0.5 -6,-0.2 2,-0.3 -0.462 41.7 177.1 -68.3 134.9 -6.8 -23.4 -30.8 50 50 A T E +A 42 0A 4 -8,-2.9 -8,-2.7 -2,-0.2 2,-0.3 -0.927 11.3 171.0-137.6 150.2 -4.9 -24.1 -27.5 51 51 A V E > +B 55 0B 0 4,-1.8 4,-2.1 -2,-0.3 -12,-0.2 -0.972 51.4 2.3-155.9 165.7 -5.6 -26.0 -24.3 52 52 A a E 4 S-A 38 0A 1 -14,-2.5 2,-1.6 -2,-0.3 -14,-1.0 -0.277 129.3 -2.3 58.3-136.1 -3.8 -27.1 -21.1 53 53 A H T 4 S- 0 0 10 18,-0.3 -1,-0.2 -16,-0.2 -16,-0.2 -0.215 128.4 -63.7 -82.8 48.3 -0.1 -26.1 -20.9 54 54 A G T 4 S+ 0 0 19 -2,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.696 83.0 169.9 82.4 18.2 -0.3 -24.5 -24.4 55 55 A H B < -B 51 0B 8 -4,-2.1 -4,-1.8 16,-0.0 2,-0.3 -0.371 8.3-177.4 -61.3 139.9 -1.0 -27.8 -26.1 56 56 A T + 0 0 68 -6,-0.2 2,-0.3 -2,-0.0 -6,-0.1 -0.974 22.6 100.8-133.1 151.4 -2.0 -27.3 -29.8 57 57 A G S > S- 0 0 45 -8,-0.5 3,-0.6 -2,-0.3 -8,-0.1 -0.958 77.7 -72.4 162.3-174.4 -3.1 -30.0 -32.3 58 58 A K T 3 S+ 0 0 222 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.380 113.2 71.3 -87.8 4.5 -5.8 -31.8 -34.1 59 59 A D T 3 + 0 0 88 2,-0.1 2,-0.6 0, 0.0 -1,-0.2 0.121 63.2 120.7-111.0 21.0 -6.9 -33.6 -31.0 60 60 A I < - 0 0 21 -3,-0.6 2,-0.9 -11,-0.1 3,-0.1 -0.779 52.3-149.7 -92.9 118.1 -8.5 -30.7 -29.0 61 61 A M > - 0 0 128 -2,-0.6 3,-2.0 1,-0.2 -2,-0.1 -0.775 6.5-154.7 -86.6 106.2 -12.2 -31.2 -28.2 62 62 A L T 3 S+ 0 0 95 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.784 89.7 47.8 -50.9 -34.3 -13.6 -27.7 -28.1 63 63 A G T 3 S+ 0 0 83 -23,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.370 92.2 104.4 -93.5 6.9 -16.5 -28.6 -25.8 64 64 A K < - 0 0 73 -3,-2.0 2,-0.7 1,-0.0 -3,-0.0 -0.664 61.2-145.5 -96.7 138.5 -14.4 -30.5 -23.2 65 65 A T - 0 0 96 -2,-0.3 -25,-0.2 -25,-0.1 2,-0.2 -0.926 29.6-144.0 -95.4 113.3 -13.2 -29.3 -19.8 66 66 A Y - 0 0 18 -27,-3.4 2,-0.2 -2,-0.7 -14,-0.1 -0.513 5.5-132.5 -81.4 147.6 -9.8 -30.9 -19.4 67 67 A T > - 0 0 72 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.633 24.2-111.8 -93.0 157.0 -8.4 -32.2 -16.1 68 68 A K H > S+ 0 0 120 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.882 120.7 53.9 -47.5 -46.3 -5.0 -31.4 -14.6 69 69 A A H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 109.4 47.5 -59.8 -44.1 -4.1 -35.0 -15.2 70 70 A E H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.868 110.4 52.7 -63.3 -38.2 -5.1 -34.8 -18.8 71 71 A a H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -18,-0.3 0.896 109.0 48.5 -67.0 -39.8 -3.1 -31.6 -19.2 72 72 A K H X S+ 0 0 120 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 109.1 53.6 -69.0 -41.9 0.1 -33.1 -17.8 73 73 A A H X S+ 0 0 59 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.856 109.8 48.0 -57.1 -38.3 -0.2 -36.2 -20.1 74 74 A L H X S+ 0 0 26 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.885 109.6 51.7 -72.2 -40.7 -0.5 -33.9 -23.1 75 75 A L H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.894 105.2 58.3 -60.2 -40.4 2.5 -31.8 -22.1 76 76 A N H X S+ 0 0 97 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.950 109.0 42.6 -56.5 -51.8 4.4 -35.1 -21.7 77 77 A K H X S+ 0 0 147 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.876 114.0 52.1 -59.6 -41.5 3.8 -36.1 -25.4 78 78 A D H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.882 107.8 51.4 -67.7 -36.8 4.5 -32.5 -26.6 79 79 A L H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.879 108.3 51.6 -66.5 -37.3 7.8 -32.4 -24.7 80 80 A A H X S+ 0 0 35 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.878 109.4 52.0 -65.2 -35.7 8.8 -35.7 -26.3 81 81 A T H X S+ 0 0 42 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.931 107.8 49.8 -64.6 -46.2 8.0 -34.2 -29.6 82 82 A V H X S+ 0 0 9 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.953 110.7 51.0 -56.9 -47.5 10.1 -31.1 -28.9 83 83 A A H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.933 109.9 49.3 -56.2 -48.2 13.0 -33.4 -28.0 84 84 A R H < S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.3 52.1 -55.1 -38.0 12.6 -35.4 -31.3 85 85 A Q H < S+ 0 0 76 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.865 123.7 20.4 -71.4 -37.4 12.6 -32.1 -33.2 86 86 A I H >X S+ 0 0 0 -4,-2.0 3,-1.9 -3,-0.2 4,-0.5 0.743 101.6 78.7-108.2 -28.1 15.8 -30.5 -31.8 87 87 A N G >< S+ 0 0 48 -4,-2.5 3,-1.6 -5,-0.3 -3,-0.1 0.865 90.6 56.4 -55.4 -41.4 18.0 -33.3 -30.3 88 88 A P G 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.659 105.8 55.1 -64.9 -13.2 19.3 -34.5 -33.7 89 89 A Y G <4 S+ 0 0 101 -3,-1.9 2,-0.7 1,-0.0 -2,-0.2 0.522 89.1 83.5 -96.5 -10.8 20.5 -30.9 -34.3 90 90 A I << + 0 0 15 -3,-1.6 4,-0.1 -4,-0.5 -1,-0.0 -0.880 54.3 176.9 -99.8 113.8 22.5 -30.8 -31.1 91 91 A K + 0 0 157 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 0.520 55.0 63.4-101.4 -10.7 25.9 -32.3 -31.9 92 92 A V S S- 0 0 41 1,-0.0 2,-0.2 0, 0.0 32,-0.1 -0.785 89.9 -97.4-113.7 159.2 27.8 -31.8 -28.6 93 93 A D + 0 0 157 -2,-0.3 -2,-0.1 33,-0.0 -1,-0.0 -0.551 44.2 178.9 -73.8 138.2 27.1 -33.1 -25.1 94 94 A I - 0 0 14 -2,-0.2 -4,-0.0 -4,-0.1 5,-0.0 -0.949 34.2 -93.9-135.2 156.1 25.2 -30.7 -22.9 95 95 A P > - 0 0 48 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.300 33.6-116.2 -68.1 158.9 24.0 -31.1 -19.3 96 96 A E H > S+ 0 0 86 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.898 117.0 56.6 -60.9 -40.9 20.5 -32.2 -18.7 97 97 A T H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 108.7 46.6 -56.9 -45.6 19.7 -28.9 -17.1 98 98 A M H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 112.5 48.5 -63.7 -40.4 20.8 -27.1 -20.2 99 99 A R H X S+ 0 0 39 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.890 110.4 52.5 -69.6 -36.8 18.9 -29.4 -22.5 100 100 A G H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.901 108.0 50.8 -61.7 -41.7 15.8 -29.0 -20.3 101 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.886 109.1 52.3 -62.6 -38.1 16.1 -25.2 -20.5 102 102 A L H X S+ 0 0 1 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.859 105.1 54.2 -68.0 -34.8 16.3 -25.6 -24.3 103 103 A Y H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.954 110.3 47.2 -62.3 -48.3 13.1 -27.7 -24.4 104 104 A S H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.916 113.8 48.1 -56.8 -45.5 11.3 -24.9 -22.6 105 105 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.938 114.7 44.0 -58.5 -52.6 12.8 -22.3 -24.9 106 106 A V H X S+ 0 0 3 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.799 106.6 61.1 -66.2 -30.1 11.9 -24.3 -28.1 107 107 A Y H < S+ 0 0 36 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.914 113.9 38.4 -63.6 -35.0 8.4 -25.0 -26.6 108 108 A N H < S+ 0 0 33 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.948 129.7 25.5 -77.2 -49.8 8.1 -21.2 -26.7 109 109 A V H < S- 0 0 24 -4,-3.0 4,-0.5 1,-0.1 -3,-0.2 0.516 106.3-115.9-102.7 -5.9 9.8 -20.2 -29.9 110 110 A G X - 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0 0 30 -4,-2.8 4,-1.5 -5,-0.2 -3,-0.1 0.162 20.4 -89.9 92.6 148.1 -2.5 -1.9 -30.8 277 111 B A H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.813 121.2 57.8 -65.6 -36.2 -2.8 1.9 -31.2 278 112 B G H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.956 107.6 47.5 -57.7 -51.0 0.9 2.5 -31.6 279 113 B N H 4 S+ 0 0 61 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 113.1 49.9 -57.9 -36.2 1.1 0.2 -34.5 280 114 B F H >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 6,-0.4 0.918 105.8 55.3 -68.1 -42.5 -2.0 1.8 -36.1 281 115 B R H 3< S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.821 114.4 38.8 -66.8 -31.2 -0.6 5.4 -35.7 282 116 B T T 3< S+ 0 0 120 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.243 94.3 122.5 -99.5 12.7 2.6 4.6 -37.6 283 117 B S <> - 0 0 4 -3,-1.5 4,-1.2 1,-0.1 3,-0.1 -0.451 65.8-138.9 -80.4 147.0 0.9 2.4 -40.2 284 118 B T H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.872 105.8 66.8 -63.4 -36.5 0.9 2.9 -43.9 285 119 B L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 98.6 49.0 -47.6 -50.3 -2.8 1.9 -43.6 286 120 B L H > S+ 0 0 10 -6,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.894 108.4 54.1 -62.2 -39.7 -3.6 5.0 -41.7 287 121 B R H X S+ 0 0 140 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.903 107.6 50.7 -58.9 -43.2 -1.7 7.1 -44.3 288 122 B K H <>S+ 0 0 51 -4,-2.3 5,-2.5 1,-0.2 3,-0.4 0.905 107.6 53.6 -61.1 -43.2 -3.9 5.6 -47.1 289 123 B I H ><5S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.942 108.6 48.7 -55.8 -47.6 -7.0 6.4 -45.2 290 124 B N H 3<5S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.712 103.3 59.7 -74.1 -18.4 -6.1 10.0 -44.9 291 125 B Q T 3<5S- 0 0 132 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.405 121.5-109.8 -81.9 3.0 -5.2 10.3 -48.6 292 126 B G T < 5S+ 0 0 48 -3,-1.8 2,-1.5 -4,-0.2 3,-0.2 0.620 79.4 136.3 76.2 13.8 -8.9 9.3 -49.1 293 127 B D >< + 0 0 67 -5,-2.5 4,-2.1 1,-0.2 5,-0.2 -0.500 18.7 160.8 -92.4 66.5 -7.7 6.0 -50.4 294 128 B I H > S+ 0 0 29 -2,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.889 70.2 47.0 -55.2 -47.1 -10.3 4.0 -48.5 295 129 B K H > S+ 0 0 49 -3,-0.2 4,-1.5 1,-0.2 3,-0.3 0.939 112.6 47.7 -65.1 -49.0 -10.1 0.9 -50.6 296 130 B G H > S+ 0 0 16 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.815 106.8 58.2 -61.6 -32.0 -6.3 0.7 -50.6 297 131 B A H < S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.890 103.8 53.4 -64.2 -37.8 -6.3 1.2 -46.9 298 132 B d H >< S+ 0 0 0 -4,-1.5 3,-1.1 -3,-0.3 4,-0.3 0.879 104.2 54.3 -65.6 -37.5 -8.4 -1.9 -46.6 299 133 B D H >< S+ 0 0 73 -4,-1.5 3,-2.0 1,-0.2 4,-0.3 0.822 94.5 70.7 -63.1 -31.1 -5.9 -4.0 -48.7 300 134 B Q G >< S+ 0 0 26 -4,-1.3 3,-1.7 1,-0.3 4,-0.4 0.732 78.9 77.0 -60.1 -23.9 -3.1 -3.0 -46.2 301 135 B L G X S+ 0 0 2 -3,-1.1 3,-1.5 -4,-0.4 -1,-0.3 0.830 82.9 68.2 -55.9 -28.9 -4.7 -5.2 -43.6 302 136 B R G < S+ 0 0 107 -3,-2.0 3,-0.3 -4,-0.3 -1,-0.3 0.763 88.5 62.4 -63.8 -27.0 -3.2 -8.0 -45.5 303 137 B R G < S+ 0 0 186 -3,-1.7 2,-0.9 -4,-0.3 3,-0.4 0.664 87.8 76.1 -72.4 -13.9 0.3 -7.0 -44.5 304 138 B W < + 0 0 62 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.318 63.6 98.0 -97.1 56.3 -0.5 -7.6 -40.9 305 139 B T + 0 0 6 -2,-0.9 7,-2.4 -3,-0.3 2,-0.3 0.208 58.9 95.8-127.1 13.3 -0.3 -11.4 -40.9 306 140 B Y E +F 311 0F 145 -3,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.815 36.8 159.8-107.4 147.4 3.2 -12.0 -39.5 307 141 B A E > +F 310 0F 31 3,-2.6 3,-1.5 -2,-0.3 -166,-0.1 -0.918 69.2 13.1-161.7 141.9 4.4 -12.7 -36.0 308 142 B G T 3 S- 0 0 46 -2,-0.3 3,-0.1 1,-0.2 -167,-0.1 0.802 131.7 -62.1 60.3 27.8 7.5 -14.3 -34.6 309 143 B G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -196,-0.0 -1,-0.2 0.490 119.4 98.2 81.3 5.0 9.0 -13.9 -38.1 310 144 B K E < S-F 307 0F 116 -3,-1.5 -3,-2.6 -5,-0.0 2,-0.3 -0.921 73.6-118.6-131.5 146.0 6.4 -16.2 -39.7 311 145 B Q E -F 306 0F 84 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.677 31.0-148.9 -85.3 141.7 3.1 -15.7 -41.5 312 146 B W > - 0 0 68 -7,-2.4 4,-2.3 -2,-0.3 3,-0.5 -0.933 17.1-146.3-121.3 129.8 0.0 -17.3 -39.8 313 147 B K H > S+ 0 0 73 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.870 102.8 56.4 -56.5 -39.6 -3.1 -18.7 -41.4 314 148 B G H > S+ 0 0 17 -268,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.843 108.4 45.9 -64.5 -34.4 -5.1 -17.5 -38.4 315 149 B L H > S+ 0 0 11 -3,-0.5 4,-2.6 -269,-0.3 5,-0.2 0.884 110.6 54.1 -74.4 -38.4 -4.0 -13.9 -38.9 316 150 B M H X S+ 0 0 79 -4,-2.3 4,-2.0 -11,-0.2 -2,-0.2 0.945 111.7 44.2 -59.9 -47.8 -4.6 -14.2 -42.7 317 151 B T H X S+ 0 0 83 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.946 112.7 52.4 -61.1 -46.9 -8.2 -15.3 -42.1 318 152 B R H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.876 111.0 46.8 -57.4 -39.5 -8.7 -12.6 -39.4 319 153 B R H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.828 107.8 55.8 -74.8 -33.1 -7.5 -9.9 -41.7 320 154 B E H X S+ 0 0 71 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.878 111.6 44.6 -62.4 -37.8 -9.7 -11.1 -44.6 321 155 B I H X S+ 0 0 24 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.904 114.7 47.1 -72.2 -44.1 -12.7 -10.9 -42.4 322 156 B E H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.893 110.8 54.3 -62.6 -37.2 -11.7 -7.5 -41.1 323 157 B R H X S+ 0 0 47 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.888 105.4 53.1 -62.5 -40.4 -11.0 -6.5 -44.6 324 158 B E H < S+ 0 0 65 -4,-1.6 4,-0.2 2,-0.2 -1,-0.2 0.902 110.8 44.0 -66.5 -44.6 -14.6 -7.5 -45.6 325 159 B I H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.872 109.6 60.0 -64.8 -35.5 -16.3 -5.4 -43.0 326 160 B d H 3< S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.3 4,-0.3 0.897 112.5 37.1 -54.1 -43.3 -13.8 -2.6 -44.0 327 161 B L T 3< S+ 0 0 29 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.338 84.3 113.7 -92.4 3.6 -15.2 -2.7 -47.5 328 162 B W S < S+ 0 0 66 -3,-1.1 3,-0.5 -4,-0.2 -1,-0.2 0.835 83.4 38.1 -47.4 -43.1 -18.8 -3.3 -46.3 329 163 B G S S+ 0 0 50 -3,-0.4 2,-0.7 -4,-0.4 -1,-0.2 0.957 115.1 50.5 -71.0 -50.3 -19.9 0.1 -47.6 330 164 B Q 0 0 71 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 -0.116 360.0 360.0 -91.7 38.4 -18.0 0.3 -50.8 331 165 B Q 0 0 118 -2,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.598 360.0 360.0 111.2 360.0 -18.9 -3.1 -52.3 332 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 333 1 C M 0 0 69 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.8 6.3 -10.4 -5.8 334 2 C P >> - 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0 0 29 -4,-2.8 4,-1.9 -5,-0.3 3,-0.2 0.233 20.9 -87.9 94.5 148.0 21.7 7.1 -22.5 608 111 D A H > S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.815 121.3 59.8 -60.7 -34.9 22.0 7.2 -26.3 609 112 D G H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 107.1 45.2 -59.9 -48.9 18.2 7.5 -26.8 610 113 D N H 4 S+ 0 0 47 -4,-0.4 4,-0.2 -3,-0.2 -1,-0.2 0.882 114.2 50.8 -61.8 -38.6 18.1 10.7 -24.9 611 114 D F H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 6,-0.4 0.931 106.7 53.5 -61.9 -44.6 21.1 11.9 -26.8 612 115 D R H 3< S+ 0 0 98 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.844 116.6 37.1 -65.8 -31.5 19.6 11.1 -30.2 613 116 D T T 3< S+ 0 0 117 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.301 95.9 122.8 -99.2 9.7 16.4 13.1 -29.6 614 117 D S <> - 0 0 4 -3,-1.4 4,-1.2 -4,-0.2 -3,-0.1 -0.385 66.4-138.3 -77.8 147.6 18.2 15.8 -27.7 615 118 D T H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.822 106.0 67.8 -64.2 -31.5 18.2 19.5 -28.5 616 119 D L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 99.1 48.0 -51.1 -51.6 21.9 19.3 -27.7 617 120 D L H > S+ 0 0 12 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.880 106.9 55.1 -61.0 -43.2 22.6 17.1 -30.7 618 121 D R H X S+ 0 0 180 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.921 108.1 49.6 -55.5 -46.6 20.7 19.4 -33.1 619 122 D K H ><>S+ 0 0 54 -4,-2.0 5,-1.1 1,-0.2 3,-0.7 0.904 105.4 57.6 -61.9 -41.1 22.8 22.4 -32.1 620 123 D I H ><5S+ 0 0 2 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.963 109.3 44.4 -51.3 -53.5 26.0 20.4 -32.6 621 124 D N H 3<5S+ 0 0 58 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.619 103.8 64.3 -74.5 -10.8 25.1 19.7 -36.2 622 125 D Q T <<5S- 0 0 126 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.173 118.0-112.7 -89.9 15.7 24.1 23.3 -36.7 623 126 D G T < 5S+ 0 0 47 -3,-1.6 2,-1.7 1,-0.2 -3,-0.2 0.238 78.6 133.9 74.2 -14.4 27.7 24.2 -36.1 624 127 D D >< + 0 0 59 -5,-1.1 4,-1.6 1,-0.2 -1,-0.2 -0.488 22.6 166.2 -76.0 85.0 26.6 25.9 -32.8 625 128 D I H > S+ 0 0 62 -2,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.887 72.5 46.9 -67.3 -45.9 29.2 24.5 -30.4 626 129 D K H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 110.9 53.5 -65.9 -42.0 28.7 26.8 -27.4 627 130 D G H > S+ 0 0 15 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.902 108.3 49.9 -58.7 -43.1 24.9 26.4 -27.6 628 131 D A H < S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.2 3,-0.3 0.907 108.4 51.7 -64.8 -43.7 25.3 22.6 -27.5 629 132 D h H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.898 106.8 55.1 -59.3 -37.5 27.5 22.8 -24.5 630 133 D D H >< S+ 0 0 60 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.820 94.0 69.4 -65.8 -31.1 24.9 25.0 -22.7 631 134 D Q G >< S+ 0 0 24 -4,-1.3 3,-2.1 -3,-0.3 -1,-0.3 0.702 79.2 78.6 -59.1 -21.2 22.3 22.4 -23.3 632 135 D L G X S+ 0 0 0 -3,-1.3 3,-1.8 -4,-0.5 -1,-0.3 0.832 82.3 66.2 -58.1 -29.2 24.0 20.1 -20.8 633 136 D R G < S+ 0 0 115 -3,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.592 88.4 66.6 -68.7 -8.7 22.4 22.3 -18.1 634 137 D R G < S+ 0 0 193 -3,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.535 91.4 67.8 -85.1 -5.9 19.0 21.0 -19.1 635 138 D W < + 0 0 45 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 -0.120 56.8 109.6-115.6 36.1 20.0 17.5 -17.9 636 139 D T S S- 0 0 39 -3,-0.5 -1,-0.2 7,-0.1 5,-0.2 0.706 73.5-135.5 -79.5 -19.7 20.2 17.8 -14.2 637 140 D Y 0 0 54 -3,-0.3 -163,-0.2 1,-0.2 -162,-0.1 0.747 360.0 360.0 60.4 22.8 17.1 15.7 -13.6 638 141 D A 0 0 113 -164,-0.1 -1,-0.2 -165,-0.1 -3,-0.0 0.395 360.0 360.0 96.2 360.0 16.2 18.4 -11.0 639 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 640 149 D L > 0 0 47 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 5.0 23.3 15.9 -11.2 641 150 D M H > + 0 0 118 2,-0.2 4,-1.5 1,-0.2 -6,-0.1 0.917 360.0 40.7 -60.3 -50.0 23.9 19.7 -11.1 642 151 D T H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 110.6 57.5 -76.3 -33.7 27.6 19.6 -10.5 643 152 D R H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 108.8 47.7 -55.3 -47.4 28.2 16.7 -12.9 644 153 D R H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.856 107.4 55.0 -65.7 -37.0 26.7 18.8 -15.7 645 154 D E H X S+ 0 0 67 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.904 110.5 46.2 -61.9 -42.1 28.7 21.9 -14.8 646 155 D I H X S+ 0 0 48 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.960 110.7 51.8 -64.5 -50.8 31.9 19.9 -15.1 647 156 D E H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.852 110.3 50.9 -55.6 -36.6 30.9 18.2 -18.4 648 157 D R H X S+ 0 0 47 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.899 106.2 53.0 -68.5 -42.6 30.1 21.7 -19.8 649 158 D E H X S+ 0 0 68 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.945 114.6 41.8 -59.7 -46.6 33.5 23.2 -18.8 650 159 D I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 4,-0.5 0.888 108.8 60.3 -63.2 -41.7 35.3 20.3 -20.6 651 160 D h H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.888 110.1 42.0 -53.3 -38.0 32.9 20.6 -23.5 652 161 D L H 3< S+ 0 0 41 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.507 90.8 99.7 -90.8 -8.7 34.0 24.2 -24.0 653 162 D W S << S+ 0 0 78 -3,-1.1 2,-1.5 -4,-0.5 -1,-0.2 0.931 74.6 48.9 -39.3 -67.1 37.7 23.5 -23.5 654 163 D G 0 0 33 -4,-0.5 -1,-0.2 1,-0.3 -59,-0.1 -0.547 360.0 360.0 -93.7 86.6 39.2 23.2 -27.0 655 164 D Q 0 0 125 -2,-1.5 -1,-0.3 -3,-0.1 -2,-0.1 0.130 360.0 360.0 160.1 360.0 37.6 26.4 -28.0