==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-98 1BB3 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.G.HEADLEY,S.M.ROE,L.H.PEARL . 260 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.8 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 0 2 0 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 K 0 0 72 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 140.8 24.4 28.4 58.1 2 2 A V B -A 39 0A 95 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.918 360.0-143.7-107.0 110.0 24.1 31.9 56.8 3 3 A F - 0 0 13 35,-2.5 2,-0.3 -2,-0.7 3,-0.0 -0.331 12.1-122.6 -69.3 151.5 26.7 32.5 54.1 4 4 A E > - 0 0 95 1,-0.1 4,-2.2 -2,-0.0 3,-0.3 -0.701 36.1-103.6 -90.0 151.4 28.5 35.8 53.8 5 5 A R H > S+ 0 0 86 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 0.885 115.8 35.1 -39.9 -68.7 28.0 37.4 50.3 6 6 A a H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.784 112.5 60.8 -63.7 -28.9 31.4 36.7 48.7 7 7 A E H > S+ 0 0 61 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.932 109.6 42.7 -63.6 -44.2 31.9 33.4 50.5 8 8 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 -3,-0.3 5,-0.3 0.917 110.7 56.4 -67.4 -42.8 28.8 32.1 48.7 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.927 109.6 45.6 -54.1 -47.9 29.8 33.6 45.4 10 10 A R H X S+ 0 0 110 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.874 112.5 51.2 -64.3 -38.4 33.1 31.7 45.5 11 11 A T H X S+ 0 0 25 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.927 110.9 47.2 -65.2 -46.2 31.4 28.5 46.5 12 12 A L H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 6,-0.3 0.885 111.8 50.9 -63.9 -39.0 28.9 28.7 43.7 13 13 A K H ><5S+ 0 0 84 -4,-2.1 3,-1.7 -5,-0.3 5,-0.2 0.924 108.9 51.8 -64.2 -42.6 31.7 29.5 41.2 14 14 A R H 3<5S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 106.6 54.2 -63.2 -30.3 33.6 26.5 42.4 15 15 A L T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.270 122.4-105.7 -89.5 12.5 30.5 24.3 41.9 16 16 A G T < 5S+ 0 0 41 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.805 79.9 129.7 72.1 33.4 30.3 25.4 38.3 17 17 A M > < + 0 0 0 -5,-2.3 3,-1.7 2,-0.1 2,-1.0 0.671 36.9 104.4 -91.5 -17.8 27.3 27.8 38.5 18 18 A D T 3 S- 0 0 76 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.511 105.0 -4.2 -69.2 103.1 28.8 30.7 36.7 19 19 A G T > S+ 0 0 37 4,-2.1 3,-2.8 -2,-1.0 -1,-0.3 0.435 87.4 166.4 94.5 1.1 27.2 30.7 33.3 20 20 A Y G X S- 0 0 45 -3,-1.7 3,-1.8 3,-0.5 -1,-0.3 -0.318 80.6 -10.4 -55.1 117.5 25.3 27.5 34.0 21 21 A R G 3 S- 0 0 156 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.849 132.9 -57.5 57.6 35.6 22.7 27.3 31.2 22 22 A G G < S+ 0 0 76 -3,-2.8 2,-0.6 1,-0.2 -1,-0.3 0.436 106.0 129.9 78.6 0.2 23.7 30.8 30.3 23 23 A I < - 0 0 27 -3,-1.8 -4,-2.1 -6,-0.1 -3,-0.5 -0.791 54.2-129.4 -94.9 123.0 22.9 32.3 33.8 24 24 A S >> - 0 0 47 -2,-0.6 4,-1.3 -5,-0.2 3,-0.6 -0.177 19.1-114.3 -65.3 157.9 25.5 34.5 35.4 25 25 A L H 3> S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.873 116.0 59.8 -59.5 -39.5 26.8 34.0 38.9 26 26 A A H 3> S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.825 103.4 51.9 -60.5 -31.9 25.3 37.4 39.9 27 27 A N H <> S+ 0 0 33 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.853 109.1 48.4 -73.6 -34.7 21.9 36.1 38.9 28 28 A W H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.894 112.5 50.3 -70.1 -38.5 22.3 33.0 41.1 29 29 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 108.0 52.0 -64.1 -43.9 23.4 35.2 43.9 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.879 109.5 51.2 -60.8 -37.5 20.4 37.5 43.5 31 31 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 5,-0.3 0.949 110.4 47.1 -64.3 -50.2 18.2 34.4 43.6 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 6,-1.3 0.887 111.1 53.7 -59.1 -40.8 19.8 33.1 46.9 33 33 A K H X5S+ 0 0 75 -4,-2.4 4,-1.0 4,-0.2 -1,-0.2 0.940 115.6 35.4 -61.5 -51.9 19.5 36.6 48.5 34 34 A W H <5S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.659 119.8 50.5 -79.8 -15.4 15.8 37.2 47.9 35 35 A E H <5S- 0 0 38 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.880 137.9 -11.1 -88.1 -41.9 14.8 33.5 48.4 36 36 A S H ><5S- 0 0 20 -4,-2.3 3,-0.6 20,-0.3 -3,-0.2 0.435 83.1-112.1-139.5 -3.6 16.6 32.8 51.7 37 37 A G T 3<> -B 51 0B 47 5,-3.3 4,-1.5 -2,-0.5 5,-0.8 -0.889 4.3-166.8-107.4 103.2 2.8 27.0 52.1 47 47 A A T 45S+ 0 0 69 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.729 80.6 69.9 -61.2 -23.3 -0.5 26.1 53.8 48 48 A G T 45S+ 0 0 82 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.964 121.0 9.5 -60.8 -56.6 -2.3 26.4 50.4 49 49 A D T 45S- 0 0 55 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.339 100.6-120.3-106.9 4.7 -0.8 23.4 48.8 50 50 A R T <5 + 0 0 140 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.728 69.8 131.6 63.9 24.2 0.8 21.9 51.9 51 51 A S E < -B 46 0B 0 -5,-0.8 -5,-3.3 19,-0.1 2,-0.4 -0.671 45.4-144.0-104.1 162.3 4.2 22.1 50.3 52 52 A T E -B 45 0B 16 -7,-0.2 9,-2.2 -2,-0.2 2,-0.5 -0.976 6.7-137.8-129.8 141.0 7.4 23.5 51.8 53 53 A D E -BC 44 60B 27 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.4 -0.852 29.0-153.7 -97.2 128.9 10.4 25.4 50.2 54 54 A Y E > -BC 43 59B 21 5,-2.7 5,-2.3 -2,-0.5 3,-0.4 -0.851 31.6 -22.6-114.4 142.2 13.7 24.2 51.5 55 55 A G T > 5S- 0 0 1 -13,-2.0 3,-1.2 -2,-0.4 -15,-0.2 -0.011 97.7 -29.3 73.1-170.6 17.2 25.7 51.9 56 56 A I T 3 5S+ 0 0 2 28,-0.4 -20,-0.3 1,-0.3 -18,-0.3 0.757 140.8 36.4 -56.7 -30.2 19.3 28.5 50.4 57 57 A F T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.375 105.6-126.2-105.7 1.4 17.5 28.3 47.0 58 58 A Q T < 5 - 0 0 13 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.953 34.2-168.8 51.9 61.3 14.1 27.5 48.5 59 59 A I E < -C 54 0B 3 -5,-2.3 -5,-2.7 25,-0.1 2,-0.2 -0.692 20.8-115.4 -85.2 130.6 13.4 24.3 46.5 60 60 A N E >>> -C 53 0B 23 -2,-0.4 4,-2.1 -7,-0.2 5,-1.0 -0.440 7.6-146.8 -75.5 135.5 9.8 23.0 46.6 61 61 A S T 345S+ 0 0 0 -9,-2.2 6,-0.3 1,-0.2 14,-0.2 0.509 92.9 66.7 -74.8 -7.8 8.8 19.7 48.2 62 62 A R T 345S+ 0 0 93 11,-0.2 12,-2.0 -10,-0.1 -1,-0.2 0.852 120.3 11.2 -83.4 -33.0 6.0 19.1 45.8 63 63 A Y T <45S+ 0 0 110 -3,-0.5 13,-2.8 10,-0.2 -2,-0.2 0.759 133.1 28.6-114.3 -31.4 8.2 18.7 42.7 64 64 A W T <5S+ 0 0 30 -4,-2.1 13,-2.4 11,-0.3 15,-0.5 0.855 110.7 25.8-106.1 -43.6 11.8 18.3 43.6 65 65 A c < - 0 0 0 -5,-1.0 2,-0.5 11,-0.1 10,-0.4 -0.869 68.7-120.4-124.6 161.2 12.6 16.8 46.9 66 66 A N B +d 80 0C 66 13,-2.4 15,-2.3 -2,-0.3 16,-0.4 -0.875 33.6 159.8-104.4 124.8 10.8 14.4 49.2 67 67 A D - 0 0 28 -2,-0.5 -1,-0.1 -6,-0.3 13,-0.1 0.329 51.0-125.5-118.8 3.5 9.9 15.5 52.8 68 68 A G S S+ 0 0 63 -7,-0.2 -2,-0.1 2,-0.1 12,-0.0 0.526 93.4 81.3 66.1 8.1 7.2 12.9 53.3 69 69 A K + 0 0 166 -8,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.411 68.5 85.9-122.8 -0.7 4.6 15.5 54.2 70 70 A T S > S- 0 0 16 -9,-0.2 3,-0.9 -18,-0.0 -2,-0.1 -0.896 70.3-127.9-113.9 130.0 3.4 16.9 50.9 71 71 A P T 3 S+ 0 0 74 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.380 91.6 18.1 -67.2 143.2 0.6 15.4 48.8 72 72 A G T 3 S+ 0 0 60 1,-0.2 2,-0.2 -2,-0.1 0, 0.0 0.779 83.4 174.4 67.9 27.6 1.3 14.8 45.1 73 73 A A < - 0 0 43 -3,-0.9 -10,-0.2 1,-0.1 -1,-0.2 -0.466 18.4-176.3 -70.6 137.1 5.1 14.9 45.6 74 74 A V - 0 0 91 -12,-2.0 -11,-0.2 -2,-0.2 -1,-0.1 0.688 17.2-153.3-104.1 -27.8 7.1 14.0 42.5 75 75 A N > + 0 0 11 -10,-0.4 3,-1.6 -14,-0.2 -11,-0.3 0.906 22.0 173.2 51.3 51.8 10.7 14.1 43.9 76 76 A A T 3 S+ 0 0 22 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.736 76.3 52.6 -61.8 -24.3 12.3 14.9 40.6 77 77 A d T 3 S- 0 0 11 -13,-2.4 -1,-0.3 2,-0.2 -12,-0.1 0.575 102.2-133.8 -87.2 -8.4 15.7 15.4 42.2 78 78 A H < + 0 0 33 -3,-1.6 96,-1.5 -14,-0.3 2,-0.3 0.953 65.5 124.0 53.3 52.3 15.5 11.9 43.9 79 79 A L - 0 0 8 -15,-0.5 -13,-2.4 94,-0.2 -1,-0.2 -0.999 68.7-116.6-146.2 138.4 16.6 13.6 47.1 80 80 A S B > -d 66 0C 45 -2,-0.3 3,-1.7 -15,-0.2 4,-0.2 -0.550 30.2-127.2 -71.7 139.0 15.3 13.9 50.7 81 81 A c G > S+ 0 0 0 -15,-2.3 3,-1.8 1,-0.3 -14,-0.1 0.748 104.0 73.0 -59.7 -24.6 14.5 17.6 51.4 82 82 A S G > S+ 0 0 78 -16,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.760 84.9 65.4 -63.8 -23.0 16.7 17.4 54.5 83 83 A A G X S+ 0 0 9 -3,-1.7 3,-0.6 1,-0.3 9,-0.3 0.658 94.1 61.9 -71.7 -14.4 19.8 17.3 52.3 84 84 A L G < S+ 0 0 6 -3,-1.8 -28,-0.4 -4,-0.2 -1,-0.3 0.303 94.1 63.4 -91.5 6.1 18.9 20.8 51.3 85 85 A L G < S+ 0 0 50 -3,-1.5 -1,-0.2 -30,-0.1 2,-0.2 0.058 80.2 113.8-117.1 23.4 19.2 22.0 54.9 86 86 A Q S < S- 0 0 55 -3,-0.6 6,-0.1 2,-0.2 -3,-0.0 -0.535 72.8-127.3 -93.1 160.9 23.0 21.3 55.2 87 87 A D S S+ 0 0 81 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 0.815 101.5 71.1 -73.2 -32.4 25.8 23.8 55.6 88 88 A N S S- 0 0 105 1,-0.1 3,-0.4 -48,-0.0 4,-0.3 -0.793 71.3-165.2 -86.7 116.4 27.5 22.1 52.7 89 89 A I > + 0 0 6 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.267 57.2 108.1 -90.1 12.8 25.4 23.1 49.6 90 90 A A H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 83.6 44.3 -53.7 -50.0 26.8 20.5 47.2 91 91 A D H > S+ 0 0 12 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.893 112.5 52.0 -62.2 -42.9 23.6 18.5 47.2 92 92 A A H > S+ 0 0 7 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.906 108.8 50.5 -61.3 -43.4 21.4 21.6 46.9 93 93 A V H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.877 106.5 54.6 -64.7 -37.6 23.3 22.8 43.9 94 94 A A H X S+ 0 0 12 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.853 113.0 43.3 -64.5 -34.1 23.0 19.4 42.1 95 95 A d H >X S+ 0 0 4 -4,-1.5 4,-2.7 2,-0.2 3,-0.5 0.884 109.7 56.0 -77.5 -40.1 19.2 19.6 42.5 96 96 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.909 103.4 55.8 -56.5 -43.7 19.1 23.3 41.5 97 97 A K H 3< S+ 0 0 41 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.828 110.2 45.7 -59.3 -32.2 20.9 22.4 38.3 98 98 A R H X< S+ 0 0 38 -4,-0.7 3,-1.3 -3,-0.5 -2,-0.2 0.891 108.4 56.5 -77.1 -41.4 18.1 19.9 37.6 99 99 A V H >< S+ 0 0 4 -4,-2.7 3,-1.2 1,-0.3 6,-0.3 0.896 105.9 49.5 -56.9 -44.5 15.3 22.4 38.5 100 100 A V T 3< S+ 0 0 3 -4,-2.3 -1,-0.3 1,-0.3 6,-0.2 0.516 92.2 77.3 -76.7 -3.8 16.5 24.9 36.0 101 101 A R T < S+ 0 0 37 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.485 78.1 94.0 -83.0 -1.3 16.6 22.4 33.2 102 102 A D S X S- 0 0 61 -3,-1.2 3,-1.3 -4,-0.2 6,-0.1 -0.497 99.3 -93.8 -84.7 160.9 12.8 22.6 33.0 103 103 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.793 122.3 49.1 -41.9 -47.1 11.2 25.1 30.5 104 104 A Q T > S- 0 0 111 1,-0.2 3,-1.8 2,-0.1 -4,-0.1 0.764 85.5-176.3 -70.3 -25.8 10.8 28.1 32.9 105 105 A G G X - 0 0 14 -3,-1.3 3,-1.5 -6,-0.3 -1,-0.2 -0.375 67.9 -12.1 64.1-141.3 14.4 27.8 34.1 106 106 A I G > S+ 0 0 8 1,-0.3 3,-1.3 -6,-0.2 -1,-0.3 0.617 124.0 80.9 -66.7 -13.2 15.3 30.3 36.8 107 107 A R G < + 0 0 125 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.492 67.7 88.1 -72.8 -0.8 12.0 32.1 36.1 108 108 A A G < S+ 0 0 42 -3,-1.5 2,-0.7 -6,-0.1 -1,-0.3 0.812 74.1 75.8 -66.1 -30.2 10.4 29.5 38.2 109 109 A W <> - 0 0 23 -3,-1.3 4,-1.9 1,-0.2 3,-0.3 -0.755 68.5-158.4 -88.9 116.8 11.0 31.6 41.3 110 110 A V H > S+ 0 0 77 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.868 92.0 56.6 -60.4 -39.3 8.6 34.6 41.6 111 111 A A H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.867 106.8 49.8 -61.7 -36.8 11.0 36.5 43.8 112 112 A W H >>S+ 0 0 18 -3,-0.3 4,-2.8 2,-0.2 5,-2.3 0.931 111.0 49.1 -67.5 -44.0 13.8 36.3 41.2 113 113 A R H <5S+ 0 0 70 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.913 117.6 41.7 -59.6 -43.0 11.4 37.5 38.5 114 114 A N H <5S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.828 130.0 22.5 -76.3 -34.2 10.3 40.4 40.8 115 115 A R H <5S+ 0 0 125 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.567 132.5 25.0-113.1 -9.9 13.7 41.4 42.2 116 116 A b T ><5S+ 0 0 1 -4,-2.8 3,-2.2 -5,-0.3 -3,-0.2 0.742 83.8 103.7-120.7 -47.3 16.4 40.2 39.8 117 117 A Q T 3 + 0 0 15 -2,-0.5 3,-1.2 1,-0.1 4,-0.3 0.166 40.6 110.2-121.4 16.2 22.7 42.6 39.5 122 122 A R G >> + 0 0 170 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.761 66.5 72.5 -62.8 -24.6 26.4 43.4 39.4 123 123 A Q G >4 S+ 0 0 106 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.816 84.2 66.6 -60.1 -33.8 26.3 44.4 43.1 124 124 A Y G <4 S+ 0 0 14 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.673 112.6 29.8 -65.3 -18.9 25.9 40.8 44.2 125 125 A V G X4 S+ 0 0 35 -3,-1.2 3,-1.7 -4,-0.3 5,-0.4 0.346 86.7 129.9-121.3 4.1 29.5 39.8 43.1 126 126 A Q T << S+ 0 0 119 -3,-0.6 -120,-0.1 -4,-0.6 -3,-0.0 -0.415 80.9 5.0 -64.9 126.2 31.2 43.2 43.4 127 127 A G T 3 S+ 0 0 82 -2,-0.2 -1,-0.3 3,-0.1 -121,-0.1 0.555 97.4 108.8 79.1 8.8 34.5 42.9 45.4 128 128 A a S < S- 0 0 6 -3,-1.7 -2,-0.1 2,-0.1 -1,-0.1 0.510 79.6-130.1 -93.8 -5.8 34.4 39.1 45.6 129 129 A G 0 0 81 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.907 360.0 360.0 58.3 43.6 37.2 38.5 43.2 130 130 A V 0 0 66 -5,-0.4 -1,-0.2 -117,-0.0 -3,-0.1 -0.677 360.0 360.0-112.9 360.0 35.2 36.0 41.2 131 !* 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 0.0 132 1 B K 0 0 77 0, 0.0 39,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 139.4 29.1 12.6 48.0 133 2 B V B -E 170 0D 36 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.919 360.0-142.3-108.1 108.1 28.3 14.7 44.9 134 3 B F - 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0 0 115 1,-0.1 3,-0.5 -5,-0.0 4,-0.3 -0.767 68.1-168.2 -84.9 113.3 33.0 4.9 47.3 220 89 B I > + 0 0 7 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.222 56.3 106.8 -90.5 17.1 31.0 3.8 44.2 221 90 B A H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 83.9 44.0 -59.7 -46.2 32.9 0.5 43.6 222 91 B D H > S+ 0 0 78 -3,-0.5 4,-1.9 -8,-0.2 -1,-0.2 0.865 112.4 53.7 -67.0 -36.3 30.0 -1.6 44.9 223 92 B A H > S+ 0 0 7 -4,-0.3 4,-2.0 -9,-0.3 -2,-0.2 0.892 109.4 47.6 -65.3 -40.1 27.5 0.5 43.0 224 93 B V H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.882 109.5 53.4 -69.2 -37.5 29.4 -0.1 39.7 225 94 B A H X S+ 0 0 58 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.884 112.0 45.2 -64.2 -38.3 29.7 -3.8 40.3 226 95 B h H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 3,-0.2 0.859 108.8 57.2 -73.3 -35.1 25.9 -4.0 40.8 227 96 B L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.878 101.4 56.0 -62.1 -39.8 25.3 -1.8 37.7 228 97 B K H < S+ 0 0 50 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.838 111.2 44.6 -62.6 -33.1 27.3 -4.3 35.5 229 98 B R H >< S+ 0 0 79 -4,-0.9 3,-1.0 -3,-0.2 4,-0.2 0.895 109.2 55.8 -77.4 -41.4 25.0 -7.0 36.6 230 99 B V H >< S+ 0 0 9 -4,-2.5 3,-1.0 1,-0.3 6,-0.3 0.898 109.4 46.2 -57.4 -43.2 21.8 -4.9 36.2 231 100 B V T 3< S+ 0 0 4 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.569 90.4 82.0 -79.0 -9.0 22.6 -4.2 32.6 232 101 B R T < S+ 0 0 126 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.562 77.0 97.4 -71.1 -6.2 23.5 -7.8 31.8 233 102 B D S < S- 0 0 61 -3,-1.0 3,-0.5 -4,-0.2 6,-0.1 -0.385 96.1-100.6 -79.1 160.8 19.7 -8.2 31.5 234 103 B P S S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.838 121.2 48.5 -49.0 -43.0 17.9 -8.1 28.1 235 104 B Q S > S+ 0 0 108 1,-0.2 3,-1.5 2,-0.1 -4,-0.1 0.844 85.7 175.8 -70.3 -34.8 16.8 -4.5 28.4 236 105 B G G > - 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