==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-AUG-10 3OK0 . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR F.O'MEARA,J.BRADLEY,P.E.O'ROURKE,H.WEBB,B.M.TYNAN-CONNOLLY, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 K 0 0 88 0, 0.0 39,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 140.1 10.4 2.3 9.8 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.3 38,-0.1 36,-0.1 -0.928 360.0-146.6-104.2 111.8 13.8 2.4 11.6 3 3 A F - 0 0 15 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.388 7.8-125.0 -73.8 151.1 15.2 -1.2 11.7 4 4 A G > - 0 0 34 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.578 32.2-110.7 -80.0 161.8 17.2 -2.7 14.4 5 5 A R H > S+ 0 0 88 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.945 116.6 39.3 -61.8 -52.7 20.5 -4.2 13.2 6 6 A a H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 113.6 55.7 -66.7 -39.2 19.6 -7.9 13.8 7 7 A E H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 110.8 44.7 -59.5 -42.1 16.0 -7.4 12.6 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.916 109.8 55.2 -69.7 -42.5 17.3 -6.0 9.3 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.943 110.8 46.4 -49.7 -50.1 19.9 -8.8 9.0 10 10 A A H X S+ 0 0 44 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.905 112.1 49.3 -62.5 -41.2 17.0 -11.3 9.3 11 11 A A H X S+ 0 0 21 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.910 112.1 48.1 -66.5 -41.5 14.8 -9.6 6.9 12 12 A M H <>S+ 0 0 1 -4,-3.0 5,-2.3 2,-0.2 6,-0.3 0.875 110.3 52.8 -66.9 -38.6 17.6 -9.3 4.3 13 13 A K H ><5S+ 0 0 88 -4,-2.3 3,-1.7 -5,-0.3 -2,-0.2 0.932 107.6 50.9 -59.6 -44.3 18.4 -13.0 4.8 14 14 A R H 3<5S+ 0 0 195 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.6 53.9 -67.0 -28.3 14.8 -14.0 4.2 15 15 A H T 3<5S- 0 0 30 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.361 122.2-105.3 -93.8 8.4 14.8 -12.0 0.9 16 16 A G T < 5S+ 0 0 37 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.639 80.5 126.5 86.6 23.0 17.9 -13.8 -0.3 17 17 A L > < + 0 0 0 -5,-2.3 3,-2.0 2,-0.1 2,-0.4 0.703 36.5 108.6 -86.6 -17.0 20.7 -11.2 0.1 18 18 A D T 3 S- 0 0 66 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.482 105.3 -10.1 -65.5 117.0 23.1 -13.4 2.1 19 19 A N T > S+ 0 0 95 4,-1.3 3,-2.2 -2,-0.4 2,-0.3 0.572 88.3 165.4 58.7 21.6 25.9 -14.2 -0.4 20 20 A Y B X S-B 23 0B 71 -3,-2.0 3,-1.5 3,-0.6 -1,-0.2 -0.489 80.4 -7.5 -63.4 123.2 24.0 -12.8 -3.3 21 21 A R T 3 S- 0 0 162 -2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.784 134.9 -57.9 51.3 32.4 26.6 -12.4 -6.0 22 22 A G T < S+ 0 0 60 -3,-2.2 2,-0.7 1,-0.2 -1,-0.2 0.549 104.1 128.9 88.6 0.1 29.2 -13.3 -3.4 23 23 A Y B < -B 20 0B 47 -3,-1.5 -4,-1.3 -6,-0.2 -3,-0.6 -0.858 52.7-136.7 -99.6 109.5 28.5 -10.5 -0.9 24 24 A S >> - 0 0 43 -2,-0.7 3,-1.6 -6,-0.2 4,-0.9 -0.159 27.9-101.0 -58.9 156.1 27.9 -11.9 2.6 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.806 118.0 64.9 -49.5 -43.0 25.1 -10.5 4.8 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.830 97.2 57.9 -52.4 -34.5 27.4 -8.2 6.8 27 27 A N H <> S+ 0 0 22 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.923 107.8 45.5 -61.5 -45.0 28.1 -6.2 3.6 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.874 114.2 47.4 -67.4 -42.8 24.4 -5.5 3.1 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 112.7 49.3 -64.5 -42.5 23.8 -4.5 6.7 30 30 A b H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.916 110.9 50.3 -61.6 -46.6 26.9 -2.3 6.8 31 31 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.933 111.8 47.7 -61.4 -40.4 25.8 -0.6 3.6 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 6,-1.2 0.881 109.1 55.4 -65.1 -40.7 22.3 0.1 5.0 33 33 A K H X5S+ 0 0 61 -4,-2.3 4,-1.6 4,-0.2 -2,-0.2 0.955 116.5 34.1 -60.2 -46.4 23.7 1.4 8.3 34 34 A F H <5S+ 0 0 58 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.817 119.5 50.4 -86.9 -22.9 25.9 4.1 6.6 35 35 A A H <5S- 0 0 21 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.925 137.5 -4.7 -74.2 -44.7 23.5 4.9 3.7 36 36 A S H ><5S- 0 0 12 -4,-2.3 3,-1.3 19,-0.4 -3,-0.2 0.386 85.2-114.7-133.0 -1.8 20.3 5.4 5.8 37 37 A N T 3< - 0 0 54 4,-3.2 3,-1.9 -2,-0.3 -1,-0.0 -0.613 25.0-110.4-106.4 164.1 22.2 15.1 -5.0 47 47 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.870 115.2 62.1 -65.0 -31.0 23.8 18.0 -6.9 48 48 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.483 121.2-105.6 -72.2 -0.8 22.8 16.5 -10.3 49 49 A G S < S+ 0 0 22 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.342 84.6 119.8 94.0 -9.9 19.2 16.8 -9.3 50 50 A S - 0 0 1 19,-0.1 -4,-3.2 -5,-0.0 -1,-0.4 -0.365 52.0-143.4 -81.6 167.7 18.6 13.1 -8.7 51 51 A T E -C 45 0C 3 -6,-0.3 9,-1.9 -2,-0.1 2,-0.4 -0.987 5.1-134.6-134.0 144.9 17.6 11.8 -5.2 52 52 A D E -CD 44 59C 31 -8,-2.9 -8,-1.9 -2,-0.4 2,-0.4 -0.841 27.2-156.8 -99.4 135.9 18.5 8.7 -3.3 53 53 A Y E > -CD 43 58C 22 5,-1.9 5,-2.0 -2,-0.4 3,-0.4 -0.952 31.3 -20.9-125.1 130.5 15.7 6.7 -1.6 54 54 A G T > 5S- 0 0 0 -12,-2.9 3,-1.2 -2,-0.4 30,-0.2 -0.168 97.3 -25.0 86.7-168.3 15.3 4.3 1.2 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.784 140.2 31.5 -59.9 -33.0 17.2 1.9 3.2 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.256 106.4-121.5-114.0 15.1 19.8 1.4 0.6 57 57 A Q T < 5 - 0 0 21 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.913 35.0-167.4 53.7 54.2 19.7 4.9 -1.0 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-1.9 25,-0.1 2,-0.2 -0.610 18.2-120.2 -77.5 134.0 18.8 3.9 -4.5 59 59 A N E >> -D 52 0C 25 -2,-0.3 4,-2.1 -7,-0.2 5,-0.5 -0.517 5.8-145.5 -95.9 142.9 19.2 6.7 -7.0 60 60 A S T 45S+ 0 0 0 -9,-1.9 14,-0.3 1,-0.2 6,-0.2 0.530 90.9 72.2 -81.3 -11.5 16.5 8.2 -9.3 61 61 A R T 45S+ 0 0 60 -10,-0.2 12,-2.5 11,-0.1 13,-0.3 0.924 121.2 6.2 -70.8 -39.9 18.7 8.9 -12.3 62 62 A W T 45S+ 0 0 127 -3,-0.4 13,-2.7 10,-0.2 -2,-0.2 0.779 131.7 36.1-103.3 -37.9 19.0 5.1 -13.1 63 63 A W T <5S+ 0 0 29 -4,-2.1 13,-1.9 11,-0.3 15,-0.3 0.743 107.6 21.2-111.5 -22.5 16.8 2.9 -11.0 64 64 A c < - 0 0 0 -5,-0.5 2,-0.6 11,-0.1 10,-0.4 -0.934 67.6-114.5-150.2 157.6 13.4 4.4 -10.0 65 65 A N B +e 79 0D 77 13,-2.3 15,-2.0 -2,-0.3 16,-0.4 -0.903 32.3 162.7-102.6 119.8 11.0 7.1 -11.2 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.238 52.0-120.5-113.5 8.3 10.4 10.1 -9.0 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.490 99.0 68.7 67.5 5.1 8.9 12.3 -11.7 68 68 A R + 0 0 120 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.210 68.9 87.4-138.1 18.0 11.5 15.1 -11.2 69 69 A T S > S- 0 0 7 -9,-0.1 3,-0.9 -18,-0.0 -2,-0.1 -0.890 75.8-137.0-117.7 92.9 14.9 13.7 -12.5 70 70 A P T 3 S+ 0 0 111 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.307 79.2 9.2 -62.3 141.9 14.9 14.5 -16.3 71 71 A G T 3 S+ 0 0 77 1,-0.2 2,-0.2 2,-0.0 -10,-0.0 0.853 88.3 160.1 63.9 34.6 16.1 11.8 -18.7 72 72 A S < - 0 0 31 -3,-0.9 -1,-0.2 1,-0.1 -10,-0.2 -0.631 37.3-143.3 -91.0 157.4 16.2 9.2 -16.0 73 73 A R - 0 0 157 -12,-2.5 -11,-0.2 -2,-0.2 -10,-0.1 0.621 11.0-154.7-102.0 -22.3 16.1 5.5 -17.0 74 74 A N > + 0 0 41 -10,-0.4 3,-1.1 -14,-0.3 -11,-0.3 0.852 21.8 170.9 46.5 58.8 14.0 3.8 -14.3 75 75 A L T 3 S+ 0 0 77 -13,-2.7 -12,-0.2 1,-0.3 -11,-0.1 0.713 72.8 56.0 -75.3 -23.8 15.5 0.2 -14.6 76 76 A d T 3 S- 0 0 8 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.522 101.9-133.8 -83.5 -5.6 13.8 -1.2 -11.6 77 77 A N < + 0 0 141 -3,-1.1 -13,-0.1 1,-0.2 -2,-0.1 0.917 64.7 113.0 52.9 54.7 10.4 -0.2 -13.1 78 78 A I S S- 0 0 32 -15,-0.3 -13,-2.3 16,-0.0 2,-0.2 -0.998 73.9-105.5-150.9 144.7 9.1 1.2 -9.8 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.556 34.3-124.7 -70.4 142.9 8.2 4.6 -8.4 80 80 A c G > S+ 0 0 1 -15,-2.0 3,-1.9 1,-0.3 4,-0.2 0.851 108.4 69.0 -58.8 -31.4 10.9 5.7 -6.0 81 81 A S G > S+ 0 0 84 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.792 86.8 67.7 -53.8 -31.6 8.3 6.1 -3.2 82 82 A A G X S+ 0 0 32 -3,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.757 91.8 63.0 -57.4 -28.7 8.0 2.3 -3.2 83 83 A L G < S+ 0 0 3 -3,-1.9 -28,-0.6 -4,-0.4 -1,-0.3 0.473 93.3 61.5 -76.8 -3.9 11.5 2.2 -1.8 84 84 A L G < S+ 0 0 40 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.444 77.8 121.1-104.3 0.3 10.5 4.1 1.3 85 85 A S S < S- 0 0 54 -3,-0.9 6,-0.1 -4,-0.2 -3,-0.0 -0.127 73.1-123.5 -59.3 154.6 8.1 1.4 2.5 86 86 A S S S+ 0 0 74 2,-0.1 2,-0.6 1,-0.0 -1,-0.1 0.755 102.2 76.3 -72.5 -18.6 8.5 -0.4 5.9 87 87 A D S > S- 0 0 86 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.852 74.0-158.3 -93.5 121.0 8.5 -3.6 3.8 88 88 A I T 3> + 0 0 6 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.381 62.1 105.9 -83.3 1.5 12.0 -3.8 2.2 89 89 A T H 3> S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 80.9 45.7 -50.7 -49.2 11.0 -6.1 -0.7 90 90 A A H <> S+ 0 0 28 -3,-0.5 4,-2.2 -8,-0.3 5,-0.2 0.901 113.8 50.6 -64.3 -39.9 11.1 -3.5 -3.4 91 91 A S H > S+ 0 0 5 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.926 112.4 45.9 -61.7 -44.5 14.4 -2.2 -2.1 92 92 A V H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.923 111.6 51.6 -65.3 -46.1 15.9 -5.7 -2.1 93 93 A N H X S+ 0 0 82 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.879 113.3 44.2 -59.8 -43.5 14.6 -6.6 -5.5 94 94 A d H >X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 3,-0.5 0.913 110.0 55.9 -67.7 -43.7 16.1 -3.4 -7.0 95 95 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.854 101.7 57.3 -54.2 -38.9 19.4 -3.8 -5.2 96 96 A K H 3X S+ 0 0 47 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.883 107.8 47.6 -60.7 -36.2 19.8 -7.3 -6.7 97 97 A K H << S+ 0 0 106 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.905 113.2 49.1 -72.4 -41.3 19.6 -5.7 -10.2 98 98 A I H >< S+ 0 0 7 -4,-2.2 3,-1.6 1,-0.2 5,-0.3 0.930 110.5 48.1 -60.1 -48.2 22.1 -3.0 -9.2 99 99 A V H 3< S+ 0 0 5 -4,-2.5 3,-0.4 1,-0.3 5,-0.3 0.701 109.0 55.2 -73.0 -19.0 24.7 -5.4 -7.7 100 100 A S T 3< S+ 0 0 36 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.414 85.5 93.4 -84.1 -1.2 24.5 -7.5 -10.8 101 101 A D S < S- 0 0 116 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 0.582 106.2 -88.3 -77.2 -12.4 25.3 -4.5 -13.0 102 102 A G S S+ 0 0 72 -3,-0.4 -3,-0.1 -4,-0.1 -1,-0.1 -0.189 116.9 61.9 133.2 -48.3 29.1 -4.8 -13.4 103 103 A N S > S- 0 0 115 -5,-0.3 3,-1.6 1,-0.3 4,-0.1 0.347 83.0-153.1-100.2 6.1 30.6 -2.8 -10.5 104 104 A G G > - 0 0 9 -5,-0.3 3,-1.2 1,-0.2 -1,-0.3 -0.289 68.6 -17.6 60.4-143.4 29.1 -5.0 -7.7 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 7,-0.3 0.556 115.9 91.8 -79.9 -1.6 28.6 -3.2 -4.4 106 106 A N G < + 0 0 44 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.722 69.4 79.4 -63.9 -13.3 31.0 -0.3 -5.5 107 107 A A G < S+ 0 0 62 -3,-1.2 2,-0.7 1,-0.1 -1,-0.3 0.725 82.8 71.1 -63.9 -21.1 27.7 1.2 -6.8 108 108 A W <> - 0 0 17 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.850 69.2-162.9-101.3 113.2 27.1 2.3 -3.2 109 109 A V H > S+ 0 0 90 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.872 91.2 54.2 -63.1 -36.1 29.5 5.0 -2.1 110 110 A A H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.922 109.9 48.7 -68.0 -38.8 28.9 4.4 1.6 111 111 A W H >>S+ 0 0 13 2,-0.2 5,-3.1 3,-0.2 4,-2.3 0.952 112.4 46.4 -60.8 -53.0 29.8 0.7 1.1 112 112 A R H <5S+ 0 0 114 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.905 121.4 37.8 -59.8 -35.1 33.0 1.5 -0.8 113 113 A N H <5S+ 0 0 100 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.751 132.2 20.0 -93.4 -20.5 34.1 4.1 1.7 114 114 A R H <5S+ 0 0 138 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.525 131.4 27.7-124.3 -10.9 33.0 2.6 5.0 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.2 -5,-0.4 -3,-0.2 0.709 85.5 100.7-121.1 -47.1 32.5 -1.1 4.6 116 116 A K T 3 + 0 0 99 -2,-0.2 3,-1.3 1,-0.2 4,-0.2 -0.582 52.3 174.0 -81.7 87.5 35.4 -6.7 9.2 120 120 A V G > + 0 0 15 -2,-1.9 3,-1.8 1,-0.3 4,-0.3 0.711 64.8 75.9 -74.6 -16.2 31.8 -6.7 7.9 121 121 A Q G >> S+ 0 0 93 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.779 78.8 76.0 -65.9 -22.5 30.8 -9.9 9.9 122 122 A A G X4 S+ 0 0 41 -3,-1.3 3,-0.8 1,-0.3 -1,-0.3 0.804 84.6 65.8 -52.3 -31.5 30.8 -7.6 13.0 123 123 A W G <4 S+ 0 0 58 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.676 108.3 35.7 -71.1 -19.4 27.4 -6.3 11.6 124 124 A I G X4 S+ 0 0 31 -3,-1.9 3,-1.6 -4,-0.3 -1,-0.2 0.364 86.7 126.6-114.1 7.0 25.7 -9.6 12.1 125 125 A R T << S+ 0 0 126 -3,-0.8 3,-0.1 -4,-0.6 -119,-0.0 -0.323 76.6 17.8 -67.9 133.7 27.5 -10.7 15.3 126 126 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -2,-0.0 -1,-0.3 0.338 95.8 127.4 91.2 -14.2 25.1 -11.5 18.1 127 127 A a < - 0 0 23 -3,-1.6 2,-1.0 1,-0.1 -1,-0.2 -0.590 63.1-126.5 -86.0 142.2 22.1 -12.0 15.8 128 128 A R 0 0 238 -2,-0.3 -1,-0.1 1,-0.2 -118,-0.0 -0.750 360.0 360.0 -81.6 108.5 19.8 -15.0 15.7 129 129 A L 0 0 96 -2,-1.0 -1,-0.2 -5,-0.1 -2,-0.0 0.428 360.0 360.0-133.0 360.0 19.9 -15.9 12.0