==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-APR-10 2XBR . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR P.CARPENTIER,A.ROYANT,M.WEIK,D.BOURGEOIS . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 32 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 84 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 135.2 -2.0 10.6 19.0 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.926 360.0-151.6-102.6 109.7 -2.1 13.9 20.8 3 3 A F - 0 0 12 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.473 10.0-124.4 -76.8 149.6 1.5 15.3 20.9 4 4 A G > - 0 0 34 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.532 33.7-106.1 -77.0 161.7 2.9 17.6 23.4 5 5 A R H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 118.9 36.0 -55.6 -55.7 4.4 20.8 22.1 6 6 A a H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 114.3 58.1 -69.2 -33.1 8.1 19.8 22.6 7 7 A E H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.906 109.8 43.9 -58.4 -45.6 7.4 16.3 21.6 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.901 110.9 54.6 -69.7 -37.4 6.0 17.4 18.2 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.941 109.9 46.9 -58.3 -47.4 8.9 19.9 17.7 10 10 A A H X S+ 0 0 44 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.916 112.6 49.0 -60.9 -44.2 11.3 17.0 18.2 11 11 A A H X S+ 0 0 18 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.903 111.3 50.0 -64.6 -38.3 9.4 14.7 15.8 12 12 A M H <>S+ 0 0 1 -4,-2.9 5,-2.6 1,-0.2 6,-0.4 0.906 112.1 48.1 -66.8 -40.9 9.2 17.5 13.1 13 13 A K H ><5S+ 0 0 84 -4,-2.4 3,-2.1 -5,-0.2 -2,-0.2 0.924 107.4 55.4 -63.7 -42.5 13.0 18.1 13.5 14 14 A R H 3<5S+ 0 0 178 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 109.0 48.6 -62.1 -31.2 13.7 14.4 13.2 15 15 A H T 3<5S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.184 121.3-105.0 -98.0 17.8 11.8 14.3 9.9 16 16 A G T < 5S+ 0 0 37 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.740 83.1 125.1 79.3 18.2 13.7 17.3 8.5 17 17 A L > < + 0 0 0 -5,-2.6 3,-2.3 -6,-0.1 -4,-0.2 0.717 38.1 113.1 -83.0 -18.1 11.0 20.0 8.8 18 18 A D T 3 S- 0 0 76 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.332 101.1 -13.0 -57.2 114.6 13.3 22.3 10.8 19 19 A N T > S+ 0 0 101 4,-1.2 3,-2.4 1,-0.2 -1,-0.3 0.647 91.0 165.7 65.5 14.6 14.0 25.4 8.6 20 20 A Y B X S-B 23 0B 71 -3,-2.3 3,-2.0 3,-0.6 -1,-0.2 -0.455 76.2 -1.0 -64.4 131.3 12.5 23.5 5.6 21 21 A R T 3 S- 0 0 160 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.749 134.8 -62.6 55.8 25.8 11.9 26.2 2.9 22 22 A G T < S+ 0 0 57 -3,-2.4 2,-0.7 1,-0.2 -1,-0.3 0.490 103.4 132.8 81.5 5.9 13.2 28.7 5.4 23 23 A Y B < -B 20 0B 47 -3,-2.0 -4,-1.2 -6,-0.1 -3,-0.6 -0.804 52.0-134.8 -99.5 113.2 10.4 28.1 8.0 24 24 A S >> - 0 0 45 -2,-0.7 4,-1.4 -5,-0.2 3,-1.2 -0.182 26.3-102.8 -60.5 161.8 11.8 27.6 11.5 25 25 A L H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.854 119.6 61.0 -56.9 -36.0 10.5 24.9 13.7 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.841 100.9 55.3 -61.6 -35.7 8.3 27.3 15.8 27 27 A N H <> S+ 0 0 21 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.935 109.8 45.4 -61.4 -43.6 6.3 28.1 12.6 28 28 A W H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.879 114.4 47.5 -68.3 -41.0 5.5 24.5 12.0 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.947 111.7 51.1 -64.5 -44.0 4.6 23.8 15.6 30 30 A b H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.925 110.4 49.2 -57.4 -48.3 2.4 26.9 15.6 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.944 111.7 48.4 -57.8 -46.6 0.6 25.7 12.4 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-1.2 0.906 108.0 55.9 -62.1 -39.5 0.0 22.3 13.9 33 33 A K H X5S+ 0 0 63 -4,-2.6 4,-1.5 4,-0.2 -1,-0.2 0.945 116.4 35.0 -53.6 -52.4 -1.4 23.9 17.2 34 34 A F H <5S+ 0 0 59 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.748 119.4 49.5 -84.3 -18.9 -4.0 25.9 15.3 35 35 A E H <5S- 0 0 39 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.907 138.6 -6.2 -79.8 -41.8 -4.7 23.3 12.6 36 36 A S H ><5S- 0 0 12 -4,-2.5 3,-1.7 19,-0.4 -3,-0.2 0.377 84.2-116.1-134.8 -0.4 -5.2 20.2 14.7 37 37 A N T 3< - 0 0 39 4,-3.1 3,-2.1 -2,-0.2 -1,-0.0 -0.734 24.1-109.1 -96.8 158.2 -14.8 21.8 4.1 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.793 117.7 58.1 -54.5 -34.0 -17.9 23.5 2.7 48 48 A D T 3 S- 0 0 100 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.384 122.4-102.3 -81.2 -0.9 -16.9 22.3 -0.8 49 49 A G S < S+ 0 0 22 -3,-2.1 -2,-0.1 1,-0.4 2,-0.1 0.241 85.9 117.4 97.8 -10.9 -17.0 18.7 0.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.346 54.6-139.5 -72.5 171.5 -13.2 18.1 0.5 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.6 -3,-0.1 2,-0.4 -0.979 2.3-136.1-134.1 149.9 -11.8 17.2 4.0 52 52 A D E -CD 44 59C 23 -8,-2.9 -8,-2.1 -2,-0.3 2,-0.4 -0.842 26.8-157.7-104.8 136.8 -8.6 18.2 5.8 53 53 A Y E > -CD 43 58C 23 5,-1.8 5,-2.2 -2,-0.4 3,-0.4 -0.958 30.7 -20.4-127.7 131.5 -6.6 15.4 7.6 54 54 A G T > 5S- 0 0 0 -12,-2.8 3,-1.6 -2,-0.4 30,-0.2 -0.178 98.6 -24.1 88.0-170.9 -4.1 15.1 10.4 55 55 A I T 3 5S+ 0 0 4 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.789 141.7 32.0 -56.1 -32.1 -1.7 17.2 12.4 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.209 105.6-122.7-114.5 13.4 -1.4 19.8 9.5 57 57 A Q T < 5 - 0 0 17 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.886 35.1-165.5 50.8 52.6 -5.0 19.5 8.1 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-1.8 25,-0.1 2,-0.3 -0.535 16.8-121.8 -77.1 137.7 -3.9 18.6 4.6 59 59 A N E >> -D 52 0C 41 -2,-0.3 4,-2.3 -7,-0.2 3,-1.2 -0.607 8.4-148.1 -92.9 134.3 -6.8 18.9 2.1 60 60 A S T 34 S+ 0 0 0 -9,-2.6 6,-0.2 -2,-0.3 -1,-0.1 0.510 90.1 81.2 -70.0 -10.9 -8.1 16.1 -0.1 61 61 A R T 34 S- 0 0 84 11,-0.2 12,-1.7 -10,-0.1 -1,-0.3 0.818 121.2 -4.3 -64.2 -36.3 -9.0 18.8 -2.9 62 62 A W T <4 S+ 0 0 105 -3,-1.2 13,-3.0 10,-0.2 -2,-0.2 0.595 132.0 44.0-121.8 -36.1 -5.2 18.6 -4.0 63 63 A W S < S+ 0 0 30 -4,-2.3 13,-2.1 11,-0.3 2,-0.3 0.749 103.5 21.5-108.2 -28.4 -3.0 16.5 -1.9 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 -1,-0.1 -0.957 69.0-111.4-139.8 163.3 -4.4 13.1 -0.9 65 65 A N B +e 79 0D 80 13,-2.6 15,-2.6 -2,-0.3 16,-0.4 -0.866 35.9 157.5-100.9 128.6 -7.0 10.7 -2.0 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 -6,-0.2 8,-0.0 0.352 51.5-124.3-121.4 3.5 -10.1 10.0 0.1 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.470 96.5 72.6 72.2 -4.1 -12.4 8.7 -2.6 68 68 A R + 0 0 119 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.114 66.0 89.2-131.7 21.1 -15.1 11.2 -2.0 69 69 A T > - 0 0 14 -9,-0.1 3,-2.1 3,-0.0 -2,-0.1 -0.762 69.8-146.1-121.6 87.9 -13.8 14.6 -3.3 70 70 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -20,-0.0 -0.316 78.6 12.0 -57.1 136.9 -14.9 14.8 -6.9 71 71 A G T 3 S+ 0 0 74 1,-0.3 -10,-0.0 -2,-0.1 2,-0.0 0.396 99.2 131.5 90.8 -6.9 -12.6 16.5 -9.3 72 72 A S < - 0 0 29 -3,-2.1 -1,-0.3 1,-0.1 -10,-0.2 -0.248 48.3-134.1 -79.5 168.1 -9.8 16.6 -6.8 73 73 A R - 0 0 143 -12,-1.7 -9,-0.4 -13,-0.1 -1,-0.1 -0.645 5.1-142.5-110.6-177.5 -6.1 15.5 -7.2 74 74 A N > + 0 0 49 -2,-0.2 3,-2.1 -11,-0.2 -11,-0.3 -0.573 31.3 162.7-143.5 63.9 -3.7 13.4 -5.0 75 75 A L T 3 S+ 0 0 61 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.749 74.4 52.4 -72.0 -23.0 -0.4 15.2 -5.4 76 76 A d T 3 S- 0 0 10 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.504 104.1-132.1 -84.4 -4.5 1.2 13.6 -2.4 77 77 A N < + 0 0 130 -3,-2.1 -13,-0.1 1,-0.2 -2,-0.1 0.917 65.5 115.0 54.4 55.3 0.3 10.2 -3.8 78 78 A I S S- 0 0 43 -15,-0.3 -13,-2.6 16,-0.0 -1,-0.2 -0.998 73.3-105.3-150.2 146.0 -1.1 9.0 -0.5 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.517 34.3-125.7 -67.6 139.6 -4.4 7.9 1.0 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-2.1 1,-0.3 -14,-0.1 0.851 108.5 68.5 -58.0 -30.0 -5.7 10.7 3.2 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.9 1,-0.3 4,-0.3 0.797 88.0 65.7 -57.4 -32.2 -6.0 8.1 6.0 82 82 A A G X S+ 0 0 28 -3,-1.5 3,-0.6 1,-0.3 9,-0.3 0.725 90.5 64.7 -60.1 -19.6 -2.2 7.9 6.1 83 83 A L G < S+ 0 0 2 -3,-2.1 -28,-0.5 -4,-0.4 -1,-0.3 0.336 94.6 61.0 -84.2 1.3 -2.2 11.5 7.3 84 84 A L G < S+ 0 0 43 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.438 78.0 121.6-108.4 3.4 -3.9 10.3 10.5 85 85 A S S < S- 0 0 59 -3,-0.6 6,-0.1 -4,-0.3 -3,-0.0 -0.106 71.9-123.2 -64.9 153.3 -1.2 8.0 11.7 86 86 A S S S+ 0 0 68 2,-0.0 2,-0.5 -45,-0.0 -1,-0.1 0.845 102.2 73.1 -62.1 -34.9 0.7 8.4 15.1 87 87 A D S S- 0 0 82 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.757 76.7-154.2 -82.5 124.0 3.9 8.5 13.0 88 88 A I > + 0 0 7 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.434 63.3 107.1 -86.4 4.9 4.0 11.9 11.3 89 89 A T H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.876 80.5 46.1 -49.1 -51.1 6.2 10.8 8.3 90 90 A A H > S+ 0 0 23 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.924 114.5 47.7 -67.2 -39.2 3.5 10.9 5.7 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.7 -4,-0.3 -1,-0.2 0.913 113.5 47.8 -66.0 -38.3 2.2 14.3 6.9 92 92 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.942 111.5 50.0 -66.6 -44.9 5.7 15.8 7.0 93 93 A N H X S+ 0 0 80 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.909 115.0 44.0 -60.0 -39.6 6.5 14.5 3.5 94 94 A d H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 3,-0.3 0.914 110.0 54.6 -73.7 -40.4 3.3 15.9 2.1 95 95 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.867 102.4 58.9 -58.2 -35.1 3.7 19.2 3.9 96 96 A K H X S+ 0 0 44 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.901 108.3 45.7 -61.6 -39.7 7.2 19.6 2.3 97 97 A K H >< S+ 0 0 88 -4,-1.2 3,-0.6 -3,-0.3 4,-0.2 0.939 113.1 49.9 -65.5 -45.8 5.4 19.4 -1.1 98 98 A I H >< S+ 0 0 7 -4,-2.4 3,-1.8 1,-0.2 5,-0.3 0.921 110.1 48.6 -60.0 -47.7 2.7 21.9 -0.1 99 99 A V H 3< S+ 0 0 4 -4,-2.8 5,-0.4 1,-0.3 3,-0.3 0.671 109.6 54.0 -72.4 -13.1 5.1 24.5 1.3 100 100 A S T << S+ 0 0 33 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.374 82.7 94.7 -90.6 0.3 7.2 24.2 -1.9 101 101 A D S < S- 0 0 113 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 0.643 108.2 -87.8 -78.3 -13.5 4.1 24.9 -4.1 102 102 A G S S+ 0 0 63 -3,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 -0.076 115.5 64.6 138.1 -29.4 4.7 28.7 -4.5 103 103 A N S > S- 0 0 121 1,-0.3 3,-1.9 -5,-0.3 4,-0.1 0.251 83.4-147.4-109.3 16.1 2.9 30.5 -1.5 104 104 A G G > - 0 0 12 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.248 69.5 -15.4 56.8-143.0 5.0 29.0 1.3 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.3 0.584 115.0 91.6 -77.9 -0.9 3.1 28.5 4.6 106 106 A N G < + 0 0 48 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.691 68.1 79.9 -63.0 -19.2 0.3 30.7 3.4 107 107 A A G < S+ 0 0 56 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.785 84.3 66.1 -51.5 -32.5 -1.2 27.5 2.1 108 108 A W S <> S- 0 0 10 -3,-2.2 4,-2.3 1,-0.2 3,-0.4 -0.841 74.2-165.5 -92.1 103.5 -2.3 26.9 5.8 109 109 A V H > S+ 0 0 87 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.848 88.7 56.6 -66.8 -26.9 -4.8 29.8 6.3 110 110 A A H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.861 106.8 50.5 -68.8 -35.3 -4.6 29.2 10.2 111 111 A W H >>S+ 0 0 11 -3,-0.4 5,-3.0 -6,-0.2 4,-2.3 0.951 112.8 45.2 -59.7 -48.8 -0.8 29.8 9.9 112 112 A R H <5S+ 0 0 110 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.940 121.4 38.5 -61.9 -44.9 -1.4 33.0 7.9 113 113 A N H <5S+ 0 0 109 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.735 133.6 18.2 -79.9 -22.4 -4.1 34.2 10.3 114 114 A R H <5S+ 0 0 140 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.577 131.4 28.7-125.4 -17.6 -2.6 33.0 13.7 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.4 -3,-0.2 0.708 84.2 102.6-115.2 -46.9 1.1 32.3 13.3 116 116 A K T 3 + 0 0 101 1,-0.2 3,-1.4 -3,-0.1 4,-0.3 -0.422 57.5 166.7 -78.2 74.1 6.7 35.3 18.1 120 120 A V G > + 0 0 17 -2,-2.5 3,-1.7 1,-0.3 4,-0.3 0.741 62.1 75.5 -69.2 -17.0 6.7 31.7 16.8 121 121 A Q G > S+ 0 0 91 1,-0.3 3,-2.1 -3,-0.2 4,-0.5 0.841 80.1 74.6 -64.1 -21.3 9.9 30.8 18.8 122 122 A A G X S+ 0 0 35 -3,-1.4 3,-1.1 1,-0.3 -1,-0.3 0.833 85.3 65.0 -56.7 -29.8 7.7 30.7 21.8 123 123 A W G < S+ 0 0 57 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.748 110.2 34.1 -70.3 -19.5 6.3 27.4 20.5 124 124 A I G X S+ 0 0 33 -3,-2.1 3,-1.8 -4,-0.3 -1,-0.3 0.270 87.1 135.4-111.5 9.7 9.7 25.7 20.9 125 125 A R T < S+ 0 0 115 -3,-1.1 3,-0.1 -4,-0.5 -119,-0.1 -0.310 78.1 8.4 -63.6 135.0 10.8 27.7 24.1 126 126 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -120,-0.0 2,-0.1 0.304 94.3 137.8 82.2 -13.4 12.3 25.4 26.6 127 127 A a < - 0 0 21 -3,-1.8 2,-0.9 1,-0.1 -1,-0.2 -0.467 55.6-132.4 -77.2 139.1 12.4 22.3 24.3 128 128 A R 0 0 245 -2,-0.1 -1,-0.1 -3,-0.1 -118,-0.0 -0.824 360.0 360.0 -87.3 100.2 15.5 20.1 24.3 129 129 A L 0 0 88 -2,-0.9 -119,-0.1 -5,-0.1 -123,-0.0 -0.900 360.0 360.0-119.6 360.0 15.9 19.9 20.6