==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 08-JUN-87 2LYM . COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR C.E.KUNDROT,F.M.RICHARDS . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 28 21.7 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 85 0, 0.0 39,-3.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 142.2 2.4 10.4 9.2 2 2 A V B -A 39 0A 98 37,-0.3 37,-0.2 38,-0.1 2,-0.2 -0.928 360.0-149.1-105.5 112.0 2.4 13.8 7.3 3 3 A F - 0 0 15 35,-3.0 2,-0.3 -2,-0.6 3,-0.0 -0.526 8.0-128.4 -82.9 156.1 -1.1 15.2 7.2 4 4 A G > - 0 0 35 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.649 33.9-107.1 -91.9 158.6 -2.6 17.3 4.5 5 5 A R H > S+ 0 0 87 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.944 116.7 38.6 -55.2 -57.6 -4.3 20.6 5.7 6 6 A a H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 113.9 56.3 -67.4 -34.8 -8.0 19.6 5.1 7 7 A E H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 111.1 43.8 -60.9 -44.6 -7.3 16.0 6.3 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.891 110.9 53.6 -68.9 -43.6 -6.0 17.3 9.6 9 9 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.921 109.8 50.0 -54.9 -39.9 -8.7 19.9 10.0 10 10 A A H X S+ 0 0 42 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.897 111.4 47.0 -69.0 -40.8 -11.2 17.0 9.6 11 11 A A H X S+ 0 0 20 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.880 112.8 49.0 -67.5 -38.3 -9.5 14.8 12.1 12 12 A M H <>S+ 0 0 1 -4,-2.4 5,-2.7 2,-0.2 6,-0.3 0.885 110.0 52.2 -70.2 -37.5 -9.3 17.7 14.7 13 13 A K H ><5S+ 0 0 92 -4,-2.5 3,-1.9 -5,-0.3 -2,-0.2 0.958 109.6 49.2 -60.2 -45.6 -13.0 18.5 14.2 14 14 A R H 3<5S+ 0 0 203 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.4 55.8 -63.6 -29.7 -14.0 14.9 14.8 15 15 A H T 3<5S- 0 0 27 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.313 123.1-104.3 -90.9 11.6 -11.9 14.9 17.9 16 16 A G T < 5S+ 0 0 37 -3,-1.9 -3,-0.2 -5,-0.0 -2,-0.1 0.575 82.3 124.5 76.5 19.2 -13.8 17.9 19.3 17 17 A L > < + 0 0 0 -5,-2.7 3,-2.3 2,-0.1 2,-0.3 0.730 34.9 105.7 -81.9 -22.8 -11.2 20.7 18.8 18 18 A D T 3 S- 0 0 58 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.500 106.5 -6.7 -61.2 124.8 -13.3 23.2 16.7 19 19 A N T > S+ 0 0 98 4,-1.6 3,-2.1 -2,-0.3 2,-0.3 0.576 87.8 164.5 61.5 16.0 -14.1 26.0 19.2 20 20 A Y B X S-B 23 0B 56 -3,-2.3 3,-1.8 3,-0.7 -1,-0.2 -0.543 81.5 -8.6 -62.4 125.0 -12.7 24.1 22.2 21 21 A R T 3 S- 0 0 147 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.731 135.2 -55.5 51.4 31.3 -12.3 26.8 24.8 22 22 A G T < S+ 0 0 66 -3,-2.1 2,-0.7 1,-0.2 -1,-0.3 0.471 104.5 129.4 90.9 1.4 -13.2 29.4 22.2 23 23 A Y B < -B 20 0B 48 -3,-1.8 -4,-1.6 -6,-0.2 -3,-0.7 -0.832 52.1-137.5 -99.1 117.3 -10.5 28.5 19.7 24 24 A S >> - 0 0 35 -2,-0.7 3,-1.6 -5,-0.2 4,-0.9 -0.180 27.8-102.5 -66.5 160.2 -11.8 28.0 16.2 25 25 A L H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.829 119.0 64.3 -48.5 -46.7 -10.5 25.1 14.0 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.800 96.8 56.6 -51.8 -33.5 -8.3 27.4 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.912 108.9 46.1 -64.6 -44.2 -6.2 28.2 15.2 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.4 -2,-0.2 0.844 113.4 47.7 -66.1 -46.6 -5.5 24.5 15.7 29 29 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.901 112.6 49.7 -60.4 -45.6 -4.5 23.8 12.1 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.911 110.6 50.4 -61.3 -43.7 -2.3 26.9 12.0 31 31 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.911 111.4 47.8 -61.1 -45.7 -0.6 25.8 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 6,-1.1 0.902 108.7 54.8 -60.2 -47.6 0.1 22.4 13.9 33 33 A K H X5S+ 0 0 60 -4,-2.5 4,-1.9 4,-0.2 -2,-0.2 0.961 117.7 34.3 -53.8 -49.9 1.4 23.8 10.6 34 34 A F H <5S+ 0 0 60 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.794 119.0 50.0 -84.4 -19.5 4.0 25.9 12.3 35 35 A E H <5S- 0 0 28 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.935 138.4 -5.7 -81.1 -39.0 4.8 23.6 15.3 36 36 A S H ><5S- 0 0 10 -4,-2.6 3,-1.2 19,-0.4 -3,-0.2 0.382 84.6-114.8-136.9 -2.8 5.4 20.5 13.2 37 37 A N T 3< - 0 0 51 4,-2.7 3,-1.9 -2,-0.3 -1,-0.0 -0.640 25.8-110.1 -99.5 162.1 15.2 22.3 24.1 47 47 A T T 3 S+ 0 0 160 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.808 116.9 61.5 -61.6 -32.2 18.1 23.8 25.9 48 48 A D T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.521 121.4-107.5 -76.3 -2.8 16.7 22.8 29.3 49 49 A G S < S+ 0 0 30 -3,-1.9 -2,-0.1 1,-0.4 2,-0.1 0.437 81.7 123.5 93.3 0.4 16.9 19.2 28.1 50 50 A S - 0 0 0 19,-0.1 -4,-2.7 -5,-0.0 -1,-0.4 -0.427 51.2-139.8 -81.1 169.1 13.1 18.7 27.6 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.4 -2,-0.1 2,-0.4 -0.980 1.4-138.8-136.6 146.3 11.8 17.5 24.2 52 52 A D E -CD 44 59C 29 -8,-2.6 -8,-1.7 -2,-0.4 2,-0.4 -0.811 27.6-161.7-102.2 137.7 8.7 18.6 22.2 53 53 A Y E > -CD 43 58C 23 5,-1.8 5,-2.0 -2,-0.4 3,-0.4 -0.973 29.7 -13.0-134.1 133.8 6.8 15.8 20.5 54 54 A G T > 5S- 0 0 0 -12,-2.9 3,-1.3 -2,-0.4 30,-0.2 -0.132 99.4 -30.7 91.4-175.0 4.3 15.3 17.8 55 55 A I T 3 5S+ 0 0 3 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.717 141.2 35.0 -53.9 -31.5 2.0 17.3 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.222 104.3-125.6-114.0 10.6 1.5 19.9 18.5 57 57 A Q T < 5 - 0 0 11 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.908 34.2-167.4 44.5 62.0 5.0 19.7 19.9 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-1.8 25,-0.1 2,-0.3 -0.599 19.0-117.0 -84.4 138.8 3.9 18.9 23.5 59 59 A N E >>> -D 52 0C 26 -2,-0.3 4,-2.1 -7,-0.2 3,-0.6 -0.564 6.0-144.4 -94.3 136.1 6.7 19.3 26.0 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.3 -2,-0.3 6,-0.2 0.572 91.3 74.4 -69.3 -15.6 8.3 16.6 28.2 61 61 A R T 345S+ 0 0 53 11,-0.2 12,-1.9 -10,-0.1 -1,-0.2 0.909 121.0 1.3 -66.3 -38.6 8.9 19.0 31.2 62 62 A W T <45S+ 0 0 142 -3,-0.6 13,-3.2 10,-0.2 -2,-0.2 0.745 130.6 42.8-116.1 -30.0 5.2 19.0 32.1 63 63 A W T <5S+ 0 0 23 -4,-2.1 13,-2.0 11,-0.3 2,-0.3 0.780 105.4 16.9-109.2 -29.9 3.0 16.9 29.9 64 64 A c < - 0 0 0 -5,-0.5 2,-0.5 11,-0.1 10,-0.4 -0.947 67.7-111.6-143.6 162.9 4.4 13.4 29.0 65 65 A N B +e 79 0D 79 13,-2.5 15,-2.3 -2,-0.3 16,-0.4 -0.881 34.2 160.4-102.2 125.9 7.1 11.0 30.2 66 66 A D - 0 0 36 -2,-0.5 -1,-0.1 13,-0.2 -6,-0.0 0.241 52.3-121.9-118.1 -0.3 10.2 10.4 28.0 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.454 97.8 73.5 69.4 10.5 12.4 9.0 30.8 68 68 A R + 0 0 115 1,-0.1 -1,-0.1 -8,-0.0 -3,-0.0 0.193 66.3 87.6-134.4 18.3 15.1 11.6 30.2 69 69 A T S > S- 0 0 10 -9,-0.1 3,-1.1 -8,-0.0 -2,-0.1 -0.856 75.7-135.3-121.9 83.9 13.7 14.9 31.6 70 70 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.166 87.4 8.8 -41.8 126.7 14.7 15.0 35.3 71 71 A G T 3 S+ 0 0 76 1,-0.2 2,-0.2 2,-0.0 -10,-0.0 0.884 83.6 163.0 60.3 45.5 11.7 16.1 37.3 72 72 A S < - 0 0 31 -3,-1.1 -10,-0.2 1,-0.1 -1,-0.2 -0.566 33.3-144.3 -78.0 155.1 9.1 16.1 34.5 73 73 A R - 0 0 180 -12,-1.9 -11,-0.2 -2,-0.2 -10,-0.1 0.608 13.5-144.6-100.2 -10.1 5.5 16.1 35.9 74 74 A N > + 0 0 44 -10,-0.4 3,-1.6 -14,-0.3 -11,-0.3 0.893 29.0 171.4 43.8 58.2 3.7 13.8 33.3 75 75 A L T 3 S+ 0 0 67 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.1 0.820 73.9 46.9 -68.2 -32.7 0.4 15.8 33.4 76 76 A d T 3 S- 0 0 12 -13,-2.0 -1,-0.3 2,-0.2 -12,-0.1 0.448 103.9-130.1 -86.8 -1.2 -1.3 13.9 30.5 77 77 A N < + 0 0 134 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.898 66.8 112.2 57.0 54.5 -0.3 10.5 31.9 78 78 A I S S- 0 0 49 -15,-0.3 -13,-2.5 16,-0.0 2,-0.3 -0.980 74.1-105.6-157.3 144.5 1.2 9.2 28.7 79 79 A P B > -e 65 0D 66 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.654 35.5-123.4 -70.3 141.9 4.7 8.3 27.3 80 80 A c G > S+ 0 0 1 -15,-2.3 3,-2.1 1,-0.3 4,-0.2 0.802 109.4 71.3 -60.1 -27.7 5.8 11.1 24.9 81 81 A S G > S+ 0 0 84 -16,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.837 85.6 65.0 -56.7 -33.1 6.2 8.3 22.3 82 82 A A G X S+ 0 0 30 -3,-2.0 3,-0.8 1,-0.3 -1,-0.3 0.703 92.1 64.7 -62.2 -23.1 2.4 8.1 22.2 83 83 A L G < S+ 0 0 2 -3,-2.1 -28,-0.6 -4,-0.3 -1,-0.3 0.417 93.5 60.6 -79.6 -2.6 2.3 11.7 20.8 84 84 A L G < S+ 0 0 43 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.407 79.4 117.9-100.6 -6.0 4.1 10.6 17.6 85 85 A S S < S- 0 0 55 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.113 74.7-121.1 -61.5 160.8 1.5 8.1 16.4 86 86 A S S S+ 0 0 72 2,-0.1 2,-0.7 -45,-0.0 -1,-0.1 0.765 102.6 75.4 -74.8 -23.4 -0.5 8.5 13.2 87 87 A D S > S- 0 0 93 1,-0.1 3,-0.6 -47,-0.0 4,-0.3 -0.852 73.6-159.6 -81.9 119.3 -3.7 8.5 15.3 88 88 A I T 3> + 0 0 8 -2,-0.7 4,-2.9 1,-0.2 5,-0.3 0.393 60.9 108.2 -89.4 4.6 -3.8 12.0 16.9 89 89 A T H 3> S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 79.9 44.9 -46.3 -47.0 -6.1 11.0 19.6 90 90 A A H <> S+ 0 0 27 -3,-0.6 4,-2.2 -8,-0.3 5,-0.2 0.924 113.8 50.8 -70.9 -34.4 -3.5 11.2 22.4 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.2 -9,-0.2 -1,-0.2 0.923 112.1 45.9 -63.4 -50.5 -2.1 14.5 21.1 92 92 A V H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.913 110.8 52.8 -58.1 -48.3 -5.6 16.1 21.0 93 93 A N H X S+ 0 0 75 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.894 113.3 43.8 -57.6 -42.3 -6.5 14.8 24.5 94 94 A d H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.882 109.6 55.9 -68.8 -40.2 -3.3 16.3 26.0 95 95 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.902 101.4 58.8 -59.1 -41.3 -3.7 19.6 24.0 96 96 A K H X S+ 0 0 45 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.904 108.0 45.7 -57.2 -44.9 -7.2 19.9 25.6 97 97 A K H < S+ 0 0 102 -4,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.888 113.7 49.1 -63.8 -41.1 -5.5 19.9 29.1 98 98 A I H >< S+ 0 0 8 -4,-2.5 3,-1.8 1,-0.2 5,-0.4 0.968 110.6 48.4 -63.3 -49.7 -2.8 22.3 28.0 99 99 A V H ><>S+ 0 0 5 -4,-3.3 5,-0.6 1,-0.3 3,-0.5 0.760 111.0 53.5 -63.3 -21.1 -5.2 24.8 26.5 100 100 A S T 3<5S+ 0 0 43 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.534 83.1 93.1 -88.2 -5.9 -7.2 24.6 29.7 101 101 A D T < 5S- 0 0 104 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.1 0.329 108.4 -90.3 -74.6 -2.7 -4.3 25.3 32.0 102 102 A G T < 5S+ 0 0 66 -3,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 -0.019 115.3 68.9 118.5 -30.5 -4.8 29.1 32.2 103 103 A N T > 5S- 0 0 115 -5,-0.4 3,-1.6 1,-0.3 -3,-0.1 0.350 81.0-152.8-101.6 11.5 -2.8 30.7 29.3 104 104 A G G > < - 0 0 10 -5,-0.6 3,-1.2 1,-0.3 -1,-0.3 -0.300 67.8 -17.3 58.0-145.4 -5.0 29.3 26.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.4 2,-0.1 7,-0.3 0.491 116.3 91.1 -71.1 -8.6 -3.1 28.8 23.1 106 106 A N G < + 0 0 53 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.666 68.3 78.1 -62.7 -19.4 -0.3 31.0 24.2 107 107 A A G < S+ 0 0 61 -3,-1.2 2,-0.8 1,-0.1 -1,-0.3 0.695 84.5 71.4 -57.7 -20.0 1.3 27.8 25.6 108 108 A W S X> S- 0 0 9 -3,-2.4 4,-1.9 1,-0.2 3,-0.9 -0.898 72.5-162.3-105.2 104.5 2.3 27.2 21.9 109 109 A V H 3> S+ 0 0 71 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.742 89.7 52.2 -56.1 -40.0 5.0 29.7 20.9 110 110 A A H 3> S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.790 108.8 52.1 -71.1 -27.4 4.5 29.3 17.2 111 111 A W H <>>S+ 0 0 10 -3,-0.9 5,-3.5 -6,-0.2 4,-2.1 0.923 111.6 46.1 -65.8 -47.7 0.7 30.0 17.7 112 112 A R H <5S+ 0 0 115 -4,-1.9 -2,-0.2 -7,-0.3 -3,-0.1 0.936 122.4 36.7 -61.3 -44.6 1.4 33.2 19.6 113 113 A N H <5S+ 0 0 111 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.730 133.1 18.6 -81.6 -26.0 4.0 34.3 17.0 114 114 A R H <5S+ 0 0 140 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.553 130.6 29.6-128.6 -10.9 2.5 33.2 13.7 115 115 A b T ><5S+ 0 0 0 -4,-2.1 3,-2.6 -5,-0.3 -3,-0.2 0.727 84.5 100.4-113.3 -49.2 -1.2 32.5 14.2 116 116 A K T 3 + 0 0 117 1,-0.2 3,-1.7 -2,-0.2 4,-0.2 -0.598 52.6 174.0 -83.5 89.1 -6.9 35.3 9.6 120 120 A V G > + 0 0 15 -2,-1.7 3,-2.4 1,-0.3 4,-0.3 0.745 65.4 78.6 -71.7 -22.7 -6.8 31.7 10.8 121 121 A Q G >> S+ 0 0 136 1,-0.3 3,-1.4 -3,-0.2 4,-0.6 0.743 78.0 74.0 -59.3 -22.5 -9.9 30.9 8.9 122 122 A A G <4 S+ 0 0 52 -3,-1.7 3,-0.5 1,-0.2 -1,-0.3 0.774 84.8 66.3 -60.0 -28.0 -7.7 30.7 5.8 123 123 A W G <4 S+ 0 0 54 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.643 107.8 36.7 -70.2 -18.5 -6.3 27.3 7.1 124 124 A I T X4 S+ 0 0 37 -3,-1.4 3,-1.6 -4,-0.3 -1,-0.2 0.401 87.4 125.7-113.5 2.6 -9.7 25.6 6.7 125 125 A R T 3< S+ 0 0 200 -4,-0.6 3,-0.1 -3,-0.5 -119,-0.1 -0.286 76.2 16.8 -58.1 142.8 -10.7 27.3 3.5 126 126 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.2 3,-0.0 2,-0.2 0.224 96.0 129.6 80.4 -13.4 -11.6 24.9 0.7 127 127 A a < - 0 0 16 -3,-1.6 2,-1.5 1,-0.1 -1,-0.2 -0.493 68.5-115.7 -80.7 147.4 -12.0 22.0 3.1 128 128 A R 0 0 240 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.622 360.0 360.0 -86.0 93.0 -15.0 19.7 3.1 129 129 A L 0 0 97 -2,-1.5 -119,-0.1 -5,-0.1 -3,-0.0 -0.648 360.0 360.0-162.0 360.0 -16.2 20.5 6.6