==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-11 3T6U . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR P.SHARMA,S.SINGH,ASHISH . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6609.0 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 83 0, 0.0 39,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 131.4 9.8 1.3 9.6 2 2 A V B -A 39 0A 102 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.941 360.0-144.0 -97.8 112.0 13.1 1.5 11.4 3 3 A F - 0 0 14 35,-3.1 2,-0.2 -2,-0.7 3,-0.0 -0.531 8.1-121.7 -77.2 145.7 14.4 -2.0 11.3 4 4 A G > - 0 0 35 -2,-0.2 4,-3.4 1,-0.1 5,-0.3 -0.577 31.5-110.5 -77.7 149.3 16.4 -3.6 14.2 5 5 A R H > S+ 0 0 88 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.946 117.9 34.3 -45.9 -65.1 19.8 -4.8 13.1 6 6 A a H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.844 115.6 58.6 -63.4 -33.9 19.1 -8.5 13.5 7 7 A E H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 109.9 42.4 -61.0 -46.8 15.5 -8.0 12.3 8 8 A L H X S+ 0 0 0 -4,-3.4 4,-3.2 2,-0.2 5,-0.2 0.901 111.5 56.1 -64.9 -39.2 16.7 -6.5 9.0 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.948 109.9 45.5 -57.8 -48.1 19.3 -9.2 8.7 10 10 A A H X S+ 0 0 44 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.854 112.8 49.9 -60.5 -41.2 16.7 -11.9 9.0 11 11 A A H X S+ 0 0 9 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.922 111.5 48.9 -67.6 -43.5 14.4 -10.1 6.5 12 12 A M H <>S+ 0 0 1 -4,-3.2 5,-2.3 1,-0.2 6,-0.3 0.889 111.2 50.0 -60.6 -40.9 17.2 -9.7 4.0 13 13 A K H ><5S+ 0 0 77 -4,-2.3 3,-2.3 -5,-0.2 -2,-0.2 0.935 107.4 52.7 -63.3 -48.2 18.2 -13.4 4.4 14 14 A R H 3<5S+ 0 0 182 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.1 52.8 -57.1 -35.3 14.6 -14.7 3.8 15 15 A H T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.337 122.6-108.8 -85.2 3.9 14.5 -12.6 0.7 16 16 A G T < 5S+ 0 0 34 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.738 79.2 127.4 83.4 27.0 17.7 -14.3 -0.5 17 17 A L > < + 0 0 0 -5,-2.3 3,-3.3 2,-0.1 -4,-0.2 0.797 36.5 112.0 -81.5 -30.5 20.3 -11.5 -0.2 18 18 A D T 3 S- 0 0 60 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.242 104.0 -12.4 -50.9 111.7 22.8 -13.6 1.9 19 19 A N T > S+ 0 0 91 4,-1.7 3,-2.1 1,-0.2 -1,-0.3 0.674 89.7 167.1 61.9 22.4 25.7 -14.1 -0.5 20 20 A Y B X S-B 23 0B 71 -3,-3.3 3,-1.7 3,-0.7 -1,-0.2 -0.512 78.5 -3.0 -64.9 128.2 23.7 -12.9 -3.5 21 21 A R T 3 S- 0 0 165 -2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.783 138.3 -56.5 49.6 31.1 26.3 -12.3 -6.3 22 22 A G T < S+ 0 0 57 -3,-2.1 2,-0.8 1,-0.2 -1,-0.2 0.497 105.1 129.9 88.1 5.4 29.0 -13.3 -3.7 23 23 A Y B < -B 20 0B 45 -3,-1.7 -4,-1.7 -6,-0.2 -3,-0.7 -0.809 52.5-137.7-100.5 104.4 28.1 -10.7 -1.1 24 24 A S >> - 0 0 40 -2,-0.8 3,-1.5 -5,-0.3 4,-1.0 -0.072 28.9-101.1 -54.0 156.3 27.6 -12.2 2.4 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 3,-0.2 0.801 117.2 63.8 -51.5 -38.1 24.7 -10.9 4.6 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.801 98.3 56.2 -61.4 -31.8 26.8 -8.6 6.7 27 27 A N H <> S+ 0 0 21 -3,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.900 108.6 46.2 -62.5 -46.7 27.7 -6.5 3.6 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.2 -2,-0.2 0.926 115.4 46.6 -64.0 -44.3 24.0 -5.9 2.9 29 29 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.944 113.3 48.4 -62.7 -48.2 23.3 -5.1 6.6 30 30 A b H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.918 111.5 50.6 -58.1 -45.3 26.3 -2.8 6.8 31 31 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.941 109.4 50.3 -58.0 -48.4 25.2 -1.0 3.6 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 6,-1.2 0.896 107.6 56.1 -56.7 -39.0 21.7 -0.5 4.9 33 33 A K H X5S+ 0 0 66 -4,-2.2 4,-1.2 4,-0.2 -1,-0.2 0.927 114.7 35.4 -61.4 -45.4 23.1 0.9 8.1 34 34 A F H <5S+ 0 0 58 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.677 119.3 49.7 -88.8 -16.6 25.1 3.7 6.3 35 35 A E H <5S- 0 0 32 -4,-2.1 -2,-0.2 20,-0.2 -3,-0.2 0.931 138.9 -7.8 -81.5 -47.4 22.7 4.3 3.6 36 36 A S H ><5S- 0 0 9 -4,-2.4 3,-1.4 19,-0.5 -3,-0.2 0.338 83.5-116.3-134.2 -1.1 19.5 4.7 5.7 37 37 A N T 3< - 0 0 44 4,-3.5 3,-2.0 -2,-0.3 -1,-0.0 -0.618 24.1-110.5 -92.9 161.8 21.3 14.0 -5.1 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.839 116.5 60.2 -58.1 -33.6 23.1 17.0 -6.6 48 48 A D T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.409 122.6-103.3 -79.2 4.5 22.0 16.0 -10.1 49 49 A G S < S+ 0 0 24 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.266 86.4 118.6 91.3 -12.7 18.3 16.4 -9.1 50 50 A S - 0 0 0 -5,-0.1 -4,-3.5 19,-0.1 -1,-0.3 -0.297 54.8-134.2 -78.2 171.8 17.7 12.6 -8.7 51 51 A T E -C 45 0C 4 -6,-0.3 9,-2.8 -3,-0.1 2,-0.4 -0.973 1.6-136.7-133.7 146.8 16.6 11.1 -5.4 52 52 A D E -CD 44 59C 21 -8,-3.0 -8,-1.5 -2,-0.3 2,-0.4 -0.877 26.3-162.5-102.9 132.9 17.6 8.0 -3.3 53 53 A Y E > -CD 43 58C 23 5,-2.0 5,-2.0 -2,-0.4 3,-0.4 -0.929 31.0 -18.1-128.1 131.8 14.9 6.0 -1.7 54 54 A G T > 5S- 0 0 0 -12,-2.4 3,-1.2 -2,-0.4 30,-0.2 -0.267 98.6 -23.4 92.3-166.4 14.6 3.5 1.1 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.5 1,-0.3 -17,-0.3 0.750 141.9 30.0 -62.7 -26.6 16.6 1.1 3.1 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.170 106.5-120.1-121.7 14.9 19.3 0.9 0.4 57 57 A Q T < 5 - 0 0 11 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.900 36.0-163.1 52.4 52.1 18.9 4.4 -1.1 58 58 A I E < -D 53 0C 3 -5,-2.0 -5,-2.0 -6,-0.1 2,-0.4 -0.518 17.8-117.5 -76.8 133.0 18.0 3.3 -4.6 59 59 A N E >> -D 52 0C 38 -2,-0.3 4,-2.6 -7,-0.2 3,-1.4 -0.572 10.5-152.0 -89.8 128.5 18.4 6.0 -7.1 60 60 A S T 34 S+ 0 0 0 -9,-2.8 6,-0.2 -2,-0.4 -1,-0.1 0.570 91.0 75.3 -70.0 -13.1 15.6 7.5 -9.3 61 61 A R T 34 S+ 0 0 73 -10,-0.2 12,-2.8 11,-0.2 -1,-0.3 0.842 121.5 1.3 -64.0 -32.7 18.1 8.3 -12.0 62 62 A W T <4 S+ 0 0 111 -3,-1.4 13,-3.0 10,-0.2 -2,-0.2 0.713 132.4 37.3-124.0 -35.6 18.2 4.7 -13.0 63 63 A W S < S+ 0 0 22 -4,-2.6 13,-1.7 11,-0.3 15,-0.4 0.703 106.2 24.5-110.2 -24.1 16.1 2.3 -11.0 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 -1,-0.2 -0.971 67.8-114.8-144.9 156.5 12.6 3.7 -10.0 65 65 A N B +e 79 0D 80 13,-3.0 15,-2.4 -2,-0.3 16,-0.4 -0.842 34.4 158.1 -97.8 123.9 10.1 6.3 -11.2 66 66 A D - 0 0 37 -2,-0.6 -1,-0.1 13,-0.2 -6,-0.0 0.327 52.6-123.8-118.2 -0.4 9.4 9.3 -9.0 67 67 A G S S+ 0 0 64 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.405 95.9 74.9 80.6 -3.7 8.1 11.5 -11.8 68 68 A R + 0 0 121 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.041 66.4 92.8-130.5 28.6 10.5 14.4 -11.1 69 69 A T > - 0 0 15 -9,-0.1 3,-1.0 3,-0.0 -2,-0.1 -0.734 69.5-141.6-125.1 84.0 13.8 13.0 -12.5 70 70 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.047 78.3 4.1 -43.6 141.6 14.2 14.1 -16.2 71 71 A G T 3 S+ 0 0 71 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.773 98.9 142.3 52.5 33.3 15.7 11.8 -18.7 72 72 A S < - 0 0 30 -3,-1.0 2,-0.2 1,-0.0 -10,-0.2 -0.537 45.3-126.9-100.9 167.2 15.9 9.0 -16.1 73 73 A R - 0 0 128 -12,-2.8 -9,-0.4 -2,-0.2 3,-0.1 -0.657 4.0-154.0-106.4 169.2 15.4 5.3 -16.3 74 74 A N > + 0 0 38 -2,-0.2 3,-2.2 -11,-0.2 -11,-0.3 -0.487 28.8 161.4-135.8 59.0 13.1 3.1 -14.3 75 75 A L T 3 S+ 0 0 68 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.1 0.729 74.8 49.8 -62.7 -24.9 15.0 -0.2 -14.7 76 76 A d T 3 S- 0 0 18 -13,-1.7 -1,-0.3 2,-0.2 -12,-0.1 0.432 105.4-132.0 -90.2 -1.9 13.4 -1.9 -11.7 77 77 A N < + 0 0 137 -3,-2.2 -13,-0.1 1,-0.2 -2,-0.1 0.912 63.3 112.4 53.9 53.2 10.0 -0.9 -13.1 78 78 A I S S- 0 0 34 -15,-0.4 -13,-3.0 16,-0.0 2,-0.2 -0.992 73.3-103.7-146.5 153.0 8.5 0.6 -9.8 79 79 A P B > -e 65 0D 66 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.569 37.3-123.5 -69.0 146.4 7.5 3.9 -8.4 80 80 A c G > S+ 0 0 1 -15,-2.4 3,-1.8 1,-0.3 -14,-0.1 0.753 107.8 71.0 -66.4 -24.8 10.2 5.0 -6.0 81 81 A S G > S+ 0 0 83 -16,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.802 85.7 66.3 -62.8 -27.9 7.6 5.3 -3.2 82 82 A A G X S+ 0 0 33 -3,-1.4 3,-0.8 1,-0.3 -1,-0.3 0.720 91.0 65.4 -61.9 -19.7 7.4 1.4 -3.2 83 83 A L G < S+ 0 0 2 -3,-1.8 -28,-0.6 -4,-0.3 -1,-0.3 0.470 95.1 59.3 -82.5 0.1 11.0 1.5 -2.0 84 84 A L G < S+ 0 0 41 -3,-1.8 -1,-0.2 -30,-0.2 -2,-0.2 0.427 77.9 116.1-109.4 -2.0 9.8 3.2 1.3 85 85 A S S < S- 0 0 54 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.180 76.3-119.1 -68.1 158.5 7.4 0.5 2.5 86 86 A S S S+ 0 0 74 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.599 103.7 80.8 -71.9 -8.8 7.9 -1.4 5.8 87 87 A D > - 0 0 87 -5,-0.1 3,-0.6 1,-0.1 4,-0.3 -0.880 69.6-164.1-100.9 109.3 7.9 -4.4 3.4 88 88 A I T 3> + 0 0 5 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.365 59.5 106.6 -82.6 7.2 11.5 -4.5 2.0 89 89 A T H 3> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 80.2 46.1 -50.2 -55.5 10.5 -6.9 -0.9 90 90 A A H <> S+ 0 0 26 -3,-0.6 4,-2.1 -8,-0.3 5,-0.2 0.885 112.7 50.6 -58.4 -39.5 10.7 -4.2 -3.6 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.4 -9,-0.2 -1,-0.2 0.919 111.7 47.8 -68.7 -39.6 14.0 -2.8 -2.3 92 92 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.948 112.8 46.7 -65.5 -48.4 15.6 -6.3 -2.2 93 93 A N H X S+ 0 0 81 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.890 115.6 45.4 -64.1 -41.4 14.5 -7.3 -5.7 94 94 A d H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.2 3,-0.4 0.893 110.5 54.5 -64.8 -41.4 15.6 -4.0 -7.2 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 5,-0.2 0.849 102.5 58.5 -61.1 -34.3 18.9 -4.2 -5.3 96 96 A K H X S+ 0 0 43 -4,-2.0 4,-0.6 1,-0.2 -1,-0.3 0.859 107.7 45.5 -64.9 -35.3 19.4 -7.6 -6.9 97 97 A K H < S+ 0 0 93 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.877 113.6 50.8 -72.7 -35.7 19.2 -6.0 -10.3 98 98 A I H >< S+ 0 0 7 -4,-2.1 3,-1.5 1,-0.2 5,-0.3 0.933 110.1 46.3 -65.9 -47.9 21.5 -3.2 -9.2 99 99 A V H 3< S+ 0 0 3 -4,-2.8 5,-0.5 1,-0.3 3,-0.5 0.657 108.4 58.3 -73.6 -15.1 24.3 -5.4 -7.8 100 100 A S T 3< S+ 0 0 34 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.416 79.0 97.5 -89.1 -0.4 24.1 -7.6 -10.9 101 101 A D S < S- 0 0 111 -3,-1.5 -1,-0.2 3,-0.2 -2,-0.1 0.399 105.9 -96.0 -76.3 -1.1 24.9 -4.6 -13.0 102 102 A G S S+ 0 0 70 -3,-0.5 -1,-0.1 -4,-0.0 -3,-0.1 0.021 114.0 70.7 113.3 -29.1 28.6 -5.3 -13.3 103 103 A N S > S- 0 0 117 -5,-0.3 3,-1.5 1,-0.3 -3,-0.1 0.362 84.1-150.5-100.4 3.0 30.2 -3.2 -10.6 104 104 A G G > - 0 0 11 -5,-0.5 3,-1.1 1,-0.2 -1,-0.3 -0.306 65.6 -19.0 62.4-142.1 28.8 -5.3 -7.7 105 105 A M G > S+ 0 0 0 1,-0.2 3,-2.3 2,-0.1 7,-0.4 0.540 114.6 92.5 -77.5 -2.9 28.1 -3.4 -4.5 106 106 A N G < + 0 0 43 -3,-1.5 -1,-0.2 1,-0.3 6,-0.2 0.762 68.6 79.7 -58.5 -21.9 30.4 -0.5 -5.5 107 107 A A G < S+ 0 0 56 -3,-1.1 2,-0.9 1,-0.1 -1,-0.3 0.787 81.6 72.3 -52.9 -30.0 27.1 0.9 -6.8 108 108 A W S <> S- 0 0 10 -3,-2.3 4,-2.4 1,-0.2 3,-0.4 -0.808 73.2-161.4 -93.8 105.7 26.5 1.9 -3.2 109 109 A V H > S+ 0 0 84 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.874 90.3 50.8 -52.1 -42.8 28.8 4.7 -2.4 110 110 A A H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.840 108.8 52.4 -70.3 -32.5 28.5 4.2 1.3 111 111 A W H >>S+ 0 0 10 -3,-0.4 5,-3.0 -6,-0.2 4,-2.8 0.976 111.5 44.5 -62.4 -56.1 29.2 0.5 1.0 112 112 A R H <5S+ 0 0 107 -4,-2.4 -2,-0.2 -7,-0.4 -1,-0.2 0.938 122.2 39.3 -53.5 -46.5 32.4 1.1 -1.0 113 113 A N H <5S+ 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.696 132.8 18.9 -80.1 -22.2 33.5 3.9 1.4 114 114 A R H <5S+ 0 0 149 -4,-1.8 -3,-0.2 -3,-0.3 -2,-0.2 0.598 132.5 25.9-127.6 -17.8 32.4 2.5 4.7 115 115 A b T ><5S+ 0 0 0 -4,-2.8 3,-2.3 -5,-0.4 -3,-0.2 0.714 83.3 108.8-116.8 -41.2 31.9 -1.3 4.5 116 116 A K T 3 + 0 0 104 1,-0.2 3,-1.1 -2,-0.2 4,-0.1 -0.594 56.6 165.4 -80.4 79.9 34.7 -7.1 9.2 120 120 A V G > + 0 0 13 -2,-2.0 3,-1.5 1,-0.2 4,-0.2 0.603 64.2 78.8 -69.5 -15.1 31.1 -6.8 7.8 121 121 A Q G > S+ 0 0 94 1,-0.3 3,-2.1 -3,-0.2 -1,-0.2 0.831 79.5 68.6 -61.3 -34.0 30.4 -10.1 9.6 122 122 A A G X S+ 0 0 37 -3,-1.1 3,-1.0 1,-0.3 -1,-0.3 0.683 84.7 72.2 -58.9 -18.9 30.2 -8.0 12.8 123 123 A W G < S+ 0 0 55 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.679 103.5 38.3 -74.1 -17.9 27.0 -6.6 11.4 124 124 A I G X S+ 0 0 30 -3,-2.1 3,-1.5 -4,-0.2 -1,-0.2 0.116 85.2 141.6-116.9 20.8 25.2 -9.9 12.0 125 125 A R T < S+ 0 0 144 -3,-1.0 3,-0.1 1,-0.2 -119,-0.1 -0.404 74.2 6.2 -61.6 129.1 26.9 -10.7 15.3 126 126 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.535 95.3 138.3 77.5 5.3 24.5 -12.3 17.9 127 127 A a < - 0 0 23 -3,-1.5 2,-1.3 1,-0.1 -1,-0.2 -0.669 57.4-129.5 -87.4 139.0 21.6 -12.6 15.4 128 128 A R 0 0 248 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.705 360.0 360.0 -83.5 92.8 19.4 -15.8 15.2 129 129 A L 0 0 98 -2,-1.3 -1,-0.2 -5,-0.1 -5,-0.0 0.724 360.0 360.0-113.9 360.0 19.7 -16.4 11.5