==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-05 2C8P . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 SYNTHETIC: YES; . AUTHOR X.VERNEDE,B.LAVAULT,J.OHANA,D.NURIZZO,J.JOLY,L.JACQUAMET, . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6533.0 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 . 33 25.6 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 87 0, 0.0 39,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 133.5 2.2 10.4 8.8 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.918 360.0-149.9 -99.0 112.8 2.2 13.7 6.9 3 3 A F - 0 0 12 35,-2.8 2,-0.2 -2,-0.7 3,-0.0 -0.499 11.2-121.1 -78.0 148.6 -1.4 15.0 6.8 4 4 A G > - 0 0 37 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.506 34.2-106.6 -72.8 159.5 -2.8 17.1 4.1 5 5 A R H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.945 118.9 35.7 -53.8 -57.3 -4.2 20.5 5.2 6 6 A a H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.841 113.6 59.2 -70.6 -32.3 -7.9 19.6 4.8 7 7 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 109.8 43.4 -60.4 -45.0 -7.3 16.0 5.9 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.893 110.3 55.1 -68.0 -40.6 -6.0 17.3 9.2 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.933 111.2 46.1 -56.1 -46.5 -8.7 19.9 9.6 10 10 A A H X S+ 0 0 41 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.907 112.8 48.6 -62.9 -44.7 -11.3 17.1 9.3 11 11 A A H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.903 111.7 49.7 -62.4 -42.4 -9.5 14.8 11.7 12 12 A M H <>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 6,-0.3 0.889 111.9 48.2 -63.8 -39.4 -9.2 17.6 14.2 13 13 A K H ><5S+ 0 0 91 -4,-2.2 3,-1.7 -5,-0.2 -2,-0.2 0.928 109.0 53.6 -65.5 -45.2 -12.9 18.4 13.9 14 14 A R H 3<5S+ 0 0 178 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.866 109.2 49.8 -52.2 -41.7 -13.7 14.7 14.3 15 15 A H T 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.289 123.2-104.9 -88.4 8.0 -11.7 14.6 17.5 16 16 A G T < 5S+ 0 0 35 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.681 81.1 125.8 84.2 22.6 -13.5 17.7 18.9 17 17 A L > < + 0 0 0 -5,-2.6 3,-2.3 2,-0.1 2,-0.4 0.693 37.0 110.7 -82.9 -19.7 -11.0 20.5 18.5 18 18 A D T 3 S- 0 0 63 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.429 103.7 -10.0 -63.9 116.7 -13.2 22.9 16.5 19 19 A N T > S+ 0 0 100 4,-1.4 3,-2.3 -2,-0.4 -1,-0.3 0.608 90.4 164.6 64.7 17.4 -14.0 25.7 18.9 20 20 A Y B X S-B 23 0B 74 -3,-2.3 3,-2.0 3,-0.7 -1,-0.2 -0.481 79.4 -3.6 -63.1 126.6 -12.4 23.9 21.8 21 21 A R T 3 S- 0 0 141 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.780 135.8 -60.8 53.9 27.8 -11.9 26.5 24.5 22 22 A G T < S+ 0 0 54 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.523 103.6 134.1 81.9 7.2 -13.1 29.0 21.9 23 23 A Y B < -B 20 0B 46 -3,-2.0 -4,-1.4 -6,-0.1 -3,-0.7 -0.814 51.4-134.8 -96.2 113.1 -10.4 28.3 19.4 24 24 A S >> - 0 0 46 -2,-0.7 3,-1.6 -5,-0.2 4,-1.0 -0.182 27.2-103.1 -60.9 154.9 -11.7 27.8 15.9 25 25 A L H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.820 118.5 63.3 -48.2 -40.7 -10.4 25.0 13.7 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.835 98.2 56.5 -56.1 -35.2 -8.2 27.3 11.7 27 27 A N H <> S+ 0 0 20 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.912 108.7 45.8 -62.0 -44.3 -6.2 28.1 14.8 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.871 114.2 47.5 -67.6 -40.2 -5.4 24.4 15.4 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 112.4 49.4 -68.0 -44.5 -4.5 23.8 11.8 30 30 A b H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.2 5,-0.2 0.921 111.0 50.4 -58.5 -44.7 -2.3 26.9 11.7 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.936 111.6 47.8 -61.2 -45.5 -0.5 25.8 14.9 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 6,-1.2 0.884 107.5 57.3 -64.5 -37.8 0.1 22.3 13.5 33 33 A K H X5S+ 0 0 65 -4,-2.5 4,-1.7 4,-0.2 -1,-0.2 0.951 115.5 34.3 -55.7 -50.2 1.4 23.8 10.2 34 34 A F H <5S+ 0 0 61 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.766 119.5 50.2 -84.9 -24.3 4.1 25.8 11.9 35 35 A E H <5S- 0 0 43 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.930 138.3 -6.7 -71.7 -45.1 4.8 23.3 14.7 36 36 A S H ><5S- 0 0 12 -4,-2.5 3,-1.4 19,-0.5 -3,-0.2 0.388 82.6-116.0-134.9 -3.2 5.3 20.2 12.6 37 37 A N T 3< - 0 0 41 4,-3.2 3,-2.0 -2,-0.4 -1,-0.0 -0.555 23.3-112.3 -90.3 157.5 14.9 21.8 23.5 47 47 A T T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.817 116.5 57.5 -55.1 -35.0 17.9 23.6 25.1 48 48 A D T 3 S- 0 0 85 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.432 123.1-102.2 -78.6 -2.8 16.8 22.4 28.5 49 49 A G S < S+ 0 0 20 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.279 84.4 122.3 98.1 -11.7 16.9 18.7 27.5 50 50 A S - 0 0 2 19,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.314 51.6-140.0 -73.9 166.6 13.1 18.3 27.0 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.3 -3,-0.1 2,-0.4 -0.980 1.6-137.6-134.0 142.1 11.7 17.2 23.6 52 52 A D E -CD 44 59C 23 -8,-2.9 -8,-1.7 -2,-0.4 2,-0.4 -0.848 26.2-161.7 -99.1 139.1 8.7 18.3 21.6 53 53 A Y E > -CD 43 58C 25 5,-2.1 5,-2.1 -2,-0.4 3,-0.4 -0.966 31.4 -14.4-131.0 136.2 6.6 15.6 19.9 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.6 -2,-0.4 30,-0.2 -0.146 98.8 -28.9 85.8-168.9 4.1 15.2 17.1 55 55 A I T 3 5S+ 0 0 0 28,-0.5 -19,-0.5 1,-0.3 -17,-0.3 0.751 141.2 34.3 -62.0 -28.4 1.8 17.4 15.1 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.186 106.3-123.5-113.3 13.5 1.5 20.0 17.9 57 57 A Q T < 5 - 0 0 18 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.889 35.0-165.1 49.2 54.1 5.0 19.6 19.3 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.1 -6,-0.1 2,-0.3 -0.533 15.9-121.8 -78.0 133.8 3.9 18.8 22.8 59 59 A N E >> -D 52 0C 30 -2,-0.3 4,-2.1 -7,-0.2 3,-0.9 -0.569 7.1-145.2 -91.8 138.3 6.7 19.0 25.3 60 60 A S T 34 S+ 0 0 0 -9,-2.3 6,-0.2 -2,-0.3 13,-0.2 0.565 89.8 80.7 -73.0 -10.0 8.1 16.3 27.7 61 61 A R T 34 S- 0 0 57 11,-0.2 12,-2.1 -10,-0.2 -1,-0.2 0.881 120.1 -3.8 -63.2 -36.6 8.8 18.9 30.4 62 62 A W T <4 S+ 0 0 132 -3,-0.9 13,-2.8 10,-0.2 -2,-0.2 0.700 131.6 44.8-121.7 -33.2 5.1 18.8 31.5 63 63 A W S < S+ 0 0 26 -4,-2.1 13,-1.9 11,-0.3 15,-0.3 0.712 103.1 21.5-108.8 -25.8 2.9 16.7 29.3 64 64 A c - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 11,-0.1 -0.954 67.7-111.7-143.1 159.7 4.3 13.3 28.4 65 65 A N B +e 79 0D 79 13,-2.7 15,-2.5 -2,-0.3 16,-0.4 -0.859 36.8 154.8 -97.4 124.8 6.9 10.7 29.5 66 66 A D - 0 0 36 -2,-0.6 -1,-0.1 13,-0.2 8,-0.0 0.350 52.5-125.1-121.4 1.7 10.0 10.1 27.5 67 67 A G S S+ 0 0 68 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.460 95.4 75.4 72.6 2.9 12.2 8.8 30.3 68 68 A R + 0 0 95 1,-0.1 -1,-0.1 2,-0.0 -8,-0.0 0.031 64.7 89.7-137.2 27.8 14.9 11.4 29.6 69 69 A T S > S- 0 0 6 -9,-0.1 3,-1.9 -19,-0.0 -2,-0.1 -0.799 71.9-140.4-126.5 85.8 13.7 14.7 30.9 70 70 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.197 80.8 8.2 -52.9 132.4 14.9 15.1 34.5 71 71 A G T 3 S+ 0 0 82 1,-0.2 -10,-0.0 0, 0.0 0, 0.0 0.447 99.5 137.6 82.1 2.5 12.4 16.6 36.9 72 72 A S < - 0 0 31 -3,-1.9 -1,-0.2 1,-0.1 2,-0.2 -0.145 44.3-134.5 -79.6 171.4 9.6 16.6 34.4 73 73 A R - 0 0 146 -12,-2.1 -9,-0.4 -13,-0.2 -1,-0.1 -0.670 6.3-144.9-114.7 174.6 6.0 15.6 34.6 74 74 A N > + 0 0 48 -2,-0.2 3,-1.7 -11,-0.2 -11,-0.3 -0.537 30.9 161.3-137.7 65.9 3.6 13.5 32.5 75 75 A L T 3 S+ 0 0 56 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.738 75.6 51.7 -70.3 -22.3 0.3 15.4 32.9 76 76 A d T 3 S- 0 0 18 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.489 104.9-132.5 -87.3 -4.4 -1.3 13.8 29.9 77 77 A N < + 0 0 131 -3,-1.7 -13,-0.1 1,-0.2 -2,-0.1 0.902 64.6 112.7 55.5 50.6 -0.4 10.4 31.3 78 78 A I S S- 0 0 31 -15,-0.3 -13,-2.7 12,-0.0 2,-0.2 -0.980 74.6-102.6-144.3 153.1 1.1 9.0 28.0 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.609 36.5-124.2 -71.1 141.9 4.4 8.0 26.6 80 80 A c G > S+ 0 0 2 -15,-2.5 3,-1.7 1,-0.3 -14,-0.1 0.804 108.8 70.7 -58.7 -28.7 5.7 10.8 24.3 81 81 A S G > S+ 0 0 80 -16,-0.4 3,-2.1 1,-0.3 4,-0.3 0.794 84.4 68.1 -57.2 -29.9 5.9 8.2 21.5 82 82 A A G X S+ 0 0 30 -3,-1.8 3,-1.0 1,-0.3 9,-0.3 0.769 90.4 64.3 -60.4 -25.8 2.1 8.1 21.4 83 83 A L G < S+ 0 0 1 -3,-1.7 -28,-0.5 -4,-0.4 -1,-0.3 0.505 95.1 58.9 -75.8 -4.2 2.3 11.7 20.1 84 84 A L G < S+ 0 0 43 -3,-2.1 -1,-0.2 -30,-0.2 -2,-0.2 0.474 80.9 120.4-102.1 -4.8 4.0 10.4 17.0 85 85 A S S < S- 0 0 52 -3,-1.0 6,-0.1 -4,-0.3 -3,-0.0 -0.138 72.9-126.8 -58.9 149.6 1.2 8.0 15.9 86 86 A S S S+ 0 0 76 2,-0.0 2,-0.6 -45,-0.0 -1,-0.1 0.770 101.6 78.4 -62.0 -24.2 -0.6 8.3 12.6 87 87 A D S S- 0 0 83 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.792 73.3-159.4 -87.9 116.4 -3.7 8.3 14.9 88 88 A I > + 0 0 4 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.429 62.0 105.7 -82.8 4.1 -4.0 11.9 16.3 89 89 A T H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.904 81.5 45.3 -50.2 -52.2 -6.1 10.9 19.4 90 90 A A H > S+ 0 0 22 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.917 114.3 48.4 -63.4 -43.5 -3.3 11.2 21.9 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.908 114.6 46.1 -60.3 -43.6 -2.1 14.5 20.5 92 92 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.938 112.8 48.6 -65.4 -47.6 -5.6 16.0 20.5 93 93 A N H X S+ 0 0 87 -4,-3.0 4,-1.2 -5,-0.3 -2,-0.2 0.887 114.8 45.4 -62.0 -39.5 -6.5 14.8 24.0 94 94 A d H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.907 109.4 55.4 -70.6 -41.4 -3.3 16.2 25.4 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.865 102.8 57.2 -56.3 -38.3 -3.7 19.5 23.5 96 96 A K H X S+ 0 0 43 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.907 108.7 46.1 -59.7 -41.4 -7.2 19.8 25.1 97 97 A K H < S+ 0 0 102 -4,-1.2 3,-0.4 2,-0.2 4,-0.2 0.933 113.4 49.0 -66.3 -44.2 -5.5 19.6 28.5 98 98 A I H >< S+ 0 0 7 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.932 109.7 49.7 -61.6 -48.4 -2.7 22.1 27.5 99 99 A V H 3< S+ 0 0 0 -4,-2.9 5,-0.4 1,-0.3 3,-0.4 0.686 108.9 54.6 -69.5 -16.1 -5.1 24.7 26.1 100 100 A S T 3< S+ 0 0 43 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.427 82.2 94.8 -88.2 -1.1 -7.2 24.5 29.3 101 101 A D S < S- 0 0 106 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.617 107.2 -92.0 -72.8 -16.7 -4.1 25.2 31.4 102 102 A G S S+ 0 0 53 -3,-0.4 -3,-0.1 -4,-0.2 -1,-0.1 -0.017 114.6 66.5 133.4 -34.1 -4.7 29.0 31.7 103 103 A N S > S- 0 0 115 1,-0.3 3,-1.8 -5,-0.3 4,-0.1 0.293 83.3-150.5-104.2 10.1 -2.9 30.7 28.8 104 104 A G G > - 0 0 6 -5,-0.4 3,-1.4 1,-0.3 -1,-0.3 -0.255 68.1 -15.3 55.2-138.8 -4.9 29.1 26.0 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 7,-0.3 0.555 116.0 89.6 -79.0 -4.9 -3.1 28.6 22.8 106 106 A N G < + 0 0 50 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.693 68.9 80.6 -60.6 -16.6 -0.3 30.9 23.9 107 107 A A G < S+ 0 0 54 -3,-1.4 2,-0.9 1,-0.2 -1,-0.3 0.816 83.7 67.0 -56.4 -31.0 1.2 27.7 25.2 108 108 A W S X> S- 0 0 11 -3,-2.0 4,-2.1 1,-0.2 3,-0.5 -0.824 74.6-164.0 -92.6 102.9 2.3 27.2 21.6 109 109 A V H 3> S+ 0 0 79 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.888 89.5 55.2 -54.9 -40.0 4.8 29.9 21.0 110 110 A A H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.838 105.7 52.6 -64.3 -35.1 4.6 29.3 17.2 111 111 A W H <>>S+ 0 0 12 -3,-0.5 5,-3.2 -6,-0.2 4,-2.2 0.951 111.5 46.0 -62.3 -48.0 0.8 29.9 17.5 112 112 A R H <5S+ 0 0 107 -4,-2.1 -2,-0.2 -7,-0.3 -1,-0.2 0.925 120.6 39.1 -59.5 -43.6 1.4 33.2 19.3 113 113 A N H <5S+ 0 0 103 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.744 132.5 18.5 -81.0 -24.6 4.0 34.3 16.9 114 114 A R H <5S+ 0 0 139 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.578 131.7 27.2-125.4 -16.3 2.6 33.1 13.6 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.4 5,-0.2 0.733 84.6 104.2-118.4 -44.5 -1.1 32.4 13.9 116 116 A K T 3 + 0 0 100 1,-0.2 3,-1.7 -2,-0.2 4,-0.2 -0.482 56.6 167.6 -77.1 73.1 -6.8 35.2 9.2 120 120 A V G > + 0 0 16 -2,-2.3 3,-1.8 1,-0.3 4,-0.3 0.698 62.2 76.6 -66.4 -18.8 -6.7 31.7 10.5 121 121 A Q G >> S+ 0 0 88 1,-0.3 3,-1.8 2,-0.2 4,-0.7 0.791 79.7 74.1 -62.5 -23.9 -9.9 30.7 8.6 122 122 A A G X4 S+ 0 0 38 -3,-1.7 3,-0.6 1,-0.3 -1,-0.3 0.815 84.9 66.3 -56.6 -28.5 -7.7 30.6 5.5 123 123 A W G <4 S+ 0 0 58 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.718 110.3 32.7 -70.1 -20.3 -6.3 27.3 6.9 124 124 A I G X4 S+ 0 0 29 -3,-1.8 3,-1.8 -4,-0.3 -1,-0.2 0.361 87.7 132.0-114.4 3.8 -9.7 25.5 6.5 125 125 A R T << S+ 0 0 119 -4,-0.7 3,-0.1 -3,-0.6 -119,-0.1 -0.323 77.5 10.8 -61.9 130.2 -10.8 27.4 3.4 126 126 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.196 95.8 133.9 89.0 -16.0 -12.2 25.0 0.7 127 127 A a < - 0 0 19 -3,-1.8 2,-0.8 1,-0.1 -1,-0.3 -0.451 61.1-123.6 -76.3 139.2 -12.2 22.0 3.0 128 128 A R 0 0 238 -2,-0.2 -1,-0.1 -3,-0.1 -118,-0.1 -0.711 360.0 360.0 -76.9 109.8 -15.1 19.6 3.2 129 129 A L 0 0 93 -2,-0.8 -119,-0.1 -116,-0.0 -123,-0.0 -0.928 360.0 360.0-130.4 360.0 -16.0 19.7 6.9