==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-98 2BQF . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TAKANO,Y.YAMAGATA,K.YUTANI . 130 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.4 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 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.2 1.6 20.3 21.6 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.921 360.0-143.7-103.7 108.4 4.3 19.4 19.0 3 3 A F - 0 0 13 35,-2.7 2,-0.3 -2,-0.7 3,-0.0 -0.351 9.4-122.2 -72.3 151.0 7.1 22.0 19.2 4 4 A E > - 0 0 144 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.672 33.9-110.8 -85.2 151.4 9.0 23.4 16.3 5 5 A R H > S+ 0 0 91 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.923 113.4 34.8 -49.6 -59.9 12.8 22.7 16.7 6 6 A a H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.873 113.3 59.6 -68.5 -34.1 14.0 26.3 17.3 7 7 A E H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 109.4 44.9 -57.6 -47.5 10.9 27.3 19.2 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.917 108.3 57.0 -63.1 -43.8 11.7 24.6 21.7 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.919 109.4 45.1 -54.7 -46.5 15.5 25.5 21.9 10 10 A R H X S+ 0 0 115 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.898 111.9 53.4 -65.2 -38.4 14.7 29.1 22.9 11 11 A T H X S+ 0 0 21 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.928 110.4 45.4 -63.8 -48.0 12.1 27.9 25.4 12 12 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 6,-0.3 0.857 111.6 53.2 -66.2 -33.5 14.5 25.5 27.2 13 13 A K H ><5S+ 0 0 92 -4,-1.9 3,-1.8 -5,-0.3 5,-0.2 0.940 108.0 49.9 -65.1 -45.9 17.2 28.2 27.2 14 14 A R H 3<5S+ 0 0 182 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.9 57.4 -60.3 -31.3 14.9 30.6 28.9 15 15 A L T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.298 120.8-108.1 -84.6 9.0 14.0 27.9 31.4 16 16 A G T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.784 78.8 130.2 72.2 31.1 17.7 27.5 32.4 17 17 A M > < + 0 0 0 -5,-2.2 3,-1.9 2,-0.1 2,-0.7 0.711 36.7 105.4 -86.8 -22.5 18.5 24.2 30.8 18 18 A D T 3 S- 0 0 80 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.452 103.3 -7.1 -67.5 106.4 21.6 25.3 29.0 19 19 A G T > S+ 0 0 43 4,-2.1 3,-2.0 -2,-0.7 -1,-0.3 0.548 86.7 164.2 87.3 8.0 24.5 23.8 30.9 20 20 A Y B X S-B 23 0B 54 -3,-1.9 3,-2.0 3,-0.7 -1,-0.3 -0.453 79.9 -12.3 -62.2 120.5 22.3 22.5 33.7 21 21 A R T 3 S- 0 0 138 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.809 133.4 -53.4 54.0 35.2 24.6 20.0 35.6 22 22 A G T < S+ 0 0 76 -3,-2.0 2,-0.7 1,-0.2 -1,-0.3 0.508 106.1 132.9 81.5 7.3 27.1 20.1 32.7 23 23 A I B < -B 20 0B 12 -3,-2.0 -4,-2.1 -6,-0.1 -3,-0.7 -0.817 49.3-139.6 -99.8 113.5 24.4 19.3 30.1 24 24 A S >> - 0 0 44 -2,-0.7 4,-1.5 -5,-0.2 3,-0.6 -0.189 21.4-116.0 -65.3 158.1 24.5 21.5 27.0 25 25 A L H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 115.6 61.4 -62.1 -39.1 21.2 22.7 25.4 26 26 A A H 3> S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.828 103.9 50.3 -56.4 -34.7 22.1 20.7 22.2 27 27 A N H <> S+ 0 0 32 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.879 108.1 49.8 -73.8 -39.0 22.0 17.5 24.3 28 28 A W H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.869 112.5 50.0 -65.8 -34.4 18.6 18.3 25.9 29 29 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.908 108.9 50.5 -68.5 -42.1 17.3 18.9 22.3 30 30 A b H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 5,-0.2 0.936 111.8 49.7 -60.6 -44.1 18.8 15.6 21.1 31 31 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.941 111.8 45.7 -59.9 -53.2 17.1 13.9 24.1 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 6,-1.4 0.875 110.9 55.4 -58.9 -39.6 13.6 15.5 23.4 33 33 A K H X5S+ 0 0 69 -4,-2.5 4,-0.9 4,-0.2 -1,-0.2 0.946 115.8 35.0 -58.6 -52.2 13.9 14.7 19.7 34 34 A W H <5S+ 0 0 94 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.699 118.6 51.4 -79.3 -23.5 14.5 11.0 20.2 35 35 A E H <5S- 0 0 41 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.931 137.2 -11.3 -80.6 -45.5 12.2 10.6 23.2 36 36 A S H <5S- 0 0 20 -4,-2.2 3,-0.2 20,-0.4 -3,-0.2 0.451 84.0-110.5-135.4 -4.9 9.0 12.2 21.9 37 37 A G S < -A 2 0A 42 -7,-0.3 3,-1.3 -3,-0.2 -37,-0.2 -0.889 40.1-162.3-108.1 114.2 5.6 16.1 21.5 40 40 A T T 3 S+ 0 0 2 -39,-2.6 16,-0.2 -2,-0.6 -1,-0.1 0.679 89.5 52.1 -66.7 -22.8 4.3 17.1 25.0 41 41 A R T 3 S+ 0 0 180 -40,-0.2 -1,-0.2 14,-0.2 2,-0.1 0.318 77.0 129.7 -98.4 8.5 1.5 14.6 25.0 42 42 A A < + 0 0 20 -3,-1.3 13,-2.1 12,-0.1 2,-0.3 -0.395 31.6 175.2 -63.5 130.6 3.6 11.6 24.1 43 43 A T E -C 54 0C 76 11,-0.2 2,-0.4 -2,-0.1 11,-0.2 -0.990 11.9-169.6-137.3 146.1 3.0 8.6 26.4 44 44 A N E -C 53 0C 89 9,-1.9 9,-2.8 -2,-0.3 2,-0.4 -0.957 11.9-147.5-142.9 119.4 4.5 5.1 26.3 45 45 A Y E -C 52 0C 122 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.695 8.2-147.1 -85.8 135.9 3.4 2.2 28.4 46 46 A N E >>> -C 51 0C 45 5,-3.0 4,-1.8 -2,-0.4 3,-0.8 -0.861 10.2-169.0-105.8 95.5 6.0 -0.4 29.3 47 47 A A T 345S+ 0 0 81 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.823 80.5 62.9 -51.4 -36.8 4.1 -3.7 29.4 48 48 A G T 345S+ 0 0 86 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.824 122.1 13.2 -61.2 -42.6 7.1 -5.4 31.0 49 49 A D T <45S- 0 0 73 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.344 98.6-119.7-118.7 2.6 7.2 -3.4 34.3 50 50 A R T <5 + 0 0 158 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.704 69.8 125.6 67.0 25.4 3.9 -1.7 34.2 51 51 A S E < -C 46 0C 0 -5,-0.7 -5,-3.0 19,-0.1 2,-0.4 -0.681 48.5-141.1-107.4 164.1 5.3 1.9 34.2 52 52 A T E -C 45 0C 7 -2,-0.2 9,-2.4 -7,-0.2 2,-0.5 -0.972 5.4-138.8-130.2 141.7 4.5 4.7 31.8 53 53 A D E -CD 44 60C 28 -9,-2.8 -9,-1.9 -2,-0.4 2,-0.4 -0.888 27.9-157.7 -98.5 129.6 6.8 7.3 30.3 54 54 A Y E > -CD 43 59C 24 5,-2.8 5,-2.3 -2,-0.5 3,-0.4 -0.894 31.9 -21.1-118.0 139.8 5.2 10.8 30.1 55 55 A G T > 5S- 0 0 0 -13,-2.1 3,-1.3 -2,-0.4 -14,-0.2 -0.061 98.2 -28.6 76.8-168.9 5.7 13.9 28.0 56 56 A I T 3 5S+ 0 0 2 28,-0.4 -20,-0.4 1,-0.3 -18,-0.3 0.793 139.7 37.0 -59.5 -31.9 8.4 15.6 26.0 57 57 A F T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.1 -2,-0.2 0.354 106.8-123.0-103.7 5.6 11.2 14.0 28.0 58 58 A Q T < 5 - 0 0 16 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.959 36.9-165.7 48.4 63.4 9.5 10.6 28.5 59 59 A I E < -D 54 0C 2 -5,-2.3 -5,-2.8 25,-0.1 2,-0.3 -0.637 16.6-118.3 -83.2 131.6 9.7 10.8 32.3 60 60 A N E >>> -D 53 0C 25 -2,-0.3 4,-2.3 -7,-0.2 3,-0.9 -0.583 6.1-145.5 -83.4 132.6 9.0 7.6 34.1 61 61 A S T 345S+ 0 0 0 -9,-2.4 6,-0.3 -2,-0.3 13,-0.2 0.589 92.9 65.9 -66.8 -15.4 6.1 7.0 36.6 62 62 A R T 345S+ 0 0 34 11,-0.2 12,-2.5 -10,-0.2 -1,-0.2 0.858 122.2 8.6 -77.3 -29.9 8.0 4.6 38.8 63 63 A Y T <45S+ 0 0 122 -3,-0.9 13,-3.2 10,-0.2 14,-0.3 0.784 130.9 33.3-119.7 -36.0 10.5 7.2 40.0 64 64 A W T <5S+ 0 0 31 -4,-2.3 15,-0.5 11,-0.2 2,-0.3 0.675 113.4 19.8-103.8 -28.0 9.7 10.7 39.0 65 65 A c E - 0 0 12 -9,-0.2 3,-0.8 -18,-0.0 -19,-0.1 -0.831 69.1-129.4 -98.2 122.3 2.5 1.9 38.8 71 71 A P T 3 S+ 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.277 89.0 11.0 -63.4 152.1 3.6 -0.9 41.2 72 72 A G T 3 S+ 0 0 67 1,-0.2 2,-0.2 -9,-0.0 -2,-0.0 0.815 94.1 169.8 44.3 44.5 6.5 -0.0 43.5 73 73 A A < - 0 0 42 -3,-0.8 2,-0.3 -5,-0.1 -10,-0.2 -0.533 20.2-175.1 -91.5 151.1 6.3 3.6 42.7 74 74 A V - 0 0 94 -12,-2.5 2,-0.4 -13,-0.2 -9,-0.2 -0.887 23.4-134.4-133.7 160.8 8.0 6.5 44.3 75 75 A N + 0 0 39 -2,-0.3 -11,-0.2 1,-0.2 -12,-0.1 -0.648 36.3 157.1-123.3 74.7 7.7 10.3 43.6 76 76 A A S S+ 0 0 26 -13,-3.2 -12,-0.2 -2,-0.4 -1,-0.2 0.960 84.3 38.8 -62.1 -51.9 11.2 11.7 43.5 77 77 A A S S- 0 0 21 -14,-0.3 -1,-0.2 -3,-0.2 -13,-0.1 0.593 105.5-137.8 -74.9 -8.5 10.2 14.7 41.4 78 78 A H + 0 0 152 1,-0.2 2,-0.3 -3,-0.0 -13,-0.1 0.865 56.7 122.9 51.0 52.2 7.0 14.9 43.5 79 79 A L E -e 65 0D 40 -15,-0.5 -13,-2.6 16,-0.0 2,-0.4 -0.883 67.4-108.7-135.2 158.8 4.6 15.7 40.7 80 80 A S E > -e 66 0D 64 -2,-0.3 3,-1.3 -15,-0.2 4,-0.4 -0.736 29.8-128.8 -83.9 140.5 1.5 14.1 39.2 81 81 A c G > S+ 0 0 2 -15,-2.2 3,-1.3 -2,-0.4 -14,-0.1 0.762 105.3 74.0 -61.1 -23.5 2.3 12.6 35.7 82 82 A S G > S+ 0 0 82 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.842 86.4 62.4 -55.1 -39.0 -0.7 14.6 34.4 83 83 A A G X S+ 0 0 16 -3,-1.3 3,-0.9 1,-0.3 9,-0.3 0.726 94.4 62.0 -61.3 -24.2 1.5 17.8 34.7 84 84 A L G < S+ 0 0 4 -3,-1.3 -28,-0.4 -4,-0.4 -1,-0.3 0.285 94.9 61.3 -88.0 8.5 4.0 16.4 32.1 85 85 A L G < S+ 0 0 58 -3,-1.6 -1,-0.2 -30,-0.1 -2,-0.2 0.245 81.3 113.9-114.9 8.3 1.3 16.2 29.4 86 86 A Q S < S- 0 0 85 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.325 73.9-125.7 -76.9 160.7 0.7 20.1 29.4 87 87 A D S S+ 0 0 100 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.802 99.6 75.5 -74.0 -32.0 1.5 22.4 26.5 88 88 A N S > S- 0 0 104 1,-0.1 3,-0.5 -48,-0.0 4,-0.3 -0.763 72.0-160.9 -81.9 115.5 3.5 24.5 29.0 89 89 A V T 3> + 0 0 6 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.315 60.8 106.5 -82.3 8.2 6.8 22.5 29.6 90 90 A A H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 83.7 43.7 -53.5 -48.3 7.8 24.3 32.8 91 91 A D H <> S+ 0 0 61 -3,-0.5 4,-2.0 -8,-0.2 -1,-0.2 0.896 112.3 52.4 -66.5 -38.1 6.9 21.2 35.0 92 92 A A H > S+ 0 0 5 -9,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.839 109.8 50.6 -64.7 -35.0 8.5 18.8 32.6 93 93 A V H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.913 108.8 50.0 -69.7 -42.5 11.7 20.9 32.8 94 94 A A H X S+ 0 0 51 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.876 113.5 47.0 -64.1 -36.2 11.7 20.9 36.5 95 95 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.900 110.3 51.8 -70.5 -44.2 11.2 17.1 36.5 96 96 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.888 108.2 52.2 -59.7 -39.8 14.0 16.6 34.0 97 97 A K H < S+ 0 0 42 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.924 108.3 52.0 -62.8 -41.9 16.4 18.7 36.1 98 98 A R H >< S+ 0 0 60 -4,-1.6 3,-1.2 1,-0.2 4,-0.3 0.905 105.6 54.7 -60.4 -44.2 15.5 16.5 39.1 99 99 A V H >< S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.914 108.4 48.4 -56.4 -45.7 16.3 13.3 37.1 100 100 A V T 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.469 91.6 77.5 -77.0 -3.2 19.8 14.6 36.3 101 101 A R T < S+ 0 0 121 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.570 80.3 86.6 -77.9 -13.7 20.6 15.6 39.9 102 102 A D S X S- 0 0 63 -3,-1.2 3,-1.8 -4,-0.3 6,-0.1 -0.621 102.1-101.9 -80.4 153.4 21.2 11.9 40.5 103 103 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.736 116.4 65.1 -47.8 -30.8 24.8 10.6 39.7 104 104 A Q T > S- 0 0 112 1,-0.2 3,-1.4 -5,-0.1 -4,-0.1 0.850 80.8-180.0 -63.7 -34.7 23.8 9.0 36.3 105 105 A G G X - 0 0 13 -3,-1.8 3,-2.0 -6,-0.3 -1,-0.2 -0.374 64.1 -9.2 69.7-144.5 23.0 12.4 34.9 106 106 A I G > S+ 0 0 13 1,-0.3 3,-1.5 2,-0.1 -1,-0.3 0.703 123.6 78.8 -61.0 -19.3 21.8 12.5 31.3 107 107 A R G < + 0 0 115 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.570 66.9 89.4 -68.0 -8.3 22.7 8.8 31.0 108 108 A A G < S+ 0 0 37 -3,-2.0 2,-0.7 -6,-0.1 -1,-0.3 0.817 79.1 66.9 -58.0 -31.4 19.4 8.0 32.8 109 109 A W S X> S- 0 0 21 -3,-1.5 3,-1.2 1,-0.2 4,-1.0 -0.840 73.0-157.5 -94.4 115.4 17.7 7.9 29.5 110 110 A V H 3> S+ 0 0 82 -2,-0.7 4,-1.8 1,-0.3 3,-0.5 0.869 92.1 64.7 -60.3 -33.8 19.0 4.9 27.4 111 111 A A H 3> S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.806 95.8 58.0 -57.6 -32.4 17.9 6.7 24.2 112 112 A W H <>>S+ 0 0 17 -3,-1.2 5,-2.5 -6,-0.2 4,-2.4 0.917 106.2 48.5 -65.4 -40.4 20.5 9.4 25.0 113 113 A R H <5S+ 0 0 99 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.895 115.4 44.1 -64.0 -43.6 23.3 6.8 25.0 114 114 A N H <5S+ 0 0 92 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.871 130.1 19.2 -71.8 -42.3 22.2 5.3 21.7 115 115 A R H <5S+ 0 0 115 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.576 132.2 23.9-112.2 -6.7 21.5 8.4 19.7 116 116 A b T ><5S+ 0 0 1 -4,-2.4 3,-1.8 -5,-0.3 -3,-0.2 0.723 84.2 99.5-123.8 -46.4 23.3 11.4 21.3 117 117 A Q T 3 + 0 0 18 -2,-0.9 3,-1.9 1,-0.1 4,-0.3 0.275 43.4 105.3-104.8 11.6 24.7 17.3 18.2 122 122 A R G >> + 0 0 152 1,-0.3 3,-1.9 2,-0.2 4,-1.2 0.839 66.9 73.9 -59.6 -33.2 25.1 20.9 17.0 123 123 A Q G 34 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.687 85.9 65.1 -54.5 -21.7 22.5 20.2 14.3 124 124 A Y G <4 S+ 0 0 22 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.773 115.7 24.6 -76.3 -22.9 19.8 20.3 17.0 125 125 A V T X4 S+ 0 0 23 -3,-1.9 3,-1.6 -4,-0.3 5,-0.5 0.376 87.8 126.8-120.3 0.2 20.4 24.0 17.9 126 126 A Q T 3< S+ 0 0 105 -4,-1.2 -120,-0.1 1,-0.2 -3,-0.0 -0.419 80.4 10.2 -68.0 130.9 21.9 25.4 14.7 127 127 A G T 3 S+ 0 0 81 -2,-0.1 -1,-0.2 3,-0.1 -4,-0.0 0.311 98.3 106.8 85.4 -2.2 20.1 28.5 13.4 128 128 A a S < S- 0 0 1 -3,-1.6 -2,-0.1 -123,-0.0 -118,-0.1 0.525 84.7-120.8 -87.1 -8.2 17.9 28.9 16.5 129 129 A G 0 0 79 -4,-0.2 -3,-0.1 1,-0.2 -1,-0.0 0.811 360.0 360.0 74.1 29.3 19.6 31.9 18.0 130 130 A V 0 0 70 -5,-0.5 -1,-0.2 -117,-0.0 -3,-0.1 -0.542 360.0 360.0-113.2 360.0 20.6 30.3 21.3