==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-99 1CKC . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TAKANO,Y.YAMAGATA,J.FUNAHASHI,K.YUTANI . 130 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 10 7.7 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 . 34 26.2 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 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 . 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 80 0, 0.0 39,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.2 1.6 20.4 22.0 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.938 360.0-147.0-106.7 106.6 4.1 19.5 19.3 3 3 A F - 0 0 10 35,-2.7 2,-0.3 -2,-0.7 3,-0.0 -0.441 9.6-125.1 -72.0 149.5 6.9 22.1 19.5 4 4 A E > - 0 0 149 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.664 34.8-107.2 -88.2 151.2 8.8 23.3 16.4 5 5 A R H > S+ 0 0 90 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.907 113.9 36.5 -47.1 -62.6 12.6 22.8 16.8 6 6 A a H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.851 112.9 58.8 -65.5 -34.2 13.8 26.4 17.3 7 7 A E H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 110.5 43.7 -58.3 -47.5 10.7 27.4 19.3 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.895 110.1 55.9 -64.0 -41.6 11.6 24.6 21.8 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.906 110.5 44.4 -58.5 -43.7 15.3 25.6 21.8 10 10 A R H X S+ 0 0 115 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.899 112.8 52.3 -70.1 -35.4 14.6 29.2 22.8 11 11 A T H X S+ 0 0 23 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.924 109.9 48.0 -65.7 -45.2 12.1 28.0 25.4 12 12 A L H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 6,-0.3 0.888 109.9 52.1 -64.7 -38.7 14.6 25.7 27.0 13 13 A K H ><5S+ 0 0 95 -4,-1.9 3,-1.6 -5,-0.2 5,-0.2 0.909 108.0 51.6 -64.6 -40.1 17.3 28.3 27.1 14 14 A R H 3<5S+ 0 0 186 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 105.5 56.8 -66.2 -27.9 14.9 30.8 28.8 15 15 A L T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.321 121.4-107.7 -85.1 6.1 14.2 28.1 31.4 16 16 A G T < 5S+ 0 0 40 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.735 78.4 130.2 75.7 31.0 17.9 27.8 32.3 17 17 A M > < + 0 0 0 -5,-2.0 3,-1.9 2,-0.1 2,-0.6 0.694 34.6 107.4 -88.2 -19.2 18.7 24.4 30.7 18 18 A D T 3 S- 0 0 80 -6,-0.3 6,-0.2 1,-0.3 4,-0.1 -0.480 102.9 -7.5 -66.9 109.6 21.8 25.5 28.8 19 19 A G T > S+ 0 0 42 4,-1.9 3,-2.0 -2,-0.6 -1,-0.3 0.564 87.5 165.1 83.2 10.6 24.7 23.9 30.6 20 20 A Y B X S-B 23 0B 56 -3,-1.9 3,-1.9 3,-0.8 -1,-0.3 -0.461 79.0 -10.4 -64.7 124.4 22.6 22.7 33.6 21 21 A R T 3 S- 0 0 164 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.839 135.1 -54.7 51.9 35.3 24.7 20.2 35.5 22 22 A G T < S+ 0 0 74 -3,-2.0 2,-0.6 1,-0.2 -1,-0.3 0.570 105.9 133.7 78.6 11.5 27.1 20.4 32.6 23 23 A I B < -B 20 0B 11 -3,-1.9 -4,-1.9 -6,-0.1 -3,-0.8 -0.850 48.7-137.9-101.9 117.2 24.5 19.5 29.9 24 24 A S >> - 0 0 47 -2,-0.6 4,-1.5 -5,-0.2 3,-1.0 -0.237 21.1-115.0 -68.9 154.1 24.5 21.6 26.8 25 25 A L H 3> S+ 0 0 5 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.893 115.2 59.6 -55.2 -43.4 21.2 22.8 25.2 26 26 A A H 3> S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.819 103.8 52.5 -58.0 -30.3 21.9 20.7 22.0 27 27 A N H <> S+ 0 0 30 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.898 108.5 48.6 -72.4 -40.9 21.9 17.6 24.2 28 28 A W H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.901 111.9 50.7 -63.9 -40.2 18.6 18.4 25.8 29 29 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.928 109.7 49.3 -62.7 -44.6 17.2 19.0 22.3 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.911 111.3 50.8 -61.2 -43.1 18.5 15.7 21.1 31 31 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.958 112.2 44.4 -60.3 -51.5 16.9 14.0 24.1 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 6,-1.5 0.870 111.5 56.4 -62.0 -37.1 13.5 15.6 23.6 33 33 A K H X5S+ 0 0 68 -4,-2.4 4,-1.1 4,-0.2 -1,-0.2 0.963 115.5 34.1 -58.6 -54.0 13.7 14.8 19.9 34 34 A W H <5S+ 0 0 94 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.759 119.2 50.8 -76.4 -27.4 14.2 11.0 20.4 35 35 A E H <5S- 0 0 44 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.934 137.4 -10.1 -75.8 -45.3 12.1 10.6 23.4 36 36 A S H <5S- 0 0 20 -4,-2.1 3,-0.3 20,-0.4 -3,-0.2 0.466 83.8-110.7-134.7 -6.0 8.9 12.3 22.2 37 37 A G S < -A 2 0A 39 -7,-0.3 3,-0.8 -3,-0.3 -37,-0.2 -0.881 38.1-165.7-106.2 118.9 5.5 16.3 21.9 40 40 A T T 3 S+ 0 0 1 -39,-2.8 16,-0.2 -2,-0.6 -1,-0.1 0.677 83.6 56.1 -76.1 -19.8 4.2 17.2 25.4 41 41 A R T 3 S+ 0 0 185 -40,-0.3 2,-0.2 14,-0.2 -1,-0.2 0.449 73.7 123.3 -94.7 2.4 1.2 14.8 25.5 42 42 A A < + 0 0 21 -3,-0.8 13,-2.5 -6,-0.1 2,-0.4 -0.447 31.5 173.0 -66.9 127.1 3.0 11.6 24.8 43 43 A A E -C 54 0C 49 11,-0.2 2,-0.5 -2,-0.2 11,-0.2 -0.964 9.1-169.1-137.4 114.1 2.5 8.9 27.5 44 44 A N E -C 53 0C 98 9,-2.1 9,-2.5 -2,-0.4 2,-0.3 -0.940 12.7-142.8-114.1 123.0 3.8 5.4 26.9 45 45 A Y E -C 52 0C 122 -2,-0.5 2,-0.8 7,-0.2 7,-0.2 -0.569 6.6-146.6 -80.4 138.0 3.0 2.4 29.0 46 46 A N E >>> -C 51 0C 49 5,-3.1 4,-1.5 -2,-0.3 3,-1.0 -0.873 10.4-170.3-107.0 96.8 5.7 -0.1 29.7 47 47 A A T 345S+ 0 0 78 -2,-0.8 -1,-0.2 1,-0.2 5,-0.0 0.814 79.4 67.6 -56.0 -31.1 3.9 -3.4 29.9 48 48 A G T 345S+ 0 0 84 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.808 120.5 9.9 -61.2 -38.5 7.1 -5.1 31.1 49 49 A D T <45S- 0 0 67 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.277 98.5-113.2-127.8 9.1 7.3 -3.3 34.5 50 50 A R T <5S+ 0 0 162 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.627 75.9 122.1 68.8 18.4 4.0 -1.5 34.9 51 51 A S E < -C 46 0C 0 -5,-0.7 -5,-3.1 19,-0.1 2,-0.3 -0.643 49.5-143.9-106.0 166.9 5.4 2.0 34.7 52 52 A T E -C 45 0C 6 -7,-0.2 9,-2.2 -2,-0.2 2,-0.4 -0.981 7.3-136.6-134.5 140.8 4.6 4.8 32.2 53 53 A D E -CD 44 60C 31 -9,-2.5 -9,-2.1 -2,-0.3 2,-0.4 -0.851 27.6-152.3 -97.0 133.6 6.9 7.4 30.6 54 54 A Y E > -CD 43 59C 23 5,-2.2 5,-2.2 -2,-0.4 3,-0.4 -0.918 31.2 -33.3-122.0 131.5 5.3 10.9 30.5 55 55 A G T > 5S- 0 0 1 -13,-2.5 3,-1.4 -2,-0.4 -15,-0.2 -0.046 97.9 -21.7 76.7-165.2 5.7 14.0 28.3 56 56 A I T 3 5S+ 0 0 2 28,-0.3 -20,-0.4 1,-0.3 -18,-0.3 0.762 141.7 34.3 -57.1 -32.8 8.3 15.7 26.2 57 57 A F T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.371 104.9-127.6-103.5 0.7 11.2 14.1 28.2 58 58 A Q T < 5 - 0 0 11 -3,-1.4 2,-0.3 -16,-0.2 -3,-0.2 0.952 34.0-165.7 49.6 58.6 9.4 10.8 28.8 59 59 A I E < -D 54 0C 2 -5,-2.2 -5,-2.2 25,-0.1 2,-0.2 -0.615 17.8-116.5 -78.8 131.5 10.0 10.9 32.5 60 60 A N E >>> -D 53 0C 27 -2,-0.3 4,-2.2 -7,-0.2 3,-0.8 -0.478 6.8-143.9 -77.4 135.4 9.3 7.5 34.3 61 61 A S T 345S+ 0 0 0 -9,-2.2 6,-0.3 -2,-0.2 7,-0.2 0.623 90.9 71.2 -69.9 -15.6 6.5 7.0 36.9 62 62 A R T 345S+ 0 0 44 11,-0.2 12,-2.8 -10,-0.1 -1,-0.2 0.853 120.5 6.9 -71.8 -32.4 8.5 4.6 39.1 63 63 A Y T <45S+ 0 0 124 -3,-0.8 13,-2.4 10,-0.2 -2,-0.2 0.700 131.6 38.2-121.6 -29.2 11.0 7.2 40.4 64 64 A W T <5S+ 0 0 32 -4,-2.2 13,-2.0 11,-0.2 15,-0.4 0.826 109.0 18.1-103.1 -36.1 10.0 10.7 39.3 65 65 A c S S- 0 0 12 -9,-0.1 3,-1.1 -18,-0.0 -2,-0.1 -0.826 75.1-123.1 -93.8 117.6 3.0 2.1 39.4 71 71 A P T 3 S- 0 0 67 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.233 85.9 -0.8 -58.6 140.9 4.1 -0.6 42.0 72 72 A G T 3 S+ 0 0 80 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.785 96.1 160.1 48.6 38.2 6.7 0.4 44.5 73 73 A A < - 0 0 34 -3,-1.1 2,-0.3 -5,-0.1 -10,-0.2 -0.529 28.8-157.9 -94.6 154.0 7.1 3.8 43.1 74 74 A V - 0 0 87 -12,-2.8 -9,-0.2 -2,-0.2 2,-0.2 -0.730 14.6-138.2-117.7 171.2 8.5 7.0 44.5 75 75 A N > + 0 0 52 -2,-0.3 3,-1.4 1,-0.1 -11,-0.2 -0.570 29.6 164.4-133.9 70.4 7.8 10.6 43.5 76 76 A A T 3 S+ 0 0 22 -13,-2.4 -12,-0.2 1,-0.3 -11,-0.1 0.793 79.4 50.7 -60.1 -31.8 11.1 12.4 43.6 77 77 A d T 3 S- 0 0 20 -13,-2.0 -1,-0.3 -14,-0.1 -12,-0.1 0.603 102.9-133.3 -82.9 -7.8 9.8 15.4 41.6 78 78 A H < + 0 0 155 -3,-1.4 2,-0.3 1,-0.2 -13,-0.1 0.946 64.2 121.0 54.7 50.9 6.9 15.7 44.0 79 79 A L S S- 0 0 38 -15,-0.4 -13,-2.8 16,-0.0 2,-0.3 -0.973 70.1-113.3-140.5 154.2 4.5 16.0 41.0 80 80 A S B > -e 66 0D 69 -2,-0.3 3,-1.5 -15,-0.2 4,-0.4 -0.656 34.3-123.5 -79.3 144.7 1.4 14.3 39.6 81 81 A c G > S+ 0 0 2 -15,-2.4 3,-1.5 -2,-0.3 -14,-0.1 0.786 109.9 72.3 -62.5 -23.8 2.4 12.7 36.3 82 82 A S G > S+ 0 0 80 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.844 86.1 66.0 -57.3 -33.1 -0.5 14.7 34.8 83 83 A A G X S+ 0 0 18 -3,-1.5 3,-0.8 1,-0.3 9,-0.3 0.774 94.1 58.9 -60.5 -26.2 1.7 17.8 35.3 84 84 A L G < S+ 0 0 3 -3,-1.5 -28,-0.3 -4,-0.4 -1,-0.3 0.275 97.5 61.0 -87.8 9.0 4.2 16.3 32.7 85 85 A L G < S+ 0 0 55 -3,-2.0 -1,-0.2 -30,-0.1 -2,-0.2 0.255 79.2 113.3-115.7 7.7 1.5 16.3 30.0 86 86 A Q S < S- 0 0 85 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.402 73.0-127.0 -77.8 158.9 0.7 20.0 30.0 87 87 A D S S+ 0 0 98 -2,-0.1 2,-0.7 -46,-0.1 -1,-0.1 0.798 99.5 77.0 -72.3 -32.2 1.5 22.3 27.0 88 88 A N S S- 0 0 107 1,-0.1 3,-0.5 -48,-0.0 4,-0.3 -0.757 71.3-163.8 -80.4 116.4 3.4 24.5 29.5 89 89 A I > + 0 0 8 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.256 57.6 107.2 -89.7 13.8 6.7 22.6 30.0 90 90 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 84.8 42.7 -56.8 -47.1 7.9 24.5 33.2 91 91 A D H > S+ 0 0 61 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.893 112.6 52.8 -67.9 -40.9 7.1 21.5 35.5 92 92 A A H > S+ 0 0 7 -9,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.887 111.1 48.6 -60.5 -39.4 8.6 19.0 33.0 93 93 A V H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 108.8 51.4 -68.3 -43.6 11.8 21.1 33.0 94 94 A A H X S+ 0 0 56 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.910 114.1 45.2 -59.5 -40.3 12.0 21.3 36.8 95 95 A d H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.891 109.2 54.2 -71.4 -39.2 11.6 17.6 37.0 96 96 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.897 107.4 52.3 -59.9 -41.4 14.2 16.9 34.2 97 97 A K H X S+ 0 0 45 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.906 108.2 51.7 -61.7 -39.5 16.6 19.1 36.2 98 98 A R H >< S+ 0 0 66 -4,-1.6 3,-1.2 1,-0.2 4,-0.3 0.929 105.7 54.8 -62.2 -46.8 15.9 16.9 39.2 99 99 A V H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.3 6,-0.3 0.905 108.5 47.5 -53.7 -48.0 16.6 13.7 37.3 100 100 A V H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.573 93.0 76.3 -75.7 -6.5 20.1 14.9 36.2 101 101 A R T << S+ 0 0 120 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.580 83.1 88.0 -76.2 -12.4 21.0 16.0 39.7 102 102 A D S X S- 0 0 64 -3,-1.3 3,-1.7 -4,-0.3 6,-0.1 -0.506 101.7 -97.2 -81.5 159.3 21.5 12.2 40.3 103 103 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.773 119.0 58.1 -47.0 -38.2 24.9 10.6 39.6 104 104 A Q T > S- 0 0 117 1,-0.2 3,-1.7 -5,-0.1 -4,-0.1 0.708 82.2-177.1 -68.4 -25.2 24.0 9.3 36.1 105 105 A G G X - 0 0 16 -3,-1.7 3,-1.5 -6,-0.3 -1,-0.2 -0.327 67.8 -7.9 64.6-136.3 23.2 12.7 34.8 106 106 A I G > S+ 0 0 14 1,-0.3 3,-1.6 2,-0.1 -1,-0.3 0.715 124.2 77.7 -66.5 -21.1 21.9 12.7 31.2 107 107 A R G < + 0 0 121 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.595 66.8 90.6 -66.4 -9.7 22.7 9.0 31.0 108 108 A A G < S+ 0 0 37 -3,-1.5 2,-0.7 1,-0.1 -1,-0.3 0.752 80.2 66.1 -57.9 -25.7 19.6 8.2 33.0 109 109 A W S X> S- 0 0 20 -3,-1.6 3,-1.1 1,-0.1 4,-1.0 -0.892 72.4-157.5-101.7 116.0 17.8 8.0 29.6 110 110 A V H 3> S+ 0 0 75 -2,-0.7 4,-2.2 1,-0.3 3,-0.3 0.844 90.9 64.6 -59.8 -33.6 19.0 5.1 27.4 111 111 A A H 3> S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.852 97.7 56.4 -59.4 -31.8 17.8 6.9 24.2 112 112 A W H <>>S+ 0 0 17 -3,-1.1 5,-2.7 -6,-0.2 4,-2.3 0.904 107.4 48.1 -65.3 -42.3 20.4 9.6 24.9 113 113 A R H <5S+ 0 0 106 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.927 116.8 43.5 -62.9 -43.6 23.2 7.0 24.9 114 114 A N H <5S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.898 131.0 17.4 -70.2 -44.9 21.9 5.4 21.7 115 115 A R H <5S+ 0 0 113 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.576 132.2 27.5-110.1 -10.6 21.2 8.5 19.7 116 116 A b T ><5S+ 0 0 2 -4,-2.3 3,-1.8 -5,-0.3 -3,-0.2 0.710 82.7 103.8-120.1 -39.7 23.0 11.5 21.2 117 117 A Q T 3 + 0 0 20 -2,-1.1 3,-1.5 1,-0.2 4,-0.4 0.359 46.5 104.9 -94.8 7.9 24.4 17.3 18.1 122 122 A R G >> + 0 0 162 1,-0.3 3,-1.8 2,-0.2 4,-1.2 0.856 67.4 69.3 -54.0 -40.9 25.0 20.8 16.6 123 123 A Q G 34 S+ 0 0 128 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.738 86.5 67.1 -50.7 -31.2 22.1 20.3 14.1 124 124 A Y G <4 S+ 0 0 23 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.753 115.1 25.2 -67.2 -24.5 19.5 20.4 16.9 125 125 A V T X4 S+ 0 0 25 -3,-1.8 3,-2.1 -4,-0.4 5,-0.4 0.423 87.0 131.2-117.4 -4.7 20.1 24.1 17.7 126 126 A Q T 3< S+ 0 0 112 -4,-1.2 -120,-0.1 1,-0.3 -3,-0.0 -0.303 81.6 4.6 -57.1 127.2 21.5 25.4 14.4 127 127 A G T 3 S+ 0 0 81 3,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.433 96.6 112.3 78.5 5.2 19.8 28.6 13.2 128 128 A a S < S- 0 0 1 -3,-2.1 -2,-0.1 2,-0.1 -118,-0.1 0.534 82.1-120.6 -87.5 -6.9 17.7 29.0 16.4 129 129 A G 0 0 78 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.830 360.0 360.0 72.4 33.6 19.3 32.1 17.7 130 130 A V 0 0 70 -5,-0.4 -1,-0.2 -117,-0.0 -3,-0.1 -0.753 360.0 360.0-121.9 360.0 20.4 30.5 21.1