==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-FEB-04 1SFB . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR R.B.VON DREELE . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 62.8 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 . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 17.8 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 3 1 1 0 0 0 0 1 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 129 0, 0.0 2,-0.4 0, 0.0 40,-0.3 0.000 360.0 360.0 360.0 164.0 2.0 9.6 8.3 2 2 A V - 0 0 122 37,-0.1 2,-0.3 38,-0.1 37,-0.1 -0.833 360.0-159.5-127.2 96.2 2.3 12.6 5.9 3 3 A F - 0 0 43 35,-1.4 5,-0.1 -2,-0.4 2,-0.1 -0.556 6.4-144.4 -86.7 143.4 -0.8 14.7 6.1 4 4 A G > - 0 0 43 -2,-0.3 4,-0.6 1,-0.0 5,-0.0 -0.220 40.7 -89.6 -89.8 175.0 -1.9 17.1 3.4 5 5 A R T >4 S+ 0 0 155 2,-0.2 3,-1.0 1,-0.2 4,-0.2 0.975 121.1 30.5 -59.4 -60.1 -3.6 20.3 4.4 6 6 A a G >> S+ 0 0 46 1,-0.2 3,-2.2 2,-0.2 4,-1.6 0.939 117.8 56.7 -66.3 -43.5 -7.3 19.3 4.5 7 7 A E G 34 S+ 0 0 146 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.507 107.2 47.0 -73.0 -2.2 -6.7 15.7 5.5 8 8 A L G << S+ 0 0 30 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.275 113.5 51.7-111.1 2.6 -4.8 16.6 8.6 9 9 A A T X4 S+ 0 0 19 -3,-2.2 3,-2.0 -4,-0.2 4,-0.3 0.801 84.4 70.4-108.2 -41.3 -7.3 19.1 9.8 10 10 A A T 3X S+ 0 0 42 -4,-1.6 4,-0.5 1,-0.3 3,-0.4 0.672 83.3 82.1 -59.0 -15.1 -10.9 17.8 9.8 11 11 A A H 3> S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.707 75.2 68.8 -65.2 -22.4 -10.0 15.6 12.8 12 12 A M H X>>S+ 0 0 42 -3,-2.0 5,-3.2 1,-0.3 3,-1.1 0.968 98.9 49.2 -63.6 -44.9 -10.4 18.4 15.4 13 13 A K H 345S+ 0 0 93 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.720 110.2 55.4 -64.5 -15.9 -14.1 18.5 14.9 14 14 A R H 3<5S+ 0 0 154 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.769 112.1 40.3 -82.5 -29.7 -13.7 14.7 15.3 15 15 A H H <<5S- 0 0 38 -4,-1.4 -2,-0.2 -3,-1.1 -1,-0.2 0.254 123.7 -98.6-103.6 11.6 -12.0 15.2 18.7 16 16 A G T <5S+ 0 0 37 -4,-0.6 -3,-0.2 -5,-0.1 -4,-0.1 0.708 87.6 124.5 80.8 18.9 -14.2 17.9 19.9 17 17 A L > < + 0 0 17 -5,-3.2 3,-1.5 -6,-0.2 2,-0.4 0.673 39.8 106.8 -83.6 -15.4 -11.9 20.8 19.0 18 18 A D T 3 S- 0 0 37 -6,-0.5 3,-0.1 1,-0.3 6,-0.1 -0.494 105.0 -14.7 -70.1 123.0 -14.5 22.6 16.9 19 19 A N T 3 S+ 0 0 108 -2,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.920 104.3 160.9 54.0 45.2 -15.7 25.6 18.7 20 20 A Y B X -A 23 0A 84 -3,-1.5 3,-1.4 3,-1.4 -1,-0.2 -0.880 50.9 -8.7-112.7 136.5 -14.2 24.2 21.8 21 21 A R T 3 S- 0 0 88 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.934 124.6 -56.1 53.1 49.6 -13.2 25.9 25.0 22 22 A G T 3 S+ 0 0 89 -3,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.270 121.9 104.5 75.9 -9.3 -13.8 29.4 23.8 23 23 A Y B < S-A 20 0A 54 -3,-1.4 -3,-1.4 -6,-0.0 -1,-0.2 -0.880 73.8-133.2-103.3 118.7 -11.4 28.8 21.0 24 24 A S >> - 0 0 51 -2,-0.7 3,-0.8 -5,-0.3 4,-0.6 -0.358 27.4-107.4 -70.2 154.4 -13.2 28.2 17.8 25 25 A L H >> S+ 0 0 15 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.864 114.9 55.3 -48.5 -42.7 -12.0 25.1 15.9 26 26 A G H 3> S+ 0 0 3 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.770 89.7 68.9 -68.0 -31.2 -10.3 27.1 13.3 27 27 A N H <4 S+ 0 0 42 -3,-0.8 4,-0.4 1,-0.2 -1,-0.2 0.808 103.2 53.3 -55.5 -26.9 -8.0 29.3 15.5 28 28 A W H XX S+ 0 0 34 -3,-1.0 4,-0.7 -4,-0.6 3,-0.5 0.824 94.2 63.1 -78.3 -42.8 -6.2 26.0 16.1 29 29 A V H >X S+ 0 0 20 -4,-0.6 3,-1.6 -3,-0.5 4,-0.5 0.897 92.1 61.9 -60.3 -48.1 -5.4 24.6 12.6 30 30 A b H >< S+ 0 0 0 -4,-0.9 3,-1.2 1,-0.3 -1,-0.2 0.839 99.3 56.7 -48.5 -38.8 -3.0 27.4 11.4 31 31 A A H X> S+ 0 0 11 -3,-0.5 3,-2.9 -4,-0.4 4,-0.5 0.860 92.3 73.6 -63.2 -29.8 -0.6 26.6 14.2 32 32 A A H S+ 0 0 24 -3,-1.6 4,-1.4 -4,-0.7 6,-1.4 0.774 97.1 45.3 -57.1 -30.8 -0.4 23.1 12.9 33 33 A K H <<5S+ 0 0 84 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.288 115.2 51.6 -93.9 9.1 1.7 24.1 9.9 34 34 A F H <45S+ 0 0 42 -3,-2.9 -2,-0.3 -4,-0.1 -1,-0.2 0.301 112.1 44.0-119.0 0.7 3.7 26.1 12.4 35 35 A E H <5S- 0 0 53 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.2 0.744 140.9 -15.1-114.7 -41.1 4.3 23.3 14.8 36 36 A S T <5S- 0 0 9 -4,-1.4 -3,-0.2 -5,-0.2 5,-0.2 0.342 85.0-114.4-141.6 1.8 5.2 20.2 12.8 37 37 A N S - 0 0 47 -7,-0.3 3,-1.0 -37,-0.1 -1,-0.1 -0.968 47.9-168.9-134.6 122.5 3.8 15.8 10.8 40 40 A T T 3 S+ 0 0 3 -2,-0.4 16,-0.1 -39,-0.3 14,-0.1 0.405 88.7 69.8 -86.7 4.9 3.5 14.0 14.1 41 41 A Q T 3 S+ 0 0 135 -40,-0.3 2,-0.6 13,-0.2 -1,-0.2 0.345 71.2 104.7 -98.7 0.8 7.0 12.6 13.5 42 42 A A < + 0 0 34 -3,-1.0 15,-0.3 -6,-0.1 2,-0.3 -0.772 47.9 153.0 -87.3 120.7 8.7 16.0 13.9 43 43 A T + 0 0 56 -2,-0.6 2,-0.3 10,-0.1 10,-0.1 -0.998 16.3 167.1-152.5 145.6 10.5 16.2 17.3 44 44 A N - 0 0 121 -2,-0.3 8,-3.1 10,-0.1 2,-0.1 -0.983 30.4-124.2-150.9 163.7 13.4 17.8 19.1 45 45 A R B -B 51 0B 138 6,-0.3 2,-0.3 -2,-0.3 6,-0.3 -0.138 41.9-128.0 -91.0-175.5 14.9 18.4 22.5 46 46 A N > - 0 0 88 4,-0.6 3,-2.9 -2,-0.1 -1,-0.0 -0.938 22.8 -98.1-140.4 177.5 15.5 22.0 23.4 47 47 A T T 3 S+ 0 0 147 1,-0.3 -1,-0.0 -2,-0.3 -2,-0.0 0.338 128.4 56.9 -71.1 5.3 18.1 24.6 24.7 48 48 A D T 3 S- 0 0 59 2,-0.3 -1,-0.3 0, 0.0 3,-0.1 0.434 118.5-121.2-104.1 -18.5 16.4 23.9 27.9 49 49 A G S < S+ 0 0 29 -3,-2.9 -2,-0.1 1,-0.4 2,-0.1 0.160 72.4 127.1 91.0 -12.4 17.2 20.2 27.5 50 50 A S - 0 0 4 -5,-0.2 -4,-0.6 9,-0.1 -1,-0.4 -0.460 57.6-130.7 -73.5 145.6 13.6 19.1 27.6 51 51 A T B -B 45 0B 13 -6,-0.3 9,-3.2 -2,-0.1 -6,-0.3 -0.662 15.4-132.6 -94.6 158.8 12.7 17.0 24.6 52 52 A D - 0 0 23 -8,-3.1 2,-0.4 7,-0.3 7,-0.3 -0.635 14.4-144.2-105.5 163.9 9.6 17.8 22.5 53 53 A Y > - 0 0 28 -2,-0.2 5,-2.1 1,-0.1 3,-0.2 -0.909 44.2 -31.8-142.2 117.5 7.1 15.2 21.4 54 54 A G T > 5S- 0 0 0 -2,-0.4 3,-1.7 2,-0.2 -13,-0.2 -0.078 92.0 -50.4 81.1-175.0 5.0 14.9 18.1 55 55 A I T 3 5S+ 0 0 18 1,-0.3 -1,-0.2 28,-0.1 -18,-0.1 0.832 139.7 63.3 -61.3 -26.8 3.5 17.3 15.6 56 56 A L T 3 5S- 0 0 44 -3,-0.2 -1,-0.3 -16,-0.1 -2,-0.2 0.743 100.8-147.9 -65.2 -30.9 2.3 18.6 18.8 57 57 A Q T < 5 + 0 0 46 -3,-1.7 2,-0.3 -15,-0.3 -3,-0.2 0.889 27.5 179.1 58.4 46.0 5.9 19.3 19.8 58 58 A I < - 0 0 21 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.625 24.4-122.7 -87.7 133.8 5.3 18.7 23.5 59 59 A N >>> - 0 0 49 -2,-0.3 4,-1.6 -7,-0.3 5,-0.7 -0.537 2.4-144.1 -81.8 131.7 8.2 19.0 26.1 60 60 A S T 345S+ 0 0 0 -9,-3.2 6,-0.3 -2,-0.3 7,-0.2 0.531 90.8 71.4 -69.1 -8.0 9.2 16.1 28.4 61 61 A R T 345S+ 0 0 102 -10,-0.3 12,-0.9 11,-0.1 -1,-0.2 0.899 113.8 13.2 -77.3 -47.5 10.0 18.5 31.3 62 62 A W T <45S+ 0 0 139 -3,-0.6 12,-0.9 10,-0.2 13,-0.9 0.759 133.5 32.6-100.4 -34.0 6.5 19.7 32.3 63 63 A W T <5S+ 0 0 51 -4,-1.6 13,-0.9 11,-0.2 14,-0.6 0.929 106.0 19.9-101.5 -45.3 4.1 17.4 30.6 64 64 A c < - 0 0 6 -5,-0.7 2,-0.6 10,-0.1 3,-0.2 -0.563 63.6-104.8-127.7-173.4 5.1 13.8 30.1 65 65 A N B +c 79 0C 92 13,-0.6 15,-0.5 -2,-0.2 -4,-0.1 -0.860 46.2 141.2-111.7 102.9 7.4 10.8 31.0 66 66 A D - 0 0 47 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.1 0.413 63.0-131.4-106.0 -12.7 10.2 9.9 28.7 67 67 A G S S+ 0 0 45 2,-0.2 5,-0.1 -7,-0.2 -2,-0.0 0.015 91.5 91.7 83.5 -14.9 12.0 9.3 31.9 68 68 A R S S+ 0 0 142 1,-0.1 -1,-0.1 2,-0.0 -3,-0.1 0.548 74.8 84.3 -83.3 0.8 15.1 11.3 31.0 69 69 A T > - 0 0 22 -9,-0.1 3,-0.7 -5,-0.1 2,-0.2 -0.879 64.0-169.7-105.6 101.0 13.3 14.1 32.6 70 70 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.612 78.6 24.4 -79.8 149.2 13.7 14.3 36.4 71 71 A G T 3 S+ 0 0 76 1,-0.3 2,-0.7 -2,-0.2 3,-0.1 0.649 86.0 153.0 69.0 9.8 11.4 16.7 38.3 72 72 A S < - 0 0 21 -3,-0.7 -1,-0.3 1,-0.2 -10,-0.2 -0.656 38.8-153.0 -75.5 117.2 9.2 16.3 35.2 73 73 A R - 0 0 160 -12,-0.9 -1,-0.2 -2,-0.7 -10,-0.2 0.943 15.1-172.6 -60.9 -45.9 5.8 17.0 36.7 74 74 A N + 0 0 24 -12,-0.9 -11,-0.2 -10,-0.2 3,-0.2 0.963 12.4 171.2 54.9 54.7 4.0 14.9 34.1 75 75 A L S S+ 0 0 114 -13,-0.9 -12,-0.1 1,-0.2 -11,-0.1 0.845 73.9 62.6 -65.8 -27.0 0.5 15.9 35.1 76 76 A d S S- 0 0 30 -13,-0.9 -1,-0.2 2,-0.1 -12,-0.1 0.928 88.0-157.7 -60.1 -45.4 -0.7 14.1 32.0 77 77 A N + 0 0 114 -14,-0.6 -13,-0.1 1,-0.2 -2,-0.1 0.881 48.2 108.2 63.1 49.2 0.6 10.8 33.3 78 78 A I S S- 0 0 106 0, 0.0 -13,-0.6 0, 0.0 -1,-0.2 -0.992 77.4 -85.2-150.0 145.8 0.9 8.9 29.9 79 79 A P B > -c 65 0C 84 0, 0.0 3,-3.2 0, 0.0 -13,-0.1 -0.256 30.5-135.4 -62.3 131.0 3.8 7.7 27.7 80 80 A c T >> S+ 0 0 7 -15,-0.5 3,-2.1 1,-0.3 4,-0.8 0.793 103.0 68.5 -55.1 -31.5 5.0 10.4 25.3 81 81 A S H 3> S+ 0 0 90 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.643 79.9 82.7 -65.0 -10.1 5.2 7.8 22.5 82 82 A A H <4 S+ 0 0 48 -3,-3.2 -1,-0.3 1,-0.2 9,-0.2 0.543 95.2 41.6 -71.3 -7.3 1.4 7.8 22.7 83 83 A L H <4 S+ 0 0 23 -3,-2.1 -2,-0.2 -4,-0.1 -1,-0.2 0.833 99.4 66.5-102.4 -45.2 1.3 11.0 20.6 84 84 A L H < S+ 0 0 45 -4,-0.8 2,-0.1 -30,-0.1 -2,-0.1 0.644 74.7 105.0 -56.0 -21.8 3.9 10.4 17.8 85 85 A S S < S- 0 0 72 -4,-0.7 6,-0.1 1,-0.2 -44,-0.0 -0.463 79.6-126.6 -69.8 137.0 1.9 7.5 16.3 86 86 A S S S+ 0 0 52 -2,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.773 94.9 84.8 -53.8 -29.5 0.2 8.6 13.1 87 87 A D - 0 0 97 1,-0.1 3,-0.2 2,-0.0 4,-0.2 -0.669 62.1-175.1 -79.5 125.3 -3.0 7.4 14.5 88 88 A I + 0 0 37 -2,-0.5 4,-0.4 1,-0.2 -1,-0.1 -0.077 38.4 124.3-112.8 27.9 -4.4 10.2 16.7 89 89 A T S S+ 0 0 86 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.921 91.9 17.0 -56.4 -45.7 -7.4 8.8 18.4 90 90 A A S > S+ 0 0 67 -3,-0.2 3,-2.1 -8,-0.2 4,-0.3 0.737 98.3 95.5-100.8 -21.3 -6.2 9.6 21.9 91 91 A S T 3> S+ 0 0 8 1,-0.3 4,-0.8 -9,-0.2 3,-0.2 0.626 76.9 63.0 -50.9 -24.0 -3.5 12.1 21.4 92 92 A V H 3> S+ 0 0 18 -4,-0.4 4,-1.6 -3,-0.2 -1,-0.3 0.724 77.6 83.1 -80.7 -17.2 -5.7 15.2 21.9 93 93 A N H X> S+ 0 0 88 -3,-2.1 4,-1.4 2,-0.2 3,-0.6 0.924 99.8 36.0 -56.6 -49.2 -6.8 14.7 25.6 94 94 A d H 3> S+ 0 0 31 -4,-0.3 4,-1.5 1,-0.3 3,-0.4 0.954 116.7 54.2 -69.9 -40.1 -3.7 16.2 27.2 95 95 A A H 3< S+ 0 0 21 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.739 105.8 58.0 -63.1 -17.4 -3.5 18.8 24.4 96 96 A K H X< S+ 0 0 43 -4,-1.6 3,-0.7 -3,-0.6 -1,-0.2 0.922 106.7 42.6 -75.8 -47.2 -7.1 19.6 25.2 97 97 A K H >X S+ 0 0 119 -4,-1.4 3,-3.4 -3,-0.4 4,-0.8 0.746 88.6 88.3 -72.9 -27.2 -6.7 20.6 28.9 98 98 A I T 3< S+ 0 0 16 -4,-1.5 5,-0.4 1,-0.3 6,-0.2 0.607 91.4 48.8 -55.2 -16.3 -3.4 22.6 28.5 99 99 A V T X4>S+ 0 0 15 -3,-0.7 3,-0.7 -4,-0.1 5,-0.7 0.612 101.3 64.4 -95.8 -16.0 -5.5 25.7 27.8 100 100 A S T <45S+ 0 0 72 -3,-3.4 -2,-0.2 1,-0.2 -1,-0.1 0.627 79.7 78.5 -82.5 -13.6 -7.8 25.1 30.9 101 101 A D T 3<5S- 0 0 122 -4,-0.8 -1,-0.2 3,-0.1 -3,-0.1 0.495 121.4 -97.6 -74.9 3.8 -5.0 25.6 33.4 102 102 A G T < 5S+ 0 0 61 -3,-0.7 -2,-0.1 0, 0.0 -3,-0.1 0.397 108.9 79.4 93.5 1.7 -5.6 29.3 32.6 103 103 A N T > 5 - 0 0 112 -5,-0.4 3,-1.9 1,-0.2 -4,-0.1 0.599 67.7-169.9-107.3 -17.6 -3.0 30.4 30.0 104 104 A G G > S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.530 108.6 97.8 -60.1 -5.9 -2.7 29.1 23.9 106 106 A N G < S+ 0 0 76 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.621 77.9 62.6 -59.7 -11.6 0.1 30.8 26.0 107 107 A A G < S+ 0 0 50 -3,-1.6 2,-0.7 1,-0.1 -1,-0.3 0.901 96.6 66.0 -72.4 -40.9 1.4 27.3 26.2 108 108 A W < - 0 0 50 -3,-1.3 4,-0.5 -4,-0.2 -1,-0.1 -0.683 65.2-174.8 -90.2 114.9 1.8 27.5 22.4 109 109 A V S >> S+ 0 0 90 -2,-0.7 3,-0.7 2,-0.2 4,-0.6 0.887 76.7 50.9 -77.8 -43.3 4.4 30.1 21.4 110 110 A A H >>>S+ 0 0 20 1,-0.2 4,-3.7 2,-0.2 3,-2.6 0.956 104.3 58.4 -63.9 -46.9 4.2 30.2 17.5 111 111 A W H 345S+ 0 0 49 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.721 99.4 60.2 -54.7 -25.4 0.4 30.7 17.6 112 112 A R H <45S+ 0 0 97 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.719 125.0 16.1 -74.5 -22.5 1.0 33.8 19.6 113 113 A N H <<5S+ 0 0 114 -3,-2.6 -2,-0.2 -4,-0.6 -3,-0.1 0.775 129.8 42.4-118.4 -41.8 3.1 35.3 16.9 114 114 A R T <5S+ 0 0 150 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.1 0.668 132.0 23.1 -81.9 -17.7 2.5 33.4 13.6 115 115 A b S > > + 0 0 115 -2,-0.3 3,-1.0 1,-0.2 4,-0.5 -0.666 44.2 170.4 -92.4 102.1 -6.2 35.7 10.0 120 120 A V H >> S+ 0 0 8 -2,-1.4 3,-1.9 -5,-0.4 4,-1.4 0.863 74.6 70.1 -69.0 -33.7 -6.2 32.2 11.2 121 121 A Q H 34 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.676 93.0 59.1 -59.7 -17.5 -9.7 31.9 9.9 122 122 A A H X4 S+ 0 0 47 -3,-1.0 3,-0.7 1,-0.1 -1,-0.3 0.811 101.8 54.4 -79.1 -30.2 -8.2 32.1 6.5 123 123 A W H << S+ 0 0 93 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.1 0.898 103.9 51.1 -69.6 -43.3 -6.1 29.0 7.2 124 124 A I T >< S+ 0 0 59 -4,-1.4 3,-0.5 -98,-0.1 -1,-0.2 0.406 94.5 106.4 -78.0 2.9 -9.0 26.7 8.2 125 125 A R T < + 0 0 184 -3,-0.7 3,-0.1 -5,-0.2 -3,-0.1 -0.390 53.6 46.4 -85.4 163.3 -10.8 27.6 4.9 126 126 A G T 3 S+ 0 0 49 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.173 85.6 104.9 93.7 -10.1 -11.3 25.6 1.7 127 127 A a < - 0 0 40 -3,-0.5 2,-0.2 -122,-0.0 -1,-0.2 -0.878 68.2-129.9-110.6 129.5 -12.3 22.4 3.4 128 128 A R 0 0 246 -2,-0.5 -118,-0.1 1,-0.2 -3,-0.0 -0.480 360.0 360.0 -72.8 134.6 -15.9 21.1 3.6 129 129 A L 0 0 137 -2,-0.2 -1,-0.2 -116,-0.0 -119,-0.0 0.153 360.0 360.0-172.1 360.0 -16.9 20.2 7.1