==== 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 30-JUL-99 1C91 . COMPND 2 MOLECULE: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PLICATUS; . AUTHOR V.RAO,T.CUI,C.GUAN,P.VAN ROEY . 265 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 1 0 0 1 0 0 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 1 3 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 1 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 6 A K 0 0 113 0, 0.0 2,-0.3 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 151.1 41.4 7.2 43.3 2 7 A Q + 0 0 177 256,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.920 360.0 63.9-148.7 121.4 45.0 6.2 43.6 3 8 A G S S- 0 0 47 -2,-0.3 255,-0.1 231,-0.1 3,-0.1 -0.930 80.0 -22.2 158.6-175.7 47.9 8.1 45.2 4 9 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 231,-0.3 -0.036 67.9 -97.6 -56.6 156.1 49.2 9.4 48.6 5 10 A T E -a 235 0A 35 229,-3.1 231,-2.7 199,-0.2 2,-0.4 -0.675 39.4-145.4 -78.2 123.8 46.9 10.2 51.6 6 11 A S E -a 236 0A 1 -2,-0.5 29,-2.5 229,-0.2 28,-2.0 -0.809 14.5-168.3 -98.7 134.9 46.1 14.0 51.6 7 12 A V E -ab 237 35A 0 229,-2.4 231,-2.4 -2,-0.4 2,-0.4 -0.941 5.2-166.5-123.5 141.2 45.7 15.8 54.9 8 13 A A E -ab 238 36A 0 27,-2.3 29,-3.0 -2,-0.4 2,-0.4 -0.995 6.6-156.2-131.2 122.8 44.3 19.3 55.6 9 14 A Y E - b 0 37A 5 229,-1.8 232,-2.1 -2,-0.4 2,-0.5 -0.813 10.1-161.4 -93.6 144.1 44.7 21.2 58.8 10 15 A V E - b 0 38A 0 27,-2.4 29,-2.2 -2,-0.4 2,-1.4 -0.994 17.6-139.1-129.0 120.2 42.1 23.9 59.5 11 16 A E E >> - b 0 39A 59 -2,-0.5 4,-2.6 230,-0.3 3,-1.7 -0.708 19.4-163.7 -78.8 95.2 42.7 26.6 62.0 12 17 A V T 34 S+ 0 0 11 -2,-1.4 -1,-0.2 27,-1.1 28,-0.1 0.490 77.8 77.9 -61.0 -6.4 39.2 26.5 63.4 13 18 A N T 34 S+ 0 0 81 26,-0.5 -1,-0.3 1,-0.1 27,-0.1 0.894 119.9 7.4 -66.3 -40.1 39.7 29.9 65.1 14 19 A N T <4 S+ 0 0 119 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.625 124.1 59.0-114.9 -23.7 39.2 31.5 61.7 15 20 A N S < S- 0 0 36 -4,-2.6 2,-0.4 227,-0.1 227,-0.1 -0.804 70.5-114.7-121.4 160.5 38.1 28.8 59.3 16 21 A S > - 0 0 44 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.701 14.5-140.4 -90.4 136.9 35.4 26.2 58.7 17 22 A M G > S+ 0 0 1 -2,-0.4 3,-1.5 1,-0.3 4,-0.4 0.823 98.0 72.0 -60.5 -30.9 36.1 22.5 58.7 18 23 A L G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.754 76.7 76.4 -61.1 -25.0 33.7 22.1 55.8 19 24 A N G X S+ 0 0 15 -3,-1.3 3,-1.3 1,-0.3 4,-0.4 0.848 86.6 63.5 -55.3 -32.9 36.1 23.8 53.3 20 25 A V G X S+ 0 0 0 -3,-1.5 3,-0.7 -4,-0.3 13,-0.3 0.858 102.4 48.0 -60.6 -36.6 38.0 20.5 53.3 21 26 A G G < S+ 0 0 7 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.490 91.7 80.5 -84.4 -3.3 35.1 18.6 51.8 22 27 A K G < S+ 0 0 55 -3,-1.3 243,-2.0 -4,-0.5 2,-0.5 0.660 80.8 79.6 -73.1 -20.6 34.5 21.3 49.1 23 28 A Y E < +K 264 0B 1 -3,-0.7 9,-2.1 -4,-0.4 10,-0.5 -0.817 53.5 157.0 -99.3 124.8 37.3 19.8 47.0 24 29 A T E -KL 263 31B 29 239,-2.2 239,-2.6 -2,-0.5 2,-0.4 -0.856 45.5 -89.2-133.6 170.4 36.9 16.7 44.8 25 30 A L E > -K 262 0B 6 5,-2.8 4,-1.9 -2,-0.3 237,-0.2 -0.695 22.2-142.8 -87.0 133.7 38.7 15.3 41.7 26 31 A A T 4 S+ 0 0 44 235,-2.6 2,-0.8 -2,-0.4 -1,-0.2 0.908 98.2 51.2 -56.1 -44.4 37.4 16.4 38.3 27 32 A D T 4 S- 0 0 133 234,-0.5 3,-0.3 1,-0.2 -1,-0.2 -0.871 131.2 -0.2 -99.2 107.2 38.0 12.9 37.1 28 33 A G T 4 S- 0 0 75 -2,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.079 90.2-114.5 108.9 -27.2 36.4 10.4 39.5 29 34 A G < + 0 0 45 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.586 63.0 153.7 71.4 9.0 34.9 12.6 42.1 30 35 A G - 0 0 22 -3,-0.3 -5,-2.8 1,-0.1 2,-0.2 -0.208 54.0 -86.5 -65.1 162.7 37.3 11.3 44.7 31 36 A N B -L 24 0B 25 -7,-0.2 -7,-0.3 1,-0.1 -1,-0.1 -0.518 22.1-151.5 -72.4 136.9 38.1 13.5 47.7 32 37 A A S S+ 0 0 0 -9,-2.1 2,-0.4 -12,-0.2 -8,-0.2 0.785 91.6 44.5 -76.3 -26.0 41.0 15.9 47.2 33 38 A F - 0 0 0 -10,-0.5 -1,-0.2 -13,-0.3 -26,-0.2 -0.980 59.1-179.7-124.3 128.0 41.5 15.6 51.0 34 39 A D S S+ 0 0 37 -28,-2.0 46,-2.6 -2,-0.4 2,-0.4 0.745 74.6 36.0 -92.0 -32.8 41.4 12.3 52.9 35 40 A V E -bc 7 80A 2 -29,-2.5 -27,-2.3 44,-0.2 2,-0.4 -0.981 63.0-163.3-128.1 139.5 42.1 13.5 56.4 36 41 A A E -bc 8 81A 0 44,-3.1 46,-3.0 -2,-0.4 2,-0.5 -0.981 10.4-154.5-119.9 132.2 40.9 16.8 58.0 37 42 A V E -bc 9 82A 0 -29,-3.0 -27,-2.4 -2,-0.4 2,-0.7 -0.934 10.6-140.7-117.5 119.0 42.6 18.0 61.2 38 43 A I E -bc 10 83A 0 44,-3.5 46,-3.0 -2,-0.5 2,-0.6 -0.664 31.3-127.7 -73.4 110.4 40.8 20.2 63.7 39 44 A F E +b 11 0A 36 -29,-2.2 -27,-1.1 -2,-0.7 -26,-0.5 -0.877 64.9 0.9-110.2 108.1 43.5 22.7 64.8 40 45 A A E + 0 0 9 -2,-0.6 17,-0.4 44,-0.4 -1,-0.2 0.632 36.6 159.1-161.8 154.9 43.5 22.6 67.8 41 46 A A E - c 0 85A 0 43,-3.5 45,-2.6 -3,-0.4 2,-0.3 -0.332 47.4-122.6 -80.4 179.8 42.4 21.5 71.3 42 47 A N E -Dc 55 86A 11 13,-3.4 13,-2.4 43,-0.2 2,-0.7 -0.868 12.5-135.0-133.8 159.8 45.0 22.1 74.1 43 48 A I E -Dc 54 87A 1 43,-1.7 45,-0.8 -2,-0.3 47,-0.3 -0.963 41.1-175.9-106.3 103.9 47.0 20.5 76.9 44 49 A N E -D 53 0A 8 9,-3.1 9,-2.0 -2,-0.7 2,-0.5 -0.587 17.4-131.5 -97.5 169.8 46.4 22.9 79.8 45 50 A Y E -D 52 0A 26 7,-0.3 2,-0.9 -2,-0.2 7,-0.3 -0.959 2.3-152.0-132.0 120.7 47.9 22.9 83.2 46 51 A D E >> -D 51 0A 68 5,-3.0 5,-1.5 -2,-0.5 4,-1.1 -0.769 9.9-167.5 -85.7 106.6 46.2 23.2 86.6 47 52 A T T 45S+ 0 0 76 -2,-0.9 -1,-0.2 3,-0.2 5,-0.1 0.905 82.7 57.3 -62.1 -39.1 48.8 24.7 88.8 48 53 A G T 45S+ 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.926 120.4 24.5 -57.8 -55.6 46.7 23.9 91.9 49 54 A T T 45S- 0 0 89 2,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.450 103.2-128.0 -89.2 -3.0 46.4 20.2 91.5 50 55 A K T <5 + 0 0 147 -4,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.917 65.3 133.3 52.4 50.2 49.6 20.1 89.4 51 56 A T E < -D 46 0A 76 -5,-1.5 -5,-3.0 46,-0.0 -1,-0.2 -0.993 53.7-136.9-136.4 129.9 47.7 18.2 86.7 52 57 A A E -D 45 0A 16 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.3 -0.488 29.0-178.1 -77.9 152.7 47.5 18.7 82.9 53 58 A Y E -D 44 0A 80 -9,-2.0 -9,-3.1 -2,-0.1 2,-0.2 -0.992 31.5 -96.8-153.4 152.8 44.0 18.5 81.3 54 59 A L E -D 43 0A 24 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.519 42.5-173.7 -73.5 138.1 42.4 18.7 77.9 55 60 A H E -D 42 0A 70 -13,-2.4 -13,-3.4 -2,-0.2 2,-0.4 -0.992 15.4-160.2-137.1 141.7 41.0 22.0 77.0 56 61 A F - 0 0 29 -2,-0.4 -15,-0.1 -15,-0.2 2,-0.1 -0.980 17.6-139.1-119.5 131.1 39.0 23.3 74.0 57 62 A N > - 0 0 40 -2,-0.4 4,-3.4 -17,-0.4 5,-0.3 -0.277 40.5 -86.0 -78.8 177.4 38.8 27.1 73.2 58 63 A E H > S+ 0 0 148 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.881 129.1 44.2 -49.3 -48.4 35.6 28.7 72.2 59 64 A N H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 115.9 45.5 -66.9 -45.1 36.0 27.9 68.5 60 65 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 114.7 48.5 -64.0 -49.3 37.1 24.3 69.1 61 66 A Q H X S+ 0 0 64 -4,-3.4 4,-2.9 1,-0.2 5,-0.2 0.947 110.2 54.4 -54.0 -49.8 34.3 23.8 71.6 62 67 A R H X S+ 0 0 119 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.859 109.9 42.8 -55.2 -44.4 31.9 25.3 69.1 63 68 A V H < S+ 0 0 14 -4,-2.0 7,-0.3 2,-0.2 8,-0.3 0.868 114.8 51.9 -74.2 -28.6 32.7 23.0 66.1 64 69 A L H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.891 108.0 51.2 -71.3 -38.9 32.7 19.9 68.5 65 70 A D H 3< S+ 0 0 98 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.876 113.2 47.5 -64.8 -34.7 29.3 20.9 69.8 66 71 A N T >X + 0 0 68 -4,-1.5 4,-3.0 -5,-0.2 3,-1.8 -0.204 67.3 137.9-102.4 43.3 28.2 21.1 66.2 67 72 A A H <>> + 0 0 23 -3,-1.2 5,-3.0 1,-0.3 4,-1.5 0.881 67.2 64.0 -53.3 -39.9 29.6 17.8 65.0 68 73 A V H 345S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.721 119.1 22.7 -60.5 -23.0 26.4 17.2 63.1 69 74 A T H <45S+ 0 0 76 -3,-1.8 -1,-0.2 -6,-0.2 -2,-0.2 0.658 132.7 36.5-114.8 -24.2 27.0 20.2 60.8 70 75 A Q H <5S+ 0 0 50 -4,-3.0 -3,-0.2 -7,-0.3 -2,-0.2 0.806 132.2 11.8 -99.5 -38.8 30.8 20.7 61.1 71 76 A I T >X5S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.4 3,-1.1 0.827 115.7 63.6-105.9 -54.6 32.3 17.2 61.3 72 77 A R H 3> S+ 0 0 30 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.878 109.3 54.2 -60.6 -32.7 29.0 15.7 56.8 74 79 A L H <4>S+ 0 0 0 -3,-1.1 5,-2.0 1,-0.2 -2,-0.2 0.918 112.0 45.6 -64.4 -39.5 32.8 15.6 56.2 75 80 A Q H ><5S+ 0 0 54 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.824 104.3 59.5 -72.8 -36.0 32.8 12.0 57.5 76 81 A Q H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.5 53.7 -62.0 -33.0 29.7 11.0 55.5 77 82 A Q T 3<5S- 0 0 77 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.437 127.7 -99.6 -84.7 5.5 31.8 11.9 52.4 78 83 A G T < 5S+ 0 0 42 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.612 78.0 134.3 91.8 14.0 34.6 9.7 53.5 79 84 A I < - 0 0 1 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.798 51.3-133.0 -96.8 135.8 37.0 12.2 55.0 80 85 A K E -c 35 0A 94 -46,-2.6 -44,-3.1 -2,-0.4 2,-0.5 -0.746 17.5-147.1 -86.2 135.1 38.5 11.2 58.4 81 86 A V E -c 36 0A 0 -2,-0.4 39,-2.9 -46,-0.2 40,-0.8 -0.932 15.7-173.6-112.1 123.3 38.4 14.0 61.0 82 87 A L E -ce 37 121A 0 -46,-3.0 -44,-3.5 -2,-0.5 2,-0.6 -0.797 20.8-135.7-110.8 150.9 41.1 14.3 63.6 83 88 A L E -ce 38 122A 0 38,-2.0 40,-2.6 -2,-0.3 2,-0.3 -0.937 21.8-146.1-106.6 119.0 41.4 16.6 66.7 84 89 A S E - e 0 123A 0 -46,-3.0 -43,-3.5 -2,-0.6 2,-0.5 -0.659 6.9-151.0 -83.3 144.7 44.8 18.1 67.0 85 90 A V E -ce 41 124A 0 38,-2.5 40,-2.7 -2,-0.3 2,-0.3 -0.985 19.3-178.7-121.0 123.9 46.1 18.7 70.5 86 91 A L E -ce 42 125A 16 -45,-2.6 -43,-1.7 -2,-0.5 40,-0.2 -0.851 31.1-100.5-123.1 155.8 48.6 21.6 71.0 87 92 A G E -c 43 0A 1 40,-1.6 42,-0.2 38,-0.7 -43,-0.1 -0.370 27.0-159.0 -68.7 155.1 50.6 23.1 73.9 88 93 A N - 0 0 46 -45,-0.8 41,-0.2 4,-0.5 40,-0.1 0.026 45.2 -93.3-131.7 32.0 49.1 26.3 75.4 89 94 A H S S+ 0 0 83 39,-2.7 40,-0.2 38,-0.1 41,-0.1 0.645 94.4 111.0 70.8 19.6 51.8 28.2 77.2 90 95 A Q S S- 0 0 45 -47,-0.3 40,-0.2 2,-0.3 39,-0.1 0.217 89.3-106.1-111.3 14.6 51.2 26.6 80.6 91 96 A G S S+ 0 0 0 38,-1.7 41,-0.7 37,-0.2 2,-0.4 0.058 87.5 108.3 89.1 -28.2 54.3 24.5 81.1 92 97 A A + 0 0 2 -49,-0.2 -4,-0.5 39,-0.1 -2,-0.3 -0.737 39.5 157.9 -88.0 132.4 52.6 21.2 80.5 93 98 A G > - 0 0 0 -2,-0.4 3,-1.1 -6,-0.1 -41,-0.1 -0.821 56.8 -90.5-140.1 179.5 53.4 19.4 77.2 94 99 A F T 3 S+ 0 0 0 -2,-0.3 3,-0.2 1,-0.2 53,-0.2 0.582 120.8 53.8 -72.7 -10.3 53.2 15.8 75.9 95 100 A A T 3 S+ 0 0 0 48,-0.2 45,-2.8 1,-0.1 48,-0.4 0.406 99.4 59.1-105.7 2.8 56.8 15.1 77.0 96 101 A N < + 0 0 16 -3,-1.1 41,-0.3 43,-0.3 -1,-0.1 0.128 57.5 139.2-122.4 27.6 56.6 16.1 80.8 97 102 A F - 0 0 11 -3,-0.2 45,-0.2 1,-0.1 46,-0.1 -0.530 51.5-136.8 -67.5 133.6 54.0 13.9 82.5 98 103 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.817 74.7 3.8 -61.5 -30.3 55.4 12.9 85.8 99 104 A S S > S- 0 0 46 1,-0.1 4,-2.1 44,-0.0 5,-0.2 -0.879 70.7-103.5-149.3 175.7 54.2 9.3 85.5 100 105 A Q H > S+ 0 0 85 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.929 121.5 53.9 -68.3 -44.9 52.5 6.5 83.5 101 106 A Q H > S+ 0 0 152 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.851 109.1 47.9 -57.0 -41.5 49.4 7.0 85.6 102 107 A A H > S+ 0 0 31 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.938 112.2 47.2 -67.4 -48.1 49.4 10.8 84.8 103 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 110.4 54.8 -61.2 -40.5 49.8 10.4 81.0 104 109 A S H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 103.1 53.8 -59.8 -45.3 47.2 7.7 80.9 105 110 A A H X S+ 0 0 58 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.907 112.2 45.5 -58.3 -38.9 44.5 9.9 82.6 106 111 A F H X S+ 0 0 3 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.881 109.6 54.7 -71.2 -39.7 45.2 12.5 79.9 107 112 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.875 106.5 52.8 -60.3 -36.4 45.1 9.8 77.2 108 113 A K H X S+ 0 0 115 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.848 104.7 53.6 -68.2 -35.5 41.7 8.9 78.6 109 114 A Q H X S+ 0 0 78 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.926 110.6 49.2 -63.2 -40.1 40.4 12.4 78.3 110 115 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.963 113.2 43.3 -61.6 -56.3 41.5 12.3 74.6 111 116 A S H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.834 113.1 53.8 -61.9 -31.6 39.8 9.0 73.8 112 117 A D H X S+ 0 0 81 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.884 110.6 46.4 -69.4 -40.6 36.7 10.2 75.7 113 118 A A H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 6,-0.3 0.933 113.0 49.1 -67.0 -45.8 36.6 13.4 73.6 114 119 A V H X>S+ 0 0 2 -4,-2.8 5,-2.1 2,-0.2 4,-0.7 0.916 117.0 42.2 -58.3 -44.1 37.1 11.4 70.4 115 120 A A H ><5S+ 0 0 68 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.972 114.1 51.6 -67.6 -51.3 34.3 9.0 71.5 116 121 A K H 3<5S+ 0 0 156 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.819 119.6 34.1 -56.7 -36.4 32.1 11.8 72.7 117 122 A Y H 3<5S- 0 0 33 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.395 108.1-116.7-103.4 5.7 32.3 13.8 69.5 118 123 A G T <<5 + 0 0 34 -3,-1.2 -3,-0.2 -4,-0.7 -37,-0.2 0.811 55.8 162.6 66.2 32.3 32.6 10.9 67.0 119 124 A L < - 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