==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-99 1C8Y . 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) . 10965.0 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 . 42 15.8 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 . 6 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 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 2 2 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 97 0, 0.0 2,-0.4 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 134.5 41.3 7.4 43.6 2 7 A Q + 0 0 174 256,-0.2 0, 0.0 255,-0.0 0, 0.0 -0.998 360.0 69.5-137.4 128.5 44.9 6.1 44.0 3 8 A G S S- 0 0 46 -2,-0.4 255,-0.1 231,-0.1 3,-0.1 -0.853 79.0 -22.3 154.3 179.0 47.8 8.0 45.6 4 9 A P S S- 0 0 15 0, 0.0 2,-0.5 0, 0.0 231,-0.3 0.001 70.4 -95.7 -51.0 150.8 49.2 9.4 48.9 5 10 A T E -a 235 0A 32 229,-3.8 231,-2.6 199,-0.3 2,-0.4 -0.608 40.2-144.2 -73.3 121.9 47.0 10.2 51.8 6 11 A S E -a 236 0A 0 -2,-0.5 28,-2.3 229,-0.2 29,-2.1 -0.766 16.9-170.3 -93.2 131.7 46.0 13.9 51.8 7 12 A V E -ab 237 35A 0 229,-2.5 231,-2.6 -2,-0.4 2,-0.4 -0.963 6.1-167.0-126.7 138.4 45.7 15.7 55.1 8 13 A A E -ab 238 36A 0 27,-2.5 29,-2.6 -2,-0.4 2,-0.4 -0.992 7.1-155.4-128.4 124.2 44.4 19.2 55.7 9 14 A Y E - b 0 37A 6 229,-2.1 232,-2.1 -2,-0.4 2,-0.5 -0.836 9.9-162.2 -95.6 139.5 44.7 21.2 59.0 10 15 A V E - b 0 38A 0 27,-2.6 29,-2.5 -2,-0.4 2,-1.4 -0.992 17.7-139.6-125.4 121.9 42.1 23.9 59.7 11 16 A E E >> - b 0 39A 56 -2,-0.5 4,-2.0 230,-0.3 3,-1.7 -0.727 19.4-164.6 -80.4 95.6 42.8 26.6 62.3 12 17 A V T 34 S+ 0 0 15 27,-1.6 -1,-0.2 -2,-1.4 28,-0.1 0.513 77.4 78.3 -64.8 -5.7 39.3 26.5 63.7 13 18 A N T 34 S+ 0 0 80 26,-0.5 -1,-0.3 1,-0.1 27,-0.1 0.879 119.8 7.5 -67.3 -34.8 39.9 29.8 65.4 14 19 A N T <4 S+ 0 0 117 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.509 123.7 57.5-124.0 -12.4 39.3 31.5 62.0 15 20 A N S < S- 0 0 38 -4,-2.0 2,-0.3 227,-0.1 227,-0.1 -0.903 70.8-113.4-131.9 157.9 38.1 28.8 59.6 16 21 A S > - 0 0 43 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 -0.664 13.9-141.8 -87.0 139.1 35.4 26.2 59.0 17 22 A M G > S+ 0 0 2 -2,-0.3 3,-1.6 1,-0.2 4,-0.4 0.819 97.6 72.6 -64.8 -32.8 36.2 22.5 58.9 18 23 A L G >> S+ 0 0 45 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.736 77.5 75.7 -56.5 -25.1 33.7 22.1 56.1 19 24 A N G X4 S+ 0 0 16 -3,-1.1 3,-1.1 1,-0.3 4,-0.4 0.853 87.2 62.1 -57.7 -32.5 36.1 23.8 53.6 20 25 A V G X4 S+ 0 0 0 -3,-1.6 3,-0.7 -4,-0.3 13,-0.3 0.827 101.0 52.4 -63.4 -32.3 38.1 20.6 53.5 21 26 A G G <4 S+ 0 0 8 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.630 90.9 78.2 -80.1 -12.8 35.0 18.8 52.1 22 27 A K G << S+ 0 0 55 -3,-1.1 243,-1.9 -4,-0.7 2,-0.5 0.691 80.4 77.8 -67.6 -23.7 34.6 21.3 49.3 23 28 A Y E < +K 264 0B 0 -3,-0.7 9,-2.4 -4,-0.4 10,-0.5 -0.814 51.8 155.9-100.1 125.9 37.4 19.8 47.1 24 29 A T E -KL 263 31B 28 239,-1.8 239,-2.4 -2,-0.5 2,-0.3 -0.844 47.2 -88.4-132.7 170.3 37.0 16.7 45.0 25 30 A L E > -K 262 0B 6 5,-3.0 4,-1.7 -2,-0.3 237,-0.2 -0.658 22.0-142.7 -85.9 139.3 38.8 15.4 41.9 26 31 A A T 4 S+ 0 0 44 235,-2.8 2,-0.9 -2,-0.3 -1,-0.1 0.889 98.6 53.3 -63.8 -40.1 37.4 16.4 38.5 27 32 A D T 4 S+ 0 0 127 234,-0.5 -1,-0.2 1,-0.1 3,-0.2 -0.849 130.6 0.8 -99.2 97.7 38.2 13.0 37.3 28 33 A G T 4 S- 0 0 75 -2,-0.9 -2,-0.2 1,-0.1 -1,-0.1 -0.050 89.8-116.1 121.2 -34.8 36.6 10.5 39.7 29 34 A G < + 0 0 47 -4,-1.7 -1,-0.1 1,-0.2 -3,-0.1 0.531 64.6 146.7 78.6 6.7 34.9 12.7 42.2 30 35 A G - 0 0 24 -3,-0.2 -5,-3.0 1,-0.1 -1,-0.2 -0.298 56.9 -84.4 -72.2 161.9 37.1 11.5 45.0 31 36 A N B -L 24 0B 23 -7,-0.3 -7,-0.3 46,-0.2 -1,-0.1 -0.389 20.7-149.3 -69.1 139.5 38.1 13.7 47.9 32 37 A A S S+ 0 0 0 -9,-2.4 2,-0.4 -12,-0.2 -8,-0.1 0.773 92.4 43.3 -76.5 -26.5 41.1 16.0 47.5 33 38 A F - 0 0 0 -10,-0.5 -26,-0.2 -13,-0.3 -1,-0.2 -0.977 59.3-176.1-123.1 134.9 41.6 15.6 51.3 34 39 A D S S+ 0 0 38 -28,-2.3 46,-3.0 -2,-0.4 2,-0.4 0.745 75.8 35.9 -97.4 -27.8 41.4 12.3 53.1 35 40 A V E -bc 7 80A 4 -29,-2.1 -27,-2.5 44,-0.2 2,-0.4 -0.978 63.0-161.4-132.0 138.6 41.9 13.6 56.6 36 41 A A E -bc 8 81A 0 44,-3.5 46,-2.9 -2,-0.4 2,-0.5 -0.963 11.2-154.1-117.8 134.0 40.8 16.9 58.3 37 42 A V E -bc 9 82A 0 -29,-2.6 -27,-2.6 -2,-0.4 2,-0.8 -0.949 10.2-141.8-117.9 120.3 42.6 18.1 61.5 38 43 A I E -bc 10 83A 0 44,-3.1 46,-2.7 -2,-0.5 2,-0.6 -0.704 31.2-129.6 -75.6 109.3 40.9 20.4 64.0 39 44 A F E +b 11 0A 37 -29,-2.5 -27,-1.6 -2,-0.8 -26,-0.5 -0.924 64.4 2.9-109.9 113.9 43.6 22.7 65.1 40 45 A A E + 0 0 9 -2,-0.6 17,-0.4 44,-0.3 -1,-0.2 0.583 40.2 151.7-160.7 145.8 43.7 22.8 68.0 41 46 A A E - c 0 85A 0 43,-2.9 45,-2.6 -3,-0.4 2,-0.3 -0.285 47.7-138.1 -81.3 179.7 42.5 21.6 71.5 42 47 A N E -Dc 55 86A 12 13,-3.3 13,-2.7 43,-0.2 2,-0.7 -0.923 17.9-114.9-151.2 169.4 45.2 21.8 74.2 43 48 A I E -Dc 54 87A 1 43,-1.9 45,-0.7 -2,-0.3 47,-0.4 -0.922 40.6-175.2 -97.9 110.2 47.0 20.6 77.2 44 49 A N E -D 53 0A 8 9,-3.5 9,-2.1 -2,-0.7 2,-0.4 -0.593 16.0-133.8-100.0 169.7 46.4 22.9 80.1 45 50 A Y E -D 52 0A 27 7,-0.3 2,-0.9 -2,-0.2 7,-0.2 -0.990 1.3-151.9-131.5 125.4 47.9 22.8 83.6 46 51 A D E >> -D 51 0A 63 5,-2.5 4,-1.7 -2,-0.4 5,-1.4 -0.848 9.2-169.0 -95.4 103.2 46.1 23.2 87.0 47 52 A T T 45S+ 0 0 74 -2,-0.9 -1,-0.2 3,-0.2 5,-0.1 0.877 83.0 57.6 -59.2 -37.2 48.8 24.6 89.2 48 53 A G T 45S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.945 120.8 23.4 -59.9 -58.4 46.5 24.0 92.2 49 54 A T T 45S- 0 0 88 2,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.565 103.4-129.2 -85.2 -8.2 46.1 20.2 91.8 50 55 A K T <5 + 0 0 144 -4,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.862 64.5 134.2 59.1 41.3 49.4 20.1 89.8 51 56 A T E < -D 46 0A 77 -5,-1.4 -5,-2.5 46,-0.0 -1,-0.2 -0.966 53.1-136.5-127.8 130.3 47.5 18.2 87.1 52 57 A A E +D 45 0A 16 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.3 -0.391 30.6 178.2 -74.1 159.4 47.5 18.7 83.3 53 58 A Y E -D 44 0A 83 -9,-2.1 -9,-3.5 -2,-0.1 2,-0.4 -0.981 33.3 -93.7-160.6 158.2 44.1 18.5 81.6 54 59 A L E -D 43 0A 26 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.656 41.3-173.8 -79.7 129.2 42.5 18.7 78.2 55 60 A H E -D 42 0A 61 -13,-2.7 -13,-3.3 -2,-0.4 2,-0.5 -0.944 14.2-160.7-126.8 142.3 41.1 22.2 77.3 56 61 A F - 0 0 32 -2,-0.4 -15,-0.1 -15,-0.2 -2,-0.0 -0.992 19.2-137.4-119.1 124.6 39.1 23.4 74.3 57 62 A N > - 0 0 32 -2,-0.5 4,-3.1 -17,-0.4 5,-0.3 -0.260 39.9 -90.3 -70.5 174.3 39.0 27.1 73.5 58 63 A E H > S+ 0 0 159 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.848 128.1 50.1 -56.7 -35.9 35.7 28.6 72.6 59 64 A N H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 112.9 44.7 -69.2 -47.4 36.2 27.9 68.9 60 65 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.944 114.9 49.7 -62.5 -45.7 37.2 24.3 69.4 61 66 A Q H X S+ 0 0 59 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.906 107.6 54.8 -59.4 -43.7 34.3 23.8 71.8 62 67 A R H X S+ 0 0 163 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.907 110.3 44.8 -57.6 -44.7 31.9 25.4 69.3 63 68 A V H < S+ 0 0 10 -4,-2.0 7,-0.3 2,-0.2 -1,-0.2 0.864 114.6 49.0 -70.4 -33.3 32.9 23.0 66.5 64 69 A L H >< S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.907 110.0 51.0 -70.8 -42.5 32.7 19.9 68.8 65 70 A D H 3< S+ 0 0 95 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.795 114.8 45.3 -64.4 -28.1 29.3 21.0 70.1 66 71 A N T >X S+ 0 0 39 -4,-1.2 4,-3.1 -5,-0.2 3,-1.8 -0.127 70.3 137.2-108.1 36.1 28.2 21.3 66.5 67 72 A A H <>> + 0 0 20 -3,-1.4 5,-3.6 1,-0.3 4,-2.4 0.854 66.0 63.1 -50.1 -37.1 29.7 18.0 65.3 68 73 A V H 345S+ 0 0 92 -3,-0.3 -1,-0.3 3,-0.2 -2,-0.1 0.739 118.6 23.9 -63.7 -25.6 26.6 17.2 63.3 69 74 A T H <45S+ 0 0 74 -3,-1.8 -2,-0.2 -6,-0.2 -1,-0.2 0.739 133.4 36.3-108.3 -29.9 27.0 20.2 61.1 70 75 A Q H <5S+ 0 0 56 -4,-3.1 -3,-0.2 -7,-0.3 -2,-0.2 0.701 133.6 13.0 -97.3 -26.1 30.8 20.8 61.3 71 76 A I T >X5S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.5 3,-0.9 0.736 114.5 62.9-117.6 -52.8 32.2 17.3 61.6 72 77 A R H 3> S+ 0 0 41 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.896 107.2 51.0 -59.7 -35.2 29.2 15.9 57.1 74 79 A L H <4>S+ 0 0 1 -3,-0.9 5,-2.2 1,-0.2 3,-0.2 0.942 113.1 45.8 -64.2 -44.3 33.0 15.5 56.5 75 80 A Q H ><5S+ 0 0 54 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.878 105.5 60.4 -64.8 -41.3 32.9 12.0 57.8 76 81 A Q H 3<5S+ 0 0 130 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.877 105.2 50.2 -53.2 -42.0 29.8 11.2 55.7 77 82 A Q T 3<5S- 0 0 76 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.403 128.1 -96.8 -83.4 7.0 31.8 11.9 52.6 78 83 A G T < 5S+ 0 0 47 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.653 79.7 133.8 91.1 16.8 34.7 9.7 53.7 79 84 A I < - 0 0 2 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.860 50.9-133.5-101.7 132.4 37.0 12.2 55.2 80 85 A K E -c 35 0A 101 -46,-3.0 -44,-3.5 -2,-0.5 2,-0.5 -0.687 16.6-149.2 -82.4 138.0 38.6 11.3 58.6 81 86 A V E -c 36 0A 0 -2,-0.3 39,-2.7 -46,-0.2 40,-0.8 -0.949 14.9-175.2-116.9 126.9 38.5 14.0 61.3 82 87 A L E -ce 37 121A 0 -46,-2.9 -44,-3.1 -2,-0.5 2,-0.6 -0.857 22.7-132.3-116.8 150.8 41.2 14.3 64.0 83 88 A L E -ce 38 122A 0 38,-2.4 40,-2.4 -2,-0.3 2,-0.2 -0.906 22.0-148.3-103.6 115.9 41.5 16.5 67.0 84 89 A S E - e 0 123A 0 -46,-2.7 -43,-2.9 -2,-0.6 2,-0.4 -0.606 7.3-153.8 -80.6 148.3 44.9 18.1 67.2 85 90 A V E -ce 41 124A 0 38,-2.1 40,-2.6 -2,-0.2 2,-0.3 -0.988 17.2-179.5-127.8 122.5 46.2 18.8 70.7 86 91 A L E -ce 42 125A 22 -45,-2.6 -43,-1.9 -2,-0.4 40,-0.2 -0.768 33.1 -93.3-121.9 160.0 48.8 21.6 71.2 87 92 A G E -c 43 0A 2 40,-1.9 42,-0.3 38,-0.7 -43,-0.1 -0.320 27.5-156.4 -67.5 155.7 50.7 23.1 74.1 88 93 A N - 0 0 41 -45,-0.7 41,-0.2 4,-0.5 -43,-0.1 -0.056 43.4 -99.9-131.5 34.8 49.1 26.2 75.8 89 94 A H S S+ 0 0 87 39,-3.2 40,-0.2 1,-0.1 41,-0.1 0.668 93.5 110.9 59.7 23.6 52.0 28.1 77.5 90 95 A Q S S- 0 0 45 -47,-0.4 40,-0.2 2,-0.3 -1,-0.1 0.277 89.1-106.0-112.0 11.0 51.2 26.6 80.9 91 96 A G S S+ 0 0 0 38,-2.4 41,-0.6 1,-0.2 2,-0.4 0.040 87.9 106.8 93.9 -32.8 54.1 24.3 81.6 92 97 A A + 0 0 3 -49,-0.2 -4,-0.5 39,-0.1 -2,-0.3 -0.738 42.2 158.6 -84.4 131.0 52.4 21.0 81.0 93 98 A G > - 0 0 0 -2,-0.4 3,-1.5 -6,-0.1 4,-0.1 -0.902 56.8 -94.5-142.6 171.0 53.3 19.2 77.7 94 99 A F T 3 S+ 0 0 0 -2,-0.3 3,-0.3 1,-0.2 53,-0.2 0.707 120.9 52.9 -62.5 -20.6 53.1 15.7 76.3 95 100 A A T 3 S+ 0 0 0 1,-0.2 45,-3.1 48,-0.2 48,-0.4 0.388 102.3 55.0 -98.5 3.2 56.8 15.1 77.4 96 101 A N < + 0 0 14 -3,-1.5 41,-0.3 43,-0.3 -1,-0.2 0.072 59.3 137.7-127.3 27.5 56.6 16.1 81.1 97 102 A F - 0 0 10 -3,-0.3 46,-0.2 1,-0.1 45,-0.2 -0.566 53.0-135.7 -67.9 134.6 53.9 14.0 82.7 98 103 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.748 72.1 1.6 -67.3 -21.1 55.4 12.9 86.1 99 104 A S S > S- 0 0 45 1,-0.1 4,-2.3 44,-0.0 5,-0.2 -0.962 74.0 -95.8-157.0 175.3 54.3 9.2 85.9 100 105 A Q H > S+ 0 0 93 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.911 121.4 51.4 -63.5 -45.5 52.5 6.5 84.0 101 106 A Q H > S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 109.4 49.1 -61.5 -42.1 49.3 7.1 85.9 102 107 A A H > S+ 0 0 31 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.939 112.6 46.5 -64.0 -48.9 49.3 10.8 85.2 103 108 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.930 111.9 53.2 -60.1 -43.3 49.9 10.3 81.4 104 109 A S H X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.857 103.1 55.1 -61.0 -39.2 47.2 7.7 81.4 105 110 A A H X S+ 0 0 58 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.920 110.3 47.3 -62.0 -38.8 44.6 10.0 83.0 106 111 A F H X S+ 0 0 3 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.837 107.4 55.8 -69.6 -37.1 45.2 12.5 80.2 107 112 A A H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.883 105.5 53.6 -62.5 -35.9 44.9 9.8 77.5 108 113 A K H X S+ 0 0 117 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.868 105.2 52.4 -66.5 -37.8 41.5 9.0 78.9 109 114 A Q H X S+ 0 0 80 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.917 112.9 46.9 -62.8 -39.5 40.4 12.6 78.6 110 115 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.976 114.8 43.1 -65.7 -55.2 41.6 12.3 75.0 111 116 A S H X S+ 0 0 16 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.847 113.9 53.0 -61.8 -31.9 39.9 9.0 74.2 112 117 A D H X S+ 0 0 81 -4,-2.5 4,-3.2 -5,-0.2 -1,-0.2 0.933 109.6 48.1 -69.0 -42.2 36.7 10.2 76.0 113 118 A A H X S+ 0 0 9 -4,-2.2 4,-2.2 -5,-0.2 6,-0.3 0.905 110.0 53.2 -64.4 -40.2 36.6 13.3 73.9 114 119 A V H X>S+ 0 0 2 -4,-2.5 5,-2.4 2,-0.2 4,-0.6 0.926 114.8 40.7 -60.8 -43.1 37.1 11.3 70.7 115 120 A A H ><5S+ 0 0 73 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.941 112.9 53.7 -71.8 -48.7 34.1 9.0 71.7 116 121 A K H 3<5S+ 0 0 154 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.886 119.2 33.0 -53.6 -44.5 31.9 11.8 72.9 117 122 A Y H 3<5S- 0 0 32 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.449 109.7-116.9 -95.4 2.3 32.2 13.8 69.7 118 123 A G T <<5 + 0 0 33 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.846 54.1 167.6 66.9 36.1 32.5 10.9 67.4 119 124 A L < - 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