==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-06 2G3I . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR S.DIERTAVITIAN,S.KANEKO,Z.FUJIMOTO,A.KUNO,E.JOHANSSON,L.LO L . 303 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 0 1 0 0 1 1 1 2 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 4 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 PARALLEL BRIDGES PER LADDER . 4 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 . 1 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 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 A 0 0 73 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 148.1 -29.3 91.9 42.9 2 2 A E + 0 0 120 9,-0.1 299,-0.1 7,-0.1 6,-0.0 -0.161 360.0 79.3 134.7 -67.8 -28.4 94.2 40.9 3 3 A S S S+ 0 0 87 298,-0.0 2,-0.3 5,-0.0 294,-0.1 0.607 89.0 47.5 -96.8 -11.9 -28.1 97.5 43.0 4 4 A T S > S- 0 0 33 1,-0.1 4,-2.8 293,-0.1 5,-0.2 -0.936 80.6-118.0-128.5 155.6 -24.7 97.0 44.8 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.907 111.6 47.3 -56.7 -49.4 -21.2 96.0 43.5 6 6 A G H > S+ 0 0 2 31,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.925 114.7 45.2 -59.4 -49.6 -20.9 92.9 45.6 7 7 A A H > S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.900 112.9 52.0 -64.8 -38.9 -24.4 91.6 44.8 8 8 A A H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 4,-0.4 0.933 111.6 46.7 -60.7 -47.0 -23.9 92.4 41.1 9 9 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-1.6 0.876 104.8 61.0 -59.9 -42.8 -20.6 90.5 41.0 10 10 A A H ><5S+ 0 0 48 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.733 88.7 70.8 -63.4 -23.1 -22.1 87.5 42.9 11 11 A Q T <<5S+ 0 0 144 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.789 105.6 40.8 -61.3 -27.2 -24.6 86.9 40.0 12 12 A S T < 5S- 0 0 43 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.240 127.6-100.5-102.6 11.3 -21.6 85.7 37.9 13 13 A G T < 5S+ 0 0 72 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.611 87.8 114.4 79.7 17.7 -20.1 83.8 40.9 14 14 A R < - 0 0 32 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.609 56.7-128.3-116.6 169.9 -17.6 86.6 41.6 15 15 A Y E -a 262 0A 14 246,-1.3 248,-1.8 -2,-0.2 2,-0.4 -0.796 1.5-152.5-117.7 156.3 -16.9 89.0 44.4 16 16 A F E +a 263 0A 1 -2,-0.3 23,-2.1 246,-0.2 24,-0.7 -0.981 32.9 173.2-125.7 121.7 -16.4 92.8 44.5 17 17 A G E -ab 264 40A 0 246,-2.9 248,-2.5 -2,-0.4 2,-0.3 -0.630 20.1-152.8-125.8 176.3 -14.2 93.7 47.4 18 18 A T E -ab 265 41A 1 22,-1.7 24,-2.0 246,-0.3 2,-0.4 -0.972 27.7-105.0-145.6 158.6 -12.3 96.6 49.1 19 19 A A E - b 0 42A 0 246,-1.2 2,-0.4 -2,-0.3 24,-0.2 -0.722 37.0-156.2 -78.7 132.5 -9.4 97.3 51.3 20 20 A I E - b 0 43A 0 22,-3.0 24,-2.7 -2,-0.4 2,-0.4 -0.957 4.1-152.6-114.3 133.4 -10.5 98.1 54.9 21 21 A A > - 0 0 12 -2,-0.4 3,-1.6 22,-0.2 4,-0.3 -0.904 13.6-141.1-102.2 132.2 -8.4 100.2 57.3 22 22 A S G > S+ 0 0 23 -2,-0.4 3,-1.3 1,-0.3 4,-0.2 0.847 100.1 62.4 -61.6 -35.9 -8.9 99.5 61.0 23 23 A G G 3 S+ 0 0 72 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.603 101.0 53.4 -62.1 -15.2 -8.6 103.2 61.8 24 24 A K G X S+ 0 0 60 -3,-1.6 3,-1.8 1,-0.2 7,-0.3 0.437 79.6 90.4-102.4 -1.2 -11.7 104.0 59.7 25 25 A L T < S+ 0 0 22 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.679 82.8 58.9 -74.3 -15.7 -14.1 101.5 61.4 26 26 A G T 3 S+ 0 0 73 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.360 86.8 94.6 -85.1 2.9 -15.2 104.2 63.9 27 27 A D <> - 0 0 58 -3,-1.8 4,-2.5 1,-0.1 3,-0.2 -0.838 60.5-166.6 -97.8 106.3 -16.3 106.2 60.8 28 28 A S H > S+ 0 0 90 -2,-0.8 4,-2.2 1,-0.2 -1,-0.1 0.851 86.7 52.2 -65.8 -39.0 -20.0 105.6 60.2 29 29 A A H > S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.868 112.7 48.0 -62.0 -37.3 -20.2 107.1 56.7 30 30 A Y H > S+ 0 0 1 -3,-0.2 4,-2.5 -6,-0.2 -2,-0.2 0.940 113.3 44.7 -68.5 -50.2 -17.3 104.8 55.8 31 31 A T H X S+ 0 0 25 -4,-2.5 4,-2.6 -7,-0.3 5,-0.3 0.803 107.9 59.9 -69.2 -29.6 -18.7 101.6 57.2 32 32 A T H X S+ 0 0 82 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.963 111.9 38.2 -57.8 -53.1 -22.1 102.3 55.8 33 33 A I H X S+ 0 0 9 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.966 118.0 50.0 -62.0 -51.0 -20.7 102.3 52.2 34 34 A A H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.889 112.9 45.5 -60.0 -42.2 -18.3 99.5 52.9 35 35 A S H < S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.918 117.4 43.8 -67.4 -45.2 -20.9 97.2 54.4 36 36 A R H < S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.873 120.5 35.7 -65.1 -42.9 -23.5 97.8 51.7 37 37 A E H < S+ 0 0 2 -4,-2.8 -31,-2.4 -5,-0.2 2,-0.4 0.684 106.3 58.8 -94.6 -23.0 -21.3 97.6 48.6 38 38 A F < - 0 0 4 -4,-1.5 -21,-0.2 -5,-0.3 3,-0.0 -0.891 39.8-175.6-119.0 145.9 -18.7 95.0 49.1 39 39 A N S S+ 0 0 40 -23,-2.1 38,-1.9 -2,-0.4 2,-0.3 0.168 76.6 58.1-117.3 15.5 -18.7 91.2 49.8 40 40 A M E -bc 17 77A 1 -24,-0.7 -22,-1.7 36,-0.2 2,-0.4 -0.991 63.9-164.5-145.4 143.3 -14.9 90.8 50.2 41 41 A V E -bc 18 78A 0 36,-1.8 38,-2.6 -2,-0.3 2,-0.4 -0.990 7.5-171.9-132.5 137.1 -12.5 92.6 52.5 42 42 A T E -bc 19 79A 0 -24,-2.0 -22,-3.0 -2,-0.4 2,-0.5 -0.993 31.3-121.3-122.4 136.8 -8.7 92.9 52.6 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.3 -2,-0.4 -22,-0.2 -0.664 18.0-147.3 -74.6 123.1 -6.9 94.4 55.5 44 44 A E S S- 0 0 23 -24,-2.7 -1,-0.2 -2,-0.5 -23,-0.1 0.894 82.6 -19.4 -59.7 -41.3 -5.0 97.4 54.2 45 45 A N S > S+ 0 0 73 -25,-0.3 3,-1.4 3,-0.1 6,-0.3 0.522 112.9 90.4-139.0 -19.1 -2.0 97.1 56.7 46 46 A E T 3 S+ 0 0 18 1,-0.3 18,-0.5 17,-0.1 19,-0.1 0.512 90.2 47.6 -75.9 -7.6 -3.1 95.0 59.7 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.3 -3,-0.0 0.285 85.2 111.3-117.3 10.1 -2.0 91.5 58.3 48 48 A K S <> S- 0 0 31 -3,-1.4 4,-1.7 1,-0.1 3,-0.3 -0.289 84.4 -98.7 -72.9 172.0 1.4 92.5 57.1 49 49 A I H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 40,-0.1 0.884 122.4 47.3 -65.9 -44.7 4.6 91.1 58.8 50 50 A D H 4 S+ 0 0 73 38,-1.2 -1,-0.2 1,-0.2 39,-0.1 0.778 113.8 50.9 -71.2 -22.4 5.3 94.2 61.0 51 51 A A H 4 S+ 0 0 28 -3,-0.3 -1,-0.2 -6,-0.3 -2,-0.2 0.815 121.7 29.5 -76.6 -35.5 1.7 94.2 62.0 52 52 A T H < S+ 0 0 0 -4,-1.7 8,-2.3 1,-0.2 -2,-0.2 0.693 133.9 23.5-103.2 -27.4 1.5 90.5 63.0 53 53 A E < + 0 0 6 -4,-2.8 -1,-0.2 6,-0.2 6,-0.2 -0.414 65.7 150.3-134.3 61.7 5.0 89.6 64.2 54 54 A P S S+ 0 0 61 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.766 73.9 44.3 -67.8 -24.9 6.6 92.9 65.2 55 55 A Q B > S-I 58 0B 127 3,-0.9 3,-2.4 -3,-0.1 2,-0.0 -0.965 108.3 -91.4-118.6 141.9 8.7 91.0 67.8 56 56 A R T 3 S- 0 0 144 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.230 107.1 -4.3 -55.1 121.2 10.4 87.8 67.0 57 57 A G T 3 S+ 0 0 43 -4,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.523 110.5 104.4 73.3 5.1 8.2 84.8 67.8 58 58 A Q B < -I 55 0B 116 -3,-2.4 -3,-0.9 -5,-0.0 2,-0.1 -0.952 57.7-153.6-124.7 116.7 5.4 86.9 69.3 59 59 A F - 0 0 67 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.433 7.2-160.9 -92.6 149.4 2.3 87.4 67.2 60 60 A N + 0 0 77 -8,-2.3 4,-0.2 -2,-0.1 3,-0.1 -0.933 19.9 162.0-133.3 108.0 -0.0 90.4 67.4 61 61 A F > + 0 0 33 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 0.421 42.0 103.8-109.8 3.0 -3.4 89.8 66.0 62 62 A S H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.893 88.4 35.2 -55.3 -53.8 -5.5 92.6 67.5 63 63 A A H > S+ 0 0 42 2,-0.2 4,-1.9 -12,-0.2 -1,-0.2 0.916 118.4 52.4 -71.4 -38.8 -5.8 95.0 64.5 64 64 A G H > S+ 0 0 1 -18,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.907 111.5 47.8 -58.8 -44.1 -6.0 92.1 62.0 65 65 A D H X S+ 0 0 40 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.795 104.8 58.9 -70.4 -29.8 -8.8 90.6 64.0 66 66 A R H X S+ 0 0 129 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.940 112.2 40.1 -65.4 -42.3 -10.7 93.9 64.3 67 67 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.946 117.3 49.4 -68.1 -47.1 -10.8 94.0 60.4 68 68 A Y H X S+ 0 0 30 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.930 112.3 47.8 -58.3 -47.1 -11.5 90.3 60.2 69 69 A N H X S+ 0 0 73 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.892 111.0 49.9 -64.6 -41.3 -14.3 90.5 62.7 70 70 A W H X S+ 0 0 33 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.903 112.0 50.1 -61.2 -41.4 -15.9 93.5 61.1 71 71 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.7 0.958 113.5 43.3 -61.9 -51.5 -15.8 91.7 57.7 72 72 A V H ><5S+ 0 0 70 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.840 111.2 54.2 -68.6 -35.7 -17.4 88.5 59.0 73 73 A Q H 3<5S+ 0 0 147 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.681 111.8 46.5 -69.6 -19.7 -20.1 90.3 61.0 74 74 A N T <<5S- 0 0 54 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.084 124.1-100.5-112.1 20.9 -21.1 92.2 57.9 75 75 A G T < 5S+ 0 0 63 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.724 75.5 133.0 76.9 26.3 -21.2 89.1 55.6 76 76 A K < - 0 0 17 -5,-2.7 -36,-0.2 -6,-0.1 -1,-0.2 -0.806 49.6-134.4-107.9 151.2 -17.8 89.4 53.8 77 77 A Q E -c 40 0A 112 -38,-1.9 -36,-1.8 -2,-0.3 2,-0.4 -0.438 29.1-131.6 -85.4 173.5 -15.1 87.0 53.0 78 78 A V E -c 41 0A 1 41,-0.3 43,-1.9 -38,-0.2 44,-0.9 -0.985 9.7-151.1-137.0 136.5 -11.5 88.1 53.6 79 79 A R E -cd 42 122A 0 -38,-2.6 -36,-0.7 -2,-0.4 2,-0.4 -0.924 25.7-129.8-100.7 134.4 -8.3 88.0 51.6 80 80 A G E - d 0 123A 0 42,-3.2 44,-3.1 -2,-0.5 2,-0.3 -0.754 18.8-145.0 -86.5 131.0 -5.1 87.9 53.7 81 81 A H E - d 0 124A 5 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.970 57.7 -11.1-137.0 113.1 -2.4 90.4 52.8 82 82 A T E + 0 0 0 42,-0.6 -1,-0.2 -2,-0.3 43,-0.2 0.728 37.5 165.7-148.8 156.8 0.5 89.4 53.1 83 83 A L E S+ 0 0 2 41,-2.1 2,-0.4 1,-0.3 43,-0.2 0.797 84.2 23.4 -89.2 -31.7 2.7 86.6 54.4 84 84 A A E S+ d 0 126A 1 41,-1.0 43,-2.2 40,-0.4 2,-0.3 -0.963 70.6 147.3-147.3 122.6 6.1 87.1 52.8 85 85 A W E - d 0 127A 23 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.991 48.6-134.2-160.2 138.3 7.4 90.4 51.4 86 86 A H S S+ 0 0 52 41,-0.5 3,-0.3 -2,-0.3 2,-0.2 0.718 92.2 64.9 -66.8 -24.5 10.7 92.3 51.0 87 87 A S S S+ 0 0 39 1,-0.2 -38,-0.2 40,-0.2 -2,-0.1 -0.542 94.8 24.3-100.1 165.2 9.0 95.5 52.4 88 88 A A S S+ 0 0 33 1,-0.2 -38,-1.2 -2,-0.2 -1,-0.2 0.829 78.3 159.0 54.0 34.0 7.5 96.4 55.8 89 89 A Q - 0 0 8 -3,-0.3 -1,-0.2 -40,-0.1 -3,-0.0 -0.706 45.1-110.6 -85.8 142.6 9.6 93.8 57.5 90 90 A P >> - 0 0 9 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.318 32.5-105.6 -66.5 155.6 10.2 94.4 61.3 91 91 A G H 3> S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -36,-0.1 0.891 119.3 56.6 -50.3 -46.8 13.7 95.4 62.3 92 92 A W H 34 S+ 0 0 45 -38,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.820 110.5 43.7 -58.9 -31.4 14.4 91.9 63.7 93 93 A M H X4 S+ 0 0 3 -3,-1.0 3,-1.4 2,-0.2 -1,-0.2 0.866 106.8 58.8 -81.8 -38.5 13.7 90.2 60.4 94 94 A Q H 3< S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.846 103.4 55.7 -55.4 -38.6 15.5 92.8 58.3 95 95 A S T 3< S+ 0 0 101 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.667 94.0 91.2 -63.7 -22.8 18.7 91.9 60.3 96 96 A L < + 0 0 24 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.0 -0.452 51.4 176.3 -86.1 155.9 18.3 88.2 59.4 97 97 A S >> - 0 0 89 -2,-0.1 4,-1.2 49,-0.0 3,-1.0 -0.956 40.7 -2.4-147.4 161.9 19.9 86.4 56.5 98 98 A G H 3> S- 0 0 32 44,-0.3 4,-2.6 -2,-0.3 5,-0.1 -0.175 121.0 -7.3 63.6-140.0 20.3 82.9 54.9 99 99 A S H 3> S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.780 135.2 55.7 -67.0 -29.4 18.8 79.8 56.6 100 100 A T H <> S+ 0 0 68 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.914 110.3 45.0 -70.0 -43.4 17.9 81.8 59.7 101 101 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.932 111.4 54.6 -60.8 -45.7 15.8 84.3 57.6 102 102 A R H X S+ 0 0 35 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.923 109.1 46.7 -55.0 -47.9 14.4 81.3 55.7 103 103 A Q H X S+ 0 0 92 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.876 110.4 52.4 -63.2 -39.9 13.2 79.7 58.9 104 104 A A H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.857 108.1 52.3 -60.3 -39.6 11.7 83.0 60.2 105 105 A M H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.916 112.4 45.0 -63.1 -45.5 9.8 83.3 57.0 106 106 A I H X S+ 0 0 29 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 113.1 49.5 -61.0 -49.7 8.4 79.8 57.4 107 107 A D H X S+ 0 0 80 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.849 109.8 52.9 -61.6 -35.4 7.6 80.4 61.1 108 108 A H H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.949 108.5 49.0 -63.4 -49.6 5.8 83.6 60.2 109 109 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.4 0.928 113.5 47.5 -54.3 -46.5 3.6 81.9 57.6 110 110 A N H X S+ 0 0 68 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.914 113.0 47.6 -63.7 -43.7 2.7 79.2 60.1 111 111 A G H X S+ 0 0 21 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.918 117.8 39.1 -65.2 -45.2 1.9 81.6 62.9 112 112 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.965 121.1 42.4 -74.8 -49.6 -0.3 83.9 60.9 113 113 A M H < S+ 0 0 0 -4,-2.4 4,-0.3 -5,-0.3 -2,-0.2 0.895 112.9 56.0 -61.7 -39.0 -2.1 81.2 58.7 114 114 A G H >< S+ 0 0 40 -4,-2.2 3,-1.0 -5,-0.4 -1,-0.2 0.907 106.3 50.1 -54.5 -46.1 -2.4 79.1 61.9 115 115 A H H 3< S+ 0 0 71 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.883 120.9 33.7 -65.3 -38.5 -4.2 81.9 63.7 116 116 A Y T >X S+ 0 0 0 -4,-1.7 3,-2.9 -5,-0.1 4,-0.7 0.190 84.2 156.2-100.5 13.0 -6.7 82.5 60.8 117 117 A K T <4 S+ 0 0 121 -3,-1.0 45,-0.1 -4,-0.3 -3,-0.1 -0.134 74.6 3.2 -49.5 126.0 -6.9 78.8 59.7 118 118 A G T 34 S+ 0 0 59 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.274 116.2 84.9 83.3 -10.3 -10.2 78.2 57.8 119 119 A K T <4 S+ 0 0 103 -3,-2.9 2,-0.5 1,-0.1 -41,-0.3 0.587 72.8 75.7-100.3 -12.6 -11.2 81.9 58.1 120 120 A I < - 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