==== 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 2G3J . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR S.DIERTAVITIAN,S.KANEKO,Z.FUJIMOTO,A.KUNO,E.JOHANSSON,L.LO L . 301 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.7 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.9 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 3 0 0 1 0 0 3 0 3 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 5 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 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 93 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 130.2 -29.7 92.5 43.7 2 2 A E + 0 0 100 9,-0.1 299,-0.1 7,-0.1 6,-0.0 -0.313 360.0 92.2 133.3 -49.6 -28.3 94.7 41.8 3 3 A S S S+ 0 0 94 5,-0.0 2,-0.3 0, 0.0 294,-0.1 0.733 85.4 44.2 -89.6 -25.5 -28.2 97.9 44.0 4 4 A T S > S- 0 0 33 1,-0.1 4,-2.1 293,-0.1 5,-0.2 -0.825 84.0-114.5-120.8 160.3 -24.8 97.7 45.6 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.910 112.0 47.1 -62.0 -50.1 -21.3 96.7 44.2 6 6 A G H > S+ 0 0 2 31,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.857 113.1 48.4 -61.6 -40.9 -20.8 93.5 46.2 7 7 A A H > S+ 0 0 29 30,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.918 111.7 50.2 -65.3 -41.5 -24.3 92.1 45.4 8 8 A A H >X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.936 111.5 46.6 -66.9 -45.5 -24.0 92.9 41.7 9 9 A A H ><>S+ 0 0 1 -4,-2.5 5,-2.3 1,-0.2 3,-1.1 0.865 106.2 61.8 -59.2 -37.4 -20.6 91.1 41.5 10 10 A A H ><5S+ 0 0 51 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.829 90.1 67.8 -61.0 -34.8 -22.2 88.2 43.5 11 11 A Q H <<5S+ 0 0 95 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.820 106.9 40.9 -49.9 -36.9 -24.7 87.7 40.6 12 12 A S T <<5S- 0 0 51 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.040 127.6 -96.6-107.3 26.6 -21.8 86.5 38.5 13 13 A G T < 5S+ 0 0 71 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.503 89.0 104.7 81.7 8.0 -20.0 84.5 41.2 14 14 A R < - 0 0 38 -5,-2.3 2,-0.3 -6,-0.1 248,-0.2 -0.546 59.5-123.7-117.7 176.7 -17.5 87.2 42.3 15 15 A Y E -a 262 0A 16 246,-1.2 248,-2.1 -2,-0.2 2,-0.4 -0.812 4.1-147.6-115.9 159.3 -16.9 89.7 45.1 16 16 A F E -a 263 0A 0 -2,-0.3 23,-1.7 246,-0.2 24,-0.7 -0.957 33.6-179.3-125.4 116.4 -16.4 93.4 45.3 17 17 A G E -ab 264 40A 0 246,-3.8 248,-2.3 -2,-0.4 2,-0.3 -0.482 19.6-158.3-115.0 173.2 -14.0 94.4 48.1 18 18 A T E -ab 265 41A 1 22,-2.1 24,-2.3 246,-0.2 2,-0.4 -0.972 26.3-110.9-143.3 159.9 -12.3 97.2 49.9 19 19 A A E - b 0 42A 0 246,-1.1 2,-0.4 -2,-0.3 24,-0.2 -0.755 34.0-152.6 -81.4 136.6 -9.4 97.9 52.1 20 20 A I E - b 0 43A 0 22,-3.1 24,-2.7 -2,-0.4 2,-0.6 -0.957 9.3-158.6-117.5 132.9 -10.2 98.7 55.7 21 21 A A > - 0 0 12 -2,-0.4 3,-2.1 22,-0.2 4,-0.3 -0.953 13.7-147.2-105.8 117.3 -8.2 100.9 58.2 22 22 A S G > S+ 0 0 20 -2,-0.6 3,-2.0 1,-0.3 4,-0.2 0.867 94.7 68.8 -52.0 -40.7 -9.1 100.1 61.8 23 23 A G G 3 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.520 98.8 50.5 -54.1 -11.4 -8.4 103.7 62.7 24 24 A K G X S+ 0 0 71 -3,-2.1 3,-1.8 1,-0.1 -1,-0.3 0.412 78.1 96.9-108.5 -3.3 -11.5 104.8 60.7 25 25 A L T < S+ 0 0 19 -3,-2.0 -2,-0.1 -4,-0.3 -1,-0.1 0.630 75.9 63.3 -67.9 -12.3 -14.1 102.4 62.2 26 26 A G T 3 S+ 0 0 82 -4,-0.2 2,-0.6 -3,-0.2 -1,-0.3 0.298 83.9 90.7 -88.5 10.1 -15.3 105.1 64.7 27 27 A D <> - 0 0 61 -3,-1.8 4,-2.0 1,-0.1 3,-0.3 -0.923 64.2-160.7-107.0 110.8 -16.5 107.3 61.7 28 28 A S H > S+ 0 0 91 -2,-0.6 4,-1.8 1,-0.2 5,-0.1 0.810 89.0 57.0 -71.5 -25.5 -20.1 106.3 60.9 29 29 A A H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 108.8 48.4 -67.8 -39.0 -20.1 107.8 57.4 30 30 A Y H > S+ 0 0 2 -3,-0.3 4,-2.5 -6,-0.2 -2,-0.2 0.945 115.0 42.7 -62.8 -51.9 -17.1 105.5 56.6 31 31 A T H X S+ 0 0 27 -4,-2.0 4,-2.2 -7,-0.3 5,-0.2 0.721 108.5 59.9 -72.7 -25.5 -18.7 102.3 58.0 32 32 A T H X S+ 0 0 80 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.974 113.7 35.2 -65.7 -54.9 -22.1 103.0 56.5 33 33 A I H X S+ 0 0 7 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.945 120.5 49.6 -58.8 -53.3 -20.8 103.0 52.9 34 34 A A H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 -3,-0.2 0.943 114.5 44.2 -54.3 -51.6 -18.2 100.3 53.6 35 35 A S H < S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.909 117.7 45.3 -59.9 -45.3 -20.8 98.0 55.2 36 36 A R H < S+ 0 0 111 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.889 119.3 33.9 -66.0 -45.3 -23.4 98.7 52.5 37 37 A E H < S+ 0 0 2 -4,-2.9 -31,-3.1 -5,-0.1 2,-0.3 0.794 104.3 62.2 -90.1 -32.3 -21.3 98.3 49.3 38 38 A F < - 0 0 5 -4,-1.6 -21,-0.2 -5,-0.3 3,-0.1 -0.768 40.9-173.6-109.9 143.0 -18.6 95.7 49.8 39 39 A N S S+ 0 0 42 -23,-1.7 38,-1.9 -2,-0.3 2,-0.3 0.141 76.2 58.1-111.4 15.4 -18.7 91.9 50.5 40 40 A M E -bc 17 77A 2 -24,-0.7 -22,-2.1 36,-0.3 2,-0.4 -0.997 63.3-163.2-145.8 140.2 -14.9 91.5 51.0 41 41 A V E -bc 18 78A 0 36,-2.2 38,-2.3 -2,-0.3 2,-0.4 -0.984 7.1-174.0-128.5 131.4 -12.5 93.2 53.3 42 42 A T E -bc 19 79A 0 -24,-2.3 -22,-3.1 -2,-0.4 2,-0.6 -0.930 30.3-123.6-111.0 146.5 -8.7 93.4 53.3 43 43 A A E -b 20 0A 2 36,-0.7 4,-0.3 -2,-0.4 -22,-0.2 -0.824 15.5-149.4 -89.8 123.1 -6.9 95.0 56.3 44 44 A E S S- 0 0 23 -24,-2.7 -23,-0.1 -2,-0.6 -1,-0.1 0.802 83.0 -14.2 -64.4 -30.7 -4.9 97.9 54.9 45 45 A N S > S+ 0 0 73 -25,-0.4 3,-1.5 18,-0.1 6,-0.2 0.540 109.8 90.6-140.8 -23.1 -2.1 97.5 57.6 46 46 A E T 3 S+ 0 0 14 1,-0.3 18,-0.4 17,-0.2 19,-0.1 0.507 92.4 44.2 -76.3 -8.5 -3.2 95.4 60.5 47 47 A M T 3 S+ 0 0 1 34,-0.6 -1,-0.3 -4,-0.3 5,-0.1 0.313 83.1 121.1-113.5 8.3 -1.9 92.0 59.2 48 48 A K S X> S- 0 0 41 -3,-1.5 4,-1.2 1,-0.1 3,-0.9 -0.172 80.3-102.7 -61.7 162.8 1.5 93.3 57.9 49 49 A I H 3> S+ 0 0 3 38,-0.3 4,-2.7 1,-0.3 3,-0.5 0.908 121.2 49.0 -62.0 -45.8 4.5 91.5 59.5 50 50 A D H 34 S+ 0 0 69 38,-1.6 -1,-0.3 1,-0.2 39,-0.1 0.646 110.3 53.3 -68.9 -15.5 5.4 94.3 61.9 51 51 A A H <4 S+ 0 0 31 -3,-0.9 -1,-0.2 -6,-0.2 -2,-0.2 0.722 118.6 32.9 -86.9 -25.1 1.7 94.5 63.1 52 52 A T H < S+ 0 0 0 -4,-1.2 8,-1.9 -3,-0.5 -2,-0.2 0.730 133.9 23.5-104.8 -29.1 1.4 90.8 63.9 53 53 A E < + 0 0 8 -4,-2.7 6,-0.2 6,-0.2 -1,-0.2 -0.480 65.1 148.8-134.3 66.7 4.9 90.0 65.1 54 54 A P S S+ 0 0 63 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.760 73.4 47.9 -74.8 -20.1 6.6 93.2 66.3 55 55 A Q B > S-I 58 0B 125 3,-0.9 3,-2.7 -3,-0.1 0, 0.0 -0.977 105.3 -97.6-120.8 132.3 8.6 91.3 68.9 56 56 A R T 3 S- 0 0 143 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.188 106.8 -1.7 -51.6 116.1 10.5 88.1 68.0 57 57 A G T 3 S+ 0 0 40 1,-0.1 2,-0.5 -4,-0.1 -1,-0.3 0.310 111.6 97.7 87.9 -7.5 8.3 85.2 68.9 58 58 A Q B < -I 55 0B 115 -3,-2.7 -3,-0.9 2,-0.0 2,-0.2 -0.970 58.9-153.3-117.7 125.0 5.4 87.2 70.4 59 59 A F - 0 0 70 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.536 7.1-160.5 -97.4 158.0 2.3 87.9 68.2 60 60 A N + 0 0 80 -8,-1.9 4,-0.2 -2,-0.2 3,-0.1 -0.944 17.1 166.0-141.4 107.8 -0.2 90.7 68.5 61 61 A F > + 0 0 33 -2,-0.4 4,-3.8 1,-0.1 5,-0.2 0.353 43.4 105.7-109.1 8.1 -3.6 90.2 66.8 62 62 A S H > S+ 0 0 90 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.917 88.6 33.8 -58.5 -60.9 -5.6 93.2 68.3 63 63 A A H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 120.3 54.4 -61.6 -41.3 -5.8 95.6 65.4 64 64 A G H > S+ 0 0 2 -18,-0.4 4,-2.7 1,-0.2 3,-0.4 0.954 110.4 45.2 -50.5 -55.5 -5.9 92.5 63.1 65 65 A D H X S+ 0 0 41 -4,-3.8 4,-3.1 1,-0.2 -1,-0.2 0.754 105.5 60.1 -67.7 -26.4 -8.9 91.1 65.0 66 66 A R H X S+ 0 0 132 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.904 111.9 40.0 -70.1 -37.8 -10.8 94.3 65.1 67 67 A V H X S+ 0 0 2 -4,-1.6 4,-2.2 -3,-0.4 -2,-0.2 0.937 115.8 50.9 -74.0 -45.8 -10.8 94.4 61.3 68 68 A Y H X S+ 0 0 37 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.931 113.8 45.9 -55.1 -47.6 -11.5 90.6 61.1 69 69 A N H X S+ 0 0 67 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.855 110.0 51.7 -67.6 -37.4 -14.4 91.0 63.5 70 70 A W H X S+ 0 0 30 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.903 111.4 49.0 -62.8 -43.2 -15.9 94.1 61.8 71 71 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.7 0.960 114.1 44.0 -62.3 -53.5 -15.9 92.3 58.4 72 72 A V H ><5S+ 0 0 68 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.897 110.9 54.3 -57.9 -46.8 -17.5 89.1 59.7 73 73 A Q H 3<5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.720 112.0 45.4 -61.4 -25.3 -20.1 91.0 61.8 74 74 A N T <<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.104 122.3-103.0-109.5 20.2 -21.2 92.9 58.6 75 75 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.649 75.2 128.3 78.6 20.7 -21.3 89.8 56.3 76 76 A K < - 0 0 20 -5,-2.5 -36,-0.3 -6,-0.2 -1,-0.2 -0.712 51.6-128.1-103.2 159.9 -18.0 90.1 54.3 77 77 A Q E -c 40 0A 119 -38,-1.9 -36,-2.2 -2,-0.2 2,-0.4 -0.399 29.7-123.3 -86.3 174.8 -15.2 87.6 53.7 78 78 A V E -c 41 0A 6 41,-0.2 43,-1.6 -38,-0.2 44,-1.0 -0.962 11.9-155.1-131.1 140.2 -11.6 88.5 54.3 79 79 A R E -cd 42 122A 1 -38,-2.3 -36,-0.7 -2,-0.4 2,-0.4 -0.966 25.2-132.6-104.3 132.3 -8.3 88.6 52.4 80 80 A G E - d 0 123A 0 42,-3.2 44,-3.1 -2,-0.5 2,-0.3 -0.717 17.9-148.2 -85.0 134.4 -5.2 88.3 54.4 81 81 A H E - d 0 124A 5 -2,-0.4 -34,-0.6 1,-0.2 44,-0.1 -0.932 55.8 -7.3-148.9 106.8 -2.4 90.8 53.6 82 82 A T E + 0 0 0 42,-0.6 -1,-0.2 -2,-0.3 43,-0.2 0.674 37.6 161.4-155.6 154.8 0.4 89.8 54.0 83 83 A L E S+ 0 0 2 41,-2.2 2,-0.4 1,-0.2 42,-0.2 0.780 83.2 25.0 -91.5 -31.8 2.7 87.0 55.3 84 84 A A E S+ d 0 126A 1 41,-0.9 43,-1.7 40,-0.4 2,-0.3 -0.914 71.8 145.8-144.0 116.4 6.2 87.5 53.6 85 85 A W - 0 0 16 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.962 49.9-132.1-151.7 151.2 7.5 90.8 52.4 86 86 A H S S+ 0 0 60 41,-0.5 3,-0.3 -2,-0.3 2,-0.2 0.813 93.7 55.1 -77.6 -26.6 10.7 92.8 52.1 87 87 A S S S+ 0 0 47 1,-0.2 -38,-0.3 41,-0.1 -2,-0.1 -0.647 93.9 37.1-113.7 159.5 9.1 95.9 53.6 88 88 A A S S+ 0 0 23 1,-0.2 -38,-1.6 -2,-0.2 -1,-0.2 0.831 78.3 150.9 62.3 34.3 7.2 96.5 56.9 89 89 A Q - 0 0 8 -3,-0.3 -1,-0.2 -40,-0.2 -3,-0.0 -0.763 48.6-116.4 -87.5 141.7 9.6 94.1 58.7 90 90 A P > - 0 0 11 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.277 30.7-106.7 -66.0 162.5 10.3 94.8 62.4 91 91 A G H > S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.882 118.1 58.9 -60.3 -37.8 13.9 95.6 63.4 92 92 A W H 4 S+ 0 0 46 -38,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.925 112.7 38.8 -60.2 -41.6 14.5 92.2 64.9 93 93 A M H >4 S+ 0 0 5 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.880 109.6 60.4 -75.1 -40.5 13.7 90.5 61.6 94 94 A Q H 3< S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.760 102.7 56.4 -51.8 -29.0 15.5 93.2 59.6 95 95 A S T 3< S+ 0 0 101 -4,-1.5 -1,-0.3 -3,-0.2 2,-0.2 0.426 93.4 85.3 -87.4 -2.2 18.6 92.2 61.6 96 96 A L < + 0 0 26 -3,-1.8 2,-0.3 -5,-0.1 -3,-0.0 -0.571 51.0 177.2 -99.5 166.1 18.6 88.5 60.6 97 97 A S >> + 0 0 85 -2,-0.2 4,-2.1 49,-0.0 3,-0.7 -0.899 43.1 8.0-151.0 178.4 20.0 86.6 57.6 98 98 A G H 3> S- 0 0 32 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.012 122.1 -12.2 46.8-132.4 20.5 83.2 56.0 99 99 A S H 3> S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.811 133.8 59.2 -80.3 -28.8 18.8 80.3 57.7 100 100 A T H <> S+ 0 0 68 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.944 110.5 44.8 -54.9 -48.5 17.9 82.1 60.9 101 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 111.5 51.9 -65.2 -44.2 15.9 84.5 58.7 102 102 A R H X S+ 0 0 37 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.884 109.3 50.7 -55.4 -40.1 14.3 81.7 56.7 103 103 A Q H X S+ 0 0 108 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.848 107.9 52.2 -71.4 -33.7 13.3 80.0 59.9 104 104 A A H X S+ 0 0 7 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.871 106.9 54.3 -68.1 -37.0 11.7 83.3 61.1 105 105 A M H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 110.6 45.1 -59.5 -46.5 9.8 83.5 57.8 106 106 A I H X S+ 0 0 38 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.919 114.3 48.2 -65.3 -46.3 8.3 80.0 58.4 107 107 A D H X S+ 0 0 83 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.919 111.4 50.9 -61.6 -40.8 7.5 80.6 62.0 108 108 A H H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.958 109.8 49.1 -64.5 -49.9 5.8 83.9 61.0 109 109 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.911 114.7 46.8 -49.2 -46.9 3.7 82.3 58.3 110 110 A N H X S+ 0 0 68 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.934 111.2 48.6 -70.0 -44.3 2.6 79.6 60.8 111 111 A G H X S+ 0 0 25 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.923 117.2 40.7 -58.6 -46.9 1.8 81.8 63.8 112 112 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.956 118.3 43.3 -73.7 -50.5 -0.4 84.2 61.7 113 113 A M H < S+ 0 0 0 -4,-2.1 4,-0.2 -5,-0.3 -1,-0.2 0.874 111.6 57.5 -61.1 -37.9 -2.2 81.7 59.5 114 114 A G H >< S+ 0 0 39 -4,-2.1 3,-1.1 -5,-0.4 -1,-0.2 0.898 103.0 53.3 -60.4 -41.3 -2.7 79.5 62.5 115 115 A H H 3< S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.878 118.3 34.4 -62.8 -38.5 -4.5 82.3 64.4 116 116 A Y T >< S+ 0 0 2 -4,-1.4 3,-3.2 -3,-0.1 4,-0.3 0.218 86.5 163.3-100.0 18.5 -7.0 82.9 61.5 117 117 A K T < S- 0 0 119 -3,-1.1 -3,-0.1 1,-0.3 45,-0.1 -0.024 71.4 -1.5 -53.7 124.9 -7.2 79.2 60.5 118 118 A G T 3 S+ 0 0 52 2,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.389 115.8 88.2 78.5 -2.5 -10.2 78.4 58.3 119 119 A K < + 0 0 110 -3,-3.2 2,-0.5 1,-0.0 -41,-0.2 0.364 68.6 80.1-107.5 1.2 -11.4 82.1 58.5 120 120 A I - 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