==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUL-04 1W3L . COMPND 2 MOLECULE: ENDOGLUCANASE 5A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR T.M.GLOSTER,J.M.MACDONALD,C.A.TARLING,R.V.STICK,S.W.WITHERS, . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 2 0 0 0 0 1 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 4 A S > 0 0 99 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.8 73.8 43.0 7.3 2 5 A V H > + 0 0 28 88,-0.4 4,-2.7 87,-0.3 5,-0.4 0.955 360.0 36.2 -62.0 -55.4 73.2 40.9 10.4 3 6 A V H > S+ 0 0 6 87,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.869 116.4 54.3 -70.4 -34.7 69.9 39.3 9.3 4 7 A E H 4 S+ 0 0 159 86,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.922 115.3 40.8 -61.6 -42.6 71.0 39.0 5.6 5 8 A E H < S+ 0 0 123 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.915 128.0 28.1 -73.1 -46.0 74.2 37.1 6.7 6 9 A H H < S+ 0 0 30 -4,-2.7 13,-2.4 -5,-0.2 14,-0.2 0.791 85.8 166.2 -89.2 -32.2 72.7 34.9 9.4 7 10 A G < + 0 0 4 -4,-2.1 2,-0.3 -5,-0.4 -1,-0.2 -0.227 51.4 28.6 60.1-135.3 69.2 34.6 8.0 8 11 A Q S S- 0 0 62 10,-0.1 2,-0.3 158,-0.0 120,-0.1 -0.482 74.9-149.6 -66.0 119.7 66.9 31.9 9.4 9 12 A L + 0 0 3 118,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.670 24.0 163.1 -87.5 148.0 67.8 31.1 13.0 10 13 A S E -A 17 0A 38 7,-2.2 7,-2.8 -2,-0.3 2,-0.5 -0.943 38.0-105.1-151.7 172.3 67.2 27.6 14.4 11 14 A I E +A 16 0A 28 -2,-0.3 2,-0.4 179,-0.2 5,-0.2 -0.926 32.7 177.6-104.6 126.5 68.2 25.3 17.3 12 15 A S E > S-A 15 0A 67 3,-2.5 3,-1.7 -2,-0.5 -2,-0.0 -0.988 72.7 -19.2-129.4 120.6 70.6 22.5 16.6 13 16 A N T 3 S- 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 205,-0.1 0.892 128.9 -50.1 49.1 44.1 71.7 20.3 19.4 14 17 A G T 3 S+ 0 0 12 1,-0.2 2,-0.4 204,-0.1 207,-0.4 0.546 117.1 109.4 79.8 8.5 70.7 22.8 22.0 15 18 A E E < S-A 12 0A 54 -3,-1.7 -3,-2.5 205,-0.1 2,-0.5 -0.928 72.0-117.5-120.3 141.5 72.5 25.8 20.3 16 19 A L E +A 11 0A 4 237,-0.4 8,-1.8 -2,-0.4 2,-0.3 -0.646 45.7 174.2 -72.4 124.4 71.2 28.8 18.5 17 20 A V E -AB 10 23A 9 -7,-2.8 -7,-2.2 -2,-0.5 6,-0.2 -0.895 27.1-120.2-130.4 159.6 72.6 28.6 14.9 18 21 A N > - 0 0 3 4,-2.6 3,-2.2 -2,-0.3 -11,-0.2 -0.207 48.1 -81.9 -88.3-175.9 72.3 30.5 11.7 19 22 A E T 3 S+ 0 0 94 -13,-2.4 -12,-0.1 1,-0.3 -10,-0.1 0.592 130.4 51.8 -71.3 -9.6 71.0 29.2 8.4 20 23 A R T 3 S- 0 0 188 -14,-0.2 -1,-0.3 2,-0.1 -13,-0.1 0.241 122.0-104.8-106.4 12.4 74.4 27.7 7.6 21 24 A G S < S+ 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.494 74.4 138.0 82.7 9.3 74.5 25.9 10.9 22 25 A E - 0 0 112 1,-0.1 -4,-2.6 -16,-0.1 -1,-0.3 -0.647 59.6-106.5 -89.2 140.5 77.1 28.2 12.6 23 26 A Q B -B 17 0A 112 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.354 40.3-172.1 -57.7 141.0 76.6 29.2 16.2 24 27 A V - 0 0 10 -8,-1.8 2,-0.5 229,-0.2 231,-0.1 -0.994 13.8-153.4-139.4 144.8 75.5 32.7 16.6 25 28 A Q - 0 0 39 -2,-0.4 2,-0.4 229,-0.1 229,-0.1 -0.918 8.8-153.1-117.6 120.4 75.2 34.9 19.7 26 29 A L - 0 0 0 -2,-0.5 230,-2.5 227,-0.1 2,-0.4 -0.743 13.9-178.8 -90.0 140.8 72.8 37.8 19.8 27 30 A K E +c 256 0B 9 -2,-0.4 29,-2.0 228,-0.2 30,-0.6 -0.980 24.2 113.1-140.6 126.4 73.5 40.7 22.1 28 31 A G E -cd 257 57B 0 228,-1.7 230,-2.3 -2,-0.4 2,-0.3 -0.846 51.9 -69.0-165.2-161.6 71.2 43.7 22.5 29 32 A M E -cd 258 58B 0 28,-1.0 30,-2.6 228,-0.3 2,-0.4 -0.877 24.1-144.9-115.0 147.1 68.9 45.8 24.5 30 33 A S E -cd 259 59B 0 228,-3.0 231,-2.5 -2,-0.3 230,-0.6 -0.865 22.0-126.4 -97.7 142.8 65.4 45.5 25.9 31 34 A S E -c 261 0B 2 28,-2.8 231,-0.1 -2,-0.4 3,-0.1 -0.311 25.6-119.0 -62.8 163.5 63.1 48.4 26.1 32 35 A H S S- 0 0 8 229,-0.7 29,-0.4 5,-0.3 2,-0.2 -0.150 70.8 -37.8 -82.4-167.1 61.6 49.1 29.5 33 36 A G >> - 0 0 0 1,-0.2 4,-2.7 29,-0.1 3,-1.9 -0.414 54.7-140.6 -61.5 131.9 57.8 48.8 29.6 34 37 A L H 3> S+ 0 0 11 27,-1.8 4,-0.6 1,-0.3 -1,-0.2 0.698 101.1 59.7 -65.4 -21.5 56.3 50.2 26.4 35 38 A Q H 34 S+ 0 0 47 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.572 118.5 28.4 -79.3 -13.1 53.5 51.8 28.4 36 39 A W H <4 S+ 0 0 113 -3,-1.9 -2,-0.2 0, 0.0 -1,-0.1 0.709 136.1 18.7-114.4 -39.5 55.9 53.9 30.4 37 40 A Y H >< S+ 0 0 41 -4,-2.7 3,-1.5 1,-0.1 -5,-0.3 -0.147 73.4 132.2-134.2 36.2 59.0 54.5 28.2 38 41 A G G >< + 0 0 9 -4,-0.6 3,-1.9 1,-0.3 -4,-0.1 0.690 58.9 78.1 -66.4 -17.4 57.9 53.8 24.7 39 42 A Q G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 223,-0.1 0.749 86.2 61.7 -65.0 -20.3 59.4 57.0 23.4 40 43 A F G < S+ 0 0 1 -3,-1.5 2,-0.7 221,-0.2 -1,-0.3 0.472 88.6 82.0 -81.2 -4.5 62.8 55.3 23.4 41 44 A V < + 0 0 0 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.1 -0.905 62.6 110.3-107.0 105.5 61.6 52.7 20.9 42 45 A N S > S- 0 0 23 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.966 77.9 -94.0-165.5 163.0 61.8 54.0 17.4 43 46 A Y H > S+ 0 0 100 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.901 119.9 51.5 -53.1 -46.3 63.8 53.5 14.2 44 47 A E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 112.2 43.7 -66.0 -43.2 66.3 56.3 15.0 45 48 A S H > S+ 0 0 0 232,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 115.5 49.3 -66.0 -38.9 67.2 55.0 18.5 46 49 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.886 110.0 51.5 -67.5 -36.1 67.4 51.5 17.2 47 50 A K H X S+ 0 0 80 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.909 109.6 49.9 -65.3 -42.2 69.7 52.5 14.4 48 51 A W H X>S+ 0 0 74 -4,-2.2 4,-3.2 2,-0.2 5,-0.9 0.929 110.7 49.7 -62.4 -44.0 71.9 54.4 16.8 49 52 A L H X>S+ 0 0 0 -4,-2.6 6,-1.9 1,-0.2 5,-1.2 0.918 113.5 46.9 -59.1 -43.0 72.1 51.2 19.0 50 53 A R H <5S+ 0 0 73 -4,-2.4 4,-0.4 4,-0.2 -2,-0.2 0.948 122.1 33.9 -60.9 -50.1 72.9 49.2 16.0 51 54 A D H <5S+ 0 0 90 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.876 129.8 29.6 -79.8 -40.7 75.6 51.5 14.7 52 55 A D H <5S+ 0 0 28 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.820 133.4 28.5 -92.8 -37.8 77.1 52.9 17.8 53 56 A W T < S+ 0 0 23 33,-0.4 3,-1.6 5,-0.1 4,-0.1 -0.118 93.5 70.2 -98.4-163.9 49.4 44.2 33.1 66 69 A S T 3 S- 0 0 46 1,-0.3 -1,-0.1 2,-0.1 -3,-0.1 0.859 137.5 -43.8 56.4 40.8 50.7 47.3 35.0 67 70 A G T 3 S+ 0 0 34 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.506 116.7 122.2 82.5 6.2 49.0 49.6 32.5 68 71 A G S X> S- 0 0 0 -3,-1.6 4,-2.7 3,-0.1 3,-0.7 0.365 78.1 -39.6 -80.8-148.8 50.2 47.5 29.6 69 72 A Y T 34 S+ 0 0 31 -6,-2.8 -5,-0.2 1,-0.3 -4,-0.1 0.775 131.7 51.3 -56.6 -39.3 48.4 45.7 26.8 70 73 A I T 34 S+ 0 0 47 -6,-2.4 -1,-0.3 1,-0.2 -5,-0.1 0.904 118.2 39.7 -65.6 -39.7 45.4 44.3 28.7 71 74 A D T <4 S+ 0 0 96 -3,-0.7 -2,-0.2 -7,-0.7 -1,-0.2 0.818 140.1 6.4 -74.6 -39.3 44.6 47.8 30.1 72 75 A D >< - 0 0 83 -4,-2.7 3,-1.1 -8,-0.2 -1,-0.3 -0.811 64.9-165.4-150.9 106.4 45.4 49.7 26.9 73 76 A P T > + 0 0 69 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.533 68.7 94.8 -80.1 -2.8 46.1 47.6 23.8 74 77 A S T >> + 0 0 68 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.760 68.0 76.1 -59.7 -22.7 47.6 50.5 21.8 75 78 A V H <> S+ 0 0 13 -3,-1.1 4,-1.6 1,-0.3 3,-0.4 0.712 77.6 73.3 -64.6 -18.3 50.9 49.5 22.9 76 79 A K H <> S+ 0 0 26 -3,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.827 91.1 59.4 -59.6 -29.9 50.8 46.6 20.4 77 80 A E H <> S+ 0 0 100 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.2 0.824 100.7 53.6 -70.4 -28.2 51.3 49.2 17.7 78 81 A K H X S+ 0 0 62 -4,-0.6 4,-2.3 -3,-0.4 -1,-0.2 0.876 106.0 53.1 -71.4 -36.0 54.6 50.2 19.3 79 82 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.945 108.9 50.0 -58.7 -46.6 55.6 46.5 19.1 80 83 A K H X S+ 0 0 24 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.914 108.5 52.5 -58.2 -43.6 54.8 46.7 15.4 81 84 A E H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 110.5 47.9 -57.0 -44.0 56.9 49.8 15.1 82 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 111.8 49.0 -63.9 -43.9 59.8 48.1 16.7 83 86 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.937 111.6 49.2 -61.4 -45.8 59.5 45.0 14.5 84 87 A E H X S+ 0 0 98 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.895 110.5 50.8 -61.7 -40.1 59.3 47.1 11.4 85 88 A A H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.920 109.4 50.5 -62.6 -44.0 62.4 49.1 12.5 86 89 A A H X>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.8 0.901 110.4 49.9 -61.8 -41.3 64.3 45.8 13.1 87 90 A I H ><5S+ 0 0 30 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.945 113.3 45.9 -60.1 -46.2 63.4 44.6 9.6 88 91 A D H 3<5S+ 0 0 116 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.6 45.0 -66.5 -32.0 64.5 47.9 8.1 89 92 A L H 3<5S- 0 0 0 -4,-2.5 -87,-0.3 -5,-0.2 -1,-0.2 0.457 109.4-123.3 -90.2 -6.0 67.7 47.8 10.1 90 93 A D T <<5 + 0 0 36 -4,-0.8 -87,-2.0 -3,-0.8 -88,-0.4 0.866 68.7 122.5 61.4 44.5 68.4 44.2 9.4 91 94 A I < - 0 0 0 -5,-2.2 -1,-0.2 -89,-0.2 -34,-0.2 -0.816 64.9 -97.8-124.4 167.2 68.6 43.1 13.0 92 95 A Y E -e 57 0B 0 -36,-2.3 -34,-1.5 -2,-0.3 2,-0.4 -0.453 34.1-156.2 -82.0 160.1 66.6 40.5 15.1 93 96 A V E -ef 58 129B 0 35,-2.7 37,-2.1 -36,-0.2 2,-0.5 -0.998 8.3-147.9-142.9 134.2 63.7 41.5 17.2 94 97 A I E -ef 59 130B 0 -36,-2.5 -34,-2.8 -2,-0.4 2,-0.8 -0.902 7.4-153.2-103.2 123.5 62.1 39.8 20.3 95 98 A I E -ef 60 131B 0 35,-2.7 37,-3.0 -2,-0.5 2,-0.7 -0.866 21.6-162.0 -92.9 106.8 58.3 40.3 20.7 96 99 A D E -ef 61 132B 0 -36,-2.1 -34,-1.9 -2,-0.8 2,-1.2 -0.859 21.5-157.2-108.3 109.7 57.9 40.0 24.5 97 100 A W E -e 62 0B 0 35,-2.8 38,-2.3 -2,-0.7 2,-1.8 -0.739 30.4-152.0 -75.1 94.0 54.5 39.2 26.1 98 101 A H E +e 63 0B 3 -36,-2.4 -34,-1.1 -2,-1.2 -33,-0.4 -0.478 22.7 174.4 -93.9 74.9 55.8 40.7 29.3 99 102 A I + 0 0 0 -2,-1.8 37,-0.9 -36,-0.2 4,-0.1 -0.436 19.7 132.2 -71.0 149.2 53.9 39.1 32.2 100 103 A L S S+ 0 0 46 -2,-0.1 -1,-0.1 35,-0.1 38,-0.1 0.015 75.4 28.4-158.6 -78.1 55.0 39.9 35.7 101 104 A S S S+ 0 0 73 1,-0.2 2,-1.8 2,-0.1 3,-0.1 0.859 114.9 66.5 -65.0 -34.5 52.3 40.9 38.2 102 105 A D S S+ 0 0 9 1,-0.2 -1,-0.2 3,-0.0 6,-0.1 -0.682 82.1 178.8 -78.5 80.2 50.0 38.7 36.2 103 106 A N + 0 0 37 -2,-1.8 35,-2.1 -4,-0.1 -1,-0.2 0.609 54.1 64.4 -80.2 -19.1 52.3 35.9 37.4 104 107 A D S > S- 0 0 30 33,-0.2 3,-1.9 -3,-0.1 4,-0.4 -0.939 74.2-145.6-100.9 122.6 50.6 32.9 35.9 105 108 A P T 3 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 7,-0.2 0.741 96.0 70.1 -63.2 -17.9 50.8 33.1 32.0 106 109 A N T > S+ 0 0 40 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.749 78.5 78.0 -69.5 -18.5 47.4 31.4 32.0 107 110 A I T < S+ 0 0 80 -3,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.925 112.5 19.5 -57.2 -47.8 45.7 34.5 33.4 108 111 A Y T 3> S+ 0 0 53 -3,-0.5 4,-2.5 -4,-0.4 -1,-0.3 -0.063 86.2 127.2-113.5 34.1 45.7 36.2 30.0 109 112 A K H <> S+ 0 0 40 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.849 71.4 53.8 -64.1 -35.4 46.2 33.2 27.7 110 113 A E H > S+ 0 0 113 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.934 112.5 44.0 -64.4 -44.1 43.2 33.9 25.5 111 114 A E H > S+ 0 0 72 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.864 112.0 54.2 -64.6 -38.2 44.6 37.4 24.8 112 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.917 107.2 49.8 -62.4 -44.0 48.1 36.0 24.3 113 116 A K H X S+ 0 0 47 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 113.0 47.3 -59.7 -47.7 46.9 33.5 21.7 114 117 A D H X S+ 0 0 108 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.931 113.8 47.9 -56.1 -49.3 45.1 36.4 19.9 115 118 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.923 113.3 45.6 -62.8 -47.9 48.1 38.6 20.1 116 119 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.828 109.4 56.1 -70.4 -29.3 50.5 36.0 18.9 117 120 A D H X S+ 0 0 70 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.956 111.4 44.5 -58.5 -50.4 48.2 35.0 16.1 118 121 A E H X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 115.6 45.9 -60.8 -47.4 48.2 38.6 14.9 119 122 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.905 114.6 46.5 -67.6 -41.1 52.0 39.1 15.2 120 123 A S H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.829 111.2 52.8 -72.9 -29.2 52.9 35.8 13.5 121 124 A E H < S+ 0 0 127 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 116.1 40.4 -65.5 -43.5 50.4 36.4 10.7 122 125 A L H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 3,-0.2 0.898 133.6 18.5 -69.6 -43.6 52.0 39.8 10.1 123 126 A Y H >< S+ 0 0 17 -4,-2.5 3,-1.9 -5,-0.2 6,-0.3 0.366 85.9 109.8-118.2 4.8 55.6 38.9 10.5 124 127 A G T 3< S+ 0 0 11 -4,-1.7 -1,-0.1 1,-0.3 42,-0.1 0.536 77.3 57.2 -68.3 -9.2 55.8 35.2 10.1 125 128 A D T 3 S+ 0 0 163 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.100 91.2 85.2-107.9 26.2 57.6 35.3 6.8 126 129 A Y X - 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