==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUL-02 1H12 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR F.VAN PETEGEM,T.COLLINS,M.A.MEUWIS,G.FELLER,C.GERDAY, . 403 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 9.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 0 0 0 2 0 2 1 3 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 5 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 0 119 0, 0.0 23,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 151.3 11.6 20.7 -1.2 2 2 A F - 0 0 23 1,-0.1 2,-1.1 356,-0.1 356,-0.1 -0.348 360.0-128.8 -57.3 130.8 12.0 17.5 0.8 3 3 A N + 0 0 64 1,-0.2 -1,-0.1 -2,-0.1 352,-0.1 -0.737 28.9 178.3 -83.1 100.8 15.3 17.1 2.5 4 4 A N S S+ 0 0 81 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.305 70.4 65.5 -88.1 12.8 16.3 13.6 1.3 5 5 A N S S- 0 0 117 0, 0.0 -1,-0.2 0, 0.0 351,-0.1 -0.582 77.3-165.1-129.3 65.8 19.6 13.8 3.2 6 6 A P - 0 0 7 0, 0.0 297,-0.1 0, 0.0 -2,-0.0 -0.239 28.5-100.8 -58.1 140.3 18.6 13.9 6.9 7 7 A S - 0 0 69 1,-0.1 291,-2.6 2,-0.1 4,-0.1 -0.244 9.5-140.8 -62.5 144.2 21.3 15.0 9.2 8 8 A S S S+ 0 0 92 289,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.518 91.3 77.4 -74.4 -10.6 23.3 12.5 11.3 9 9 A V S S- 0 0 81 288,-0.1 288,-0.3 4,-0.0 -2,-0.1 -0.922 84.9-133.6-102.3 124.6 23.0 15.2 14.1 10 10 A G >> - 0 0 1 286,-0.6 4,-2.4 -2,-0.5 3,-0.8 -0.337 16.9-115.3 -77.8 160.5 19.7 15.2 15.8 11 11 A A H 3> S+ 0 0 3 283,-2.8 4,-2.5 1,-0.3 284,-0.2 0.788 113.5 65.4 -60.6 -30.7 17.5 18.1 16.6 12 12 A Y H 34 S+ 0 0 31 283,-2.4 -1,-0.3 1,-0.2 284,-0.1 0.881 111.7 34.2 -61.4 -39.4 17.9 17.3 20.3 13 13 A S H <4 S+ 0 0 95 -3,-0.8 -2,-0.2 282,-0.5 -1,-0.2 0.839 128.4 33.9 -84.2 -35.1 21.6 18.2 20.0 14 14 A S H < S- 0 0 59 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.746 92.0-132.6 -92.6 -23.0 21.5 21.0 17.4 15 15 A G < + 0 0 54 -4,-2.5 2,-0.7 -5,-0.3 -4,-0.1 0.413 67.2 125.7 79.2 0.6 18.2 22.6 18.4 16 16 A T - 0 0 105 -6,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -0.851 41.8-168.3 -95.4 111.1 17.3 22.7 14.7 17 17 A Y - 0 0 48 -2,-0.7 2,-0.2 -3,-0.1 278,-0.0 -0.841 17.6-128.0 -98.3 133.4 13.9 21.0 14.2 18 18 A R - 0 0 31 -2,-0.4 2,-0.5 374,-0.1 377,-0.2 -0.473 6.0-150.0 -71.2 149.1 12.7 20.1 10.7 19 19 A N > - 0 0 26 -2,-0.2 4,-2.3 375,-0.1 3,-0.2 -0.894 15.3-175.7-117.2 90.2 9.3 21.2 9.5 20 20 A L H > S+ 0 0 0 -2,-0.5 4,-2.0 372,-0.3 374,-0.2 0.895 80.8 55.1 -59.0 -41.9 8.5 18.5 7.1 21 21 A A H 4>S+ 0 0 0 372,-3.0 5,-2.5 1,-0.2 -1,-0.2 0.888 108.8 48.7 -60.1 -38.4 5.2 20.1 6.0 22 22 A Q H >45S+ 0 0 131 371,-0.3 3,-1.9 -3,-0.2 -1,-0.2 0.901 108.1 53.6 -67.8 -43.4 7.1 23.2 5.1 23 23 A E H 3<5S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.881 106.6 54.0 -54.0 -36.1 9.7 21.2 3.2 24 24 A M T 3<5S- 0 0 31 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.314 122.0-108.6 -85.8 6.0 6.8 19.7 1.2 25 25 A G T < 5 + 0 0 59 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.640 64.8 152.5 81.7 17.0 5.5 23.2 0.3 26 26 A K < - 0 0 55 -5,-2.5 2,-0.3 -6,-0.2 3,-0.2 -0.423 28.2-152.3 -82.1 157.0 2.5 23.3 2.5 27 27 A T + 0 0 115 1,-0.2 -1,-0.0 -2,-0.1 -5,-0.0 -0.783 69.6 30.9-121.8 168.2 0.9 26.4 3.8 28 28 A N S > S+ 0 0 72 -2,-0.3 4,-1.8 1,-0.1 -1,-0.2 0.862 72.5 153.9 53.1 38.4 -1.2 27.3 6.9 29 29 A I H > + 0 0 14 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.936 65.0 45.9 -65.3 -50.3 0.7 24.5 8.7 30 30 A Q H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 110.1 55.1 -64.8 -37.1 0.4 25.8 12.2 31 31 A Q H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 108.4 49.5 -59.7 -41.3 -3.3 26.5 11.8 32 32 A K H X S+ 0 0 46 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.908 111.6 48.2 -66.3 -41.7 -3.9 22.9 10.7 33 33 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 113.4 48.2 -60.3 -47.9 -1.9 21.6 13.8 34 34 A N H X S+ 0 0 76 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.906 111.3 48.1 -63.1 -42.8 -3.9 23.9 16.1 35 35 A S H X S+ 0 0 51 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.845 106.9 58.1 -67.9 -31.5 -7.3 22.9 14.7 36 36 A T H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.948 111.4 41.6 -59.6 -50.3 -6.3 19.2 14.9 37 37 A F H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.948 114.1 52.4 -63.1 -45.6 -5.8 19.6 18.7 38 38 A D H < S+ 0 0 81 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.869 112.5 44.3 -61.3 -37.1 -8.9 21.8 19.1 39 39 A N H < S+ 0 0 54 -4,-2.4 3,-0.4 2,-0.2 5,-0.3 0.872 114.4 48.1 -76.5 -35.5 -11.1 19.4 17.4 40 40 A M H < S+ 0 0 3 -4,-2.2 9,-2.8 -5,-0.2 10,-1.6 0.854 121.9 36.9 -67.7 -34.3 -9.7 16.3 19.2 41 41 A F S < S+ 0 0 11 -4,-2.6 2,-0.2 -5,-0.2 -1,-0.2 0.324 101.2 96.4-102.7 8.9 -10.0 18.2 22.6 42 42 A G S S- 0 0 20 -4,-0.4 2,-1.8 -3,-0.4 3,-0.4 -0.607 83.7-111.1-103.1 158.7 -13.2 20.0 21.9 43 43 A Y S S+ 0 0 152 -2,-0.2 -3,-0.1 1,-0.2 -4,-0.1 -0.342 78.9 113.8 -89.2 67.5 -16.7 19.0 22.8 44 44 A N - 0 0 50 -2,-1.8 -1,-0.2 -5,-0.3 -4,-0.1 0.535 67.4-139.4-114.4 -10.4 -18.0 18.2 19.3 45 45 A N S S+ 0 0 71 -3,-0.4 331,-0.1 1,-0.1 -2,-0.1 0.729 86.1 83.5 53.5 24.9 -18.6 14.4 19.4 46 46 A T S S- 0 0 67 -7,-0.2 330,-0.6 329,-0.1 -1,-0.1 0.687 112.1 -2.9-120.3 -77.0 -17.1 14.4 15.9 47 47 A Q S S+ 0 0 41 -8,-0.2 -8,-0.1 328,-0.2 -4,-0.1 0.591 103.2 130.3 -85.6 -17.0 -13.3 14.3 16.0 48 48 A Q + 0 0 9 1,-0.1 -8,-0.2 -6,-0.1 -7,-0.2 -0.056 20.2 157.1 -50.8 133.3 -13.4 14.5 19.8 49 49 A L + 0 0 1 -9,-2.8 16,-2.7 1,-0.1 2,-0.6 0.483 54.0 86.7-121.9 -16.4 -11.4 12.0 21.9 50 50 A Y E +A 64 0A 10 -10,-1.6 14,-0.2 14,-0.2 -1,-0.1 -0.844 56.6 173.1 -97.0 115.0 -11.1 14.0 25.1 51 51 A Y E -A 63 0A 33 12,-2.8 12,-2.5 -2,-0.6 2,-0.2 -0.949 29.4-117.9-127.5 141.9 -14.0 13.4 27.5 52 52 A P E -A 62 0A 49 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.485 18.8-147.6 -74.6 148.7 -14.8 14.5 31.0 53 53 A Y E +A 61 0A 4 8,-3.1 7,-2.5 -2,-0.2 8,-1.4 -0.982 21.3 178.3-115.9 123.2 -15.3 11.9 33.8 54 54 A T E -A 59 0A 70 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.904 18.7-152.8-123.7 153.7 -17.8 12.9 36.5 55 55 A E E > S-A 58 0A 49 3,-2.4 3,-2.1 -2,-0.3 77,-0.1 -0.985 82.2 -18.7-129.2 116.5 -19.0 11.0 39.6 56 56 A N T 3 S- 0 0 144 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.865 129.4 -52.3 52.7 38.4 -22.5 11.9 41.0 57 57 A G T 3 S+ 0 0 71 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.421 112.6 121.5 82.4 -2.1 -22.3 15.1 39.0 58 58 A V E < -A 55 0A 80 -3,-2.1 -3,-2.4 1,-0.0 -1,-0.2 -0.850 65.4-122.9 -97.0 123.0 -18.9 16.1 40.5 59 59 A Y E +A 54 0A 92 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.417 38.1 164.6 -62.5 134.4 -16.2 16.7 37.9 60 60 A K E - 0 0 76 -7,-2.5 2,-0.3 1,-0.4 -6,-0.2 0.754 50.4 -51.4-114.9 -61.9 -13.1 14.5 38.5 61 61 A A E -A 53 0A 0 -8,-1.4 -8,-3.1 40,-0.1 -1,-0.4 -0.874 50.2 -98.3-166.3-176.1 -10.8 14.4 35.5 62 62 A H E -A 52 0A 7 36,-1.9 2,-0.3 -10,-0.3 40,-0.3 -0.919 27.1-167.8-123.2 159.1 -10.7 13.7 31.7 63 63 A Y E -A 51 0A 13 -12,-2.5 -12,-2.8 -2,-0.3 2,-0.6 -0.957 29.8-112.7-139.4 160.4 -9.8 10.7 29.6 64 64 A I E -A 50 0A 0 -2,-0.3 2,-0.6 -14,-0.2 12,-0.5 -0.836 41.3-135.4 -89.1 119.3 -9.0 9.8 26.0 65 65 A K E -B 75 0B 41 -16,-2.7 2,-1.8 -2,-0.6 10,-0.2 -0.708 6.5-149.9 -87.2 119.2 -11.9 7.5 25.0 66 66 A A E -B 74 0B 3 8,-2.5 8,-2.0 -2,-0.6 -1,-0.1 -0.600 23.2-154.1 -87.0 79.6 -11.0 4.4 23.1 67 67 A I + 0 0 24 -2,-1.8 313,-0.3 6,-0.2 314,-0.2 -0.306 17.8 179.5 -56.4 133.3 -14.2 4.3 21.1 68 68 A N > - 0 0 34 1,-0.1 4,-1.7 312,-0.1 310,-0.1 -0.806 22.7-176.0-153.0 103.3 -14.9 0.7 20.1 69 69 A P T 4 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.767 86.8 48.6 -69.1 -28.2 -18.0 -0.4 18.2 70 70 A D T 4 S+ 0 0 86 1,-0.1 3,-0.0 2,-0.1 -2,-0.0 0.812 128.2 14.9 -86.0 -27.6 -17.1 -4.1 18.4 71 71 A E T 4 S- 0 0 83 1,-0.1 -1,-0.1 -3,-0.1 2,-0.0 0.411 113.5 -89.3-133.0 -3.5 -16.4 -4.5 22.0 72 72 A G < - 0 0 34 -4,-1.7 -1,-0.1 2,-0.0 -2,-0.1 0.167 56.5 -65.7 97.4 140.8 -17.7 -1.5 23.8 73 73 A D + 0 0 76 -4,-0.1 55,-0.3 -6,-0.1 2,-0.2 -0.280 60.2 172.6 -59.7 144.6 -15.9 1.8 24.5 74 74 A D E -B 66 0B 3 -8,-2.0 -8,-2.5 53,-0.1 2,-0.4 -0.740 30.4-114.9-142.1-174.7 -12.9 1.5 26.9 75 75 A I E -BC 65 126B 4 51,-2.2 51,-2.5 -2,-0.2 2,-0.3 -0.999 30.0-165.9-135.1 126.0 -10.1 3.7 28.2 76 76 A R E > - C 0 125B 58 -12,-0.5 4,-2.0 -2,-0.4 -12,-0.2 -0.857 28.3-134.1-121.3 148.6 -6.4 2.8 27.4 77 77 A T H > S+ 0 0 1 47,-0.9 4,-2.6 -2,-0.3 5,-0.2 0.868 105.4 57.8 -67.1 -36.8 -3.1 3.9 28.8 78 78 A E H > S+ 0 0 24 46,-0.2 4,-2.6 1,-0.2 5,-0.2 0.980 110.1 42.3 -57.3 -54.9 -1.6 4.4 25.3 79 79 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 114.3 51.8 -61.3 -39.0 -4.2 6.9 24.3 80 80 A Q H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.933 113.3 43.9 -59.8 -49.6 -4.1 8.7 27.6 81 81 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.856 112.2 52.3 -69.1 -35.1 -0.3 9.1 27.5 82 82 A W H X S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.902 108.5 52.0 -65.0 -41.7 -0.4 10.1 23.8 83 83 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.906 109.1 49.1 -63.5 -41.3 -3.0 12.8 24.6 84 84 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.899 110.1 52.5 -61.1 -41.2 -0.8 14.1 27.4 85 85 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.935 109.7 47.8 -61.4 -46.3 2.2 14.2 25.0 86 86 A A H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.925 110.9 52.2 -59.8 -44.6 0.2 16.2 22.5 87 87 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-0.5 0.927 108.3 48.9 -59.9 -46.4 -1.0 18.6 25.1 88 88 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.901 107.2 56.2 -65.7 -35.1 2.5 19.4 26.4 89 89 A M H 3<5S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 113.6 40.4 -64.3 -30.2 3.9 20.0 22.9 90 90 A L T 3<5S- 0 0 23 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.315 115.5-111.2-102.2 11.0 1.2 22.6 22.3 91 91 A N T < 5 + 0 0 87 -3,-1.0 2,-1.1 -4,-0.5 -3,-0.2 0.862 63.8 152.9 66.3 37.6 1.4 24.2 25.8 92 92 A K >< + 0 0 66 -5,-2.8 4,-2.1 1,-0.2 -1,-0.2 -0.684 10.3 166.9-102.8 79.4 -2.1 22.9 26.7 93 93 A Q H > + 0 0 77 -2,-1.1 4,-3.0 1,-0.2 5,-0.2 0.873 67.9 51.6 -71.3 -41.1 -1.8 22.7 30.4 94 94 A E H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 112.7 47.4 -60.2 -47.2 -5.4 22.2 31.6 95 95 A E H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 113.2 49.3 -59.2 -46.7 -5.9 19.4 29.2 96 96 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.945 112.9 46.5 -54.9 -52.3 -2.6 17.8 30.3 97 97 A D H X S+ 0 0 17 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.876 110.2 52.4 -64.8 -38.5 -3.5 18.1 33.9 98 98 A N H X S+ 0 0 26 -4,-2.5 -36,-1.9 -5,-0.2 4,-1.3 0.887 113.2 44.4 -65.1 -39.7 -7.0 16.7 33.5 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.902 114.3 48.5 -69.1 -43.7 -5.6 13.7 31.7 100 100 A W H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.918 107.2 56.2 -66.7 -37.5 -2.8 13.1 34.2 101 101 A R H X S+ 0 0 57 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.911 109.4 47.2 -58.6 -42.6 -5.2 13.4 37.1 102 102 A F H X>S+ 0 0 0 -4,-1.3 4,-2.9 -40,-0.3 5,-0.8 0.924 112.3 49.0 -62.5 -46.4 -7.3 10.6 35.7 103 103 A A H X>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-1.3 0.950 113.2 45.5 -61.1 -50.5 -4.3 8.4 35.0 104 104 A K H <5S+ 0 0 79 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 121.0 38.8 -64.9 -35.2 -2.8 8.8 38.5 105 105 A A H <5S+ 0 0 60 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.876 133.4 15.5 -79.3 -42.7 -6.2 8.3 40.2 106 106 A Y H <5S+ 0 0 47 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.712 125.3 44.1-115.3 -31.4 -7.8 5.6 38.1 107 107 A Q T < - 0 0 62 0, 0.0 3,-1.9 0, 0.0 10,-0.4 -0.133 23.4-125.0 -57.8 149.2 -1.7 0.6 43.9 111 111 A D T 3 S+ 0 0 93 1,-0.3 8,-0.1 8,-0.3 -2,-0.0 0.692 112.9 50.0 -66.3 -17.8 1.9 0.5 45.2 112 112 A N T 3 S+ 0 0 136 6,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.047 77.0 147.5-108.4 22.8 0.8 -2.2 47.7 113 113 A H < - 0 0 18 -3,-1.9 6,-0.2 1,-0.2 5,-0.1 -0.287 59.2-120.4 -52.4 142.7 -1.1 -4.4 45.2 114 114 A P S S+ 0 0 128 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.800 102.7 69.4 -61.6 -24.5 -0.7 -8.0 46.3 115 115 A D S >> S- 0 0 48 1,-0.2 3,-2.0 2,-0.0 4,-0.7 -0.840 74.3-156.9 -93.6 108.5 1.0 -8.8 43.0 116 116 A A G >4 S+ 0 0 53 -2,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.789 89.9 64.3 -55.9 -30.7 4.4 -7.1 43.1 117 117 A K G 34 S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.1 77,-0.0 0.709 104.9 45.5 -67.8 -18.2 4.6 -7.2 39.4 118 118 A K G X4 S+ 0 0 39 -3,-2.0 3,-1.8 -5,-0.1 -9,-0.3 0.523 80.2 126.1 -97.4 -10.7 1.6 -4.8 39.1 119 119 A Q T << S- 0 0 56 -3,-0.8 -8,-0.3 -4,-0.7 3,-0.1 -0.336 89.4 -10.2 -61.1 119.4 2.6 -2.4 41.8 120 120 A G T 3 S+ 0 0 2 -11,-1.3 -1,-0.3 -10,-0.4 2,-0.2 0.431 102.4 124.9 73.8 -0.6 2.6 1.1 40.4 121 121 A V < - 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