==== 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 1H14 . 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) . 15135.0 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 . 22 5.5 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 0.000 360.0 360.0 360.0 156.2 11.3 20.8 -1.0 2 2 A F - 0 0 24 1,-0.1 2,-1.2 356,-0.1 356,-0.1 -0.311 360.0-131.5 -58.7 127.3 11.8 17.5 0.8 3 3 A N + 0 0 65 1,-0.2 -1,-0.1 -2,-0.1 352,-0.0 -0.734 28.5 178.7 -81.3 98.0 15.1 17.3 2.6 4 4 A N + 0 0 82 -2,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.302 69.4 64.8 -86.8 15.1 16.3 13.9 1.5 5 5 A N S S- 0 0 113 0, 0.0 -1,-0.2 0, 0.0 351,-0.1 -0.511 77.3-165.2-133.5 64.3 19.5 14.1 3.3 6 6 A P - 0 0 6 0, 0.0 -2,-0.0 0, 0.0 288,-0.0 -0.189 27.9-100.9 -59.0 141.9 18.5 14.2 7.0 7 7 A S - 0 0 62 1,-0.1 291,-2.7 2,-0.1 4,-0.1 -0.177 9.9-140.4 -63.1 144.8 21.1 15.3 9.4 8 8 A S S S+ 0 0 78 289,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.506 90.7 75.9 -74.2 -11.1 23.2 12.9 11.5 9 9 A V S S- 0 0 70 288,-0.1 288,-0.4 3,-0.0 -2,-0.1 -0.931 85.2-132.5-103.4 129.5 22.9 15.4 14.3 10 10 A G > - 0 0 1 286,-0.7 4,-2.5 -2,-0.6 3,-0.4 -0.281 16.9-114.6 -81.0 160.6 19.5 15.5 15.9 11 11 A A H > S+ 0 0 3 283,-2.7 4,-2.5 1,-0.2 284,-0.2 0.791 113.8 65.1 -56.4 -31.6 17.2 18.4 16.8 12 12 A Y H 4 S+ 0 0 31 283,-2.2 -1,-0.2 282,-0.2 284,-0.1 0.917 111.8 34.1 -62.7 -38.9 17.7 17.5 20.5 13 13 A S H 4 S+ 0 0 90 282,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.884 128.5 34.0 -83.7 -40.6 21.4 18.4 20.2 14 14 A S H < S- 0 0 57 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.734 92.0-131.6 -87.2 -23.7 21.2 21.3 17.6 15 15 A G < + 0 0 54 -4,-2.5 2,-0.8 -5,-0.3 -4,-0.1 0.441 67.8 125.0 81.4 -4.3 17.9 22.9 18.5 16 16 A T - 0 0 102 -6,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -0.842 41.9-168.3 -93.6 111.2 16.9 22.9 14.8 17 17 A Y - 0 0 45 -2,-0.8 2,-0.1 -3,-0.1 278,-0.0 -0.818 18.2-127.1 -99.5 131.2 13.6 21.1 14.3 18 18 A R - 0 0 29 -2,-0.4 2,-0.6 374,-0.1 377,-0.2 -0.492 7.1-150.4 -68.4 151.2 12.5 20.2 10.8 19 19 A N > - 0 0 26 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.884 15.8-176.5-119.5 91.2 9.0 21.3 9.6 20 20 A L H > S+ 0 0 0 -2,-0.6 4,-1.9 372,-0.3 374,-0.2 0.896 79.3 55.3 -61.6 -40.9 8.3 18.5 7.2 21 21 A A H 4>S+ 0 0 0 372,-2.9 5,-2.5 1,-0.2 -1,-0.2 0.893 109.0 48.9 -62.7 -32.0 5.0 20.0 6.0 22 22 A Q H >45S+ 0 0 128 -3,-0.4 3,-2.0 371,-0.3 -2,-0.2 0.907 106.9 55.4 -73.3 -42.6 6.8 23.2 5.2 23 23 A E H 3<5S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.849 106.8 52.2 -52.9 -34.4 9.5 21.2 3.3 24 24 A M T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.214 122.5-107.2 -93.3 13.0 6.6 19.7 1.2 25 25 A G T < 5 + 0 0 59 -3,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.685 64.1 154.2 81.5 17.9 5.2 23.1 0.4 26 26 A K < - 0 0 59 -5,-2.5 2,-0.2 -6,-0.2 3,-0.2 -0.523 28.1-147.8 -81.4 161.5 2.2 23.2 2.5 27 27 A T S S+ 0 0 109 1,-0.2 -1,-0.0 -2,-0.1 -5,-0.0 -0.744 70.3 27.1-122.4 162.2 0.4 26.2 3.9 28 28 A N S > S+ 0 0 131 -2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.861 73.0 155.9 54.3 41.4 -1.5 27.1 7.0 29 29 A I H > + 0 0 15 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.946 65.8 43.6 -67.4 -51.4 0.4 24.4 8.8 30 30 A Q H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 110.6 56.7 -67.8 -35.4 0.2 25.7 12.4 31 31 A Q H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.938 108.4 47.8 -57.1 -43.9 -3.5 26.5 11.9 32 32 A K H X S+ 0 0 46 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.904 111.5 49.9 -66.3 -41.6 -4.2 22.8 10.9 33 33 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.938 112.8 48.0 -58.9 -46.7 -2.1 21.6 13.9 34 34 A N H X S+ 0 0 72 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.898 112.0 47.5 -67.1 -42.5 -4.1 23.8 16.2 35 35 A S H X S+ 0 0 52 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.868 107.0 58.0 -69.0 -29.9 -7.5 22.8 14.9 36 36 A T H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.944 111.5 42.0 -60.6 -50.2 -6.5 19.2 15.1 37 37 A F H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.951 113.6 52.8 -59.8 -49.2 -6.0 19.6 18.8 38 38 A D H < S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 111.9 44.3 -58.6 -36.9 -9.0 21.7 19.3 39 39 A N H >< S+ 0 0 56 -4,-2.6 3,-0.9 1,-0.2 5,-0.3 0.873 115.0 47.2 -78.1 -34.1 -11.3 19.2 17.6 40 40 A M H 3< S+ 0 0 4 -4,-2.2 9,-2.6 -5,-0.3 10,-1.7 0.867 121.0 38.8 -71.7 -31.6 -9.8 16.2 19.4 41 41 A F T 3< S+ 0 0 14 -4,-2.9 2,-0.3 -5,-0.2 -1,-0.2 -0.141 102.7 93.6-108.4 32.8 -10.0 18.1 22.8 42 42 A G S < S- 0 0 17 -3,-0.9 2,-2.0 -5,-0.0 3,-0.4 -0.899 84.2-109.9-126.2 154.9 -13.4 19.8 22.2 43 43 A Y S S+ 0 0 149 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.314 78.9 111.9 -86.0 67.1 -16.8 18.8 23.1 44 44 A N - 0 0 49 -2,-2.0 -1,-0.2 -5,-0.3 -4,-0.1 0.482 67.3-139.5-114.1 -10.2 -18.1 18.0 19.6 45 45 A N S S+ 0 0 113 -3,-0.4 331,-0.1 1,-0.1 -2,-0.1 0.670 86.4 82.7 52.1 28.3 -18.6 14.2 19.7 46 46 A T S S- 0 0 65 -7,-0.2 330,-0.6 329,-0.1 -1,-0.1 0.736 112.4 -1.8-120.9 -76.7 -17.2 14.1 16.2 47 47 A Q S S+ 0 0 40 -8,-0.2 -8,-0.1 328,-0.2 -4,-0.1 0.609 104.2 128.1 -84.7 -18.4 -13.4 14.2 16.2 48 48 A Q + 0 0 9 1,-0.1 -8,-0.2 -6,-0.1 -7,-0.2 -0.066 20.9 156.3 -52.7 135.8 -13.5 14.3 20.1 49 49 A L + 0 0 1 -9,-2.6 16,-2.6 1,-0.1 2,-0.6 0.481 54.6 85.7-125.9 -14.1 -11.5 11.9 22.1 50 50 A Y E +A 64 0A 11 -10,-1.7 14,-0.2 14,-0.2 -1,-0.1 -0.845 57.7 173.7 -95.5 117.6 -11.1 13.9 25.4 51 51 A Y E -A 63 0A 21 12,-2.7 12,-2.4 -2,-0.6 2,-0.1 -0.943 29.6-116.2-130.0 142.9 -14.1 13.4 27.7 52 52 A P E -A 62 0A 48 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.485 19.7-147.8 -74.7 146.8 -14.9 14.5 31.2 53 53 A Y E +A 61 0A 4 8,-3.0 7,-2.4 -2,-0.1 8,-1.4 -0.984 21.7 176.9-115.0 121.6 -15.4 12.0 34.0 54 54 A T E -A 59 0A 72 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.896 19.7-152.0-123.1 153.7 -17.8 13.0 36.8 55 55 A E E > S-A 58 0A 50 3,-2.5 3,-2.1 -2,-0.3 77,-0.1 -0.982 81.6 -19.8-128.5 117.0 -19.1 11.2 39.8 56 56 A N T 3 S- 0 0 143 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.867 129.2 -51.6 52.0 39.6 -22.6 12.0 41.1 57 57 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.437 112.7 120.5 80.7 1.0 -22.4 15.3 39.2 58 58 A V E < -A 55 0A 78 -3,-2.1 -3,-2.5 1,-0.0 -1,-0.2 -0.877 66.0-122.0-100.9 123.9 -19.0 16.3 40.7 59 59 A Y E +A 54 0A 95 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.398 38.3 165.1 -63.5 133.0 -16.3 16.9 38.1 60 60 A K E - 0 0 74 -7,-2.4 2,-0.3 1,-0.4 -6,-0.2 0.717 50.1 -54.3-114.6 -57.2 -13.2 14.7 38.7 61 61 A A E -A 53 0A 1 -8,-1.4 -8,-3.0 40,-0.1 -1,-0.4 -0.852 50.3 -98.2-172.0-176.7 -10.8 14.5 35.7 62 62 A H E -A 52 0A 7 36,-1.9 2,-0.3 -10,-0.3 40,-0.3 -0.901 26.2-168.0-123.5 161.1 -10.7 13.7 32.0 63 63 A Y E -A 51 0A 15 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.6 -0.961 29.3-112.9-141.5 162.7 -9.8 10.7 29.9 64 64 A I E -A 50 0A 0 -2,-0.3 2,-0.6 -14,-0.2 12,-0.6 -0.841 40.7-134.5 -93.9 121.8 -9.1 9.8 26.3 65 65 A K E -B 75 0B 38 -16,-2.6 2,-1.7 -2,-0.6 10,-0.2 -0.709 6.0-148.6 -88.0 120.2 -11.9 7.4 25.3 66 66 A A E -B 74 0B 2 8,-2.4 8,-2.0 -2,-0.6 -1,-0.1 -0.608 24.0-151.1 -86.3 80.4 -11.0 4.3 23.4 67 67 A I - 0 0 22 -2,-1.7 313,-0.3 6,-0.2 314,-0.2 -0.226 18.8-178.8 -55.6 131.5 -14.2 4.2 21.4 68 68 A N > + 0 0 32 1,-0.1 4,-1.8 312,-0.1 3,-0.4 -0.787 20.5 177.9-152.4 97.9 -15.0 0.6 20.6 69 69 A P T 4 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.802 84.6 54.3 -67.4 -35.9 -18.0 -0.5 18.5 70 70 A D T 4 S+ 0 0 94 1,-0.2 3,-0.0 2,-0.1 -2,-0.0 0.796 129.6 6.0 -78.2 -12.8 -17.1 -4.1 18.6 71 71 A E T 4 S- 0 0 65 -3,-0.4 -1,-0.2 1,-0.0 0, 0.0 0.347 111.8 -75.5-160.9 6.5 -16.9 -4.5 22.4 72 72 A G < - 0 0 35 -4,-1.8 -2,-0.1 2,-0.0 -1,-0.0 0.318 59.4 -74.4 96.2 137.6 -17.9 -1.4 24.4 73 73 A D + 0 0 76 -4,-0.1 55,-0.4 -6,-0.1 -6,-0.2 -0.292 56.1 176.5 -65.9 147.2 -15.9 1.7 24.9 74 74 A D E -B 66 0B 4 -8,-2.0 -8,-2.4 53,-0.1 2,-0.4 -0.697 27.2-117.1-141.3-176.5 -13.0 1.5 27.2 75 75 A I E -BC 65 126B 4 51,-2.1 51,-2.6 -2,-0.2 2,-0.3 -0.998 29.5-166.8-136.5 126.9 -10.1 3.7 28.5 76 76 A R E > - C 0 125B 51 -12,-0.6 4,-2.0 -2,-0.4 -12,-0.2 -0.858 30.4-133.2-122.7 148.9 -6.5 2.9 27.9 77 77 A T H > S+ 0 0 0 47,-1.0 4,-2.6 -2,-0.3 5,-0.3 0.862 105.3 59.8 -65.9 -36.0 -3.1 4.0 29.2 78 78 A E H > S+ 0 0 20 46,-0.3 4,-2.4 1,-0.2 5,-0.2 0.978 110.3 40.0 -55.1 -53.9 -1.7 4.3 25.7 79 79 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 114.7 53.2 -64.7 -38.2 -4.3 6.9 24.6 80 80 A Q H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.931 112.0 44.3 -60.7 -46.1 -4.2 8.7 27.9 81 81 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.873 112.6 51.9 -72.9 -35.8 -0.4 9.1 27.8 82 82 A W H X S+ 0 0 9 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.902 107.1 54.0 -63.1 -40.1 -0.5 10.1 24.2 83 83 A G H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.910 108.7 48.5 -61.2 -45.1 -3.1 12.8 25.0 84 84 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.906 109.4 52.9 -59.9 -38.6 -0.9 14.2 27.7 85 85 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.910 109.8 48.2 -63.0 -43.7 2.0 14.2 25.3 86 86 A A H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.922 110.4 51.8 -61.8 -45.3 0.0 16.2 22.7 87 87 A A H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.5 0.907 108.4 50.0 -60.6 -46.0 -1.2 18.7 25.3 88 88 A V H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.896 106.5 55.6 -65.1 -32.0 2.3 19.5 26.6 89 89 A M H 3<5S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 113.5 40.8 -68.5 -26.8 3.7 20.0 23.1 90 90 A L T 3<5S- 0 0 23 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.336 114.8-112.5-106.0 8.3 1.0 22.6 22.5 91 91 A N T < 5 + 0 0 87 -3,-1.1 2,-0.9 -4,-0.5 -3,-0.2 0.877 63.6 152.1 68.4 39.7 1.2 24.3 25.9 92 92 A K >< + 0 0 60 -5,-2.8 4,-2.0 1,-0.2 -1,-0.2 -0.718 12.4 169.3-105.3 84.4 -2.3 23.0 26.9 93 93 A Q H > + 0 0 80 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.889 68.6 50.8 -74.0 -41.6 -2.0 22.7 30.7 94 94 A E H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 111.7 49.1 -59.3 -48.1 -5.5 22.2 31.8 95 95 A E H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.922 113.7 47.9 -56.9 -47.9 -6.0 19.4 29.4 96 96 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.943 113.0 46.3 -52.5 -55.0 -2.8 17.9 30.5 97 97 A D H X S+ 0 0 8 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.878 109.8 53.6 -63.3 -37.7 -3.6 18.2 34.2 98 98 A N H X S+ 0 0 15 -4,-2.7 -36,-1.9 -5,-0.2 4,-1.3 0.897 113.1 44.1 -65.2 -39.2 -7.1 16.8 33.7 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.913 114.4 49.0 -72.5 -42.8 -5.7 13.7 32.0 100 100 A W H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.932 106.9 55.5 -67.0 -37.3 -2.9 13.2 34.5 101 101 A R H X S+ 0 0 55 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.908 109.2 48.4 -57.9 -43.3 -5.2 13.5 37.4 102 102 A F H X>S+ 0 0 0 -4,-1.3 4,-2.8 -40,-0.3 5,-0.8 0.941 111.5 48.8 -60.5 -44.8 -7.3 10.7 36.0 103 103 A A H X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-1.4 0.946 113.1 45.7 -65.8 -50.6 -4.4 8.5 35.4 104 104 A K H <5S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 120.5 39.9 -61.3 -37.7 -2.9 8.9 38.8 105 105 A A H <5S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.894 133.3 13.8 -76.3 -43.7 -6.3 8.4 40.5 106 106 A Y H <5S+ 0 0 45 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.703 125.2 45.6-116.4 -30.6 -7.8 5.7 38.6 107 107 A Q T < - 0 0 60 0, 0.0 3,-1.7 0, 0.0 10,-0.5 -0.182 23.9-124.7 -56.4 150.0 -1.6 0.7 44.4 111 111 A D T 3 S+ 0 0 97 1,-0.3 8,-0.1 8,-0.3 -2,-0.0 0.672 112.3 50.0 -67.0 -20.3 2.0 0.5 45.5 112 112 A N T 3 S+ 0 0 134 6,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.010 77.1 148.8-109.0 27.5 1.0 -2.2 48.0 113 113 A H < - 0 0 17 -3,-1.7 6,-0.2 1,-0.1 5,-0.1 -0.305 58.2-119.8 -53.7 144.9 -0.9 -4.3 45.5 114 114 A P S S+ 0 0 127 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.794 102.7 67.7 -64.2 -26.4 -0.6 -8.0 46.6 115 115 A D S >> S- 0 0 49 1,-0.2 3,-2.1 2,-0.0 4,-0.7 -0.822 75.5-155.1 -91.4 111.1 1.1 -8.9 43.3 116 116 A A G >4 S+ 0 0 53 -2,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.836 90.5 64.0 -56.8 -28.7 4.5 -7.2 43.3 117 117 A K G 34 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 77,-0.0 0.654 104.6 46.1 -68.4 -21.8 4.6 -7.1 39.6 118 118 A K G X4 S+ 0 0 39 -3,-2.1 3,-1.7 -5,-0.1 -1,-0.3 0.495 79.7 126.5 -96.4 -7.6 1.6 -4.8 39.5 119 119 A Q T << S- 0 0 55 -3,-0.9 -8,-0.3 -4,-0.7 3,-0.1 -0.348 89.3 -11.6 -60.9 116.6 2.7 -2.4 42.2 120 120 A G T 3 S+ 0 0 2 -11,-1.1 -1,-0.3 -10,-0.5 2,-0.1 0.427 102.2 124.5 73.7 -0.5 2.6 1.2 40.8 121 121 A V < - 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