==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-OCT-02 1J01 . COMPND 2 MOLECULE: BETA-1,4-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR S.J.WILLIAMS,V.NOTENBOOM,J.WICKI,D.R.ROSE,S.G.WITHERS . 312 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 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 0.6 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.9 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 1 1 0 2 1 0 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A A 0 0 95 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 126.1 42.5 49.6 46.2 2 2 A T + 0 0 107 1,-0.1 2,-0.3 307,-0.0 307,-0.0 0.528 360.0 38.5-108.0 -13.2 39.4 47.8 47.3 3 3 A T S > S- 0 0 25 1,-0.1 4,-1.7 306,-0.1 5,-0.1 -0.960 77.2-122.6-137.1 154.9 36.9 50.6 47.0 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.782 111.3 65.3 -65.3 -24.5 36.4 53.5 44.5 5 5 A K H > S+ 0 0 69 30,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.958 105.4 37.1 -63.2 -54.2 36.7 55.7 47.5 6 6 A E H > S+ 0 0 63 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.811 114.8 57.6 -71.6 -26.1 40.3 54.9 48.3 7 7 A A H X S+ 0 0 10 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.953 112.8 39.2 -65.7 -49.0 41.1 54.8 44.6 8 8 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 3,-0.3 0.885 114.5 55.9 -66.7 -38.2 39.9 58.3 44.2 9 9 A D H ><5S+ 0 0 71 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.934 106.3 50.2 -58.3 -47.0 41.5 59.2 47.6 10 10 A G H 3<5S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.763 106.7 55.0 -64.0 -25.8 44.8 58.0 46.2 11 11 A A T 3<5S- 0 0 22 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.336 114.3-116.6 -89.4 7.2 44.5 60.1 43.1 12 12 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.834 79.4 110.8 61.9 33.1 44.0 63.2 45.2 13 13 A R < - 0 0 38 -5,-2.5 2,-0.3 -6,-0.1 256,-0.2 -0.809 67.5-104.8-133.6 172.7 40.5 63.5 43.8 14 14 A D E -a 269 0A 26 254,-2.3 256,-2.4 -2,-0.3 2,-0.4 -0.766 19.4-174.3-101.7 144.1 36.8 63.3 44.7 15 15 A F E +a 270 0A 0 -2,-0.3 23,-2.5 254,-0.2 24,-1.0 -0.920 26.2 166.2-134.8 105.5 34.4 60.5 43.8 16 16 A G E -ab 271 39A 0 254,-1.9 256,-2.7 -2,-0.4 2,-0.3 -0.624 24.4-147.5-119.2 178.9 30.9 61.4 44.9 17 17 A F E -ab 272 40A 0 22,-1.2 24,-2.0 254,-0.2 2,-0.6 -0.961 28.0-106.3-142.4 157.8 27.2 60.4 44.5 18 18 A A E - b 0 41A 1 254,-1.2 2,-0.4 -2,-0.3 24,-0.2 -0.774 43.1-146.3 -87.5 122.6 23.8 62.1 44.4 19 19 A L E - b 0 42A 0 22,-3.6 24,-2.0 -2,-0.6 25,-0.6 -0.749 21.7-164.5-100.9 138.5 22.1 61.3 47.7 20 20 A D > - 0 0 41 -2,-0.4 3,-2.0 22,-0.2 4,-0.4 -0.968 19.0-151.6-113.0 105.3 18.4 60.8 48.5 21 21 A P G > S+ 0 0 19 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.787 90.9 64.6 -47.3 -37.5 18.3 61.1 52.3 22 22 A N G > S+ 0 0 125 1,-0.3 3,-1.0 2,-0.1 -3,-0.0 0.786 94.5 60.8 -60.4 -29.2 15.3 58.8 52.6 23 23 A R G X S+ 0 0 85 -3,-2.0 3,-2.5 1,-0.2 7,-0.4 0.605 78.6 85.2 -76.3 -12.1 17.4 55.9 51.2 24 24 A L G < S+ 0 0 13 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.720 81.8 63.7 -62.9 -18.2 19.9 56.0 54.1 25 25 A S G < S+ 0 0 116 -3,-1.0 2,-0.8 -4,-0.2 -1,-0.3 0.487 83.3 90.5 -81.8 -4.8 17.4 53.8 56.0 26 26 A E S <> S- 0 0 46 -3,-2.5 4,-2.6 1,-0.2 5,-0.2 -0.860 74.5-149.4 -95.5 108.0 18.1 51.2 53.3 27 27 A A H > S+ 0 0 80 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.850 91.8 44.3 -43.8 -57.3 21.0 49.2 54.6 28 28 A Q H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 113.8 52.8 -60.6 -40.3 22.7 48.1 51.3 29 29 A Y H > S+ 0 0 8 1,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.954 112.1 44.6 -59.0 -51.3 22.3 51.7 50.0 30 30 A K H X S+ 0 0 77 -4,-2.6 4,-3.4 -7,-0.4 5,-0.2 0.886 108.6 57.5 -61.8 -40.0 23.9 53.1 53.1 31 31 A A H X S+ 0 0 46 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.891 112.6 40.3 -58.9 -41.7 26.7 50.5 53.0 32 32 A I H X S+ 0 0 9 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.940 115.9 49.9 -72.2 -49.4 27.7 51.5 49.5 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.934 113.7 47.8 -53.2 -48.5 27.3 55.3 50.1 34 34 A D H < S+ 0 0 52 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.862 124.2 28.4 -61.5 -40.2 29.4 55.0 53.3 35 35 A S H < S+ 0 0 50 -4,-1.6 -30,-0.4 -5,-0.2 -2,-0.2 0.707 116.7 49.4-100.9 -21.0 32.2 53.0 51.7 36 36 A E H < S+ 0 0 13 -4,-3.2 2,-0.3 -32,-0.1 -3,-0.2 0.503 102.8 53.0-101.0 -2.7 32.5 53.8 48.0 37 37 A F < - 0 0 0 -4,-0.8 -21,-0.2 -5,-0.3 -32,-0.1 -0.922 43.6-168.6-133.9 157.9 32.5 57.6 47.9 38 38 A N S S+ 0 0 17 -23,-2.5 38,-2.5 -2,-0.3 2,-0.3 0.235 80.1 49.5-123.3 9.7 34.3 60.6 49.5 39 39 A L E -bc 16 76A 0 -24,-1.0 -22,-1.2 36,-0.3 2,-0.3 -0.990 62.3-165.0-146.8 149.4 31.9 63.3 48.3 40 40 A V E -bc 17 77A 0 36,-2.1 38,-2.7 -2,-0.3 2,-0.3 -0.999 4.6-175.0-141.3 142.9 28.1 63.8 48.5 41 41 A V E -bc 18 78A 2 -24,-2.0 -22,-3.6 -2,-0.3 2,-0.6 -0.966 35.2-108.9-132.9 147.7 25.6 66.0 46.8 42 42 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.3 -22,-0.2 -0.690 20.4-156.3 -78.3 119.0 21.8 66.3 47.4 43 43 A E S S- 0 0 27 -24,-2.0 -1,-0.2 -2,-0.6 -23,-0.1 0.868 87.9 -18.9 -61.9 -33.6 20.1 64.9 44.3 44 44 A N S > S+ 0 0 66 -25,-0.6 3,-2.0 -3,-0.1 6,-0.3 0.533 113.3 92.7-143.6 -29.2 17.1 67.0 45.2 45 45 A A T 3 S+ 0 0 7 -26,-0.4 18,-0.5 1,-0.3 19,-0.1 0.610 92.9 43.7 -53.0 -21.1 17.1 68.3 48.8 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.271 86.8 112.5-111.6 11.5 18.9 71.6 48.1 47 47 A K S <> S- 0 0 10 -3,-2.0 4,-1.8 1,-0.1 3,-0.3 -0.305 81.6-101.6 -76.8 167.8 17.0 72.7 45.0 48 48 A W H > S+ 0 0 8 33,-0.3 4,-3.0 38,-0.2 3,-0.4 0.930 119.6 51.3 -56.6 -53.1 14.7 75.7 45.0 49 49 A D H 4 S+ 0 0 61 38,-1.6 -1,-0.2 1,-0.2 39,-0.1 0.817 115.2 44.8 -56.9 -30.8 11.4 73.8 45.2 50 50 A A H 4 S+ 0 0 31 -3,-0.3 -1,-0.2 -6,-0.3 12,-0.2 0.748 120.1 38.2 -86.0 -25.2 12.7 71.9 48.2 51 51 A T H < S+ 0 0 0 -4,-1.8 8,-2.2 -3,-0.4 -2,-0.2 0.728 128.8 23.9 -98.9 -26.5 14.3 74.8 50.1 52 52 A E < + 0 0 0 -4,-3.0 6,-0.2 6,-0.3 -1,-0.2 -0.528 62.6 163.8-139.8 70.1 11.8 77.6 49.5 53 53 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.802 77.9 25.3 -56.8 -33.7 8.4 76.1 48.8 54 54 A S B > S-I 57 0B 70 3,-1.0 3,-2.3 -3,-0.1 0, 0.0 -0.957 109.9 -79.7-130.2 149.2 6.6 79.4 49.5 55 55 A Q T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.227 114.1 -1.4 -53.9 129.4 8.2 82.8 49.1 56 56 A N T 3 S+ 0 0 108 1,-0.1 2,-0.6 47,-0.1 -1,-0.3 0.610 107.9 109.7 65.5 13.7 10.4 83.7 52.1 57 57 A S B < -I 54 0B 64 -3,-2.3 -3,-1.0 2,-0.0 2,-0.3 -0.929 53.7-163.9-121.9 105.0 9.5 80.4 53.8 58 58 A F - 0 0 51 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.3 -0.667 14.7-164.2 -96.5 146.2 12.5 78.1 53.8 59 59 A S + 0 0 58 -8,-2.2 4,-0.3 -2,-0.3 3,-0.2 -0.862 18.8 162.1-127.4 94.9 12.5 74.3 54.4 60 60 A F > + 0 0 35 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.360 45.0 103.1 -96.4 5.4 16.0 73.0 55.3 61 61 A G H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 86.7 38.8 -52.0 -58.0 15.1 69.7 56.8 62 62 A A H > S+ 0 0 50 -12,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 118.0 50.2 -61.4 -44.6 16.0 67.5 53.8 63 63 A G H > S+ 0 0 0 -18,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.886 107.9 53.0 -62.8 -39.4 19.1 69.6 53.0 64 64 A D H X S+ 0 0 58 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.859 105.0 55.4 -64.4 -35.5 20.3 69.4 56.6 65 65 A R H X S+ 0 0 108 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.920 109.6 46.4 -62.8 -43.9 20.0 65.6 56.6 66 66 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.911 113.9 48.6 -63.2 -43.9 22.2 65.5 53.5 67 67 A A H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 111.6 49.3 -62.5 -43.1 24.7 67.9 55.1 68 68 A S H X S+ 0 0 54 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.895 106.5 55.9 -64.6 -40.5 24.7 65.9 58.4 69 69 A Y H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.906 109.2 47.9 -58.3 -40.9 25.3 62.7 56.5 70 70 A A H X>S+ 0 0 2 -4,-1.7 5,-2.8 2,-0.2 4,-0.5 0.935 115.6 42.4 -65.2 -48.3 28.4 64.3 54.9 71 71 A A H ><5S+ 0 0 80 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.890 113.5 53.9 -66.2 -40.0 29.8 65.6 58.2 72 72 A D H 3<5S+ 0 0 128 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.783 118.1 33.7 -66.3 -30.2 29.0 62.4 60.0 73 73 A T H 3<5S- 0 0 47 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.302 112.0-112.9-108.7 7.4 30.8 60.2 57.5 74 74 A G T <<5 + 0 0 69 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.845 65.1 144.7 67.2 37.2 33.6 62.6 56.7 75 75 A K < - 0 0 13 -5,-2.8 -36,-0.3 -6,-0.2 -1,-0.2 -0.774 55.1-105.4-106.6 152.9 32.7 63.3 53.1 76 76 A E E -c 39 0A 52 -38,-2.5 -36,-2.1 -2,-0.3 2,-0.5 -0.436 36.1-132.4 -69.5 150.4 33.1 66.5 51.2 77 77 A L E -c 40 0A 7 41,-0.4 43,-2.3 -38,-0.2 44,-0.8 -0.939 18.1-165.8-113.0 127.0 29.7 68.3 50.6 78 78 A Y E -cd 41 121A 3 -38,-2.7 -36,-0.7 -2,-0.5 2,-0.5 -0.927 15.0-136.7-112.0 131.9 28.7 69.7 47.2 79 79 A G E - d 0 122A 0 42,-3.6 44,-2.3 -2,-0.4 2,-0.3 -0.755 13.7-153.2 -95.8 129.6 25.8 72.1 46.8 80 80 A H E - d 0 123A 2 -2,-0.5 -34,-0.5 1,-0.2 44,-0.1 -0.952 53.5 -12.2-144.1 117.4 23.2 71.7 44.0 81 81 A T E + 0 0 1 42,-0.6 -33,-0.3 -2,-0.3 -1,-0.2 0.631 35.7 163.6-153.1 146.4 21.8 74.1 43.1 82 82 A L E S+ 0 0 1 41,-1.7 2,-0.5 1,-0.2 43,-0.2 0.954 87.8 26.4 -72.4 -54.6 21.0 77.8 43.8 83 83 A V E S+ d 0 125A 1 41,-2.6 43,-2.4 40,-0.3 2,-0.3 -0.953 73.6 142.9-118.9 114.9 19.6 79.2 40.5 84 84 A W E - d 0 126A 29 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.991 47.0-138.5-151.0 140.5 18.0 76.8 38.0 85 85 A H S S+ 0 0 29 41,-0.5 3,-0.5 -2,-0.3 2,-0.2 0.756 85.7 74.2 -71.3 -24.7 15.0 77.1 35.6 86 86 A S S S+ 0 0 46 1,-0.2 -38,-0.2 53,-0.1 -2,-0.1 -0.549 96.4 20.2 -91.3 156.4 13.7 73.6 36.5 87 87 A Q S S+ 0 0 60 1,-0.2 -38,-1.6 -2,-0.2 -1,-0.2 0.915 85.0 152.2 52.2 45.4 12.0 72.6 39.7 88 88 A L - 0 0 7 -3,-0.5 -1,-0.2 -40,-0.2 5,-0.1 -0.944 47.5-116.1-108.7 118.3 11.2 76.3 40.3 89 89 A P >> - 0 0 18 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.040 19.4-118.6 -50.1 153.7 8.0 76.8 42.4 90 90 A D H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.852 110.7 64.9 -65.9 -35.4 5.0 78.6 40.7 91 91 A W H 34 S+ 0 0 42 -38,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.859 106.6 44.5 -57.2 -33.2 5.1 81.5 43.2 92 92 A A H X4 S+ 0 0 0 -3,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.905 109.8 53.8 -75.8 -43.3 8.5 82.4 41.8 93 93 A K H 3< S+ 0 0 100 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.713 105.0 57.8 -63.6 -19.4 7.4 81.9 38.1 94 94 A N T 3< S+ 0 0 118 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.627 90.4 87.7 -86.4 -14.7 4.6 84.4 38.9 95 95 A L < - 0 0 32 -3,-1.4 2,-0.3 -4,-0.4 49,-0.0 -0.463 58.7-172.7 -82.0 158.0 6.9 87.2 39.9 96 96 A N >> - 0 0 104 -2,-0.1 4,-1.2 49,-0.0 3,-1.0 -0.934 41.4 -12.8-145.1 168.1 8.4 89.6 37.4 97 97 A G H 3> S+ 0 0 41 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.011 127.9 1.6 41.8-134.1 10.9 92.4 37.1 98 98 A S H 3> S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.866 133.6 56.1 -47.6 -47.2 12.1 93.8 40.5 99 99 A A H <> S+ 0 0 48 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.922 110.6 43.5 -54.5 -49.5 10.0 91.3 42.4 100 100 A F H X S+ 0 0 1 -4,-1.2 4,-2.6 -3,-0.4 3,-0.2 0.958 113.0 50.8 -62.7 -53.4 11.6 88.3 40.7 101 101 A E H X S+ 0 0 68 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.937 111.2 49.9 -48.6 -51.6 15.2 89.7 40.9 102 102 A S H X S+ 0 0 78 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.854 110.6 49.1 -57.0 -39.6 14.7 90.3 44.6 103 103 A A H X S+ 0 0 2 -4,-1.8 4,-2.5 -3,-0.2 -1,-0.2 0.861 111.3 50.0 -70.8 -35.5 13.4 86.8 45.1 104 104 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.963 113.1 44.7 -66.9 -51.9 16.3 85.3 43.2 105 105 A V H X S+ 0 0 47 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.900 114.9 50.4 -57.8 -41.7 18.9 87.3 45.2 106 106 A N H X S+ 0 0 33 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.907 108.7 50.8 -65.1 -41.9 17.1 86.4 48.4 107 107 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.953 112.1 47.3 -60.1 -49.4 17.0 82.7 47.6 108 108 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.938 114.5 46.5 -55.4 -52.4 20.7 82.6 46.9 109 109 A T H X S+ 0 0 39 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.912 114.5 45.4 -59.2 -48.7 21.6 84.5 50.0 110 110 A K H X S+ 0 0 91 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.903 118.1 41.5 -65.7 -43.4 19.4 82.5 52.4 111 111 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.918 116.2 48.6 -71.8 -43.6 20.4 79.1 51.1 112 112 A A H X S+ 0 0 0 -4,-2.7 4,-0.5 -5,-0.3 -2,-0.2 0.948 114.5 46.9 -59.7 -49.3 24.1 80.0 50.8 113 113 A D H >< S+ 0 0 68 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.923 107.5 56.4 -58.9 -47.5 24.1 81.4 54.3 114 114 A H H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.879 116.8 34.2 -54.5 -41.6 22.2 78.4 55.8 115 115 A F H >X S+ 0 0 0 -4,-1.8 3,-2.5 -3,-0.2 4,-2.5 0.329 85.4 139.2 -98.1 8.4 24.9 75.9 54.5 116 116 A E T << S+ 0 0 81 -3,-1.2 4,-0.1 -4,-0.5 -3,-0.1 -0.261 73.9 17.5 -55.1 130.8 27.9 78.2 54.9 117 117 A G T 34 S+ 0 0 75 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.250 125.2 60.5 90.2 -13.7 30.8 76.4 56.3 118 118 A K T <4 S+ 0 0 131 -3,-2.5 2,-0.5 1,-0.2 -41,-0.4 0.777 90.6 63.0-109.0 -54.1 29.3 73.0 55.4 119 119 A V < - 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