==== 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 ISOMERASE 23-JAN-04 1V9C . COMPND 2 MOLECULE: PRECORRIN-8X METHYL MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.INAGAKI,T.H.TAHIROV,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 404 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 33 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 3 1 2 1 2 2 2 5 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 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 0 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 6 A R > 0 0 247 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-168.8 24.8 11.6 12.1 2 7 A A T >> + 0 0 42 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.450 360.0 101.2 -79.3 -2.1 23.6 8.5 13.9 3 8 A I H 3> S+ 0 0 50 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.863 76.2 61.1 -49.0 -36.5 25.2 6.5 11.1 4 9 A E H <> S+ 0 0 73 -3,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.941 105.0 46.7 -55.3 -50.1 27.9 6.0 13.7 5 10 A E H <> S+ 0 0 130 -3,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.942 113.8 44.7 -58.6 -54.6 25.4 4.3 15.9 6 11 A E H X S+ 0 0 83 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.813 109.9 57.2 -62.5 -30.4 23.9 2.0 13.3 7 12 A S H X S+ 0 0 4 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.911 107.2 47.4 -66.1 -42.6 27.4 1.1 12.1 8 13 A F H X S+ 0 0 27 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.851 108.2 56.9 -66.6 -34.3 28.3 -0.1 15.5 9 14 A R H X S+ 0 0 135 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.954 108.5 45.4 -59.6 -51.5 25.1 -2.1 15.6 10 15 A I H X S+ 0 0 39 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.887 112.7 53.7 -59.8 -39.6 26.1 -3.9 12.5 11 16 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 112.2 40.8 -61.9 -53.1 29.6 -4.4 14.0 12 17 A D H >X S+ 0 0 62 -4,-3.1 3,-1.1 2,-0.2 4,-0.9 0.996 117.5 48.1 -58.5 -62.3 28.4 -6.0 17.2 13 18 A Q H 3< S+ 0 0 162 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.846 121.8 36.7 -43.5 -44.0 25.7 -8.1 15.5 14 19 A E H 3< S+ 0 0 101 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.623 95.4 87.6 -88.1 -15.4 28.3 -9.2 12.8 15 20 A A H << S- 0 0 4 -4,-2.0 -1,-0.2 -3,-1.1 -2,-0.2 0.889 73.1-164.9 -50.9 -49.0 31.3 -9.4 15.2 16 21 A G < + 0 0 47 -4,-0.9 2,-0.7 -3,-0.2 -1,-0.2 -0.740 51.6 6.5 97.5-145.9 30.6 -13.0 16.2 17 22 A P S S+ 0 0 116 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.661 75.1 166.6 -78.8 111.4 32.2 -14.6 19.3 18 23 A H - 0 0 75 -2,-0.7 2,-0.6 2,-0.1 -2,-0.1 -0.988 26.2-163.7-132.8 136.0 34.2 -12.0 21.3 19 24 A G + 0 0 73 -2,-0.4 2,-0.4 22,-0.2 0, 0.0 -0.744 38.5 129.7-119.1 85.3 35.7 -12.1 24.7 20 25 A F - 0 0 38 -2,-0.6 5,-0.2 2,-0.0 -2,-0.1 -0.999 60.6-100.6-136.9 137.1 36.5 -8.6 25.9 21 26 A S >> - 0 0 47 -2,-0.4 4,-2.1 1,-0.1 3,-1.9 -0.132 42.8-102.7 -52.6 148.0 35.7 -6.8 29.1 22 27 A P T 34 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 176,-0.0 0.765 124.3 48.9 -43.6 -30.0 32.7 -4.3 28.9 23 28 A L T 34 S+ 0 0 32 1,-0.1 4,-0.2 2,-0.1 170,-0.1 0.716 114.3 41.2 -86.1 -23.0 35.3 -1.5 28.9 24 29 A E T <> S+ 0 0 41 -3,-1.9 4,-1.7 2,-0.1 3,-0.5 0.634 97.9 70.7-101.6 -15.3 37.6 -2.9 26.2 25 30 A W H X S+ 0 0 15 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.947 93.2 59.8 -63.9 -45.1 35.1 -4.2 23.7 26 31 A P H > S+ 0 0 21 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.770 105.1 51.3 -51.9 -29.0 34.2 -0.6 22.8 27 32 A V H > S+ 0 0 0 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.916 112.4 43.3 -73.7 -47.7 37.8 -0.1 21.8 28 33 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.864 111.5 55.0 -66.7 -36.1 38.0 -3.2 19.5 29 34 A R H X S+ 0 0 56 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.959 107.9 48.7 -61.2 -51.9 34.6 -2.4 18.0 30 35 A R H X S+ 0 0 49 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.836 110.9 51.0 -56.7 -37.8 35.7 1.0 17.0 31 36 A M H X S+ 0 0 0 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.862 112.8 45.3 -69.3 -38.8 38.9 -0.4 15.4 32 37 A I H >X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-1.0 0.928 112.1 53.1 -66.7 -47.9 36.8 -2.9 13.5 33 38 A H H 3<5S+ 0 0 30 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 107.4 51.3 -55.2 -38.9 34.4 -0.2 12.5 34 39 A A H 3<5S+ 0 0 22 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.662 123.7 27.0 -77.1 -17.4 37.3 2.0 11.2 35 40 A T H <<5S- 0 0 17 -3,-1.0 348,-0.4 -4,-0.7 -2,-0.2 0.524 88.6-131.6-120.6 -11.4 38.8 -0.8 9.0 36 41 A A T <5S+ 0 0 11 -4,-2.6 2,-0.5 1,-0.2 345,-0.2 0.857 70.8 128.1 56.2 32.9 35.9 -3.1 8.0 37 42 A D > < - 0 0 10 -5,-0.8 3,-1.4 -6,-0.2 -1,-0.2 -0.894 42.6-173.7-124.0 98.7 38.4 -5.8 9.1 38 43 A F T > S+ 0 0 55 -2,-0.5 3,-2.4 1,-0.3 4,-0.4 0.655 71.9 87.7 -66.2 -16.1 36.9 -8.2 11.7 39 44 A E T >> S+ 0 0 94 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.642 72.5 74.2 -58.5 -13.2 40.3 -9.8 12.1 40 45 A Y H <> S+ 0 0 8 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.755 79.5 71.2 -74.3 -18.6 41.0 -7.2 14.8 41 46 A K H <4 S+ 0 0 50 -3,-2.4 -1,-0.2 1,-0.2 -22,-0.2 0.827 111.3 31.8 -62.1 -29.2 38.7 -9.1 17.1 42 47 A A H <4 S+ 0 0 74 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.754 120.7 49.4 -97.2 -33.0 41.4 -11.6 17.3 43 48 A L H < S+ 0 0 31 -4,-1.8 131,-2.4 130,-0.1 2,-0.7 0.800 84.0 93.9 -81.5 -30.9 44.5 -9.4 16.9 44 49 A T E < -A 173 0A 1 -4,-2.3 2,-0.4 129,-0.2 129,-0.2 -0.535 55.2-174.4 -73.8 109.8 43.9 -6.7 19.5 45 50 A R E -A 172 0A 114 127,-2.4 127,-2.6 -2,-0.7 2,-0.3 -0.825 6.2-164.2-106.8 140.8 45.6 -7.6 22.7 46 51 A F E -A 171 0A 20 -2,-0.4 125,-0.2 125,-0.2 2,-0.1 -0.871 12.1-137.5-119.3 154.4 45.3 -5.6 26.0 47 52 A S > - 0 0 25 123,-1.8 3,-1.3 -2,-0.3 2,-0.3 -0.360 53.4 -61.6 -96.0-176.9 47.4 -5.8 29.1 48 53 A Q T 3 S- 0 0 185 1,-0.3 -1,-0.1 -2,-0.1 122,-0.1 -0.542 122.1 -3.0 -71.1 126.9 45.9 -5.8 32.6 49 54 A G T 3> S+ 0 0 39 -2,-0.3 4,-1.8 120,-0.1 -1,-0.3 0.816 84.0 147.4 63.1 33.0 44.0 -2.6 33.2 50 55 A A H <> S+ 0 0 1 -3,-1.3 4,-1.8 2,-0.2 -2,-0.1 0.968 71.4 42.6 -63.3 -52.0 44.9 -1.1 29.9 51 56 A V H > S+ 0 0 1 -4,-0.2 4,-3.9 2,-0.2 5,-0.3 0.940 112.1 50.8 -61.3 -52.4 41.6 0.9 29.4 52 57 A E H > S+ 0 0 97 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.946 110.3 53.0 -51.3 -47.9 41.3 2.2 33.0 53 58 A A H X S+ 0 0 22 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.889 113.9 43.0 -53.1 -42.1 44.9 3.4 32.6 54 59 A G H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.952 113.3 49.3 -69.7 -51.7 43.7 5.1 29.4 55 60 A L H X S+ 0 0 14 -4,-3.9 4,-2.7 1,-0.2 5,-0.2 0.880 113.5 48.1 -55.4 -40.9 40.5 6.5 30.8 56 61 A K H X S+ 0 0 152 -4,-3.2 4,-3.8 -5,-0.3 6,-0.2 0.933 111.8 48.4 -66.6 -47.7 42.3 7.9 33.8 57 62 A A H <>S+ 0 0 8 -4,-1.9 5,-3.6 -5,-0.3 -2,-0.2 0.933 114.4 46.9 -57.4 -48.1 45.1 9.5 31.7 58 63 A I H ><5S+ 0 0 0 -4,-3.0 3,-1.6 3,-0.2 -2,-0.2 0.945 116.5 42.8 -59.9 -50.9 42.5 11.1 29.5 59 64 A Q H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.913 107.4 60.5 -62.7 -41.3 40.4 12.3 32.4 60 65 A A T 3<5S- 0 0 81 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.412 122.5-112.1 -66.4 6.3 43.6 13.4 34.1 61 66 A G T < 5 - 0 0 16 -3,-1.6 25,-0.4 -5,-0.1 -3,-0.2 0.704 54.7-177.1 69.1 22.3 44.0 15.6 31.1 62 67 A A < - 0 0 13 -5,-3.6 24,-0.4 -6,-0.2 2,-0.4 0.128 25.9-105.0 -51.2 162.5 47.0 13.6 29.9 63 68 A R - 0 0 118 22,-0.2 57,-2.3 52,-0.2 2,-0.7 -0.745 21.7-143.6 -94.9 138.9 49.2 14.3 26.8 64 69 A I E -bc 87 120A 1 22,-3.0 24,-2.9 -2,-0.4 2,-0.6 -0.879 13.7-168.4-106.8 104.3 48.9 12.2 23.7 65 70 A L E -bc 88 121A 0 55,-2.2 57,-2.9 -2,-0.7 2,-0.3 -0.828 13.3-173.4 -92.4 121.6 52.3 11.7 22.0 66 71 A V E -bc 89 122A 1 22,-1.7 24,-0.9 -2,-0.6 25,-0.3 -0.838 29.7-139.8-119.1 156.8 51.9 10.3 18.5 67 72 A D S S+ 0 0 4 55,-1.7 2,-0.3 -2,-0.3 59,-0.2 0.238 83.1 41.1 -98.2 14.3 54.3 9.0 15.9 68 73 A A >> - 0 0 16 54,-0.2 4,-1.4 1,-0.1 3,-0.8 -0.950 67.9-132.8-162.8 141.8 52.6 10.4 12.8 69 74 A R H 3> S+ 0 0 138 -2,-0.3 4,-2.5 1,-0.3 5,-0.4 0.828 106.7 66.0 -61.3 -35.9 50.8 13.6 11.7 70 75 A M H 3> S+ 0 0 23 204,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.881 102.7 49.0 -54.9 -37.6 48.0 11.5 10.2 71 76 A I H <> S+ 0 0 0 -3,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.937 110.2 50.1 -68.6 -45.1 47.2 10.5 13.8 72 77 A A H >< S+ 0 0 20 -4,-1.4 3,-1.3 1,-0.2 -2,-0.2 0.970 114.7 41.2 -56.7 -60.5 47.3 14.1 15.1 73 78 A a H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 198,-0.2 0.676 109.5 63.3 -63.6 -16.8 45.0 15.6 12.5 74 79 A G H 3< S+ 0 0 5 -4,-0.8 2,-0.8 -5,-0.4 -1,-0.3 0.763 78.8 94.3 -79.5 -24.4 42.8 12.5 12.8 75 80 A L S << S- 0 0 2 -3,-1.3 5,-0.1 -4,-1.1 12,-0.1 -0.576 85.7-124.9 -72.2 108.4 42.0 13.2 16.4 76 81 A N >> - 0 0 37 -2,-0.8 3,-2.6 1,-0.2 4,-1.4 -0.371 14.5-149.6 -56.9 110.5 38.7 15.1 16.3 77 82 A P H 3> S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.779 94.9 66.8 -53.1 -31.1 39.5 18.4 18.2 78 83 A E H 34 S+ 0 0 112 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.582 108.6 39.9 -69.2 -7.1 35.9 18.5 19.4 79 84 A R H <4 S+ 0 0 90 -3,-2.6 4,-0.5 2,-0.1 -1,-0.2 0.687 109.3 57.4-108.7 -31.7 36.7 15.4 21.4 80 85 A L H ><>S+ 0 0 24 -4,-1.4 5,-2.2 1,-0.2 3,-0.5 0.834 102.0 57.9 -68.3 -34.1 40.2 16.4 22.6 81 86 A R G ><5S+ 0 0 161 -4,-2.0 3,-0.6 3,-0.3 -1,-0.2 0.817 83.9 80.9 -66.8 -34.4 38.8 19.5 24.2 82 87 A L G 3 5S+ 0 0 76 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.867 120.5 8.9 -39.3 -51.2 36.4 17.6 26.5 83 88 A F G < 5S- 0 0 62 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.206 110.0-119.4-115.3 10.5 39.2 16.9 28.9 84 89 A G T < 5 - 0 0 52 -3,-0.6 2,-0.4 -4,-0.2 -3,-0.3 0.955 42.4-176.7 48.5 71.1 41.6 19.2 27.0 85 90 A N < - 0 0 11 -5,-2.2 2,-0.5 -22,-0.1 -22,-0.2 -0.795 20.8-131.5-100.6 138.4 44.4 16.8 26.0 86 91 A E - 0 0 104 -25,-0.4 -22,-3.0 -24,-0.4 2,-0.5 -0.771 13.8-152.0 -93.1 125.9 47.5 17.9 24.2 87 92 A V E -b 64 0A 40 -2,-0.5 2,-0.5 -24,-0.2 -22,-0.2 -0.823 9.2-165.7 -95.8 131.1 48.6 16.0 21.1 88 93 A V E -b 65 0A 21 -24,-2.9 -22,-1.7 -2,-0.5 2,-1.5 -0.902 10.5-164.2-122.8 102.3 52.3 16.0 20.4 89 94 A E E > -b 66 0A 33 -2,-0.5 3,-0.8 1,-0.2 4,-0.2 -0.687 17.1-177.2 -84.0 90.5 53.5 14.9 17.0 90 95 A L G > + 0 0 1 -2,-1.5 3,-4.0 -24,-0.9 6,-0.2 0.951 69.7 58.1 -54.0 -66.6 57.2 14.4 17.9 91 96 A L G 3 S+ 0 0 20 -25,-0.3 -1,-0.2 1,-0.3 -24,-0.1 0.666 110.2 48.8 -43.1 -21.5 58.9 13.4 14.6 92 97 A A G < S+ 0 0 52 -3,-0.8 -1,-0.3 4,-0.1 -2,-0.2 0.399 81.2 120.3-102.5 1.9 57.6 16.7 13.2 93 98 A H <> - 0 0 50 -3,-4.0 4,-3.2 -4,-0.2 5,-0.2 -0.477 68.2-129.7 -69.4 133.5 58.8 19.0 16.0 94 99 A P H > S+ 0 0 89 0, 0.0 4,-3.3 0, 0.0 5,-0.1 0.849 107.7 49.6 -50.8 -39.3 61.3 21.6 14.9 95 100 A E H > S+ 0 0 97 2,-0.2 4,-1.2 1,-0.2 11,-0.0 0.970 113.6 43.8 -65.0 -53.5 63.7 20.7 17.6 96 101 A V H 4 S+ 0 0 0 -6,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.909 117.4 48.6 -55.4 -45.9 63.6 17.0 16.9 97 102 A V H < S+ 0 0 70 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.985 102.1 59.7 -56.6 -65.0 63.9 17.8 13.2 98 103 A A H < 0 0 90 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 360.0 360.0 -36.0 -33.9 66.8 20.2 13.6 99 104 A R < 0 0 163 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.214 360.0 360.0 -94.8 360.0 68.7 17.3 15.0 100 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 111 A T >> 0 0 105 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 158.3 66.9 8.3 12.6 102 112 A R H 3> + 0 0 135 1,-0.2 4,-0.6 2,-0.2 -3,-0.1 0.554 360.0 70.0 -65.1 -8.0 64.4 11.1 13.5 103 113 A A H >> S+ 0 0 7 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.910 98.7 44.5 -75.8 -45.5 62.6 8.5 15.6 104 114 A E H <> S+ 0 0 95 -3,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.803 108.3 59.7 -68.7 -28.9 65.3 8.4 18.3 105 115 A A H 3X S+ 0 0 13 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.763 103.3 52.7 -69.9 -25.8 65.5 12.2 18.2 106 116 A A H X S+ 0 0 10 -4,-1.5 4,-3.6 2,-0.2 3,-1.0 0.933 112.6 50.4 -60.6 -48.3 62.3 10.1 22.2 108 118 A A H 3X S+ 0 0 40 -4,-2.3 4,-1.0 1,-0.3 -1,-0.2 0.954 110.7 48.8 -54.0 -51.9 65.4 11.9 23.4 109 119 A Y H 3< S+ 0 0 24 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.665 115.9 47.9 -60.7 -16.6 63.6 15.2 23.1 110 120 A A H X<>S+ 0 0 0 -3,-1.0 5,-1.6 -4,-0.6 3,-1.2 0.827 109.1 47.6 -92.5 -41.2 60.9 13.4 25.1 111 121 A W H 3<5S+ 0 0 133 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.547 105.2 68.0 -76.0 -5.3 63.1 11.9 27.8 112 122 A E T 3<5S+ 0 0 128 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.1 0.141 110.1 28.9 -98.5 16.7 64.5 15.4 28.0 113 123 A K T < 5S- 0 0 112 -3,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.232 106.6-110.4-156.1 9.0 61.2 16.9 29.3 114 124 A G T > 5S+ 0 0 38 -4,-0.3 3,-0.7 1,-0.1 -3,-0.2 0.728 74.5 136.0 61.6 22.4 59.6 14.1 31.3 115 125 A L T 3 < + 0 0 41 -5,-1.6 4,-0.5 1,-0.2 -52,-0.2 0.873 59.4 65.0 -67.4 -38.6 56.9 13.9 28.6 116 126 A L T 3 S+ 0 0 1 -6,-0.6 2,-0.5 -9,-0.2 -1,-0.2 0.709 82.0 94.2 -58.4 -22.6 57.0 10.1 28.5 117 127 A D S < S- 0 0 84 -3,-0.7 3,-0.1 1,-0.2 24,-0.1 -0.621 106.6 -12.3 -81.3 118.8 55.8 9.8 32.1 118 128 A G S S+ 0 0 38 24,-3.6 -1,-0.2 -2,-0.5 -2,-0.1 0.284 103.5 128.4 79.7 -12.6 52.0 9.4 32.4 119 129 A A - 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