==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 28-MAR-97 2TDM . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.0 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 . 1 0.3 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 . 1 0.3 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 0 2 3 0 1 0 2 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 M > 0 0 135 0, 0.0 3,-1.7 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 179.9 4.5 28.3 -43.8 2 2 A L T 3 + 0 0 25 1,-0.3 4,-0.1 40,-0.1 37,-0.1 0.873 360.0 48.7 -49.9 -51.3 3.5 31.9 -44.3 3 3 A E T >> S+ 0 0 5 1,-0.2 4,-1.5 2,-0.1 3,-1.0 0.358 77.1 102.4 -80.5 10.9 6.7 33.0 -45.9 4 4 A Q H <> S+ 0 0 55 -3,-1.7 4,-2.6 1,-0.3 -1,-0.2 0.824 73.6 64.8 -60.6 -34.6 7.0 30.1 -48.3 5 5 A P H 3> S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.857 102.2 49.8 -57.1 -34.6 5.9 32.5 -51.1 6 6 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.974 109.9 48.3 -66.7 -54.2 9.1 34.5 -50.6 7 7 A L H X S+ 0 0 6 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.852 112.0 52.0 -53.3 -36.8 11.3 31.4 -50.7 8 8 A D H X S+ 0 0 75 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.956 105.7 52.5 -66.5 -49.9 9.4 30.4 -53.9 9 9 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 111.7 48.0 -50.1 -50.0 10.0 33.8 -55.6 10 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 111.3 48.6 -59.3 -45.4 13.7 33.4 -54.9 11 11 A K H X S+ 0 0 76 -4,-2.1 4,-2.1 2,-0.2 3,-0.4 0.979 111.1 52.4 -56.9 -55.4 13.9 29.8 -56.2 12 12 A K H <>S+ 0 0 75 -4,-3.0 5,-0.8 1,-0.3 -2,-0.2 0.894 110.0 46.5 -45.6 -54.9 12.1 31.0 -59.3 13 13 A V H >X5S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 3,-0.6 0.845 108.3 58.5 -61.6 -33.6 14.5 33.8 -60.0 14 14 A L H 3<5S+ 0 0 40 -4,-2.0 2,-0.4 -3,-0.4 -1,-0.2 0.921 121.4 23.5 -62.8 -45.2 17.4 31.4 -59.3 15 15 A D T 3<5S+ 0 0 110 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.1 -0.689 135.3 25.9-127.6 80.0 16.3 29.1 -62.1 16 16 A E T <45S+ 0 0 109 -3,-0.6 -3,-0.2 1,-0.5 -2,-0.1 -0.140 91.0 109.7 162.4 -34.0 14.2 31.0 -64.6 17 17 A G << - 0 0 14 -5,-0.8 -1,-0.5 -4,-0.7 2,-0.3 -0.212 59.9-141.0 -61.1 150.8 15.5 34.5 -64.1 18 18 A H E -A 30 0A 144 12,-2.0 12,-2.3 -3,-0.1 -1,-0.1 -0.871 25.0 -94.7-116.8 150.3 17.6 35.8 -67.0 19 19 A F E +A 29 0A 120 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.402 48.6 176.4 -63.5 142.5 20.7 37.9 -66.7 20 20 A K E -A 28 0A 98 8,-2.5 8,-2.0 -2,-0.1 2,-0.1 -0.974 23.8-136.1-153.1 131.1 20.0 41.6 -66.9 21 21 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.353 33.4-178.6 -78.5 167.4 22.3 44.7 -66.6 22 22 A D - 0 0 42 2,-0.3 5,-0.0 1,-0.1 6,-0.0 -0.880 40.9 -78.8-156.9-175.5 21.2 47.7 -64.6 23 23 A R S S+ 0 0 188 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.978 116.6 52.1 -56.3 -65.7 21.5 51.2 -63.1 24 24 A T S S- 0 0 10 1,-0.1 -2,-0.3 2,-0.1 291,-0.0 -0.476 101.2-123.5 -65.5 149.1 23.9 50.2 -60.3 25 25 A H S S+ 0 0 167 291,-0.4 2,-0.6 -4,-0.1 -1,-0.1 0.357 81.8 107.1 -89.2 19.0 26.5 48.4 -62.3 26 26 A T S S- 0 0 26 1,-0.1 -2,-0.1 -5,-0.1 289,-0.0 -0.799 74.4-125.3 -87.3 123.0 26.1 45.2 -60.2 27 27 A G - 0 0 10 -2,-0.6 235,-2.5 234,-0.1 236,-0.4 -0.081 27.2-154.8 -66.6 171.6 24.4 42.8 -62.6 28 28 A T E -AB 20 261A 4 -8,-2.0 -8,-2.5 233,-0.3 2,-0.5 -0.962 21.6-129.0-147.3 162.7 21.1 40.9 -61.8 29 29 A Y E -AB 19 260A 73 231,-2.5 231,-2.5 -2,-0.3 2,-0.3 -0.966 46.8-174.3-107.9 130.0 18.9 37.8 -62.5 30 30 A S E -AB 18 259A 13 -12,-2.3 -12,-2.0 -2,-0.5 2,-0.3 -0.915 31.1-176.4-140.8 154.9 15.4 39.1 -63.2 31 31 A I E - B 0 258A 20 227,-1.4 227,-1.2 -2,-0.3 2,-0.5 -0.888 23.4-136.7-133.7 161.4 11.8 38.2 -64.0 32 32 A F E S+ B 0 257A 163 -2,-0.3 225,-0.2 1,-0.3 224,-0.1 -0.986 71.0 16.9-128.6 121.3 9.0 40.6 -64.8 33 33 A G E + 0 0 45 223,-2.6 2,-0.3 -2,-0.5 -1,-0.3 0.672 65.5 155.8 87.1 112.1 5.6 40.3 -63.3 34 34 A H E - B 0 255A 41 221,-1.2 221,-3.5 -3,-0.1 2,-0.3 -0.945 15.9-170.5-164.5 147.6 5.0 38.2 -60.2 35 35 A Q E + B 0 254A 97 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.980 4.9 176.6-146.5 147.4 2.5 38.2 -57.4 36 36 A M E - B 0 253A 13 217,-1.5 217,-3.1 -2,-0.3 2,-0.3 -0.978 14.9-144.9-149.0 149.9 2.1 36.4 -54.1 37 37 A R E - B 0 252A 120 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.919 3.0-159.9-121.8 151.7 -0.4 36.6 -51.2 38 38 A F E - B 0 251A 4 213,-1.9 213,-2.3 -2,-0.3 2,-1.1 -0.999 19.5-137.6-129.4 119.6 -0.1 36.2 -47.5 39 39 A D E > - B 0 250A 60 -2,-0.4 3,-2.0 211,-0.2 4,-0.3 -0.763 16.4-157.9 -78.0 105.3 -3.1 35.3 -45.5 40 40 A L T 3 S+ 0 0 5 209,-2.1 -1,-0.1 -2,-1.1 210,-0.1 0.412 85.7 66.5 -68.3 0.1 -2.6 37.8 -42.6 41 41 A S T 3 S+ 0 0 75 208,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.476 91.8 64.2 -95.3 -5.8 -4.8 35.7 -40.3 42 42 A K S < S- 0 0 134 -3,-2.0 2,-0.2 1,-0.4 237,-0.2 0.600 122.3 -73.0 -89.8 -16.1 -2.2 32.9 -40.4 43 43 A G - 0 0 14 -4,-0.3 -1,-0.4 -41,-0.1 238,-0.2 -0.801 63.4 -53.7 143.2 175.7 0.4 35.0 -38.7 44 44 A F - 0 0 1 236,-2.9 2,-2.0 -2,-0.2 187,-0.1 -0.767 44.0-130.5 -92.7 127.4 2.7 38.0 -39.5 45 45 A P + 0 0 3 0, 0.0 2,-0.7 0, 0.0 186,-0.1 -0.085 58.0 136.5 -64.9 34.6 5.0 37.7 -42.6 46 46 A L - 0 0 2 -2,-2.0 -43,-0.1 234,-0.1 -2,-0.1 -0.809 64.8-107.5 -86.8 120.1 8.2 38.7 -40.9 47 47 A L - 0 0 2 -2,-0.7 5,-0.5 180,-0.2 3,-0.1 -0.223 32.3-173.8 -52.7 134.6 10.7 36.1 -42.2 48 48 A T S S+ 0 0 2 229,-0.2 259,-3.2 1,-0.1 -1,-0.1 0.653 78.7 73.1 -98.5 -25.5 12.0 33.4 -39.9 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.375 114.1 17.0 -72.1 6.8 14.6 32.0 -42.4 50 50 A K S S- 0 0 13 -3,-0.1 2,-0.7 257,-0.1 259,-0.2 -0.844 89.7-104.4-175.5 138.8 16.6 35.1 -41.6 51 51 A K - 0 0 118 256,-0.4 259,-0.2 -2,-0.3 -3,-0.1 -0.640 37.4-172.4 -77.4 110.0 16.6 37.7 -38.9 52 52 A V - 0 0 3 -2,-0.7 2,-1.3 -5,-0.5 3,-0.1 -0.920 30.1-116.9-107.3 126.7 15.0 41.0 -40.1 53 53 A P >> - 0 0 49 0, 0.0 4,-1.3 0, 0.0 3,-1.0 -0.443 30.1-176.8 -64.6 91.2 15.1 44.1 -37.9 54 54 A F H 3> S+ 0 0 20 -2,-1.3 4,-2.5 1,-0.3 5,-0.2 0.864 77.1 67.1 -58.4 -36.6 11.5 44.8 -37.3 55 55 A G H 3> S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.847 99.4 49.4 -54.3 -38.8 12.3 47.9 -35.3 56 56 A L H <> S+ 0 0 44 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.942 109.3 52.5 -67.9 -43.0 13.6 49.6 -38.4 57 57 A I H X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.907 112.9 42.6 -62.7 -42.8 10.5 48.7 -40.4 58 58 A K H X S+ 0 0 25 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.905 110.4 53.1 -75.0 -34.2 8.1 50.1 -37.8 59 59 A S H X S+ 0 0 1 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.829 113.6 47.0 -66.9 -27.4 10.0 53.4 -37.0 60 60 A E H X S+ 0 0 29 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.854 111.1 50.2 -79.9 -35.6 10.0 54.0 -40.8 61 61 A L H X S+ 0 0 2 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.942 111.2 47.8 -67.5 -45.7 6.3 53.2 -41.2 62 62 A L H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.807 109.1 55.0 -65.1 -26.6 5.3 55.5 -38.3 63 63 A W H X>S+ 0 0 0 -4,-0.9 5,-2.0 -5,-0.3 4,-0.6 0.920 111.9 44.6 -68.8 -42.8 7.5 58.1 -40.0 64 64 A F H ><5S+ 0 0 5 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.970 111.6 51.4 -62.3 -56.7 5.5 57.6 -43.1 65 65 A L H 3<5S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 105.8 56.1 -53.4 -31.4 2.1 57.6 -41.3 66 66 A H H 3<5S- 0 0 62 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.666 111.2-121.9 -77.3 -15.4 3.0 60.9 -39.6 67 67 A G T <<5 + 0 0 28 -3,-2.0 2,-0.3 -4,-0.6 -3,-0.2 0.765 59.7 156.1 77.6 26.8 3.6 62.5 -43.0 68 68 A D < + 0 0 50 -5,-2.0 79,-0.3 -6,-0.2 -1,-0.3 -0.657 27.4 175.4 -90.2 140.7 7.1 63.3 -41.8 69 69 A T + 0 0 21 -2,-0.3 73,-2.5 78,-0.1 74,-0.7 0.050 46.9 107.4-130.0 19.6 9.8 63.8 -44.4 70 70 A N B >> -F 141 0B 27 71,-0.2 3,-1.3 72,-0.1 4,-0.6 -0.923 63.4-144.4-109.2 122.0 12.7 64.7 -42.1 71 71 A I H >> S+ 0 0 0 69,-2.9 4,-2.2 -2,-0.6 3,-0.5 0.738 90.7 81.1 -49.5 -26.5 15.5 62.2 -41.4 72 72 A R H 3> S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 83.9 54.9 -52.0 -47.6 15.6 63.5 -37.9 73 73 A F H <> S+ 0 0 28 -3,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.906 111.8 47.5 -55.1 -40.5 12.6 61.5 -36.6 74 74 A L H X<>S+ 0 0 0 -4,-0.6 5,-2.0 -3,-0.5 3,-1.8 0.960 107.7 52.0 -65.6 -55.3 14.4 58.4 -37.8 75 75 A L H ><5S+ 0 0 11 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.857 104.6 59.5 -50.1 -39.8 17.9 59.2 -36.3 76 76 A Q H 3<5S+ 0 0 120 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.765 107.6 44.1 -60.9 -31.7 16.2 59.7 -33.0 77 77 A H T <<5S- 0 0 55 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.014 122.6-110.2-100.6 26.2 14.9 56.1 -33.1 78 78 A R T < 5S+ 0 0 208 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.868 71.6 144.4 43.8 49.5 18.3 55.1 -34.3 79 79 A N < + 0 0 0 -5,-2.0 3,-0.2 -8,-0.2 -1,-0.2 -0.968 23.3 174.9-117.7 116.2 17.1 54.2 -37.7 80 80 A H > + 0 0 91 -2,-0.5 3,-0.6 1,-0.2 4,-0.5 0.187 39.4 118.0-109.8 19.9 19.5 55.1 -40.5 81 81 A I T 3 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.779 88.6 30.5 -56.3 -31.6 17.7 53.7 -43.7 82 82 A W T >> S+ 0 0 30 -3,-0.2 3,-2.5 1,-0.1 4,-1.1 0.503 86.3 99.9-108.1 -6.3 17.5 57.2 -45.3 83 83 A D H <> S+ 0 0 6 -3,-0.6 4,-2.8 1,-0.3 5,-0.3 0.841 75.6 67.3 -46.7 -43.4 20.6 59.0 -44.0 84 84 A E H 3> S+ 0 0 79 -4,-0.5 4,-1.3 1,-0.2 -1,-0.3 0.764 101.4 48.8 -51.0 -27.0 22.4 58.3 -47.2 85 85 A W H <> S+ 0 0 67 -3,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.885 112.8 43.5 -83.5 -41.9 19.9 60.6 -49.0 86 86 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 3,-0.3 0.974 114.4 50.6 -65.9 -54.2 20.1 63.6 -46.6 87 87 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.922 105.4 58.7 -46.6 -54.1 23.9 63.4 -46.4 88 88 A E H X S+ 0 0 76 -4,-1.3 4,-1.0 -5,-0.3 -1,-0.2 0.881 106.8 45.4 -42.0 -57.3 24.1 63.3 -50.2 89 89 A K H < S+ 0 0 88 -4,-1.5 3,-0.4 -3,-0.3 -1,-0.3 0.884 114.1 51.5 -56.7 -44.2 22.3 66.7 -50.6 90 90 A W H >< S+ 0 0 22 -4,-2.0 3,-1.5 1,-0.2 6,-0.5 0.918 103.4 54.1 -60.5 -51.9 24.5 68.1 -47.9 91 91 A V H 3< S+ 0 0 21 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.731 107.3 54.9 -60.2 -19.4 27.9 67.1 -49.2 92 92 A K T 3< S+ 0 0 159 -4,-1.0 -1,-0.3 -3,-0.4 2,-0.2 -0.099 98.7 80.2-106.9 33.1 27.0 68.8 -52.5 93 93 A S S < S- 0 0 35 -3,-1.5 3,-0.1 1,-0.1 -3,-0.0 -0.725 88.3-100.9-128.2 179.0 26.2 72.2 -51.0 94 94 A D S S+ 0 0 146 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.0 0.932 112.0 61.2 -67.6 -51.1 28.0 75.4 -49.8 95 95 A E S S+ 0 0 78 2,-0.0 2,-0.4 -3,-0.0 -1,-0.2 0.825 86.5 91.9 -48.7 -33.7 27.9 74.7 -46.0 96 96 A Y + 0 0 22 -6,-0.5 2,-0.4 -3,-0.1 4,-0.0 -0.492 46.2 166.3 -72.0 121.1 29.9 71.5 -46.5 97 97 A H + 0 0 160 -2,-0.4 -3,-0.0 2,-0.0 -2,-0.0 -0.961 40.5 77.4-133.2 105.7 33.6 72.1 -46.2 98 98 A G S S- 0 0 38 -2,-0.4 2,-2.3 -7,-0.1 -2,-0.0 -0.969 89.3 -21.5 173.5-178.9 35.4 68.8 -45.9 99 99 A P S S- 0 0 69 0, 0.0 2,-1.6 0, 0.0 22,-0.1 -0.185 70.5-127.7 -50.7 70.8 36.7 65.6 -47.6 100 100 A D - 0 0 87 -2,-2.3 4,-0.1 1,-0.2 -4,-0.0 0.202 21.5-157.6 10.0 -46.5 34.5 65.8 -50.7 101 101 A M > + 0 0 1 -2,-1.6 3,-0.9 1,-0.2 2,-0.4 0.894 18.9 179.8 48.7 53.7 33.0 62.2 -50.6 102 102 A T T 3 S- 0 0 90 1,-0.3 -1,-0.2 2,-0.1 5,-0.2 -0.711 70.4 -1.5 -88.4 130.2 32.0 62.0 -54.2 103 103 A D T >> S+ 0 0 101 -2,-0.4 4,-1.5 3,-0.1 3,-1.4 0.778 87.5 162.2 59.9 32.1 30.4 58.7 -55.3 104 104 A F H <> + 0 0 23 -3,-0.9 4,-2.9 1,-0.3 5,-0.3 0.822 58.2 67.9 -49.0 -46.8 30.9 57.6 -51.6 105 105 A G H 3> S+ 0 0 29 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.857 109.1 39.9 -44.8 -40.2 28.5 54.7 -51.6 106 106 A H H <> S+ 0 0 68 -3,-1.4 4,-0.7 2,-0.2 3,-0.5 0.984 113.8 50.9 -71.7 -61.5 30.8 53.0 -54.0 107 107 A R H X S+ 0 0 102 -4,-1.5 4,-3.1 1,-0.3 3,-0.4 0.759 104.9 57.3 -48.5 -37.8 34.1 54.0 -52.4 108 108 A S H < S+ 0 0 29 -4,-2.9 -1,-0.3 1,-0.3 7,-0.2 0.970 110.7 44.4 -59.8 -49.4 33.0 52.9 -48.9 109 109 A Q H < S+ 0 0 80 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.568 122.8 40.4 -70.5 -9.1 32.4 49.4 -50.4 110 110 A K H < S+ 0 0 180 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.673 110.1 48.5-115.1 -21.0 35.7 49.7 -52.2 111 111 A D X - 0 0 76 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