==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JAN-08 3BZ0 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR R.LEONE,L.CANCIAN,M.P.COSTI,S.FERRARI,R.LUCIANI,S.MANGANI . 306 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.4 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 . 1 0.3 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 . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 1 1 1 1 0 1 0 2 0 0 0 1 0 1 0 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 154 0, 0.0 3,-2.2 0, 0.0 272,-0.0 0.000 360.0 360.0 360.0 155.0 -54.0 7.1 33.7 2 2 A L T 3 + 0 0 29 1,-0.3 4,-0.2 40,-0.2 37,-0.1 0.737 360.0 47.6 -46.2 -34.7 -51.3 9.7 33.6 3 3 A E T >> S+ 0 0 5 1,-0.2 4,-1.2 2,-0.1 3,-0.9 0.441 77.3 102.9 -97.0 4.4 -48.6 7.5 32.0 4 4 A Q H <> S+ 0 0 69 -3,-2.2 4,-3.2 1,-0.3 5,-0.3 0.845 73.0 64.7 -51.5 -43.7 -50.8 6.0 29.1 5 5 A P H 3> S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.909 101.6 50.3 -50.2 -43.5 -49.2 8.4 26.6 6 6 A Y H <> S+ 0 0 1 -3,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.917 112.2 46.2 -61.4 -42.6 -45.9 6.6 27.2 7 7 A L H X S+ 0 0 7 -4,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.880 112.2 51.6 -68.3 -35.8 -47.5 3.2 26.7 8 8 A D H X S+ 0 0 68 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.839 109.2 49.3 -69.2 -35.4 -49.3 4.4 23.5 9 9 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.866 110.1 52.3 -71.7 -32.9 -46.1 5.7 22.0 10 10 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.982 115.0 40.8 -64.4 -53.5 -44.4 2.4 22.8 11 11 A K H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.867 110.1 57.4 -61.0 -38.6 -47.2 0.4 21.1 12 12 A K H X S+ 0 0 85 -4,-2.4 4,-1.4 1,-0.2 5,-0.2 0.902 106.8 52.0 -65.2 -34.9 -47.5 2.8 18.1 13 13 A V H X S+ 0 0 0 -4,-1.8 4,-1.6 3,-0.2 -1,-0.2 0.930 112.5 40.4 -66.1 -43.8 -43.9 2.3 17.4 14 14 A L H < S+ 0 0 27 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.958 121.4 44.1 -68.4 -45.9 -43.9 -1.6 17.3 15 15 A D H < S+ 0 0 117 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.993 137.1 3.5 -61.8 -70.6 -47.1 -1.8 15.4 16 16 A E H < S+ 0 0 117 -4,-1.4 -3,-0.2 -5,-0.3 -1,-0.2 0.161 94.0 120.6-109.7 17.1 -46.7 0.9 12.7 17 17 A G < - 0 0 11 -4,-1.6 2,-0.3 -5,-0.2 14,-0.2 -0.421 60.7-114.7 -78.0 163.5 -43.2 2.3 13.1 18 18 A H E -A 30 0A 127 12,-2.3 12,-1.7 -2,-0.1 2,-0.2 -0.764 22.5-119.2-104.7 145.1 -40.7 2.1 10.2 19 19 A F E +A 29 0A 124 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.514 41.3 145.6 -79.3 141.6 -37.5 0.0 10.0 20 20 A K E -A 28 0A 102 8,-1.2 8,-3.0 -2,-0.2 2,-0.0 -0.912 39.9-115.0-158.7 154.0 -34.0 1.5 9.4 21 21 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.157 28.9-150.5 -73.0-178.8 -30.4 0.7 10.5 22 22 A D - 0 0 38 2,-0.8 6,-0.0 5,-0.0 0, 0.0 -0.609 41.2 -68.3-134.1-163.3 -28.1 3.0 12.8 23 23 A R S S+ 0 0 225 -2,-0.2 2,-0.3 2,-0.1 0, 0.0 0.542 125.1 39.2 -76.5 -9.7 -24.4 4.0 13.4 24 24 A T S > S- 0 0 45 80,-0.0 2,-1.5 0, 0.0 -2,-0.8 -0.882 106.9 -99.5-120.0 164.5 -23.8 0.5 14.9 25 25 A H T 3 S+ 0 0 161 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.507 89.9 97.4 -93.3 82.4 -25.5 -2.6 13.2 26 26 A T T 3 S- 0 0 58 -2,-1.5 232,-0.3 232,-0.0 -1,-0.2 0.600 72.6-130.0-135.4 -29.3 -28.4 -3.2 15.4 27 27 A G < - 0 0 4 -3,-0.6 231,-2.1 230,-0.1 232,-0.3 0.372 13.9-136.2 87.4 144.9 -31.5 -1.6 13.8 28 28 A T E -AB 20 257A 9 -8,-3.0 -8,-1.2 229,-0.3 2,-0.3 -0.805 6.5-147.9-127.4 175.0 -34.4 0.7 14.8 29 29 A Y E +AB 19 256A 70 227,-1.4 227,-2.3 -2,-0.2 2,-0.3 -0.959 38.0 166.1-144.1 123.7 -38.1 1.2 14.5 30 30 A S E -AB 18 255A 3 -12,-1.7 -12,-2.3 -2,-0.3 2,-0.3 -0.866 31.1-153.7-145.4 164.6 -39.3 4.8 14.5 31 31 A I E - B 0 254A 19 223,-1.7 223,-1.7 -2,-0.3 2,-0.4 -0.964 23.6-125.7-146.9 134.2 -41.9 7.6 14.0 32 32 A F E S- B 0 253A 173 -2,-0.3 221,-0.2 1,-0.2 220,-0.2 -0.613 77.8 -4.8 -83.0 122.5 -41.6 11.3 13.2 33 33 A G S S+ 0 0 49 219,-2.4 2,-0.4 -2,-0.4 -1,-0.2 0.941 71.0 164.1 73.9 62.4 -43.3 14.0 15.2 34 34 A H - 0 0 38 218,-0.4 217,-1.2 -3,-0.3 -1,-0.2 -0.895 21.8-145.9-113.2 132.6 -45.5 12.4 18.0 35 35 A Q E -C 250 0A 94 -2,-0.4 2,-0.3 215,-0.2 215,-0.2 -0.491 10.2-166.7 -94.1 163.5 -46.8 14.3 21.0 36 36 A M E -C 249 0A 4 213,-1.3 213,-3.3 -2,-0.1 2,-0.4 -0.964 5.2-162.6-144.3 133.7 -47.4 13.4 24.7 37 37 A R E -C 248 0A 134 -2,-0.3 2,-0.4 211,-0.2 211,-0.2 -0.968 6.5-177.5-120.1 137.3 -49.4 15.5 27.2 38 38 A F E -C 247 0A 3 209,-1.9 209,-2.1 -2,-0.4 2,-0.7 -0.951 21.1-143.4-136.5 110.2 -49.2 15.0 31.0 39 39 A D E > -C 246 0A 60 -2,-0.4 3,-1.5 207,-0.2 207,-0.2 -0.645 11.9-161.5 -71.6 112.2 -51.4 17.1 33.3 40 40 A L G > S+ 0 0 6 205,-1.8 3,-1.2 -2,-0.7 -1,-0.2 0.716 81.8 71.1 -76.3 -13.4 -49.1 17.6 36.2 41 41 A S G 3 S+ 0 0 82 204,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.564 93.2 56.3 -76.5 -11.2 -51.9 18.5 38.5 42 42 A K G < S- 0 0 169 -3,-1.5 2,-0.3 1,-0.3 -1,-0.3 0.284 126.3 -69.8-104.4 5.6 -53.2 14.9 38.5 43 43 A G < - 0 0 14 -3,-1.2 -1,-0.3 -4,-0.1 234,-0.2 -0.922 64.8 -49.2 143.3-160.5 -49.8 13.6 39.8 44 44 A F - 0 0 1 232,-1.1 2,-2.8 -2,-0.3 183,-0.1 -0.949 42.9-126.9-120.8 126.1 -46.2 13.1 38.8 45 45 A P + 0 0 2 0, 0.0 2,-0.5 0, 0.0 185,-0.1 -0.106 57.9 133.2 -70.7 50.5 -45.1 11.4 35.5 46 46 A L - 0 0 1 -2,-2.8 2,-0.3 180,-0.1 -2,-0.1 -0.835 65.3-105.5 -98.8 134.5 -42.8 8.7 36.8 47 47 A L - 0 0 3 -2,-0.5 5,-0.4 1,-0.2 3,-0.2 -0.414 31.9-176.9 -67.3 122.6 -43.5 5.3 35.3 48 48 A T S S+ 0 0 0 -2,-0.3 255,-3.0 225,-0.1 -1,-0.2 0.707 84.0 66.8 -76.9 -25.9 -45.2 2.9 37.6 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.3 253,-0.2 -1,-0.1 0.519 117.2 19.9 -76.8 -0.9 -45.0 0.2 34.8 50 50 A K S S- 0 0 21 -3,-0.2 2,-0.3 253,-0.1 255,-0.2 -0.878 91.3-112.3-159.9 130.2 -41.2 0.2 35.2 51 51 A K - 0 0 115 252,-0.5 255,-0.3 -2,-0.3 -3,-0.1 -0.556 34.6-166.3 -64.3 124.1 -39.2 1.4 38.2 52 52 A V - 0 0 2 -5,-0.4 2,-1.3 -2,-0.3 -2,-0.0 -0.944 25.7-117.4-107.9 135.7 -37.4 4.5 37.1 53 53 A P > - 0 0 54 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.583 31.4-179.8 -82.0 101.6 -34.7 5.7 39.5 54 54 A F H > S+ 0 0 15 -2,-1.3 4,-2.3 1,-0.2 5,-0.3 0.866 75.0 70.1 -66.0 -33.7 -35.7 9.2 40.7 55 55 A G H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 104.3 40.7 -47.6 -53.2 -32.6 9.6 42.8 56 56 A L H > S+ 0 0 41 -3,-0.4 4,-3.0 2,-0.2 5,-0.4 0.924 109.2 58.7 -61.5 -43.9 -30.4 9.9 39.7 57 57 A I H X S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.936 109.4 43.6 -66.5 -42.0 -32.8 12.0 37.8 58 58 A K H X S+ 0 0 28 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.957 112.7 51.6 -54.6 -53.0 -32.7 14.8 40.5 59 59 A S H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.959 114.7 44.0 -52.2 -49.8 -29.0 14.6 41.0 60 60 A E H X S+ 0 0 19 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.798 113.6 50.9 -66.4 -32.6 -28.5 14.9 37.2 61 61 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.4 -1,-0.2 0.942 109.5 48.5 -69.3 -48.6 -31.1 17.7 37.0 62 62 A L H X S+ 0 0 1 -4,-3.2 4,-0.6 2,-0.2 6,-0.2 0.830 106.5 60.1 -63.5 -32.7 -29.5 19.8 39.9 63 63 A W H >X>S+ 0 0 0 -4,-2.2 3,-3.5 -5,-0.4 5,-1.4 0.991 107.9 41.9 -48.8 -72.7 -26.2 19.3 38.2 64 64 A F H ><5S+ 0 0 7 -4,-1.7 3,-1.6 1,-0.3 -2,-0.2 0.826 110.2 60.0 -40.6 -44.5 -27.5 21.1 35.0 65 65 A L H 3<5S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.580 103.9 48.7 -66.6 -13.6 -29.2 23.6 37.2 66 66 A H H <<5S- 0 0 74 -3,-3.5 -1,-0.3 -4,-0.6 -2,-0.2 0.406 113.4-120.9 -96.6 -11.0 -25.8 24.6 38.7 67 67 A G T <<5 + 0 0 22 -3,-1.6 2,-0.3 -4,-0.7 -3,-0.2 0.726 61.8 151.2 67.9 23.1 -24.5 24.9 35.2 68 68 A D < - 0 0 44 -5,-1.4 75,-0.3 -6,-0.2 -1,-0.2 -0.682 31.9-178.6 -89.3 145.1 -21.8 22.2 35.9 69 69 A T + 0 0 20 -2,-0.3 69,-3.2 74,-0.1 2,-0.6 0.055 50.4 111.4-115.4 17.8 -20.5 20.0 33.2 70 70 A N B > -G 137 0B 28 67,-0.3 3,-1.2 68,-0.1 4,-0.5 -0.880 63.8-142.0-114.6 117.8 -18.2 18.0 35.5 71 71 A I T 3> S+ 0 0 0 65,-3.0 4,-2.2 -2,-0.6 3,-0.2 0.609 87.6 81.8 -48.7 -22.9 -18.8 14.4 36.4 72 72 A R H >> S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.934 86.9 51.4 -46.6 -61.8 -17.7 14.8 40.0 73 73 A F H <4 S+ 0 0 27 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.857 111.1 52.0 -48.6 -38.1 -20.9 16.3 41.4 74 74 A L H >4>S+ 0 0 0 -4,-0.5 5,-2.2 -3,-0.2 3,-0.9 0.890 109.7 47.8 -67.1 -43.6 -22.6 13.3 39.8 75 75 A L H X<5S+ 0 0 9 -4,-2.2 3,-3.1 -3,-0.6 -2,-0.2 0.949 103.3 59.3 -61.9 -53.1 -20.2 10.8 41.4 76 76 A Q T 3<5S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.447 109.5 47.7 -62.6 8.7 -20.5 12.4 44.9 77 77 A H T < 5S- 0 0 47 -3,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.328 120.1-111.3-125.1 5.5 -24.2 11.5 44.5 78 78 A R T < 5S+ 0 0 194 -3,-3.1 2,-0.5 1,-0.2 -3,-0.2 0.880 71.9 137.1 78.3 40.1 -23.6 8.0 43.3 79 79 A N < + 0 0 1 -5,-2.2 3,-0.3 -8,-0.2 -1,-0.2 -0.976 26.4 173.8-129.8 110.7 -24.7 8.6 39.8 80 80 A H > + 0 0 69 -2,-0.5 3,-0.6 1,-0.2 4,-0.4 -0.061 43.8 119.1-106.5 28.0 -22.6 7.1 37.0 81 81 A I T 3 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.683 84.5 29.4 -75.8 -21.4 -25.1 8.1 34.3 82 82 A W T 3> S+ 0 0 28 -3,-0.3 4,-0.8 -11,-0.1 3,-0.4 0.229 90.8 103.7-117.4 10.8 -22.7 10.3 32.4 83 83 A D H X> + 0 0 7 -3,-0.6 4,-3.0 1,-0.2 3,-0.5 0.850 69.5 68.4 -48.5 -41.4 -19.4 8.5 33.3 84 84 A E H 3> S+ 0 0 92 -4,-0.4 4,-3.5 1,-0.3 -1,-0.2 0.815 97.2 43.9 -64.5 -46.7 -19.2 6.9 30.0 85 85 A W H 3> S+ 0 0 87 -3,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.691 115.7 50.0 -71.9 -28.5 -18.4 9.8 27.7 86 86 A A H << S+ 0 0 4 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.948 112.5 46.0 -69.5 -56.8 -15.9 11.2 30.1 87 87 A F H >X S+ 0 0 0 -4,-3.0 3,-2.3 1,-0.2 4,-1.1 0.947 109.9 57.2 -46.1 -58.7 -14.3 7.7 30.4 88 88 A E H >X S+ 0 0 49 -4,-3.5 3,-1.2 1,-0.3 4,-0.8 0.901 105.5 49.4 -32.4 -62.4 -14.4 7.6 26.6 89 89 A K H 3< S+ 0 0 96 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 -0.004 106.4 57.5 -83.3 33.9 -12.4 10.8 26.3 90 90 A W H <4 S+ 0 0 15 -3,-2.3 -1,-0.2 -2,-0.4 -2,-0.2 0.497 97.1 58.7-125.2 -19.2 -9.8 9.6 28.7 91 91 A V H << S+ 0 0 10 -3,-1.2 -2,-0.2 -4,-1.1 9,-0.1 0.766 112.4 39.5 -76.9 -29.2 -8.7 6.4 26.8 92 92 A K S < S+ 0 0 99 -4,-0.8 -1,-0.2 7,-0.1 2,-0.2 0.402 87.4 111.1-107.4 -0.0 -7.7 8.3 23.6 93 93 A S S > S- 0 0 17 1,-0.1 3,-2.1 2,-0.0 -3,-0.1 -0.518 87.7-106.0 -64.3 142.9 -6.1 11.3 25.4 94 94 A D T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.560 116.1 59.6 -45.8 -9.7 -2.3 11.4 24.8 95 95 A E T 3 0 0 88 -5,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.366 360.0 360.0-110.8 0.3 -1.9 10.3 28.4 96 96 A Y < 0 0 92 -3,-2.1 -5,-0.1 -5,-0.1 -6,-0.0 -0.534 360.0 360.0 -77.8 360.0 -3.8 6.9 28.8 97 ! 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 98 100 A D 0 0 135 0, 0.0 2,-0.5 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 23.2 -6.2 -0.7 26.0 99 101 A M > + 0 0 6 15,-0.0 3,-0.7 3,-0.0 -8,-0.1 0.190 360.0 147.7 -64.0 17.7 -9.9 0.2 26.5 100 102 A T T 3 S+ 0 0 92 -2,-0.5 -12,-0.0 1,-0.2 -8,-0.0 -0.358 74.2 4.7 -60.2 134.5 -10.3 1.4 22.8 101 103 A D T 3 S+ 0 0 95 1,-0.1 4,-0.3 -2,-0.1 -1,-0.2 0.961 75.3 158.9 38.9 68.2 -13.8 0.7 21.6 102 104 A F < + 0 0 11 -3,-0.7 -2,-0.1 2,-0.1 -1,-0.1 0.578 64.2 69.9 -78.8 -15.9 -15.1 -0.7 24.9 103 105 A G S > S+ 0 0 27 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.991 92.2 47.2 -70.4 -65.4 -18.6 0.1 23.6 104 106 A H T 3 S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.588 126.2 33.2 -55.9 -15.2 -19.2 -2.5 20.8 105 107 A R T 3 S+ 0 0 80 -4,-0.3 3,-0.3 1,-0.1 -1,-0.3 -0.281 74.0 113.6-140.2 56.1 -17.9 -5.2 23.2 106 108 A S S < S+ 0 0 36 -3,-1.3 -2,-0.1 1,-0.2 -3,-0.1 0.499 79.4 59.9 -90.6 -6.0 -18.9 -4.3 26.7 107 109 A Q 0 0 144 -4,-0.2 -1,-0.2 1,-0.1 -4,-0.0 -0.186 360.0 360.0-122.5 36.7 -21.1 -7.4 26.6 108 110 A K 0 0 170 -3,-0.3 -1,-0.1 0, 0.0 -3,-0.0 -0.724 360.0 360.0-155.9 360.0 -18.7 -10.4 26.0 109 ! 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 0.0 110 114 A F >> 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -34.0 -13.5 -8.4 30.4 111 115 A A H 3> + 0 0 51 1,-0.2 4,-0.6 2,-0.2 -5,-0.0 0.498 360.0 61.8 -71.4 -6.4 -16.4 -6.7 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