==== 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 19-JAN-08 3C0A . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR R.LEONE,S.MANGANI,L.CANCIAN,M.P.COSTI,R.LUCIANI,S.FERRARI . 289 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 1 1 0 1 0 2 1 1 0 0 0 0 1 0 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 0 124 0, 0.0 3,-1.3 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 159.8 -54.0 7.1 33.6 2 2 A L T 3 + 0 0 30 1,-0.3 4,-0.1 2,-0.2 38,-0.1 0.693 360.0 48.0 -61.0 -27.1 -51.3 9.9 33.4 3 3 A E T >> S+ 0 0 11 1,-0.2 3,-1.2 2,-0.1 4,-1.1 0.494 82.8 98.6-100.8 -7.5 -48.6 7.6 31.9 4 4 A Q H <> S+ 0 0 69 -3,-1.3 4,-2.8 1,-0.3 3,-0.3 0.850 72.9 63.6 -46.2 -45.9 -51.0 6.2 29.3 5 5 A P H 3> S+ 0 0 32 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.884 102.8 50.7 -50.9 -36.8 -49.6 8.7 26.6 6 6 A Y H <> S+ 0 0 0 -3,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.870 111.2 46.6 -62.4 -44.3 -46.2 6.8 27.0 7 7 A L H X S+ 0 0 12 -4,-1.1 4,-3.1 -3,-0.3 -1,-0.2 0.894 109.5 54.7 -69.7 -43.4 -47.7 3.4 26.5 8 8 A D H X S+ 0 0 62 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.820 109.3 48.2 -51.3 -40.4 -49.8 4.6 23.5 9 9 A L H X S+ 0 0 0 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.818 112.9 46.6 -76.0 -36.3 -46.6 5.8 21.8 10 10 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 3,-0.2 0.939 113.1 49.3 -70.6 -46.7 -44.7 2.6 22.5 11 11 A K H X S+ 0 0 85 -4,-3.1 4,-2.6 1,-0.2 3,-0.4 0.960 112.4 50.4 -46.2 -53.6 -47.7 0.6 21.2 12 12 A K H X S+ 0 0 68 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.737 109.0 48.0 -64.5 -32.1 -47.9 2.8 18.0 13 13 A V H X S+ 0 0 0 -4,-1.4 4,-0.6 -3,-0.2 -1,-0.3 0.756 112.7 52.4 -75.9 -26.7 -44.2 2.5 17.1 14 14 A L H < S+ 0 0 44 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.1 0.942 121.1 29.2 -71.5 -53.0 -44.6 -1.2 17.6 15 15 A D H < S+ 0 0 106 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.993 140.2 14.9 -72.7 -71.3 -47.6 -1.5 15.3 16 16 A E H < S+ 0 0 111 -4,-1.1 -3,-0.2 -5,-0.1 -2,-0.1 0.126 90.8 128.9 -96.2 25.4 -47.1 1.3 12.7 17 17 A G < - 0 0 13 -4,-0.6 2,-0.4 9,-0.1 11,-0.2 -0.366 55.3-122.1 -71.2 158.7 -43.5 2.2 13.2 18 18 A H E -A 27 0A 130 9,-2.9 9,-2.8 -2,-0.0 2,-0.2 -0.867 19.4-125.3-101.5 137.5 -41.1 2.4 10.3 19 19 A F E +A 26 0A 122 -2,-0.4 7,-0.2 7,-0.2 -1,-0.0 -0.494 33.4 163.1 -75.0 143.8 -37.9 0.3 9.9 20 20 A K E A 25 0A 100 5,-1.6 5,-3.4 -2,-0.2 -2,-0.0 -0.901 360.0 360.0-157.3 138.4 -34.5 1.8 9.3 21 21 A P 0 0 148 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.188 360.0 360.0 -83.9 360.0 -30.9 0.5 9.7 22 ! 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 23 26 A T 0 0 136 0, 0.0 218,-0.1 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0 137.0 -29.2 -3.5 15.0 24 27 A G - 0 0 13 1,-0.1 216,-2.0 215,-0.1 217,-0.2 0.118 360.0-107.2 -87.2-163.6 -31.6 -0.9 13.4 25 28 A T E -AB 20 239A 17 -5,-3.4 -5,-1.6 214,-0.2 2,-0.4 -0.719 3.8-139.2-128.4 171.2 -34.8 0.9 14.5 26 29 A Y E +AB 19 238A 75 212,-2.0 212,-3.1 -7,-0.2 2,-0.3 -0.985 43.6 175.3-124.8 117.1 -38.6 1.2 14.3 27 30 A S E -AB 18 237A 5 -9,-2.8 -9,-2.9 -2,-0.4 2,-0.3 -0.899 29.2-160.7-136.3 160.7 -39.5 4.9 14.4 28 31 A I E - B 0 236A 17 208,-2.1 208,-2.2 -2,-0.3 2,-0.4 -0.985 17.6-140.5-137.5 139.9 -42.3 7.5 14.1 29 32 A F E S+ B 0 235A 168 -2,-0.3 206,-0.2 206,-0.2 205,-0.2 -0.893 74.3 12.5-107.1 121.7 -42.0 11.3 13.3 30 33 A G S S+ 0 0 47 204,-2.5 -1,-0.1 -2,-0.4 204,-0.1 0.416 74.0 155.2 101.8 -3.7 -44.0 14.0 14.9 31 34 A H - 0 0 43 203,-0.4 202,-2.5 -3,-0.1 2,-0.4 -0.194 23.2-158.2 -60.5 143.0 -45.7 12.4 18.0 32 35 A Q E -C 232 0A 80 200,-0.2 2,-0.4 2,-0.0 200,-0.2 -0.941 6.2-164.1-119.9 145.8 -46.8 14.4 21.1 33 36 A M E -C 231 0A 1 198,-2.6 198,-3.1 -2,-0.4 2,-0.4 -0.996 7.7-159.8-124.0 135.9 -47.6 13.4 24.7 34 37 A R E -C 230 0A 134 -2,-0.4 2,-0.4 196,-0.2 196,-0.2 -0.928 6.9-174.5-115.4 146.2 -49.5 15.5 27.2 35 38 A F E -C 229 0A 3 194,-1.8 194,-2.5 -2,-0.4 2,-0.8 -0.945 19.9-146.0-143.9 107.9 -49.4 15.2 31.1 36 39 A D E > -C 228 0A 63 -2,-0.4 3,-1.7 192,-0.2 192,-0.2 -0.668 14.5-162.6 -68.8 104.8 -51.6 17.2 33.4 37 40 A L T 3 S+ 0 0 5 190,-2.5 3,-0.4 -2,-0.8 -1,-0.1 0.524 83.0 70.5 -82.6 -1.1 -49.1 17.7 36.3 38 41 A S T 3 S+ 0 0 86 189,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.498 92.5 58.9 -84.9 -8.3 -52.0 18.6 38.7 39 42 A K S < S- 0 0 165 -3,-1.7 218,-0.3 1,-0.4 2,-0.3 0.360 126.2 -72.1 -98.2 2.7 -53.2 14.9 38.5 40 43 A G - 0 0 7 -3,-0.4 -1,-0.4 -4,-0.1 219,-0.2 -0.884 64.0 -52.7 140.9-169.9 -49.8 13.6 39.9 41 44 A F - 0 0 0 217,-3.3 2,-0.7 -2,-0.3 168,-0.1 -0.926 43.3-129.6-106.1 133.9 -46.2 13.2 38.8 42 45 A P + 0 0 3 0, 0.0 2,-0.4 0, 0.0 167,-0.1 -0.104 55.2 136.4 -78.9 35.9 -45.3 11.3 35.5 43 46 A L - 0 0 2 -2,-0.7 2,-0.1 215,-0.1 -2,-0.1 -0.700 65.5-105.4 -71.9 130.6 -42.8 8.8 36.7 44 47 A L - 0 0 1 -2,-0.4 5,-0.4 161,-0.3 3,-0.1 -0.369 32.7-174.3 -58.9 129.1 -43.7 5.4 35.1 45 48 A T S S+ 0 0 1 210,-0.1 240,-3.1 1,-0.1 -1,-0.1 0.694 80.4 70.4 -87.8 -24.7 -45.3 2.8 37.3 46 49 A T S S+ 0 0 0 238,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.465 116.7 17.1 -70.3 -1.4 -45.3 0.1 34.6 47 50 A K S S- 0 0 15 238,-0.1 2,-0.4 -3,-0.1 240,-0.2 -0.905 94.6-101.0-162.9 142.4 -41.5 -0.0 35.1 48 51 A K - 0 0 116 -2,-0.3 240,-0.2 236,-0.1 -3,-0.1 -0.577 34.5-165.4 -73.1 127.0 -39.3 1.3 37.9 49 52 A V - 0 0 2 -5,-0.4 2,-1.2 -2,-0.4 -2,-0.0 -0.971 23.4-123.7-118.1 116.9 -37.6 4.6 37.1 50 53 A P >> - 0 0 55 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.447 28.8-176.2 -61.0 88.9 -34.6 5.8 39.3 51 54 A F H 3> S+ 0 0 21 -2,-1.2 4,-3.0 1,-0.2 5,-0.0 0.596 75.8 59.4 -65.4 -20.2 -35.8 9.2 40.5 52 55 A G H 3> S+ 0 0 32 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.720 105.6 50.9 -84.2 -24.8 -32.7 10.2 42.4 53 56 A L H <> S+ 0 0 53 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.857 113.2 44.7 -70.5 -41.0 -30.7 9.9 39.2 54 57 A I H X S+ 0 0 1 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.997 116.0 49.8 -59.7 -64.3 -33.4 12.1 37.5 55 58 A K H X S+ 0 0 28 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.738 114.2 41.7 -37.1 -45.4 -33.1 14.4 40.6 56 59 A S H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.888 111.9 52.4 -84.0 -36.0 -29.4 14.7 40.6 57 60 A E H X S+ 0 0 23 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.626 110.0 51.8 -77.0 -14.1 -28.8 15.1 36.9 58 61 A L H X S+ 0 0 2 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.864 109.5 46.8 -76.9 -45.6 -31.3 17.9 36.9 59 62 A L H X S+ 0 0 0 -4,-1.2 4,-0.9 1,-0.2 6,-0.2 0.870 107.4 59.1 -71.2 -32.3 -29.7 19.8 39.7 60 63 A W H ><>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 3,-0.9 0.958 109.2 42.6 -53.6 -56.5 -26.3 19.3 38.0 61 64 A F H ><5S+ 0 0 7 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.817 111.0 57.5 -52.4 -36.0 -27.7 21.2 34.8 62 65 A L H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.590 101.1 54.3 -86.7 -11.2 -29.3 23.8 37.0 63 66 A H T <<5S- 0 0 63 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.460 115.6-115.6 -86.2 -6.0 -26.0 24.7 38.7 64 67 A G T < 5 + 0 0 24 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.645 66.2 155.3 75.5 18.9 -24.6 25.3 35.2 65 68 A D < + 0 0 44 -5,-1.9 60,-0.3 -6,-0.2 -1,-0.2 -0.590 28.4 169.8 -89.5 136.0 -22.2 22.4 36.1 66 69 A T + 0 0 20 -2,-0.3 54,-3.1 59,-0.1 55,-0.5 0.128 47.7 106.3-126.1 9.8 -20.6 20.2 33.3 67 70 A N B > -G 119 0B 27 52,-0.3 3,-0.8 53,-0.1 4,-0.3 -0.842 66.0-139.7 -93.5 131.4 -18.1 18.3 35.5 68 71 A I T >> S+ 0 0 0 50,-1.8 3,-2.4 -2,-0.5 4,-1.8 0.839 89.4 80.7 -54.2 -38.8 -18.8 14.6 36.4 69 72 A R H 3> S+ 0 0 48 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.831 87.2 55.7 -37.2 -49.8 -17.6 14.9 40.0 70 73 A F H <4 S+ 0 0 25 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.808 110.0 46.6 -56.9 -29.4 -21.0 16.4 41.2 71 74 A L H X4>S+ 0 0 0 -3,-2.4 5,-3.0 -4,-0.3 3,-0.5 0.877 112.3 48.4 -87.5 -38.4 -22.8 13.4 39.8 72 75 A L H ><5S+ 0 0 13 -4,-1.8 3,-0.7 3,-0.2 -2,-0.2 0.593 103.0 62.2 -66.3 -18.0 -20.4 10.9 41.3 73 76 A Q T 3<5S+ 0 0 117 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.347 109.8 45.0 -89.1 7.7 -20.7 12.7 44.7 74 77 A H T < 5S- 0 0 48 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.234 118.5-110.0-136.2 6.5 -24.3 11.7 44.4 75 78 A R T < 5S+ 0 0 184 -3,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.665 74.6 136.0 67.9 20.6 -23.9 8.1 43.3 76 79 A N < + 0 0 0 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.913 27.0 173.7-101.8 122.9 -25.2 9.0 39.8 77 80 A H > + 0 0 71 -2,-0.5 3,-0.7 1,-0.1 4,-0.3 0.108 41.8 116.2-118.0 15.6 -23.3 7.4 37.0 78 81 A I T 3 S+ 0 0 51 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.829 82.2 32.0 -50.6 -48.6 -25.5 8.6 34.1 79 82 A W T 3> S+ 0 0 37 1,-0.2 4,-0.6 -3,-0.2 3,-0.4 0.411 88.4 101.3-101.5 5.1 -23.1 10.9 32.3 80 83 A D H <> + 0 0 0 -3,-0.7 4,-3.1 1,-0.2 3,-0.4 0.689 66.1 70.8 -63.6 -30.6 -19.8 9.1 33.0 81 84 A E H > S+ 0 0 124 -3,-0.3 4,-3.2 -4,-0.3 -1,-0.2 0.925 99.6 44.2 -58.3 -52.0 -19.4 7.3 29.6 82 85 A W H 4 S+ 0 0 73 -3,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.652 114.8 52.0 -73.8 -16.6 -18.6 10.4 27.5 83 86 A A H >< S+ 0 0 0 -4,-0.6 3,-1.1 -3,-0.4 -2,-0.2 0.909 111.4 44.8 -73.3 -54.1 -16.3 11.6 30.2 84 87 A F H >X S+ 0 0 11 -4,-3.1 3,-1.8 1,-0.3 4,-1.1 0.906 109.8 58.2 -52.8 -44.7 -14.5 8.1 30.3 85 88 A E H 3X S+ 0 0 63 -4,-3.2 4,-1.0 1,-0.3 -1,-0.3 0.768 102.4 54.8 -52.6 -32.4 -14.5 8.4 26.4 86 89 A K H <4 S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.343 106.6 49.2 -91.1 3.8 -12.6 11.7 26.8 87 90 A W H <4 S+ 0 0 28 -3,-1.8 6,-0.5 -4,-0.2 3,-0.3 0.553 107.4 52.0-115.0 -18.5 -9.7 10.3 28.8 88 91 A V H < S+ 0 0 40 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.833 107.4 49.7 -90.2 -35.2 -8.9 7.2 26.7 89 92 A K S < S+ 0 0 159 -4,-1.0 -1,-0.2 3,-0.0 -3,-0.1 0.193 102.1 109.2 -82.6 18.9 -8.5 9.1 23.3 90 93 A S S S- 0 0 45 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.0 0.058 86.7-109.5 -86.4-171.6 -6.2 11.4 25.3 91 94 A D S S+ 0 0 162 1,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.558 114.6 50.7 -89.5 -15.7 -2.5 12.2 25.5 92 95 A E S S+ 0 0 81 -5,-0.2 -4,-0.1 2,-0.0 -1,-0.1 0.834 76.1 121.8 -92.5 -38.0 -2.4 10.6 28.9 93 96 A Y 0 0 75 -6,-0.5 -5,-0.1 1,-0.1 -6,-0.0 0.066 360.0 360.0 -52.6 131.4 -4.0 7.1 28.6 94 97 A H 0 0 206 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.388 360.0 360.0-126.5 360.0 -2.1 3.9 29.4 95 ! 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 96 118 A Y > 0 0 188 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -95.3 -13.4 -1.3 31.1 97 119 A H T 4 + 0 0 176 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.639 360.0 29.6 -40.5 -31.9 -15.6 -2.4 34.1 98 120 A E T >> S+ 0 0 129 2,-0.1 3,-1.4 3,-0.1 4,-0.6 0.804 114.4 56.7 -96.5 -37.6 -12.7 -1.8 36.6 99 121 A E H 3> S+ 0 0 69 -3,-0.4 4,-1.5 1,-0.3 -2,-0.2 0.587 102.2 61.6 -68.1 -8.9 -10.7 1.0 35.0 100 122 A M H 3X S+ 0 0 37 -4,-1.6 4,-0.6 2,-0.2 -1,-0.3 0.592 97.5 55.6 -89.9 -17.8 -14.0 2.9 35.0 101 123 A A H <> S+ 0 0 43 -3,-1.4 4,-0.8 -5,-0.3 -2,-0.2 0.644 104.5 57.4 -80.6 -17.6 -13.9 2.7 38.8 102 124 A K H >X S+ 0 0 100 -4,-0.6 4,-2.2 2,-0.2 3,-1.3 0.980 99.9 53.5 -70.9 -64.3 -10.4 4.3 38.5 103 125 A F H 3X S+ 0 0 4 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.782 107.2 57.0 -31.6 -42.0 -11.7 7.4 36.6 104 126 A D H 3X S+ 0 0 15 -4,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.716 108.9 37.9 -80.7 -31.1 -14.2 7.9 39.5 105 127 A D H X - 0 0 61 -4,-2.7 4,-3.0 -5,-0.2 3,-1.7 -0.893 53.4-166.2-118.5 101.8 -8.0 15.0 42.2 111 133 A D H 3> S+ 0 0 123 -2,-0.6 4,-0.8 1,-0.3 -1,-0.1 0.840 90.4 50.2 -54.7 -44.1 -8.8 18.7 41.3 112 134 A A H 34 S+ 0 0 79 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.517 115.7 44.5 -75.2 -7.5 -6.3 18.8 38.4 113 135 A F H X>>S+ 0 0 5 -3,-1.7 4,-2.4 -7,-0.2 3,-0.9 0.804 108.3 54.2 -98.6 -46.8 -7.8 15.6 37.0 114 136 A A H 3<5S+ 0 0 5 -4,-3.0 5,-0.5 -8,-0.3 -45,-0.2 0.653 106.0 58.2 -56.6 -18.5 -11.5 16.5 37.4 115 137 A A T 3<5S+ 0 0 67 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.1 0.769 113.7 33.6 -87.9 -28.5 -10.7 19.6 35.4 116 138 A K T <45S+ 0 0 117 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.920 137.2 16.5 -86.5 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