==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 26-JUN-97 1DDU . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.J.STOUT,C.R.SAGE,R.M.STROUD . 530 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 15.1 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 48 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 2 1 3 0 0 0 2 0 4 0 0 0 0 2 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 1 A M > 0 0 8 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 155.4 23.6 21.0 49.7 2 2 A K H > + 0 0 135 1,-0.2 4,-1.0 2,-0.2 5,-0.0 0.835 360.0 44.3 -58.8 -34.6 24.7 24.5 50.8 3 3 A Q H > S+ 0 0 58 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.873 114.5 47.5 -74.4 -42.9 25.4 25.6 47.2 4 4 A Y H >> S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.971 112.8 46.9 -66.5 -56.3 22.3 24.2 45.7 5 5 A L H 3X S+ 0 0 19 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.839 111.9 53.3 -59.3 -32.5 19.9 25.6 48.3 6 6 A E H 3X S+ 0 0 102 -4,-1.0 4,-1.3 -5,-0.3 -1,-0.3 0.871 106.8 51.7 -68.6 -34.8 21.6 28.9 48.0 7 7 A L H - 0 0 21 -2,-0.3 3,-1.7 1,-0.1 370,-0.1 -0.924 40.2 -91.1-145.6 173.3 9.1 29.2 27.6 21 21 A R T 3 S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 369,-0.0 0.820 121.4 56.1 -53.9 -38.5 8.6 26.6 24.8 22 22 A T T 3 S- 0 0 11 1,-0.1 -1,-0.3 241,-0.0 242,-0.3 0.568 106.2-133.0 -74.5 -5.7 6.8 24.1 27.2 23 23 A G S < S+ 0 0 66 -3,-1.7 -2,-0.1 1,-0.1 -1,-0.1 0.525 72.5 118.3 69.2 10.2 4.5 27.0 27.9 24 24 A T - 0 0 46 240,-0.1 -1,-0.1 1,-0.1 186,-0.1 0.805 69.7-123.5 -79.9 -32.8 4.7 26.4 31.7 25 25 A G - 0 0 12 185,-0.1 185,-1.8 184,-0.1 186,-0.3 0.123 27.3-154.4 97.4 142.4 6.3 29.6 32.9 26 26 A T E -AB 18 209A 0 -8,-1.1 -8,-2.6 183,-0.3 2,-0.5 -0.974 21.9-126.2-145.1 153.3 9.5 30.0 34.9 27 27 A L E -AB 17 208A 31 181,-2.8 181,-2.1 -2,-0.3 2,-0.4 -0.968 46.0-170.7 -94.8 130.3 11.4 32.1 37.4 28 28 A S E +AB 16 207A 1 -12,-2.7 -12,-1.8 -2,-0.5 2,-0.3 -0.943 28.4 176.9-136.1 129.1 14.8 32.8 35.8 29 29 A I E - B 0 206A 14 177,-2.4 177,-1.9 -2,-0.4 2,-0.4 -0.763 26.7-135.1-107.9 162.1 18.2 34.3 36.5 30 30 A F E + B 0 205A 5 -2,-0.3 175,-0.2 1,-0.2 174,-0.1 -0.982 67.6 16.5-122.4 126.8 21.1 34.3 33.9 31 31 A G E + 0 0 1 173,-2.2 2,-0.3 -2,-0.4 -1,-0.2 0.678 63.4 164.1 81.8 113.8 24.7 33.4 34.8 32 32 A H E - B 0 203A 27 171,-1.0 171,-2.6 -3,-0.1 2,-0.3 -0.964 14.2-167.0-157.6 148.5 25.7 31.5 37.9 33 33 A Q E + B 0 202A 47 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.996 10.1 166.5-148.3 136.5 28.7 29.6 39.3 34 34 A M E - B 0 201A 15 167,-1.6 167,-2.3 -2,-0.3 2,-0.4 -0.925 19.7-140.9-144.1 161.5 29.3 27.2 42.2 35 35 A R E - B 0 200A 89 -2,-0.3 2,-0.5 165,-0.2 165,-0.2 -0.995 5.8-164.3-136.1 135.5 32.1 24.8 43.3 36 36 A F E - B 0 199A 9 163,-1.9 163,-2.5 -2,-0.4 2,-0.7 -0.984 16.1-147.0-115.7 120.3 32.0 21.4 44.9 37 37 A N E > - B 0 198A 55 -2,-0.5 3,-1.3 161,-0.2 4,-0.2 -0.872 11.4-152.8 -84.6 116.6 35.4 20.3 46.3 38 38 A L G > S+ 0 0 7 159,-1.8 3,-0.5 -2,-0.7 -1,-0.1 0.589 87.8 70.7 -74.5 -8.4 35.2 16.6 45.8 39 39 A Q G 3 S+ 0 0 95 158,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.806 93.8 61.6 -69.3 -28.7 37.5 15.7 48.7 40 40 A D G < S- 0 0 109 -3,-1.3 2,-0.2 1,-0.3 -1,-0.2 0.652 122.2 -66.1 -73.3 -15.3 34.6 16.9 50.9 41 41 A G < - 0 0 7 -3,-0.5 -1,-0.3 -4,-0.2 188,-0.2 -0.669 60.7 -62.7 142.9 163.6 32.1 14.2 49.8 42 42 A F - 0 0 4 186,-2.2 2,-2.0 -2,-0.2 137,-0.1 -0.631 53.8-122.6 -78.1 124.5 30.1 13.1 46.8 43 43 A P + 0 0 0 0, 0.0 2,-0.5 0, 0.0 139,-0.1 -0.409 57.3 141.1 -76.8 75.1 27.7 15.9 45.8 44 44 A L - 0 0 0 -2,-2.0 132,-0.1 134,-0.1 -2,-0.1 -0.965 58.1-107.7-116.8 122.0 24.3 14.1 46.0 45 45 A V - 0 0 0 -2,-0.5 5,-0.4 130,-0.2 3,-0.2 -0.099 29.2-173.0 -55.4 130.8 21.5 16.2 47.5 46 46 A T S S+ 0 0 1 179,-0.2 209,-2.7 1,-0.1 -1,-0.1 0.586 72.2 75.8 -99.3 -12.8 20.5 15.2 50.9 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.287 111.2 18.2 -87.7 15.9 17.4 17.5 51.3 48 48 A K S S- 0 0 16 -3,-0.2 2,-0.4 207,-0.1 209,-0.3 -0.844 97.1 -95.6-166.1 149.8 15.3 15.3 49.0 49 49 A R - 0 0 151 -2,-0.2 2,-0.3 206,-0.2 209,-0.3 -0.574 38.7-161.7 -79.7 126.4 16.0 11.6 48.0 50 50 A C - 0 0 15 -2,-0.4 2,-0.9 -5,-0.4 207,-0.0 -0.834 18.3-127.4-109.1 149.1 17.7 11.1 44.7 51 51 A H >> - 0 0 90 -2,-0.3 3,-0.9 1,-0.2 4,-0.8 -0.777 21.0-177.7-100.1 92.8 17.9 8.0 42.6 52 52 A L H 3> S+ 0 0 31 -2,-0.9 4,-2.5 1,-0.2 3,-0.3 0.799 76.5 72.7 -53.7 -39.2 21.6 7.1 41.8 53 53 A R H 3> S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.815 100.4 44.7 -48.8 -37.4 20.6 4.1 39.7 54 54 A S H <> S+ 0 0 5 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.822 112.1 51.6 -78.0 -32.4 19.4 6.5 36.9 55 55 A I H X S+ 0 0 1 -4,-0.8 4,-1.7 -3,-0.3 -2,-0.2 0.829 111.9 45.5 -74.2 -35.6 22.4 8.7 37.2 56 56 A I H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.952 114.9 46.4 -77.7 -44.7 24.9 5.7 36.8 57 57 A H H X S+ 0 0 11 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.866 111.3 51.8 -66.1 -34.4 23.1 4.1 33.9 58 58 A E H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.970 112.5 45.7 -64.4 -47.2 22.7 7.3 32.1 59 59 A L H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.874 111.6 51.0 -60.4 -41.1 26.5 8.1 32.4 60 60 A L H X S+ 0 0 13 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.885 110.5 51.1 -64.4 -37.2 27.5 4.5 31.3 61 61 A W H X>S+ 0 0 2 -4,-2.0 5,-1.0 2,-0.2 4,-0.8 0.875 108.3 51.0 -65.6 -44.3 25.2 4.9 28.3 62 62 A F H ><5S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.890 109.7 50.9 -60.9 -38.9 26.8 8.3 27.3 63 63 A L H 3<5S+ 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.714 105.0 55.6 -78.1 -22.0 30.3 6.7 27.5 64 64 A Q H 3<5S- 0 0 114 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.661 112.6-117.5 -79.4 -15.1 29.3 3.8 25.3 65 65 A G T <<5 + 0 0 22 -4,-0.8 -3,-0.2 -3,-0.7 2,-0.1 0.327 64.3 146.4 96.3 -2.4 28.2 6.2 22.5 66 66 A D < + 0 0 57 -5,-1.0 -1,-0.3 29,-0.1 29,-0.3 -0.415 26.9 171.7 -77.5 141.7 24.6 5.0 22.6 67 67 A T + 0 0 27 -2,-0.1 23,-1.9 28,-0.1 2,-0.4 0.054 53.0 94.1-131.8 16.9 21.6 7.3 21.9 68 68 A N B > S-F 89 0B 39 21,-0.2 3,-0.8 22,-0.1 4,-0.4 -0.940 73.6-132.8-115.2 138.5 18.7 4.8 21.8 69 69 A I T 3> S+ 0 0 12 19,-1.8 4,-2.1 -2,-0.4 5,-0.2 0.340 84.3 97.3 -76.5 5.5 16.8 4.2 25.1 70 70 A A H 3> S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 83.7 48.8 -59.5 -47.4 16.9 0.4 24.7 71 71 A Y H <> S+ 0 0 58 -3,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.936 111.5 50.8 -53.7 -49.1 20.0 0.2 27.1 72 72 A L H 4>S+ 0 0 0 -4,-0.4 5,-2.8 1,-0.2 3,-0.3 0.813 110.3 48.2 -64.5 -34.7 18.1 2.4 29.6 73 73 A H H ><5S+ 0 0 82 -4,-2.1 3,-2.3 3,-0.2 -1,-0.2 0.911 101.8 63.0 -67.5 -45.9 15.0 0.2 29.5 74 74 A E H 3<5S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 112.2 39.7 -46.9 -28.6 17.0 -3.0 29.9 75 75 A N T 3<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.168 120.2-103.1-112.9 19.3 18.0 -1.5 33.3 76 76 A N T < 5S+ 0 0 138 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.828 72.9 139.5 60.8 37.8 14.6 0.1 34.4 77 77 A V < + 0 0 1 -5,-2.8 -1,-0.3 -8,-0.1 -2,-0.1 -0.935 20.9 169.1-111.7 130.4 15.5 3.7 33.6 78 78 A T > + 0 0 91 -2,-0.5 3,-0.7 -3,-0.1 4,-0.3 0.180 39.2 115.4-122.4 15.4 12.7 5.7 32.0 79 79 A I T 3 S+ 0 0 14 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.651 83.4 37.3 -65.4 -20.3 14.2 9.3 32.2 80 80 A W T >> S+ 0 0 5 1,-0.1 3,-1.7 2,-0.1 4,-0.9 0.563 83.7 103.5-109.7 -7.0 14.4 9.9 28.5 81 81 A D G X4 S+ 0 0 56 -3,-0.7 3,-0.7 1,-0.3 -2,-0.1 0.775 73.6 60.1 -49.2 -43.2 11.2 8.1 27.2 82 82 A E G 34 S+ 0 0 152 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.780 110.0 42.3 -57.3 -30.0 9.2 11.3 26.6 83 83 A W G <4 S+ 0 0 37 -3,-1.7 2,-0.3 5,-0.1 -1,-0.2 0.652 94.6 98.2 -95.2 -11.1 11.7 12.6 24.0 84 84 A A << - 0 0 18 -4,-0.9 6,-0.2 -3,-0.7 5,-0.1 -0.552 67.0-129.4 -85.4 137.8 12.4 9.3 22.2 85 85 A D > - 0 0 67 4,-2.3 3,-1.8 -2,-0.3 -1,-0.1 0.216 43.8 -71.2 -69.4-165.6 10.7 8.4 18.9 86 86 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.785 133.6 44.3 -59.9 -32.8 8.9 5.2 17.8 87 87 A N T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.090 120.9-100.9 -99.5 12.8 12.1 3.3 17.7 88 88 A G S < S+ 0 0 10 -3,-1.8 -19,-1.8 1,-0.2 2,-0.1 0.303 75.3 145.2 83.7 -10.6 13.6 4.5 20.9 89 89 A D B -F 68 0B 62 -21,-0.2 -4,-2.3 -5,-0.1 -1,-0.2 -0.362 34.5-177.8 -74.2 140.3 15.9 7.0 19.1 90 90 A L - 0 0 3 -23,-1.9 52,-2.5 1,-0.3 53,-0.3 0.288 43.0-123.9-110.5 3.5 16.9 10.4 20.5 91 91 A G - 0 0 24 50,-0.2 2,-2.8 -24,-0.2 -1,-0.3 -0.210 63.4 -25.5 75.1-175.5 19.0 11.5 17.5 92 92 A P S S+ 0 0 13 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 -0.136 90.2 145.1 -72.4 54.0 22.7 12.6 17.7 93 93 A V >> - 0 0 4 -2,-2.8 4,-1.5 -26,-0.1 3,-1.4 0.107 64.4 -44.6 -82.3-161.5 22.7 13.7 21.4 94 94 A Y H 3> S+ 0 0 8 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.678 130.9 51.5 -33.3 -52.8 25.4 13.5 24.1 95 95 A G H 3> S+ 0 0 0 -29,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.876 114.9 42.9 -58.2 -44.1 26.7 10.0 23.6 96 96 A K H <> S+ 0 0 49 -3,-1.4 4,-2.5 -5,-0.2 3,-0.2 0.932 113.1 49.4 -69.9 -50.1 27.2 10.5 19.8 97 97 A Q H < S+ 0 0 0 -4,-1.5 4,-0.3 -5,-0.3 14,-0.3 0.890 114.6 49.0 -57.5 -37.4 28.8 14.0 20.0 98 98 A W H < S+ 0 0 3 -4,-2.4 13,-1.4 -5,-0.2 14,-0.8 0.825 122.4 27.4 -68.7 -39.6 31.2 12.6 22.7 99 99 A R H < S+ 0 0 57 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.2 0.641 137.4 15.0-100.7 -18.5 32.4 9.4 21.0 100 100 A A < + 0 0 29 -4,-2.5 10,-0.2 -5,-0.2 -1,-0.2 -0.455 63.5 179.1-159.5 70.6 32.0 10.2 17.3 101 101 A W E -G 109 0C 1 8,-1.9 8,-1.7 -4,-0.3 2,-0.1 -0.737 34.7-126.1 -74.6 115.5 31.6 13.9 16.4 102 102 A P E -G 108 0C 11 0, 0.0 299,-0.3 0, 0.0 6,-0.2 -0.373 21.2-151.1 -61.6 133.5 31.4 14.0 12.6 103 103 A T > - 0 0 1 4,-2.3 3,-0.8 298,-0.1 299,-0.1 -0.469 28.7-107.2 -96.7 171.2 33.8 16.3 10.7 104 104 A P T 3 S+ 0 0 43 0, 0.0 2,-0.6 0, 0.0 267,-0.2 0.922 118.6 53.4 -62.6 -37.7 33.2 18.0 7.2 105 105 A D T 3 S- 0 0 97 296,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.266 124.6 -95.6 -94.9 50.4 35.7 15.5 5.6 106 106 A G S < S+ 0 0 64 -3,-0.8 -1,-0.1 -2,-0.6 2,-0.1 0.438 82.7 126.8 61.3 1.5 34.1 12.2 6.8 107 107 A R - 0 0 88 294,-0.1 -4,-2.3 -5,-0.0 2,-0.4 -0.300 47.1-144.4 -77.0 171.2 36.3 11.7 10.0 108 108 A H E -G 102 0C 112 -6,-0.2 2,-0.4 -2,-0.1 -8,-0.0 -0.988 7.5-150.2-141.3 129.9 35.0 11.1 13.5 109 109 A I E -G 101 0C 35 -8,-1.7 -8,-1.9 -2,-0.4 2,-1.0 -0.864 6.9-145.3-105.1 131.0 36.7 12.3 16.6 110 110 A D > - 0 0 33 -2,-0.4 4,-1.6 -10,-0.2 -11,-0.2 -0.830 14.3-174.3-102.1 109.7 36.4 10.6 19.9 111 111 A Q H > S+ 0 0 6 -13,-1.4 4,-1.1 -2,-1.0 -12,-0.2 0.584 77.8 54.2 -79.5 -14.4 36.4 13.3 22.5 112 112 A I H > S+ 0 0 0 -14,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.948 111.6 40.9 -87.7 -50.4 36.5 10.9 25.5 113 113 A T H > S+ 0 0 45 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.821 115.2 56.0 -65.5 -25.6 39.7 8.9 24.6 114 114 A T H X S+ 0 0 58 -4,-1.6 4,-1.8 2,-0.2 3,-0.2 0.930 105.2 49.0 -65.4 -47.6 41.2 12.3 23.4 115 115 A V H X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.822 110.8 53.8 -61.1 -30.2 40.6 14.0 26.8 116 116 A L H X S+ 0 0 27 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.817 106.8 48.4 -76.9 -31.1 42.2 10.9 28.4 117 117 A N H X S+ 0 0 96 -4,-1.5 4,-2.6 -3,-0.2 5,-0.4 0.805 112.6 50.7 -74.4 -28.7 45.4 11.1 26.2 118 118 A Q H X S+ 0 0 44 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.947 109.9 48.4 -70.8 -47.4 45.6 14.8 27.2 119 119 A L H < S+ 0 0 6 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.895 118.2 42.6 -59.3 -37.4 45.2 14.0 30.9 120 120 A K H < S+ 0 0 145 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.950 131.3 18.2 -71.4 -51.7 48.0 11.4 30.5 121 121 A N H < S+ 0 0 119 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.646 138.0 21.0-100.7 -22.6 50.5 13.2 28.3 122 122 A D >< + 0 0 93 -4,-2.4 3,-1.8 -5,-0.4 -1,-0.2 -0.420 60.5 156.6-144.8 63.5 49.7 16.9 28.5 123 123 A P T 3 S+ 0 0 41 0, 0.0 31,-0.7 0, 0.0 -4,-0.1 0.622 75.4 65.1 -65.4 -12.1 47.7 17.6 31.7 124 124 A D T 3 S+ 0 0 50 -6,-0.1 162,-0.2 29,-0.1 2,-0.1 0.315 76.9 123.9 -92.6 5.2 48.8 21.2 31.6 125 125 A S < - 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