==== 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 TRANSFERASE 27-AUG-01 1JUT . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.H.SAYRE,J.S.FINER-MOORE,T.A.FRITZ,D.BIERMANN,S.B.GATES, . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.7 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 . 82 15.5 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 . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 0 2 0 0 2 2 2 0 0 0 0 0 2 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 0 2 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 X > 0 0 5 0, 0.0 4,-2.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 146.5 23.2 20.6 49.8 2 2 A K H > + 0 0 137 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.811 360.0 45.6 -36.0 -56.2 24.1 24.2 50.7 3 3 A Q H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.928 114.9 48.0 -59.5 -46.9 25.1 25.3 47.3 4 4 A Y H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 3,-0.3 0.939 113.7 45.6 -60.1 -50.2 22.0 23.8 45.6 5 5 A L H X S+ 0 0 18 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.893 110.1 54.5 -63.3 -38.5 19.6 25.2 48.1 6 6 A E H X S+ 0 0 108 -4,-2.5 4,-1.1 -5,-0.4 -1,-0.2 0.845 107.0 52.1 -64.1 -30.2 21.2 28.6 47.9 7 7 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.904 107.9 51.4 -70.9 -42.9 20.7 28.5 44.2 8 8 A M H >X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.5 0.977 110.0 47.3 -57.1 -57.2 17.0 27.7 44.6 9 9 A Q H 3X S+ 0 0 103 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.790 110.0 57.0 -58.1 -23.7 16.4 30.6 47.0 10 10 A K H 3X S+ 0 0 55 -4,-1.1 4,-2.7 -5,-0.2 -1,-0.3 0.920 104.6 48.2 -74.1 -41.3 18.4 32.8 44.5 11 11 A V H - 0 0 15 -2,-0.3 3,-3.5 1,-0.1 370,-0.1 -0.943 33.4 -97.3-141.9 164.1 8.8 29.1 27.7 21 21 A R T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.3 369,-0.1 0.757 121.2 49.7 -36.8 -42.3 8.9 26.5 24.9 22 22 A T T 3 S- 0 0 31 241,-0.1 -1,-0.3 1,-0.0 242,-0.2 0.561 107.8-124.5 -81.8 -7.5 6.7 24.1 26.9 23 23 A G S < S+ 0 0 71 -3,-3.5 -2,-0.1 240,-0.1 -1,-0.0 0.630 82.9 110.9 74.4 12.1 4.1 26.7 27.7 24 24 A T S S- 0 0 43 -4,-0.1 -3,-0.1 186,-0.0 -5,-0.1 0.856 72.8-131.3 -85.3 -39.5 4.5 26.0 31.5 25 25 A G - 0 0 11 185,-0.1 185,-2.6 184,-0.1 186,-0.3 0.255 20.3-143.7 94.8 139.0 6.2 29.3 32.5 26 26 A T E -AB 18 209A 7 -8,-3.1 -8,-2.8 183,-0.3 2,-0.6 -0.846 18.8-129.4-134.3 167.1 9.4 29.7 34.6 27 27 A L E -AB 17 208A 31 181,-2.4 181,-2.4 -2,-0.3 2,-0.4 -0.993 49.4-171.6-112.6 118.2 11.0 31.8 37.2 28 28 A S E -AB 16 207A 0 -12,-2.1 -12,-2.3 -2,-0.6 2,-0.3 -0.948 29.0-178.7-130.8 140.2 14.4 32.4 35.6 29 29 A I E - B 0 206A 15 177,-2.7 177,-2.4 -2,-0.4 2,-0.5 -0.870 22.9-137.4-120.8 158.0 17.8 33.9 36.3 30 30 A F E + B 0 205A 5 -2,-0.3 175,-0.2 175,-0.2 174,-0.2 -0.967 67.1 16.0-123.5 122.1 20.7 34.1 33.8 31 31 A G E + 0 0 1 173,-2.1 2,-0.3 -2,-0.5 -1,-0.2 0.645 63.4 158.3 88.0 114.1 24.3 33.3 34.7 32 32 A H E - B 0 203A 23 171,-1.1 171,-2.4 -3,-0.1 2,-0.3 -0.967 16.8-165.2-159.7 158.7 25.4 31.4 37.9 33 33 A Q E + B 0 202A 41 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.977 9.0 170.8-154.1 136.4 28.3 29.4 39.2 34 34 A M E - B 0 201A 13 167,-2.3 167,-2.6 -2,-0.3 2,-0.3 -0.984 18.1-142.6-144.0 155.5 28.9 27.0 42.1 35 35 A R E - B 0 200A 82 -2,-0.3 2,-0.4 165,-0.2 165,-0.2 -0.902 5.6-164.2-122.9 147.8 31.7 24.7 43.2 36 36 A F E - B 0 199A 5 163,-1.5 163,-2.5 -2,-0.3 2,-1.2 -0.967 15.4-145.8-131.8 114.6 31.7 21.3 44.8 37 37 A N E >> - B 0 198A 63 -2,-0.4 3,-2.5 161,-0.2 4,-0.5 -0.706 12.1-157.0 -79.5 103.6 34.9 20.0 46.3 38 38 A L G >4 S+ 0 0 5 159,-1.7 3,-0.7 -2,-1.2 -1,-0.2 0.707 87.4 68.7 -56.0 -20.5 34.5 16.3 45.6 39 39 A Q G 34 S+ 0 0 91 158,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.751 90.2 63.4 -71.4 -21.1 36.8 15.4 48.4 40 40 A D G <4 S- 0 0 109 -3,-2.5 -1,-0.2 1,-0.3 2,-0.2 0.769 125.1 -77.4 -71.4 -25.6 34.2 16.7 50.8 41 41 A G << - 0 0 9 -3,-0.7 -1,-0.3 -4,-0.5 188,-0.2 -0.782 62.6 -47.4 146.7 171.0 31.9 13.9 49.6 42 42 A F - 0 0 2 186,-2.5 2,-2.6 -2,-0.2 137,-0.1 -0.607 51.9-130.1 -76.0 119.9 29.7 12.9 46.7 43 43 A P + 0 0 2 0, 0.0 2,-0.6 0, 0.0 139,-0.1 -0.298 52.8 144.9 -69.0 60.7 27.3 15.8 45.8 44 44 A L - 0 0 0 -2,-2.6 132,-0.1 184,-0.1 -2,-0.0 -0.903 57.4-106.3-102.6 123.3 24.1 13.9 45.8 45 45 A V - 0 0 2 -2,-0.6 5,-0.3 130,-0.2 3,-0.1 -0.189 34.5-178.3 -49.6 128.4 21.1 16.0 47.0 46 46 A T + 0 0 0 179,-0.1 209,-2.8 1,-0.1 -1,-0.1 0.536 67.9 79.4-106.7 -12.0 19.9 15.0 50.5 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 175,-0.1 -1,-0.1 0.475 112.0 16.6 -76.6 0.1 17.0 17.3 51.0 48 48 A K S S- 0 0 15 -3,-0.1 2,-0.4 207,-0.1 209,-0.3 -0.927 97.3 -95.3-161.3 152.7 14.9 14.9 48.9 49 49 A R - 0 0 137 -2,-0.3 2,-0.3 205,-0.2 209,-0.3 -0.645 39.9-159.8 -80.0 129.1 15.6 11.3 47.9 50 50 A C - 0 0 10 -2,-0.4 2,-1.4 -5,-0.3 3,-0.2 -0.856 23.1-117.7-112.2 147.7 17.3 10.9 44.5 51 51 A H > + 0 0 99 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 -0.629 30.4 177.8 -81.5 87.4 17.4 7.8 42.2 52 52 A L H > S+ 0 0 33 -2,-1.4 4,-2.7 1,-0.2 3,-0.3 0.944 78.4 63.0 -55.1 -46.0 21.2 7.0 42.1 53 53 A R H > S+ 0 0 75 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.844 104.4 44.7 -46.1 -46.9 20.3 3.9 40.0 54 54 A S H > S+ 0 0 7 -3,-0.5 4,-2.2 2,-0.2 -1,-0.3 0.883 111.4 53.6 -69.3 -38.1 18.9 6.1 37.1 55 55 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.963 110.5 45.9 -61.8 -51.6 21.8 8.5 37.3 56 56 A I H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.949 112.2 50.0 -57.9 -51.3 24.4 5.9 36.9 57 57 A H H X S+ 0 0 13 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.892 108.2 53.3 -57.9 -38.2 22.7 4.0 34.1 58 58 A E H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.943 110.9 46.6 -61.9 -45.6 22.2 7.2 32.1 59 59 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.888 110.7 50.5 -63.4 -42.3 25.9 8.0 32.3 60 60 A L H X S+ 0 0 15 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.928 110.4 52.9 -61.0 -40.1 27.0 4.5 31.4 61 61 A W H <>S+ 0 0 3 -4,-2.4 5,-1.9 -5,-0.3 3,-0.5 0.910 108.4 48.6 -60.1 -47.2 24.6 4.9 28.5 62 62 A F H ><5S+ 0 0 2 -4,-2.3 3,-2.5 1,-0.2 -2,-0.2 0.954 109.1 53.0 -57.7 -53.7 26.3 8.2 27.4 63 63 A L H 3<5S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.703 103.2 57.4 -58.6 -22.3 29.8 6.7 27.6 64 64 A Q T 3<5S- 0 0 117 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.610 114.7-119.2 -82.8 -10.9 28.7 3.8 25.4 65 65 A G T < 5 + 0 0 21 -3,-2.5 -3,-0.2 -4,-0.4 2,-0.2 0.665 60.8 155.1 81.4 19.4 27.8 6.4 22.7 66 66 A D < + 0 0 51 -5,-1.9 29,-0.4 29,-0.1 -1,-0.2 -0.503 27.0 171.2 -84.2 148.7 24.2 5.2 22.8 67 67 A T + 0 0 28 -2,-0.2 23,-1.7 28,-0.1 2,-0.4 0.282 55.2 89.0-136.1 5.6 21.2 7.4 21.9 68 68 A N B > S-F 89 0B 36 21,-0.2 3,-0.7 22,-0.1 4,-0.3 -0.906 71.4-137.8-107.6 136.1 18.4 4.8 21.8 69 69 A I T 3> S+ 0 0 10 19,-2.7 4,-2.3 -2,-0.4 3,-0.2 0.473 79.6 99.2 -73.4 -2.8 16.5 4.2 25.1 70 70 A A H 3> S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.922 83.2 51.6 -50.0 -48.1 16.3 0.4 24.8 71 71 A Y H <> S+ 0 0 60 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.900 108.9 49.8 -55.1 -46.4 19.3 0.1 27.1 72 72 A L H 4>S+ 0 0 0 -4,-0.3 5,-3.0 1,-0.2 -1,-0.2 0.865 110.9 51.2 -62.6 -36.4 17.7 2.3 29.7 73 73 A H H ><5S+ 0 0 83 -4,-2.3 3,-2.3 3,-0.2 -2,-0.2 0.923 101.1 58.8 -67.7 -44.0 14.6 0.2 29.5 74 74 A E H 3<5S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 113.8 42.7 -50.9 -35.8 16.4 -3.0 30.0 75 75 A N T 3<5S- 0 0 47 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.084 118.8-109.0-104.8 34.3 17.5 -1.4 33.3 76 76 A N T < 5S+ 0 0 130 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.778 70.6 139.1 46.8 40.1 14.1 0.1 34.3 77 77 A V < + 0 0 1 -5,-3.0 3,-0.2 -8,-0.2 -1,-0.2 -0.968 20.2 169.7-115.6 123.6 15.1 3.7 33.7 78 78 A T > + 0 0 82 -2,-0.5 3,-1.5 1,-0.1 4,-0.3 0.175 38.1 116.6-118.8 15.4 12.4 5.8 32.0 79 79 A I T 3 S+ 0 0 49 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.576 82.9 42.5 -63.7 -11.2 13.7 9.3 32.4 80 80 A W T >> S+ 0 0 26 -3,-0.2 3,-1.0 1,-0.1 4,-0.7 0.311 80.5 104.4-116.7 7.9 14.0 9.8 28.6 81 81 A D G X4 S+ 0 0 60 -3,-1.5 3,-1.1 1,-0.2 -2,-0.1 0.894 71.8 62.8 -56.0 -45.8 10.7 8.2 27.5 82 82 A E G 34 S+ 0 0 87 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.701 109.5 37.5 -54.1 -27.6 8.9 11.5 26.8 83 83 A W G <4 S+ 0 0 45 -3,-1.0 -1,-0.2 5,-0.1 2,-0.2 0.482 91.3 106.5-107.8 -2.4 11.3 12.6 24.0 84 84 A A << - 0 0 24 -3,-1.1 6,-0.2 -4,-0.7 -16,-0.1 -0.534 64.6-127.6 -80.5 140.9 11.9 9.3 22.3 85 85 A D > - 0 0 81 4,-2.4 3,-3.3 -2,-0.2 -1,-0.1 -0.201 42.8 -77.4 -79.8 177.9 10.4 8.5 19.0 86 86 A E T 3 S+ 0 0 199 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.669 134.1 47.5 -46.5 -24.3 8.3 5.5 18.0 87 87 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 -18,-0.0 3,-0.1 0.406 120.5-103.8-101.4 -0.7 11.6 3.5 17.7 88 88 A G S < S+ 0 0 10 -3,-3.3 -19,-2.7 1,-0.3 2,-0.3 0.489 75.2 141.0 91.3 4.4 13.2 4.6 21.0 89 89 A D B -F 68 0B 62 -21,-0.2 -4,-2.4 1,-0.1 -1,-0.3 -0.600 35.4-177.6 -88.7 142.8 15.6 7.1 19.3 90 90 A L - 0 0 3 -23,-1.7 52,-3.1 1,-0.4 53,-0.4 0.384 47.0-117.9-112.0 -3.6 16.5 10.5 20.6 91 91 A G - 0 0 21 -24,-0.2 2,-2.9 50,-0.2 -1,-0.4 -0.368 63.2 -28.3 91.1-177.6 18.7 11.5 17.7 92 92 A P S S+ 0 0 15 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.285 91.5 148.9 -72.1 61.9 22.5 12.3 17.8 93 93 A V >> - 0 0 5 -2,-2.9 4,-1.6 47,-0.1 3,-0.7 0.041 61.4 -41.5 -82.1-165.4 22.3 13.5 21.4 94 94 A Y H 3> S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.702 132.6 47.9 -22.2 -64.2 24.9 13.4 24.2 95 95 A G H 3> S+ 0 0 0 -29,-0.4 4,-2.6 1,-0.2 5,-0.3 0.939 112.4 47.7 -52.4 -55.6 26.3 9.9 23.7 96 96 A K H <> S+ 0 0 48 -3,-0.7 4,-2.2 -5,-0.2 -1,-0.2 0.828 114.4 46.4 -57.4 -37.3 26.8 10.3 19.9 97 97 A Q H < S+ 0 0 0 -4,-1.6 4,-0.5 2,-0.2 14,-0.4 0.848 112.8 50.4 -76.0 -33.4 28.5 13.6 20.2 98 98 A W H < S+ 0 0 2 -4,-2.4 13,-1.6 -5,-0.3 14,-1.1 0.931 125.0 26.0 -67.7 -46.4 30.8 12.4 23.0 99 99 A R H < S+ 0 0 56 -4,-2.6 -2,-0.2 11,-0.2 -3,-0.2 0.741 136.6 18.6 -93.4 -24.7 31.9 9.3 21.2 100 100 A A < + 0 0 27 -4,-2.2 10,-0.2 -5,-0.3 -1,-0.2 -0.407 61.6 177.2-151.5 69.6 31.5 10.2 17.5 101 101 A W E -G 109 0C 2 8,-2.2 8,-2.2 -4,-0.5 2,-0.4 -0.615 33.7-129.0 -72.2 118.8 31.3 13.8 16.6 102 102 A P E -G 108 0C 11 0, 0.0 6,-0.2 0, 0.0 299,-0.2 -0.572 19.2-152.4 -78.6 130.0 31.1 13.9 12.8 103 103 A T > - 0 0 6 4,-2.5 3,-1.1 -2,-0.4 299,-0.1 -0.484 28.1-109.7 -90.7 163.6 33.6 16.2 11.1 104 104 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 264,-0.1 0.627 113.9 57.6 -73.7 -8.3 32.9 17.8 7.7 105 105 A D T 3 S- 0 0 96 296,-0.2 3,-0.1 2,-0.1 265,-0.0 0.135 124.4 -90.9-106.1 23.3 35.5 15.6 5.9 106 106 A G S < S+ 0 0 55 -3,-1.1 2,-0.2 1,-0.3 264,-0.0 0.494 87.8 116.1 89.6 3.0 34.1 12.2 6.9 107 107 A R - 0 0 147 294,-0.1 -4,-2.5 2,-0.0 2,-0.4 -0.469 51.2-143.2 -98.6 172.8 35.8 11.5 10.2 108 108 A H E -G 102 0C 95 -6,-0.2 2,-0.5 -2,-0.2 -8,-0.1 -0.989 10.8-141.4-135.0 139.9 34.4 11.1 13.7 109 109 A I E -G 101 0C 47 -8,-2.2 -8,-2.2 -2,-0.4 2,-1.2 -0.922 2.8-149.5-108.6 126.7 36.0 12.3 16.8 110 110 A D > - 0 0 42 -2,-0.5 4,-1.8 -10,-0.2 -11,-0.2 -0.784 18.4-177.0 -91.5 96.8 35.9 10.3 20.1 111 111 A Q H > S+ 0 0 5 -13,-1.6 4,-1.9 -2,-1.2 -12,-0.2 0.747 74.7 58.3 -68.7 -24.6 36.0 13.2 22.5 112 112 A I H > S+ 0 0 0 -14,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.968 110.4 39.8 -71.3 -50.4 36.1 11.0 25.6 113 113 A T H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 113.2 58.2 -64.1 -36.1 39.2 9.1 24.7 114 114 A T H X S+ 0 0 59 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.933 107.9 45.4 -57.4 -47.3 40.7 12.3 23.4 115 115 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.901 110.6 54.0 -63.6 -43.1 40.2 13.8 26.8 116 116 A L H X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.942 109.8 47.1 -57.5 -48.6 41.6 10.7 28.5 117 117 A N H X S+ 0 0 84 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.827 110.9 52.9 -64.6 -30.7 44.8 10.9 26.4 118 118 A Q H X S+ 0 0 42 -4,-1.7 4,-2.3 -5,-0.2 7,-0.3 0.889 108.1 49.1 -71.6 -38.9 45.1 14.6 27.1 119 119 A L H < S+ 0 0 7 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.851 117.8 41.9 -69.1 -31.4 44.9 14.1 30.9 120 120 A K H < S+ 0 0 112 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 129.1 24.9 -80.5 -44.1 47.5 11.4 30.7 121 121 A N H < S+ 0 0 127 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.599 139.7 13.3 -98.4 -14.5 49.9 13.0 28.2 122 122 A D >< + 0 0 87 -4,-2.3 3,-2.2 -5,-0.3 -1,-0.2 -0.174 62.9 162.2-159.5 54.4 49.3 16.7 28.6 123 123 A P T 3 S+ 0 0 43 0, 0.0 31,-0.7 0, 0.0 -4,-0.1 0.675 74.2 64.4 -53.3 -21.7 47.2 17.5 31.7 124 124 A D T 3 S+ 0 0 42 -6,-0.1 162,-0.2 29,-0.1 -5,-0.1 0.362 75.6 122.3 -87.9 9.3 48.3 21.2 31.6 125 125 A S < - 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