==== 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 24-JAN-06 2FTN . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.R.MONTFORT,S.A.ROBERTS . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.2 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 23 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 1 1 0 0 1 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 . 0 1 1 2 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 X > 0 0 11 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 151.1 16.1 32.5 44.0 2 2 A K H > + 0 0 136 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.868 360.0 45.1 -48.5 -50.8 13.2 32.9 41.5 3 3 A Q H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.852 113.0 51.4 -67.4 -34.4 10.5 33.4 44.1 4 4 A Y H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.912 111.5 45.3 -66.9 -47.7 12.6 35.7 46.2 5 5 A L H X S+ 0 0 21 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.882 110.3 55.6 -66.6 -34.8 13.4 38.0 43.2 6 6 A E H X S+ 0 0 101 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.906 108.3 49.0 -62.4 -37.7 9.7 37.9 42.2 7 7 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.943 109.6 50.9 -66.2 -45.6 8.8 39.1 45.6 8 8 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 111.5 47.9 -57.6 -45.8 11.3 41.9 45.4 9 9 A Q H X S+ 0 0 76 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.890 109.7 54.0 -64.4 -36.0 9.9 43.0 42.1 10 10 A K H X>S+ 0 0 73 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.916 107.9 48.4 -63.9 -45.0 6.4 42.9 43.4 11 11 A V H X5S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.921 113.5 48.8 -62.4 -40.9 7.2 45.2 46.3 12 12 A L H <5S+ 0 0 34 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.928 119.4 37.5 -58.9 -45.8 8.9 47.5 43.9 13 13 A D H <5S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.830 134.7 17.7 -77.6 -37.3 6.0 47.5 41.5 14 14 A E H <5S+ 0 0 116 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.511 90.4 118.1-120.5 -13.8 3.0 47.4 43.9 15 15 A G << - 0 0 17 -4,-1.9 2,-0.3 -5,-0.5 14,-0.2 -0.257 52.7-139.7 -61.8 146.5 4.4 48.5 47.3 16 16 A T E -A 28 0A 91 12,-2.4 12,-2.4 1,-0.0 2,-0.2 -0.805 30.6 -92.5-105.9 150.1 3.0 51.6 48.9 17 17 A Q E +A 27 0A 178 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.453 57.9 164.7 -62.4 125.2 5.1 54.2 50.8 18 18 A K E -A 26 0A 99 8,-2.8 8,-1.5 -2,-0.2 2,-0.2 -0.967 26.5-141.0-150.1 131.4 5.1 53.2 54.5 19 19 A N E -A 25 0A 112 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.584 13.3-136.6 -92.5 153.2 7.2 54.2 57.5 20 20 A D > - 0 0 46 4,-1.9 3,-1.5 -2,-0.2 -1,-0.1 -0.315 42.7 -81.1 -94.2-175.9 8.5 52.1 60.3 21 21 A R T 3 S+ 0 0 211 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.721 131.2 50.3 -63.5 -23.7 8.5 52.8 64.1 22 22 A T T 3 S- 0 0 70 2,-0.1 -1,-0.3 241,-0.0 3,-0.1 0.610 121.2-106.8 -84.3 -14.8 11.7 54.9 63.7 23 23 A G S < S+ 0 0 48 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.392 70.8 147.1 98.9 2.1 10.2 56.9 60.9 24 24 A T - 0 0 27 1,-0.1 -4,-1.9 -5,-0.1 -1,-0.3 -0.546 47.2-118.0 -75.1 132.6 12.3 55.2 58.2 25 25 A G E +A 19 0A 19 -2,-0.3 185,-2.5 -6,-0.2 186,-0.4 -0.283 36.5 168.5 -76.6 149.3 10.6 54.9 54.9 26 26 A T E -AB 18 209A 6 -8,-1.5 -8,-2.8 183,-0.3 2,-0.5 -0.936 37.5-120.8-141.6 165.5 9.7 51.7 53.1 27 27 A L E -AB 17 208A 35 181,-2.4 181,-2.5 -2,-0.3 2,-0.4 -0.980 46.0-170.4-100.8 131.9 7.7 50.3 50.2 28 28 A S E -AB 16 207A 10 -12,-2.4 -12,-2.4 -2,-0.5 2,-0.3 -0.957 24.7-177.6-133.0 140.1 5.3 47.8 51.7 29 29 A I E - B 0 206A 20 177,-2.6 177,-2.7 -2,-0.4 2,-0.5 -0.840 23.5-134.5-120.6 164.0 2.8 45.2 50.6 30 30 A F E S+ B 0 205A 164 -2,-0.3 175,-0.2 1,-0.2 174,-0.1 -0.969 70.1 15.9-124.8 119.9 0.6 43.1 52.9 31 31 A G E + 0 0 41 173,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.618 62.2 159.3 89.7 115.4 0.2 39.4 52.5 32 32 A H E - B 0 203A 39 171,-1.2 171,-2.5 -3,-0.1 2,-0.3 -0.966 16.7-161.7-157.2 156.0 2.5 37.2 50.3 33 33 A Q E + B 0 202A 107 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.993 7.1 179.4-144.6 142.7 3.4 33.5 50.2 34 34 A M E - B 0 201A 3 167,-2.3 167,-2.5 -2,-0.3 2,-0.4 -0.942 13.6-149.0-137.2 152.7 6.2 31.5 48.7 35 35 A R E - B 0 200A 125 -2,-0.3 2,-0.5 165,-0.2 165,-0.2 -0.997 6.1-167.8-130.4 130.7 6.9 27.7 48.6 36 36 A F E - B 0 199A 15 163,-2.6 163,-2.5 -2,-0.4 2,-0.9 -0.964 15.7-146.3-119.1 112.3 10.4 26.0 48.6 37 37 A N E > - B 0 198A 62 -2,-0.5 3,-1.9 161,-0.2 4,-0.4 -0.732 11.7-154.6 -76.5 110.7 10.5 22.3 47.8 38 38 A L G > S+ 0 0 6 159,-2.4 3,-0.6 -2,-0.9 -1,-0.2 0.664 89.3 64.7 -68.1 -17.7 13.4 21.4 50.0 39 39 A Q G 3 S+ 0 0 113 158,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.681 92.5 64.5 -75.6 -17.2 14.2 18.3 47.8 40 40 A D G < S- 0 0 115 -3,-1.9 2,-0.2 1,-0.3 187,-0.2 0.730 124.9 -70.6 -70.6 -22.3 15.1 20.8 45.0 41 41 A G < - 0 0 11 -3,-0.6 -1,-0.3 -4,-0.4 188,-0.2 -0.787 63.2 -57.7 143.5 166.7 18.0 22.2 47.0 42 42 A F - 0 0 2 186,-3.0 2,-2.2 -2,-0.2 137,-0.1 -0.674 54.1-126.0 -81.7 123.8 18.7 24.3 50.1 43 43 A P + 0 0 2 0, 0.0 2,-0.6 0, 0.0 139,-0.1 -0.399 53.5 146.1 -80.8 69.8 17.0 27.7 49.6 44 44 A L - 0 0 2 -2,-2.2 132,-0.1 134,-0.1 -2,-0.1 -0.918 57.3-107.6-103.5 120.0 19.9 30.0 50.2 45 45 A V - 0 0 0 -2,-0.6 5,-0.4 130,-0.2 -1,-0.0 -0.188 33.6-175.7 -49.0 133.6 19.7 33.1 48.1 46 46 A T + 0 0 0 179,-0.1 209,-2.9 3,-0.1 -1,-0.2 0.499 68.0 80.2-109.7 -16.2 22.4 33.0 45.4 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.547 110.3 20.1 -81.5 -4.2 22.0 36.5 43.8 48 48 A K S S- 0 0 11 207,-0.1 2,-0.3 209,-0.0 209,-0.3 -0.947 98.8 -98.3-146.0 153.9 24.0 37.8 46.7 49 49 A R - 0 0 114 206,-0.4 2,-0.5 -2,-0.3 209,-0.3 -0.519 40.4-165.7 -69.2 124.4 26.4 35.9 49.0 50 50 A C - 0 0 6 -5,-0.4 2,-0.4 -2,-0.3 -1,-0.0 -0.962 9.3-145.8-118.1 121.9 24.7 35.1 52.2 51 51 A H - 0 0 131 -2,-0.5 4,-0.2 1,-0.1 3,-0.1 -0.702 10.5-170.9 -87.1 133.8 26.7 33.9 55.2 52 52 A L > + 0 0 16 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 0.510 58.7 99.5-102.6 -2.2 25.0 31.4 57.5 53 53 A R H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.914 90.8 38.5 -48.7 -57.4 27.4 31.3 60.4 54 54 A S H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.851 114.8 56.1 -64.0 -35.1 25.3 33.7 62.7 55 55 A I H > S+ 0 0 8 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.914 107.6 46.9 -68.0 -39.3 22.1 32.0 61.5 56 56 A I H X S+ 0 0 17 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.961 114.3 46.8 -67.8 -49.8 23.2 28.5 62.5 57 57 A H H X S+ 0 0 10 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.913 111.5 53.2 -56.3 -40.9 24.4 29.7 65.9 58 58 A E H X S+ 0 0 25 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.902 108.6 48.6 -62.4 -42.7 21.1 31.7 66.4 59 59 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.930 111.4 48.4 -67.8 -40.7 19.0 28.6 65.6 60 60 A L H X S+ 0 0 19 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.894 112.4 51.5 -61.9 -39.2 20.9 26.4 68.1 61 61 A W H X S+ 0 0 9 -4,-2.4 4,-0.9 -5,-0.2 5,-0.4 0.907 108.7 49.3 -63.8 -45.8 20.5 29.2 70.6 62 62 A F H >< S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.929 110.9 50.6 -55.6 -49.6 16.7 29.4 70.0 63 63 A L H 3< S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.739 104.2 58.5 -65.9 -27.0 16.5 25.6 70.5 64 64 A Q H 3< S- 0 0 125 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.666 98.5-141.6 -74.4 -21.1 18.5 25.8 73.8 65 65 A G << + 0 0 17 -3,-1.0 2,-0.5 -4,-0.9 -3,-0.1 0.297 58.6 122.3 84.8 -12.7 15.9 28.2 75.3 66 66 A D - 0 0 101 -5,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.781 43.5-163.9 -86.7 123.6 18.1 30.6 77.2 67 67 A T + 0 0 18 -2,-0.5 23,-0.4 -3,-0.1 2,-0.3 0.314 55.4 107.1 -94.9 5.2 17.6 34.2 76.0 68 68 A N S > S- 0 0 35 21,-0.2 3,-0.6 1,-0.1 4,-0.3 -0.670 73.8-132.1 -72.5 141.4 20.7 35.7 77.5 69 69 A I T 3> S+ 0 0 6 19,-2.6 4,-2.7 -2,-0.3 3,-0.3 0.389 78.1 108.5 -78.2 6.4 23.2 36.4 74.7 70 70 A A H 3> S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 79.3 48.5 -50.4 -48.8 26.1 34.8 76.5 71 71 A Y H <> S+ 0 0 72 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.885 111.2 50.7 -61.0 -38.9 26.2 31.8 74.1 72 72 A L H >4>S+ 0 0 0 -3,-0.3 5,-2.4 -4,-0.3 3,-1.1 0.947 111.7 47.5 -64.0 -42.6 26.1 34.1 71.1 73 73 A H H ><5S+ 0 0 89 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.832 101.5 63.9 -69.4 -32.4 29.0 36.1 72.6 74 74 A E H 3<5S+ 0 0 160 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.760 114.0 35.7 -56.2 -26.8 31.0 32.9 73.3 75 75 A N T <<5S- 0 0 58 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.146 117.1-111.9-111.3 11.9 30.9 32.5 69.5 76 76 A N T < 5 + 0 0 117 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.906 62.8 152.6 48.1 49.6 31.2 36.2 68.5 77 77 A V < + 0 0 0 -5,-2.4 -1,-0.2 -8,-0.2 3,-0.2 -0.954 15.5 174.2-103.3 118.0 27.7 36.3 67.1 78 78 A T > + 0 0 67 -2,-0.6 3,-1.6 1,-0.1 4,-0.4 0.306 41.5 108.9-112.6 5.2 26.7 39.9 67.5 79 79 A I T 3 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.601 86.4 42.3 -67.7 -11.6 23.3 40.1 65.8 80 80 A W T >> S+ 0 0 16 -3,-0.2 3,-1.1 1,-0.1 4,-0.9 0.364 84.6 98.2-109.9 2.5 21.3 40.5 69.1 81 81 A D G X4 S+ 0 0 65 -3,-1.6 3,-0.7 1,-0.2 -2,-0.1 0.855 75.3 62.2 -58.3 -37.3 23.7 43.0 70.8 82 82 A E G 34 S+ 0 0 156 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.812 110.0 39.1 -58.3 -31.2 21.5 46.0 69.8 83 83 A W G <4 S+ 0 0 80 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.538 94.9 100.9-100.2 -13.8 18.5 44.7 71.8 84 84 A A << - 0 0 24 -4,-0.9 6,-0.2 -3,-0.7 -16,-0.1 -0.509 63.8-131.5 -83.3 145.7 20.3 43.3 74.9 85 85 A D > - 0 0 67 4,-2.3 3,-2.0 -2,-0.2 -1,-0.1 -0.120 44.1 -78.6 -79.8-179.6 20.6 45.0 78.3 86 86 A E T 3 S+ 0 0 161 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.803 132.8 47.5 -54.1 -32.2 23.8 45.5 80.3 87 87 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 -18,-0.0 -3,-0.0 0.389 122.5-103.3 -90.4 0.5 23.6 41.9 81.6 88 88 A G S < S+ 0 0 9 -3,-2.0 -19,-2.6 1,-0.3 2,-0.3 0.600 73.1 146.2 90.5 14.8 23.0 40.5 78.1 89 89 A D + 0 0 63 -21,-0.2 -4,-2.3 1,-0.1 -1,-0.3 -0.597 30.9 179.4 -93.1 146.0 19.3 39.9 78.7 90 90 A L - 0 0 5 -23,-0.4 52,-2.3 1,-0.4 53,-0.3 0.351 43.4-119.4-115.7 -6.2 16.6 40.2 76.0 91 91 A G - 0 0 25 50,-0.2 2,-2.2 1,-0.1 -1,-0.4 -0.362 65.5 -30.2 79.9-174.8 13.6 39.3 78.0 92 92 A P S S+ 0 0 8 0, 0.0 49,-0.2 0, 0.0 -1,-0.1 -0.293 87.4 151.8 -81.4 54.4 11.4 36.3 77.1 93 93 A V >> - 0 0 2 -2,-2.2 3,-2.3 47,-0.1 4,-0.9 -0.097 60.4 -44.1 -73.9 175.7 12.0 36.3 73.3 94 94 A F H >> S+ 0 0 9 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.505 131.5 45.6 -1.3 -80.7 11.9 33.3 70.9 95 95 A G H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.809 110.0 55.3 -55.2 -34.6 13.8 30.6 72.7 96 96 A K H <> S+ 0 0 58 -3,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.916 113.5 41.7 -66.8 -38.7 12.0 31.2 76.0 97 97 A Q H - 0 0 20 4,-2.2 3,-1.7 -2,-0.3 0, 0.0 -0.704 31.3-108.1-110.0 162.3 1.3 29.7 81.7 104 104 A P T 3 S+ 0 0 147 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.828 118.0 55.4 -57.0 -32.7 -1.1 31.3 84.2 105 105 A D T 3 S- 0 0 106 1,-0.0 0, 0.0 2,-0.0 0, 0.0 0.300 123.3-100.3 -89.0 11.1 -0.8 28.3 86.6 106 106 A G S < S+ 0 0 55 -3,-1.7 2,-0.1 1,-0.3 -1,-0.0 0.454 79.4 128.6 89.8 2.0 3.0 28.5 86.8 107 107 A R - 0 0 142 -5,-0.0 -4,-2.2 2,-0.0 2,-0.4 -0.377 49.1-141.5 -84.1 165.6 4.0 25.8 84.3 108 108 A H E -F 102 0B 117 -6,-0.2 2,-0.5 -2,-0.1 -7,-0.1 -0.994 16.6-144.1-131.0 121.9 6.4 26.2 81.4 109 109 A I E -F 101 0B 54 -8,-2.5 -8,-2.3 -2,-0.4 2,-1.2 -0.784 4.4-148.3-101.2 124.5 5.6 24.5 78.2 110 110 A D > + 0 0 37 -2,-0.5 4,-2.1 -10,-0.2 -11,-0.2 -0.718 18.3 178.8 -88.6 94.4 8.2 23.0 75.9 111 111 A Q H > S+ 0 0 27 -13,-1.2 4,-2.3 -2,-1.2 -12,-0.2 0.807 76.9 56.7 -69.4 -29.2 6.7 23.5 72.5 112 112 A I H > S+ 0 0 4 -14,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.947 109.1 44.4 -71.6 -48.7 9.6 21.9 70.6 113 113 A T H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 112.3 55.4 -55.8 -42.7 9.4 18.6 72.5 114 114 A T H X S+ 0 0 61 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.937 110.2 44.3 -54.1 -52.4 5.6 18.7 72.0 115 115 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 110.0 54.6 -61.4 -42.3 6.0 19.0 68.2 116 116 A L H X S+ 0 0 11 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.935 112.2 44.0 -61.4 -44.2 8.7 16.4 67.9 117 117 A N H X S+ 0 0 73 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.870 111.4 53.2 -73.8 -31.2 6.5 13.8 69.7 118 118 A Q H X S+ 0 0 25 -4,-2.2 4,-2.9 -5,-0.2 7,-0.2 0.911 109.5 50.1 -61.9 -43.5 3.3 14.9 67.7 119 119 A L H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.1 41.6 -62.8 -38.8 5.3 14.3 64.5 120 120 A K H < S+ 0 0 105 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.860 130.2 24.7 -76.2 -37.8 6.4 10.8 65.7 121 121 A N H < S+ 0 0 128 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.690 135.4 20.9-103.2 -25.4 3.1 9.7 67.2 122 122 A D >< + 0 0 88 -4,-2.9 3,-2.1 -5,-0.3 -1,-0.1 -0.446 63.3 161.5-145.9 59.0 0.3 11.7 65.5 123 123 A P T 3 S+ 0 0 45 0, 0.0 31,-0.7 0, 0.0 5,-0.1 0.697 72.2 63.8 -60.4 -20.5 1.7 12.9 62.2 124 124 A D T 3 S+ 0 0 141 29,-0.1 -5,-0.1 -6,-0.1 -6,-0.0 0.500 77.2 128.6 -76.3 -11.4 -1.8 13.5 60.7 125 125 A S < - 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