==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-FEB-06 2DDM . COMPND 2 MOLECULE: PYRIDOXINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.SAFO,F.N.MUSAYEV,M.L.DI SALVO,S.HUNT,J.B.CLAUDE, . 535 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 37 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 0 0 0 1 3 0 2 2 0 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 4 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 0 0 0 2 1 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 . 1 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 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 10 A K 0 0 236 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.9 21.5 -13.9 60.0 2 11 A S - 0 0 38 1,-0.1 4,-0.1 73,-0.0 73,-0.1 -0.359 360.0-157.7 -66.1 145.6 20.2 -13.3 56.5 3 12 A R + 0 0 100 528,-0.1 529,-2.5 2,-0.1 530,-0.4 0.410 62.3 107.0-101.4 -2.8 22.6 -11.7 54.1 4 13 A A S S- 0 0 16 71,-0.2 2,-0.1 527,-0.2 71,-0.1 -0.336 82.3 -97.1 -76.0 155.9 19.7 -10.6 51.9 5 14 A L - 0 0 33 -2,-0.1 2,-0.3 69,-0.1 -1,-0.1 -0.439 44.5-153.7 -69.7 146.6 18.6 -7.0 51.6 6 15 A Q - 0 0 37 -2,-0.1 2,-0.3 71,-0.1 71,-0.1 -0.790 10.7-165.6-121.8 167.2 15.6 -6.2 53.9 7 16 A A - 0 0 1 69,-0.5 30,-0.2 -2,-0.3 72,-0.2 -0.997 27.6-147.3-151.8 151.2 12.7 -3.7 53.9 8 17 A D S S+ 0 0 26 28,-1.4 73,-2.4 -2,-0.3 74,-1.6 0.787 90.9 35.5 -85.0 -29.1 10.1 -2.3 56.2 9 18 A I E -ab 37 82A 0 27,-2.0 29,-2.4 72,-0.2 2,-0.6 -0.951 54.5-160.2-134.8 145.7 7.7 -1.9 53.2 10 19 A V E -ab 38 83A 0 72,-1.6 74,-2.0 -2,-0.3 2,-0.6 -0.987 23.5-161.6-116.8 113.6 6.7 -3.6 50.0 11 20 A A E -ab 39 84A 0 27,-2.4 29,-2.9 -2,-0.6 2,-0.7 -0.900 3.8-166.7-103.3 119.9 5.0 -1.0 47.8 12 21 A V E +ab 40 85A 0 72,-3.1 74,-2.6 -2,-0.6 2,-0.3 -0.891 40.5 88.2-111.3 108.0 2.9 -2.3 45.0 13 22 A Q E S-a 41 0A 10 27,-1.4 29,-1.3 -2,-0.7 30,-0.4 -0.934 71.4 -34.0-171.3-169.3 1.8 0.2 42.4 14 23 A S E - 0 0 9 -2,-0.3 9,-2.7 27,-0.2 10,-0.4 -0.077 42.1-156.3 -65.3 163.0 2.7 2.0 39.1 15 24 A Q E -a 44 0A 25 28,-1.4 30,-2.4 7,-0.2 2,-0.4 -0.997 4.0-164.1-142.1 135.3 6.1 3.0 37.9 16 25 A V E -a 45 0A 9 5,-0.4 30,-0.2 -2,-0.4 3,-0.1 -0.970 20.9-151.1-124.2 139.5 7.0 5.8 35.5 17 26 A V S S+ 0 0 15 28,-2.1 2,-0.5 -2,-0.4 296,-0.4 0.933 98.7 29.4 -66.3 -47.7 10.2 6.3 33.6 18 27 A Y S S+ 0 0 2 28,-2.6 -1,-0.3 27,-0.2 30,-0.3 -0.961 110.8 31.5-115.3 128.7 9.4 10.0 33.6 19 28 A G S S- 0 0 11 -2,-0.5 -3,-0.2 -3,-0.1 2,-0.2 -0.600 77.7 -87.9 123.0 176.0 7.3 11.6 36.4 20 29 A S S S+ 0 0 11 -2,-0.2 2,-0.3 194,-0.1 240,-0.2 -0.535 73.0 109.9-131.0 67.6 6.4 11.4 40.0 21 30 A V S > S- 0 0 8 -2,-0.2 3,-1.6 197,-0.1 -5,-0.4 -0.892 70.8 -2.1-133.9 163.3 3.5 8.9 40.5 22 31 A G T >> S- 0 0 0 -2,-0.3 4,-2.5 1,-0.3 3,-1.4 -0.230 132.0 -13.5 56.1-140.4 3.3 5.5 42.1 23 32 A N H 3> S+ 0 0 5 -9,-2.7 4,-1.9 1,-0.3 -1,-0.3 0.689 126.8 75.2 -66.4 -19.1 6.5 4.1 43.3 24 33 A S H <4 S+ 0 0 34 -3,-1.6 -1,-0.3 -10,-0.4 -2,-0.2 0.785 115.2 21.4 -64.8 -25.8 8.5 6.8 41.5 25 34 A I H <> S+ 0 0 4 -3,-1.4 4,-1.4 -4,-0.3 -2,-0.2 0.722 122.7 56.7-108.9 -34.1 7.4 9.2 44.2 26 35 A A H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.903 101.7 55.4 -67.0 -42.1 6.5 6.8 47.0 27 36 A V H X S+ 0 0 26 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.953 111.2 41.7 -58.7 -53.1 9.9 5.1 47.2 28 37 A P H > S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.850 114.6 53.1 -65.1 -29.2 12.0 8.3 47.7 29 38 A A H X S+ 0 0 0 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.924 111.7 45.5 -68.7 -43.0 9.4 9.6 50.1 30 39 A I H ><>S+ 0 0 1 -4,-2.9 5,-1.6 1,-0.2 3,-0.8 0.900 110.4 53.7 -65.2 -41.4 9.6 6.4 52.1 31 40 A K H ><5S+ 0 0 105 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.889 102.0 60.6 -59.9 -37.7 13.5 6.6 51.9 32 41 A Q H 3<5S+ 0 0 61 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.799 98.8 56.3 -59.2 -31.4 13.2 10.1 53.3 33 42 A N T <<5S- 0 0 9 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.376 123.0-106.1 -84.1 5.9 11.5 8.8 56.4 34 43 A G T < 5S+ 0 0 65 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.718 79.4 126.9 78.8 22.5 14.5 6.5 57.0 35 44 A L < - 0 0 11 -5,-1.6 2,-0.3 -28,-0.0 -1,-0.3 -0.742 54.4-127.4-112.2 159.8 12.7 3.3 55.9 36 45 A N + 0 0 89 -2,-0.3 -27,-2.0 -3,-0.1 -28,-1.4 -0.774 28.3 179.2-103.9 151.0 13.5 0.6 53.4 37 46 A V E -a 9 0A 16 -2,-0.3 2,-0.5 -30,-0.2 -27,-0.2 -0.998 25.8-147.3-154.5 145.3 11.2 -0.5 50.7 38 47 A F E -a 10 0A 14 -29,-2.4 -27,-2.4 -2,-0.3 2,-0.5 -0.960 25.6-145.5-110.3 128.9 11.0 -2.9 47.8 39 48 A A E -a 11 0A 23 -2,-0.5 -27,-0.2 252,-0.4 -29,-0.0 -0.864 11.1-166.8-101.8 128.8 8.9 -1.6 44.9 40 49 A V E -a 12 0A 0 -29,-2.9 -27,-1.4 -2,-0.5 2,-0.2 -0.953 18.1-138.8-116.3 112.3 6.8 -4.0 42.9 41 50 A P E -a 13 0A 0 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.441 22.4-178.8 -71.9 137.5 5.5 -2.4 39.6 42 51 A T E S+ 0 0 0 -29,-1.3 17,-2.1 1,-0.5 2,-0.3 0.661 81.4 11.3-104.2 -27.2 1.9 -3.1 38.4 43 52 A V E - C 0 58A 7 -30,-0.4 -28,-1.4 15,-0.3 2,-0.5 -0.978 65.3-149.5-146.4 149.4 2.3 -1.0 35.3 44 53 A L E +aC 15 57A 0 13,-2.9 13,-1.0 -2,-0.3 2,-0.2 -0.848 28.6 170.8-127.6 95.5 5.4 0.5 33.7 45 54 A L E -aC 16 56A 18 -30,-2.4 -28,-2.1 -2,-0.5 -27,-0.2 -0.684 42.9-132.1-105.3 157.4 4.6 3.7 31.8 46 55 A S S S- 0 0 0 9,-2.6 -28,-2.6 1,-0.3 2,-0.3 0.854 91.0 -30.2 -71.0 -34.7 6.8 6.4 30.2 47 56 A N S S- 0 0 0 8,-0.4 -1,-0.3 -30,-0.2 -28,-0.1 -0.945 90.7 -57.4-168.7 172.5 4.6 8.9 32.1 48 57 A T > - 0 0 9 -2,-0.3 3,-1.3 -30,-0.3 5,-0.1 -0.246 50.4-115.6 -61.4 154.8 1.1 9.3 33.3 49 58 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.580 103.7 84.6 -67.6 -9.5 -1.7 8.9 30.6 50 59 A H T 3 S+ 0 0 123 2,-0.0 4,-0.1 3,-0.0 -2,-0.0 0.736 74.3 83.4 -67.9 -24.4 -2.6 12.6 31.3 51 60 A Y S < S- 0 0 58 -3,-1.3 297,-0.1 2,-0.2 -4,-0.0 -0.190 102.3 -95.1 -73.9 172.4 0.1 13.9 28.9 52 61 A D S S+ 0 0 161 295,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.799 109.4 16.1 -56.5 -31.0 -0.3 14.2 25.1 53 62 A T + 0 0 37 -5,-0.1 2,-0.3 291,-0.1 -2,-0.2 -0.981 63.5 176.6-145.0 154.6 1.3 10.8 24.8 54 63 A F - 0 0 99 -2,-0.3 2,-0.3 -4,-0.1 -6,-0.1 -0.976 7.1-166.1-157.6 147.0 2.2 7.8 27.0 55 64 A Y + 0 0 42 -2,-0.3 -9,-2.6 -8,-0.1 -8,-0.4 -0.945 42.0 56.6-136.2 156.8 3.8 4.4 26.4 56 65 A G E -C 45 0A 22 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.656 52.3-146.0 117.3-175.7 4.1 1.2 28.3 57 66 A G E -C 44 0A 16 -13,-1.0 -13,-2.9 -2,-0.2 2,-0.2 -0.921 33.5 -36.1-167.2-166.5 1.7 -1.2 29.9 58 67 A A E -C 43 0A 41 -2,-0.3 -15,-0.3 -15,-0.3 -16,-0.1 -0.470 59.0-110.0 -74.4 139.0 0.7 -3.7 32.6 59 68 A I - 0 0 2 -17,-2.1 31,-0.1 -2,-0.2 -1,-0.1 -0.538 45.7-101.9 -68.7 127.4 3.3 -6.0 34.1 60 69 A P >> - 0 0 53 0, 0.0 4,-3.5 0, 0.0 3,-0.5 -0.216 24.8-120.2 -53.2 136.1 2.5 -9.6 32.9 61 70 A D H 3> S+ 0 0 65 1,-0.3 4,-3.8 2,-0.2 5,-0.3 0.872 114.8 51.6 -42.6 -48.8 0.9 -11.8 35.5 62 71 A E H 3> S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.903 114.1 42.6 -59.9 -43.3 3.8 -14.2 35.4 63 72 A W H <> S+ 0 0 38 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.959 116.8 48.0 -66.3 -50.3 6.3 -11.4 35.9 64 73 A F H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.925 113.3 46.6 -55.5 -50.8 4.2 -9.8 38.6 65 74 A S H X S+ 0 0 28 -4,-3.8 4,-2.2 -5,-0.3 -1,-0.2 0.873 112.6 52.8 -60.3 -36.8 3.6 -13.1 40.4 66 75 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.895 103.8 54.7 -66.6 -41.2 7.3 -13.7 40.1 67 76 A Y H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.904 112.0 44.0 -59.4 -44.3 8.4 -10.4 41.6 68 77 A L H >X S+ 0 0 1 -4,-1.8 4,-0.8 1,-0.2 3,-0.7 0.953 114.7 47.9 -66.6 -49.3 6.3 -11.1 44.7 69 78 A R H >X S+ 0 0 85 -4,-2.2 4,-2.6 1,-0.2 3,-0.9 0.857 105.3 60.6 -59.7 -36.3 7.4 -14.7 45.1 70 79 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.850 95.0 61.5 -61.5 -35.5 11.1 -13.7 44.6 71 80 A L H <<>S+ 0 0 0 -4,-1.1 5,-2.2 -3,-0.7 6,-0.3 0.820 111.4 41.0 -62.0 -28.3 10.9 -11.5 47.7 72 81 A Q H X<5S+ 0 0 80 -3,-0.9 3,-2.2 -4,-0.8 -2,-0.2 0.938 113.8 49.5 -81.4 -53.1 10.2 -14.7 49.6 73 82 A E H 3<5S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.747 111.3 51.7 -58.8 -25.3 12.6 -16.9 47.8 74 83 A R T 3<5S- 0 0 20 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.484 108.3-129.9 -88.7 -5.9 15.3 -14.3 48.4 75 84 A D T < 5 + 0 0 62 -3,-2.2 3,-0.4 -5,-0.2 -71,-0.2 0.894 61.5 140.9 57.2 43.8 14.4 -14.2 52.1 76 85 A A < + 0 0 0 -5,-2.2 -69,-0.5 -6,-0.2 3,-0.2 0.177 47.3 77.5-101.5 17.7 14.2 -10.4 52.0 77 86 A L > + 0 0 11 -6,-0.3 3,-1.0 -5,-0.2 -1,-0.2 0.143 49.7 111.9-114.1 20.4 11.1 -10.1 54.3 78 87 A R T 3 S+ 0 0 126 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.809 91.1 37.1 -61.2 -28.3 12.7 -10.6 57.7 79 88 A Q T 3 S+ 0 0 110 -3,-0.2 -1,-0.2 -72,-0.2 -2,-0.1 0.356 83.8 139.7-105.5 4.5 11.9 -7.0 58.5 80 89 A L < + 0 0 12 -3,-1.0 -72,-0.2 1,-0.2 -71,-0.2 -0.251 9.1 154.5 -56.4 127.4 8.6 -6.6 56.7 81 90 A R + 0 0 105 -73,-2.4 31,-1.9 1,-0.3 2,-0.3 0.463 61.8 20.0-128.0 -14.7 6.1 -4.6 58.6 82 91 A A E -bd 9 112A 0 -74,-1.6 -72,-1.6 29,-0.2 2,-0.4 -0.997 46.7-160.0-160.1 153.3 3.8 -3.3 55.9 83 92 A V E -bd 10 113A 0 29,-2.0 31,-2.6 -2,-0.3 2,-0.4 -0.988 17.3-164.8-134.2 122.0 2.5 -3.7 52.3 84 93 A T E -bd 11 114A 10 -74,-2.0 -72,-3.1 -2,-0.4 2,-0.4 -0.875 2.8-158.3-109.7 142.4 0.9 -0.8 50.5 85 94 A T E +bd 12 115A 5 29,-2.1 31,-2.7 -2,-0.4 -72,-0.2 -0.958 21.0 153.5-120.9 138.7 -1.1 -1.1 47.4 86 95 A G + 0 0 0 -74,-2.6 32,-0.1 -2,-0.4 2,-0.1 -0.195 54.8 6.9-130.5-136.3 -1.8 1.6 44.8 87 96 A Y - 0 0 63 -2,-0.1 2,-0.3 30,-0.1 -1,-0.3 -0.334 69.3-160.4 -56.8 121.7 -2.6 1.8 41.1 88 97 A M - 0 0 1 30,-0.3 41,-0.4 1,-0.1 3,-0.1 -0.813 16.5-149.2-107.5 148.4 -3.2 -1.7 39.9 89 98 A G S S+ 0 0 8 -2,-0.3 2,-0.3 1,-0.2 40,-0.2 0.937 72.8 2.3 -81.4 -48.5 -3.0 -2.8 36.3 90 99 A T > - 0 0 23 1,-0.1 4,-1.6 -31,-0.1 3,-0.4 -0.930 62.6-115.7-140.1 163.5 -5.4 -5.7 36.2 91 100 A A H > S+ 0 0 20 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.884 116.3 60.9 -62.4 -37.0 -7.9 -7.7 38.3 92 101 A S H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 101.4 51.7 -60.7 -34.1 -5.6 -10.7 37.8 93 102 A Q H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.917 108.7 51.8 -67.6 -40.9 -2.7 -8.8 39.5 94 103 A I H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.905 110.1 47.5 -61.7 -43.2 -5.0 -8.0 42.5 95 104 A K H X S+ 0 0 81 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.922 114.9 46.5 -64.3 -43.9 -6.0 -11.7 42.9 96 105 A I H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.908 113.6 49.0 -63.1 -43.0 -2.4 -12.7 42.7 97 106 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.930 110.1 51.3 -62.5 -45.3 -1.4 -10.0 45.1 98 107 A A H X S+ 0 0 3 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.922 110.2 49.3 -57.8 -46.5 -4.2 -11.0 47.5 99 108 A E H X S+ 0 0 100 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.917 111.0 49.4 -59.9 -44.4 -3.0 -14.6 47.4 100 109 A W H X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.937 113.1 48.0 -60.4 -45.0 0.6 -13.5 48.1 101 110 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.886 107.7 53.4 -64.0 -41.0 -0.7 -11.4 51.0 102 111 A T H X S+ 0 0 48 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.892 110.1 50.2 -61.6 -36.8 -2.8 -14.2 52.5 103 112 A A H >< S+ 0 0 40 -4,-2.0 3,-0.8 -5,-0.2 4,-0.3 0.891 108.1 52.8 -67.6 -40.6 0.3 -16.4 52.4 104 113 A L H >X S+ 0 0 4 -4,-2.0 3,-3.1 1,-0.2 4,-2.0 0.928 94.8 66.8 -62.1 -49.0 2.4 -13.7 54.2 105 114 A R H 3< S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 91.1 65.8 -44.9 -29.7 0.1 -13.2 57.2 106 115 A K T << S+ 0 0 144 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.765 117.0 25.3 -67.3 -24.9 0.9 -16.8 58.3 107 116 A D T <4 S+ 0 0 130 -3,-3.1 -2,-0.2 -4,-0.3 -1,-0.2 0.532 128.4 46.6-112.4 -14.7 4.5 -15.7 58.9 108 117 A H >< + 0 0 38 -4,-2.0 3,-2.4 1,-0.1 -1,-0.2 -0.612 62.7 169.1-128.6 69.7 3.9 -12.0 59.5 109 118 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.749 80.5 49.0 -53.4 -27.6 0.9 -12.0 61.9 110 119 A D T 3 S+ 0 0 145 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.279 78.3 142.8 -98.2 10.7 1.4 -8.2 62.5 111 120 A L < - 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