==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUN-11 3SIW . COMPND 2 MOLECULE: NODULATION FUCOSYLTRANSFERASE NODZ; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM SP.; . AUTHOR K.BRZEZINSKI,Z.DAUTER,M.JASKOLSKI . 290 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.5 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 . 0 0.0 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 . 23 7.9 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 . 96 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 1 0 0 0 2 0 0 0 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 2 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 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 2 A T 0 0 196 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 -17.1 64.6 -6.1 2 3 A K - 0 0 180 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.750 360.0 -93.5-115.0 159.5 -13.4 64.7 -5.7 3 4 A E - 0 0 108 -2,-0.3 2,-0.3 30,-0.1 30,-0.1 -0.482 39.9-159.5 -71.3 140.1 -10.6 62.1 -5.8 4 5 A R - 0 0 55 28,-0.3 30,-3.0 -2,-0.2 2,-0.3 -0.882 8.8-155.8-123.1 159.4 -9.7 60.6 -2.5 5 6 A F E -ab 34 124A 15 118,-2.4 120,-2.1 -2,-0.3 2,-0.4 -0.865 24.0-154.5-138.2 155.9 -6.6 58.8 -1.5 6 7 A V E -ab 35 125A 0 28,-2.4 30,-2.7 -2,-0.3 2,-0.6 -0.988 23.8-155.5-126.0 124.8 -4.7 56.3 0.7 7 8 A I E -ab 36 126A 14 118,-3.4 120,-3.4 -2,-0.4 2,-0.7 -0.897 1.6-157.5-106.0 123.0 -1.0 56.9 0.9 8 9 A S E -ab 37 127A 2 28,-3.2 30,-2.7 -2,-0.6 2,-0.5 -0.900 16.7-179.4 -98.2 106.5 1.2 53.9 1.8 9 10 A R E +a 38 0A 45 118,-3.3 2,-0.3 -2,-0.7 120,-0.3 -0.950 13.6 148.0-110.1 128.0 4.5 55.3 3.3 10 11 A R + 0 0 28 28,-1.1 32,-0.1 -2,-0.5 -2,-0.0 -0.950 20.4 175.2-163.0 138.7 7.2 52.8 4.4 11 12 A R + 0 0 71 -2,-0.3 32,-1.7 31,-0.1 3,-0.1 0.136 55.2 88.0-133.8 16.2 10.9 53.1 4.4 12 13 A T S S- 0 0 52 1,-0.3 31,-0.2 30,-0.1 32,-0.2 0.055 89.2 -32.4-102.3-152.6 12.1 49.9 6.0 13 14 A G > - 0 0 30 1,-0.1 4,-2.5 30,-0.1 3,-0.4 -0.296 62.1-110.9 -68.0 157.1 12.9 46.4 4.6 14 15 A F H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.788 113.5 60.9 -61.2 -32.4 10.9 45.3 1.6 15 16 A G H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.952 112.3 40.3 -58.7 -49.6 9.0 42.5 3.5 16 17 A D H > S+ 0 0 25 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.950 115.3 51.4 -61.6 -52.2 7.5 45.2 5.7 17 18 A C H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.903 113.9 42.9 -52.4 -47.2 7.0 47.7 2.9 18 19 A L H X S+ 0 0 1 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.850 116.0 46.9 -75.6 -36.6 5.2 45.2 0.7 19 20 A W H X S+ 0 0 6 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.942 113.9 48.1 -67.1 -49.8 3.0 43.7 3.5 20 21 A S H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.885 108.8 56.2 -56.2 -39.8 2.1 47.3 4.7 21 22 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.910 102.8 54.3 -58.0 -44.4 1.3 48.1 1.0 22 23 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.885 107.3 51.1 -60.0 -40.9 -1.2 45.2 0.8 23 24 A S H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.923 112.1 45.4 -61.2 -45.1 -3.0 46.6 3.8 24 25 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.917 112.7 51.7 -61.3 -46.3 -3.2 50.1 2.3 25 26 A W H X S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.919 107.1 53.7 -55.0 -48.9 -4.3 48.6 -1.1 26 27 A S H X S+ 0 0 40 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.892 110.7 44.8 -60.5 -41.5 -7.1 46.7 0.6 27 28 A Y H X S+ 0 0 4 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.919 113.0 51.2 -65.8 -45.8 -8.5 49.8 2.3 28 29 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.0 0.919 112.2 48.0 -54.5 -45.1 -8.2 51.8 -1.0 29 30 A Q H <5S+ 0 0 102 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.919 111.9 48.6 -63.3 -45.9 -10.1 49.0 -2.7 30 31 A R H <5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 120.6 35.7 -60.1 -38.7 -12.8 48.8 -0.1 31 32 A T H <5S- 0 0 18 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.377 108.2-110.6-108.9 4.2 -13.5 52.5 -0.1 32 33 A G T <5 + 0 0 64 -4,-1.0 -28,-0.3 -3,-0.5 2,-0.3 0.901 67.4 144.3 70.9 39.6 -13.0 53.6 -3.7 33 34 A R < - 0 0 4 -5,-2.2 2,-0.3 -6,-0.2 -28,-0.3 -0.779 53.8-111.3-108.6 157.7 -9.8 55.5 -3.1 34 35 A T E -a 5 0A 8 -30,-3.0 -28,-2.4 -2,-0.3 2,-0.4 -0.691 32.6-132.9 -80.7 135.7 -6.6 56.0 -5.2 35 36 A L E -ac 6 68A 0 32,-2.6 34,-2.7 -2,-0.3 2,-0.5 -0.805 15.8-162.9 -95.8 131.6 -3.5 54.3 -3.7 36 37 A V E -ac 7 69A 0 -30,-2.7 -28,-3.2 -2,-0.4 2,-0.8 -0.957 7.4-153.0-114.7 122.2 -0.3 56.3 -3.5 37 38 A I E -a 8 0A 0 32,-2.9 2,-0.7 -2,-0.5 -28,-0.2 -0.860 19.1-179.9 -99.3 108.9 2.9 54.3 -3.1 38 39 A D E +a 9 0A 4 -30,-2.7 -28,-1.1 -2,-0.8 32,-0.1 -0.865 18.6 156.7-119.7 96.0 5.3 56.7 -1.3 39 40 A W > + 0 0 2 -2,-0.7 3,-1.2 -30,-0.2 13,-1.0 -0.098 22.8 143.4-111.4 31.9 8.7 55.2 -0.6 40 41 A R B 3 +E 51 0B 57 1,-0.2 11,-0.2 11,-0.2 9,-0.1 -0.521 68.1 31.4 -63.0 138.7 10.5 58.5 -0.4 41 42 A G T 3 S+ 0 0 37 9,-0.6 -1,-0.2 6,-0.5 -30,-0.1 0.552 85.1 168.9 86.5 8.9 13.2 58.2 2.4 42 43 A S X - 0 0 7 -3,-1.2 3,-1.3 8,-0.4 -1,-0.2 -0.186 45.3-124.6 -47.7 142.9 13.7 54.5 1.8 43 44 A C T 3 S+ 0 0 84 -32,-1.7 -1,-0.1 1,-0.2 -31,-0.1 0.641 110.5 54.7 -62.9 -18.7 16.7 52.9 3.5 44 45 A Y T 3 S+ 0 0 38 -32,-0.2 2,-0.5 195,-0.1 196,-0.3 0.481 97.6 68.9 -94.2 -3.1 17.9 51.6 0.1 45 46 A V < - 0 0 14 -3,-1.3 7,-0.1 1,-0.1 189,-0.1 -0.971 63.2-155.9-120.4 127.5 17.9 55.0 -1.7 46 47 A E S S+ 0 0 137 -2,-0.5 -1,-0.1 187,-0.1 188,-0.0 0.870 76.4 79.7 -70.6 -34.3 20.5 57.8 -0.9 47 48 A Q S > S- 0 0 98 1,-0.1 3,-0.6 2,-0.0 -6,-0.5 -0.548 72.5-150.0 -78.7 125.5 18.3 60.7 -2.2 48 49 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.731 90.4 42.3 -75.4 -16.8 15.8 61.6 0.5 49 50 A F T 3 S+ 0 0 148 -9,-0.1 2,-0.4 -8,-0.1 -9,-0.1 0.401 86.8 106.9-107.6 3.3 13.0 62.9 -1.9 50 51 A S S < S- 0 0 47 -3,-0.6 2,-0.7 -11,-0.1 -9,-0.6 -0.662 75.3-123.2 -79.7 127.9 13.2 60.2 -4.6 51 52 A N B -E 40 0B 6 -2,-0.4 4,-0.3 -11,-0.2 -11,-0.2 -0.659 20.5-157.2 -68.9 116.3 10.4 57.7 -4.6 52 53 A A S >> S+ 0 0 0 -13,-1.0 3,-1.2 -2,-0.7 4,-0.9 0.683 73.8 85.8 -72.0 -19.0 12.2 54.4 -4.2 53 54 A F H >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-1.4 0.919 90.8 44.2 -52.1 -54.3 9.3 52.3 -5.7 54 55 A P H 34 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.572 100.9 68.9 -67.5 -14.6 10.4 52.7 -9.4 55 56 A A H <4 S+ 0 0 41 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.782 120.7 18.5 -71.1 -25.8 14.1 52.1 -8.6 56 57 A F H << S+ 0 0 0 -3,-1.4 94,-2.5 -4,-0.9 2,-0.3 0.699 125.4 45.2-114.4 -27.6 13.0 48.4 -7.9 57 58 A F B < S-F 149 0C 0 -4,-2.6 92,-0.3 92,-0.3 -1,-0.2 -0.869 81.7-105.0-121.5 154.0 9.6 47.8 -9.5 58 59 A E - 0 0 59 90,-3.2 90,-0.3 -2,-0.3 -3,-0.1 -0.348 53.6 -82.7 -70.7 152.2 8.1 48.6 -12.9 59 60 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.295 48.7-171.1 -52.6 138.3 5.5 51.5 -13.2 60 61 A V + 0 0 18 -3,-0.1 10,-0.3 1,-0.1 3,-0.1 -0.994 20.4 177.2-135.8 132.6 2.0 50.4 -12.2 61 62 A E S S+ 0 0 154 -2,-0.4 7,-2.1 1,-0.3 2,-0.3 0.429 75.2 27.5-109.2 -6.7 -1.1 52.6 -12.7 62 63 A D E -G 67 0D 86 5,-0.3 2,-0.5 84,-0.2 -1,-0.3 -0.965 55.8-165.1-155.3 134.0 -3.6 50.1 -11.4 63 64 A I E > S-G 66 0D 1 3,-2.3 3,-2.2 -2,-0.3 80,-0.1 -0.956 82.3 -34.4-124.9 112.8 -3.6 47.2 -9.0 64 65 A A T 3 S- 0 0 39 -2,-0.5 -1,-0.0 1,-0.3 79,-0.0 0.868 127.9 -39.9 43.6 51.4 -6.6 44.9 -9.4 65 66 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.299 113.3 116.3 86.4 -8.7 -8.9 47.8 -10.2 66 67 A V E < -G 63 0D 6 -3,-2.2 -3,-2.3 -32,-0.0 -1,-0.2 -0.825 68.1-125.1 -92.3 124.0 -7.4 50.3 -7.7 67 68 A P E -G 62 0D 63 0, 0.0 -32,-2.6 0, 0.0 2,-0.4 -0.422 31.7-157.3 -66.5 143.9 -5.8 53.3 -9.4 68 69 A V E -c 35 0A 6 -7,-2.1 2,-0.5 -34,-0.2 -32,-0.2 -0.979 23.5-167.0-129.2 137.8 -2.2 53.8 -8.3 69 70 A I E +c 36 0A 14 -34,-2.7 -32,-2.9 -2,-0.4 -8,-0.1 -0.978 25.7 154.7-114.5 116.9 0.3 56.6 -8.2 70 71 A C + 0 0 3 -2,-0.5 2,-0.1 -10,-0.3 -31,-0.1 0.180 44.6 65.3-129.9 19.9 3.8 55.2 -7.5 71 72 A D S > S- 0 0 49 -18,-0.1 3,-1.6 -17,-0.1 4,-0.1 -0.309 102.4 -55.2-129.7-155.9 6.4 57.6 -8.9 72 73 A D G > S+ 0 0 82 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.612 106.1 91.4 -76.2 -5.2 7.8 61.1 -8.5 73 74 A R G >> + 0 0 78 1,-0.3 4,-2.5 2,-0.2 3,-1.8 0.763 68.8 78.6 -55.0 -20.6 4.4 62.7 -8.9 74 75 A V G <4 S+ 0 0 6 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.773 92.9 50.6 -59.3 -22.1 4.3 62.4 -5.1 75 76 A N G <4 S+ 0 0 67 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.543 115.0 40.7 -90.3 -9.1 6.5 65.5 -5.2 76 77 A Q T <4 S+ 0 0 139 -3,-1.8 2,-0.2 -4,-0.3 -2,-0.2 0.714 99.7 79.9-107.9 -30.5 4.2 67.4 -7.5 77 78 A L < - 0 0 73 -4,-2.5 2,-0.7 1,-0.0 0, 0.0 -0.565 64.1-145.4 -90.5 142.7 0.7 66.6 -6.1 78 79 A S - 0 0 122 -2,-0.2 -3,-0.1 -3,-0.0 -4,-0.0 -0.896 21.2-144.2-101.8 106.4 -1.0 68.1 -3.1 79 80 A F - 0 0 34 -2,-0.7 2,-0.2 -5,-0.1 45,-0.1 -0.530 28.2-109.6 -78.1 131.4 -3.1 65.3 -1.6 80 81 A P - 0 0 44 0, 0.0 -75,-0.2 0, 0.0 -1,-0.1 -0.414 40.5-108.8 -76.2 141.1 -6.3 66.8 -0.2 81 82 A G S S+ 0 0 32 42,-0.2 2,-0.2 -2,-0.2 44,-0.1 -0.256 78.5 84.2 -84.4 175.8 -7.2 67.2 3.4 82 83 A P S S- 0 0 75 0, 0.0 42,-1.6 0, 0.0 41,-1.3 0.643 72.4-156.5 -66.9 162.2 -8.7 66.6 5.9 83 84 A F E -d 124 0A 56 39,-0.2 42,-0.2 40,-0.2 6,-0.2 -0.740 5.6-118.8-110.4 156.8 -6.3 63.8 6.7 84 85 A F E S+d 125 0A 48 40,-1.9 42,-3.2 -2,-0.3 2,-0.2 -0.992 94.1 49.8-134.9 140.0 -6.5 60.7 8.8 85 86 A P S > S- 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.528 93.1-130.4 -61.0 155.2 -4.9 59.9 11.3 86 87 A R G > S+ 0 0 199 1,-0.3 3,-2.3 -2,-0.2 4,-0.3 0.756 99.0 76.8 -63.0 -22.6 -5.7 63.3 12.7 87 88 A W G > S+ 0 0 12 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.850 85.9 67.1 -49.0 -37.3 -2.0 64.0 13.6 88 89 A W G < S+ 0 0 60 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.593 87.8 64.4 -66.1 -10.0 -1.6 64.7 9.8 89 90 A N G < S+ 0 0 79 -3,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 0.516 81.7 107.3 -86.0 -8.2 -3.8 67.8 10.0 90 91 A R S < S- 0 0 124 -3,-2.0 5,-0.1 -4,-0.3 -3,-0.0 -0.361 85.9 -89.9 -67.8 151.1 -1.3 69.5 12.3 91 92 A P >> - 0 0 82 0, 0.0 3,-1.0 0, 0.0 4,-0.8 -0.239 39.7-113.2 -52.3 146.8 0.9 72.4 11.0 92 93 A S G >4 S+ 0 0 104 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.845 116.3 60.7 -56.7 -36.4 4.1 71.1 9.4 93 94 A I G >4 S+ 0 0 128 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.878 105.8 49.9 -60.3 -32.9 6.3 72.8 12.2 94 95 A D G <4 S+ 0 0 86 -3,-1.0 3,-0.4 1,-0.2 -1,-0.3 0.675 102.4 61.6 -77.2 -18.1 4.4 70.5 14.6 95 96 A C G << S+ 0 0 30 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.403 75.9 89.9 -90.2 2.3 5.0 67.4 12.6 96 97 A I S < S+ 0 0 137 -3,-0.8 2,-0.7 -4,-0.4 -1,-0.2 0.926 80.3 64.8 -63.2 -44.3 8.8 67.6 12.9 97 98 A N + 0 0 117 -3,-0.4 -1,-0.1 -4,-0.3 0, 0.0 -0.716 60.0 157.9 -83.0 111.0 8.6 65.5 16.1 98 99 A R - 0 0 46 -2,-0.7 -1,-0.1 4,-0.0 -3,-0.1 -0.583 18.3-178.3-134.8 74.6 7.3 62.0 15.1 99 100 A P >> - 0 0 47 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.150 42.6-100.9 -73.4 169.4 8.4 59.6 17.8 100 101 A D H 3> S+ 0 0 108 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.871 120.8 60.8 -58.8 -37.9 7.8 55.9 17.9 101 102 A E H 3> S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.862 105.5 46.7 -61.5 -36.8 4.9 56.3 20.2 102 103 A Q H <> S+ 0 0 19 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.910 111.9 50.8 -67.3 -42.8 3.0 58.5 17.7 103 104 A I H X S+ 0 0 29 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 111.4 47.9 -61.0 -46.1 3.8 56.0 15.0 104 105 A F H X S+ 0 0 99 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.885 109.0 53.9 -60.9 -39.8 2.4 53.1 17.2 105 106 A R H X S+ 0 0 101 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.914 108.6 50.2 -59.3 -42.3 -0.7 55.2 18.0 106 107 A E H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.878 104.7 56.9 -69.5 -34.3 -1.3 55.6 14.3 107 108 A R H X S+ 0 0 68 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.944 111.7 43.8 -53.7 -48.4 -0.9 51.8 13.7 108 109 A D H X S+ 0 0 84 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.903 112.5 50.8 -64.9 -41.4 -3.7 51.4 16.2 109 110 A E H X S+ 0 0 51 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.883 112.4 46.8 -66.1 -39.4 -5.9 54.2 14.8 110 111 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.874 109.7 54.3 -69.5 -34.6 -5.6 52.7 11.3 111 112 A T H X S+ 0 0 23 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.927 109.4 47.7 -65.8 -45.6 -6.3 49.3 12.6 112 113 A E H >X S+ 0 0 140 -4,-2.4 4,-1.2 2,-0.2 3,-0.5 0.937 112.4 49.6 -59.9 -45.9 -9.5 50.6 14.1 113 114 A L H >< S+ 0 0 17 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.933 107.9 53.4 -58.9 -48.0 -10.4 52.4 10.9 114 115 A F H 3< S+ 0 0 37 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 112.0 45.4 -59.6 -26.6 -9.8 49.3 8.8 115 116 A Q H << S+ 0 0 158 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.630 93.3 101.9 -91.0 -17.5 -12.2 47.3 11.1 116 117 A A S << S- 0 0 42 -4,-1.2 -3,-0.0 -3,-0.9 -4,-0.0 -0.273 71.5-133.2 -70.1 154.6 -15.0 49.9 11.2 117 118 A R S S+ 0 0 213 2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.920 87.2 64.4 -72.2 -41.2 -18.2 49.7 9.1 118 119 A E S S- 0 0 135 1,-0.1 -2,-0.1 -3,-0.0 3,-0.1 -0.658 84.0-121.5 -93.1 135.2 -18.0 53.3 7.8 119 120 A D - 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