==== 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 28-JUN-06 2HHC . COMPND 2 MOLECULE: NODULATION FUCOSYLTRANSFERASE NODZ; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM SP.; . AUTHOR K.BRZEZINSKI,T.STEPKOWSKI,S.PANJIKAR,G.BUJACZ,M.JASKOLSKI . 291 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 13.1 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 . 1 0.3 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 33.7 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 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 1 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 0 200 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.1 -17.0 64.7 -6.6 2 3 A K - 0 0 184 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.790 360.0 -94.8-119.6 153.7 -13.3 65.0 -5.9 3 4 A E - 0 0 110 -2,-0.3 2,-0.3 30,-0.1 30,-0.1 -0.453 38.5-160.5 -70.6 143.9 -10.6 62.4 -5.9 4 5 A R - 0 0 54 28,-0.3 30,-3.2 -2,-0.1 2,-0.3 -0.841 9.1-154.2-127.0 158.4 -9.7 60.8 -2.5 5 6 A F E -ab 34 124A 16 118,-2.5 120,-2.4 -2,-0.3 2,-0.4 -0.900 25.5-156.2-138.9 155.2 -6.5 58.9 -1.5 6 7 A V E -ab 35 125A 0 28,-2.5 30,-2.7 -2,-0.3 2,-0.6 -0.990 24.6-155.6-126.0 123.4 -4.7 56.4 0.6 7 8 A I E -ab 36 126A 15 118,-3.1 120,-3.0 -2,-0.4 2,-0.8 -0.901 1.0-155.8-102.7 123.8 -0.9 57.1 0.9 8 9 A S E -ab 37 127A 2 28,-3.4 30,-3.0 -2,-0.6 2,-0.5 -0.867 17.0-179.9 -98.7 106.0 1.3 54.1 1.7 9 10 A R E +a 38 0A 42 118,-2.9 2,-0.3 -2,-0.8 120,-0.3 -0.932 14.0 145.8-108.7 125.9 4.5 55.4 3.2 10 11 A R + 0 0 32 28,-1.0 32,-0.1 -2,-0.5 -2,-0.0 -0.959 20.1 175.9-162.0 142.9 7.2 52.8 4.3 11 12 A R + 0 0 73 -2,-0.3 32,-1.6 31,-0.1 3,-0.1 0.079 55.1 86.7-135.8 12.9 11.0 53.1 4.3 12 13 A T S S- 0 0 52 1,-0.3 31,-0.2 30,-0.1 32,-0.2 0.003 89.9 -29.9-103.6-151.3 12.1 49.8 5.9 13 14 A G > - 0 0 32 1,-0.1 4,-2.5 30,-0.1 3,-0.3 -0.251 63.3-111.3 -68.0 157.6 12.8 46.4 4.4 14 15 A F H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.813 113.1 61.1 -63.8 -30.2 10.9 45.4 1.4 15 16 A G H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 111.0 40.4 -59.1 -47.3 8.8 42.7 3.2 16 17 A D H > S+ 0 0 24 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.926 115.3 51.7 -64.3 -49.1 7.4 45.3 5.6 17 18 A C H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.931 113.8 43.1 -54.1 -48.7 6.9 47.8 2.8 18 19 A L H X S+ 0 0 1 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.842 115.3 47.4 -73.0 -32.6 5.1 45.3 0.6 19 20 A W H X S+ 0 0 6 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.933 114.1 48.4 -70.1 -46.2 2.9 43.9 3.4 20 21 A S H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.891 108.9 54.9 -60.9 -35.1 2.1 47.4 4.5 21 22 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.913 102.9 55.1 -61.1 -45.3 1.3 48.3 0.9 22 23 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.905 108.0 50.4 -56.5 -39.8 -1.2 45.4 0.7 23 24 A S H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.926 111.9 45.3 -64.4 -47.0 -3.0 46.9 3.8 24 25 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.916 112.7 52.7 -60.7 -44.4 -3.2 50.4 2.2 25 26 A W H X S+ 0 0 12 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.897 106.1 53.6 -57.4 -45.2 -4.4 48.8 -1.1 26 27 A S H X S+ 0 0 41 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.920 110.4 45.6 -63.6 -41.0 -7.2 46.9 0.6 27 28 A Y H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.918 111.7 52.6 -69.6 -38.8 -8.6 50.1 2.3 28 29 A A H X>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 4,-1.0 0.900 111.7 47.1 -59.9 -41.0 -8.3 52.0 -1.0 29 30 A Q H ><5S+ 0 0 111 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.950 112.2 48.6 -66.2 -45.0 -10.2 49.3 -2.8 30 31 A R H 3<5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 121.2 35.4 -64.8 -36.3 -12.9 49.1 -0.1 31 32 A T H 3<5S- 0 0 20 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.335 108.4-110.0-108.6 5.1 -13.5 52.9 -0.1 32 33 A G T <<5 + 0 0 66 -4,-1.0 -28,-0.3 -3,-0.6 2,-0.3 0.890 67.3 143.3 70.8 43.4 -13.0 54.0 -3.7 33 34 A R < - 0 0 4 -5,-2.2 2,-0.3 -6,-0.2 -28,-0.3 -0.810 53.8-111.4-112.9 159.2 -9.7 55.8 -3.2 34 35 A T E -a 5 0A 9 -30,-3.2 -28,-2.5 -2,-0.3 2,-0.4 -0.658 32.2-132.0 -84.5 137.1 -6.6 56.2 -5.3 35 36 A L E -ac 6 68A 0 32,-2.8 34,-2.5 -2,-0.3 2,-0.5 -0.772 17.0-164.7 -95.1 125.8 -3.5 54.5 -3.9 36 37 A V E -ac 7 69A 0 -30,-2.7 -28,-3.4 -2,-0.4 2,-0.8 -0.960 9.1-151.7-110.7 123.5 -0.3 56.4 -3.7 37 38 A I E -a 8 0A 0 32,-2.8 2,-0.7 -2,-0.5 -28,-0.2 -0.884 18.3-177.4 -96.6 108.8 3.0 54.4 -3.1 38 39 A D E +a 9 0A 3 -30,-3.0 -28,-1.0 -2,-0.8 32,-0.1 -0.852 18.9 158.0-117.9 88.3 5.3 56.8 -1.3 39 40 A W > + 0 0 2 -2,-0.7 3,-1.5 -30,-0.2 13,-0.8 0.005 22.6 144.2-102.0 28.5 8.7 55.3 -0.7 40 41 A R B 3 +E 51 0B 59 1,-0.2 11,-0.2 11,-0.2 9,-0.2 -0.469 68.7 27.1 -59.7 135.3 10.6 58.6 -0.3 41 42 A G T 3 S+ 0 0 35 9,-0.6 -1,-0.2 6,-0.5 -30,-0.1 0.547 84.3 170.7 82.1 13.5 13.3 58.2 2.3 42 43 A S X - 0 0 6 -3,-1.5 3,-1.4 8,-0.4 -1,-0.2 -0.134 45.1-120.7 -48.8 142.6 13.8 54.4 1.8 43 44 A C T 3 S+ 0 0 87 -32,-1.6 -1,-0.1 1,-0.2 -31,-0.1 0.680 113.2 53.6 -57.8 -18.4 16.7 52.9 3.5 44 45 A Y T 3 S+ 0 0 33 -32,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.548 96.6 70.5 -97.8 -9.3 18.0 51.9 0.1 45 46 A V < - 0 0 12 -3,-1.4 -1,-0.1 1,-0.1 -4,-0.1 -0.947 60.6-159.7-117.2 123.9 17.9 55.2 -1.6 46 47 A E S S+ 0 0 117 -2,-0.5 -1,-0.1 189,-0.1 189,-0.0 0.856 75.8 79.1 -67.1 -37.4 20.4 57.9 -0.7 47 48 A Q S > S- 0 0 93 1,-0.1 3,-1.3 2,-0.1 -6,-0.5 -0.602 74.1-150.6 -80.8 117.0 18.4 60.9 -2.1 48 49 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.673 88.5 43.7 -71.5 -16.5 15.7 61.6 0.5 49 50 A F T 3 S+ 0 0 148 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.1 0.433 86.3 105.4-107.1 2.8 13.0 63.0 -1.8 50 51 A S S < S- 0 0 50 -3,-1.3 2,-0.6 -11,-0.1 -9,-0.6 -0.671 75.7-123.3 -83.1 130.6 13.3 60.4 -4.6 51 52 A N B -E 40 0B 7 -2,-0.4 4,-0.2 -11,-0.2 -11,-0.2 -0.652 20.4-157.4 -75.3 116.9 10.4 57.9 -4.5 52 53 A A S >> S+ 0 0 0 -13,-0.8 3,-1.5 -2,-0.6 4,-0.7 0.667 73.3 86.3 -70.5 -19.8 12.2 54.6 -4.3 53 54 A F H >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-1.6 0.925 90.3 46.6 -52.3 -52.5 9.4 52.5 -5.7 54 55 A P H 34 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.616 99.8 69.5 -66.0 -11.5 10.4 53.0 -9.4 55 56 A A H <4 S+ 0 0 42 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.751 119.1 17.7 -72.3 -22.5 14.0 52.2 -8.6 56 57 A F H << S+ 0 0 0 -3,-1.6 94,-2.7 -4,-0.7 2,-0.3 0.654 124.7 46.0-119.9 -27.1 13.0 48.6 -8.0 57 58 A F B < S-F 149 0C 0 -4,-2.6 92,-0.2 92,-0.3 -1,-0.2 -0.872 80.9-105.0-122.7 156.2 9.7 48.0 -9.7 58 59 A E - 0 0 57 90,-3.2 90,-0.3 -2,-0.3 -3,-0.1 -0.332 54.1 -79.0 -72.7 153.5 8.1 48.9 -13.0 59 60 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.271 49.7-170.6 -52.0 137.6 5.6 51.7 -13.3 60 61 A V + 0 0 13 -3,-0.1 10,-0.2 1,-0.1 3,-0.1 -0.994 21.0 172.7-134.7 130.8 2.1 50.6 -12.2 61 62 A E S S+ 0 0 125 -2,-0.4 7,-2.1 1,-0.3 2,-0.3 0.463 73.7 27.7-111.7 -7.8 -1.1 52.7 -12.7 62 63 A D E -G 67 0D 85 5,-0.3 2,-0.5 84,-0.2 -1,-0.3 -0.951 54.1-167.4-153.7 134.3 -3.6 50.2 -11.5 63 64 A I E > S-G 66 0D 0 3,-2.4 3,-2.0 -2,-0.3 80,-0.1 -0.965 81.8 -36.4-124.3 107.4 -3.6 47.2 -9.1 64 65 A A T 3 S- 0 0 39 -2,-0.5 -1,-0.1 1,-0.3 79,-0.0 0.866 127.1 -37.6 48.6 46.1 -6.7 45.1 -9.4 65 66 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.307 113.2 112.6 94.5 -8.5 -9.0 48.0 -10.1 66 67 A V E < -G 63 0D 5 -3,-2.0 -3,-2.4 -32,-0.0 -1,-0.2 -0.852 68.9-124.9 -99.1 122.8 -7.5 50.5 -7.8 67 68 A P E -G 62 0D 62 0, 0.0 -32,-2.8 0, 0.0 2,-0.4 -0.375 31.0-155.8 -64.7 145.1 -5.8 53.5 -9.5 68 69 A V E -c 35 0A 6 -7,-2.1 2,-0.5 -34,-0.2 -32,-0.2 -0.982 22.7-166.4-132.2 135.9 -2.1 53.9 -8.4 69 70 A I E +c 36 0A 14 -34,-2.5 -32,-2.8 -2,-0.4 -8,-0.1 -0.990 24.0 158.8-112.8 118.2 0.4 56.8 -8.3 70 71 A C + 0 0 3 -2,-0.5 -31,-0.1 -10,-0.2 2,-0.1 0.232 45.2 59.5-127.8 17.0 3.8 55.3 -7.7 71 72 A D S > S- 0 0 47 -18,-0.1 3,-1.6 -17,-0.1 4,-0.1 -0.289 101.9 -51.8-136.6-157.8 6.4 57.8 -8.8 72 73 A D G > S+ 0 0 84 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.552 103.8 91.6 -72.3 -3.1 7.8 61.3 -8.5 73 74 A R G >> + 0 0 85 1,-0.3 4,-2.7 2,-0.2 3,-2.1 0.781 69.9 77.3 -57.9 -21.6 4.4 62.9 -8.8 74 75 A V G <4 S+ 0 0 7 -3,-1.6 -1,-0.3 1,-0.3 5,-0.2 0.779 92.7 52.0 -55.7 -25.4 4.3 62.6 -5.0 75 76 A N G <4 S+ 0 0 68 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.437 117.5 36.4 -89.8 -3.6 6.7 65.7 -5.1 76 77 A Q T <4 S+ 0 0 134 -3,-2.1 -2,-0.2 -4,-0.2 2,-0.1 0.706 99.5 79.5-112.8 -39.3 4.3 67.7 -7.3 77 78 A L < - 0 0 75 -4,-2.7 2,-0.7 1,-0.1 0, 0.0 -0.464 65.0-142.7 -79.1 144.9 0.7 66.8 -6.2 78 79 A S - 0 0 118 -2,-0.1 -1,-0.1 -3,-0.0 -3,-0.1 -0.900 19.4-146.0-105.5 99.7 -1.0 68.3 -3.2 79 80 A F - 0 0 32 -2,-0.7 2,-0.1 -5,-0.2 45,-0.1 -0.500 28.3-110.3 -73.6 131.5 -3.0 65.5 -1.6 80 81 A P - 0 0 46 0, 0.0 -75,-0.2 0, 0.0 -1,-0.1 -0.363 38.8-109.4 -74.8 140.6 -6.2 66.9 -0.1 81 82 A G S S+ 0 0 31 42,-0.2 2,-0.2 -2,-0.1 44,-0.1 -0.352 77.5 87.3 -84.2 177.6 -7.2 67.3 3.5 82 83 A P S S- 0 0 77 0, 0.0 41,-1.7 0, 0.0 42,-1.6 0.531 72.0-154.6 -67.5 164.0 -8.7 66.7 5.8 83 84 A F E -d 124 0A 51 39,-0.2 42,-0.2 -2,-0.2 6,-0.2 -0.680 4.3-122.8-109.8 155.0 -6.3 63.9 6.8 84 85 A F E S+d 125 0A 14 40,-1.7 42,-3.2 -2,-0.3 2,-0.2 -0.989 92.3 51.4-134.7 139.3 -6.5 60.8 8.9 85 86 A P S > S- 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.520 93.7-128.4 -60.9 162.1 -4.8 59.9 11.2 86 87 A R G > S+ 0 0 164 1,-0.3 3,-2.4 -2,-0.2 4,-0.3 0.777 100.7 75.1 -63.1 -26.6 -5.6 63.3 12.8 87 88 A W G > S+ 0 0 16 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.833 84.8 66.9 -50.8 -33.2 -1.9 64.1 13.5 88 89 A W G < S+ 0 0 60 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.518 89.0 64.5 -72.9 -7.3 -1.5 64.8 9.8 89 90 A N G < S+ 0 0 79 -3,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 0.512 81.5 106.4 -86.8 -8.6 -3.8 67.9 10.1 90 91 A R S < S- 0 0 124 -3,-1.9 5,-0.1 -4,-0.3 -3,-0.0 -0.353 86.0 -89.8 -67.3 151.5 -1.2 69.5 12.4 91 92 A P > - 0 0 80 0, 0.0 3,-1.1 0, 0.0 4,-0.4 -0.252 39.3-111.9 -56.8 149.3 0.9 72.4 11.1 92 93 A S G > S+ 0 0 106 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.851 117.2 58.3 -57.8 -35.5 4.2 71.2 9.6 93 94 A I G > S+ 0 0 132 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.845 105.8 51.8 -61.2 -30.8 6.3 72.8 12.3 94 95 A D G < S+ 0 0 92 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.520 102.4 60.7 -82.3 -4.1 4.4 70.6 14.8 95 96 A C G < S+ 0 0 30 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.423 75.5 89.4-105.2 0.9 5.1 67.5 12.7 96 97 A I S < S+ 0 0 137 -3,-0.7 2,-0.8 -4,-0.4 -1,-0.1 0.919 80.4 67.5 -59.5 -46.1 8.9 67.7 13.0 97 98 A N + 0 0 119 -4,-0.3 -1,-0.1 -3,-0.1 0, 0.0 -0.714 59.3 157.9 -79.7 110.1 8.6 65.5 16.2 98 99 A R - 0 0 50 -2,-0.8 -1,-0.1 4,-0.0 -3,-0.1 -0.588 17.2-180.0-133.9 73.0 7.4 62.1 15.1 99 100 A P >> - 0 0 46 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.205 43.6-103.3 -75.0 166.4 8.4 59.6 17.9 100 101 A D H 3> S+ 0 0 106 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.857 119.2 62.5 -60.1 -34.9 7.7 55.9 17.9 101 102 A E H 3> S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.872 106.6 45.5 -58.4 -38.1 4.8 56.4 20.4 102 103 A Q H <> S+ 0 0 18 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.885 111.2 51.0 -72.3 -41.8 3.0 58.5 17.8 103 104 A I H X S+ 0 0 30 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.932 112.0 48.4 -60.5 -43.1 3.8 56.0 14.9 104 105 A F H X S+ 0 0 98 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.896 108.1 54.1 -65.4 -39.5 2.4 53.2 17.1 105 106 A R H X S+ 0 0 96 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.911 108.7 50.0 -58.0 -42.9 -0.7 55.2 17.9 106 107 A E H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.912 104.9 55.7 -69.3 -37.9 -1.3 55.6 14.2 107 108 A R H X S+ 0 0 64 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.931 112.8 44.0 -50.8 -47.1 -0.9 51.9 13.5 108 109 A D H X S+ 0 0 80 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.892 112.4 50.8 -69.4 -39.6 -3.7 51.4 16.1 109 110 A E H X S+ 0 0 56 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.902 112.9 46.5 -63.8 -41.7 -5.8 54.2 14.8 110 111 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.894 109.3 54.9 -67.8 -38.1 -5.6 52.8 11.2 111 112 A T H X S+ 0 0 21 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.947 110.2 46.0 -60.7 -47.4 -6.3 49.3 12.4 112 113 A E H X S+ 0 0 142 -4,-2.3 4,-0.9 1,-0.2 3,-0.5 0.921 113.0 50.7 -61.5 -44.2 -9.5 50.5 14.1 113 114 A L H >< S+ 0 0 18 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.931 107.4 52.4 -61.0 -44.5 -10.4 52.5 10.9 114 115 A F H 3< S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.760 112.9 45.7 -65.4 -23.7 -9.8 49.5 8.7 115 116 A Q H 3< S+ 0 0 153 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.542 93.4 103.2 -92.2 -8.7 -12.2 47.4 10.9 116 117 A A S << S- 0 0 40 -3,-1.0 4,-0.1 -4,-0.9 -3,-0.0 -0.337 71.9-132.0 -79.1 154.0 -14.9 50.1 11.1 117 118 A R S S+ 0 0 205 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.898 86.2 63.3 -67.9 -41.8 -18.2 49.9 9.1 118 119 A E S S- 0 0 131 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.657 85.0-116.7 -96.7 138.2 -18.0 53.5 7.8 119 120 A D - 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