==== 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 25-JUL-02 1M8K . COMPND 2 MOLECULE: NICOTINAMIDE-NUCLEOTIDE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR V.SARIDAKIS,E.F.PAI . 507 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 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 . 1 0.2 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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 2 1 9 4 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 0 2 4 0 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 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 3 A T 0 0 127 0, 0.0 2,-0.4 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 120.1 32.7 71.2 -73.0 2 4 A M - 0 0 58 25,-0.1 27,-2.2 94,-0.1 28,-1.7 -0.720 360.0-173.7 -91.2 125.6 34.6 67.9 -73.6 3 5 A R E -a 30 0A 55 -2,-0.4 94,-3.3 26,-0.2 95,-1.9 -0.959 5.4-159.8-121.5 136.9 34.9 65.1 -71.0 4 6 A G E -ab 31 98A 0 26,-3.0 28,-2.8 -2,-0.4 2,-0.4 -0.715 7.7-140.8-110.2 162.0 37.0 62.0 -71.3 5 7 A L E -ab 32 99A 0 93,-2.5 95,-3.3 -2,-0.3 2,-0.3 -0.977 15.4-178.4-127.4 140.2 36.8 58.7 -69.4 6 8 A L E -ab 33 100A 22 26,-2.7 28,-3.4 -2,-0.4 2,-0.4 -0.976 5.7-165.3-133.8 144.5 39.6 56.5 -68.1 7 9 A V E +a 34 0A 37 93,-0.5 2,-0.3 -2,-0.3 28,-0.2 -0.976 21.0 143.0-139.0 125.3 39.3 53.1 -66.3 8 10 A G E -a 35 0A 25 26,-2.6 28,-3.3 -2,-0.4 -2,-0.0 -0.972 51.3-123.0-153.1 161.7 42.0 51.3 -64.4 9 11 A R - 0 0 74 -2,-0.3 4,-0.1 26,-0.3 -1,-0.1 0.805 34.3-155.5 -77.3 -31.0 42.4 49.1 -61.3 10 12 A M - 0 0 21 1,-0.2 3,-0.4 2,-0.1 47,-0.1 0.944 12.9-172.8 54.3 55.4 45.0 51.5 -59.8 11 13 A Q S S- 0 0 7 1,-0.5 123,-0.2 34,-0.1 -1,-0.2 -0.643 87.5 -11.4-113.7 75.8 46.6 48.7 -57.7 12 14 A P S S- 0 0 1 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.588 94.3-111.2 -93.4-167.6 48.2 51.0 -56.5 13 15 A F - 0 0 1 -3,-0.4 2,-0.3 -2,-0.1 138,-0.1 -0.747 48.0-172.2 -83.2 122.2 48.1 54.4 -58.3 14 16 A H > - 0 0 10 -2,-0.6 4,-2.2 133,-0.1 3,-0.2 -0.769 39.7-102.6-119.9 164.1 51.5 54.9 -59.8 15 17 A R H > S+ 0 0 107 131,-2.2 4,-2.4 -2,-0.3 5,-0.2 0.781 118.2 60.1 -49.3 -34.3 53.6 57.6 -61.6 16 18 A G H > S+ 0 0 1 112,-0.5 4,-1.7 130,-0.4 3,-0.3 0.988 107.8 42.9 -59.7 -57.7 53.0 55.8 -64.9 17 19 A A H > S+ 0 0 13 -3,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 113.3 53.9 -52.8 -44.6 49.2 56.1 -64.6 18 20 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.879 106.0 51.2 -59.8 -41.9 49.6 59.7 -63.4 19 21 A Q H X S+ 0 0 106 -4,-2.4 4,-1.2 -3,-0.3 -1,-0.2 0.841 111.0 49.7 -65.6 -33.2 51.7 60.7 -66.4 20 22 A V H X S+ 0 0 12 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.913 109.1 51.8 -70.8 -43.4 49.0 59.2 -68.7 21 23 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.911 109.6 47.8 -60.0 -45.7 46.3 61.2 -66.8 22 24 A K H < S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.1 56.5 -63.7 -32.1 48.2 64.5 -67.3 23 25 A S H >< S+ 0 0 11 -4,-1.2 3,-1.7 -5,-0.2 -2,-0.2 0.954 107.9 44.3 -62.9 -52.9 48.6 63.5 -70.9 24 26 A I H >X S+ 0 0 0 -4,-2.5 3,-2.6 1,-0.3 4,-1.8 0.867 101.5 70.3 -62.1 -34.1 44.8 63.1 -71.4 25 27 A L T 3< S+ 0 0 13 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.519 92.0 59.8 -64.1 -0.6 44.3 66.3 -69.6 26 28 A E T <4 S+ 0 0 167 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.472 110.2 39.7-102.8 -4.7 45.8 68.1 -72.5 27 29 A E T <4 S+ 0 0 95 -3,-2.6 2,-0.2 -4,-0.2 -2,-0.2 0.660 116.6 42.9-112.6 -28.6 43.2 66.8 -75.0 28 30 A V < - 0 0 5 -4,-1.8 -25,-0.2 1,-0.1 3,-0.1 -0.734 69.4-132.0-117.8 168.2 40.0 67.0 -72.9 29 31 A D S S+ 0 0 84 -27,-2.2 2,-0.4 1,-0.3 -26,-0.2 0.895 92.6 13.5 -84.0 -45.6 38.5 69.5 -70.5 30 32 A E E -a 3 0A 35 -28,-1.7 -26,-3.0 2,-0.0 2,-0.5 -0.985 67.6-150.2-134.0 144.5 37.6 67.1 -67.8 31 33 A L E -ac 4 71A 0 39,-3.1 41,-1.9 -2,-0.4 2,-0.8 -0.957 4.7-152.0-118.9 131.0 38.7 63.5 -67.1 32 34 A I E -ac 5 72A 0 -28,-2.8 -26,-2.7 -2,-0.5 2,-0.7 -0.885 15.4-158.0 -99.7 109.2 36.6 61.0 -65.3 33 35 A I E -ac 6 73A 0 39,-3.5 41,-2.4 -2,-0.8 2,-0.6 -0.816 5.8-160.7 -94.1 113.7 39.0 58.5 -63.7 34 36 A C E -ac 7 74A 0 -28,-3.4 -26,-2.6 -2,-0.7 2,-1.1 -0.845 11.9-147.9-100.8 114.9 37.3 55.1 -62.9 35 37 A I E -ac 8 75A 0 39,-2.0 41,-2.5 -2,-0.6 3,-0.4 -0.672 29.3-153.4 -78.1 101.7 38.9 52.8 -60.4 36 38 A G E + c 0 76A 5 -28,-3.3 41,-0.1 -2,-1.1 42,-0.1 -0.275 67.3 26.8 -75.8 165.8 37.9 49.5 -61.9 37 39 A S > + 0 0 16 39,-0.5 3,-1.3 1,-0.1 40,-0.2 0.913 68.5 170.9 48.1 50.1 37.4 46.2 -60.1 38 40 A A T 3 + 0 0 6 38,-1.4 12,-0.7 -3,-0.4 39,-0.2 0.498 67.1 64.6 -68.8 -2.2 36.5 48.1 -56.9 39 41 A Q T 3 S+ 0 0 15 37,-0.2 383,-0.5 10,-0.1 2,-0.4 0.687 82.1 89.4 -94.9 -18.5 35.5 44.9 -55.3 40 42 A L < + 0 0 54 -3,-1.3 2,-0.3 381,-0.1 381,-0.1 -0.652 48.8 140.1 -85.8 131.1 38.9 43.2 -55.3 41 43 A S + 0 0 4 -2,-0.4 7,-0.2 1,-0.1 381,-0.2 -0.951 46.2 40.0-156.0 167.7 41.2 43.8 -52.3 42 44 A H S S+ 0 0 11 5,-1.7 2,-0.3 -2,-0.3 -1,-0.1 0.897 84.5 107.4 52.9 51.5 43.6 41.8 -50.2 43 45 A S S S- 0 0 39 3,-0.5 -1,-0.2 1,-0.1 125,-0.1 -0.977 80.9-111.6-149.2 155.4 45.3 39.7 -52.9 44 46 A I S S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.933 120.7 43.0 -55.8 -42.4 48.7 39.8 -54.5 45 47 A R S S+ 0 0 132 1,-0.3 -1,-0.2 -4,-0.1 -34,-0.1 0.836 133.3 17.5 -72.6 -35.8 47.0 41.0 -57.8 46 48 A D S S+ 0 0 7 1,-0.1 -3,-0.5 -5,-0.1 -1,-0.3 -0.746 71.3 160.5-137.9 86.6 44.6 43.5 -56.2 47 49 A P + 0 0 0 0, 0.0 -5,-1.7 0, 0.0 2,-0.3 0.744 51.2 72.2 -83.4 -21.4 45.8 44.4 -52.6 48 50 A F S S- 0 0 1 -7,-0.2 -8,-0.0 -6,-0.1 112,-0.0 -0.752 73.3-125.9-104.3 144.1 43.9 47.6 -52.0 49 51 A T > - 0 0 26 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.252 33.7-104.3 -73.8 166.2 40.2 48.3 -51.4 50 52 A A H > S+ 0 0 21 -12,-0.7 4,-2.2 1,-0.2 5,-0.2 0.874 121.5 56.7 -57.5 -38.1 38.2 50.9 -53.4 51 53 A G H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.959 106.7 43.7 -58.4 -58.6 38.5 53.2 -50.4 52 54 A E H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 115.4 51.6 -55.9 -41.5 42.3 53.3 -50.2 53 55 A R H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.843 106.6 51.0 -66.9 -35.8 42.5 53.6 -54.0 54 56 A V H X S+ 0 0 41 -4,-2.2 4,-1.8 -3,-0.2 -1,-0.2 0.937 112.9 50.7 -65.4 -39.5 40.1 56.6 -54.1 55 57 A M H X S+ 0 0 64 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.923 110.7 44.4 -61.2 -51.8 42.3 58.0 -51.4 56 58 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.957 116.5 47.9 -57.7 -52.2 45.7 57.5 -53.2 57 59 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.779 112.9 49.4 -60.4 -29.9 44.1 58.8 -56.4 58 60 A T H X S+ 0 0 53 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.939 114.9 41.1 -76.0 -48.8 42.6 61.8 -54.6 59 61 A K H X S+ 0 0 103 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.795 114.1 53.6 -69.1 -32.4 45.8 62.9 -52.7 60 62 A A H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.836 110.9 45.5 -73.9 -32.8 48.0 62.3 -55.8 61 63 A L H <>S+ 0 0 0 -4,-1.0 5,-1.5 -5,-0.2 -2,-0.2 0.831 114.4 45.7 -80.5 -32.2 45.9 64.5 -58.0 62 64 A S H ><5S+ 0 0 71 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.617 109.4 59.8 -83.1 -10.6 45.6 67.4 -55.6 63 65 A E H 3<5S+ 0 0 93 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.715 101.1 53.2 -85.4 -24.7 49.3 67.0 -54.9 64 66 A N T 3<5S- 0 0 44 -4,-0.7 -1,-0.2 -3,-0.1 -2,-0.1 0.061 117.2-107.7 -99.9 24.8 50.2 67.7 -58.6 65 67 A G T < 5 + 0 0 65 -3,-0.5 -3,-0.2 1,-0.2 -2,-0.1 0.654 65.4 153.8 62.3 16.5 48.3 70.9 -58.8 66 68 A I < - 0 0 16 -5,-1.5 -1,-0.2 1,-0.1 -2,-0.1 -0.711 48.7-119.0 -83.1 111.0 45.6 69.4 -61.0 67 69 A P > - 0 0 70 0, 0.0 3,-3.4 0, 0.0 4,-0.3 -0.218 9.5-132.0 -51.3 122.9 42.4 71.4 -60.3 68 70 A A G > S+ 0 0 74 1,-0.3 3,-1.0 2,-0.2 -2,-0.0 0.706 105.6 70.3 -48.9 -23.7 39.5 69.4 -58.9 69 71 A S G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -39,-0.0 3,-0.0 0.561 93.8 57.1 -73.1 -8.3 37.3 71.1 -61.6 70 72 A R G < S+ 0 0 66 -3,-3.4 -39,-3.1 -40,-0.1 2,-0.3 0.502 108.1 37.6-102.3 -4.2 39.2 69.0 -64.1 71 73 A Y E < -c 31 0A 27 -3,-1.0 2,-0.4 -4,-0.3 -39,-0.2 -0.967 50.1-154.7-150.5 164.3 38.5 65.5 -62.8 72 74 A Y E -c 32 0A 69 -41,-1.9 -39,-3.5 -2,-0.3 2,-0.6 -0.997 12.4-154.9-135.6 136.0 36.2 63.0 -61.2 73 75 A I E +c 33 0A 31 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.952 22.9 172.8-115.4 111.2 37.3 59.9 -59.2 74 76 A I E -c 34 0A 26 -41,-2.4 -39,-2.0 -2,-0.6 2,-0.2 -0.969 27.1-137.3-127.1 129.4 34.7 57.1 -59.2 75 77 A P E -c 35 0A 54 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.556 20.7-168.7 -77.7 144.1 34.9 53.6 -57.9 76 78 A V E -c 36 0A 0 -41,-2.5 -38,-1.4 -2,-0.2 -39,-0.5 -0.861 9.6-150.9-139.5 106.0 33.4 51.0 -60.2 77 79 A Q - 0 0 91 -2,-0.4 2,-0.1 -40,-0.2 -41,-0.0 -0.428 30.7-107.7 -70.9 147.7 32.8 47.4 -59.0 78 80 A D - 0 0 52 -2,-0.1 2,-0.3 -42,-0.1 -1,-0.1 -0.445 34.5-151.9 -73.4 152.7 32.9 44.8 -61.7 79 81 A I - 0 0 52 -2,-0.1 6,-0.1 2,-0.1 5,-0.1 -0.942 23.6-115.9-128.9 150.6 29.6 43.2 -62.8 80 82 A E S S+ 0 0 126 -2,-0.3 2,-0.7 1,-0.1 3,-0.1 0.751 96.8 69.1 -53.0 -31.5 28.7 39.8 -64.2 81 83 A C >> - 0 0 18 1,-0.2 3,-1.7 129,-0.1 4,-0.7 -0.840 53.6-171.9-104.2 114.8 27.5 41.2 -67.5 82 84 A N H >> S+ 0 0 46 -2,-0.7 3,-0.9 127,-0.4 4,-0.6 0.868 92.8 62.8 -61.8 -36.3 29.9 42.8 -70.0 83 85 A A H 34 S+ 0 0 52 126,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.484 110.1 38.1 -68.3 -4.0 26.7 43.9 -71.9 84 86 A L H <> S+ 0 0 107 -3,-1.7 4,-1.5 -5,-0.1 -1,-0.2 0.414 90.1 91.8-124.6 -2.7 25.7 46.0 -68.9 85 87 A W H S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.846 111.2 53.7 -60.7 -30.2 25.4 51.3 -68.6 88 90 A H H X S+ 0 0 43 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.912 110.2 44.0 -68.6 -45.4 26.9 50.6 -65.2 89 91 A I H >X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.9 0.905 111.5 55.6 -65.6 -42.9 29.7 53.1 -65.7 90 92 A K H 3< S+ 0 0 89 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.850 103.1 53.4 -59.4 -38.1 27.3 55.7 -67.1 91 93 A M H 3< S+ 0 0 145 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.733 114.4 43.3 -71.3 -19.4 25.1 55.6 -64.1 92 94 A L H << S+ 0 0 60 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.485 110.1 60.2-104.6 -4.9 28.1 56.3 -61.8 93 95 A T S < S- 0 0 19 -4,-0.9 3,-0.1 -3,-0.4 -88,-0.0 -0.699 83.7-102.2-122.1 168.8 29.8 59.0 -63.8 94 96 A P - 0 0 32 0, 0.0 -2,-0.1 0, 0.0 -62,-0.1 -0.520 66.0 -70.5 -82.3 162.3 29.1 62.5 -65.2 95 97 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.314 63.9-171.1 -55.3 127.1 28.2 62.7 -68.9 96 98 A F - 0 0 11 1,-0.1 -92,-0.2 -3,-0.1 3,-0.1 -0.855 25.2-164.6-124.4 160.1 31.4 61.9 -71.0 97 99 A D S S+ 0 0 74 -94,-3.3 19,-1.2 -2,-0.3 2,-0.4 0.795 70.5 36.9-110.0 -41.0 32.4 62.1 -74.6 98 100 A R E -bd 4 116A 32 -95,-1.9 -93,-2.5 17,-0.1 2,-0.5 -0.954 60.4-151.1-123.2 140.4 35.6 60.1 -75.2 99 101 A V E -bd 5 117A 0 17,-2.9 19,-2.4 -2,-0.4 2,-0.5 -0.935 9.9-154.7-110.2 120.2 36.8 56.9 -73.7 100 102 A Y E +bd 6 118A 2 -95,-3.3 -93,-0.5 -2,-0.5 2,-0.2 -0.817 38.3 124.6 -94.2 128.8 40.6 56.4 -73.4 101 103 A S - 0 0 18 17,-2.8 -2,-0.1 -2,-0.5 -95,-0.0 -0.782 47.4-156.4 178.8 137.3 41.6 52.7 -73.3 102 104 A G + 0 0 55 -2,-0.2 17,-0.1 17,-0.1 -1,-0.0 0.131 65.4 109.9-105.9 19.4 43.9 50.3 -75.1 103 105 A N > - 0 0 74 1,-0.1 4,-3.0 2,-0.0 5,-0.2 -0.857 65.0-141.3-100.8 124.2 41.9 47.3 -74.0 104 106 A P H > S+ 0 0 33 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.841 99.8 44.7 -47.5 -47.4 39.9 45.4 -76.7 105 107 A L H > S+ 0 0 49 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.970 114.5 46.3 -66.1 -55.4 36.9 44.6 -74.5 106 108 A V H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.909 116.9 47.0 -54.6 -41.2 36.6 48.1 -72.9 107 109 A Q H X S+ 0 0 38 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.971 115.0 44.8 -65.3 -50.9 37.0 49.6 -76.4 108 110 A R H X S+ 0 0 13 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.852 112.4 51.5 -61.2 -38.5 34.5 47.2 -77.9 109 111 A L H < S+ 0 0 12 -4,-3.5 4,-0.5 2,-0.2 -1,-0.2 0.915 118.6 36.2 -66.3 -44.2 31.9 47.6 -75.1 110 112 A F H <>S+ 0 0 0 -4,-2.0 5,-1.9 -5,-0.3 3,-0.4 0.847 115.9 55.6 -76.3 -35.8 32.0 51.4 -75.3 111 113 A S H ><5S+ 0 0 54 -4,-3.1 3,-1.8 -5,-0.3 -2,-0.2 0.948 106.5 50.3 -60.1 -48.5 32.4 51.4 -79.0 112 114 A E T 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.684 106.8 57.3 -63.8 -18.6 29.2 49.3 -79.4 113 115 A D T 3 5S- 0 0 80 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.393 123.4 -99.1 -95.2 2.7 27.4 51.7 -77.2 114 116 A G T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.343 76.9 134.5 100.9 -9.0 28.1 54.7 -79.4 115 117 A Y < - 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