==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-OCT-10 3PB3 . COMPND 2 MOLECULE: 16S RRNA METHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SIVARAMAN,N.HUSAIN . 400 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 11.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 4 0 0 2 10 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 0 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 . 2 0 2 0 0 2 2 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 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 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 L 0 0 104 0, 0.0 82,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.9 -4.1 10.4 34.9 2 3 A I E -AB 9 82A 10 7,-3.4 7,-2.7 80,-0.2 2,-0.4 -0.825 360.0-113.6-123.4 166.7 -4.3 12.9 32.0 3 4 A L E -A 8 0A 4 78,-1.8 2,-0.5 -2,-0.3 78,-0.4 -0.867 20.8-177.2-101.3 134.0 -3.1 16.5 31.5 4 5 A K E > S-A 7 0A 102 3,-3.1 3,-1.8 -2,-0.4 2,-0.3 -0.905 75.3 -51.6-124.0 100.1 -5.5 19.4 31.1 5 6 A G T 3 S- 0 0 10 59,-0.6 60,-0.2 -2,-0.5 59,-0.1 -0.582 120.8 -25.9 65.3-126.1 -3.2 22.3 30.5 6 7 A T T 3 S+ 0 0 77 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.392 121.8 96.2 -95.4 2.2 -0.6 22.1 33.3 7 8 A K E < -A 4 0A 134 -3,-1.8 -3,-3.1 54,-0.1 2,-0.5 -0.785 68.4-136.8-101.8 134.1 -3.0 20.3 35.7 8 9 A T E +A 3 0A 39 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.766 33.1 168.6 -86.0 125.3 -3.2 16.6 36.2 9 10 A V E -A 2 0A 41 -7,-2.7 -7,-3.4 -2,-0.5 2,-0.4 -0.897 34.8-103.9-131.8 164.8 -6.7 15.2 36.3 10 11 A D - 0 0 110 -2,-0.3 2,-0.5 -9,-0.2 -7,-0.0 -0.760 25.1-165.0 -93.0 132.4 -8.4 11.8 36.2 11 12 A L - 0 0 36 -2,-0.4 2,-0.1 4,-0.0 -2,-0.0 -0.978 15.5-144.1-113.6 124.9 -10.1 10.5 33.1 12 13 A S > - 0 0 38 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.394 23.4-111.6 -85.2 163.5 -12.4 7.4 33.6 13 14 A K H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 119.7 49.4 -57.6 -43.4 -12.9 4.5 31.2 14 15 A D H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 110.5 49.7 -64.5 -41.8 -16.5 5.7 30.5 15 16 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.906 112.8 47.9 -61.6 -43.9 -15.3 9.3 29.8 16 17 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.942 108.8 52.4 -61.8 -50.7 -12.6 8.0 27.4 17 18 A T H X S+ 0 0 75 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.839 107.7 54.1 -54.9 -37.0 -15.1 5.7 25.6 18 19 A E H < S+ 0 0 116 -4,-1.8 3,-0.5 2,-0.2 4,-0.3 0.911 110.0 45.1 -64.6 -46.1 -17.4 8.7 25.1 19 20 A I H >< S+ 0 0 55 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.926 106.7 59.2 -64.0 -46.6 -14.6 10.8 23.5 20 21 A I H >< S+ 0 0 29 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.744 90.5 77.1 -52.2 -27.1 -13.4 7.9 21.3 21 22 A G T 3< S+ 0 0 59 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.752 84.7 57.5 -59.5 -32.2 -17.0 7.9 19.8 22 23 A Q T < S+ 0 0 112 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 0.424 104.8 67.7 -77.7 1.2 -16.5 10.9 17.5 23 24 A F < - 0 0 23 -3,-1.7 25,-0.2 -4,-0.2 24,-0.1 -0.920 64.8-151.5-129.9 148.3 -13.6 9.2 15.9 24 25 A D S S+ 0 0 121 23,-1.5 2,-0.3 -2,-0.3 24,-0.2 0.721 83.2 32.7 -87.1 -24.4 -13.1 6.2 13.6 25 26 A R E -c 48 0A 83 22,-1.4 24,-3.0 2,-0.0 2,-0.4 -0.927 62.0-149.6-134.2 155.4 -9.6 5.3 14.7 26 27 A V E -c 49 0A 2 -2,-0.3 72,-2.3 22,-0.2 73,-1.5 -0.996 13.1-169.3-126.4 128.3 -7.4 5.5 17.9 27 28 A H E -cd 50 99A 17 22,-2.7 24,-3.1 -2,-0.4 2,-0.5 -0.964 5.0-158.7-116.7 131.9 -3.7 5.9 17.8 28 29 A I E -cd 51 100A 0 71,-2.5 73,-2.7 -2,-0.4 2,-0.6 -0.934 3.2-166.2-109.6 129.0 -1.3 5.5 20.7 29 30 A D E > -cd 52 101A 0 22,-3.0 24,-2.9 -2,-0.5 3,-0.6 -0.954 14.4-155.3-110.5 108.9 2.1 7.1 20.8 30 31 A M E 3 S+c 53 0A 2 71,-2.7 73,-0.5 -2,-0.6 24,-0.1 -0.721 79.0 14.6 -89.0 134.1 4.1 5.6 23.7 31 32 A G T 3 S+ 0 0 1 22,-1.6 -1,-0.3 -2,-0.4 23,-0.2 0.938 80.4 175.9 66.0 49.1 7.0 7.7 25.1 32 33 A T X - 0 0 0 21,-2.5 3,-0.9 -3,-0.6 5,-0.4 0.699 11.9-168.0 -65.7 -23.6 5.4 10.7 23.3 33 34 A G T 3 + 0 0 3 20,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.557 64.9 1.8 75.4-128.5 7.9 13.3 24.7 34 35 A D T 3 S- 0 0 12 369,-0.4 29,-0.5 -2,-0.3 -1,-0.2 0.474 91.9-120.4 -79.7 -2.8 7.0 16.9 24.2 35 36 A G S <> S+ 0 0 0 -3,-0.9 4,-2.1 28,-0.1 5,-0.1 0.369 83.5 112.8 83.6 -4.5 3.7 16.2 22.4 36 37 A R H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.861 74.1 52.1 -71.0 -35.8 4.7 18.0 19.2 37 38 A N H > S+ 0 0 4 -5,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.932 113.6 43.5 -63.4 -47.0 4.8 14.8 17.1 38 39 A I H > S+ 0 0 0 -6,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.857 109.5 57.6 -67.6 -36.2 1.3 13.9 18.2 39 40 A Y H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.911 108.1 47.4 -57.0 -44.9 0.1 17.4 17.7 40 41 A K H X S+ 0 0 68 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.910 112.0 48.8 -67.0 -43.4 1.2 17.3 14.0 41 42 A L H < S+ 0 0 63 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.908 113.6 48.5 -59.1 -42.0 -0.4 13.9 13.4 42 43 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.889 107.6 51.4 -68.7 -43.1 -3.6 15.2 15.0 43 44 A I H 3< S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.729 112.8 49.5 -66.7 -21.0 -3.9 18.5 13.1 44 45 A N T 3< S+ 0 0 122 -4,-1.0 -1,-0.2 1,-0.2 2,-0.2 0.501 117.8 36.9 -95.1 -5.0 -3.4 16.4 9.9 45 46 A D X + 0 0 54 -3,-1.1 3,-1.0 -4,-0.4 -1,-0.2 -0.722 54.2 176.6-153.3 94.7 -6.1 13.8 10.7 46 47 A Q T 3 S+ 0 0 101 1,-0.2 -4,-0.1 -2,-0.2 -3,-0.1 0.352 78.4 65.0 -85.8 8.3 -9.3 14.8 12.4 47 48 A N T 3 S+ 0 0 68 -24,-0.1 -23,-1.5 -23,-0.1 -22,-1.4 0.243 91.4 73.8-110.8 10.5 -10.9 11.3 12.3 48 49 A T E < S-c 25 0A 1 -3,-1.0 2,-0.6 -24,-0.2 -22,-0.2 -0.980 73.9-139.4-119.3 137.6 -8.3 9.7 14.5 49 50 A F E -c 26 0A 7 -24,-3.0 -22,-2.7 -2,-0.4 2,-0.5 -0.873 22.0-147.8 -94.0 124.7 -8.1 10.1 18.3 50 51 A Y E -ce 27 79A 14 28,-3.4 30,-2.2 -2,-0.6 2,-0.6 -0.803 13.3-170.2-102.1 127.8 -4.5 10.5 19.4 51 52 A I E -ce 28 80A 0 -24,-3.1 -22,-3.0 -2,-0.5 2,-0.5 -0.962 4.8-167.7-117.7 112.3 -3.3 9.3 22.8 52 53 A G E -ce 29 81A 0 28,-2.6 30,-2.7 -2,-0.6 2,-0.4 -0.896 6.3-163.9-102.2 127.0 0.2 10.4 23.8 53 54 A I E +ce 30 82A 1 -24,-2.9 -21,-2.5 -2,-0.5 -22,-1.6 -0.933 21.3 145.7-116.3 131.1 1.7 8.6 26.8 54 55 A D - 0 0 0 28,-2.0 30,-0.3 -2,-0.4 31,-0.2 -0.938 44.1-140.3-159.5 138.9 4.8 9.8 28.8 55 56 A P S S+ 0 0 53 0, 0.0 2,-0.9 0, 0.0 30,-0.1 0.602 89.5 80.4 -75.1 -9.5 5.8 9.6 32.5 56 57 A V + 0 0 11 1,-0.2 3,-0.5 28,-0.2 4,-0.2 -0.789 52.4 173.1-101.6 94.4 7.3 13.2 32.2 57 58 A K S > S+ 0 0 75 -2,-0.9 3,-1.6 1,-0.2 4,-0.5 0.817 70.5 68.8 -68.1 -30.7 4.3 15.6 32.6 58 59 A E G > S+ 0 0 60 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.835 95.7 52.8 -61.8 -35.8 6.5 18.7 32.7 59 60 A N G 3 S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.2 4,-0.3 0.505 106.7 54.9 -79.8 -3.7 7.7 18.4 29.1 60 61 A L G <> S+ 0 0 0 -3,-1.6 4,-2.9 -4,-0.2 5,-0.2 0.468 78.5 95.2-104.0 -5.9 4.1 18.2 27.9 61 62 A F H <> S+ 0 0 52 -3,-0.9 4,-2.4 -4,-0.5 5,-0.2 0.886 82.7 50.9 -55.1 -46.6 2.9 21.5 29.6 62 63 A D H > S+ 0 0 41 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.960 118.1 35.4 -57.1 -58.0 3.4 23.7 26.5 63 64 A I H > S+ 0 0 7 -29,-0.5 4,-2.5 -4,-0.3 5,-0.2 0.862 115.1 57.4 -68.2 -35.9 1.5 21.5 24.0 64 65 A S H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -59,-0.6 0.899 108.8 46.4 -60.6 -39.9 -1.1 20.5 26.7 65 66 A K H < S+ 0 0 96 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.810 111.7 53.6 -68.5 -32.1 -1.9 24.2 27.2 66 67 A K H >< S+ 0 0 64 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.914 104.7 51.0 -70.0 -45.2 -2.1 24.6 23.4 67 68 A I H 3< S+ 0 0 18 -4,-2.5 9,-1.8 1,-0.3 -1,-0.2 0.695 104.5 60.5 -69.1 -18.1 -4.6 21.8 22.7 68 69 A I T 3< S+ 0 0 96 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.653 87.9 93.4 -81.4 -19.7 -6.9 23.3 25.5 69 70 A K S < S- 0 0 100 -3,-1.2 7,-0.1 -4,-0.5 5,-0.1 -0.110 94.9 -78.4 -66.4 168.4 -7.2 26.6 23.6 70 71 A K > > - 0 0 131 1,-0.1 3,-2.4 5,-0.1 5,-1.9 -0.414 47.2-108.2 -64.9 148.5 -10.1 27.4 21.2 71 72 A P G > 5S+ 0 0 103 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.851 119.7 60.3 -48.2 -40.5 -9.6 25.8 17.8 72 73 A S G 3 5S+ 0 0 91 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.724 107.4 46.8 -60.9 -21.5 -8.9 29.2 16.2 73 74 A K G < 5S- 0 0 117 -3,-2.4 -1,-0.3 -7,-0.1 -4,-0.1 0.183 136.2 -79.3-107.7 14.1 -5.9 29.5 18.6 74 75 A G T < 5S+ 0 0 16 -3,-1.8 -2,-0.1 1,-0.3 -4,-0.1 0.436 80.2 148.4 105.9 1.4 -4.5 26.1 18.0 75 76 A G < - 0 0 7 -5,-1.9 2,-0.3 -7,-0.1 -1,-0.3 -0.208 28.7-157.1 -61.1 156.1 -6.7 23.9 20.2 76 77 A L - 0 0 25 -9,-1.8 3,-0.2 -7,-0.1 -33,-0.1 -0.989 20.8-161.9-138.9 147.6 -7.5 20.4 19.2 77 78 A S S S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.410 86.0 62.8-105.1 -1.5 -10.4 18.0 20.1 78 79 A N S S+ 0 0 0 -29,-0.1 -28,-3.4 -11,-0.0 2,-0.4 0.001 85.9 82.5-117.6 29.2 -8.6 14.8 19.1 79 80 A V E + e 0 50A 13 -3,-0.2 2,-0.3 -30,-0.2 -28,-0.2 -0.998 42.1 173.2-136.6 135.4 -5.6 14.6 21.5 80 81 A V E - e 0 51A 13 -30,-2.2 -28,-2.6 -2,-0.4 2,-0.5 -0.993 19.9-146.0-135.3 143.7 -5.2 13.4 25.1 81 82 A F E - e 0 52A 0 -78,-0.4 -78,-1.8 -2,-0.3 2,-0.5 -0.951 12.8-161.4-109.9 121.0 -1.9 13.1 27.1 82 83 A V E -Be 2 53A 15 -30,-2.7 -28,-2.0 -2,-0.5 2,-1.0 -0.885 13.0-141.3-103.7 127.8 -1.8 10.3 29.6 83 84 A I + 0 0 29 -82,-2.2 2,-0.3 -2,-0.5 -30,-0.1 -0.792 58.5 104.8 -91.2 100.8 0.9 10.5 32.3 84 85 A A - 0 0 13 -2,-1.0 2,-0.2 -30,-0.3 -28,-0.2 -0.965 59.6-116.2-164.0 167.7 2.1 6.9 32.7 85 86 A A > - 0 0 25 -2,-0.3 3,-1.7 -31,-0.2 4,-0.4 -0.706 33.9-105.2-111.0 165.2 5.0 4.6 31.8 86 87 A A T 3 S+ 0 0 2 1,-0.3 3,-0.4 -2,-0.2 37,-0.1 0.784 124.0 55.2 -54.6 -29.8 5.3 1.5 29.6 87 88 A E T 3 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.672 89.9 82.2 -71.7 -19.8 5.4 -0.5 32.9 88 89 A S < - 0 0 66 -3,-1.7 -1,-0.2 1,-0.1 3,-0.2 0.718 69.0-159.9 -70.1 -33.6 2.1 1.0 34.1 89 90 A M - 0 0 92 -4,-0.4 2,-0.1 -3,-0.4 5,-0.1 0.839 11.0-158.0 54.9 43.1 -0.6 -1.1 32.3 90 91 A P > - 0 0 22 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.319 9.3-144.0 -55.5 118.1 -3.4 1.4 32.7 91 92 A F G > S+ 0 0 141 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.781 92.9 66.3 -58.4 -31.2 -6.5 -0.8 32.3 92 93 A E G 3 S+ 0 0 36 1,-0.3 -1,-0.3 4,-0.0 -80,-0.0 0.778 97.8 55.1 -61.8 -27.1 -8.5 1.9 30.5 93 94 A L G X S+ 0 0 6 -3,-1.6 3,-1.0 3,-0.0 4,-0.3 0.426 78.6 123.0 -90.7 1.9 -6.2 1.6 27.5 94 95 A K T < S- 0 0 59 -3,-1.6 33,-0.3 1,-0.2 32,-0.1 -0.441 85.4 -5.7 -66.5 131.6 -6.6 -2.1 27.0 95 96 A N T 3 S+ 0 0 111 31,-2.7 -1,-0.2 33,-0.3 33,-0.2 0.830 103.6 112.3 59.5 38.7 -7.7 -3.2 23.5 96 97 A I < + 0 0 12 31,-1.7 2,-0.4 -3,-1.0 32,-0.2 0.698 45.4 87.8-113.4 -26.8 -8.3 0.4 22.4 97 98 A A E - f 0 128A 0 30,-2.8 32,-2.9 -4,-0.3 35,-0.2 -0.669 42.8-170.0 -97.3 131.4 -5.7 1.3 19.7 98 99 A D E S+ 0 0 12 -72,-2.3 35,-2.1 -2,-0.4 2,-0.3 0.721 88.6 12.7 -74.3 -26.2 -5.9 0.8 15.9 99 100 A S E -df 27 133A 7 -73,-1.5 -71,-2.5 33,-0.3 2,-0.4 -0.991 65.3-162.4-152.1 153.2 -2.2 1.7 15.8 100 101 A I E -df 28 134A 1 33,-1.9 35,-1.8 -2,-0.3 2,-0.4 -1.000 8.8-170.9-139.8 136.9 0.7 2.1 18.2 101 102 A S E -df 29 135A 0 -73,-2.7 -71,-2.7 -2,-0.4 2,-0.4 -0.954 17.0-169.4-130.0 148.0 4.0 3.9 17.7 102 103 A I E - f 0 136A 0 33,-2.3 35,-2.7 -2,-0.4 2,-0.5 -0.931 23.6-169.8-130.0 110.2 7.2 4.2 19.7 103 104 A L E - f 0 137A 5 -73,-0.5 35,-0.2 -2,-0.4 33,-0.0 -0.896 58.7 -24.3-112.2 126.7 9.3 7.0 18.0 104 105 A F S S- 0 0 1 33,-2.3 -1,-0.2 -2,-0.5 34,-0.2 0.856 81.1-165.9 47.6 49.0 13.0 7.8 18.8 105 106 A P - 0 0 2 0, 0.0 34,-0.3 0, 0.0 2,-0.3 -0.193 8.5-172.7 -65.5 157.5 12.8 6.3 22.3 106 107 A W >> + 0 0 51 32,-0.1 3,-0.8 -75,-0.0 4,-0.5 -0.904 46.6 10.9-141.9 166.8 15.6 6.9 24.9 107 108 A G H >> S- 0 0 24 -2,-0.3 4,-1.4 1,-0.2 3,-0.5 -0.285 127.1 -10.1 63.3-142.4 16.5 5.7 28.3 108 109 A T H 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 134.6 58.6 -58.4 -39.8 14.6 2.6 29.6 109 110 A L H <> S+ 0 0 2 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.873 102.5 53.9 -61.4 -38.5 12.0 2.7 26.8 110 111 A L H S+ 0 0 27 -4,-2.2 5,-2.8 1,-0.2 -1,-0.2 0.853 114.0 39.5 -58.2 -37.6 12.7 -2.3 26.2 113 114 A V H <5S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.894 122.8 39.8 -77.7 -42.6 12.3 -2.0 22.4 114 115 A I H <5S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.838 124.2 32.2 -81.7 -37.5 15.9 -3.0 21.4 115 116 A K T <5S- 0 0 116 -4,-3.1 -1,-0.1 -5,-0.2 -3,-0.1 0.921 112.3-126.1 -53.4 -56.5 16.6 -5.9 23.9 116 117 A P T 5 - 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