==== 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 02-OCT-10 3P2E . COMPND 2 MOLECULE: 16S RRNA METHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SIVARAMAN,N.HUSAIN . 404 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 11.9 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 . 4 1.0 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 . 33 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 23.8 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 2 2 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 2 2 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 . 4 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 0 107 0, 0.0 82,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 124.9 10.6 -4.1 -10.9 2 3 A I E -AB 9 82A 22 7,-2.9 7,-2.9 80,-0.2 2,-0.5 -0.865 360.0-109.5-130.8 165.6 13.1 -4.2 -8.1 3 4 A L E -A 8 0A 9 78,-1.9 2,-0.6 -2,-0.3 78,-0.4 -0.843 20.0-174.6-102.1 132.4 16.7 -3.1 -7.7 4 5 A K E > S-A 7 0A 122 3,-3.5 3,-1.7 -2,-0.5 2,-0.4 -0.877 76.7 -53.1-120.1 90.3 19.6 -5.5 -7.4 5 6 A G T 3 S- 0 0 9 -2,-0.6 60,-0.1 59,-0.5 59,-0.1 -0.643 120.4 -24.8 74.2-128.6 22.5 -3.1 -6.7 6 7 A T T 3 S+ 0 0 77 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.380 123.1 94.9 -96.6 3.5 22.3 -0.5 -9.5 7 8 A K E < S-A 4 0A 133 -3,-1.7 -3,-3.5 54,-0.1 2,-0.5 -0.773 70.4-134.8-100.7 139.0 20.5 -2.9 -11.8 8 9 A T E +A 3 0A 45 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.774 32.8 172.1 -90.6 130.5 16.8 -3.2 -12.3 9 10 A V E -A 2 0A 27 -7,-2.9 -7,-2.9 -2,-0.5 2,-0.4 -0.934 32.8-105.9-136.4 160.2 15.5 -6.8 -12.4 10 11 A D - 0 0 114 -2,-0.3 2,-0.5 -9,-0.2 -7,-0.0 -0.734 25.3-167.8 -92.2 132.3 12.1 -8.5 -12.4 11 12 A L - 0 0 34 -2,-0.4 2,-0.1 4,-0.0 -2,-0.0 -0.981 15.9-143.7-118.3 121.0 10.8 -10.3 -9.3 12 13 A S > - 0 0 38 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.316 24.2-109.8 -80.5 166.5 7.8 -12.5 -9.8 13 14 A K H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 120.2 50.7 -61.4 -42.2 4.9 -13.0 -7.4 14 15 A D H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 109.5 50.0 -64.9 -36.9 6.1 -16.5 -6.6 15 16 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 110.9 49.6 -67.9 -40.3 9.6 -15.4 -5.9 16 17 A L H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.923 108.4 52.8 -63.4 -44.9 8.3 -12.7 -3.6 17 18 A T H X S+ 0 0 76 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.888 107.7 52.1 -58.5 -39.7 6.2 -15.2 -1.7 18 19 A E H < S+ 0 0 121 -4,-1.7 4,-0.4 2,-0.2 3,-0.2 0.917 111.0 46.8 -63.8 -44.0 9.2 -17.4 -1.2 19 20 A I H >< S+ 0 0 61 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.923 108.5 54.6 -63.8 -45.7 11.2 -14.5 0.3 20 21 A I H >< S+ 0 0 28 -4,-2.8 3,-2.2 1,-0.2 -1,-0.2 0.780 90.6 82.6 -58.6 -27.1 8.4 -13.5 2.5 21 22 A G T 3< S+ 0 0 62 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.764 84.3 53.3 -49.9 -36.1 8.3 -17.0 3.9 22 23 A Q T < S+ 0 0 163 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.300 104.2 69.6 -86.8 12.0 11.2 -16.6 6.4 23 24 A F < - 0 0 27 -3,-2.2 25,-0.2 1,-0.1 24,-0.1 -0.956 64.0-151.6-130.9 147.8 9.5 -13.6 8.0 24 25 A D S S+ 0 0 123 23,-1.3 2,-0.3 -2,-0.3 24,-0.2 0.687 82.2 33.4 -89.2 -19.5 6.4 -13.2 10.1 25 26 A R E -c 48 0A 92 22,-1.3 24,-2.8 -5,-0.1 2,-0.4 -0.931 62.1-150.5-135.8 158.9 5.5 -9.6 9.1 26 27 A V E -c 49 0A 2 -2,-0.3 72,-2.8 22,-0.2 73,-1.3 -0.998 11.8-168.6-130.8 128.6 5.8 -7.4 6.0 27 28 A H E -cd 50 99A 18 22,-2.7 24,-3.0 -2,-0.4 2,-0.5 -0.971 4.5-159.4-120.2 132.7 6.2 -3.6 6.1 28 29 A I E -cd 51 100A 0 71,-2.5 73,-2.5 -2,-0.4 2,-0.6 -0.941 3.6-166.6-113.2 130.7 5.8 -1.3 3.1 29 30 A D E > -cd 52 101A 1 22,-2.9 24,-2.7 -2,-0.5 3,-0.7 -0.956 14.4-155.4-116.5 107.7 7.3 2.2 3.0 30 31 A L E 3 S+c 53 0A 1 71,-2.5 73,-0.5 -2,-0.6 24,-0.2 -0.718 78.9 15.4 -87.7 131.7 5.9 4.1 0.1 31 32 A G T 3 S+ 0 0 1 22,-2.0 -1,-0.3 -2,-0.4 23,-0.2 0.900 80.9 173.5 71.5 43.1 8.0 7.0 -1.3 32 33 A T X - 0 0 0 21,-2.3 3,-0.9 -3,-0.7 5,-0.4 0.670 14.3-165.9 -60.5 -22.2 10.9 5.5 0.6 33 34 A G T 3 + 0 0 3 20,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.525 63.8 0.6 75.7-131.1 13.5 7.9 -0.8 34 35 A D T 3 S- 0 0 13 373,-0.4 29,-0.4 -2,-0.3 -1,-0.2 0.425 92.3-119.1 -78.7 1.9 17.2 7.0 -0.3 35 36 A G S <> S+ 0 0 0 -3,-0.9 4,-1.8 28,-0.1 5,-0.1 0.403 83.2 114.0 78.7 -2.8 16.5 3.8 1.5 36 37 A R H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.857 74.4 51.1 -70.9 -34.9 18.2 4.9 4.7 37 38 A N H > S+ 0 0 6 -5,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.934 113.4 44.6 -67.2 -44.0 15.1 4.9 6.8 38 39 A I H > S+ 0 0 0 -6,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.850 108.5 58.5 -68.3 -34.1 14.1 1.4 5.8 39 40 A Y H X S+ 0 0 36 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.904 107.3 47.3 -61.6 -41.8 17.7 0.2 6.2 40 41 A K H X S+ 0 0 73 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.898 111.9 49.1 -67.9 -40.9 17.5 1.2 9.9 41 42 A L H < S+ 0 0 70 -4,-1.8 4,-0.4 1,-0.2 3,-0.3 0.935 113.9 47.2 -62.3 -44.8 14.2 -0.4 10.4 42 43 A A H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.871 107.2 54.6 -65.0 -41.5 15.4 -3.6 8.8 43 44 A I H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.803 111.3 47.5 -65.4 -26.2 18.7 -3.7 10.8 44 45 A N T 3< S+ 0 0 116 -4,-1.3 -1,-0.2 -3,-0.3 2,-0.2 0.472 117.2 39.1 -94.9 -0.6 16.7 -3.5 14.0 45 46 A D X + 0 0 56 -3,-1.0 3,-0.9 -4,-0.4 -1,-0.2 -0.724 53.4 176.0-152.6 96.6 14.0 -6.2 13.2 46 47 A Q T 3 S+ 0 0 100 -2,-0.2 -4,-0.1 1,-0.2 -1,-0.1 0.297 77.6 66.8 -85.2 10.1 15.0 -9.4 11.4 47 48 A N T 3 S+ 0 0 73 -24,-0.1 -23,-1.3 -23,-0.1 -22,-1.3 0.192 91.6 73.5-111.5 11.7 11.5 -10.9 11.6 48 49 A T E < S-c 25 0A 1 -3,-0.9 2,-0.6 -24,-0.2 -22,-0.2 -0.989 74.0-139.7-126.8 135.4 10.0 -8.3 9.3 49 50 A F E -c 26 0A 6 -24,-2.8 -22,-2.7 -2,-0.4 2,-0.5 -0.862 22.4-148.2 -95.9 122.7 10.4 -8.1 5.6 50 51 A Y E -ce 27 79A 18 28,-3.2 30,-2.0 -2,-0.6 2,-0.6 -0.809 13.1-170.5 -99.5 127.6 10.8 -4.5 4.5 51 52 A I E -ce 28 80A 0 -24,-3.0 -22,-2.9 -2,-0.5 2,-0.6 -0.954 3.4-168.0-118.5 112.8 9.6 -3.2 1.1 52 53 A G E -ce 29 81A 0 28,-2.4 30,-2.7 -2,-0.6 2,-0.4 -0.902 6.8-163.7-104.8 124.6 10.6 0.3 0.1 53 54 A I E +ce 30 82A 0 -24,-2.7 -21,-2.3 -2,-0.6 -22,-2.0 -0.895 21.2 145.8-112.0 132.8 8.9 1.7 -2.9 54 55 A D - 0 0 0 28,-2.2 30,-0.2 -2,-0.4 31,-0.2 -0.934 43.4-140.5-162.1 139.2 10.0 4.8 -4.9 55 56 A P S S+ 0 0 52 0, 0.0 2,-1.0 0, 0.0 30,-0.1 0.642 89.7 79.1 -76.0 -13.7 9.8 5.8 -8.6 56 57 A V + 0 0 11 1,-0.2 3,-0.5 28,-0.2 4,-0.3 -0.784 53.4 173.4 -98.5 95.8 13.3 7.3 -8.5 57 58 A K >> + 0 0 75 -2,-1.0 3,-1.6 1,-0.2 4,-0.5 0.828 69.7 69.6 -70.8 -30.8 15.7 4.4 -8.7 58 59 A E G >4 S+ 0 0 62 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.829 94.6 53.7 -57.8 -36.2 18.8 6.6 -8.9 59 60 A N G 34 S+ 0 0 10 -3,-0.5 -1,-0.3 1,-0.2 4,-0.3 0.586 105.7 55.1 -78.1 -6.9 18.6 7.8 -5.3 60 61 A L G <> S+ 0 0 0 -3,-1.6 4,-2.8 -4,-0.3 5,-0.3 0.490 77.8 97.6-100.5 -6.7 18.5 4.2 -4.0 61 62 A F H S+ 0 0 48 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.958 118.1 36.4 -61.6 -52.5 24.0 3.5 -2.6 63 64 A I H > S+ 0 0 6 -29,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.846 114.6 57.2 -70.5 -31.2 21.8 1.6 -0.1 64 65 A S H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -59,-0.5 0.893 108.2 47.5 -64.7 -37.8 20.7 -0.9 -2.8 65 66 A K H < S+ 0 0 90 -4,-2.2 3,-0.2 -5,-0.3 4,-0.2 0.829 110.8 53.9 -70.5 -31.8 24.4 -1.7 -3.3 66 67 A K H >< S+ 0 0 79 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.911 103.0 53.1 -70.6 -43.4 24.9 -2.0 0.4 67 68 A I H 3< S+ 0 0 19 -4,-2.3 9,-1.7 1,-0.3 -1,-0.2 0.686 103.5 58.5 -68.8 -16.0 22.1 -4.5 1.2 68 69 A I T 3< S+ 0 0 104 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.504 89.3 93.9 -89.9 -5.4 23.5 -6.9 -1.4 69 70 A K S < S- 0 0 106 -3,-1.5 5,-0.1 -4,-0.2 7,-0.1 -0.216 94.0 -74.0 -77.4 174.4 26.9 -7.1 0.3 70 71 A K > > - 0 0 120 1,-0.1 3,-2.8 5,-0.1 5,-2.1 -0.388 45.4-110.2 -70.3 149.1 27.7 -9.9 2.8 71 72 A P G > 5S+ 0 0 105 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.872 120.4 56.2 -44.6 -45.6 26.1 -9.5 6.3 72 73 A S G 3 5S+ 0 0 93 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.686 109.3 49.1 -63.4 -16.4 29.5 -8.7 7.8 73 74 A K G < 5S- 0 0 123 -3,-2.8 -1,-0.3 -7,-0.1 -4,-0.1 0.241 134.5 -81.4-107.7 11.6 29.7 -5.8 5.3 74 75 A G T < 5S+ 0 0 15 -3,-1.9 -2,-0.1 1,-0.3 -4,-0.1 0.422 79.7 148.6 105.7 -1.0 26.3 -4.3 5.9 75 76 A G < - 0 0 7 -5,-2.1 2,-0.3 -7,-0.1 -1,-0.3 -0.293 27.9-160.3 -66.3 152.4 24.3 -6.6 3.7 76 77 A L - 0 0 24 -9,-1.7 3,-0.2 3,-0.1 -33,-0.1 -0.971 20.1-162.5-134.1 149.3 20.7 -7.4 4.7 77 78 A S S S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.401 84.8 64.2-109.9 0.3 18.3 -10.2 3.8 78 79 A N S S+ 0 0 0 -29,-0.1 -28,-3.2 -11,-0.0 2,-0.4 -0.051 85.9 81.1-116.7 33.5 15.1 -8.5 4.8 79 80 A V E + e 0 50A 13 -3,-0.2 2,-0.3 -30,-0.2 -28,-0.2 -0.999 43.4 174.7-140.3 139.0 14.9 -5.6 2.4 80 81 A V E - e 0 51A 16 -30,-2.0 -28,-2.4 -2,-0.4 2,-0.6 -0.993 20.7-143.2-141.6 139.5 13.8 -5.1 -1.2 81 82 A F E - e 0 52A 1 -78,-0.4 -78,-1.9 -2,-0.3 2,-0.5 -0.937 15.2-161.7-109.0 119.9 13.5 -1.9 -3.2 82 83 A V E -Be 2 53A 9 -30,-2.7 -28,-2.2 -2,-0.6 2,-1.0 -0.863 11.9-142.7-103.4 130.4 10.6 -1.7 -5.6 83 84 A I + 0 0 27 -82,-2.4 2,-0.3 -2,-0.5 -30,-0.1 -0.811 55.9 106.7 -97.0 101.5 10.6 0.9 -8.4 84 85 A A - 0 0 13 -2,-1.0 2,-0.3 -30,-0.2 -28,-0.2 -0.962 56.8-121.5-162.8 168.5 7.0 2.0 -8.7 85 86 A A B > -I 88 0B 17 3,-0.5 3,-1.6 -2,-0.3 -31,-0.1 -0.822 30.7-109.8-119.4 160.8 4.8 5.0 -8.0 86 87 A A T > S+ 0 0 0 -2,-0.3 3,-0.5 1,-0.3 37,-0.1 0.781 118.3 57.2 -59.2 -28.3 1.6 5.4 -5.9 87 88 A E T 3 S+ 0 0 86 1,-0.2 -1,-0.3 36,-0.0 2,-0.0 0.658 118.9 29.5 -77.7 -16.7 -0.4 5.8 -9.1 88 89 A S B < S+I 85 0B 83 -3,-1.6 -3,-0.5 2,-0.0 -1,-0.2 -0.470 78.8 177.0-143.4 67.6 0.8 2.5 -10.5 89 90 A L < - 0 0 22 -3,-0.5 2,-0.1 -5,-0.1 -3,-0.1 -0.442 38.8 -99.0 -74.6 145.7 1.5 0.0 -7.7 90 91 A P > - 0 0 25 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.412 20.3-136.4 -65.7 134.4 2.6 -3.6 -8.6 91 92 A F G > S+ 0 0 148 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.747 100.6 71.5 -63.6 -22.9 -0.2 -6.2 -8.4 92 93 A E G 3 S+ 0 0 35 1,-0.3 -1,-0.3 4,-0.0 -3,-0.0 0.704 92.7 57.1 -67.6 -17.5 2.2 -8.5 -6.6 93 94 A L G X S+ 0 0 6 -3,-1.7 3,-1.1 3,-0.0 4,-0.4 0.425 76.6 126.2 -94.1 1.3 2.0 -6.3 -3.5 94 95 A K T < S- 0 0 74 -3,-1.5 33,-0.3 1,-0.3 32,-0.1 -0.376 83.8 -5.7 -64.0 134.0 -1.7 -6.5 -3.1 95 96 A N T 3 S+ 0 0 107 31,-2.9 -1,-0.3 33,-0.2 33,-0.2 0.851 103.9 111.5 51.7 45.8 -2.9 -7.7 0.3 96 97 A I < + 0 0 14 31,-1.7 2,-0.3 -3,-1.1 32,-0.2 0.656 45.7 89.6-119.6 -22.8 0.6 -8.3 1.5 97 98 A A E - f 0 128A 0 30,-2.8 32,-2.7 -4,-0.4 -70,-0.2 -0.636 43.7-168.5 -94.4 138.7 1.5 -5.8 4.2 98 99 A D E S+ 0 0 7 -72,-2.8 35,-2.0 -2,-0.3 2,-0.3 0.680 88.3 14.7 -84.3 -21.4 1.0 -5.9 8.0 99 100 A S E -df 27 133A 10 -73,-1.3 -71,-2.5 33,-0.3 2,-0.4 -0.992 64.4-162.5-155.1 147.1 1.9 -2.2 8.1 100 101 A I E -df 28 134A 2 33,-2.0 35,-1.8 -2,-0.3 2,-0.3 -0.997 10.1-173.7-134.7 136.4 2.3 0.7 5.6 101 102 A S E -df 29 135A 1 -73,-2.5 -71,-2.5 -2,-0.4 2,-0.4 -0.951 17.8-169.9-132.9 150.8 4.1 4.0 6.1 102 103 A I E - f 0 136A 0 33,-2.1 35,-2.6 -2,-0.3 2,-0.5 -0.940 23.6-168.3-135.2 108.3 4.4 7.3 4.1 103 104 A L E - f 0 137A 5 -73,-0.5 35,-0.2 -2,-0.4 33,-0.1 -0.903 59.1 -24.4-112.0 128.5 7.1 9.4 5.8 104 105 A F S S- 0 0 1 33,-2.2 -1,-0.2 -2,-0.5 34,-0.2 0.874 82.6-166.2 44.1 51.1 7.9 13.1 5.0 105 106 A P - 0 0 2 0, 0.0 34,-0.3 0, 0.0 2,-0.3 -0.187 9.5-172.8 -64.6 160.2 6.4 12.8 1.5 106 107 A W >> + 0 0 54 32,-0.1 3,-0.8 -75,-0.0 4,-0.5 -0.925 46.8 14.1-145.6 165.4 7.0 15.6 -1.0 107 108 A G H 3> S- 0 0 24 -2,-0.3 4,-1.5 1,-0.2 3,-0.4 -0.325 126.0 -13.0 67.6-146.2 5.7 16.3 -4.5 108 109 A T H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.854 134.3 59.7 -61.5 -35.1 2.6 14.5 -5.7 109 110 A L H <> S+ 0 0 2 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.898 102.5 53.0 -62.1 -39.5 2.7 11.9 -2.9 110 111 A L H X S+ 0 0 16 -4,-0.5 4,-2.6 -3,-0.4 3,-0.3 0.941 109.8 48.4 -60.8 -45.2 2.4 14.7 -0.3 111 112 A E H X S+ 0 0 76 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.882 106.1 56.9 -63.9 -37.0 -0.7 16.0 -2.0 112 113 A Y H <>S+ 0 0 25 -4,-2.2 5,-2.4 1,-0.2 -1,-0.2 0.854 113.7 40.9 -62.8 -32.7 -2.3 12.5 -2.2 113 114 A V H <5S+ 0 0 1 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.910 121.4 39.3 -80.7 -43.5 -2.0 12.3 1.5 114 115 A I H <5S+ 0 0 36 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.827 124.6 31.8 -78.5 -35.4 -3.0 15.8 2.5 115 116 A K T <5S- 0 0 113 -4,-2.6 -1,-0.1 -5,-0.2 -3,-0.1 0.942 111.5-128.1 -52.6 -60.0 -5.8 16.6 0.0 116 117 A P T 5 - 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