==== 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-MAR-99 1QAQ . COMPND 2 MOLECULE: ERMC' RRNA METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.SCHLUCKEBIER,P.ZHONG,K. D.STEWART,T. J.KAVANAUGH,C.ABAD-ZA . 237 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 8.4 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 . 0 0.0 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 . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 1 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 9 A S 0 0 164 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.6 24.9 36.3 18.1 2 10 A Q - 0 0 45 93,-0.1 2,-0.2 236,-0.0 0, 0.0 -0.841 360.0-153.8 -98.8 134.9 21.3 36.6 19.5 3 11 A N - 0 0 35 -2,-0.4 2,-0.3 152,-0.0 155,-0.1 -0.628 6.9-156.6-104.5 168.2 18.4 36.9 17.0 4 12 A F B -A 156 0A 28 152,-1.4 152,-0.9 -2,-0.2 2,-0.6 -0.975 19.8-141.3-144.2 156.8 15.0 38.5 17.3 5 13 A I + 0 0 0 233,-2.0 150,-0.2 -2,-0.3 149,-0.1 -0.924 33.3 159.2-117.7 101.8 11.4 38.4 15.9 6 14 A T + 0 0 75 -2,-0.6 2,-0.8 148,-0.3 -1,-0.1 0.410 34.9 103.9-108.1 2.9 10.3 42.0 15.9 7 15 A S >> - 0 0 54 147,-0.4 4,-2.6 1,-0.2 3,-1.0 -0.763 54.3-157.7 -88.3 112.0 7.4 42.1 13.3 8 16 A K H 3> S+ 0 0 105 -2,-0.8 4,-3.0 1,-0.3 5,-0.3 0.902 94.2 60.9 -54.0 -41.4 4.1 42.2 15.2 9 17 A H H 3> S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.882 110.4 41.3 -53.1 -38.0 2.4 40.8 12.1 10 18 A N H <> S+ 0 0 22 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.888 110.3 55.9 -76.8 -42.1 4.6 37.8 12.5 11 19 A I H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.923 107.2 50.7 -57.2 -44.8 4.3 37.6 16.3 12 20 A D H X S+ 0 0 62 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.924 105.8 55.5 -61.0 -42.3 0.5 37.4 16.0 13 21 A K H < S+ 0 0 105 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.2 0.908 112.2 43.7 -56.6 -39.7 0.8 34.6 13.4 14 22 A I H >X S+ 0 0 6 -4,-2.0 3,-1.0 1,-0.2 4,-0.6 0.845 108.0 56.4 -74.8 -34.4 2.8 32.6 16.0 15 23 A M H >< S+ 0 0 8 -4,-2.4 3,-0.7 1,-0.2 5,-0.2 0.810 94.0 72.7 -64.2 -30.3 0.5 33.5 19.0 16 24 A T T 3< S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 102.1 40.2 -50.3 -38.6 -2.3 32.0 16.9 17 25 A N T <4 S+ 0 0 43 -3,-1.0 2,-0.7 -4,-0.4 -1,-0.3 0.562 97.9 87.6 -89.7 -15.2 -0.8 28.5 17.5 18 26 A I << - 0 0 1 -3,-0.7 2,-1.3 -4,-0.6 98,-0.0 -0.809 63.4-160.0 -92.5 113.2 0.1 29.1 21.2 19 27 A R + 0 0 174 -2,-0.7 2,-0.4 2,-0.0 -3,-0.1 -0.623 33.4 145.3 -93.8 75.6 -2.9 28.3 23.3 20 28 A L - 0 0 6 -2,-1.3 2,-0.2 -5,-0.2 -2,-0.0 -0.905 31.9-152.4-109.2 143.0 -2.1 30.2 26.5 21 29 A N > - 0 0 71 -2,-0.4 3,-1.1 1,-0.0 24,-0.6 -0.582 29.3 -94.5-112.9 177.7 -5.0 31.7 28.5 22 30 A E T 3 S+ 0 0 129 22,-0.2 22,-0.1 1,-0.2 -1,-0.0 0.664 117.2 51.1 -60.7 -22.7 -5.8 34.6 30.8 23 31 A H T 3 S+ 0 0 130 21,-0.1 -1,-0.2 22,-0.1 2,-0.2 0.524 85.4 101.9 -98.2 -5.2 -5.3 32.5 34.0 24 32 A D < - 0 0 27 -3,-1.1 21,-1.6 64,-0.0 22,-1.2 -0.549 64.3-137.1 -81.9 141.7 -1.9 30.9 33.4 25 33 A N E -bc 46 88B 44 62,-0.6 64,-2.5 -2,-0.2 2,-0.4 -0.851 28.1-156.2 -94.4 133.6 1.3 32.2 34.9 26 34 A I E -bc 47 89B 2 20,-3.4 22,-3.2 -2,-0.5 2,-0.5 -0.910 19.9-161.1-120.6 140.8 4.1 32.2 32.3 27 35 A F E -bc 48 90B 13 62,-1.9 64,-1.9 -2,-0.4 2,-0.4 -0.971 18.4-158.8-111.9 119.3 7.9 32.1 32.5 28 36 A E E -bc 49 91B 0 20,-1.5 22,-2.4 -2,-0.5 2,-0.9 -0.860 10.9-139.3-101.8 139.2 9.5 33.4 29.3 29 37 A I E S-bc 50 92B 4 62,-2.1 64,-0.5 -2,-0.4 22,-0.2 -0.832 80.2 -4.3 -99.0 102.2 13.0 32.4 28.4 30 38 A G - 0 0 1 20,-2.5 63,-0.3 -2,-0.9 -1,-0.2 0.958 59.5-162.1 81.9 84.7 14.8 35.4 27.0 31 39 A S > + 0 0 0 -3,-0.2 3,-2.1 1,-0.2 5,-0.4 0.860 22.4 175.9 -64.7 -37.1 12.6 38.4 26.5 32 40 A G T 3 S- 0 0 0 1,-0.3 28,-0.3 2,-0.2 -1,-0.2 -0.500 75.1 -8.3 66.4-131.1 15.0 40.1 24.1 33 41 A K T 3 S- 0 0 83 205,-0.2 -1,-0.3 -2,-0.2 30,-0.2 0.558 104.1-109.6 -75.0 -6.4 13.4 43.4 22.9 34 42 A G S <> S+ 0 0 0 -3,-2.1 4,-2.9 -4,-0.1 5,-0.2 0.518 76.2 136.1 92.2 7.8 10.3 42.2 24.7 35 43 A H H > S+ 0 0 30 -4,-0.3 4,-0.8 203,-0.2 -3,-0.1 0.897 78.7 33.6 -55.9 -51.0 8.3 41.5 21.5 36 44 A F H > S+ 0 0 0 -5,-0.4 4,-2.2 1,-0.2 3,-0.4 0.853 116.6 60.3 -73.2 -32.2 6.8 38.1 22.5 37 45 A T H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 5,-0.2 0.890 96.7 58.5 -60.0 -42.6 6.7 39.5 26.1 38 46 A L H X S+ 0 0 29 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.856 110.9 42.9 -57.5 -35.6 4.4 42.3 25.2 39 47 A E H X S+ 0 0 23 -4,-0.8 4,-2.7 -3,-0.4 -1,-0.2 0.900 109.3 55.5 -79.3 -41.2 1.8 39.9 23.9 40 48 A L H X S+ 0 0 2 -4,-2.2 4,-4.7 1,-0.2 -2,-0.2 0.921 102.6 55.9 -57.2 -47.8 2.0 37.4 26.7 41 49 A V H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.8 40.9 -54.8 -39.2 1.3 39.9 29.4 42 50 A Q H < S+ 0 0 114 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.901 121.5 43.7 -74.5 -39.0 -1.9 40.8 27.6 43 51 A R H < S+ 0 0 77 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.896 115.3 44.9 -71.6 -43.6 -2.7 37.2 26.9 44 52 A C S < S- 0 0 5 -4,-4.7 -22,-0.2 -5,-0.2 3,-0.1 -0.449 80.0-112.0-106.9 175.6 -1.8 35.7 30.3 45 53 A N S S- 0 0 77 -21,-1.6 2,-0.3 -24,-0.6 -20,-0.2 0.891 94.9 -11.0 -71.7 -43.2 -2.3 36.2 34.0 46 54 A F E -b 25 0B 57 -22,-1.2 -20,-3.4 -6,-0.1 2,-0.5 -0.951 59.6-152.3-161.4 139.2 1.3 37.0 34.9 47 55 A V E -bd 26 70B 0 22,-2.6 24,-1.6 -2,-0.3 2,-0.8 -0.965 2.9-166.3-122.2 124.3 4.7 36.8 33.1 48 56 A T E -bd 27 71B 10 -22,-3.2 -20,-1.5 -2,-0.5 2,-0.4 -0.903 19.5-155.1-106.2 102.7 8.1 36.4 34.7 49 57 A A E -bd 28 72B 0 22,-2.6 24,-2.0 -2,-0.8 2,-0.7 -0.656 5.0-160.8 -81.7 128.9 10.6 37.2 32.1 50 58 A I E +bd 29 73B 4 -22,-2.4 -20,-2.5 -2,-0.4 2,-0.5 -0.885 19.0 167.4-114.3 102.2 14.0 35.6 32.5 51 59 A E - 0 0 0 22,-1.9 24,-0.1 -2,-0.7 6,-0.1 -0.963 25.1-164.3-119.6 127.1 16.7 37.5 30.5 52 60 A I S S+ 0 0 82 -2,-0.5 2,-0.3 22,-0.2 -1,-0.1 0.934 74.3 76.9 -71.1 -49.2 20.4 36.9 31.0 53 61 A D S > S- 0 0 68 1,-0.1 4,-1.1 22,-0.1 -21,-0.1 -0.487 71.2-152.5 -66.7 126.0 21.5 40.1 29.1 54 62 A H H > S+ 0 0 141 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.864 91.2 54.3 -72.2 -36.7 21.0 43.1 31.4 55 63 A K H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 108.0 51.8 -66.0 -33.0 20.5 45.7 28.7 56 64 A L H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.808 101.2 60.2 -71.9 -29.4 17.8 43.6 27.2 57 65 A C H X S+ 0 0 7 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.884 107.3 48.5 -63.3 -34.1 16.0 43.4 30.5 58 66 A K H X S+ 0 0 115 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.960 110.5 47.7 -68.3 -51.7 15.9 47.1 30.3 59 67 A T H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.875 110.1 54.2 -56.0 -40.6 14.5 47.1 26.7 60 68 A T H X S+ 0 0 0 -4,-2.7 4,-2.0 -28,-0.3 -1,-0.2 0.902 110.0 47.8 -60.7 -42.1 11.9 44.5 27.8 61 69 A E H < S+ 0 0 89 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.878 109.5 50.4 -67.8 -39.8 10.9 46.9 30.6 62 70 A N H >< S+ 0 0 98 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.928 111.1 51.9 -63.1 -42.3 10.6 49.9 28.4 63 71 A K H 3< S+ 0 0 86 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.903 110.6 46.9 -59.0 -45.2 8.5 47.8 26.1 64 72 A L T >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -1,-0.3 0.099 74.2 123.9 -89.1 23.9 6.1 46.7 28.9 65 73 A V T < S+ 0 0 108 -3,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.897 70.4 51.0 -49.9 -55.2 5.6 50.2 30.4 66 74 A D T 3 S+ 0 0 145 -3,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.090 105.1 77.9 -75.5 27.7 1.7 50.3 30.2 67 75 A H < - 0 0 48 -3,-1.5 3,-0.1 -2,-0.3 -25,-0.0 -0.956 47.6-179.2-137.8 155.5 1.5 46.9 31.9 68 76 A D + 0 0 150 -2,-0.3 2,-2.4 -27,-0.1 -1,-0.1 0.652 60.5 89.5-125.7 -25.9 1.8 45.5 35.4 69 77 A N S S+ 0 0 45 -28,-0.1 -22,-2.6 -25,-0.1 2,-0.3 -0.186 83.3 65.1 -74.7 52.5 1.4 41.7 35.4 70 78 A F E -d 47 0B 38 -2,-2.4 2,-0.3 -24,-0.2 -22,-0.2 -0.977 54.9-159.3-159.8 168.8 5.1 40.9 34.9 71 79 A Q E -d 48 0B 89 -24,-1.6 -22,-2.6 -2,-0.3 2,-0.6 -0.965 17.3-138.2-151.2 147.3 8.5 41.1 36.4 72 80 A V E -d 49 0B 22 -2,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.861 15.8-167.2-118.7 100.0 11.9 41.0 34.6 73 81 A L E -d 50 0B 37 -24,-2.0 -22,-1.9 -2,-0.6 2,-1.7 -0.727 17.1-144.0 -87.3 124.6 14.6 38.9 36.4 74 82 A N + 0 0 82 -2,-0.5 2,-0.2 -24,-0.2 -22,-0.2 -0.543 57.8 122.7 -86.1 70.1 18.1 39.4 35.1 75 83 A K - 0 0 121 -2,-1.7 2,-0.6 -24,-0.1 3,-0.1 -0.726 68.1 -98.9-126.6 174.4 19.1 35.8 35.6 76 84 A D >> - 0 0 51 -2,-0.2 3,-2.2 1,-0.1 4,-1.0 -0.867 24.8-141.0 -98.7 120.1 20.5 32.8 33.6 77 85 A I G >4 S+ 0 0 11 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.853 102.9 57.9 -46.0 -40.4 17.7 30.3 32.6 78 86 A L G 34 S+ 0 0 45 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.791 112.0 40.1 -64.1 -25.5 20.1 27.5 33.3 79 87 A Q G <4 S+ 0 0 143 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.481 89.7 118.9-101.3 -4.0 20.6 28.6 36.9 80 88 A F << - 0 0 27 -4,-1.0 2,-0.7 -3,-0.7 -3,-0.0 -0.338 55.3-144.6 -68.5 141.9 17.0 29.6 37.5 81 89 A K - 0 0 168 -2,-0.1 29,-0.1 29,-0.0 3,-0.1 -0.924 19.7-154.2-107.8 109.3 15.1 27.8 40.3 82 90 A F - 0 0 8 -2,-0.7 -55,-0.0 27,-0.6 28,-0.0 -0.391 29.5 -85.1 -81.0 160.6 11.4 27.3 39.3 83 91 A P - 0 0 37 0, 0.0 28,-0.4 0, 0.0 3,-0.1 -0.297 29.3-160.6 -62.4 147.5 8.5 27.0 41.7 84 92 A K S S+ 0 0 137 1,-0.1 26,-0.0 26,-0.1 -2,-0.0 0.207 86.2 42.7-115.5 13.1 7.8 23.5 43.0 85 93 A N S S+ 0 0 166 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.002 98.0 82.4-147.0 32.6 4.2 24.1 44.1 86 94 A Q S S- 0 0 76 -3,-0.1 2,-0.7 2,-0.0 25,-0.1 -0.953 71.1-120.3-141.1 155.7 2.7 26.1 41.4 87 95 A S + 0 0 96 -2,-0.3 -62,-0.6 25,-0.1 2,-0.3 -0.878 48.6 150.1 -98.5 117.6 1.0 25.6 38.0 88 96 A Y E -c 25 0B 2 -2,-0.7 25,-1.3 23,-0.2 26,-0.7 -0.978 32.0-145.8-145.5 157.5 2.9 27.5 35.3 89 97 A K E -ce 26 114B 24 -64,-2.5 -62,-1.9 -2,-0.3 2,-0.4 -0.775 16.0-137.2-119.1 165.6 3.6 27.2 31.6 90 98 A I E -ce 27 115B 0 24,-2.6 26,-3.6 -2,-0.3 2,-0.3 -0.959 16.1-179.4-129.9 146.5 6.7 28.2 29.7 91 99 A F E +ce 28 116B 0 -64,-1.9 -62,-2.1 -2,-0.4 2,-0.2 -0.971 11.9 161.2-135.6 151.4 7.4 30.0 26.4 92 100 A G E -ce 29 117B 0 24,-1.4 26,-2.3 -2,-0.3 2,-1.1 -0.795 38.4-153.2-177.2 130.9 10.7 30.8 24.7 93 101 A N - 0 0 2 -64,-0.5 26,-0.1 -63,-0.3 24,-0.1 -0.715 49.8-169.7-100.8 74.8 12.2 31.7 21.3 94 102 A I - 0 0 8 -2,-1.1 5,-0.1 24,-0.5 -64,-0.1 -0.348 22.0-103.0 -82.3 153.3 15.5 30.1 22.4 95 103 A P - 0 0 9 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.254 23.6-130.3 -64.8 149.4 19.1 30.2 20.9 96 104 A Y S > S+ 0 0 114 1,-0.2 3,-2.6 2,-0.2 4,-0.4 0.969 99.3 63.8 -67.4 -56.7 20.5 27.1 19.1 97 105 A N T 3 S+ 0 0 126 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.772 118.2 27.1 -42.2 -35.2 23.8 26.8 20.9 98 106 A I T 3> S+ 0 0 37 -3,-0.2 4,-2.3 1,-0.1 -1,-0.3 0.194 83.9 112.8-117.5 20.0 22.0 26.0 24.2 99 107 A S H <> S+ 0 0 0 -3,-2.6 4,-2.9 1,-0.2 5,-0.3 0.953 81.5 49.4 -53.3 -53.5 18.7 24.5 23.0 100 108 A T H > S+ 0 0 57 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.896 112.9 46.6 -53.6 -45.9 19.6 21.1 24.5 101 109 A D H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.829 115.3 46.0 -68.2 -32.4 20.7 22.6 27.8 102 110 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 -3,-0.2 5,-0.3 0.935 112.7 47.6 -74.0 -49.3 17.6 24.8 28.1 103 111 A I H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.2 5,-0.3 0.901 114.2 48.4 -60.6 -39.8 15.1 22.1 27.1 104 112 A R H X>S+ 0 0 97 -4,-2.0 4,-2.5 -5,-0.3 5,-0.5 0.924 111.7 50.6 -66.3 -42.5 16.7 19.7 29.6 105 113 A K H X5S+ 0 0 27 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.944 115.5 40.1 -59.5 -51.3 16.7 22.3 32.3 106 114 A I H <5S+ 0 0 0 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.726 120.0 44.3 -74.7 -22.4 13.0 23.2 31.9 107 115 A V H <5S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.778 128.1 25.7 -91.0 -30.7 11.8 19.6 31.3 108 116 A F H <5S+ 0 0 84 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.739 128.5 39.4-104.4 -24.9 13.8 18.0 34.1 109 117 A D S < - 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0 0 49 -30,-1.5 2,-0.2 -31,-0.1 3,-0.1 -0.942 47.2 -73.2-145.3 161.2 2.4 13.6 31.4 172 180 A K S S- 0 0 191 -2,-0.3 -30,-0.0 1,-0.1 0, 0.0 -0.445 70.5-101.4 -56.8 121.7 2.6 11.1 34.3 173 181 A S - 0 0 46 -2,-0.2 -32,-0.2 1,-0.2 -1,-0.1 -0.199 26.0-151.9 -50.5 137.3 6.2 10.1 34.0 174 182 A R S S+ 0 0 98 -34,-2.0 2,-0.6 1,-0.1 -1,-0.2 0.568 81.3 66.9 -86.9 -12.7 6.6 6.7 32.3 175 183 A I S S- 0 0 18 -35,-0.5 -1,-0.1 3,-0.0 -2,-0.1 -0.942 84.0-133.4-116.7 114.9 9.8 6.0 34.1 176 184 A S - 0 0 40 -2,-0.6 -2,-0.1 1,-0.1 4,-0.0 -0.120 23.1-115.0 -58.8 158.5 9.7 5.5 37.9 177 185 A H S > S+ 0 0 159 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.875 117.5 59.7 -64.6 -34.1 12.2 7.3 40.0 178 186 A K T > S+ 0 0 178 1,-0.3 3,-0.6 2,-0.1 4,-0.4 0.937 103.1 49.8 -57.3 -48.3 13.6 3.9 40.9 179 187 A D T 3> S+ 0 0 23 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.287 78.8 114.9 -76.4 13.7 14.3 3.1 37.3 180 188 A K H <> S+ 0 0 133 -3,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.920 83.7 31.0 -49.1 -57.4 16.1 6.4 37.0 181 189 A Q H <> S+ 0 0 163 -3,-0.6 4,-2.9 -4,-0.3 5,-0.3 0.931 116.8 54.9 -72.1 -46.9 19.6 4.9 36.4 182 190 A K H > S+ 0 0 72 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.904 111.7 46.5 -52.5 -42.7 18.5 1.7 34.6 183 191 A Y H X S+ 0 0 9 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.895 112.2 50.6 -66.6 -40.7 16.6 3.8 32.1 184 192 A N H X S+ 0 0 85 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.955 113.9 43.3 -61.9 -52.0 19.5 6.2 31.6 185 193 A Y H X S+ 0 0 100 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.940 115.4 50.0 -59.1 -48.5 22.0 3.4 31.0 186 194 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.875 109.2 51.1 -60.7 -39.8 19.6 1.5 28.8 187 195 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.956 114.0 44.4 -64.2 -46.8 18.9 4.6 26.7 188 196 A M H X S+ 0 0 61 -4,-2.5 4,-1.4 1,-0.2 6,-0.2 0.904 114.2 47.8 -65.2 -39.8 22.5 5.3 26.2 189 197 A K H <>S+ 0 0 35 -4,-3.0 5,-1.6 -5,-0.2 -1,-0.2 0.864 114.7 46.9 -67.7 -36.8 23.4 1.7 25.4 190 198 A W H ><5S+ 0 0 14 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.905 107.6 52.2 -73.9 -43.9 20.5 1.3 22.9 191 199 A V H 3<5S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.899 109.3 52.8 -60.0 -37.7 21.0 4.5 20.9 192 200 A N T 3<5S- 0 0 101 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.291 111.6-124.7 -80.6 11.8 24.6 3.5 20.4 193 201 A K T < 5 + 0 0 129 -3,-2.0 2,-3.0 1,-0.2 3,-0.3 0.597 62.8 146.4 54.6 13.7 23.5 0.1 19.1 194 202 A E > < + 0 0 59 -5,-1.6 3,-1.9 1,-0.2 4,-0.4 -0.204 16.3 159.0 -72.8 51.6 25.6 -1.5 21.8 195 203 A Y G >> + 0 0 52 -2,-3.0 3,-2.6 1,-0.3 4,-2.3 0.853 59.9 60.5 -44.8 -51.3 22.9 -4.2 21.9 196 204 A K G 34 S+ 0 0 202 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.733 96.1 62.4 -55.6 -23.4 25.1 -7.0 23.5 197 205 A K G <4 S+ 0 0 120 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.666 120.2 24.6 -76.3 -13.0 25.7 -4.8 26.6 198 206 A I T <4 S+ 0 0 7 -3,-2.6 2,-0.3 -4,-0.4 -2,-0.2 0.544 127.0 33.5-124.4 -17.0 22.0 -4.9 27.3 199 207 A F < - 0 0 6 -4,-2.3 -1,-0.3 35,-0.0 32,-0.0 -0.998 66.3-135.5-144.3 139.6 20.6 -8.0 25.6 200 208 A T > - 0 0 76 -2,-0.3 4,-1.3 -3,-0.1 5,-0.1 -0.164 50.5 -89.6 -74.7-174.2 22.0 -11.5 25.0 201 209 A K H > S+ 0 0 161 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.839 126.9 37.1 -71.8 -29.9 21.3 -12.8 21.5 202 210 A N H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.1 5,-0.3 0.862 110.6 56.9 -89.0 -36.7 18.0 -14.4 22.5 203 211 A Q H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 108.1 53.5 -58.8 -36.4 16.7 -11.8 24.9 204 212 A F H X S+ 0 0 32 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.874 109.1 45.4 -67.0 -41.0 17.1 -9.4 22.1 205 213 A N H X S+ 0 0 65 -4,-0.9 4,-2.5 2,-0.2 5,-0.3 0.972 115.5 45.5 -69.3 -50.7 15.0 -11.4 19.6 206 214 A N H X S+ 0 0 98 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.931 111.8 54.0 -55.6 -46.9 12.2 -12.1 22.0 207 215 A S H X S+ 0 0 1 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.864 111.0 45.1 -57.3 -39.2 12.2 -8.5 23.2 208 216 A L H X>S+ 0 0 22 -4,-1.7 5,-3.1 -3,-0.2 4,-0.6 0.926 116.5 44.2 -71.7 -44.1 11.8 -7.2 19.6 209 217 A K H <5S+ 0 0 149 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.847 113.3 52.6 -67.9 -34.1 9.1 -9.7 18.7 210 218 A H H <5S+ 0 0 141 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.934 113.3 42.6 -66.2 -45.8 7.4 -9.0 22.0 211 219 A A H <5S- 0 0 15 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.545 114.1-121.8 -76.1 -8.8 7.4 -5.3 21.4 212 220 A G T <5 + 0 0 42 -4,-0.6 2,-0.9 1,-0.2 -3,-0.2 0.890 51.2 164.1 68.7 40.8 6.4 -6.0 17.8 213 221 A I < + 0 0 13 -5,-3.1 -1,-0.2 1,-0.2 3,-0.1 -0.814 9.3 159.0 -94.8 102.5 9.4 -4.2 16.2 214 222 A D S S+ 0 0 149 -2,-0.9 2,-0.8 1,-0.3 -1,-0.2 0.928 71.2 45.2 -86.3 -54.0 9.7 -5.3 12.6 215 223 A D > - 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