==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-99 1QAM . COMPND 2 MOLECULE: ERMC' METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.SCHLUCKEBIER,P.ZHONG,K.D.STEWART,T.J.KAVANAUGH,C.ABAD- . 235 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 8.5 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 . 26 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 31.1 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 10 A Q 0 0 163 0, 0.0 30,-0.0 0, 0.0 153,-0.0 0.000 360.0 360.0 360.0 170.0 19.9 37.5 18.8 2 11 A N - 0 0 41 153,-0.4 2,-0.2 1,-0.1 155,-0.0 0.996 360.0-172.5 66.5 72.1 17.4 36.8 16.1 3 12 A F B -A 155 0A 43 152,-2.2 152,-0.9 28,-0.0 2,-0.6 -0.556 22.3-134.7 -92.3 156.8 14.4 38.7 17.4 4 13 A I + 0 0 4 -2,-0.2 150,-0.1 150,-0.2 149,-0.1 -0.961 36.6 156.9-115.5 110.2 10.9 38.7 15.9 5 14 A T + 0 0 78 -2,-0.6 2,-0.6 148,-0.5 -1,-0.1 0.512 30.7 107.9-117.8 -6.5 9.6 42.3 15.7 6 15 A S > - 0 0 51 147,-0.4 4,-2.8 1,-0.2 3,-0.4 -0.653 57.2-150.4 -75.4 121.2 6.9 42.5 13.0 7 16 A K H > S+ 0 0 105 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.907 97.6 57.7 -56.2 -42.5 3.6 42.9 14.8 8 17 A H H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.888 111.6 41.3 -55.3 -42.6 1.9 41.1 12.0 9 18 A N H > S+ 0 0 26 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.882 110.4 56.1 -74.4 -40.2 4.2 38.1 12.5 10 19 A I H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.907 107.6 50.6 -57.1 -43.3 4.0 38.2 16.3 11 20 A D H X S+ 0 0 64 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.883 107.2 52.6 -64.6 -39.4 0.2 38.0 16.1 12 21 A K H < S+ 0 0 91 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.880 112.6 45.6 -64.1 -37.0 0.3 35.0 13.8 13 22 A I H >X S+ 0 0 4 -4,-2.0 3,-2.4 1,-0.2 4,-0.7 0.951 109.2 53.5 -70.0 -48.9 2.5 33.2 16.2 14 23 A M H >< S+ 0 0 5 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.766 95.1 73.7 -56.3 -24.1 0.4 34.1 19.3 15 24 A T T 3< S+ 0 0 99 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.747 100.1 42.0 -61.4 -26.5 -2.5 32.6 17.3 16 25 A N T <4 S+ 0 0 39 -3,-2.4 2,-0.8 -4,-0.3 -1,-0.2 0.557 96.5 88.3 -97.0 -11.7 -1.1 29.1 18.1 17 26 A I << - 0 0 1 -4,-0.7 2,-0.9 -3,-0.6 -1,-0.0 -0.792 61.0-164.8 -91.2 112.0 -0.2 29.8 21.7 18 27 A R + 0 0 154 -2,-0.8 2,-0.3 2,-0.0 -1,-0.1 -0.453 31.7 142.7 -99.8 64.4 -3.2 29.1 23.9 19 28 A L - 0 0 5 -2,-0.9 2,-0.2 -5,-0.2 -2,-0.0 -0.721 35.0-147.7 -95.5 149.4 -2.3 30.8 27.1 20 29 A N > - 0 0 71 -2,-0.3 3,-2.1 4,-0.0 24,-0.7 -0.748 27.8 -95.5-122.4 171.5 -5.1 32.5 29.1 21 30 A E T 3 S+ 0 0 129 1,-0.3 22,-0.1 22,-0.3 -1,-0.0 0.649 119.7 51.7 -52.6 -22.8 -5.9 35.4 31.4 22 31 A H T 3 S+ 0 0 134 21,-0.1 2,-0.3 22,-0.1 -1,-0.3 0.507 87.1 103.7 -97.9 -2.8 -5.5 33.2 34.5 23 32 A D < - 0 0 25 -3,-2.1 21,-1.5 19,-0.2 22,-1.2 -0.600 61.2-142.9 -84.5 138.2 -2.0 31.7 33.7 24 33 A N E -b 45 0B 45 62,-0.4 64,-2.4 -2,-0.3 2,-0.4 -0.830 28.2-159.4 -94.4 134.4 1.2 32.8 35.3 25 34 A I E -bc 46 88B 1 20,-3.2 22,-3.5 -2,-0.4 2,-0.5 -0.917 22.3-158.5-124.3 144.5 4.0 32.8 32.8 26 35 A F E -bc 47 89B 12 62,-1.9 64,-1.8 -2,-0.4 2,-0.6 -0.983 18.4-153.7-115.3 122.1 7.8 32.6 32.8 27 36 A E E -bc 48 90B 3 20,-2.2 22,-3.1 -2,-0.5 2,-1.1 -0.878 8.6-141.8-101.0 126.0 9.4 33.9 29.6 28 37 A I E S-bc 49 91B 5 62,-2.3 64,-0.5 -2,-0.6 22,-0.1 -0.731 80.8 -5.0 -86.5 100.5 12.8 32.5 28.7 29 38 A G - 0 0 23 20,-2.5 63,-0.4 -2,-1.1 21,-0.2 0.432 64.0-148.8 85.7 129.3 14.7 35.5 27.3 30 39 A S > - 0 0 5 1,-0.2 3,-3.0 18,-0.1 6,-0.4 0.574 19.0-169.8-106.7 -14.3 12.8 38.7 26.8 31 40 A G T 3 S- 0 0 11 1,-0.3 28,-0.3 2,-0.2 -1,-0.2 -0.364 73.8 -30.2 56.6-135.3 14.6 40.0 23.8 32 41 A K T 3 S- 0 0 90 26,-0.1 -1,-0.3 27,-0.1 30,-0.1 0.170 99.3 -95.2 -97.4 17.5 13.4 43.6 23.3 33 42 A G S <> S+ 0 0 0 -3,-3.0 4,-2.6 29,-0.1 5,-0.2 0.527 82.8 134.6 86.3 8.6 10.1 42.6 24.8 34 43 A H H > S+ 0 0 37 -4,-0.3 4,-0.7 1,-0.2 -3,-0.1 0.872 85.2 30.8 -59.9 -38.5 8.1 42.0 21.7 35 44 A F H > S+ 0 0 9 -5,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.812 114.4 62.9 -86.8 -30.0 6.5 38.7 23.0 36 45 A T H > S+ 0 0 0 -6,-0.4 4,-2.4 1,-0.2 5,-0.2 0.917 100.6 53.3 -58.3 -44.3 6.6 40.0 26.6 37 46 A L H X S+ 0 0 33 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.889 112.1 44.8 -58.4 -41.2 4.2 42.8 25.6 38 47 A E H X S+ 0 0 21 -4,-0.7 4,-1.8 -5,-0.2 3,-0.3 0.903 110.7 53.4 -71.0 -41.1 1.8 40.2 24.2 39 48 A L H X S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 -2,-0.2 0.911 105.4 52.7 -62.2 -43.1 2.1 37.8 27.1 40 49 A V H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 112.2 46.2 -64.7 -27.0 1.2 40.4 29.7 41 50 A Q H < S+ 0 0 122 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.799 120.5 39.1 -82.4 -29.7 -1.9 41.4 27.8 42 51 A R H < S+ 0 0 86 -4,-1.8 -2,-0.2 -5,-0.1 -19,-0.2 0.825 115.9 50.2 -87.1 -36.8 -2.9 37.7 27.3 43 52 A C S < S- 0 0 7 -4,-3.6 -22,-0.3 -5,-0.2 -19,-0.1 -0.532 78.6-114.7-110.2 171.5 -1.9 36.3 30.7 44 53 A N S S- 0 0 81 -21,-1.5 2,-0.3 -24,-0.7 -20,-0.2 0.921 93.6 -11.6 -66.2 -49.9 -2.3 36.9 34.4 45 54 A F E -b 24 0B 56 -22,-1.2 -20,-3.2 -6,-0.1 2,-0.4 -0.982 61.2-151.6-154.9 144.9 1.3 37.6 35.3 46 55 A V E -bd 25 69B 0 22,-1.7 24,-1.6 -2,-0.3 2,-0.7 -0.975 5.6-168.4-127.4 129.1 4.6 37.3 33.4 47 56 A T E -bd 26 70B 7 -22,-3.5 -20,-2.2 -2,-0.4 2,-0.5 -0.933 16.0-160.5-113.8 106.5 8.1 36.8 34.9 48 57 A A E -bd 27 71B 0 22,-2.1 24,-2.6 -2,-0.7 2,-0.7 -0.772 3.3-154.3 -89.9 126.3 10.7 37.4 32.1 49 58 A I E +bd 28 72B 4 -22,-3.1 -20,-2.5 -2,-0.5 2,-0.4 -0.886 23.5 168.0-103.8 112.1 14.1 35.9 32.7 50 59 A E - 0 0 16 22,-2.4 24,-0.2 -2,-0.7 6,-0.1 -0.982 28.7-165.5-132.1 126.8 16.8 37.8 30.8 51 60 A I S S+ 0 0 115 -2,-0.4 2,-0.7 22,-0.2 -1,-0.1 0.846 75.1 76.2 -76.8 -34.7 20.6 37.6 31.2 52 61 A D > - 0 0 71 1,-0.2 4,-1.9 22,-0.1 3,-0.2 -0.687 68.3-155.5 -82.7 115.4 21.4 40.8 29.3 53 62 A H H > S+ 0 0 143 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.822 91.1 56.5 -62.2 -32.9 20.7 43.9 31.5 54 63 A K H > S+ 0 0 148 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 107.5 49.3 -65.0 -41.8 20.2 46.3 28.6 55 64 A L H > S+ 0 0 26 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.910 106.4 56.2 -62.0 -40.6 17.5 44.0 27.2 56 65 A C H X S+ 0 0 8 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.908 110.3 46.5 -56.6 -40.6 15.9 43.9 30.6 57 66 A K H X S+ 0 0 116 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.950 112.8 47.6 -66.4 -50.1 15.7 47.7 30.5 58 67 A T H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.930 112.4 49.3 -56.6 -48.6 14.4 47.8 26.9 59 68 A T H X S+ 0 0 0 -4,-3.3 4,-1.8 -28,-0.3 -1,-0.2 0.926 110.5 52.1 -56.6 -45.8 11.7 45.2 27.7 60 69 A E H < S+ 0 0 74 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.885 109.3 48.8 -58.5 -41.6 10.8 47.2 30.8 61 70 A N H >< S+ 0 0 83 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.907 108.4 53.9 -67.1 -40.1 10.4 50.4 28.7 62 71 A K H 3< S+ 0 0 82 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.853 112.6 43.9 -63.2 -32.8 8.3 48.6 26.2 63 72 A L T >< S+ 0 0 0 -4,-1.8 3,-3.0 1,-0.2 -1,-0.3 0.176 72.8 127.3 -98.0 17.2 5.9 47.5 29.0 64 73 A V T < S+ 0 0 111 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.792 72.9 53.8 -42.1 -38.1 5.8 50.8 30.8 65 74 A D T 3 S+ 0 0 139 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.256 97.9 80.0 -86.0 13.8 2.0 50.7 30.7 66 75 A H < - 0 0 47 -3,-3.0 3,-0.1 1,-0.1 -25,-0.0 -0.934 45.5-179.7-125.2 146.8 1.6 47.3 32.3 67 76 A D + 0 0 152 -2,-0.4 2,-1.8 1,-0.1 -1,-0.1 0.640 64.7 86.4-114.0 -23.1 1.8 46.2 35.9 68 77 A N S S+ 0 0 40 -28,-0.1 -22,-1.7 -25,-0.1 2,-0.3 -0.235 85.5 60.0 -79.4 51.6 1.3 42.4 35.7 69 78 A F E -d 46 0B 37 -2,-1.8 2,-0.3 -24,-0.2 -22,-0.2 -0.970 53.9-159.4-161.5 173.2 5.0 41.6 35.2 70 79 A Q E -d 47 0B 86 -24,-1.6 -22,-2.1 -2,-0.3 2,-0.5 -0.951 15.7-140.8-157.5 146.7 8.6 41.7 36.5 71 80 A V E -d 48 0B 19 -2,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.974 15.0-164.3-118.1 123.5 11.9 41.4 34.7 72 81 A L E -d 49 0B 47 -24,-2.6 -22,-2.4 -2,-0.5 2,-1.8 -0.933 16.6-143.8-111.2 123.1 14.7 39.5 36.4 73 82 A N + 0 0 78 -2,-0.5 2,-0.2 -24,-0.2 -22,-0.2 -0.598 57.4 126.5 -84.8 79.7 18.2 39.9 35.2 74 83 A K - 0 0 122 -2,-1.8 2,-0.7 -24,-0.2 3,-0.1 -0.761 67.8 -99.8-130.4 174.8 19.2 36.2 35.8 75 84 A D >> - 0 0 64 -2,-0.2 3,-2.7 1,-0.2 4,-1.2 -0.886 26.0-147.6 -99.8 110.6 20.7 33.1 34.2 76 85 A I G >4 S+ 0 0 17 -2,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.856 96.8 61.1 -43.8 -43.6 17.8 30.8 33.2 77 86 A L G 34 S+ 0 0 55 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.719 113.0 35.5 -60.1 -21.5 20.1 27.8 33.9 78 87 A Q G <4 S+ 0 0 151 -3,-2.7 -1,-0.2 2,-0.0 -2,-0.2 0.485 91.2 118.2-109.8 -7.0 20.5 28.8 37.5 79 88 A F << - 0 0 33 -4,-1.2 2,-0.7 -3,-0.7 -30,-0.0 -0.273 58.1-139.4 -62.5 144.6 17.0 30.1 38.1 80 89 A K - 0 0 173 29,-0.0 29,-0.1 0, 0.0 3,-0.1 -0.919 17.9-151.9-111.6 107.9 14.9 28.3 40.7 81 90 A F - 0 0 13 -2,-0.7 -55,-0.0 27,-0.5 24,-0.0 -0.320 31.2 -85.1 -73.9 157.5 11.3 27.9 39.6 82 91 A P - 0 0 38 0, 0.0 28,-0.4 0, 0.0 3,-0.2 -0.235 30.5-159.4 -61.1 152.6 8.4 27.7 42.0 83 92 A K S S+ 0 0 160 1,-0.1 -2,-0.0 -3,-0.1 26,-0.0 0.547 85.2 40.4-111.3 -13.0 7.5 24.3 43.5 84 93 A N S S+ 0 0 165 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.395 98.5 87.6-132.3 56.1 3.9 24.8 44.6 85 94 A Q - 0 0 80 -3,-0.2 2,-0.5 2,-0.1 25,-0.1 -0.992 69.6-125.0-155.4 142.6 2.5 26.8 41.8 86 95 A S + 0 0 109 -2,-0.3 -62,-0.4 25,-0.1 2,-0.3 -0.791 48.0 148.1 -89.1 129.4 0.8 26.2 38.5 87 96 A Y - 0 0 4 -2,-0.5 25,-1.9 23,-0.3 26,-0.6 -0.984 32.3-144.7-157.4 161.4 2.6 28.1 35.7 88 97 A K E -ce 25 113B 21 -64,-2.4 -62,-1.9 -2,-0.3 2,-0.3 -0.778 15.4-134.7-124.8 169.1 3.4 27.8 32.0 89 98 A I E -ce 26 114B 0 24,-2.5 26,-3.1 -2,-0.3 2,-0.3 -0.941 15.2-178.3-132.5 149.3 6.4 28.8 29.9 90 99 A F E +ce 27 115B 0 -64,-1.8 -62,-2.3 -2,-0.3 2,-0.3 -0.990 13.1 168.7-139.6 142.3 7.1 30.6 26.6 91 100 A G E -ce 28 116B 0 24,-1.8 26,-2.7 -2,-0.3 2,-1.1 -0.895 34.5-158.1-163.6 129.5 10.5 31.2 25.0 92 101 A N E - e 0 117B 33 -64,-0.5 26,-0.1 -63,-0.4 -61,-0.1 -0.860 47.9-168.5 -99.8 91.1 12.0 32.4 21.8 93 102 A I - 0 0 15 24,-1.1 2,-0.1 -2,-1.1 5,-0.1 -0.571 23.8-108.1 -98.1 152.2 15.3 30.7 22.5 94 103 A P > - 0 0 45 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.440 23.3-133.0 -70.6 138.6 18.9 30.7 21.1 95 104 A Y G > S+ 0 0 116 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.904 100.2 65.1 -59.5 -43.8 20.0 27.6 19.2 96 105 A N G 3 S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.813 116.9 25.8 -51.5 -36.0 23.3 27.4 20.9 97 106 A I G <> S+ 0 0 53 -3,-0.7 4,-2.4 1,-0.1 -1,-0.3 0.133 85.6 112.9-116.8 22.0 21.7 26.7 24.3 98 107 A S H <> S+ 0 0 0 -3,-1.6 4,-2.6 -4,-0.2 5,-0.2 0.939 79.0 50.6 -57.0 -49.5 18.4 25.1 23.3 99 108 A T H > S+ 0 0 61 -4,-0.4 4,-2.0 1,-0.2 5,-0.2 0.905 112.5 45.5 -55.9 -47.2 19.3 21.7 24.7 100 109 A D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 112.5 51.3 -67.2 -37.6 20.3 23.1 28.1 101 110 A I H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.942 111.3 47.1 -65.6 -44.8 17.3 25.4 28.4 102 111 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.4 0.893 112.3 47.7 -67.3 -38.5 14.9 22.5 27.6 103 112 A R H X>S+ 0 0 83 -4,-2.0 4,-2.5 -5,-0.2 5,-0.7 0.919 113.2 52.4 -65.6 -39.2 16.4 20.1 30.1 104 113 A K H X5S+ 0 0 19 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.921 115.3 37.2 -61.5 -47.7 16.4 22.9 32.6 105 114 A I H <5S+ 0 0 0 -4,-2.6 6,-0.4 2,-0.2 4,-0.2 0.765 123.5 41.6 -81.0 -23.5 12.7 23.7 32.2 106 115 A V H <5S+ 0 0 0 -4,-2.2 3,-0.4 -5,-0.2 -3,-0.2 0.927 128.4 27.0 -86.5 -49.1 11.5 20.2 31.7 107 116 A F H <5S+ 0 0 74 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.706 130.4 38.6 -86.7 -21.2 13.6 18.4 34.4 108 117 A D S < - 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0 0 10 -4,-2.8 -1,-0.3 4,-0.0 2,-0.1 -0.998 63.6-135.4-140.9 141.6 20.3 -7.7 26.2 199 208 A T > - 0 0 77 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.438 47.8 -99.1 -79.4 168.1 21.5 -11.2 25.5 200 209 A K H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.885 124.8 47.6 -59.5 -37.0 20.7 -12.2 21.9 201 210 A N H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 112.0 46.6 -70.7 -42.5 17.7 -14.1 23.1 202 211 A Q H > S+ 0 0 43 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.912 110.9 56.1 -64.4 -40.9 16.3 -11.4 25.3 203 212 A F H X S+ 0 0 31 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.951 111.7 40.1 -55.3 -56.4 16.9 -8.9 22.5 204 213 A N H X S+ 0 0 62 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.922 117.2 48.5 -60.2 -48.6 14.8 -10.8 19.9 205 214 A N H X S+ 0 0 98 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.910 111.7 50.9 -59.1 -43.2 12.1 -11.7 22.4 206 215 A S H X S+ 0 0 2 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.905 110.6 48.5 -62.3 -43.6 11.9 -8.1 23.6 207 216 A L H X>S+ 0 0 20 -4,-2.3 5,-2.6 -5,-0.2 4,-0.9 0.944 115.4 42.8 -63.7 -48.6 11.6 -6.8 20.1 208 217 A K H ><5S+ 0 0 152 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.913 113.6 53.5 -64.1 -40.0 8.8 -9.2 19.1 209 218 A H H 3<5S+ 0 0 137 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.840 111.8 44.7 -63.7 -31.8 7.2 -8.6 22.5 210 219 A A H 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.576 113.5-119.4 -87.2 -10.2 7.2 -4.9 21.8 211 220 A G T <<5 + 0 0 45 -4,-0.9 2,-0.8 -3,-0.6 -3,-0.2 0.764 58.7 154.5 78.1 24.9 6.0 -5.4 18.3 212 221 A I < + 0 0 12 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.2 -0.789 11.8 161.0 -90.9 110.3 9.1 -3.8 16.8 213 222 A D S S+ 0 0 160 -2,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.614 71.1 45.4-100.5 -17.7 9.7 -5.1 13.2 214 223 A D > - 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