==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/PRODUCT 01-JUN-12 4FFM . COMPND 2 MOLECULE: PYLC; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR F.QUITTERER,A.LIST,P.BECK,A.BACHER,M.GROLL . 344 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 22.4 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 0 1 1 3 1 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 5 0 1 1 2 1 0 1 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 1 1 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 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 1 A M 0 0 196 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 134.1 8.6 -16.5 14.9 2 2 A K - 0 0 105 22,-0.2 24,-2.2 62,-0.0 2,-0.4 -0.629 360.0-147.1 -97.4 159.1 7.4 -14.5 17.9 3 3 A T E -a 26 0A 20 22,-0.2 62,-2.5 -2,-0.2 63,-0.9 -0.995 8.8-161.9-129.0 132.8 5.1 -11.5 17.8 4 4 A I E -ab 27 66A 1 22,-2.5 24,-2.9 -2,-0.4 2,-0.5 -0.922 8.4-147.7-114.2 138.8 5.3 -8.5 20.3 5 5 A C E -ab 28 67A 0 61,-2.4 63,-3.3 -2,-0.4 2,-0.5 -0.955 13.3-159.4-106.0 122.1 2.5 -5.9 21.0 6 6 A L E -ab 29 68A 0 22,-2.8 24,-2.8 -2,-0.5 2,-0.8 -0.875 8.5-154.7 -98.6 127.4 3.7 -2.4 21.8 7 7 A V E S+ab 30 69A 6 61,-2.4 63,-2.5 -2,-0.5 24,-0.2 -0.857 76.3 36.0 -99.5 96.6 1.4 -0.0 23.7 8 8 A G - 0 0 8 22,-2.3 23,-0.1 -2,-0.8 22,-0.1 0.075 60.5-156.0 125.0 121.8 2.8 3.4 22.5 9 9 A G + 0 0 0 4,-0.1 29,-2.1 20,-0.1 30,-0.2 -0.201 62.9 84.7-122.1 40.9 4.3 4.4 19.2 10 10 A K S > S- 0 0 114 60,-0.4 4,-2.4 27,-0.2 5,-0.1 0.162 102.9 -36.9-106.9-129.0 6.5 7.4 19.9 11 11 A L H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 223,-0.2 0.927 140.1 40.8 -70.9 -47.4 10.2 7.3 21.0 12 12 A Q H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 115.8 53.8 -63.7 -42.1 10.1 4.3 23.4 13 13 A G H > S+ 0 0 0 57,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.893 106.7 51.6 -60.2 -42.1 7.9 2.5 20.8 14 14 A F H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.934 110.3 47.8 -58.7 -48.0 10.4 3.1 18.1 15 15 A E H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.919 113.7 46.9 -60.4 -45.3 13.3 1.7 20.1 16 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.909 113.8 48.0 -65.4 -42.8 11.3 -1.4 21.0 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.939 110.0 53.5 -58.4 -48.6 10.1 -1.9 17.4 18 18 A Y H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.922 114.6 39.2 -54.5 -51.7 13.7 -1.5 16.1 19 19 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.816 110.8 58.8 -71.7 -31.9 15.2 -4.2 18.4 20 20 A S H <>S+ 0 0 0 -4,-2.1 5,-2.6 -5,-0.2 4,-0.3 0.939 108.3 47.1 -60.5 -46.1 12.1 -6.5 18.0 21 21 A K H ><5S+ 0 0 69 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.898 107.6 54.8 -60.3 -45.5 12.9 -6.5 14.2 22 22 A K H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.4 50.9 -53.3 -35.3 16.6 -7.2 14.9 23 23 A A T 3<5S- 0 0 29 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.491 122.1-109.5 -81.4 -5.5 15.4 -10.2 16.9 24 24 A G T < 5S+ 0 0 43 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.700 70.3 142.1 82.0 23.9 13.2 -11.4 14.0 25 25 A M < - 0 0 17 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.652 53.7-118.8 -96.8 152.1 9.8 -10.6 15.7 26 26 A K E -a 3 0A 56 -24,-2.2 -22,-2.5 -2,-0.2 2,-0.6 -0.719 29.7-139.1 -83.8 139.2 6.7 -9.2 14.1 27 27 A V E -a 4 0A 0 -2,-0.3 16,-1.7 -24,-0.2 17,-1.4 -0.904 17.3-172.6-109.5 117.7 5.7 -5.8 15.7 28 28 A V E -ac 5 44A 0 -24,-2.9 -22,-2.8 -2,-0.6 2,-0.4 -0.955 13.9-157.1-104.8 123.3 2.0 -5.1 16.4 29 29 A L E -ac 6 45A 0 15,-3.1 17,-2.7 -2,-0.5 2,-0.4 -0.880 11.6-170.2-105.2 132.6 1.5 -1.4 17.5 30 30 A V E +ac 7 46A 1 -24,-2.8 -22,-2.3 -2,-0.4 2,-0.3 -0.988 21.8 154.1-112.0 126.2 -1.4 -0.1 19.6 31 31 A D E - c 0 47A 27 15,-1.7 17,-0.5 -2,-0.4 5,-0.1 -0.962 43.8-143.1-153.1 139.6 -1.7 3.7 19.9 32 32 A K S S+ 0 0 119 -2,-0.3 17,-0.2 15,-0.2 15,-0.1 0.665 84.9 84.9 -71.6 -22.6 -4.7 6.2 20.5 33 33 A N > - 0 0 80 15,-0.1 3,-1.9 1,-0.1 15,-0.1 -0.764 67.0-156.4 -85.0 113.9 -3.1 8.7 18.0 34 34 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 0.761 100.3 48.7 -62.4 -21.1 -4.1 7.9 14.4 35 35 A Q T 3 S+ 0 0 111 -3,-0.0 -3,-0.1 4,-0.0 -2,-0.0 -0.105 84.6 166.8-101.6 29.8 -1.0 9.8 13.3 36 36 A A X - 0 0 0 -3,-1.9 3,-2.1 -5,-0.1 4,-0.3 -0.210 46.1-116.4 -54.2 135.8 1.2 7.9 15.9 37 37 A L T 3 S+ 0 0 7 1,-0.3 258,-1.5 2,-0.1 3,-0.3 0.798 109.3 32.6 -43.1 -47.2 4.9 8.5 15.1 38 38 A I T >> S+ 0 0 0 -29,-2.1 4,-1.8 1,-0.2 3,-1.1 0.101 77.8 121.6-103.7 22.8 5.9 4.9 14.2 39 39 A R T <4 S+ 0 0 43 -3,-2.1 -1,-0.2 1,-0.3 -10,-0.1 0.851 81.3 43.0 -52.4 -38.0 2.5 3.8 12.6 40 40 A N T 34 S+ 0 0 111 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.601 108.8 58.4 -87.9 -13.3 4.2 2.9 9.3 41 41 A Y T <4 S+ 0 0 23 -3,-1.1 -2,-0.2 254,-0.2 -1,-0.2 0.829 91.9 80.7 -84.4 -38.3 7.3 1.2 10.9 42 42 A A S < S- 0 0 12 -4,-1.8 -14,-0.1 1,-0.1 3,-0.1 -0.236 83.0-128.6 -63.6 158.1 5.2 -1.4 12.8 43 43 A D S S+ 0 0 86 -16,-1.7 2,-0.3 1,-0.3 -15,-0.2 0.784 94.9 17.5 -79.3 -33.5 4.0 -4.5 10.9 44 44 A E E -c 28 0A 52 -17,-1.4 -15,-3.1 2,-0.0 2,-0.4 -0.989 70.0-159.2-138.0 141.1 0.4 -3.9 12.1 45 45 A F E -c 29 0A 63 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.988 6.2-175.0-125.4 121.4 -1.2 -0.8 13.5 46 46 A Y E -c 30 0A 86 -17,-2.7 -15,-1.7 -2,-0.4 2,-0.9 -0.974 15.7-150.2-113.7 114.9 -4.4 -0.8 15.6 47 47 A C E +c 31 0A 65 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.771 46.2 109.4 -93.1 100.7 -5.7 2.7 16.5 48 48 A F - 0 0 14 -2,-0.9 2,-0.6 -17,-0.5 -15,-0.1 -0.973 67.2-107.3-159.4 160.5 -7.5 2.8 19.9 49 49 A D > - 0 0 29 -2,-0.3 4,-2.4 -17,-0.2 3,-0.3 -0.853 23.9-149.8 -92.9 120.0 -7.2 4.0 23.5 50 50 A V T 4 S+ 0 0 5 -2,-0.6 7,-0.2 1,-0.2 -1,-0.1 0.770 96.8 54.4 -65.0 -26.4 -6.5 0.9 25.7 51 51 A I T 4 S+ 0 0 57 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.868 113.6 40.6 -71.9 -40.1 -8.3 2.7 28.6 52 52 A K T 4 S+ 0 0 168 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.821 131.1 25.1 -77.8 -34.5 -11.5 3.3 26.6 53 53 A E >X + 0 0 69 -4,-2.4 3,-0.9 1,-0.1 4,-0.7 -0.487 66.2 157.8-133.3 64.5 -11.5 -0.1 24.8 54 54 A P H >> S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.832 70.0 67.5 -57.0 -37.9 -9.6 -2.7 27.0 55 55 A E H 3> S+ 0 0 107 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.847 95.6 56.5 -53.5 -36.9 -11.4 -5.7 25.4 56 56 A K H <> S+ 0 0 96 -3,-0.9 4,-1.6 2,-0.2 -1,-0.3 0.872 110.1 43.9 -63.6 -38.5 -9.6 -5.0 22.1 57 57 A L H < S+ 0 0 119 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.908 108.2 52.0 -62.8 -42.9 -8.2 -9.9 22.5 60 60 A L H >< S+ 0 0 12 -4,-1.6 3,-2.0 1,-0.2 4,-0.4 0.864 99.3 64.7 -57.4 -38.0 -4.8 -9.0 21.0 61 61 A S H 3< S+ 0 0 2 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.756 94.1 61.1 -59.7 -24.9 -3.1 -10.7 24.0 62 62 A K T << S+ 0 0 133 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.688 111.2 38.7 -73.9 -17.5 -4.6 -14.0 22.8 63 63 A R S < S+ 0 0 116 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.2 0.239 107.0 64.0-123.9 14.8 -2.6 -13.7 19.5 64 64 A V S S- 0 0 11 -3,-0.5 -60,-0.2 -4,-0.4 3,-0.1 -0.892 73.4-128.0-129.4 163.8 0.8 -12.3 20.5 65 65 A D S S+ 0 0 70 -62,-2.5 2,-0.3 -2,-0.3 -61,-0.2 0.728 86.8 1.4 -85.0 -24.3 3.6 -13.6 22.6 66 66 A A E -b 4 0A 0 -63,-0.9 -61,-2.4 23,-0.2 2,-0.5 -0.987 57.0-137.8-159.1 155.4 4.0 -10.5 24.9 67 67 A V E -bd 5 91A 0 23,-2.2 25,-2.3 -2,-0.3 -61,-0.2 -0.991 21.6-167.8-118.2 121.5 2.5 -7.1 25.5 68 68 A L E -b 6 0A 1 -63,-3.3 -61,-2.4 -2,-0.5 2,-0.5 -0.945 14.5-142.8-113.2 112.9 5.1 -4.3 26.2 69 69 A P E +b 7 0A 0 0, 0.0 162,-0.5 0, 0.0 -61,-0.2 -0.641 22.8 175.3 -68.9 122.9 3.9 -1.0 27.6 70 70 A V + 0 0 4 -63,-2.5 -60,-0.4 -2,-0.5 -57,-0.4 -0.536 46.0 80.6-131.0 64.0 6.1 1.7 25.9 71 71 A N - 0 0 28 -59,-0.1 160,-0.1 -2,-0.1 -64,-0.0 -0.956 63.6-141.0-155.7 162.7 4.6 5.0 27.2 72 72 A E + 0 0 95 -2,-0.3 2,-0.9 158,-0.0 3,-0.1 -0.183 53.8 133.1-123.1 34.0 4.7 7.2 30.3 73 73 A N > - 0 0 57 1,-0.2 4,-2.5 2,-0.0 3,-0.4 -0.814 46.3-155.2 -82.1 108.3 1.0 8.1 30.4 74 74 A L H > S+ 0 0 50 -2,-0.9 4,-2.8 1,-0.3 5,-0.3 0.874 91.8 55.2 -58.4 -40.7 0.3 7.5 34.1 75 75 A A H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.898 111.3 45.4 -55.9 -43.2 -3.4 6.9 33.5 76 76 A C H > S+ 0 0 7 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.958 114.7 46.1 -65.0 -52.8 -2.5 4.2 30.9 77 77 A I H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 114.4 47.6 -57.6 -46.7 0.1 2.5 33.1 78 78 A E H X S+ 0 0 119 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.894 113.2 48.5 -66.6 -37.3 -2.1 2.5 36.2 79 79 A F H X S+ 0 0 44 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.917 109.6 51.6 -64.7 -47.4 -5.1 1.2 34.2 80 80 A L H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.2 4,-0.4 0.874 107.6 54.5 -54.4 -40.2 -3.0 -1.6 32.6 81 81 A N H >< S+ 0 0 58 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.921 104.0 55.2 -57.3 -44.4 -1.9 -2.6 36.2 82 82 A S H 3< S+ 0 0 82 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.661 118.7 31.7 -65.6 -21.0 -5.6 -2.9 37.2 83 83 A I T X< S+ 0 0 17 -4,-0.8 3,-1.7 -3,-0.6 4,-0.3 0.189 82.9 112.8-120.2 12.4 -6.4 -5.4 34.4 84 84 A K G X S+ 0 0 71 -3,-1.1 3,-1.1 -4,-0.4 -2,-0.1 0.798 71.5 60.0 -65.5 -27.5 -3.0 -7.2 34.1 85 85 A E G 3 S+ 0 0 144 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.638 96.8 63.5 -71.5 -15.8 -4.3 -10.6 35.4 86 86 A K G < S+ 0 0 146 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.535 79.9 108.3 -86.1 -9.6 -6.8 -10.7 32.5 87 87 A F < - 0 0 22 -3,-1.1 4,-0.1 -4,-0.3 -29,-0.1 -0.437 61.8-147.8 -74.3 142.4 -4.1 -10.9 29.8 88 88 A S S S+ 0 0 68 -30,-0.4 -1,-0.1 -2,-0.2 -3,-0.0 0.299 83.2 37.0 -94.0 9.9 -3.5 -14.1 27.8 89 89 A C S S- 0 0 17 -26,-0.0 -23,-0.2 -22,-0.0 -24,-0.1 -0.935 103.5 -70.4-146.1 165.8 0.3 -13.4 27.5 90 90 A P - 0 0 43 0, 0.0 -23,-2.2 0, 0.0 2,-0.6 -0.283 34.7-140.8 -57.6 145.3 3.1 -11.9 29.7 91 91 A V B -d 67 0A 16 -25,-0.2 2,-1.9 2,-0.1 -23,-0.2 -0.972 16.8-144.6-103.2 113.6 2.9 -8.1 30.3 92 92 A L + 0 0 2 -25,-2.3 2,-0.3 -2,-0.6 118,-0.1 -0.527 61.4 96.6 -85.1 73.9 6.7 -7.1 30.2 93 93 A F - 0 0 17 -2,-1.9 2,-0.6 115,-0.1 -2,-0.1 -0.987 65.1-138.0-159.5 148.0 6.6 -4.4 32.9 94 94 A D > - 0 0 28 -2,-0.3 4,-2.1 135,-0.3 5,-0.1 -0.901 19.6-174.8-113.7 99.8 7.3 -4.0 36.6 95 95 A F H > S+ 0 0 19 -2,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.857 82.2 49.4 -68.2 -36.0 4.4 -1.8 37.9 96 96 A E H > S+ 0 0 112 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.891 110.9 50.1 -69.2 -38.3 5.8 -1.4 41.5 97 97 A A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 132,-0.2 0.889 110.0 51.9 -67.0 -37.7 9.3 -0.4 40.1 98 98 A Y H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.875 101.9 58.9 -63.2 -39.3 7.6 2.2 37.9 99 99 A R H < S+ 0 0 105 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.850 114.7 38.4 -59.8 -34.8 5.6 3.7 40.8 100 100 A I H >< S+ 0 0 21 -4,-1.2 3,-1.0 -3,-0.2 7,-0.5 0.920 116.8 48.9 -77.6 -49.5 9.0 4.4 42.4 101 101 A S H 3< S+ 0 0 1 -4,-2.8 126,-0.3 1,-0.2 -2,-0.2 0.821 103.7 59.0 -68.0 -31.9 11.0 5.4 39.3 102 102 A R T 3< S+ 0 0 106 -4,-2.5 2,-0.8 -5,-0.2 -1,-0.2 0.741 97.2 66.3 -68.0 -23.1 8.5 7.9 37.9 103 103 A D S <> S- 0 0 70 -3,-1.0 4,-2.7 -4,-0.3 3,-0.2 -0.877 70.9-159.7-107.5 106.5 8.6 10.1 41.0 104 104 A K H > S+ 0 0 77 -2,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.816 90.7 48.7 -59.1 -33.8 12.0 11.6 41.3 105 105 A K H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 111.6 49.1 -71.9 -40.5 11.7 12.4 45.1 106 106 A K H > S+ 0 0 77 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.902 109.9 53.2 -64.5 -43.0 10.5 8.8 45.9 107 107 A S H X S+ 0 0 2 -4,-2.7 4,-2.6 -7,-0.5 -2,-0.2 0.906 107.7 50.7 -54.4 -45.9 13.5 7.5 43.8 108 108 A K H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.872 108.9 50.7 -66.2 -35.7 15.9 9.7 45.9 109 109 A D H X S+ 0 0 110 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.903 110.8 50.3 -63.6 -41.8 14.3 8.3 49.1 110 110 A Y H X S+ 0 0 26 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.944 109.6 50.2 -61.0 -47.2 14.9 4.8 47.7 111 111 A F H ><>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 3,-0.8 0.918 112.1 46.9 -55.9 -50.2 18.6 5.6 46.8 112 112 A K H ><5S+ 0 0 110 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.894 103.6 63.2 -60.1 -40.4 19.3 6.8 50.3 113 113 A S H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.768 111.9 36.7 -59.9 -25.8 17.5 3.8 51.9 114 114 A I T <<5S- 0 0 49 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.205 119.7-105.5-112.5 16.1 20.2 1.5 50.3 115 115 A G T < 5 + 0 0 62 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.727 64.7 153.7 73.1 25.5 23.2 3.9 50.7 116 116 A V < - 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