==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUL-09 3A4N . COMPND 2 MOLECULE: L-SERYL-TRNA(SEC) KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR Y.ARAISO,R.ISHITANI,D.SOLL,O.NUREKI . 474 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 0 0 0 3 1 1 1 6 1 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 72 0, 0.0 170,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-148.4 11.7 15.0 5.0 2 3 A D + 0 0 115 1,-0.3 2,-0.4 168,-0.1 169,-0.1 0.403 360.0 86.0-175.4 5.0 11.0 11.7 6.8 3 4 A I + 0 0 22 167,-0.3 96,-1.0 69,-0.1 2,-0.3 -0.987 51.5 174.3-116.5 136.0 7.6 11.4 8.4 4 5 A M E -a 99 0A 0 -2,-0.4 70,-1.7 94,-0.2 2,-0.6 -0.974 28.5-135.4-140.7 150.4 4.7 10.2 6.3 5 6 A L E -ab 100 74A 0 94,-2.4 96,-1.9 -2,-0.3 2,-0.6 -0.904 17.1-161.9-107.9 120.8 1.0 9.2 6.6 6 7 A I E -ab 101 75A 0 68,-3.7 70,-3.5 -2,-0.6 2,-0.7 -0.918 5.7-163.1-105.6 119.6 -0.0 6.0 4.8 7 8 A I E -ab 102 76A 0 94,-2.3 96,-3.0 -2,-0.6 2,-0.2 -0.900 3.5-159.5-106.0 113.9 -3.8 5.8 4.3 8 9 A L E +a 103 0A 0 68,-1.8 2,-0.3 -2,-0.7 70,-0.3 -0.574 12.4 177.5 -87.0 154.9 -5.2 2.4 3.5 9 10 A T E +a 104 0A 0 94,-1.4 96,-2.0 -2,-0.2 2,-0.2 -0.958 21.5 103.1-156.5 139.0 -8.5 1.9 1.8 10 11 A G - 0 0 0 69,-2.0 96,-0.1 -2,-0.3 3,-0.1 -0.726 64.8 -62.1 153.2 156.1 -10.4 -1.2 0.6 11 12 A L > - 0 0 11 94,-0.3 3,-1.8 -2,-0.2 5,-0.3 -0.045 61.4 -88.4 -62.8 154.7 -13.3 -3.5 1.4 12 13 A P T 3 S+ 0 0 20 0, 0.0 104,-0.1 0, 0.0 -1,-0.1 -0.382 117.1 30.3 -54.7 142.6 -13.5 -5.6 4.6 13 14 A G T 3 S+ 0 0 5 102,-0.1 -2,-0.1 -3,-0.1 102,-0.1 0.313 86.8 109.2 88.9 -9.4 -11.8 -9.0 3.9 14 15 A V S < S- 0 0 4 -3,-1.8 92,-0.1 -4,-0.1 -3,-0.1 0.677 95.0-102.0 -77.9 -15.3 -9.4 -7.5 1.3 15 16 A G > + 0 0 13 -4,-0.2 4,-2.3 -5,-0.1 5,-0.2 0.712 68.4 146.8 106.7 25.3 -6.4 -7.9 3.6 16 17 A K H > S+ 0 0 15 -5,-0.3 4,-2.5 1,-0.2 5,-0.1 0.887 74.0 45.9 -61.1 -40.9 -5.7 -4.5 5.0 17 18 A S H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 112.4 49.2 -72.4 -40.3 -4.5 -5.6 8.5 18 19 A T H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 112.9 49.2 -60.4 -46.0 -2.2 -8.4 7.2 19 20 A F H X S+ 0 0 8 -4,-2.3 4,-3.0 1,-0.2 3,-0.2 0.931 108.8 53.3 -54.6 -53.5 -0.8 -5.8 4.7 20 21 A S H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.841 109.6 47.7 -45.9 -48.1 -0.3 -3.3 7.6 21 22 A K H X S+ 0 0 144 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.833 113.8 46.8 -67.7 -34.1 1.7 -5.7 9.7 22 23 A N H X S+ 0 0 70 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.957 116.2 45.2 -73.2 -48.4 3.9 -6.7 6.7 23 24 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.937 111.6 51.0 -54.3 -57.0 4.5 -3.1 5.7 24 25 A A H X S+ 0 0 3 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.900 111.1 50.3 -51.7 -45.1 5.2 -2.0 9.3 25 26 A K H X S+ 0 0 140 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.970 112.1 44.9 -60.4 -52.5 7.7 -4.8 9.7 26 27 A I H X S+ 0 0 18 -4,-2.6 4,-1.3 1,-0.3 -2,-0.2 0.914 114.8 49.8 -62.7 -38.5 9.6 -4.0 6.5 27 28 A L H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 -1,-0.3 0.851 112.8 45.9 -61.1 -37.8 9.5 -0.3 7.4 28 29 A S H ><5S+ 0 0 20 -4,-2.2 3,-2.0 -5,-0.3 -2,-0.2 0.847 104.3 61.6 -78.7 -31.0 10.8 -1.0 10.9 29 30 A K H 3<5S+ 0 0 177 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.851 103.8 52.4 -58.1 -33.6 13.4 -3.3 9.4 30 31 A N T 3<5S- 0 0 83 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.057 127.8-100.6 -85.6 21.3 14.6 -0.1 7.6 31 32 A N T < 5S+ 0 0 125 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.770 74.8 146.6 60.3 29.9 14.8 1.9 10.9 32 33 A I < - 0 0 22 -5,-2.3 2,-0.8 -8,-0.1 -1,-0.2 -0.857 47.0-137.6 -99.2 126.5 11.5 3.6 10.3 33 34 A D + 0 0 31 -2,-0.5 40,-2.8 38,-0.1 2,-0.3 -0.763 40.8 161.9 -80.5 111.5 9.4 4.4 13.4 34 35 A V E -c 73 0A 0 -2,-0.8 2,-0.4 38,-0.2 40,-0.2 -0.968 25.5-163.4-138.7 148.8 5.9 3.5 12.4 35 36 A I E -c 74 0A 0 38,-1.8 40,-2.7 -2,-0.3 2,-0.6 -0.976 15.7-138.4-131.9 141.6 2.6 2.8 14.1 36 37 A V E +c 75 0A 26 250,-2.2 2,-0.4 -2,-0.4 40,-0.2 -0.928 28.9 174.2-103.1 120.9 -0.6 1.1 12.8 37 38 A L E +c 76 0A 2 38,-2.3 40,-2.5 -2,-0.6 2,-0.3 -0.960 5.9 157.1-125.8 142.4 -3.8 2.8 13.9 38 39 A G > - 0 0 11 -2,-0.4 3,-2.0 38,-0.2 4,-0.5 -0.975 52.5-101.3-156.6 162.3 -7.3 2.1 12.9 39 40 A S T 3> S+ 0 0 14 -2,-0.3 4,-2.8 1,-0.3 3,-0.4 0.705 110.2 71.3 -60.2 -20.2 -10.7 2.6 14.3 40 41 A D H 3> S+ 0 0 79 37,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.725 84.5 69.2 -71.8 -16.3 -11.1 -1.0 15.5 41 42 A L H <4 S+ 0 0 46 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.967 114.0 27.1 -63.7 -48.4 -8.6 -0.4 18.2 42 43 A I H >4 S+ 0 0 1 -4,-0.5 3,-1.5 -3,-0.4 4,-0.4 0.890 119.1 56.5 -80.1 -43.9 -11.0 1.9 20.0 43 44 A R H >< S+ 0 0 36 -4,-2.8 3,-1.0 1,-0.3 -3,-0.2 0.862 108.0 49.1 -58.7 -36.4 -14.3 0.3 18.7 44 45 A E T 3< S+ 0 0 144 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.459 91.5 78.0 -89.5 2.2 -13.4 -3.1 20.0 45 46 A S T < S+ 0 0 11 -3,-1.5 232,-2.5 -4,-0.1 -1,-0.2 0.589 81.9 81.0 -81.4 -14.6 -12.5 -1.8 23.4 46 47 A F S < S- 0 0 12 -3,-1.0 230,-0.2 -4,-0.4 228,-0.0 -0.661 82.3-135.0 -82.9 151.2 -16.2 -1.6 24.2 47 48 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.792 89.4 22.2 -73.7 -27.3 -17.9 -4.8 25.3 48 49 A V S S- 0 0 52 227,-0.3 2,-0.4 217,-0.0 227,-0.1 -0.902 79.9-116.9-129.5 159.9 -20.8 -4.0 22.9 49 50 A W + 0 0 43 -2,-0.3 2,-0.3 -5,-0.0 3,-0.0 -0.814 34.3 168.4 -90.3 143.5 -21.4 -1.9 19.8 50 51 A K >> - 0 0 49 -2,-0.4 3,-2.2 1,-0.1 4,-0.6 -0.966 43.2-119.3-149.5 142.7 -23.9 1.0 20.0 51 52 A E G >4 S+ 0 0 24 -2,-0.3 3,-0.7 1,-0.3 4,-0.3 0.775 110.1 60.4 -47.5 -32.8 -24.5 3.7 17.4 52 53 A K G >4 S+ 0 0 126 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.692 92.2 64.6 -78.1 -17.4 -23.6 6.4 19.9 53 54 A Y G X> S+ 0 0 1 -3,-2.2 4,-1.8 1,-0.2 3,-1.0 0.850 84.5 80.1 -68.3 -28.5 -20.0 5.1 20.6 54 55 A E H S+ 0 0 115 -3,-0.5 4,-2.5 -4,-0.3 -1,-0.3 0.920 111.5 42.7 -65.0 -45.2 -18.5 9.6 17.4 56 57 A F H <> S+ 0 0 5 -3,-1.0 4,-2.3 -4,-0.5 -2,-0.2 0.797 114.3 52.2 -73.2 -29.2 -16.0 9.0 20.2 57 58 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.946 111.3 46.9 -69.0 -50.2 -14.4 6.2 18.1 58 59 A K H X S+ 0 0 109 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.977 117.3 42.1 -51.1 -60.8 -14.0 8.4 15.1 59 60 A K H X S+ 0 0 80 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.838 112.8 52.5 -60.6 -40.7 -12.6 11.3 17.1 60 61 A S H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.904 108.1 52.2 -62.6 -43.5 -10.3 9.2 19.3 61 62 A T H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.959 111.7 45.6 -57.0 -54.6 -8.8 7.5 16.2 62 63 A Y H X S+ 0 0 48 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.853 111.2 54.4 -55.6 -38.5 -8.0 10.9 14.6 63 64 A R H X S+ 0 0 117 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.922 110.0 46.2 -64.2 -42.1 -6.6 12.1 17.9 64 65 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.892 115.9 45.3 -65.9 -41.2 -4.2 9.2 18.0 65 66 A I H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 -2,-0.2 0.939 111.8 50.8 -68.4 -51.8 -3.2 9.7 14.4 66 67 A D H X S+ 0 0 32 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.945 117.1 41.3 -47.1 -55.1 -2.8 13.4 14.7 67 68 A S H >< S+ 0 0 17 -4,-2.1 3,-0.7 -5,-0.2 4,-0.5 0.848 115.8 48.0 -68.2 -39.9 -0.6 13.0 17.7 68 69 A A H >X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-2.4 0.934 101.1 67.7 -64.1 -41.3 1.3 10.0 16.4 69 70 A L H 3< S+ 0 0 0 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.671 90.4 62.2 -63.6 -15.9 2.0 11.7 13.1 70 71 A K T << S+ 0 0 100 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.812 121.5 21.1 -73.7 -23.9 4.2 14.3 14.8 71 72 A N T <4 S+ 0 0 80 -3,-2.4 2,-0.3 -4,-0.5 -2,-0.2 0.723 124.7 30.2-110.9 -30.6 6.6 11.6 15.8 72 73 A Y S < S- 0 0 18 -4,-3.0 -38,-0.2 -5,-0.1 2,-0.2 -0.863 75.0 -99.1-136.6 159.4 6.0 8.7 13.5 73 74 A W E - c 0 34A 6 -40,-2.8 -38,-1.8 -2,-0.3 2,-0.4 -0.533 45.7-152.9 -63.5 145.7 5.0 7.3 10.2 74 75 A V E -bc 5 35A 0 -70,-1.7 -68,-3.7 -40,-0.2 2,-0.6 -0.997 14.6-160.1-129.9 130.2 1.4 6.1 10.6 75 76 A I E -bc 6 36A 0 -40,-2.7 -38,-2.3 -2,-0.4 2,-0.9 -0.960 17.2-147.1-101.9 120.3 -0.4 3.4 8.6 76 77 A V E -bc 7 37A 0 -70,-3.5 -68,-1.8 -2,-0.6 2,-1.2 -0.789 9.5-164.8 -91.6 111.2 -4.1 3.9 8.9 77 78 A D + 0 0 34 -40,-2.5 -37,-0.3 -2,-0.9 2,-0.3 -0.615 41.9 116.5 -97.8 73.1 -5.8 0.5 8.8 78 79 A D S S- 0 0 23 -2,-1.2 -68,-0.1 -70,-0.3 -2,-0.1 -0.918 74.4-114.0-129.3 160.2 -9.4 1.3 8.1 79 80 A T - 0 0 43 -2,-0.3 -69,-2.0 -70,-0.2 -1,-0.1 0.932 36.8-168.2 -47.1 -51.6 -11.9 0.6 5.4 80 81 A N + 0 0 9 -71,-0.2 6,-0.2 1,-0.1 -69,-0.1 0.915 15.2 171.3 48.5 49.4 -12.0 4.3 4.6 81 82 A Y + 0 0 17 -71,-0.1 2,-0.3 4,-0.1 55,-0.3 0.820 53.3 59.3 -53.1 -41.5 -15.0 3.6 2.4 82 83 A Y S >> S- 0 0 20 1,-0.1 4,-1.4 53,-0.1 3,-1.2 -0.744 77.3-133.2-100.1 142.2 -15.8 7.3 1.8 83 84 A N H 3> S+ 0 0 46 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.774 107.1 64.2 -62.1 -24.8 -13.7 9.9 0.2 84 85 A S H 3> S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.823 100.1 51.4 -68.0 -27.9 -14.6 12.3 3.0 85 86 A M H <> S+ 0 0 33 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.897 110.7 48.7 -71.0 -39.2 -12.8 9.9 5.5 86 87 A R H X S+ 0 0 6 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.861 109.9 52.3 -66.5 -36.5 -9.8 10.0 3.2 87 88 A R H X S+ 0 0 94 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.927 106.7 52.9 -61.2 -49.3 -10.1 13.8 3.1 88 89 A D H X S+ 0 0 45 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.916 111.4 45.5 -51.1 -48.9 -10.1 13.9 7.0 89 90 A L H >X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 3,-0.8 0.935 111.5 52.9 -66.5 -41.1 -6.9 11.8 7.2 90 91 A I H 3X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.3 -2,-0.2 0.926 104.2 55.5 -59.8 -45.7 -5.3 14.0 4.5 91 92 A N H 3X S+ 0 0 64 -4,-2.9 4,-2.0 1,-0.2 -1,-0.3 0.763 101.8 58.9 -57.8 -25.9 -6.0 17.2 6.4 92 93 A I H X>S+ 0 0 0 -4,-1.5 5,-2.5 1,-0.2 4,-0.6 0.891 112.4 54.1 -55.7 -46.9 -1.1 15.4 7.1 94 95 A K H ><5S+ 0 0 102 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.894 99.9 61.9 -55.6 -42.2 -1.7 18.9 5.8 95 96 A K H 3<5S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.854 117.6 27.5 -56.5 -39.8 -1.9 20.3 9.3 96 97 A Y H <<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.260 111.2-114.7-105.7 7.9 1.7 19.3 10.0 97 98 A N T <<5 + 0 0 98 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.2 0.814 61.7 153.8 61.6 34.0 3.0 19.4 6.4 98 99 A K < - 0 0 53 -5,-2.5 -1,-0.2 -6,-0.2 -94,-0.2 -0.633 44.6-114.9 -89.8 149.2 3.6 15.6 6.2 99 100 A N E -a 4 0A 7 -96,-1.0 -94,-2.4 71,-0.3 2,-0.3 -0.308 34.4-163.1 -71.6 166.0 3.6 13.7 3.0 100 101 A Y E -a 5 0A 27 -96,-0.2 2,-0.3 69,-0.1 -94,-0.2 -0.992 16.8-162.0-149.2 160.3 1.0 11.0 2.4 101 102 A A E -a 6 0A 2 -96,-1.9 -94,-2.3 -2,-0.3 2,-0.6 -0.947 12.9-148.2-142.3 119.7 0.1 8.1 0.2 102 103 A I E -a 7 0A 1 44,-0.4 46,-2.2 -2,-0.3 47,-1.2 -0.766 17.2-161.7 -81.8 124.0 -3.3 6.5 -0.3 103 104 A I E -ad 8 149A 0 -96,-3.0 -94,-1.4 -2,-0.6 2,-0.7 -0.943 2.2-156.7-115.0 116.6 -2.8 2.8 -0.9 104 105 A Y E -ad 9 150A 14 45,-2.7 47,-2.9 -2,-0.6 2,-0.4 -0.827 5.8-166.1 -99.9 111.4 -5.8 1.1 -2.4 105 106 A L E + d 0 151A 1 -96,-2.0 2,-0.3 -2,-0.7 -94,-0.3 -0.758 14.5 179.8 -95.2 136.1 -6.1 -2.7 -1.9 106 107 A K E + d 0 152A 76 45,-2.2 47,-2.2 -2,-0.4 48,-0.3 -0.957 13.5 168.5-139.6 163.1 -8.5 -4.7 -4.1 107 108 A A - 0 0 12 -2,-0.3 2,-0.1 45,-0.2 -96,-0.1 -0.961 43.5 -79.7-161.1 166.5 -9.9 -8.1 -4.7 108 109 A S >> - 0 0 52 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.469 40.5-117.7 -77.3 148.5 -12.7 -9.9 -6.5 109 110 A L H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.844 117.0 58.6 -52.4 -32.9 -16.1 -9.9 -4.8 110 111 A D H 3> S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.880 106.3 46.4 -66.1 -39.5 -15.7 -13.7 -4.8 111 112 A V H <> S+ 0 0 43 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.928 110.5 51.6 -67.7 -46.6 -12.5 -13.5 -2.7 112 113 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 109.2 53.6 -54.8 -44.8 -13.9 -11.0 -0.3 113 114 A I H X S+ 0 0 29 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.916 109.0 43.9 -57.3 -51.3 -16.9 -13.2 0.3 114 115 A R H X S+ 0 0 137 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.852 110.0 58.0 -69.6 -32.2 -15.0 -16.4 1.2 115 116 A R H X S+ 0 0 98 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.918 107.6 47.0 -55.8 -45.9 -12.7 -14.4 3.4 116 117 A N H >X>S+ 0 0 10 -4,-2.0 5,-2.6 2,-0.2 3,-0.8 0.954 111.0 51.4 -61.4 -52.0 -15.8 -13.3 5.3 117 118 A I H ><5S+ 0 0 95 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.879 109.7 50.0 -46.4 -45.7 -17.0 -16.9 5.5 118 119 A E H 3<5S+ 0 0 136 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.724 106.8 57.2 -68.8 -22.2 -13.6 -17.8 6.8 119 120 A R H <<5S- 0 0 105 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.515 126.5 -97.7 -89.8 -4.7 -13.9 -15.1 9.4 120 121 A G T <<5 - 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