==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-JUN-10 3NEW . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.R.GOEDKEN,K.M.COMESS,C.SUN,M.ARGIRIADI,Y.JIA,C.M.QUINN,D.L . 334 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 4 1 0 1 0 0 1 0 1 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 5 A R 0 0 164 0, 0.0 89,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 130.6 -24.3 -3.1 7.4 2 6 A P - 0 0 72 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.231 360.0 -88.6 -84.5 177.9 -24.2 -4.7 10.9 3 7 A T - 0 0 105 -2,-0.0 15,-1.8 1,-0.0 16,-0.2 -0.791 45.7-163.0 -96.6 123.3 -26.2 -3.7 13.9 4 8 A F E -A 17 0A 22 -2,-0.6 2,-0.3 13,-0.2 11,-0.1 -0.399 4.9-165.7 -94.7 173.7 -24.6 -1.1 16.0 5 9 A Y E -A 16 0A 40 11,-1.7 11,-1.0 -2,-0.1 2,-0.3 -0.980 11.1-125.2-162.6 166.9 -25.3 -0.1 19.5 6 10 A R E +A 15 0A 136 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.794 26.0 156.8-127.4 146.7 -24.4 2.8 21.9 7 11 A Q E -A 14 0A 63 7,-1.3 7,-3.1 -2,-0.3 2,-0.7 -0.948 38.3-109.7-166.7 154.2 -22.9 3.4 25.3 8 12 A E E -A 13 0A 147 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.770 26.1-172.1 -93.8 117.7 -21.2 6.0 27.5 9 13 A L E > -A 12 0A 21 3,-3.2 3,-1.1 -2,-0.7 2,-0.2 -0.913 60.0 -66.6-115.8 108.7 -17.5 5.4 28.1 10 14 A N T 3 S- 0 0 127 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.379 119.8 -13.1 42.1-112.2 -16.3 7.8 30.7 11 15 A K T 3 S+ 0 0 209 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.935 125.7 76.3 -75.2 -43.6 -16.5 11.2 28.8 12 16 A T E < S-A 9 0A 36 -3,-1.1 -3,-3.2 -4,-0.1 2,-0.4 -0.288 71.9-132.0 -84.8 144.8 -17.1 9.8 25.3 13 17 A I E -A 8 0A 94 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.775 28.4-156.7 -77.9 131.5 -20.2 8.2 23.5 14 18 A W E -A 7 0A 3 -7,-3.1 -7,-1.3 -2,-0.4 2,-0.4 -0.922 16.6-176.7-115.1 132.8 -19.2 4.9 21.8 15 19 A E E +A 6 0A 45 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.752 20.6 157.6-132.0 95.6 -21.1 3.3 18.9 16 20 A V E -A 5 0A 0 -11,-1.0 -11,-1.7 -2,-0.4 -2,-0.0 -0.716 45.6 -95.5-115.6 151.2 -19.6 -0.0 17.9 17 21 A P E > -A 4 0A 3 0, 0.0 3,-1.5 0, 0.0 -13,-0.2 -0.188 42.8-102.5 -66.2 173.1 -21.2 -3.0 16.0 18 22 A E T 3 S+ 0 0 86 -15,-1.8 22,-0.2 1,-0.3 -14,-0.1 0.718 110.5 80.9 -78.3 -18.4 -22.7 -5.8 18.1 19 23 A R T 3 S+ 0 0 59 -16,-0.2 21,-2.1 20,-0.1 2,-0.6 0.664 82.9 69.0 -61.0 -8.4 -19.7 -8.0 17.4 20 24 A Y E < +B 39 0B 0 -3,-1.5 2,-0.3 19,-0.2 3,-0.2 -0.942 67.9 176.0-116.4 119.6 -17.7 -6.2 20.1 21 25 A Q E +B 38 0B 61 17,-1.8 17,-2.8 -2,-0.6 -2,-0.0 -0.811 52.7 28.0-123.8 160.2 -19.0 -6.9 23.6 22 26 A N E - 0 0 117 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.917 69.8-165.8 52.7 51.5 -17.7 -5.9 27.0 23 27 A L E + 0 0 16 -3,-0.2 14,-0.2 14,-0.2 -1,-0.1 -0.441 10.5 178.3 -47.2 135.5 -16.0 -2.7 26.1 24 28 A S E -B 36 0B 51 12,-1.9 12,-3.4 -2,-0.1 -15,-0.0 -0.988 30.3-107.8-142.4 140.2 -13.8 -1.5 28.9 25 29 A P E +B 35 0B 65 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.261 33.1 172.8 -58.6 152.4 -11.5 1.7 29.0 26 30 A V E - 0 0 89 8,-1.9 2,-0.3 1,-0.5 9,-0.2 0.529 58.0 -43.1-125.4 -30.6 -7.7 1.3 28.7 27 31 A G E -B 34 0B 46 7,-0.9 7,-1.9 2,-0.0 -1,-0.5 -0.915 50.1-158.9 177.7 162.1 -6.1 4.8 28.3 28 32 A S E +B 33 0B 92 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.929 19.6 146.8-161.2 149.7 -6.7 8.1 26.4 29 33 A G S S- 0 0 61 3,-1.3 -2,-0.0 -2,-0.3 0, 0.0 -0.371 74.4 -54.5-139.6-139.4 -4.8 11.2 25.2 30 34 A A S S+ 0 0 101 -2,-0.1 22,-0.1 1,-0.1 3,-0.1 0.400 125.1 75.3 -93.4 -6.0 -5.0 13.5 22.2 31 35 A Y S S- 0 0 51 1,-0.3 21,-1.3 20,-0.1 2,-0.3 0.950 113.6-104.0 -51.1 -55.4 -4.6 10.2 20.0 32 36 A G E - C 0 51B 6 19,-0.3 -3,-1.3 2,-0.0 2,-0.4 -0.944 49.2 -51.3 152.6-165.3 -8.3 9.4 20.9 33 37 A S E -BC 28 50B 26 17,-2.5 17,-3.1 -2,-0.3 2,-0.5 -0.876 44.2-154.6-103.2 141.2 -9.8 6.8 23.3 34 38 A V E -BC 27 49B 38 -7,-1.9 -8,-1.9 -2,-0.4 -7,-0.9 -0.962 11.0-173.2-108.3 126.8 -8.9 3.2 23.4 35 39 A C E -BC 25 48B 2 13,-3.2 13,-2.6 -2,-0.5 2,-0.3 -0.885 21.4-129.5-107.9 152.2 -11.2 0.5 24.7 36 40 A A E +BC 24 47B 4 -12,-3.4 -12,-1.9 -2,-0.3 2,-0.3 -0.642 39.7 171.9 -89.1 146.4 -10.6 -3.2 25.3 37 41 A A E - C 0 46B 0 9,-2.1 9,-2.7 -2,-0.3 2,-0.6 -0.989 36.6-115.4-153.4 164.6 -13.1 -5.5 23.8 38 42 A F E -BC 21 45B 74 -17,-2.8 -17,-1.8 -2,-0.3 2,-1.0 -0.871 23.6-151.4 -98.6 124.5 -14.4 -9.1 23.0 39 43 A D E >> -B 20 0B 1 5,-2.6 4,-2.4 -2,-0.6 3,-1.5 -0.745 8.4-170.5-101.6 101.4 -14.7 -9.8 19.4 40 44 A T T 34 S+ 0 0 76 -21,-2.1 -1,-0.2 -2,-1.0 -20,-0.1 0.779 82.1 62.6 -52.9 -37.1 -17.4 -12.5 18.9 41 45 A K T 34 S+ 0 0 156 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.801 122.9 14.7 -60.3 -32.5 -16.6 -13.0 15.2 42 46 A T T <4 S- 0 0 71 -3,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.472 92.3-122.5-125.8 -5.9 -13.1 -14.2 15.9 43 47 A G S < S+ 0 0 45 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.322 70.5 131.1 80.5 -11.7 -12.8 -15.1 19.6 44 48 A L - 0 0 73 -5,-0.4 -5,-2.6 -6,-0.1 2,-0.4 -0.341 61.2-126.5 -79.7 155.5 -10.0 -12.6 19.9 45 49 A R E -C 38 0B 112 -7,-0.2 59,-1.8 59,-0.1 2,-0.3 -0.862 40.9-171.2 -97.5 134.6 -9.6 -9.9 22.4 46 50 A V E -CD 37 103B 0 -9,-2.7 -9,-2.1 -2,-0.4 2,-0.5 -0.754 27.8-125.8-130.5 161.0 -9.1 -6.6 20.7 47 51 A A E -CD 36 102B 15 55,-4.5 55,-3.3 -2,-0.3 2,-0.5 -0.980 23.7-164.0-108.4 132.4 -8.2 -2.9 21.1 48 52 A V E -CD 35 101B 0 -13,-2.6 -13,-3.2 -2,-0.5 2,-0.6 -0.980 1.8-160.7-118.5 119.1 -10.6 -0.4 19.7 49 53 A K E -CD 34 100B 41 51,-3.1 51,-2.5 -2,-0.5 2,-0.8 -0.919 5.1-159.1-108.1 114.7 -9.5 3.2 19.2 50 54 A K E -CD 33 99B 24 -17,-3.1 -17,-2.5 -2,-0.6 49,-0.2 -0.880 28.1-127.5 -85.3 106.7 -12.1 5.8 18.8 51 55 A L E -C 32 0B 12 47,-1.9 2,-0.9 -2,-0.8 -19,-0.3 -0.342 16.0-124.1 -58.4 132.3 -10.3 8.8 17.1 52 56 A S S S- 0 0 53 -21,-1.3 -1,-0.1 1,-0.2 45,-0.1 -0.699 81.0 -23.3 -85.2 112.0 -10.6 12.2 18.8 53 57 A R S > S- 0 0 157 -2,-0.9 3,-1.3 43,-0.1 4,-0.2 0.965 71.8-167.1 62.5 57.0 -12.0 14.9 16.4 54 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.5 0, 0.0 11,-0.2 0.804 79.8 24.9 -51.0 -34.3 -10.9 13.2 13.2 55 59 A F T 3 S+ 0 0 21 41,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.288 73.2 127.3-126.8 47.1 -11.5 16.3 11.0 56 60 A Q S < S- 0 0 124 -3,-1.3 2,-0.2 2,-0.0 -1,-0.1 0.963 84.6 -2.6 -61.8 -49.5 -11.2 19.4 13.2 57 61 A S S > S- 0 0 42 -4,-0.2 4,-1.4 -3,-0.1 5,-0.1 -0.531 82.6 -89.2-126.3-176.0 -8.6 20.9 10.7 58 62 A I H > S+ 0 0 87 2,-0.2 4,-1.7 -2,-0.2 5,-0.1 0.869 126.1 51.1 -64.1 -36.5 -6.7 20.3 7.5 59 63 A I H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.710 111.2 45.2 -80.7 -23.9 -3.9 18.8 9.7 60 64 A H H > S+ 0 0 77 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.796 110.5 53.7 -81.8 -35.7 -6.2 16.4 11.6 61 65 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.916 114.1 43.7 -63.5 -35.1 -8.0 15.3 8.4 62 66 A K H X S+ 0 0 32 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.913 111.8 52.8 -74.3 -45.5 -4.5 14.5 6.9 63 67 A R H X S+ 0 0 47 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.917 111.7 45.7 -52.6 -57.7 -3.4 12.8 10.1 64 68 A T H X S+ 0 0 8 -4,-2.4 4,-2.4 -10,-0.5 5,-0.2 0.912 113.5 48.9 -48.1 -53.9 -6.5 10.6 10.2 65 69 A Y H X S+ 0 0 16 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.912 113.6 48.8 -55.2 -42.7 -6.1 9.7 6.4 66 70 A R H X S+ 0 0 42 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.886 111.4 47.5 -70.2 -39.7 -2.4 8.9 7.0 67 71 A E H X S+ 0 0 17 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.884 111.0 49.3 -72.0 -41.5 -2.9 6.7 9.9 68 72 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.932 113.2 50.5 -59.9 -40.1 -5.8 4.7 8.2 69 73 A R H X S+ 0 0 33 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.921 111.7 46.8 -68.3 -36.1 -3.4 4.3 5.2 70 74 A L H X S+ 0 0 5 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.897 114.1 46.3 -68.9 -45.9 -0.5 3.1 7.4 71 75 A L H < S+ 0 0 9 -4,-2.3 11,-1.0 1,-0.2 3,-0.2 0.932 109.2 54.4 -68.9 -37.8 -2.6 0.7 9.3 72 76 A K H < S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.7 45.3 -63.3 -33.7 -4.3 -0.8 6.3 73 77 A H H < S+ 0 0 37 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.3 0.764 87.4 94.8 -84.0 -32.1 -0.9 -1.5 4.8 74 78 A M < + 0 0 3 -4,-1.7 2,-0.4 -3,-0.2 8,-0.3 -0.515 39.5 160.5 -71.0 112.4 1.0 -3.0 7.7 75 79 A K + 0 0 146 -2,-0.7 2,-0.3 6,-0.1 5,-0.1 -0.781 31.0 104.8-129.1 91.6 0.8 -6.9 7.6 76 80 A H B > S-F 79 0C 21 3,-0.6 3,-1.9 -2,-0.4 56,-0.0 -0.948 71.5-117.8-167.6 141.4 3.6 -8.4 9.6 77 81 A E T 3 S+ 0 0 108 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.754 111.7 49.7 -73.2 -11.8 3.7 -10.1 12.9 78 82 A N T 3 S+ 0 0 7 82,-0.1 83,-2.0 53,-0.1 2,-0.3 0.160 107.3 62.3-102.5 22.2 6.0 -7.5 14.6 79 83 A V B < S-Fg 76 161C 2 -3,-1.9 -3,-0.6 81,-0.3 83,-0.2 -0.973 88.1-110.5-143.3 131.6 3.9 -4.5 13.5 80 84 A I + 0 0 26 81,-2.4 2,-0.3 -2,-0.3 -6,-0.1 -0.208 41.1 177.5 -67.3 151.7 0.3 -3.6 14.4 81 85 A G - 0 0 17 -8,-0.1 2,-0.6 -4,-0.1 22,-0.4 -0.843 33.7 -80.7-146.0 175.7 -2.1 -3.8 11.5 82 86 A L + 0 0 14 -11,-1.0 20,-0.2 -8,-0.3 3,-0.1 -0.753 30.3 174.9 -91.8 112.7 -5.8 -3.4 11.1 83 87 A L S S- 0 0 25 18,-2.0 2,-0.3 -2,-0.6 19,-0.2 0.900 78.8 -15.7 -65.9 -42.6 -8.5 -6.0 12.1 84 88 A D E -E 101 0B 26 17,-1.3 17,-3.7 250,-0.1 2,-0.3 -0.992 50.5-164.3-158.5 155.2 -11.3 -3.6 11.3 85 89 A V E +E 100 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.985 28.3 154.5-141.1 138.6 -12.1 -0.0 10.7 86 90 A F E -E 99 0B 15 13,-2.1 13,-2.5 -2,-0.3 3,-0.1 -0.986 26.1-154.2-157.4 158.9 -15.7 1.2 10.8 87 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 8,-0.0 -0.995 25.6-132.0-133.4 154.2 -18.0 4.2 11.4 88 92 A P S S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -84,-0.1 0.811 81.0 101.9 -62.7 -33.5 -21.7 4.5 12.5 89 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.117 54.6-165.3 -50.0 151.2 -22.3 7.0 9.6 90 94 A R S S+ 0 0 172 1,-0.2 2,-0.3 -89,-0.0 -1,-0.1 0.464 72.2 34.8-124.6 -11.5 -24.1 5.4 6.5 91 95 A S S S- 0 0 36 1,-0.1 4,-0.4 0, 0.0 -1,-0.2 -0.958 85.2-111.9-129.3 161.7 -23.3 8.1 4.0 92 96 A L S > S+ 0 0 55 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.813 114.8 66.0 -50.5 -33.1 -20.3 10.5 3.4 93 97 A E T 3 S+ 0 0 147 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.971 107.3 34.1 -57.5 -57.4 -22.7 13.3 4.5 94 98 A E T 3 S+ 0 0 103 -3,-0.1 2,-0.6 -6,-0.0 -1,-0.2 0.255 86.8 125.3 -86.7 11.5 -23.1 12.1 8.2 95 99 A F < + 0 0 0 -3,-0.7 3,-0.1 -4,-0.4 231,-0.1 -0.647 13.7 131.5 -75.8 107.7 -19.5 10.7 8.6 96 100 A N + 0 0 98 -2,-0.6 2,-0.4 1,-0.2 -41,-0.3 0.317 56.6 61.8-136.1 -1.9 -17.7 12.3 11.6 97 101 A D - 0 0 51 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.999 52.7-169.7-137.9 136.8 -16.2 9.3 13.6 98 102 A V - 0 0 1 -2,-0.4 -47,-1.9 -47,-0.2 2,-0.4 -0.991 5.0-166.0-128.2 129.1 -13.7 6.7 12.7 99 103 A Y E -DE 50 86B 2 -13,-2.5 -13,-2.1 -2,-0.4 2,-0.4 -0.969 3.2-160.3-119.7 136.6 -12.9 3.6 14.8 100 104 A L E -DE 49 85B 10 -51,-2.5 -51,-3.1 -2,-0.4 2,-0.5 -0.925 4.0-157.2-111.4 133.1 -9.9 1.4 14.4 101 105 A V E +DE 48 84B 0 -17,-3.7 -18,-2.0 -2,-0.4 -17,-1.3 -0.928 21.5 158.6-110.6 131.4 -9.7 -2.3 15.7 102 106 A T E -D 47 0B 23 -55,-3.3 -55,-4.5 -2,-0.5 -20,-0.1 -0.955 48.8 -71.2-141.3 163.8 -6.4 -4.0 16.4 103 107 A H E -D 46 0B 70 -22,-0.4 -57,-0.3 -2,-0.3 2,-0.1 -0.337 53.1-119.0 -52.0 129.8 -5.1 -7.0 18.5 104 108 A L + 0 0 49 -59,-1.8 -59,-0.1 1,-0.2 -1,-0.1 -0.386 46.5 153.6 -64.3 146.4 -5.1 -6.2 22.2 105 109 A M - 0 0 32 49,-0.1 -1,-0.2 -59,-0.1 48,-0.1 0.519 16.4-176.3-133.0 -34.8 -1.8 -6.4 23.8 106 110 A G + 0 0 76 48,-0.1 2,-0.2 46,-0.0 -2,-0.1 0.714 50.9 85.6 -3.6 75.7 -1.6 -4.1 26.9 107 111 A A - 0 0 31 42,-0.1 46,-2.6 47,-0.0 2,-0.3 -0.639 59.0-157.5-143.7 145.2 1.9 -4.2 28.2 108 112 A D B -H 152 0C 40 44,-0.3 4,-0.2 -2,-0.2 44,-0.2 -0.751 33.3-103.9-109.3 165.3 4.5 -1.9 26.8 109 113 A L S > S+ 0 0 2 42,-1.9 4,-1.9 39,-1.2 3,-0.2 0.594 120.9 57.1 -78.7 -5.5 8.2 -2.3 26.9 110 114 A N H > S+ 0 0 44 38,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.928 94.2 65.3 -73.9 -57.4 8.6 0.2 29.7 111 115 A N H 4 S+ 0 0 103 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.512 112.3 41.0 -34.9 -6.3 6.1 -1.9 31.9 112 116 A I H >4 S+ 0 0 37 -4,-0.2 3,-2.4 -3,-0.2 -2,-0.2 0.672 98.4 67.1-112.7 -56.5 9.1 -4.4 31.5 113 117 A V H 3< S+ 0 0 16 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.766 98.6 58.9 -34.4 -39.2 12.3 -2.2 31.9 114 118 A K T 3< 0 0 163 -4,-1.8 -1,-0.3 1,-0.1 -3,-0.1 -0.040 360.0 360.0 -86.1 35.4 11.3 -1.7 35.5 115 119 A C < 0 0 118 -3,-2.4 -1,-0.1 -5,-0.1 88,-0.0 -0.760 360.0 360.0-132.6 360.0 11.3 -5.6 36.0 116 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 117 122 A L 0 0 56 0, 0.0 2,-0.2 0, 0.0 86,-0.1 0.000 360.0 360.0 360.0 23.5 16.3 -8.6 31.3 118 123 A T >> - 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