==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-APR-12 4EH8 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.OVER,C.GRUETTER,H.WALDMANN,D.RAUH . 336 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 63.1 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 . 43 12.8 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 . 2 0.6 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 28.9 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 0 0 1 1 0 1 1 0 1 1 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 . 1 1 2 0 2 1 0 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 . 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 4 A E 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 28.9 -25.2 5.7 -4.6 2 5 A R - 0 0 83 1,-0.1 2,-0.1 88,-0.0 88,-0.0 -0.431 360.0-125.8 -71.8 138.5 -24.6 3.4 -7.6 3 6 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.361 33.4 -93.5 -76.9 167.9 -24.0 4.9 -11.0 4 7 A T - 0 0 116 -2,-0.1 15,-3.3 1,-0.0 16,-0.2 -0.729 43.8-155.7 -86.7 123.0 -26.1 4.0 -14.0 5 8 A F E -A 18 0A 55 -2,-0.6 2,-0.3 13,-0.3 11,-0.1 -0.516 5.8-160.2 -92.1 162.4 -24.5 1.2 -16.0 6 9 A Y E -A 17 0A 56 11,-1.7 11,-1.6 -2,-0.2 2,-0.3 -0.997 9.9-133.8-144.0 146.5 -25.0 0.4 -19.6 7 10 A R E +A 16 0A 160 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.668 28.8 152.6 -99.0 150.2 -24.4 -2.7 -21.7 8 11 A Q E -A 15 0A 65 7,-1.3 7,-1.4 -2,-0.3 2,-0.5 -0.944 36.3-121.3-164.4 160.5 -22.7 -3.3 -25.1 9 12 A E E -A 14 0A 145 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.919 20.8-172.2-107.8 122.6 -20.8 -5.9 -27.0 10 13 A L E > -A 13 0A 34 3,-2.0 3,-1.0 -2,-0.5 2,-0.5 -0.904 55.6 -75.7-117.9 105.0 -17.3 -5.2 -28.3 11 14 A N T 3 S+ 0 0 99 -2,-0.6 -1,-0.0 1,-0.3 -2,-0.0 -0.291 125.3 20.8 45.1 -96.5 -15.9 -7.9 -30.6 12 15 A K T 3 S+ 0 0 78 -2,-0.5 -1,-0.3 -3,-0.1 2,-0.1 0.976 125.4 10.4 -54.8 -67.5 -15.0 -10.6 -28.0 13 16 A T E < S-A 10 0A 41 -3,-1.0 -3,-2.0 1,-0.2 2,-0.2 -0.273 71.9 -93.8-115.9 179.7 -17.1 -9.8 -25.0 14 17 A I E -A 9 0A 77 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.447 34.8-153.1 -80.6 169.8 -20.0 -7.8 -23.3 15 18 A W E -A 8 0A 3 -7,-1.4 -7,-1.3 -2,-0.2 2,-0.5 -0.949 11.7-173.3-149.6 128.1 -19.1 -4.6 -21.4 16 19 A E E +A 7 0A 43 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.883 22.6 157.8-129.9 103.8 -21.0 -3.1 -18.6 17 20 A V E -A 6 0A 0 -11,-1.6 -11,-1.7 -2,-0.5 -2,-0.1 -0.892 46.7 -91.6-131.6 147.9 -19.8 0.3 -17.5 18 21 A P E > -A 5 0A 5 0, 0.0 3,-2.3 0, 0.0 -13,-0.3 -0.276 42.3-114.3 -55.6 144.4 -21.1 3.4 -15.6 19 22 A E T 3 S+ 0 0 41 -15,-3.3 21,-0.1 1,-0.3 -14,-0.1 0.804 108.3 82.9 -56.1 -30.9 -22.6 6.0 -18.0 20 23 A R T 3 S+ 0 0 61 -16,-0.2 20,-3.0 19,-0.1 2,-0.5 0.709 83.2 68.6 -40.5 -29.3 -19.7 8.3 -17.0 21 24 A Y E < S+B 39 0B 0 -3,-2.3 2,-0.3 18,-0.2 18,-0.2 -0.888 72.9 179.3-104.3 130.5 -17.6 6.5 -19.6 22 25 A Q E +B 38 0B 70 16,-3.0 16,-3.0 -2,-0.5 -2,-0.0 -0.822 46.7 23.1-131.4 159.0 -18.5 7.0 -23.2 23 26 A N E S- 0 0 131 -2,-0.3 -1,-0.2 14,-0.2 13,-0.1 0.850 71.2-164.9 56.4 41.5 -17.5 6.2 -26.7 24 27 A L E + 0 0 13 -3,-0.2 13,-0.2 13,-0.1 -1,-0.2 -0.356 12.8 173.7 -60.1 136.8 -15.7 2.9 -25.8 25 28 A S E -B 36 0B 63 11,-1.8 11,-3.5 -2,-0.1 -15,-0.0 -0.979 32.8-103.1-151.1 130.8 -13.5 1.6 -28.6 26 29 A P E +B 35 0B 73 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.157 27.2 178.6 -59.0 143.5 -11.1 -1.4 -28.5 27 30 A V E - 0 0 86 7,-2.7 2,-0.2 1,-0.4 8,-0.2 0.429 57.3 -81.0-117.7 -7.4 -7.3 -1.0 -28.2 28 31 A G E B 34 0B 40 6,-0.9 6,-1.5 0, 0.0 -1,-0.4 -0.804 360.0 360.0 141.6-178.2 -6.3 -4.7 -28.2 29 32 A S 0 0 147 -2,-0.2 4,-0.1 4,-0.2 5,-0.0 -0.273 360.0 360.0-128.7 360.0 -5.9 -7.9 -26.2 30 ! 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 31 35 A Y 0 0 97 0, 0.0 21,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -42.3 -5.1 -11.3 -19.1 32 36 A G E - C 0 51B 17 19,-0.2 2,-0.4 133,-0.1 19,-0.2 -0.901 360.0-102.0 156.2 177.9 -7.8 -8.9 -20.3 33 37 A S E - C 0 50B 24 17,-1.9 17,-2.9 -2,-0.3 2,-0.4 -1.000 27.5-147.9-138.5 139.6 -9.0 -6.5 -23.0 34 38 A V E -BC 28 49B 40 -6,-1.5 -7,-2.7 -2,-0.4 -6,-0.9 -0.844 6.9-164.4-115.6 137.0 -8.8 -2.7 -23.0 35 39 A C E -BC 26 48B 2 13,-3.1 13,-2.7 -2,-0.4 2,-0.4 -0.963 22.3-128.1-117.2 139.6 -11.0 -0.0 -24.5 36 40 A A E +BC 25 47B 20 -11,-3.5 -11,-1.8 -2,-0.4 2,-0.3 -0.699 41.7 173.8 -74.2 126.9 -10.3 3.6 -25.1 37 41 A A E - C 0 46B 4 9,-2.9 9,-2.2 -2,-0.4 2,-0.5 -0.859 33.8-120.2-127.7 168.6 -13.1 5.6 -23.5 38 42 A F E -BC 22 45B 82 -16,-3.0 -16,-3.0 -2,-0.3 2,-0.7 -0.953 24.6-145.1-106.9 135.8 -14.0 9.2 -22.9 39 43 A D E >>> -BC 21 44B 0 5,-2.1 4,-3.2 -2,-0.5 3,-1.1 -0.870 8.1-164.6-108.4 110.8 -14.5 10.0 -19.2 40 44 A T T 345S+ 0 0 83 -20,-3.0 -1,-0.1 -2,-0.7 -19,-0.1 0.744 84.5 62.4 -70.3 -24.4 -17.2 12.6 -18.7 41 45 A K T 345S+ 0 0 132 -21,-0.3 -1,-0.3 1,-0.1 -20,-0.1 0.789 125.2 13.7 -70.7 -25.7 -16.2 13.4 -15.1 42 46 A T T <45S- 0 0 56 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.1 0.590 90.4-126.4-125.2 -21.6 -12.8 14.7 -16.2 43 47 A G T <5 + 0 0 42 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.539 67.6 130.2 81.7 6.5 -12.8 15.2 -20.0 44 48 A L E < -C 39 0B 84 -5,-0.5 -5,-2.1 1,-0.0 -1,-0.3 -0.646 65.6-115.6 -92.7 147.1 -9.7 13.0 -20.3 45 49 A R E -C 38 0B 190 -2,-0.3 59,-1.4 -7,-0.2 2,-0.3 -0.644 45.4-178.6 -70.3 138.3 -9.3 10.0 -22.6 46 50 A V E -CD 37 103B 0 -9,-2.2 -9,-2.9 -2,-0.3 2,-0.5 -0.909 27.1-123.9-137.0 162.7 -8.9 6.9 -20.4 47 51 A A E -CD 36 102B 11 55,-3.7 55,-2.2 -2,-0.3 2,-0.6 -0.964 18.0-161.6-113.0 129.4 -8.4 3.2 -20.8 48 52 A V E -CD 35 101B 0 -13,-2.7 -13,-3.1 -2,-0.5 2,-0.5 -0.953 7.8-161.0-109.6 119.2 -10.9 0.7 -19.3 49 53 A K E -CD 34 100B 28 51,-3.1 51,-2.7 -2,-0.6 2,-0.5 -0.951 4.2-155.5-103.0 121.8 -9.5 -2.8 -18.9 50 54 A K E -CD 33 99B 27 -17,-2.9 -17,-1.9 -2,-0.5 49,-0.2 -0.853 22.6-128.7 -90.7 122.7 -12.0 -5.7 -18.5 51 55 A L E -C 32 0B 9 47,-2.8 2,-0.8 -2,-0.5 47,-0.3 -0.477 17.6-122.6 -76.0 141.6 -10.4 -8.6 -16.7 52 56 A S S S- 0 0 60 -21,-0.8 4,-0.2 1,-0.2 -1,-0.1 -0.777 80.2 -30.8 -89.2 112.4 -10.7 -11.9 -18.4 53 57 A R S > S- 0 0 172 -2,-0.8 3,-1.6 1,-0.1 4,-0.3 0.921 72.5-166.9 49.7 63.0 -12.4 -14.4 -16.1 54 58 A P T 3 S+ 0 0 3 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.748 82.3 31.7 -55.2 -30.6 -10.9 -12.8 -12.9 55 59 A F T 3 S+ 0 0 23 41,-0.3 -2,-0.1 1,-0.1 267,-0.1 -0.293 75.5 123.1-126.2 41.7 -11.8 -15.8 -10.7 56 60 A Q S < S- 0 0 102 -3,-1.6 2,-0.2 -4,-0.2 -1,-0.1 0.802 86.2 -2.1 -68.3 -35.3 -11.5 -18.8 -13.1 57 61 A S S > S- 0 0 43 -4,-0.3 4,-1.9 -3,-0.2 5,-0.1 -0.839 82.1 -92.0-142.9 179.6 -9.0 -20.5 -10.7 58 62 A I H > S+ 0 0 87 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.882 126.4 49.7 -60.4 -38.1 -7.1 -19.9 -7.4 59 63 A I H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 111.4 45.6 -72.0 -44.1 -4.2 -18.4 -9.5 60 64 A H H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.842 113.2 52.4 -61.2 -44.1 -6.4 -16.0 -11.5 61 65 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.933 112.6 42.9 -58.1 -52.8 -8.1 -15.1 -8.3 62 66 A K H X S+ 0 0 33 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.860 114.8 51.0 -65.7 -40.0 -4.9 -14.3 -6.6 63 67 A R H X S+ 0 0 95 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.842 107.5 52.6 -65.9 -37.5 -3.5 -12.5 -9.7 64 68 A T H X S+ 0 0 5 -4,-2.4 4,-2.2 -10,-0.4 -2,-0.2 0.946 113.6 44.9 -60.8 -43.4 -6.7 -10.4 -10.0 65 69 A Y H X S+ 0 0 13 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.899 111.6 51.9 -68.4 -46.4 -6.1 -9.4 -6.3 66 70 A R H X S+ 0 0 74 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.915 111.3 46.8 -52.1 -55.2 -2.4 -8.7 -6.8 67 71 A E H X S+ 0 0 27 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.902 113.8 47.9 -60.7 -43.8 -2.9 -6.4 -9.8 68 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.944 113.4 48.4 -62.7 -45.6 -5.7 -4.5 -8.0 69 73 A R H X S+ 0 0 31 -4,-3.1 4,-1.0 2,-0.2 -2,-0.2 0.920 114.0 45.8 -56.1 -47.5 -3.6 -4.2 -4.9 70 74 A L H X S+ 0 0 42 -4,-2.8 4,-1.1 1,-0.2 3,-0.5 0.920 114.0 48.7 -66.6 -44.8 -0.5 -3.0 -6.9 71 75 A L H >< S+ 0 0 18 -4,-2.9 11,-0.7 1,-0.2 3,-0.6 0.918 108.0 53.6 -62.3 -44.7 -2.6 -0.5 -9.0 72 76 A K H 3< S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.750 110.5 49.3 -60.3 -26.2 -4.3 1.0 -5.9 73 77 A H H 3< S+ 0 0 35 -4,-1.0 2,-0.7 -3,-0.5 -1,-0.2 0.739 85.6 95.2 -86.6 -27.4 -0.9 1.7 -4.3 74 78 A M << + 0 0 14 -4,-1.1 2,-0.4 -3,-0.6 8,-0.4 -0.591 37.3 157.3 -77.7 109.6 0.9 3.4 -7.2 75 79 A K + 0 0 154 -2,-0.7 2,-0.3 6,-0.1 5,-0.1 -0.831 33.2 107.5-128.3 90.4 0.6 7.2 -7.0 76 80 A H B > S-F 79 0C 19 3,-0.6 3,-1.5 -2,-0.4 57,-0.0 -0.952 71.9-115.9-166.2 147.8 3.5 8.6 -8.9 77 81 A E T 3 S+ 0 0 105 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.750 112.2 45.3 -61.6 -35.0 4.0 10.5 -12.2 78 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.7 54,-0.1 2,-0.4 0.145 104.5 71.8-100.2 19.6 6.0 7.8 -13.9 79 83 A V B < S-Fg 76 162C 6 -3,-1.5 -3,-0.6 82,-0.3 84,-0.2 -0.992 89.5-102.7-134.0 137.9 3.9 4.8 -12.9 80 84 A I - 0 0 35 82,-2.9 2,-0.3 -2,-0.4 -6,-0.1 -0.148 45.4-167.7 -46.9 134.5 0.4 3.7 -14.1 81 85 A G - 0 0 21 -4,-0.1 2,-0.7 -6,-0.1 22,-0.4 -0.889 24.3-102.4-129.0 162.9 -2.2 4.7 -11.5 82 86 A L + 0 0 14 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.781 30.7 172.0 -89.1 111.9 -5.9 3.8 -10.8 83 87 A L S S- 0 0 20 18,-2.3 2,-0.3 -2,-0.7 19,-0.2 0.891 75.1 -12.9 -76.3 -43.1 -8.4 6.5 -11.9 84 88 A D E -E 101 0B 18 17,-1.5 17,-3.2 250,-0.1 -1,-0.3 -0.996 49.7-165.6-154.5 153.2 -11.2 4.1 -11.2 85 89 A V E +E 100 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.966 26.1 159.4-138.3 136.9 -12.2 0.5 -10.5 86 90 A F E -E 99 0B 15 13,-1.7 13,-2.0 -2,-0.3 244,-0.0 -0.942 24.3-156.3-146.7 161.3 -15.8 -0.7 -10.7 87 91 A T - 0 0 15 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.977 25.6-132.3-131.6 150.1 -18.0 -3.8 -11.1 88 92 A P S S+ 0 0 22 0, 0.0 -83,-0.1 0, 0.0 7,-0.1 0.687 77.9 109.2 -68.9 -17.5 -21.6 -4.1 -12.4 89 93 A A - 0 0 17 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.293 54.2-163.6 -59.2 139.2 -22.3 -6.4 -9.3 90 94 A R S S+ 0 0 212 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.669 75.1 29.2 -93.3 -19.6 -24.5 -5.0 -6.5 91 95 A S S S- 0 0 48 1,-0.1 4,-0.5 0, 0.0 3,-0.2 -0.928 80.9-111.4-135.6 159.9 -23.3 -7.7 -4.0 92 96 A L S > S+ 0 0 72 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.906 117.4 60.0 -48.6 -43.1 -20.4 -9.9 -3.2 93 97 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.868 110.3 37.3 -63.1 -41.3 -22.6 -12.8 -4.3 94 98 A E T 3 S+ 0 0 105 -3,-0.2 2,-0.7 -6,-0.0 -1,-0.3 0.341 86.6 126.7 -90.1 8.8 -23.0 -11.5 -7.8 95 99 A F < + 0 0 0 -3,-1.5 3,-0.1 -4,-0.5 231,-0.1 -0.539 19.8 125.2 -71.7 108.1 -19.4 -10.2 -8.0 96 100 A N + 0 0 86 -2,-0.7 2,-0.4 1,-0.2 -41,-0.3 0.540 51.8 63.5-137.4 -23.2 -17.9 -11.7 -11.1 97 101 A D - 0 0 53 -3,-0.2 2,-0.4 -44,-0.1 -8,-0.3 -0.919 54.9-166.7-116.4 139.7 -16.5 -9.0 -13.4 98 102 A V - 0 0 2 -2,-0.4 -47,-2.8 -47,-0.3 2,-0.4 -0.991 4.2-174.9-125.4 129.8 -13.7 -6.5 -12.7 99 103 A Y E -DE 50 86B 3 -13,-2.0 -13,-1.7 -2,-0.4 2,-0.4 -0.980 6.1-161.1-125.3 137.9 -12.9 -3.4 -14.7 100 104 A L E -DE 49 85B 5 -51,-2.7 -51,-3.1 -2,-0.4 2,-0.4 -0.913 3.8-156.9-117.0 139.9 -9.9 -1.1 -14.2 101 105 A V E +DE 48 84B 0 -17,-3.2 -18,-2.3 -2,-0.4 -17,-1.5 -0.974 20.6 157.3-122.5 132.0 -9.6 2.5 -15.5 102 106 A T E -D 47 0B 19 -55,-2.2 -55,-3.7 -2,-0.4 -20,-0.1 -0.918 49.5 -72.9-139.8 165.9 -6.3 4.4 -16.1 103 107 A H E -D 46 0B 71 -22,-0.4 2,-0.4 -2,-0.3 -57,-0.3 -0.337 47.4-123.4 -58.4 136.4 -5.1 7.4 -18.2 104 108 A L - 0 0 58 -59,-1.4 2,-0.4 -67,-0.1 -59,-0.1 -0.697 29.1-156.8 -79.1 134.6 -4.8 6.6 -21.9 105 109 A M - 0 0 31 -2,-0.4 50,-0.2 1,-0.1 49,-0.1 -0.912 23.2-110.6-117.6 145.3 -1.3 7.3 -23.0 106 110 A G S S- 0 0 56 -2,-0.4 49,-0.3 47,-0.1 2,-0.2 0.848 76.3 -45.4 -34.0 -72.9 -0.2 8.0 -26.6 107 111 A A E -H 154 0C 39 47,-3.1 47,-1.6 -3,-0.1 2,-0.3 -0.591 62.1 -92.1-146.5-160.5 1.8 4.9 -27.6 108 112 A D E -H 153 0C 37 45,-0.3 3,-0.4 -2,-0.2 45,-0.2 -0.821 36.6 -99.8-127.6 174.2 4.5 2.6 -26.2 109 113 A L S >> S+ 0 0 0 43,-1.8 4,-2.1 40,-1.3 3,-1.0 0.737 122.5 57.0 -69.9 -23.5 8.3 2.5 -26.3 110 114 A N H 3> S+ 0 0 17 39,-0.4 4,-1.4 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1,-0.3 -1,-0.2 0.780 103.6 65.5 -68.0 -26.6 28.2 -13.2 -21.7 221 237 A R H 3< S+ 0 0 145 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.897 113.0 32.5 -61.1 -38.8 29.6 -12.3 -25.1 222 238 A L H << S+ 0 0 10 -4,-1.1 30,-2.3 -3,-0.8 -2,-0.2 0.907 130.6 31.7 -83.2 -45.4 29.1 -8.6 -24.1 223 239 A V H < S- 0 0 13 -4,-2.7 28,-0.3 28,-0.2 52,-0.2 0.564 108.9-121.1 -93.9 -7.3 29.7 -8.7 -20.4 224 240 A G < - 0 0 2 -4,-2.1 -1,-0.2 26,-0.4 -2,-0.1 -0.016 37.6 -61.9 87.4 163.2 32.2 -11.6 -20.3 225 241 A T S S- 0 0 26 24,-2.8 26,-0.1 1,-0.1 19,-0.1 -0.481 70.5 -82.0 -78.8 156.4 32.0 -14.9 -18.4 226 242 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.310 44.1-144.1 -63.1 140.9 31.8 -14.7 -14.6 227 243 A G > - 0 0 46 -3,-0.1 4,-2.0 1,-0.0 5,-0.1 -0.152 36.6 -82.1 -84.3-166.8 35.0 -14.3 -12.8 228 244 A A H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.877 122.3 57.4 -73.7 -42.5 35.8 -15.9 -9.4 229 245 A E H 4 S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.864 114.8 40.7 -60.5 -32.0 34.1 -13.5 -7.0 230 246 A L H >4 S+ 0 0 33 2,-0.2 3,-2.0 1,-0.1 4,-0.3 0.910 110.4 55.6 -77.6 -41.6 30.8 -14.1 -8.8 231 247 A L H >< S+ 0 0 29 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.829 100.4 61.3 -65.2 -31.3 31.2 -17.9 -9.3 232 248 A K T 3< S+ 0 0 180 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.556 100.5 54.7 -72.0 -7.3 31.7 -18.3 -5.5 233 249 A K T < S+ 0 0 85 -3,-2.0 2,-0.8 -5,-0.1 -1,-0.2 0.390 81.6 105.5-103.6 -0.1 28.3 -16.9 -4.9 234 250 A I < - 0 0 36 -3,-1.3 6,-0.1 -4,-0.3 -3,-0.0 -0.729 47.3-174.1 -87.5 108.7 26.5 -19.4 -7.2 235 251 A S + 0 0 99 -2,-0.8 2,-0.6 4,-0.0 -1,-0.2 0.803 58.9 85.6 -73.0 -34.0 24.7 -22.0 -5.0 236 252 A S > - 0 0 44 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.614 63.0-156.1 -75.4 117.7 23.5 -24.4 -7.8 237 253 A E H > S+ 0 0 60 -2,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.886 95.4 46.8 -51.6 -44.0 26.2 -27.0 -8.7 238 254 A S H > S+ 0 0 91 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.904 110.9 49.1 -74.5 -43.7 24.6 -27.4 -12.2 239 255 A A H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 111.1 51.6 -54.0 -48.4 24.2 -23.7 -13.0 240 256 A R H X S+ 0 0 73 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.889 111.0 49.5 -57.7 -39.5 27.9 -23.2 -11.9 241 257 A N H X S+ 0 0 91 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.946 108.7 49.5 -66.1 -50.2 28.8 -26.0 -14.3 242 258 A Y H X S+ 0 0 79 -4,-2.9 4,-1.6 1,-0.2 3,-0.5 0.960 115.7 45.8 -50.1 -54.8 26.9 -24.6 -17.3 243 259 A I H < S+ 0 0 7 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.912 116.9 42.6 -50.9 -53.3 28.6 -21.3 -16.6 244 260 A Q H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.649 113.5 53.0 -75.6 -17.1 32.1 -22.8 -16.2 245 261 A S H < S+ 0 0 95 -4,-2.1 2,-0.4 -3,-0.5 -1,-0.2 0.686 87.2 90.1 -90.4 -25.4 31.7 -25.2 -19.1 246 262 A L S < S- 0 0 31 -4,-1.6 3,-0.1 -3,-0.4 -21,-0.0 -0.645 101.1 -88.9 -74.9 127.5 30.7 -22.5 -21.7 247 263 A T - 0 0 123 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.059 51.6-100.5 -42.8 126.1 33.9 -21.2 -23.3 248 264 A Q - 0 0 158 -4,-0.2 -1,-0.1 -3,-0.1 -4,-0.0 -0.187 40.6-167.4 -47.8 133.0 35.4 -18.2 -21.4 249 265 A M - 0 0 78 -3,-0.1 -24,-2.8 -29,-0.1 2,-0.3 -0.962 15.5-126.9-123.3 143.1 34.6 -14.8 -22.8 250 266 A P - 0 0 93 0, 0.0 -26,-0.4 0, 0.0 2,-0.0 -0.645 32.5 -97.3 -86.1 151.4 36.2 -11.5 -21.9 251 267 A K - 0 0 110 -28,-0.3 2,-0.2 -2,-0.3 -28,-0.2 -0.366 45.2-128.0 -54.2 137.1 34.3 -8.4 -20.8 252 268 A M - 0 0 60 -30,-2.3 2,-0.7 -3,-0.0 3,-0.1 -0.641 15.6-109.3 -93.6 153.0 33.9 -6.0 -23.8 253 269 A N >> - 0 0 94 -2,-0.2 3,-1.2 1,-0.2 4,-1.0 -0.741 26.4-156.2 -73.7 115.6 34.8 -2.4 -23.9 254 270 A F H 3> S+ 0 0 1 -2,-0.7 4,-3.2 1,-0.2 3,-0.4 0.862 89.8 65.4 -66.7 -34.4 31.3 -0.7 -24.0 255 271 A A H 34 S+ 0 0 53 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.676 107.1 44.5 -62.4 -16.2 32.8 2.4 -25.7 256 272 A N H <4 S+ 0 0 116 -3,-1.2 3,-0.5 3,-0.1 -1,-0.2 0.662 114.3 46.2 -93.7 -29.1 33.6 0.2 -28.7 257 273 A V H < S+ 0 0 59 -4,-1.0 2,-0.5 -3,-0.4 -2,-0.2 0.837 117.8 43.6 -82.4 -36.3 30.3 -1.7 -28.8 258 274 A F S >< S- 0 0 10 -4,-3.2 3,-1.3 -5,-0.1 -1,-0.2 -0.515 88.4-175.3-105.6 60.6 28.3 1.6 -28.4 259 275 A I T 3 + 0 0 141 -2,-0.5 -3,-0.1 -3,-0.5 3,-0.1 -0.389 66.4 9.2 -64.4 124.8 30.4 3.5 -30.9 260 276 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -5,-0.3 -4,-0.1 0.177 95.4 128.8 92.3 -16.4 29.5 7.2 -31.2 261 277 A A S < S- 0 0 27 -3,-1.3 -1,-0.3 1,-0.1 5,-0.1 -0.323 76.0 -81.5 -61.8 152.6 27.1 7.2 -28.2 262 278 A N > - 0 0 45 1,-0.1 4,-1.6 -3,-0.1 3,-0.1 -0.305 37.4-132.0 -47.7 133.2 27.5 9.8 -25.5 263 279 A P H > S+ 0 0 104 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.723 106.9 56.1 -67.9 -23.4 30.4 8.6 -23.1 264 280 A L H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.848 107.3 48.4 -74.5 -34.8 28.2 9.3 -20.1 265 281 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.838 110.3 52.2 -67.9 -34.3 25.5 7.0 -21.5 266 282 A V H X S+ 0 0 12 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.921 108.7 51.4 -67.7 -39.3 28.2 4.4 -22.1 267 283 A D H X S+ 0 0 60 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.899 109.9 47.6 -63.3 -43.0 29.3 4.8 -18.5 268 284 A L H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.926 110.1 53.5 -61.7 -47.3 25.7 4.3 -17.2 269 285 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.817 105.6 52.8 -55.9 -37.7 25.3 1.3 -19.4 270 286 A E H < S+ 0 0 49 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 112.0 47.2 -65.0 -39.6 28.5 -0.3 -17.9 271 287 A K H < S+ 0 0 81 -4,-1.5 10,-2.4 -3,-0.2 3,-0.3 0.601 115.0 45.9 -75.6 -17.9 27.1 0.3 -14.4 272 288 A M H < S+ 0 0 0 -4,-1.0 2,-0.3 -3,-0.2 -2,-0.2 0.823 108.2 53.1 -92.8 -34.6 23.7 -1.2 -15.4 273 289 A L < + 0 0 3 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.2 -0.284 68.6 143.4-104.6 42.4 24.8 -4.3 -17.2 274 290 A V - 0 0 43 -2,-0.3 6,-0.2 -3,-0.3 5,-0.1 -0.740 48.5-142.0 -79.1 126.7 27.1 -5.8 -14.6 275 291 A L S S+ 0 0 28 -2,-0.5 2,-0.7 -52,-0.2 -99,-0.2 0.922 89.0 73.9 -55.2 -44.1 26.7 -9.6 -14.7 276 292 A D S >> S- 0 0 15 1,-0.2 3,-2.1 -3,-0.1 4,-0.6 -0.608 73.4-156.7 -79.5 113.3 27.0 -9.7 -10.9 277 293 A S T 34 S+ 0 0 8 -2,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.700 88.7 65.3 -66.5 -24.2 23.7 -8.3 -9.5 278 294 A D T 34 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.679 106.5 43.5 -65.5 -20.6 25.3 -7.3 -6.2 279 295 A K T <4 S+ 0 0 124 -3,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.493 86.1 114.7-104.6 -9.6 27.5 -4.7 -8.1 280 296 A R S < S- 0 0 7 -4,-0.6 -8,-0.2 -3,-0.3 -9,-0.1 -0.420 75.2-107.1 -63.2 132.2 24.8 -3.2 -10.4 281 297 A I - 0 0 17 -10,-2.4 -1,-0.1 -13,-0.2 2,-0.1 -0.315 36.0-130.1 -52.7 139.3 23.9 0.4 -9.8 282 298 A T > - 0 0 51 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.336 24.1-102.0 -83.6 176.9 20.5 0.8 -8.2 283 299 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -148,-0.2 0.957 122.2 49.6 -67.5 -50.9 17.7 3.1 -9.4 284 300 A A H > S+ 0 0 53 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.882 115.1 45.1 -49.2 -49.0 18.4 5.8 -6.7 285 301 A Q H >4 S+ 0 0 115 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.847 109.1 55.1 -65.0 -37.6 22.1 5.7 -7.6 286 302 A A H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.883 101.1 59.4 -67.6 -32.3 21.4 5.8 -11.4 287 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.743 104.7 50.0 -64.3 -28.9 19.3 9.0 -11.0 288 304 A A T << S+ 0 0 64 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.378 85.0 116.7 -91.9 0.1 22.4 10.8 -9.5 289 305 A H S X S- 0 0 22 -3,-1.4 3,-1.4 -4,-0.3 7,-0.1 -0.313 78.2-115.4 -64.8 156.1 24.6 9.7 -12.4 290 306 A A G > 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S < S+ 0 0 87 -3,-2.3 -3,-0.2 1,-0.1 -1,-0.2 -0.501 86.3 91.3-133.4 57.1 11.3 15.6 -6.7 301 317 A E - 0 0 11 -3,-0.3 -1,-0.1 -5,-0.1 -14,-0.0 -0.444 66.5-170.8-144.3 64.9 12.3 11.9 -6.7 302 318 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.044 14.1-138.5 -65.3 157.1 9.8 10.7 -4.2 303 319 A V - 0 0 89 -164,-0.1 2,-0.2 -165,-0.1 -167,-0.1 -0.653 27.7-100.2-109.3 169.7 9.6 7.2 -2.6 304 320 A A - 0 0 15 -168,-0.5 3,-0.1 -2,-0.2 -230,-0.1 -0.560 26.7-104.6 -98.0 152.6 6.5 5.2 -1.9 305 321 A D - 0 0 117 -232,-0.2 -1,-0.1 -2,-0.2 -232,-0.0 -0.270 63.2 -74.9 -54.7 156.9 4.3 4.4 1.1 306 322 A P - 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.289 47.1-146.2 -62.6 139.5 4.9 0.9 2.6 307 323 A Y - 0 0 19 -167,-0.4 2,-1.0 -3,-0.1 -237,-0.0 -0.964 2.6-145.9-114.6 122.9 3.4 -1.9 0.5 308 324 A D + 0 0 92 -2,-0.6 3,-0.3 1,-0.1 -168,-0.0 -0.708 30.2 160.6 -84.4 99.4 2.0 -4.9 2.3 309 325 A Q > + 0 0 57 -2,-1.0 3,-1.1 1,-0.2 4,-0.2 -0.015 33.3 119.8-110.5 36.6 2.6 -7.9 0.2 310 326 A S G > + 0 0 46 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.830 64.8 72.9 -61.5 -28.6 2.3 -10.5 2.9 311 327 A F G > S+ 0 0 2 -3,-0.3 3,-2.5 1,-0.3 -1,-0.2 0.786 79.8 74.7 -55.9 -30.4 -0.7 -11.9 0.9 312 328 A E G < S+ 0 0 57 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.765 95.3 48.7 -55.3 -28.8 1.9 -13.3 -1.6 313 329 A S G < S+ 0 0 96 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.336 94.9 100.8 -93.7 7.5 2.8 -16.0 0.8 314 330 A R < - 0 0 107 -3,-2.5 2,-0.6 -4,-0.1 -3,-0.0 -0.703 58.4-152.4 -98.9 148.3 -0.8 -17.1 1.5 315 331 A D + 0 0 154 -2,-0.3 2,-0.3 0, 0.0 -3,-0.0 -0.962 32.9 165.4-114.1 111.1 -2.6 -20.0 0.1 316 332 A L - 0 0 41 -2,-0.6 2,-0.1 -258,-0.1 -254,-0.1 -0.773 37.7 -93.5-126.8 166.8 -6.3 -19.1 0.0 317 333 A L > - 0 0 109 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.443 37.7-111.6 -75.2 156.1 -9.6 -20.4 -1.5 318 334 A I H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.886 119.8 50.2 -47.9 -44.6 -10.9 -18.9 -4.7 319 335 A D H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.786 108.8 52.1 -70.7 -27.7 -13.8 -17.3 -2.7 320 336 A E H > S+ 0 0 90 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.890 110.9 45.3 -77.5 -40.2 -11.4 -15.8 -0.2 321 337 A W H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.910 115.4 50.6 -62.6 -39.4 -9.2 -14.2 -2.9 322 338 A K H X S+ 0 0 31 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.935 110.1 47.3 -63.8 -47.4 -12.5 -13.0 -4.6 323 339 A S H X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.860 109.4 53.7 -63.4 -39.8 -13.9 -11.5 -1.4 324 340 A L H X S+ 0 0 55 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.842 109.4 50.2 -59.5 -34.9 -10.6 -9.8 -0.7 325 341 A T H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.863 108.7 51.5 -69.7 -38.5 -10.8 -8.3 -4.2 326 342 A Y H >X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 3,-0.5 0.938 106.6 53.6 -64.9 -47.1 -14.4 -7.1 -3.5 327 343 A D H 3X S+ 0 0 81 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.894 110.2 48.4 -48.4 -46.7 -13.2 -5.5 -0.3 328 344 A E H 3< S+ 0 0 41 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.755 107.5 53.5 -72.4 -26.1 -10.7 -3.6 -2.3 329 345 A V H << S+ 0 0 15 -4,-1.6 3,-0.4 -3,-0.5 -1,-0.2 0.863 113.5 45.0 -72.3 -34.9 -13.1 -2.5 -5.0 330 346 A I H < S+ 0 0 114 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.828 111.6 49.9 -78.2 -36.3 -15.4 -1.0 -2.3 331 347 A S S < S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 2,-0.2 0.392 81.3 127.4 -86.3 4.2 -12.7 0.7 -0.3 332 348 A F - 0 0 29 -3,-0.4 -247,-0.1 -4,-0.2 -3,-0.1 -0.438 44.5-159.8 -67.2 128.3 -11.3 2.4 -3.4 333 349 A V - 0 0 118 -2,-0.2 -2,-0.1 -261,-0.1 -1,-0.0 -0.957 20.2-125.5-108.1 117.1 -10.9 6.2 -3.0 334 350 A P - 0 0 74 0, 0.0 -251,-0.1 0, 0.0 -250,-0.1 -0.177 33.8-102.5 -53.7 153.0 -10.7 8.1 -6.4 335 351 A P - 0 0 59 0, 0.0 2,-0.7 0, 0.0 -260,-0.0 -0.322 47.0 -76.8 -76.9 163.2 -7.7 10.3 -6.7 336 352 A P - 0 0 104 0, 0.0 2,-1.3 0, 0.0 0, 0.0 -0.475 47.9-139.6 -51.8 102.2 -7.7 14.2 -6.4 337 353 A L 0 0 70 -2,-0.7 -254,-0.0 -3,-0.1 0, 0.0 -0.608 360.0 360.0 -72.1 95.4 -9.2 15.1 -9.8 338 354 A D 0 0 195 -2,-1.3 -1,-0.1 0, 0.0 -296,-0.0 -0.768 360.0 360.0-102.6 360.0 -7.0 18.1 -10.5