==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 22-DEC-08 3FMJ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.GHATE . 344 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 65.1 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 . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 39 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 29.1 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 4 1 1 0 1 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 . 1 0 2 1 1 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 1 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 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 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-158.5 -3.6 0.8 38.9 2 5 A R - 0 0 82 1,-0.1 3,-0.0 87,-0.0 87,-0.0 -0.591 360.0-131.5 -75.3 129.3 -1.3 3.1 40.9 3 6 A P - 0 0 64 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.243 29.7 -95.4 -68.3 168.9 2.0 1.5 42.1 4 7 A T - 0 0 85 2,-0.0 15,-2.0 -2,-0.0 2,-0.3 -0.785 41.4-151.5 -86.6 127.4 3.2 1.7 45.7 5 8 A F E -A 18 0A 25 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.766 6.5-157.8-100.0 145.7 5.6 4.6 46.2 6 9 A Y E -A 17 0A 55 11,-2.5 11,-1.8 -2,-0.3 2,-0.3 -0.935 13.3-125.7-124.0 151.7 8.4 4.7 48.8 7 10 A R E +A 16 0A 167 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.682 30.7 161.4-100.1 147.3 10.3 7.7 50.3 8 11 A Q E -A 15 0A 63 7,-1.5 7,-3.8 -2,-0.3 2,-0.7 -0.925 32.8-134.8-164.1 131.2 14.0 8.3 50.4 9 12 A E E -A 14 0A 118 -2,-0.3 2,-0.6 5,-0.3 5,-0.2 -0.850 22.1-170.2 -92.5 116.3 16.2 11.3 51.0 10 13 A L E > -A 13 0A 16 3,-2.5 3,-0.9 -2,-0.7 2,-0.9 -0.945 69.0 -38.2-112.4 115.5 19.1 11.3 48.4 11 14 A N T 3 S- 0 0 126 -2,-0.6 -2,-0.1 1,-0.2 3,-0.0 -0.665 128.6 -30.3 61.4-102.9 21.7 13.9 49.3 12 15 A K T 3 S+ 0 0 184 -2,-0.9 2,-0.4 2,-0.0 -1,-0.2 -0.104 119.5 91.8-132.9 36.7 19.3 16.6 50.5 13 16 A T E < S-A 10 0A 51 -3,-0.9 -3,-2.5 2,-0.0 2,-0.6 -0.993 71.4-125.2-133.3 136.5 16.2 15.9 48.3 14 17 A I E -A 9 0A 74 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.742 27.0-165.4 -82.7 118.4 13.1 13.7 49.1 15 18 A W E -A 8 0A 4 -7,-3.8 -7,-1.5 -2,-0.6 2,-0.5 -0.925 7.8-172.9-106.1 125.9 12.6 11.1 46.3 16 19 A E E +A 7 0A 52 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.957 21.7 157.9-120.0 109.3 9.3 9.3 46.1 17 20 A V E -A 6 0A 2 -11,-1.8 -11,-2.5 -2,-0.5 -2,-0.0 -0.914 45.2 -87.7-133.6 152.7 9.4 6.5 43.5 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.8 0, 0.0 -13,-0.2 -0.275 42.9-112.4 -58.5 150.5 7.5 3.3 42.7 19 22 A E T 3 S+ 0 0 108 -15,-2.0 20,-0.1 1,-0.3 -14,-0.1 0.743 108.9 75.4 -57.6 -31.3 8.9 0.1 44.4 20 23 A R T 3 S+ 0 0 61 -16,-0.2 19,-3.1 18,-0.1 2,-0.6 0.775 83.7 75.8 -51.6 -31.7 10.1 -1.4 41.0 21 24 A Y E < +B 38 0B 0 -3,-1.8 2,-0.3 17,-0.2 17,-0.2 -0.778 68.6 171.9 -91.3 117.4 13.0 1.1 41.1 22 25 A Q E +B 37 0B 74 15,-2.7 15,-3.0 -2,-0.6 -2,-0.0 -0.777 45.5 31.1-123.5 163.5 15.6 0.0 43.6 23 26 A N E - 0 0 122 -2,-0.3 2,-0.2 13,-0.2 -1,-0.2 0.864 69.9-163.0 60.0 43.9 19.2 1.0 44.6 24 27 A L E + 0 0 12 -3,-0.2 12,-0.2 12,-0.1 -1,-0.2 -0.410 12.9 177.0 -61.7 121.5 18.8 4.7 43.8 25 28 A S E -B 35 0B 64 10,-2.7 10,-3.2 -2,-0.2 -15,-0.0 -0.979 31.5-115.6-135.4 118.9 22.3 6.2 43.6 26 29 A P E +B 34 0B 51 0, 0.0 8,-0.3 0, 0.0 -15,-0.0 -0.232 38.5 163.3 -54.8 132.6 23.0 9.9 42.7 27 30 A V 0 0 89 6,-2.7 7,-0.2 1,-0.4 19,-0.0 0.440 360.0 360.0-126.1 -10.8 24.9 10.4 39.5 28 31 A G 0 0 62 5,-1.5 5,-2.3 0, 0.0 -1,-0.4 -0.983 360.0 360.0-178.9 360.0 24.2 14.0 38.7 29 ! 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 30 35 A Y 0 0 133 0, 0.0 21,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -42.1 17.3 21.6 35.7 31 36 A G E - C 0 50B 15 19,-0.3 2,-0.3 2,-0.0 19,-0.2 -0.920 360.0 -84.5 156.2-179.6 17.0 18.6 38.1 32 37 A S E - C 0 49B 35 17,-2.0 17,-2.7 -2,-0.3 2,-0.4 -0.921 29.5-145.8-123.1 149.0 18.9 15.7 39.6 33 38 A V E - C 0 48B 26 -5,-2.3 -6,-2.7 -2,-0.3 -5,-1.5 -0.917 10.2-171.8-117.9 135.4 19.6 12.2 38.3 34 39 A C E -BC 26 47B 2 13,-3.0 13,-3.6 -2,-0.4 2,-0.3 -0.957 21.4-131.8-117.4 144.2 19.9 8.9 40.1 35 40 A A E +BC 25 46B 16 -10,-3.2 -10,-2.7 -2,-0.4 2,-0.3 -0.707 39.0 166.5 -82.2 146.5 21.0 5.6 38.7 36 41 A A E - C 0 45B 9 9,-2.6 9,-2.7 -2,-0.3 2,-0.6 -0.958 38.2-112.3-153.0 167.2 18.6 2.7 39.7 37 42 A F E -BC 22 44B 78 -15,-3.0 -15,-2.7 -2,-0.3 2,-1.0 -0.953 22.8-147.6-108.9 121.0 17.7 -0.9 38.9 38 43 A D E >>> -BC 21 43B 2 5,-2.7 4,-2.5 -2,-0.6 5,-0.7 -0.782 9.6-169.0 -88.5 104.4 14.3 -1.4 37.4 39 44 A T T 345S+ 0 0 78 -19,-3.1 -1,-0.2 -2,-1.0 -18,-0.1 0.702 82.4 61.0 -69.0 -20.2 13.1 -4.7 38.8 40 45 A K T 345S+ 0 0 155 -20,-0.2 -1,-0.2 1,-0.1 -19,-0.1 0.859 122.2 18.3 -71.9 -37.3 10.2 -4.8 36.3 41 46 A T T <45S- 0 0 73 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.568 96.1-123.7-111.4 -16.1 12.4 -4.7 33.2 42 47 A G T <5 + 0 0 43 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.626 66.3 138.2 75.8 15.6 15.8 -5.8 34.5 43 48 A L E < -C 38 0B 57 -5,-0.7 -5,-2.7 59,-0.0 2,-0.6 -0.705 60.4-126.1 -96.7 141.4 17.2 -2.6 33.1 44 49 A R E -C 37 0B 170 -2,-0.3 59,-2.2 -7,-0.2 2,-0.3 -0.782 45.3-169.5 -77.6 121.7 19.8 -0.2 34.7 45 50 A V E -CD 36 102B 0 -9,-2.7 -9,-2.6 -2,-0.6 2,-0.5 -0.819 28.8-135.1-119.9 153.6 17.9 3.1 34.5 46 51 A A E -CD 35 101B 13 55,-2.9 55,-2.1 -2,-0.3 2,-0.5 -0.941 22.8-161.6 -99.8 129.8 18.6 6.8 35.0 47 52 A V E -CD 34 100B 1 -13,-3.6 -13,-3.0 -2,-0.5 2,-0.5 -0.970 4.0-163.5-115.4 120.8 15.8 8.5 37.1 48 53 A K E -CD 33 99B 28 51,-3.3 51,-2.7 -2,-0.5 2,-0.7 -0.913 6.6-160.7-110.8 121.0 15.6 12.2 36.9 49 54 A K E -CD 32 98B 23 -17,-2.7 -17,-2.0 -2,-0.5 49,-0.2 -0.898 22.3-133.1 -98.0 116.0 13.6 14.3 39.4 50 55 A L E -C 31 0B 6 47,-2.3 2,-0.5 -2,-0.7 47,-0.3 -0.449 18.3-127.9 -68.4 135.5 12.8 17.8 37.9 51 56 A S S S- 0 0 50 -21,-1.1 4,-0.2 1,-0.3 -1,-0.1 -0.780 78.6 -23.6 -92.8 126.0 13.5 20.6 40.4 52 57 A R S > S- 0 0 178 -2,-0.5 3,-1.3 1,-0.1 -1,-0.3 0.913 75.4-175.8 36.3 66.2 10.7 23.1 40.9 53 58 A P T 3 S+ 0 0 3 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.725 78.2 34.6 -62.9 -23.4 9.1 22.1 37.5 54 59 A F T 3 S+ 0 0 19 41,-0.3 -2,-0.1 1,-0.1 278,-0.1 -0.142 76.7 118.6-124.7 36.0 6.3 24.7 37.9 55 60 A Q S < S+ 0 0 103 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.1 0.722 86.2 3.0 -76.7 -23.2 8.1 27.6 39.7 56 61 A S S > S- 0 0 36 -4,-0.2 4,-2.9 -3,-0.2 5,-0.2 -0.942 78.9-100.6-150.6 169.2 7.5 30.0 36.8 57 62 A I H > S+ 0 0 82 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.906 124.3 51.6 -57.9 -44.4 5.8 30.2 33.4 58 63 A I H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 113.9 42.7 -58.6 -46.1 9.2 29.7 31.8 59 64 A H H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.876 113.9 50.7 -70.4 -40.8 9.9 26.6 34.0 60 65 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.901 112.2 47.1 -63.2 -43.0 6.4 25.2 33.5 61 66 A K H X S+ 0 0 36 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.871 111.4 52.0 -65.9 -38.6 6.6 25.5 29.7 62 67 A R H X S+ 0 0 88 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.869 108.1 51.7 -63.4 -40.0 10.1 24.0 29.8 63 68 A T H X S+ 0 0 9 -4,-2.0 4,-2.2 -10,-0.4 -2,-0.2 0.931 112.5 44.9 -63.1 -47.4 8.8 21.0 31.8 64 69 A Y H X S+ 0 0 10 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.912 112.4 53.6 -61.0 -44.6 6.0 20.5 29.2 65 70 A R H X S+ 0 0 42 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.940 110.6 44.9 -55.3 -52.5 8.5 20.9 26.4 66 71 A E H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.909 114.8 47.7 -61.5 -44.8 10.9 18.2 27.7 67 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.929 112.6 48.6 -64.4 -45.4 8.1 15.7 28.5 68 73 A R H X S+ 0 0 40 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.912 113.1 49.4 -57.4 -45.3 6.5 16.2 25.0 69 74 A L H X S+ 0 0 22 -4,-2.5 4,-1.7 -5,-0.2 3,-0.4 0.943 113.3 43.8 -59.1 -53.3 9.9 15.8 23.4 70 75 A L H < S+ 0 0 15 -4,-2.6 11,-0.7 1,-0.2 -1,-0.2 0.828 110.1 55.6 -66.0 -35.6 10.8 12.6 25.2 71 76 A K H < S+ 0 0 39 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.807 111.5 46.1 -64.8 -30.7 7.4 11.0 24.8 72 77 A H H < S+ 0 0 35 -4,-1.3 2,-0.6 -3,-0.4 243,-0.2 0.855 88.0 95.9 -78.8 -38.1 7.7 11.5 21.0 73 78 A M < + 0 0 3 -4,-1.7 8,-0.4 -5,-0.1 2,-0.3 -0.414 38.9 157.8 -69.1 107.5 11.3 10.2 20.5 74 79 A K + 0 0 162 -2,-0.6 2,-0.3 6,-0.1 6,-0.1 -0.733 28.4 113.8-131.3 83.2 11.2 6.6 19.4 75 80 A H > - 0 0 20 3,-0.4 3,-1.7 -2,-0.3 57,-0.0 -0.989 67.6-122.6-153.4 142.2 14.5 5.7 17.6 76 81 A E T 3 S+ 0 0 131 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.762 112.6 45.9 -56.4 -32.4 17.4 3.4 18.4 77 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.5 2,-0.1 2,-0.3 0.159 106.6 69.5-102.1 17.1 19.9 6.3 18.2 78 83 A V B < S-f 161 0C 1 -3,-1.7 -3,-0.4 82,-0.3 84,-0.2 -0.977 93.8 -89.6-135.6 146.4 17.9 8.7 20.4 79 84 A I - 0 0 20 82,-2.5 2,-0.3 -2,-0.3 -4,-0.1 -0.250 44.9-158.4 -49.0 132.3 17.0 8.9 24.0 80 85 A G - 0 0 19 -6,-0.1 2,-0.8 -4,-0.1 22,-0.3 -0.856 18.3-118.0-114.0 156.7 13.7 7.1 24.7 81 86 A L + 0 0 13 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.855 27.4 177.9 -97.0 109.5 11.3 7.6 27.6 82 87 A L - 0 0 25 18,-2.2 2,-0.3 -2,-0.8 19,-0.2 0.849 68.5 -15.3 -73.7 -36.6 11.0 4.3 29.6 83 88 A D E -E 100 0B 23 17,-1.4 17,-2.4 261,-0.1 2,-0.3 -0.985 49.6-162.3-163.4 155.2 8.6 5.8 32.2 84 89 A V E +E 99 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.958 25.6 165.7-144.5 134.9 7.3 9.0 33.7 85 90 A F E -E 98 0B 13 13,-1.8 13,-2.2 -2,-0.3 255,-0.0 -0.976 25.4-162.7-147.9 159.8 5.6 9.3 37.0 86 91 A T - 0 0 13 -2,-0.3 11,-0.1 2,-0.2 -69,-0.1 -0.986 23.5-139.8-135.9 142.0 4.3 11.5 39.8 87 92 A P S S+ 0 0 22 0, 0.0 -82,-0.1 0, 0.0 7,-0.1 0.701 74.0 112.2 -66.9 -20.6 3.4 10.4 43.4 88 93 A A - 0 0 18 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.227 57.3-158.5 -55.5 140.3 0.4 12.8 43.1 89 94 A R S S+ 0 0 191 1,-0.1 2,-0.3 -87,-0.0 -1,-0.1 0.502 74.7 13.3 -97.2 -9.7 -3.0 11.2 43.0 90 95 A S S > S- 0 0 35 1,-0.1 4,-0.5 0, 0.0 3,-0.4 -0.964 82.3 -99.3-156.6 165.6 -4.7 14.2 41.3 91 96 A L T >4 S+ 0 0 52 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.848 117.0 64.6 -56.4 -36.2 -4.0 17.4 39.5 92 97 A E T 34 S+ 0 0 150 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.881 111.6 32.2 -58.9 -43.1 -4.6 19.3 42.8 93 98 A E T 34 S+ 0 0 149 -3,-0.4 2,-0.5 -6,-0.0 -1,-0.3 0.354 88.9 125.7 -96.7 4.4 -1.6 17.7 44.6 94 99 A F << + 0 0 3 -3,-0.8 3,-0.1 -4,-0.5 242,-0.1 -0.512 17.0 129.4 -70.8 115.4 0.6 17.4 41.4 95 100 A N + 0 0 100 -2,-0.5 2,-0.4 1,-0.3 -41,-0.3 0.458 53.7 61.6-141.7 -13.5 3.9 19.1 42.0 96 101 A D - 0 0 42 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.968 52.7-165.6-129.1 140.4 6.7 16.7 41.1 97 102 A V - 0 0 1 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -0.986 4.5-168.8-124.0 128.9 7.7 15.1 37.8 98 103 A Y E -DE 49 85B 2 -13,-2.2 -13,-1.8 -2,-0.4 2,-0.4 -0.954 5.0-161.3-116.5 137.8 10.1 12.1 37.5 99 104 A L E -DE 48 84B 9 -51,-2.7 -51,-3.3 -2,-0.4 2,-0.4 -0.939 3.1-160.5-120.8 142.2 11.5 10.9 34.1 100 105 A V E +DE 47 83B 1 -17,-2.4 -18,-2.2 -2,-0.4 -17,-1.4 -0.981 20.0 148.5-129.3 131.4 13.1 7.5 33.4 101 106 A T E -D 46 0B 24 -55,-2.1 -55,-2.9 -2,-0.4 2,-0.1 -0.875 54.9 -62.1-144.3 174.9 15.4 6.3 30.6 102 107 A H E -D 45 0B 74 -22,-0.3 -57,-0.3 -2,-0.3 2,-0.2 -0.441 62.8-105.7 -60.3 132.8 18.3 3.9 30.0 103 108 A L - 0 0 55 -59,-2.2 2,-0.6 -2,-0.1 -1,-0.1 -0.448 27.0-132.1 -64.6 125.3 21.3 4.6 32.2 104 109 A M - 0 0 82 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.726 25.2-178.5 -77.0 121.7 24.1 6.2 30.2 105 110 A G - 0 0 80 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.893 65.1 -1.4 -87.6 -48.6 27.3 4.4 31.2 106 111 A A - 0 0 33 47,-0.3 47,-2.4 3,-0.0 -1,-0.4 -0.977 65.7-141.7-142.8 151.2 29.9 6.3 29.2 107 112 A D B -G 152 0C 27 -2,-0.3 3,-0.5 45,-0.3 4,-0.5 -0.491 38.3 -92.9-105.2-179.6 29.8 9.2 26.7 108 113 A L S >> S+ 0 0 0 43,-1.6 4,-2.1 40,-1.5 3,-1.7 0.884 122.2 60.8 -61.8 -41.6 31.7 9.9 23.5 109 114 A N H 3> S+ 0 0 62 39,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.848 98.4 58.2 -49.9 -41.6 34.4 11.9 25.4 110 115 A N H 34 S+ 0 0 84 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.663 111.4 42.4 -65.2 -18.3 35.2 8.7 27.4 111 116 A I H <4 S+ 0 0 49 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.759 112.6 49.9-100.1 -32.9 36.0 6.9 24.1 112 117 A V H >< S+ 0 0 3 -4,-2.1 3,-2.2 2,-0.1 -2,-0.2 0.957 74.0 164.5 -68.0 -52.4 38.0 9.7 22.3 113 118 A K T 3< S- 0 0 118 -4,-2.2 -3,-0.1 1,-0.3 3,-0.1 0.814 78.4 -53.0 31.9 69.9 40.3 10.3 25.4 114 119 A C T 3 S+ 0 0 102 99,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.614 118.1 103.7 51.8 17.3 43.1 12.3 23.8 115 120 A Q S < S- 0 0 107 -3,-2.2 98,-0.2 -4,-0.0 -1,-0.1 -0.953 73.2-108.8-135.3 149.0 43.5 9.6 21.1 116 121 A K - 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0 0 35 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.378 30.6-148.3 -58.0 129.9 39.2 19.6 19.4 216 222 A L S S+ 0 0 34 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.949 90.2 16.5 -68.1 -49.9 38.7 21.1 15.9 217 223 A F + 0 0 4 -36,-0.3 2,-2.4 2,-0.1 -1,-0.2 -0.618 69.6 173.0-123.8 71.9 37.9 24.7 17.1 218 224 A P - 0 0 40 0, 0.0 -40,-0.1 0, 0.0 2,-0.0 -0.374 20.5-176.2 -80.9 67.6 39.2 25.0 20.7 219 225 A G - 0 0 0 -2,-2.4 -42,-0.4 1,-0.1 -39,-0.1 -0.325 30.3-145.7 -66.8 143.0 38.5 28.8 20.9 220 226 A T S S- 0 0 73 1,-0.2 2,-0.3 -44,-0.2 -44,-0.2 0.494 83.8 -12.4 -85.7 -6.7 39.5 30.7 24.0 221 227 A D S > S- 0 0 62 -46,-0.1 4,-2.7 -47,-0.1 5,-0.2 -0.937 88.6 -77.2-174.9 174.9 36.5 32.9 23.5 222 228 A H H > S+ 0 0 57 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.891 127.7 45.0 -51.8 -47.2 33.9 33.8 20.8 223 229 A I H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 113.2 49.2 -69.0 -46.1 36.2 35.9 18.8 224 230 A D H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 111.5 50.5 -56.5 -47.0 39.1 33.5 18.9 225 231 A Q H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.873 107.7 52.4 -62.1 -40.0 36.8 30.6 17.9 226 232 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.925 109.0 50.4 -60.7 -45.0 35.5 32.6 14.9 227 233 A K H X S+ 0 0 109 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.901 109.8 50.4 -60.1 -43.3 39.1 33.3 13.7 228 234 A L H X S+ 0 0 59 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.897 112.5 47.9 -57.8 -43.6 39.9 29.5 14.0 229 235 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.956 112.8 46.0 -62.0 -52.3 36.7 28.7 12.0 230 236 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.789 105.3 61.2 -68.0 -29.5 37.4 31.3 9.2 231 237 A R H < S+ 0 0 156 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.902 114.7 36.0 -58.8 -41.3 41.1 30.2 8.9 232 238 A L H < S+ 0 0 10 -4,-1.2 30,-2.9 -3,-0.5 -2,-0.2 0.960 130.1 26.9 -76.3 -56.7 39.8 26.7 8.0 233 239 A V H < S- 0 0 18 -4,-2.6 28,-0.4 28,-0.2 52,-0.2 0.537 109.6-113.6 -90.9 -6.9 36.7 27.4 5.9 234 240 A G < - 0 0 4 -4,-1.7 -1,-0.2 26,-0.4 -3,-0.1 0.035 39.4 -65.6 88.0 155.6 37.6 30.8 4.5 235 241 A T - 0 0 26 24,-2.1 26,-0.1 1,-0.1 50,-0.1 -0.370 67.8 -87.8 -71.7 156.1 36.0 34.2 5.2 236 242 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.321 37.5-133.5 -72.1 152.1 32.4 34.6 3.9 237 243 A G > - 0 0 45 -3,-0.1 4,-2.3 1,-0.0 3,-0.2 -0.334 36.1 -89.9 -88.6 178.5 31.6 35.8 0.4 238 244 A A H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.861 123.2 61.2 -56.8 -41.2 29.0 38.5 -0.5 239 245 A E H > S+ 0 0 109 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.914 110.7 37.8 -54.2 -50.8 26.3 35.9 -0.9 240 246 A L H >> S+ 0 0 9 -3,-0.2 4,-0.8 1,-0.2 3,-0.8 0.905 110.0 61.8 -70.9 -41.6 26.5 34.8 2.8 241 247 A L H >< S+ 0 0 29 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.893 100.5 54.0 -50.0 -46.5 27.1 38.4 4.1 242 248 A K H 3< S+ 0 0 169 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.848 104.5 56.1 -54.7 -37.2 23.7 39.5 2.7 243 249 A K H << S+ 0 0 63 -4,-0.8 2,-1.4 -3,-0.8 -1,-0.3 0.617 80.8 94.9 -76.5 -15.5 22.1 36.6 4.7 244 250 A I << - 0 0 0 -3,-1.2 -52,-0.2 -4,-0.8 6,-0.1 -0.684 56.5-176.8 -76.0 95.1 23.7 37.9 8.0 245 251 A S + 0 0 86 -2,-1.4 2,-1.1 -54,-0.6 -1,-0.2 0.737 59.4 91.4 -70.6 -26.0 20.6 39.9 9.0 246 252 A S > - 0 0 41 -55,-1.8 4,-2.2 1,-0.2 5,-0.2 -0.643 64.6-163.3 -70.0 100.5 22.4 41.2 12.0 247 253 A E H > S+ 0 0 150 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.879 88.3 52.2 -52.4 -41.6 23.8 44.5 10.6 248 254 A S H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.0 45.3 -63.8 -48.7 26.3 44.6 13.5 249 255 A A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.823 113.1 52.8 -64.7 -32.7 27.6 41.1 13.1 250 256 A R H X S+ 0 0 70 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.876 106.8 52.0 -70.2 -40.4 27.9 41.7 9.4 251 257 A N H X S+ 0 0 114 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.901 110.4 47.9 -63.0 -43.0 29.9 44.9 10.0 252 258 A Y H >< S+ 0 0 73 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.932 108.7 53.8 -63.5 -46.2 32.4 43.1 12.3 253 259 A I H >< S+ 0 0 6 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.904 105.2 55.3 -53.4 -43.4 32.8 40.2 9.8 254 260 A Q H 3< S+ 0 0 126 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.651 95.5 66.9 -66.5 -17.4 33.7 42.7 7.1 255 261 A S T << S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.6 2,-0.3 0.651 84.6 95.5 -75.2 -15.2 36.5 44.2 9.2 256 262 A L S < S- 0 0 38 -3,-1.6 2,-0.1 -4,-0.4 3,-0.1 -0.569 86.0-107.7 -86.8 139.4 38.4 40.9 8.9 257 263 A T - 0 0 125 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.400 45.6-104.3 -61.7 132.3 41.1 40.3 6.3 258 264 A Q - 0 0 166 -4,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 -0.315 41.9-174.3 -63.1 141.0 39.9 38.0 3.6 259 265 A M - 0 0 68 -3,-0.1 -24,-2.1 -29,-0.1 2,-0.2 -0.998 19.1-126.2-139.2 138.3 41.1 34.4 3.7 260 266 A P - 0 0 110 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.508 38.5 -91.1 -81.1 153.9 40.7 31.4 1.4 261 267 A K - 0 0 98 -28,-0.4 -28,-0.2 -2,-0.2 -29,-0.1 -0.372 47.9-122.3 -55.4 136.5 39.4 28.0 2.4 262 268 A M - 0 0 62 -30,-2.9 2,-0.7 -31,-0.2 -1,-0.1 -0.378 26.8 -95.1 -79.0 162.2 42.2 25.7 3.4 263 269 A N >> - 0 0 92 1,-0.2 4,-0.9 -2,-0.1 3,-0.8 -0.720 30.7-156.7 -77.7 113.4 43.0 22.3 1.8 264 270 A F H 3> S+ 0 0 2 -2,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.766 91.0 61.2 -66.6 -26.9 41.3 19.7 4.1 265 271 A A H 34 S+ 0 0 51 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.808 106.9 46.4 -68.3 -29.8 43.6 16.9 2.9 266 272 A N H <4 S+ 0 0 114 -3,-0.8 3,-0.4 1,-0.1 -2,-0.2 0.661 115.0 47.0 -82.3 -19.8 46.5 19.0 4.4 267 273 A V H < S+ 0 0 48 -4,-0.9 2,-0.8 1,-0.2 -2,-0.2 0.889 117.4 40.8 -83.4 -45.7 44.6 19.7 7.6 268 274 A F S >< S- 0 0 10 -4,-2.9 3,-2.0 -5,-0.1 -1,-0.2 -0.540 88.5-163.4-106.3 64.7 43.5 16.1 8.2 269 275 A I T 3 + 0 0 131 -2,-0.8 -3,-0.1 -3,-0.4 -4,-0.1 -0.214 69.8 5.9 -54.5 125.2 46.7 14.3 7.2 270 276 A G T 3 S+ 0 0 81 -5,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.361 93.6 139.1 84.4 -4.4 46.3 10.6 6.4 271 277 A A < - 0 0 26 -3,-2.0 -1,-0.3 -6,-0.2 5,-0.1 -0.431 68.3 -85.4 -74.5 145.6 42.5 10.6 6.8 272 278 A N >> - 0 0 44 1,-0.2 4,-2.0 -2,-0.1 3,-0.7 -0.268 36.6-131.6 -41.4 121.5 40.3 8.6 4.4 273 279 A P H 3> S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.771 108.8 56.8 -52.6 -29.8 39.7 10.9 1.4 274 280 A L H 3> S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.852 105.3 49.9 -70.2 -36.8 36.0 10.1 1.7 275 281 A A H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.913 110.4 50.6 -63.6 -45.2 36.0 11.4 5.3 276 282 A V H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.927 109.7 50.9 -57.5 -49.3 37.8 14.6 4.1 277 283 A D H X S+ 0 0 52 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.931 110.6 47.6 -54.6 -52.0 35.1 15.1 1.4 278 284 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-0.4 0.925 109.5 53.9 -58.6 -46.0 32.2 14.7 3.8 279 285 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.889 105.8 53.3 -53.9 -43.8 33.9 17.1 6.2 280 286 A E H < S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.848 111.2 47.1 -58.5 -35.0 34.2 19.7 3.4 281 287 A K H < S+ 0 0 89 -4,-1.5 10,-2.0 -3,-0.4 3,-0.3 0.722 117.0 42.0 -82.6 -24.2 30.4 19.3 2.8 282 288 A M H < S+ 0 0 0 -4,-1.8 2,-1.5 8,-0.2 -2,-0.2 0.873 106.9 60.3 -84.9 -43.3 29.5 19.5 6.5 283 289 A L S < S+ 0 0 4 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.408 71.2 139.2 -90.4 59.1 31.8 22.4 7.5 284 290 A V - 0 0 40 -2,-1.5 6,-0.2 -3,-0.3 5,-0.1 -0.897 50.5-143.1-103.4 130.0 30.4 25.0 5.1 285 291 A L S S+ 0 0 15 -2,-0.5 2,-0.7 -52,-0.2 -99,-0.2 0.931 88.1 71.4 -58.2 -49.4 30.0 28.5 6.5 286 292 A D S > S- 0 0 10 1,-0.2 3,-1.9 -3,-0.1 4,-0.5 -0.604 72.7-156.9 -72.9 109.0 26.7 29.2 4.6 287 293 A S G > S+ 0 0 4 -2,-0.7 3,-0.8 1,-0.3 -1,-0.2 0.773 89.0 67.0 -60.1 -29.3 24.1 27.0 6.4 288 294 A D G 3 S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.760 105.4 44.3 -57.9 -26.1 21.9 27.0 3.2 289 295 A K G < S+ 0 0 115 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.462 85.6 114.2-106.8 -3.1 24.7 25.0 1.5 290 296 A R S < S- 0 0 7 -3,-0.8 -8,-0.2 -4,-0.5 2,-0.1 -0.323 74.8-101.4 -65.5 148.5 25.6 22.4 4.2 291 297 A I - 0 0 18 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.443 37.9-130.4 -64.8 143.2 24.8 18.7 3.6 292 298 A T > - 0 0 52 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.533 21.1-108.8 -91.6 164.9 21.7 17.4 5.4 293 299 A A H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -159,-0.2 0.915 120.7 50.6 -58.4 -44.7 21.6 14.3 7.5 294 300 A A H > S+ 0 0 53 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.904 114.6 43.5 -60.9 -44.4 19.5 12.5 4.9 295 301 A Q H >4 S+ 0 0 113 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.901 111.9 53.7 -65.9 -43.1 22.0 13.4 2.2 296 302 A A H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 6,-0.3 0.841 99.4 61.6 -64.1 -35.2 25.0 12.6 4.4 297 303 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.2 51.0 -58.1 -30.5 23.7 9.1 5.1 298 304 A A T << S+ 0 0 64 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.420 84.6 118.1 -87.6 -1.4 24.0 8.4 1.3 299 305 A H S X S- 0 0 21 -3,-1.5 3,-2.1 -4,-0.2 7,-0.1 -0.430 77.6-116.9 -69.1 142.1 27.6 9.7 1.2 300 306 A A G > S+ 0 0 55 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.760 107.1 75.0 -50.9 -32.9 30.1 7.0 0.1 301 307 A Y G 3 S+ 0 0 5 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.789 98.5 46.0 -51.0 -32.3 32.0 7.2 3.4 302 308 A F G X> S+ 0 0 0 -3,-2.1 4,-2.7 -6,-0.3 3,-1.8 0.096 73.6 127.2-100.7 23.8 29.1 5.2 5.0 303 309 A A T <4 S+ 0 0 79 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.826 72.5 50.0 -49.8 -41.4 28.9 2.6 2.3 304 310 A Q T 34 S+ 0 0 121 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.628 121.9 31.5 -77.8 -13.4 29.2 -0.4 4.7 305 311 A Y T <4 S+ 0 0 56 -3,-1.8 -2,-0.2 -8,-0.1 -1,-0.2 0.643 89.1 111.4-112.9 -22.7 26.4 0.9 7.1 306 312 A H < + 0 0 63 -4,-2.7 -8,-0.1 -7,-0.1 5,-0.0 -0.328 28.7 160.2 -67.1 130.3 24.0 2.7 4.8 307 313 A D > - 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