==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 19-DEC-08 3FLY . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.GHATE . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 66.6 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 12.1 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 . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 28.5 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 3 2 1 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 . 0 1 2 0 2 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 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 0 247 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.5 -3.5 1.4 38.3 2 5 A R - 0 0 95 1,-0.1 3,-0.1 89,-0.0 89,-0.0 -0.507 360.0-137.6 -71.2 123.4 -1.3 3.5 40.5 3 6 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.287 29.3 -93.0 -70.8 165.8 1.9 1.8 41.8 4 7 A T - 0 0 84 -2,-0.0 15,-2.3 1,-0.0 2,-0.3 -0.681 41.0-149.5 -82.0 134.0 3.1 2.1 45.4 5 8 A F E -A 18 0A 28 -2,-0.4 2,-0.3 13,-0.2 11,-0.1 -0.760 8.8-162.9-103.3 148.8 5.7 4.8 46.0 6 9 A Y E -A 17 0A 60 11,-2.4 11,-2.0 -2,-0.3 2,-0.3 -0.969 15.8-125.7-130.0 151.8 8.5 5.0 48.5 7 10 A R E +A 16 0A 162 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.681 28.9 164.8-100.1 147.9 10.5 7.9 49.8 8 11 A Q E -A 15 0A 61 7,-1.5 7,-3.8 -2,-0.3 2,-0.5 -0.914 30.0-134.2-161.5 129.3 14.3 8.4 49.9 9 12 A E E +A 14 0A 138 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.782 42.8 142.1 -89.1 126.1 16.6 11.4 50.5 10 13 A L + 0 0 40 3,-2.4 2,-1.6 -2,-0.5 -1,-0.1 0.578 66.1 27.5-123.4 -84.7 19.5 11.5 47.9 11 14 A N S S- 0 0 57 2,-0.2 3,-0.1 1,-0.2 23,-0.1 -0.433 128.6 -71.6 -86.4 60.9 20.7 14.8 46.5 12 15 A K S S+ 0 0 192 -2,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.645 118.7 100.2 57.0 18.1 19.7 16.8 49.5 13 16 A T S S- 0 0 53 -5,-0.1 -3,-2.4 2,-0.0 2,-0.6 -0.958 80.5-114.0-136.0 145.2 16.2 16.1 48.2 14 17 A I E -A 9 0A 76 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.3 -0.721 29.9-159.6 -82.1 118.9 13.4 13.7 48.9 15 18 A W E -A 8 0A 1 -7,-3.8 -7,-1.5 -2,-0.6 2,-0.6 -0.902 6.6-170.2-102.4 120.8 12.8 11.3 46.0 16 19 A E E +A 7 0A 46 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.0 -0.939 22.3 158.9-113.6 108.7 9.4 9.5 45.9 17 20 A V E -A 6 0A 2 -11,-2.0 -11,-2.4 -2,-0.6 -2,-0.0 -0.892 44.9 -86.6-132.2 153.4 9.4 6.8 43.3 18 21 A P E > -A 5 0A 2 0, 0.0 3,-2.0 0, 0.0 -13,-0.2 -0.283 43.4-112.8 -56.4 146.9 7.5 3.6 42.4 19 22 A E T 3 S+ 0 0 107 -15,-2.3 22,-0.1 1,-0.3 -14,-0.1 0.735 109.7 75.8 -53.6 -30.2 8.7 0.4 44.1 20 23 A R T 3 S+ 0 0 53 -16,-0.2 21,-3.2 20,-0.1 2,-0.7 0.780 82.8 77.7 -54.6 -29.4 9.9 -1.0 40.7 21 24 A Y E < +B 40 0B 0 -3,-2.0 2,-0.3 19,-0.2 19,-0.2 -0.773 66.9 170.5 -90.6 115.4 12.9 1.4 40.9 22 25 A Q E +B 39 0B 72 17,-2.6 17,-3.1 -2,-0.7 -2,-0.0 -0.791 46.3 27.8-124.2 162.6 15.6 0.1 43.3 23 26 A N E S- 0 0 127 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.896 71.9-164.3 54.5 50.4 19.2 0.9 44.3 24 27 A L E + 0 0 11 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.465 13.6 172.7 -68.4 129.7 19.0 4.6 43.4 25 28 A S E -B 37 0B 65 12,-2.6 12,-3.7 -2,-0.2 -15,-0.0 -0.973 33.8-110.5-145.6 125.8 22.4 6.3 43.2 26 29 A P E +B 36 0B 57 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.214 31.6 173.0 -53.4 136.3 23.4 9.9 42.0 27 30 A V E - 0 0 83 8,-2.7 2,-0.2 1,-0.4 9,-0.2 0.304 49.2 -93.2-129.2 4.2 25.2 10.1 38.7 28 31 A G E -B 35 0B 41 7,-0.8 7,-2.7 2,-0.0 -1,-0.4 -0.676 59.9 -21.3 121.4-169.9 25.4 13.9 38.1 29 32 A S E +B 34 0B 125 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.563 47.8 178.5 -83.6 137.8 23.7 16.8 36.5 30 33 A G E > -B 33 0B 28 3,-2.8 3,-1.1 -2,-0.3 2,-0.5 -0.637 51.3 -56.5-117.3-176.2 21.2 16.6 33.6 31 34 A A T 3 S- 0 0 20 1,-0.3 134,-0.1 -2,-0.2 3,-0.0 -0.535 120.1 -15.9 -67.2 113.3 19.3 19.2 31.7 32 35 A Y T 3 S+ 0 0 74 -2,-0.5 21,-1.6 20,-0.1 2,-0.3 0.650 132.8 35.6 69.7 20.8 17.2 21.1 34.3 33 36 A G E < S-BC 30 52B 12 -3,-1.1 -3,-2.8 19,-0.2 2,-0.3 -0.968 85.4 -82.5 177.2 169.3 17.5 18.5 37.1 34 37 A S E -BC 29 51B 33 17,-1.1 17,-1.7 -2,-0.3 2,-0.4 -0.665 37.8-139.4 -92.0 147.1 19.6 15.9 38.8 35 38 A V E -BC 28 50B 22 -7,-2.7 -8,-2.7 -2,-0.3 -7,-0.8 -0.880 13.6-168.5-112.7 134.1 20.0 12.3 37.6 36 39 A C E -BC 26 49B 0 13,-2.7 13,-3.6 -2,-0.4 2,-0.3 -0.963 18.3-133.7-117.8 138.7 20.1 9.0 39.5 37 40 A A E +BC 25 48B 16 -12,-3.7 -12,-2.6 -2,-0.4 2,-0.3 -0.641 37.5 163.3 -80.3 146.1 21.0 5.6 38.3 38 41 A A E - C 0 47B 7 9,-2.1 9,-2.8 -2,-0.3 2,-0.6 -0.974 40.0-110.9-155.4 166.2 18.6 2.8 39.3 39 42 A F E -BC 22 46B 77 -17,-3.1 -17,-2.6 -2,-0.3 2,-1.0 -0.941 23.4-148.4-105.6 119.5 17.6 -0.7 38.6 40 43 A D E >>> -BC 21 45B 1 5,-2.7 4,-2.5 -2,-0.6 3,-0.7 -0.783 9.0-167.5 -86.4 103.9 14.1 -1.1 37.0 41 44 A T T 345S+ 0 0 74 -21,-3.2 -1,-0.2 -2,-1.0 -20,-0.1 0.724 82.4 59.5 -66.2 -22.2 12.9 -4.4 38.4 42 45 A K T 345S+ 0 0 146 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.807 122.5 19.1 -76.5 -31.0 10.0 -4.5 35.9 43 46 A T T <45S- 0 0 71 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.1 0.555 95.9-125.3-114.2 -16.3 12.2 -4.4 32.7 44 47 A G T <5 + 0 0 46 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.637 65.6 137.5 74.3 15.7 15.5 -5.5 34.1 45 48 A L E < -C 40 0B 61 -5,-0.6 -5,-2.7 59,-0.0 2,-0.5 -0.709 60.3-125.7 -95.7 142.6 17.1 -2.3 32.7 46 49 A R E -C 39 0B 179 -2,-0.3 59,-2.5 -7,-0.2 2,-0.3 -0.783 44.8-168.1 -77.9 126.6 19.6 -0.0 34.3 47 50 A V E -CD 38 104B 0 -9,-2.8 -9,-2.1 -2,-0.5 2,-0.5 -0.851 28.0-133.2-125.6 154.6 17.9 3.3 34.2 48 51 A A E -CD 37 103B 12 55,-3.4 55,-2.5 -2,-0.3 2,-0.6 -0.948 23.0-162.4-103.8 123.3 18.6 7.0 34.6 49 52 A V E -CD 36 102B 1 -13,-3.6 -13,-2.7 -2,-0.5 2,-0.6 -0.941 2.8-165.4-109.2 118.7 15.9 8.8 36.7 50 53 A K E -CD 35 101B 22 51,-3.4 51,-3.0 -2,-0.6 2,-0.6 -0.913 5.6-161.4-106.5 119.2 15.8 12.6 36.5 51 54 A K E -CD 34 100B 21 -17,-1.7 -17,-1.1 -2,-0.6 49,-0.2 -0.892 23.8-130.9 -93.4 118.6 13.8 14.6 39.1 52 55 A L E -C 33 0B 4 47,-2.2 2,-0.5 -2,-0.6 47,-0.3 -0.475 17.7-126.3 -69.3 136.4 13.2 18.1 37.7 53 56 A S S S- 0 0 57 -21,-1.6 -1,-0.1 1,-0.2 45,-0.0 -0.770 80.0 -23.7 -88.8 126.8 14.0 20.9 40.1 54 57 A R S > S- 0 0 178 -2,-0.5 3,-1.1 1,-0.1 -1,-0.2 0.898 74.9-176.7 33.4 69.7 11.1 23.4 40.7 55 58 A P T 3 S+ 0 0 4 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.711 76.6 34.0 -66.0 -22.5 9.4 22.5 37.3 56 59 A F T 3 S+ 0 0 27 41,-0.3 -2,-0.1 1,-0.1 278,-0.1 -0.081 77.2 114.9-127.2 34.5 6.6 25.1 37.8 57 60 A Q S < S+ 0 0 116 -3,-1.1 2,-0.3 1,-0.1 -1,-0.1 0.697 87.3 6.4 -79.1 -20.5 8.3 28.0 39.6 58 61 A S S > S- 0 0 36 -4,-0.2 4,-3.2 -3,-0.1 5,-0.2 -0.950 79.3-101.9-150.3 169.0 7.8 30.4 36.7 59 62 A I H > S+ 0 0 84 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.921 124.0 50.5 -59.3 -44.4 6.2 30.6 33.2 60 63 A I H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 114.6 43.4 -58.7 -46.8 9.6 30.0 31.6 61 64 A H H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 114.0 50.0 -65.7 -46.1 10.2 26.9 33.9 62 65 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.903 113.5 45.6 -59.7 -44.4 6.7 25.6 33.4 63 66 A K H X S+ 0 0 38 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.876 112.0 51.9 -67.1 -38.5 6.9 25.9 29.6 64 67 A R H X S+ 0 0 41 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.856 108.9 50.9 -66.6 -36.2 10.4 24.3 29.6 65 68 A T H X S+ 0 0 3 -4,-2.2 4,-2.2 -10,-0.4 -2,-0.2 0.946 112.8 45.6 -64.7 -49.3 9.1 21.4 31.7 66 69 A Y H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.907 112.3 52.8 -57.9 -45.0 6.3 20.9 29.2 67 70 A R H X S+ 0 0 46 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.926 109.4 47.1 -58.2 -50.2 8.7 21.2 26.3 68 71 A E H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.900 113.2 48.6 -61.7 -42.7 11.1 18.6 27.6 69 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.933 112.0 48.7 -64.0 -45.0 8.3 16.1 28.3 70 73 A R H X S+ 0 0 38 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.921 113.4 47.7 -58.5 -46.3 6.8 16.6 24.8 71 74 A L H X S+ 0 0 6 -4,-2.6 4,-1.4 -5,-0.2 3,-0.3 0.948 114.7 44.3 -59.7 -51.4 10.2 16.1 23.2 72 75 A L H < S+ 0 0 21 -4,-2.5 11,-0.9 1,-0.2 -2,-0.2 0.856 111.0 54.1 -65.6 -38.4 11.0 13.0 25.1 73 76 A K H < S+ 0 0 42 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.818 110.0 49.4 -63.1 -30.8 7.6 11.5 24.7 74 77 A H H < S+ 0 0 35 -4,-1.5 2,-0.6 -3,-0.3 243,-0.2 0.816 86.7 94.9 -79.0 -32.3 7.9 11.9 20.9 75 78 A M < + 0 0 4 -4,-1.4 8,-0.4 -5,-0.1 2,-0.3 -0.502 36.4 159.2 -77.0 113.2 11.3 10.4 20.3 76 79 A K + 0 0 164 -2,-0.6 2,-0.3 6,-0.1 -1,-0.1 -0.677 32.4 114.8-131.0 77.2 11.2 6.7 19.3 77 80 A H > - 0 0 18 3,-0.4 3,-1.8 -2,-0.3 57,-0.0 -0.997 67.5-124.0-150.1 141.9 14.5 5.9 17.6 78 81 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.770 112.1 43.6 -55.6 -33.2 17.5 3.7 18.4 79 82 A N T 3 S+ 0 0 5 83,-0.1 84,-1.9 51,-0.1 2,-0.4 0.154 105.2 73.7-104.2 16.1 20.0 6.5 18.2 80 83 A V B < S-f 163 0C 2 -3,-1.8 -3,-0.4 82,-0.3 84,-0.2 -0.991 90.1-103.4-130.4 137.7 17.9 9.1 20.2 81 84 A I - 0 0 23 82,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.358 45.2-165.6 -55.3 133.5 17.2 9.1 23.9 82 85 A G - 0 0 17 -4,-0.1 2,-0.7 -6,-0.1 22,-0.3 -0.812 23.8-104.3-122.6 165.6 13.7 7.9 24.6 83 86 A L + 0 0 13 -11,-0.9 20,-0.2 -8,-0.4 3,-0.1 -0.811 29.5 175.4 -94.7 116.0 11.3 8.0 27.5 84 87 A L S S- 0 0 23 18,-2.7 2,-0.3 -2,-0.7 19,-0.2 0.810 72.6 -12.5 -81.2 -35.6 11.0 4.7 29.4 85 88 A D E -E 102 0B 23 17,-1.4 17,-2.8 261,-0.1 -1,-0.4 -0.980 51.1-164.5-161.7 153.1 8.7 6.2 32.1 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.972 25.4 166.8-140.6 134.4 7.4 9.4 33.5 87 90 A F E -E 100 0B 14 13,-1.9 13,-2.3 -2,-0.3 255,-0.1 -0.969 24.8-164.0-146.5 162.8 5.7 9.7 36.9 88 91 A T - 0 0 12 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.982 24.2-139.2-140.0 140.7 4.5 11.9 39.7 89 92 A P S S+ 0 0 19 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.677 73.8 112.9 -69.6 -16.3 3.6 10.8 43.2 90 93 A A - 0 0 9 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.254 55.9-160.0 -56.6 139.7 0.6 13.3 42.9 91 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.526 75.2 15.5 -97.6 -10.9 -2.9 11.7 42.8 92 95 A S S S- 0 0 33 1,-0.1 3,-0.4 0, 0.0 4,-0.3 -0.962 82.1-101.7-153.3 165.9 -4.5 14.7 41.2 93 96 A L S > S+ 0 0 54 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.847 117.8 62.4 -57.3 -36.4 -3.7 17.9 39.3 94 97 A E T 3 S+ 0 0 158 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.866 111.4 34.8 -60.0 -40.9 -4.3 19.9 42.6 95 98 A E T 3 S+ 0 0 98 -3,-0.4 2,-0.5 -6,-0.0 -1,-0.3 0.297 88.2 127.2 -97.4 8.7 -1.4 18.1 44.4 96 99 A F < + 0 0 0 -3,-1.0 3,-0.1 -4,-0.3 242,-0.1 -0.549 16.4 130.6 -74.0 116.1 0.8 17.9 41.3 97 100 A N + 0 0 97 -2,-0.5 2,-0.4 1,-0.3 -41,-0.3 0.563 52.8 57.8-135.6 -30.0 4.2 19.4 42.0 98 101 A D - 0 0 51 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.889 52.1-163.2-121.4 144.3 7.0 17.0 40.9 99 102 A V - 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0 0 35 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.348 29.0-146.1 -54.5 132.0 39.2 20.0 19.3 218 222 A L S S+ 0 0 33 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.943 90.7 17.0 -69.1 -49.4 38.7 21.5 15.8 219 223 A F + 0 0 4 -36,-0.3 2,-2.4 2,-0.1 -1,-0.2 -0.599 69.6 172.9-126.1 69.8 38.0 25.0 16.9 220 224 A P - 0 0 38 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.334 20.4-175.9 -79.0 61.4 39.2 25.4 20.5 221 225 A G - 0 0 0 -2,-2.4 -42,-0.4 1,-0.1 -39,-0.1 -0.254 30.6-145.2 -62.2 142.9 38.5 29.2 20.7 222 226 A T S S- 0 0 70 1,-0.2 2,-0.3 -44,-0.2 -44,-0.2 0.562 84.8 -11.9 -82.4 -11.9 39.5 31.1 23.8 223 227 A D S > S- 0 0 66 -46,-0.1 4,-2.8 -47,-0.1 5,-0.2 -0.934 89.6 -77.0-170.6 176.2 36.4 33.3 23.2 224 228 A H H > S+ 0 0 56 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.883 128.2 43.6 -52.9 -47.2 33.8 34.1 20.5 225 229 A I H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 113.6 49.4 -69.4 -46.2 36.2 36.2 18.4 226 230 A D H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.918 112.4 49.8 -58.1 -43.2 39.2 33.9 18.7 227 231 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.898 107.7 52.7 -64.4 -41.7 36.9 30.9 17.7 228 232 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.915 108.4 51.4 -58.4 -42.9 35.5 32.8 14.7 229 233 A K H X S+ 0 0 112 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.905 109.8 49.4 -61.5 -42.4 39.1 33.5 13.5 230 234 A L H X S+ 0 0 59 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.911 113.5 47.5 -60.4 -44.3 39.9 29.7 13.9 231 235 A I H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.5 0.955 112.7 46.4 -61.8 -52.1 36.8 28.9 11.9 232 236 A L H 3X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.790 105.2 61.4 -66.8 -28.4 37.4 31.4 9.1 233 237 A R H 3< S+ 0 0 158 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.895 113.8 36.1 -61.9 -39.8 41.1 30.3 8.8 234 238 A L H << S+ 0 0 9 -4,-1.3 30,-2.8 -3,-0.5 -2,-0.2 0.940 130.4 27.1 -76.7 -51.1 39.8 26.8 7.9 235 239 A V H < S- 0 0 20 -4,-2.5 28,-0.4 28,-0.2 52,-0.3 0.498 110.0-111.9 -98.9 -5.1 36.7 27.5 5.8 236 240 A G < - 0 0 5 -4,-1.8 -1,-0.2 26,-0.4 -3,-0.1 0.071 37.9 -67.2 91.7 155.1 37.5 30.9 4.4 237 241 A T - 0 0 25 24,-2.0 26,-0.1 1,-0.1 50,-0.1 -0.428 69.2 -86.2 -71.2 153.6 36.0 34.4 5.0 238 242 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.286 39.2-132.2 -67.3 148.2 32.4 34.8 3.8 239 243 A G > - 0 0 44 -3,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.337 34.9 -92.1 -85.5 175.1 31.6 35.8 0.2 240 244 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.834 123.7 60.1 -55.4 -36.3 29.1 38.5 -0.9 241 245 A E H > S+ 0 0 96 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.933 110.1 37.9 -61.5 -51.5 26.4 35.8 -1.1 242 246 A L H >> S+ 0 0 8 1,-0.2 3,-1.4 -3,-0.2 4,-0.7 0.899 109.8 62.5 -67.0 -41.9 26.6 34.8 2.5 243 247 A L H >< S+ 0 0 25 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.857 98.8 56.2 -51.9 -40.5 27.1 38.4 3.7 244 248 A K H 3< S+ 0 0 159 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.782 103.3 55.7 -60.1 -30.6 23.7 39.4 2.3 245 249 A K H << S+ 0 0 61 -3,-1.4 2,-1.3 -4,-0.6 -1,-0.2 0.598 79.2 97.5 -83.2 -14.1 22.1 36.6 4.5 246 250 A I << - 0 0 0 -3,-0.9 -52,-0.2 -4,-0.7 6,-0.2 -0.664 55.4-174.5 -75.5 95.9 23.6 38.0 7.7 247 251 A S + 0 0 89 -2,-1.3 2,-0.7 -54,-0.6 -1,-0.2 0.734 59.5 91.5 -69.4 -25.1 20.5 40.0 8.7 248 252 A S > - 0 0 43 -55,-1.6 4,-2.3 1,-0.2 5,-0.2 -0.656 64.4-161.0 -71.5 111.4 22.3 41.5 11.7 249 253 A E H > S+ 0 0 148 -2,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.822 89.4 52.9 -63.5 -33.4 23.7 44.7 10.3 250 254 A S H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.953 111.5 42.6 -67.9 -52.5 26.2 44.9 13.2 251 255 A A H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 113.2 53.6 -60.4 -44.6 27.6 41.4 12.7 252 256 A R H X S+ 0 0 71 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.912 108.1 50.9 -56.3 -46.1 27.7 41.9 8.9 253 257 A N H < S+ 0 0 115 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.854 109.5 49.5 -61.7 -39.4 29.7 45.1 9.3 254 258 A Y H >< S+ 0 0 76 -4,-1.8 3,-1.4 1,-0.2 4,-0.5 0.909 105.3 57.9 -66.8 -42.6 32.3 43.4 11.6 255 259 A I H >< S+ 0 0 6 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.885 101.8 54.8 -53.6 -42.9 32.8 40.5 9.2 256 260 A Q T 3< S+ 0 0 127 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.617 96.5 66.8 -70.5 -13.8 33.8 42.9 6.4 257 261 A S T < S+ 0 0 79 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.646 84.1 94.1 -78.4 -16.5 36.6 44.4 8.6 258 262 A L S < S- 0 0 33 -3,-1.5 2,-0.1 -4,-0.5 3,-0.1 -0.596 87.9-108.2 -83.2 136.4 38.4 41.0 8.5 259 263 A T - 0 0 125 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.404 45.7-105.8 -59.2 131.0 41.2 40.4 6.0 260 264 A Q - 0 0 162 -4,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 -0.329 39.8-172.7 -66.5 142.0 39.9 38.0 3.4 261 265 A M - 0 0 65 -29,-0.1 -24,-2.0 -3,-0.1 2,-0.1 -0.996 19.3-125.7-135.3 139.3 41.2 34.4 3.6 262 266 A P - 0 0 110 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.484 40.1 -89.8 -78.6 156.7 40.7 31.5 1.2 263 267 A K - 0 0 99 -28,-0.4 -28,-0.2 -2,-0.1 -29,-0.1 -0.398 49.0-119.7 -58.3 137.4 39.4 28.1 2.3 264 268 A M - 0 0 61 -30,-2.8 2,-0.8 -31,-0.2 -1,-0.1 -0.338 26.1 -97.2 -76.8 162.7 42.2 25.8 3.4 265 269 A N >> - 0 0 91 1,-0.2 3,-1.2 -2,-0.1 4,-0.9 -0.768 30.5-157.8 -80.9 110.4 43.0 22.4 1.8 266 270 A F H 3> S+ 0 0 1 -2,-0.8 4,-3.0 1,-0.3 -1,-0.2 0.781 90.0 62.6 -63.2 -30.2 41.3 19.9 4.1 267 271 A A H 34 S+ 0 0 52 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.783 106.6 46.1 -63.5 -28.9 43.7 17.1 2.9 268 272 A N H <4 S+ 0 0 113 -3,-1.2 3,-0.4 3,-0.1 -1,-0.2 0.662 114.0 48.3 -85.8 -19.4 46.5 19.1 4.4 269 273 A V H < S+ 0 0 51 -4,-0.9 2,-0.7 1,-0.2 -2,-0.2 0.892 116.8 40.4 -83.5 -44.4 44.6 19.8 7.6 270 274 A F S >< S- 0 0 9 -4,-3.0 3,-1.8 -5,-0.1 -1,-0.2 -0.552 86.3-167.2-106.2 65.1 43.6 16.2 8.2 271 275 A I T 3 + 0 0 131 -2,-0.7 -3,-0.1 -3,-0.4 3,-0.1 -0.287 69.8 9.7 -57.8 127.4 46.8 14.4 7.2 272 276 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -5,-0.3 2,-0.1 0.272 93.9 136.2 89.4 -9.8 46.4 10.6 6.8 273 277 A A < - 0 0 26 -3,-1.8 -1,-0.3 -6,-0.2 5,-0.1 -0.359 69.7 -85.1 -72.2 148.3 42.6 10.6 7.0 274 278 A N >> - 0 0 45 1,-0.2 4,-2.2 -3,-0.1 3,-0.7 -0.292 35.8-131.9 -44.2 123.4 40.4 8.6 4.7 275 279 A P H 3> S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.814 110.0 55.8 -53.0 -31.2 39.9 10.8 1.6 276 280 A L H 3> S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.830 106.0 50.0 -69.9 -34.8 36.1 10.0 1.9 277 281 A A H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.906 110.6 49.7 -66.0 -43.5 36.2 11.4 5.5 278 282 A V H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 110.1 51.3 -60.2 -45.6 37.9 14.5 4.2 279 283 A D H X S+ 0 0 51 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.906 111.0 47.1 -58.9 -45.1 35.3 14.9 1.5 280 284 A L H >X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.6 0.924 109.4 53.3 -65.1 -45.2 32.4 14.6 4.0 281 285 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.3 0.890 106.1 54.3 -53.9 -42.8 34.0 17.1 6.4 282 286 A E H 3< S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 110.5 46.8 -61.7 -30.6 34.3 19.6 3.5 283 287 A K H << S+ 0 0 87 -4,-1.1 10,-2.4 -3,-0.6 3,-0.3 0.693 116.9 42.3 -87.0 -22.1 30.5 19.2 2.9 284 288 A M H < S+ 0 0 0 -4,-1.6 2,-1.2 -3,-0.3 -2,-0.2 0.839 107.6 60.0 -87.7 -40.3 29.6 19.5 6.6 285 289 A L S < S+ 0 0 4 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.404 70.5 138.1 -93.3 58.2 31.9 22.4 7.4 286 290 A V - 0 0 41 -2,-1.2 6,-0.2 -3,-0.3 5,-0.1 -0.883 50.9-142.2-102.5 132.5 30.6 25.0 5.0 287 291 A L S S+ 0 0 16 -2,-0.4 2,-0.7 -52,-0.3 -99,-0.2 0.924 88.8 70.6 -62.4 -46.3 30.2 28.5 6.3 288 292 A D S > S- 0 0 12 1,-0.2 3,-1.8 -3,-0.1 4,-0.4 -0.638 74.5-155.8 -75.3 111.0 26.9 29.2 4.4 289 293 A S G > S+ 0 0 6 -2,-0.7 3,-1.2 1,-0.3 -1,-0.2 0.810 88.2 66.5 -60.8 -34.8 24.4 27.0 6.2 290 294 A D G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.729 105.1 45.8 -52.9 -26.4 22.1 26.9 3.1 291 295 A K G < S+ 0 0 118 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.462 85.2 113.7-105.6 -4.3 24.9 24.9 1.4 292 296 A R S < S- 0 0 7 -3,-1.2 -8,-0.2 -4,-0.4 -9,-0.1 -0.350 76.9-100.2 -64.8 147.2 25.8 22.4 4.1 293 297 A I - 0 0 17 -10,-2.4 2,-0.1 -13,-0.2 -1,-0.1 -0.404 39.2-128.6 -63.1 143.3 25.0 18.7 3.5 294 298 A T > - 0 0 53 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.442 21.0-108.4 -86.7 169.5 21.8 17.5 5.3 295 299 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -159,-0.2 0.944 120.6 50.5 -64.1 -46.7 21.6 14.4 7.5 296 300 A A H > S+ 0 0 54 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.893 113.8 45.3 -56.6 -43.3 19.7 12.5 4.9 297 301 A Q H >4 S+ 0 0 111 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.901 109.6 54.4 -67.7 -42.2 22.2 13.4 2.2 298 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 6,-0.3 0.854 100.0 61.4 -62.4 -36.4 25.2 12.6 4.5 299 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 103.8 50.2 -57.9 -34.0 23.9 9.1 5.2 300 304 A A T << S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.420 85.7 117.7 -86.0 -0.2 24.1 8.3 1.4 301 305 A H S X S- 0 0 23 -3,-1.6 3,-2.1 -4,-0.2 7,-0.1 -0.425 77.8-117.4 -69.4 144.7 27.7 9.5 1.3 302 306 A A G > S+ 0 0 57 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.706 107.6 75.2 -60.3 -22.5 30.3 6.9 0.3 303 307 A Y G 3 S+ 0 0 3 -27,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.803 100.2 44.4 -57.2 -29.7 32.1 7.2 3.7 304 308 A F G X> S+ 0 0 0 -3,-2.1 4,-3.0 -6,-0.3 3,-1.8 0.117 74.8 126.7-103.3 21.6 29.2 5.2 5.2 305 309 A A T <4 S+ 0 0 78 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.805 73.3 48.9 -48.0 -41.3 28.9 2.6 2.4 306 310 A Q T 34 S+ 0 0 114 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.639 122.1 32.0 -79.7 -14.9 29.2 -0.4 4.9 307 311 A Y T <4 S+ 0 0 70 -3,-1.8 -2,-0.2 -8,-0.1 -1,-0.2 0.703 88.8 109.4-109.6 -29.5 26.5 0.9 7.2 308 312 A H < + 0 0 61 -4,-3.0 5,-0.1 -7,-0.1 -8,-0.1 -0.264 31.7 162.9 -59.7 128.0 24.0 2.8 5.0 309 313 A D > - 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