==== 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 3FMN . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.GHATE . 341 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 65.4 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 . 39 11.4 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 . 2 0.6 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 . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 29.9 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+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 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 1 2 1 2 0 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 4 A E 0 0 241 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.7 -3.6 1.3 38.8 2 5 A R - 0 0 91 1,-0.1 3,-0.1 86,-0.0 86,-0.0 -0.620 360.0-132.3 -76.7 127.5 -1.2 3.5 40.8 3 6 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.259 28.8 -94.3 -70.6 166.6 2.0 1.8 41.9 4 7 A T - 0 0 85 -2,-0.0 15,-2.2 1,-0.0 2,-0.3 -0.705 40.7-150.7 -82.5 133.7 3.3 2.0 45.4 5 8 A F E -A 18 0A 28 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.800 7.9-162.2-103.9 146.8 5.9 4.8 45.9 6 9 A Y E -A 17 0A 60 11,-2.5 11,-2.0 -2,-0.3 2,-0.3 -0.945 15.0-128.0-126.2 154.7 8.8 4.8 48.5 7 10 A R E +A 16 0A 153 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.757 28.2 163.9-108.7 147.0 10.8 7.8 49.7 8 11 A Q E -A 15 0A 66 7,-1.7 7,-3.6 -2,-0.3 2,-0.5 -0.967 31.0-132.2-159.2 137.3 14.6 8.3 49.9 9 12 A E E +A 14 0A 119 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.865 41.4 145.3 -95.9 126.8 17.0 11.3 50.3 10 13 A L S S+ 0 0 41 3,-2.1 2,-0.7 -2,-0.5 -1,-0.1 0.683 70.8 24.6-122.9 -71.6 19.8 11.3 47.8 11 14 A N S S- 0 0 59 2,-0.4 3,-0.1 1,-0.1 20,-0.0 -0.405 126.5 -76.2 -97.2 54.9 21.0 14.7 46.5 12 15 A K S S+ 0 0 187 -2,-0.7 2,-0.4 1,-0.2 -1,-0.1 0.743 116.5 106.5 50.2 25.6 19.8 16.5 49.7 13 16 A T S S- 0 0 48 -5,-0.0 -3,-2.1 2,-0.0 2,-0.8 -0.979 78.4-118.3-132.1 141.3 16.5 16.0 47.9 14 17 A I E -A 9 0A 78 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.738 27.6-161.0 -85.4 111.0 13.6 13.6 48.7 15 18 A W E -A 8 0A 1 -7,-3.6 -7,-1.7 -2,-0.8 2,-0.6 -0.828 5.6-169.9 -92.3 123.2 13.1 11.2 45.8 16 19 A E E +A 7 0A 44 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.948 22.1 158.6-116.5 108.3 9.7 9.5 45.8 17 20 A V E -A 6 0A 3 -11,-2.0 -11,-2.5 -2,-0.6 -2,-0.0 -0.907 44.3 -87.9-132.8 153.1 9.6 6.7 43.1 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.273 42.4-112.4 -58.0 148.5 7.7 3.5 42.3 19 22 A E T 3 S+ 0 0 108 -15,-2.2 19,-0.1 1,-0.3 -14,-0.1 0.746 109.7 74.7 -54.7 -31.9 9.0 0.3 43.9 20 23 A R T 3 S+ 0 0 59 -16,-0.2 18,-2.9 17,-0.1 2,-0.7 0.807 84.0 76.8 -53.2 -31.8 10.0 -1.2 40.6 21 24 A Y E < +B 37 0B 1 -3,-1.9 2,-0.3 16,-0.2 16,-0.2 -0.753 67.6 170.3 -89.1 116.2 13.0 1.2 40.6 22 25 A Q E +B 36 0B 73 14,-2.5 14,-3.0 -2,-0.7 -2,-0.0 -0.797 45.8 29.2-124.2 162.1 15.7 0.0 43.0 23 26 A N E S- 0 0 123 -2,-0.3 2,-0.2 12,-0.2 -1,-0.2 0.881 70.3-165.9 57.7 47.0 19.3 0.8 43.9 24 27 A L E + 0 0 12 -3,-0.2 11,-0.2 11,-0.1 -1,-0.2 -0.473 11.4 175.4 -66.5 126.9 19.1 4.6 43.1 25 28 A S E -B 34 0B 66 9,-2.6 9,-3.5 -2,-0.2 -15,-0.0 -0.994 31.6-113.1-138.2 127.5 22.6 6.1 42.9 26 29 A P E +B 33 0B 55 0, 0.0 7,-0.3 0, 0.0 5,-0.0 -0.272 37.3 163.0 -57.7 140.0 23.4 9.8 41.9 27 30 A V 0 0 93 5,-2.4 6,-0.2 1,-0.4 18,-0.0 0.480 360.0 360.0-128.3 -21.2 25.3 10.2 38.6 28 31 A G 0 0 70 4,-1.6 4,-2.9 0, 0.0 -1,-0.4 -0.985 360.0 360.0-173.7 360.0 24.8 13.9 37.9 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 36 A G 0 0 48 0, 0.0 2,-0.2 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 167.0 17.4 18.5 37.4 31 37 A S E - C 0 48B 30 17,-1.2 17,-2.4 -20,-0.0 2,-0.4 -0.602 360.0-147.0 -83.6 143.6 19.3 15.7 39.3 32 38 A V E - C 0 47B 37 -4,-2.9 -5,-2.4 -2,-0.2 -4,-1.6 -0.934 13.1-172.8-117.0 134.0 19.9 12.4 37.7 33 39 A C E -BC 26 46B 0 13,-2.7 13,-3.5 -2,-0.4 2,-0.3 -0.971 20.6-133.4-122.1 140.6 20.1 8.9 39.3 34 40 A A E +BC 25 45B 16 -9,-3.5 -9,-2.6 -2,-0.4 2,-0.3 -0.671 38.6 165.7 -80.4 145.1 21.1 5.6 38.0 35 41 A A E - C 0 44B 7 9,-2.4 9,-2.9 -2,-0.3 2,-0.6 -0.970 38.9-113.9-154.1 166.0 18.7 2.8 38.9 36 42 A F E -BC 22 43B 78 -14,-3.0 -14,-2.5 -2,-0.3 2,-1.0 -0.949 22.6-147.7-108.0 118.3 17.7 -0.8 38.2 37 43 A D E >>> -BC 21 42B 3 5,-2.8 4,-2.7 -2,-0.6 5,-0.6 -0.762 9.7-167.4 -85.1 103.2 14.2 -1.2 36.7 38 44 A T T 345S+ 0 0 73 -18,-2.9 -1,-0.2 -2,-1.0 -17,-0.1 0.715 82.5 58.9 -66.2 -22.1 13.1 -4.5 38.1 39 45 A K T 345S+ 0 0 148 -19,-0.2 -1,-0.2 1,-0.1 -18,-0.1 0.850 122.0 20.5 -74.6 -36.5 10.1 -4.6 35.8 40 46 A T T <45S- 0 0 72 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.599 96.0-125.7-108.1 -17.8 12.1 -4.5 32.5 41 47 A G T <5 + 0 0 47 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.602 65.4 137.8 77.2 13.0 15.5 -5.6 33.7 42 48 A L E < -C 37 0B 62 -5,-0.6 -5,-2.8 59,-0.0 2,-0.5 -0.673 59.7-126.1 -92.5 143.2 17.0 -2.4 32.3 43 49 A R E -C 36 0B 178 -2,-0.3 59,-2.4 -7,-0.2 2,-0.3 -0.786 44.7-169.8 -79.4 126.8 19.6 -0.2 33.9 44 50 A V E -CD 35 101B 0 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.5 -0.830 28.7-135.0-125.9 158.2 17.9 3.3 33.8 45 51 A A E -CD 34 100B 16 55,-2.7 55,-2.2 -2,-0.3 2,-0.5 -0.972 21.9-160.6-110.1 125.1 18.6 7.0 34.4 46 52 A V E -CD 33 99B 0 -13,-3.5 -13,-2.7 -2,-0.5 2,-0.6 -0.930 2.7-163.9-110.4 122.8 16.0 8.8 36.4 47 53 A K E -CD 32 98B 42 51,-3.3 51,-2.8 -2,-0.5 2,-0.6 -0.923 3.5-162.0-110.6 117.1 15.8 12.6 36.2 48 54 A K E -CD 31 97B 20 -17,-2.4 -17,-1.2 -2,-0.6 49,-0.2 -0.886 22.8-130.8 -95.7 119.1 13.9 14.6 38.8 49 55 A L - 0 0 13 47,-2.3 2,-0.5 -2,-0.6 47,-0.3 -0.457 17.6-127.1 -70.1 136.2 13.1 18.1 37.5 50 56 A S S S- 0 0 83 1,-0.2 -1,-0.1 -2,-0.2 45,-0.0 -0.778 78.5 -25.1 -90.1 124.8 14.0 20.9 39.9 51 57 A R S > S- 0 0 170 -2,-0.5 3,-1.3 1,-0.1 -1,-0.2 0.890 74.8-174.5 38.6 65.7 11.1 23.3 40.7 52 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.712 76.1 34.1 -64.0 -23.8 9.4 22.6 37.4 53 59 A F T 3 S+ 0 0 17 41,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.077 75.1 119.9-125.2 34.2 6.6 25.2 37.8 54 60 A Q S < S+ 0 0 78 -3,-1.3 2,-0.3 2,-0.0 -1,-0.1 0.756 85.3 2.1 -72.8 -26.7 8.4 28.1 39.6 55 61 A S S > S- 0 0 36 -4,-0.2 4,-2.7 -3,-0.2 5,-0.2 -0.912 79.5 -98.3-147.0 174.4 7.7 30.6 36.8 56 62 A I H > S+ 0 0 81 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.937 124.3 49.6 -59.4 -47.9 6.0 30.8 33.4 57 63 A I H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 114.9 43.6 -59.2 -45.0 9.4 30.3 31.6 58 64 A H H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 112.4 51.5 -68.9 -42.1 10.2 27.2 33.8 59 65 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.902 111.9 47.3 -62.3 -42.3 6.7 25.7 33.5 60 66 A K H X S+ 0 0 31 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.886 110.8 52.4 -64.5 -40.4 6.8 26.0 29.7 61 67 A R H X S+ 0 0 139 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.870 108.5 50.5 -63.4 -39.6 10.3 24.5 29.7 62 68 A T H X S+ 0 0 9 -4,-2.2 4,-2.2 -10,-0.4 -2,-0.2 0.938 112.7 46.0 -63.4 -48.1 9.0 21.5 31.7 63 69 A Y H X S+ 0 0 10 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.932 112.7 52.1 -57.3 -47.3 6.2 21.0 29.3 64 70 A R H X S+ 0 0 59 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.908 109.7 47.3 -56.7 -48.2 8.7 21.4 26.3 65 71 A E H X S+ 0 0 34 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.908 113.6 47.9 -64.3 -42.4 11.1 18.8 27.7 66 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.923 112.2 49.3 -63.5 -45.1 8.2 16.3 28.4 67 73 A R H X S+ 0 0 38 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.917 113.4 47.1 -58.6 -46.2 6.7 16.8 24.9 68 74 A L H X S+ 0 0 11 -4,-2.5 4,-1.6 -5,-0.2 3,-0.3 0.940 114.6 45.1 -61.4 -50.6 10.1 16.3 23.2 69 75 A L H < S+ 0 0 21 -4,-2.5 11,-0.9 1,-0.2 -2,-0.2 0.876 111.2 53.4 -63.1 -40.4 11.0 13.2 25.2 70 76 A K H < S+ 0 0 40 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.801 111.0 48.0 -63.9 -30.6 7.5 11.7 24.7 71 77 A H H < S+ 0 0 34 -4,-1.4 2,-0.5 -3,-0.3 241,-0.2 0.846 88.0 93.4 -78.7 -35.6 7.8 12.1 20.9 72 78 A M < + 0 0 3 -4,-1.6 8,-0.5 6,-0.1 2,-0.3 -0.478 39.0 160.1 -74.4 113.3 11.3 10.7 20.3 73 79 A K + 0 0 163 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.730 30.8 114.0-132.6 81.7 11.2 7.0 19.4 74 80 A H B > -F 77 0C 21 3,-0.5 3,-1.6 -2,-0.3 57,-0.0 -0.992 68.3-121.8-154.0 141.5 14.5 6.1 17.7 75 81 A E T 3 S+ 0 0 122 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.795 113.2 43.6 -52.5 -36.1 17.5 3.9 18.5 76 82 A N T 3 S+ 0 0 7 83,-0.1 84,-1.9 51,-0.1 2,-0.4 0.217 105.0 72.5-102.0 12.8 19.9 6.8 18.3 77 83 A V B < S-Fg 74 160C 2 -3,-1.6 -3,-0.5 82,-0.3 2,-0.2 -0.995 88.4-107.5-130.5 134.2 17.9 9.3 20.3 78 84 A I - 0 0 8 82,-2.4 2,-0.2 -2,-0.4 -6,-0.1 -0.413 47.6-177.8 -59.2 123.7 17.2 9.4 24.1 79 85 A G - 0 0 15 -2,-0.2 2,-0.6 -4,-0.1 22,-0.3 -0.696 30.3 -90.9-121.4 174.8 13.5 8.4 24.6 80 86 A L + 0 0 16 -11,-0.9 20,-0.2 -8,-0.5 3,-0.1 -0.779 31.5 172.4 -95.2 116.7 11.1 8.1 27.5 81 87 A L S S- 0 0 26 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.786 76.5 -13.0 -81.7 -33.6 10.8 4.6 29.1 82 88 A D E -E 99 0B 25 17,-1.3 17,-2.7 259,-0.1 -1,-0.4 -0.980 52.7-164.1-162.7 154.1 8.6 6.1 31.9 83 89 A V E +E 98 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.963 24.6 165.2-143.9 134.5 7.4 9.3 33.4 84 90 A F E -E 97 0B 15 13,-1.8 13,-2.1 -2,-0.3 253,-0.1 -0.973 25.1-160.3-147.3 161.9 5.7 9.6 36.8 85 91 A T - 0 0 13 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.989 22.6-140.3-137.3 139.9 4.6 11.8 39.7 86 92 A P S S+ 0 0 20 0, 0.0 -81,-0.1 0, 0.0 7,-0.1 0.668 74.4 111.2 -66.7 -17.4 3.8 10.8 43.3 87 93 A A - 0 0 15 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.326 57.1-159.3 -62.5 137.4 0.8 13.2 43.0 88 94 A R S S+ 0 0 176 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.522 74.9 16.7 -93.4 -9.8 -2.7 11.7 43.0 89 95 A S S >> S- 0 0 30 1,-0.1 4,-1.1 0, 0.0 3,-0.6 -0.963 82.9 -99.8-154.7 166.2 -4.2 14.8 41.5 90 96 A L T 34 S+ 0 0 54 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.828 120.5 57.7 -58.0 -35.3 -3.5 18.0 39.5 91 97 A E T 34 S+ 0 0 162 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.793 111.2 40.9 -69.6 -29.2 -3.8 20.0 42.8 92 98 A E T <4 S+ 0 0 112 -3,-0.6 2,-0.2 2,-0.0 -1,-0.2 0.594 89.1 119.3 -86.7 -16.6 -1.0 17.9 44.4 93 99 A F < + 0 0 3 -4,-1.1 3,-0.1 1,-0.2 240,-0.1 -0.339 19.3 123.2 -63.3 116.3 1.1 17.9 41.2 94 100 A N + 0 0 96 1,-0.3 2,-0.4 -2,-0.2 -41,-0.3 0.384 57.4 62.6-150.0 -6.6 4.5 19.5 41.8 95 101 A D - 0 0 48 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.982 53.0-166.1-131.6 142.2 7.2 17.0 40.8 96 102 A V - 0 0 0 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -0.994 3.5-166.4-128.1 128.1 8.1 15.3 37.5 97 103 A Y E -DE 48 84B 1 -13,-2.1 -13,-1.8 -2,-0.4 2,-0.4 -0.962 5.0-162.0-116.4 131.7 10.3 12.3 37.1 98 104 A L E -DE 47 83B 9 -51,-2.8 -51,-3.3 -2,-0.4 2,-0.4 -0.931 3.4-161.7-116.8 133.0 11.7 11.2 33.7 99 105 A V E +DE 46 82B 1 -17,-2.7 -18,-3.0 -2,-0.4 -17,-1.3 -0.951 19.9 149.3-120.2 131.2 13.2 7.7 33.0 100 106 A T E -D 45 0B 19 -55,-2.2 -55,-2.7 -2,-0.4 -20,-0.1 -0.830 52.0 -59.5-141.2-180.0 15.4 6.6 30.1 101 107 A H E -D 44 0B 62 -22,-0.3 2,-0.6 -2,-0.2 -57,-0.3 -0.410 49.1-123.2 -62.7 138.4 18.2 4.1 29.3 102 108 A L - 0 0 59 -59,-2.4 2,-0.3 -67,-0.1 -59,-0.2 -0.784 27.8-159.7 -82.1 119.8 21.3 4.4 31.4 103 109 A M - 0 0 34 -2,-0.6 50,-0.2 1,-0.1 55,-0.0 -0.803 15.3-134.9-101.9 146.1 24.3 4.8 29.1 104 110 A G S S- 0 0 57 -2,-0.3 2,-0.3 48,-0.3 49,-0.2 0.805 72.0 -15.1 -73.1 -34.0 27.8 4.0 30.3 105 111 A A E -H 152 0C 29 47,-1.7 47,-2.6 3,-0.0 2,-0.2 -0.914 60.5-111.4-156.6 174.3 29.8 7.0 29.1 106 112 A D E >> -H 151 0C 39 -2,-0.3 4,-1.0 45,-0.3 3,-0.7 -0.675 42.5 -96.9-110.7 176.2 29.8 10.1 26.8 107 113 A L H 3> S+ 0 0 0 40,-1.6 4,-2.4 43,-1.4 5,-0.2 0.777 120.0 63.9 -66.6 -28.2 31.9 10.7 23.7 108 114 A N H 3> S+ 0 0 65 39,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.885 101.8 50.7 -58.1 -41.4 34.5 12.8 25.7 109 115 A N H <4 S+ 0 0 82 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 111.4 49.3 -66.2 -30.8 35.3 9.6 27.6 110 116 A I H < S+ 0 0 51 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.920 113.1 43.5 -74.6 -47.2 35.8 7.7 24.3 111 117 A V H >< S+ 0 0 3 -4,-2.4 3,-2.7 2,-0.1 -2,-0.2 0.917 74.7 172.5 -67.1 -46.9 38.1 10.2 22.6 112 118 A K T 3< S- 0 0 132 -4,-2.1 -3,-0.1 1,-0.3 3,-0.1 0.833 78.1 -54.7 34.0 62.0 40.3 10.9 25.7 113 119 A C T 3 S+ 0 0 99 -5,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.597 118.3 105.1 56.5 14.8 42.9 13.0 24.0 114 120 A Q S < S- 0 0 109 -3,-2.7 96,-0.2 -4,-0.1 2,-0.2 -0.890 73.6-105.1-128.7 155.4 43.5 10.2 21.4 115 121 A K - 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0 0 35 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.358 29.7-147.6 -55.4 132.5 39.4 20.1 19.3 213 222 A L S S+ 0 0 33 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.955 90.0 16.7 -71.3 -50.3 38.9 21.6 15.8 214 223 A F S S+ 0 0 4 -36,-0.3 2,-2.4 2,-0.1 -1,-0.2 -0.603 70.1 172.8-122.8 70.9 38.2 25.2 16.9 215 224 A P - 0 0 39 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.366 19.6-177.4 -80.2 67.0 39.4 25.6 20.5 216 225 A G - 0 0 0 -2,-2.4 -42,-0.4 1,-0.1 -39,-0.1 -0.314 31.2-144.2 -67.5 145.8 38.8 29.3 20.6 217 226 A T S S- 0 0 72 -44,-0.2 2,-0.3 1,-0.2 -44,-0.2 0.568 84.9 -10.4 -83.3 -13.0 39.8 31.3 23.8 218 227 A D S > S- 0 0 66 -47,-0.1 4,-2.7 -46,-0.1 5,-0.2 -0.936 89.4 -78.3-167.9 176.6 36.7 33.5 23.2 219 228 A H H > S+ 0 0 57 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.881 127.7 44.6 -52.8 -46.7 34.1 34.3 20.6 220 229 A I H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 113.2 48.7 -68.8 -47.0 36.4 36.4 18.4 221 230 A D H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 112.5 50.7 -59.5 -41.7 39.4 34.0 18.6 222 231 A Q H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.903 107.8 51.5 -62.9 -43.3 37.1 31.1 17.7 223 232 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.920 109.2 51.4 -59.8 -43.3 35.7 33.0 14.7 224 233 A K H X S+ 0 0 113 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.907 109.2 49.8 -60.1 -43.5 39.2 33.7 13.5 225 234 A L H X S+ 0 0 59 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.895 113.3 47.6 -60.3 -41.8 40.1 29.9 13.8 226 235 A I H >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-0.5 0.962 112.4 46.8 -62.8 -54.0 37.0 29.1 11.8 227 236 A L H 3X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.778 105.5 60.7 -64.9 -28.9 37.6 31.6 9.0 228 237 A R H 3< S+ 0 0 157 -4,-2.0 -1,-0.2 -5,-0.2 31,-0.2 0.904 113.9 36.6 -62.8 -40.6 41.2 30.6 8.7 229 238 A L H << S+ 0 0 9 -4,-1.2 30,-2.6 -3,-0.5 -2,-0.2 0.952 130.9 26.4 -74.2 -53.0 40.0 27.0 7.8 230 239 A V H < S- 0 0 19 -4,-2.6 28,-0.3 28,-0.2 52,-0.2 0.526 109.7-114.3 -96.9 -7.1 36.9 27.7 5.8 231 240 A G < - 0 0 4 -4,-1.8 -1,-0.2 26,-0.4 -3,-0.1 0.057 37.7 -64.1 92.1 156.2 37.7 31.2 4.4 232 241 A T - 0 0 26 24,-2.0 26,-0.1 1,-0.1 50,-0.1 -0.442 68.4 -87.7 -71.9 151.3 36.1 34.6 4.9 233 242 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.242 39.6-132.0 -63.9 148.6 32.5 35.0 3.7 234 243 A G > - 0 0 45 -3,-0.1 4,-2.3 1,-0.0 3,-0.3 -0.381 34.4 -91.2 -88.7 174.6 31.7 36.0 0.2 235 244 A A H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.0 0.846 124.0 59.2 -53.6 -38.9 29.3 38.7 -1.0 236 245 A E H > S+ 0 0 99 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.927 110.1 38.8 -58.5 -52.4 26.5 36.1 -1.2 237 246 A L H >> S+ 0 0 10 -3,-0.3 3,-0.9 1,-0.2 4,-0.8 0.883 108.5 63.6 -68.2 -38.9 26.7 35.0 2.5 238 247 A L H >< S+ 0 0 28 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.864 98.6 55.5 -52.3 -41.9 27.3 38.6 3.7 239 248 A K H 3< S+ 0 0 159 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.825 103.6 55.0 -59.1 -35.0 23.8 39.6 2.3 240 249 A K H << S+ 0 0 61 -3,-0.9 2,-1.5 -4,-0.7 -1,-0.2 0.604 80.2 96.1 -80.0 -14.5 22.2 36.9 4.4 241 250 A I << - 0 0 0 -3,-0.9 -52,-0.2 -4,-0.8 6,-0.2 -0.658 56.1-176.2 -75.6 92.6 23.7 38.2 7.6 242 251 A S + 0 0 89 -2,-1.5 2,-0.9 -54,-0.4 -1,-0.2 0.716 58.3 93.0 -69.1 -22.9 20.6 40.2 8.6 243 252 A S > - 0 0 40 -55,-1.9 4,-2.5 1,-0.2 5,-0.2 -0.659 63.1-163.8 -71.6 104.7 22.5 41.5 11.7 244 253 A E H > S+ 0 0 147 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.863 88.2 53.1 -58.1 -39.0 23.9 44.8 10.3 245 254 A S H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 111.7 43.2 -63.4 -48.3 26.3 45.0 13.2 246 255 A A H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.883 113.8 51.9 -65.7 -40.4 27.7 41.5 12.7 247 256 A R H X S+ 0 0 71 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.910 108.4 51.9 -61.6 -44.9 27.9 42.0 8.9 248 257 A N H X S+ 0 0 116 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.884 111.2 46.7 -59.1 -43.6 29.8 45.3 9.5 249 258 A Y H >< S+ 0 0 72 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.928 107.8 56.4 -65.2 -46.1 32.4 43.5 11.8 250 259 A I H >< S+ 0 0 8 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.876 103.7 54.3 -52.5 -41.8 32.8 40.6 9.3 251 260 A Q H 3< S+ 0 0 131 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.680 96.4 66.9 -69.5 -18.7 33.8 43.0 6.5 252 261 A S T << S+ 0 0 82 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.3 0.613 84.0 96.0 -75.9 -13.1 36.5 44.6 8.7 253 262 A L S < S- 0 0 33 -3,-1.4 2,-0.1 -4,-0.4 3,-0.1 -0.593 86.7-106.8 -84.3 138.9 38.5 41.3 8.6 254 263 A T - 0 0 125 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.414 45.7-106.7 -60.1 131.4 41.3 40.6 6.1 255 264 A Q - 0 0 164 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.332 39.6-173.1 -66.5 143.3 40.0 38.2 3.5 256 265 A M - 0 0 65 -29,-0.1 -24,-2.0 -3,-0.1 2,-0.2 -0.996 19.1-124.8-138.0 141.1 41.3 34.6 3.6 257 266 A P - 0 0 110 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.496 39.1 -90.8 -81.2 155.9 40.9 31.7 1.2 258 267 A K - 0 0 100 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.436 47.8-123.9 -59.1 132.8 39.5 28.3 2.2 259 268 A M - 0 0 65 -30,-2.6 2,-0.7 -31,-0.2 -1,-0.1 -0.324 25.7 -96.4 -76.0 163.2 42.4 26.0 3.2 260 269 A N >> - 0 0 90 1,-0.2 3,-1.2 -2,-0.1 4,-1.0 -0.749 29.8-155.6 -81.6 112.6 43.1 22.5 1.7 261 270 A F H 3> S+ 0 0 1 -2,-0.7 4,-2.8 1,-0.3 -1,-0.2 0.766 91.1 61.4 -64.6 -27.4 41.4 20.0 4.0 262 271 A A H 34 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.763 106.0 47.1 -68.4 -27.2 43.8 17.2 3.0 263 272 A N H <4 S+ 0 0 118 -3,-1.2 3,-0.4 1,-0.1 -1,-0.2 0.675 114.5 47.8 -84.2 -20.1 46.7 19.3 4.3 264 273 A V H < S+ 0 0 49 -4,-1.0 2,-0.6 1,-0.2 -2,-0.2 0.861 116.3 41.4 -84.0 -42.0 44.7 20.0 7.5 265 274 A F S >< S- 0 0 10 -4,-2.8 3,-1.9 -5,-0.1 -1,-0.2 -0.532 85.9-165.3-109.0 64.5 43.7 16.4 8.2 266 275 A I T 3 + 0 0 136 -2,-0.6 -3,-0.1 -3,-0.4 -4,-0.1 -0.229 69.8 6.9 -56.5 127.1 46.9 14.5 7.2 267 276 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -5,-0.3 2,-0.1 0.351 93.8 138.3 86.3 -4.4 46.5 10.8 6.7 268 277 A A < - 0 0 28 -3,-1.9 -1,-0.3 -6,-0.2 -3,-0.1 -0.374 68.7 -84.9 -74.0 150.5 42.7 10.8 7.0 269 278 A N >> - 0 0 44 1,-0.2 4,-2.1 -2,-0.1 3,-1.0 -0.352 36.8-132.8 -47.1 120.5 40.4 8.7 4.8 270 279 A P H 3> S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.786 108.5 56.0 -53.1 -28.7 39.9 10.9 1.6 271 280 A L H 3> S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.829 105.8 50.3 -71.7 -34.3 36.2 10.2 1.9 272 281 A A H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.894 110.0 50.4 -66.4 -42.5 36.2 11.6 5.5 273 282 A V H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 110.2 50.7 -59.6 -46.7 38.0 14.7 4.2 274 283 A D H X S+ 0 0 53 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.933 110.7 47.6 -57.8 -50.2 35.3 15.1 1.5 275 284 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.5 0.914 109.5 53.8 -59.5 -44.2 32.5 14.8 4.0 276 285 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.875 106.0 53.2 -56.8 -40.5 34.1 17.3 6.4 277 286 A E H < S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 110.7 47.5 -63.5 -31.5 34.4 19.8 3.5 278 287 A K H < S+ 0 0 90 -4,-1.3 10,-2.1 -3,-0.5 3,-0.3 0.732 116.7 42.2 -82.7 -25.2 30.6 19.3 2.9 279 288 A M H < S+ 0 0 0 -4,-1.7 2,-1.1 8,-0.2 -2,-0.2 0.838 107.4 59.7 -86.1 -39.5 29.7 19.7 6.5 280 289 A L S < S+ 0 0 4 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.420 70.6 138.5 -95.0 57.6 32.0 22.6 7.4 281 290 A V - 0 0 41 -2,-1.1 6,-0.1 -3,-0.3 5,-0.1 -0.881 50.7-142.2-101.5 132.8 30.6 25.2 4.9 282 291 A L S S+ 0 0 14 -2,-0.4 2,-0.7 -52,-0.2 -99,-0.2 0.931 87.9 72.3 -62.4 -47.7 30.2 28.7 6.3 283 292 A D S > S- 0 0 10 1,-0.2 3,-1.9 -3,-0.1 4,-0.4 -0.594 73.2-156.1 -72.5 109.9 27.0 29.4 4.4 284 293 A S G > S+ 0 0 3 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.805 88.9 66.6 -60.1 -32.2 24.4 27.3 6.2 285 294 A D G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.744 105.3 44.9 -54.9 -26.6 22.1 27.2 3.1 286 295 A K G < S+ 0 0 116 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.432 84.3 114.6-107.2 -1.8 24.9 25.1 1.4 287 296 A R S < S- 0 0 7 -3,-1.0 -8,-0.2 -4,-0.4 -9,-0.1 -0.403 75.6-101.3 -66.9 144.8 25.8 22.6 4.1 288 297 A I - 0 0 18 -10,-2.1 2,-0.2 -13,-0.2 -1,-0.1 -0.370 38.8-127.9 -59.1 143.3 25.0 18.9 3.5 289 298 A T > - 0 0 54 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.481 21.3-107.7 -87.5 166.6 21.9 17.7 5.3 290 299 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -157,-0.2 0.932 121.0 49.9 -59.5 -47.0 21.7 14.6 7.6 291 300 A A H > S+ 0 0 51 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.900 113.7 45.5 -58.9 -43.3 19.7 12.6 5.0 292 301 A Q H >4 S+ 0 0 114 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.886 110.4 54.2 -67.0 -40.0 22.2 13.6 2.3 293 302 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 6,-0.3 0.841 99.6 61.1 -65.4 -34.1 25.2 12.8 4.6 294 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.798 104.0 50.5 -61.4 -30.0 23.9 9.2 5.3 295 304 A A T << S+ 0 0 64 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.364 84.7 117.9 -89.5 2.0 24.2 8.4 1.6 296 305 A H S X S- 0 0 22 -3,-1.5 3,-2.0 -4,-0.2 7,-0.1 -0.477 78.6-115.8 -71.0 143.4 27.8 9.7 1.4 297 306 A A G > S+ 0 0 56 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.692 107.8 75.6 -54.8 -23.9 30.4 7.0 0.3 298 307 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.833 98.9 44.7 -57.7 -33.1 32.1 7.3 3.8 299 308 A F G X> S+ 0 0 0 -3,-2.0 4,-3.0 -6,-0.3 3,-1.9 0.124 74.3 126.3-100.6 20.7 29.2 5.4 5.3 300 309 A A T <4 S+ 0 0 78 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.823 73.6 49.7 -46.2 -43.5 29.0 2.6 2.6 301 310 A Q T 34 S+ 0 0 119 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.631 122.2 32.0 -77.3 -12.7 29.4 -0.2 5.1 302 311 A Y T <4 S+ 0 0 56 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.2 0.681 89.8 109.2-111.6 -27.5 26.6 1.1 7.4 303 312 A H < + 0 0 60 -4,-3.0 -8,-0.1 -7,-0.1 5,-0.0 -0.272 30.4 162.9 -63.0 131.9 24.1 2.9 5.2 304 313 A D > - 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