==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAY-09 3HEG . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.V.NAMBOODIRI,M.KARPUSAS . 331 4 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) . 204 61.6 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 . 38 11.5 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 . 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 . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 27.8 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+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 0 1 1 0 0 0 1 1 0 1 1 0 0 1 0 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 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 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 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.8 24.0 -4.7 32.5 2 6 A P - 0 0 76 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.004 360.0-112.9 -54.8 162.5 23.5 -5.6 28.7 3 7 A T - 0 0 82 2,-0.0 15,-1.9 0, 0.0 16,-0.1 -0.934 35.1-149.6-112.2 129.8 26.0 -4.6 26.0 4 8 A F E -A 17 0A 35 -2,-0.5 2,-0.3 13,-0.2 11,-0.1 -0.377 12.0-158.4 -99.7 164.1 24.8 -2.0 23.5 5 9 A Y E -A 16 0A 62 11,-1.7 11,-1.5 -2,-0.1 2,-0.2 -0.987 14.4-139.3-142.0 138.3 25.4 -1.1 19.9 6 10 A R E +A 15 0A 172 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.623 25.3 165.0 -91.9 151.1 24.9 2.2 18.1 7 11 A Q E -A 14 0A 57 7,-1.2 7,-3.1 -2,-0.2 2,-0.9 -0.978 39.8-112.3-161.1 159.8 23.4 2.8 14.6 8 12 A E E +A 13 0A 121 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.809 36.0 173.5 -93.9 100.7 22.0 5.5 12.3 9 13 A L S S- 0 0 33 3,-2.5 4,-0.1 -2,-0.9 -2,-0.0 -0.657 78.0 -38.9-146.0 83.8 18.3 4.7 11.8 10 14 A N S S- 0 0 113 -2,-0.2 -1,-0.2 15,-0.1 3,-0.1 0.467 107.9 -44.6-133.8 129.0 17.7 7.2 10.3 11 15 A K S S+ 0 0 188 1,-0.3 2,-0.4 0, 0.0 -3,-0.0 0.174 121.1 95.8 67.5 -13.7 19.3 10.5 11.2 12 16 A T S S- 0 0 38 2,-0.0 -3,-2.5 0, 0.0 2,-0.6 -0.839 79.7-133.9 -94.1 139.6 18.2 9.2 14.6 13 17 A I E -A 8 0A 56 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.886 19.8-158.0 -94.8 122.1 21.0 7.4 16.6 14 18 A W E -A 7 0A 4 -7,-3.1 -7,-1.2 -2,-0.6 2,-0.6 -0.900 11.8-175.3-103.3 122.1 19.7 4.1 18.1 15 19 A E E +A 6 0A 48 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.0 -0.903 21.7 157.6-116.7 102.7 21.5 2.6 21.1 16 20 A V E -A 5 0A 0 -11,-1.5 -11,-1.7 -2,-0.6 -2,-0.0 -0.877 45.4 -96.0-123.7 151.1 19.9 -0.8 21.9 17 21 A P E > -A 4 0A 6 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.252 41.3-109.9 -59.4 156.1 21.1 -4.0 23.8 18 22 A E T 3 S+ 0 0 105 -15,-1.9 19,-0.1 1,-0.3 -14,-0.1 0.820 110.3 80.3 -64.2 -31.7 22.6 -6.8 21.6 19 23 A R T 3 S+ 0 0 52 -16,-0.1 18,-3.0 17,-0.1 2,-0.5 0.708 86.3 67.2 -32.4 -35.6 19.5 -8.9 22.3 20 24 A Y E < S+B 36 0B 0 -3,-1.9 2,-0.3 16,-0.2 16,-0.2 -0.886 72.0 172.9-106.1 126.0 17.6 -6.8 19.7 21 25 A Q E +B 35 0B 67 14,-2.3 14,-3.1 -2,-0.5 -2,-0.0 -0.784 45.3 28.1-129.6 163.9 18.8 -7.3 16.1 22 26 A N E S- 0 0 122 -2,-0.3 -1,-0.2 12,-0.2 2,-0.2 0.867 71.0-164.7 55.4 45.4 18.0 -6.3 12.5 23 27 A L E + 0 0 13 -3,-0.2 11,-0.2 11,-0.1 -1,-0.2 -0.425 11.7 176.7 -60.3 128.4 16.3 -3.1 13.4 24 28 A S E -B 33 0B 65 9,-2.0 9,-2.7 -2,-0.2 -15,-0.0 -0.969 35.0-102.5-139.5 128.3 14.2 -1.6 10.6 25 29 A P E B 32 0B 68 0, 0.0 7,-0.2 0, 0.0 -15,-0.1 -0.045 360.0 360.0 -38.5 137.8 12.0 1.6 10.6 26 30 A V 0 0 120 5,-2.2 6,-0.2 0, 0.0 18,-0.0 0.483 360.0 360.0-145.0 360.0 8.2 0.9 10.9 27 ! 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 28 35 A Y 0 0 92 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-108.9 4.1 6.4 16.5 29 36 A G - 0 0 34 1,-0.1 20,-0.3 18,-0.1 18,-0.0 -0.565 360.0 -12.5-155.3 78.9 7.3 8.5 16.6 30 37 A S S S+ 0 0 51 1,-0.2 17,-2.6 -2,-0.1 2,-0.4 0.918 76.2 165.0 85.8 86.8 10.3 6.4 15.9 31 38 A V E - C 0 46B 26 15,-0.2 -5,-2.2 -3,-0.1 2,-0.4 -0.962 15.7-166.1-125.4 138.4 9.6 2.7 15.9 32 39 A C E -BC 25 45B 1 13,-2.3 13,-2.8 -2,-0.4 2,-0.3 -0.987 21.7-130.6-118.8 139.4 11.7 -0.1 14.6 33 40 A A E -BC 24 44B 16 -9,-2.7 -9,-2.0 -2,-0.4 2,-0.3 -0.649 41.3-179.0 -71.1 142.7 10.7 -3.7 14.0 34 41 A A E - C 0 43B 3 9,-2.2 9,-3.0 -2,-0.3 2,-0.7 -0.997 33.6-116.9-147.1 153.0 13.4 -5.8 15.7 35 42 A F E -BC 21 42B 79 -14,-3.1 -14,-2.3 -2,-0.3 2,-1.1 -0.838 24.1-150.1 -90.5 117.8 14.3 -9.5 16.3 36 43 A D E >>> -BC 20 41B 2 5,-3.3 4,-2.3 -2,-0.7 3,-1.1 -0.747 10.3-169.5 -87.3 99.4 14.3 -10.2 20.0 37 44 A T T 345S+ 0 0 70 -18,-3.0 -1,-0.2 -2,-1.1 -17,-0.1 0.581 78.0 65.2 -71.9 -7.5 17.0 -12.9 20.2 38 45 A K T 345S+ 0 0 134 -19,-0.3 -1,-0.3 1,-0.1 -18,-0.1 0.817 120.4 17.4 -82.3 -30.7 16.0 -13.8 23.7 39 46 A T T <45S- 0 0 72 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.1 0.517 100.5-120.5-115.6 -16.2 12.5 -15.1 23.0 40 47 A G T <5S+ 0 0 39 -4,-2.3 -3,-0.2 1,-0.3 2,-0.1 0.428 72.5 128.2 86.6 3.8 12.9 -15.6 19.2 41 48 A L E < -C 36 0B 87 -5,-0.7 -5,-3.3 -6,-0.1 2,-0.4 -0.433 64.2-115.2 -98.7 160.5 10.1 -13.2 18.6 42 49 A R E -C 35 0B 173 -7,-0.2 59,-1.1 -2,-0.1 2,-0.3 -0.827 40.8-173.3 -92.0 133.1 9.7 -10.0 16.5 43 50 A V E -CD 34 100B 0 -9,-3.0 -9,-2.2 -2,-0.4 2,-0.6 -0.846 28.8-124.3-126.1 156.7 9.2 -6.8 18.6 44 51 A A E -CD 33 99B 12 55,-2.8 55,-3.2 -2,-0.3 2,-0.5 -0.924 25.6-165.4 -93.4 125.8 8.4 -3.1 18.2 45 52 A V E -CD 32 98B 0 -13,-2.8 -13,-2.3 -2,-0.6 2,-0.5 -0.972 5.7-163.2-111.5 120.8 11.1 -1.0 19.8 46 53 A K E -CD 31 97B 52 51,-3.2 51,-2.9 -2,-0.5 2,-0.6 -0.914 6.7-160.4-110.7 123.6 9.9 2.6 20.3 47 54 A K E - D 0 96B 25 -17,-2.6 2,-0.3 -2,-0.5 49,-0.2 -0.932 19.9-135.4-100.5 123.1 12.4 5.4 20.9 48 55 A L - 0 0 18 47,-1.8 2,-0.4 -2,-0.6 47,-0.3 -0.611 14.8-130.6 -81.2 130.1 10.8 8.4 22.5 49 56 A S S S- 0 0 77 -2,-0.3 4,-0.1 -20,-0.3 -1,-0.0 -0.686 80.0 -18.4 -81.8 130.7 11.8 11.8 21.0 50 57 A R S > S- 0 0 167 -2,-0.4 3,-1.4 1,-0.1 4,-0.3 0.860 74.1-179.4 46.7 56.8 12.8 14.4 23.6 51 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.834 77.7 31.0 -62.5 -25.3 11.2 12.6 26.5 52 59 A F T 3 S+ 0 0 17 41,-0.3 6,-0.1 1,-0.1 -2,-0.1 0.015 78.5 119.2-120.1 28.6 12.2 15.2 29.1 53 60 A Q S < S+ 0 0 116 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.1 0.797 84.5 2.7 -69.8 -30.2 12.2 18.4 27.0 54 61 A S S > S- 0 0 44 -4,-0.3 4,-1.9 -3,-0.2 5,-0.1 -0.836 80.1 -97.4-141.1 180.0 9.6 20.1 29.1 55 62 A I H > S+ 0 0 83 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.932 125.0 46.7 -65.6 -46.7 7.4 19.5 32.2 56 63 A I H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.909 114.4 46.8 -62.1 -44.2 4.5 18.4 30.0 57 64 A H H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.841 114.2 49.4 -60.3 -42.2 6.8 16.1 27.9 58 65 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.903 111.7 46.0 -68.1 -45.6 8.3 14.7 31.1 59 66 A K H X S+ 0 0 24 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.881 112.8 53.3 -58.2 -41.3 4.9 14.0 32.7 60 67 A R H X S+ 0 0 126 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.933 108.2 48.9 -61.1 -49.7 3.8 12.4 29.5 61 68 A T H X S+ 0 0 11 -4,-2.3 4,-2.5 -10,-0.4 -1,-0.2 0.911 113.8 45.3 -53.8 -50.1 6.8 10.1 29.4 62 69 A Y H X S+ 0 0 18 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.893 112.1 53.1 -63.5 -40.1 6.3 9.0 33.1 63 70 A R H X S+ 0 0 84 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.907 110.9 45.7 -62.8 -44.0 2.5 8.5 32.5 64 71 A E H X S+ 0 0 55 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.945 115.1 47.0 -68.3 -45.1 3.1 6.3 29.4 65 72 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.939 112.1 50.0 -62.1 -48.0 5.8 4.2 31.3 66 73 A R H X S+ 0 0 28 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.905 114.7 45.1 -54.3 -41.9 3.6 3.9 34.4 67 74 A L H >X S+ 0 0 45 -4,-2.0 4,-1.6 -5,-0.2 3,-1.0 0.946 111.5 49.4 -72.3 -49.0 0.7 2.7 32.2 68 75 A L H 3< S+ 0 0 8 -4,-2.8 11,-0.7 1,-0.3 -1,-0.2 0.888 109.6 53.8 -58.0 -39.7 2.5 0.2 30.0 69 76 A K H 3< S+ 0 0 36 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.694 110.5 47.2 -65.4 -23.0 4.1 -1.4 33.1 70 77 A H H << S+ 0 0 32 -3,-1.0 2,-0.6 -4,-0.7 234,-0.2 0.769 86.6 99.4 -90.9 -27.1 0.7 -1.9 34.7 71 78 A M < + 0 0 6 -4,-1.6 8,-0.5 -3,-0.1 2,-0.1 -0.520 36.9 155.3 -74.2 110.0 -1.0 -3.4 31.6 72 79 A K + 0 0 158 -2,-0.6 2,-0.3 6,-0.1 6,-0.1 -0.639 29.9 111.5-136.5 72.3 -1.0 -7.2 32.0 73 80 A H B > -F 76 0C 17 3,-0.5 3,-1.3 -2,-0.1 57,-0.1 -0.988 67.6-124.6-150.2 148.4 -3.9 -8.5 29.9 74 81 A E T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.834 112.2 45.2 -64.5 -36.5 -4.2 -10.6 26.7 75 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.3 2,-0.1 2,-0.4 0.116 106.1 72.2 -96.9 22.4 -6.3 -8.0 25.0 76 83 A V B < S-Fg 73 159C 5 -3,-1.3 -3,-0.5 82,-0.3 84,-0.2 -0.999 90.8 -99.2-138.4 134.5 -4.2 -5.0 26.0 77 84 A I - 0 0 33 82,-3.1 2,-0.3 -2,-0.4 -4,-0.1 -0.125 44.7-158.6 -44.4 141.4 -0.7 -3.9 24.7 78 85 A G - 0 0 20 -6,-0.1 2,-0.8 -4,-0.1 22,-0.5 -0.884 19.7-112.5-127.9 160.9 2.1 -5.0 27.1 79 86 A L + 0 0 11 -11,-0.7 20,-0.2 -8,-0.5 3,-0.1 -0.836 26.7 177.3 -97.1 110.4 5.6 -3.9 27.9 80 87 A L S S- 0 0 32 18,-2.7 2,-0.3 -2,-0.8 19,-0.2 0.888 71.5 -14.4 -74.7 -40.6 8.2 -6.6 27.0 81 88 A D E -E 98 0B 24 17,-1.6 17,-3.2 252,-0.1 2,-0.4 -0.988 51.5-156.1-155.8 155.2 11.2 -4.5 28.0 82 89 A V E +E 97 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.960 26.9 169.3-135.8 124.5 12.1 -0.9 28.8 83 90 A F E -E 96 0B 14 13,-2.0 13,-2.7 -2,-0.4 246,-0.0 -0.945 21.6-170.3-133.4 154.5 15.7 0.2 28.4 84 91 A T - 0 0 13 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.986 27.1-137.0-129.2 143.8 18.1 3.3 28.4 85 92 A P S S+ 0 0 19 0, 0.0 -81,-0.1 0, 0.0 10,-0.1 0.699 74.1 113.3 -64.2 -15.1 21.7 3.4 27.3 86 93 A A - 0 0 10 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.237 50.4-167.3 -69.4 145.9 22.3 5.6 30.4 87 94 A R S S+ 0 0 171 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.718 73.8 27.2-100.5 -27.1 24.4 4.3 33.3 88 95 A S S > S- 0 0 29 1,-0.1 4,-0.6 0, 0.0 3,-0.4 -0.887 82.0-110.9-132.6 158.5 23.4 7.0 35.8 89 96 A L T >4 S+ 0 0 55 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.884 119.6 62.8 -48.1 -37.1 20.5 9.3 36.5 90 97 A E T 34 S+ 0 0 153 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.863 107.3 36.4 -65.9 -43.3 23.0 11.9 35.4 91 98 A E T 34 S+ 0 0 109 -3,-0.4 2,-0.6 -6,-0.0 -1,-0.3 0.386 88.3 128.4 -88.2 6.9 23.5 10.6 31.9 92 99 A F << + 0 0 0 -3,-1.1 3,-0.1 -4,-0.6 233,-0.1 -0.479 16.1 125.2 -72.3 108.9 19.7 9.6 31.6 93 100 A N + 0 0 96 -2,-0.6 2,-0.4 1,-0.2 -41,-0.3 0.541 55.3 58.2-134.3 -29.8 18.2 11.1 28.4 94 101 A D - 0 0 47 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.901 51.3-169.0-117.1 147.2 16.6 8.3 26.3 95 102 A V - 0 0 1 -2,-0.4 -47,-1.8 -47,-0.3 2,-0.4 -0.998 6.5-165.0-130.4 125.3 13.9 5.8 27.0 96 103 A Y E -DE 47 83B 2 -13,-2.7 -13,-2.0 -2,-0.4 2,-0.5 -0.967 6.5-152.4-115.7 135.5 13.1 2.9 24.7 97 104 A L E -DE 46 82B 4 -51,-2.9 -51,-3.2 -2,-0.4 2,-0.6 -0.897 2.5-154.8-107.8 127.9 9.9 0.8 24.9 98 105 A V E +DE 45 81B 0 -17,-3.2 -18,-2.7 -2,-0.5 -17,-1.6 -0.926 26.9 159.6-110.0 116.0 9.8 -2.8 23.8 99 106 A T E -D 44 0B 22 -55,-3.2 -55,-2.8 -2,-0.6 -20,-0.1 -0.767 48.0 -87.1-125.7 162.1 6.4 -3.9 22.8 100 107 A H E -D 43 0B 87 -22,-0.5 2,-0.4 -2,-0.3 -57,-0.2 -0.500 57.1 -98.5 -68.5 151.6 5.1 -6.8 20.6 101 108 A L - 0 0 50 -59,-1.1 2,-0.6 -2,-0.1 -1,-0.1 -0.627 29.8-147.5 -78.7 124.0 5.0 -5.9 16.9 102 109 A M + 0 0 56 -2,-0.4 3,-0.1 1,-0.2 50,-0.1 -0.837 20.6 174.3 -82.1 121.2 1.6 -4.8 15.6 103 110 A G + 0 0 67 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.840 64.3 14.5 -84.6 -82.6 1.3 -5.8 11.9 104 111 A A E -H 151 0C 28 47,-0.6 47,-2.4 4,-0.0 -1,-0.3 -0.684 66.8-149.5 -95.7 143.8 -2.3 -5.0 10.9 105 112 A D E > -H 150 0C 19 -2,-0.3 4,-1.6 45,-0.2 45,-0.2 -0.473 44.6 -86.5 -91.4 177.9 -4.7 -2.8 12.8 106 113 A L H > S+ 0 0 1 43,-1.8 4,-1.8 40,-1.3 41,-0.2 0.830 128.7 50.6 -52.1 -39.5 -8.5 -3.3 12.7 107 114 A N H > S+ 0 0 25 39,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.907 108.1 51.3 -67.6 -44.6 -8.9 -1.2 9.5 108 115 A N H 4 S+ 0 0 73 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.779 108.7 55.2 -57.0 -31.4 -6.1 -3.1 7.7 109 116 A I H >X S+ 0 0 14 -4,-1.6 4,-1.6 2,-0.2 3,-0.5 0.884 112.8 39.0 -73.9 -43.6 -8.0 -6.3 8.7 110 117 A V H 3< S+ 0 0 41 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.1 0.951 109.5 59.7 -63.7 -54.4 -11.3 -5.2 7.1 111 118 A K T 3< S+ 0 0 170 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.360 109.4 48.7 -68.2 9.9 -9.6 -3.6 4.0 112 119 A C T <4 0 0 99 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 360.0 360.0 -96.2 -58.7 -8.3 -7.1 3.5 113 120 A Q < 0 0 127 -4,-1.6 -1,-0.3 -5,-0.1 0, 0.0 -0.902 360.0 360.0-145.0 360.0 -11.5 -9.2 3.8 114 ! 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 0.0 115 122 A L 0 0 64 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 134.4 -16.4 -10.1 8.0 116 123 A T > - 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0 0 40 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.416 32.1-147.0 -56.3 124.9 -18.2 4.7 9.1 205 222 A L S S+ 0 0 31 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.867 89.5 15.2 -66.3 -39.5 -21.3 5.2 11.3 206 223 A F + 0 0 4 -36,-0.2 2,-2.0 -12,-0.1 -1,-0.2 -0.606 69.5 179.3-138.3 73.8 -20.8 9.0 11.8 207 224 A P - 0 0 70 0, 0.0 7,-0.1 0, 0.0 -37,-0.1 -0.078 19.6-177.8 -81.1 43.5 -18.3 10.2 9.2 208 225 A G - 0 0 2 -2,-2.0 -38,-0.1 6,-0.1 3,-0.1 0.132 30.6-144.0 -36.6 145.2 -18.5 13.9 10.4 209 226 A T S S- 0 0 93 1,-0.2 2,-0.3 -39,-0.0 -1,-0.1 0.696 82.2 -18.5 -86.7 -22.6 -16.5 16.5 8.5 210 227 A D S > S- 0 0 76 -41,-0.0 4,-2.2 -40,-0.0 -1,-0.2 -0.905 90.0 -70.4-163.6-174.8 -15.8 18.3 11.8 211 228 A H H > S+ 0 0 97 -2,-0.3 4,-1.2 2,-0.2 -34,-0.1 0.752 128.5 46.4 -61.3 -30.0 -17.1 18.5 15.3 212 229 A I H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.1 3,-0.3 0.955 115.3 43.1 -75.6 -54.5 -20.4 20.3 14.3 213 230 A D H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.770 112.6 58.9 -60.2 -31.5 -21.3 18.0 11.3 214 231 A Q H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.906 106.0 44.3 -60.0 -49.6 -20.3 15.2 13.6 215 232 A L H X S+ 0 0 12 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.780 109.1 58.3 -75.1 -27.7 -22.8 16.0 16.2 216 233 A K H X S+ 0 0 103 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.947 108.0 46.4 -61.3 -49.4 -25.4 16.5 13.5 217 234 A L H X S+ 0 0 29 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.889 110.3 52.9 -60.8 -42.0 -24.9 13.0 12.3 218 235 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.4 0.905 106.3 53.9 -60.6 -42.8 -25.0 11.6 15.9 219 236 A L H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.857 98.8 62.0 -64.7 -41.1 -28.4 13.3 16.6 220 237 A R H < S+ 0 0 141 -4,-1.6 31,-0.5 1,-0.2 -1,-0.2 0.884 111.4 37.3 -44.4 -50.9 -30.2 11.8 13.5 221 238 A L H < S+ 0 0 14 -4,-1.0 30,-1.6 -3,-0.4 -2,-0.2 0.924 128.9 27.5 -78.0 -48.3 -29.8 8.3 14.8 222 239 A V H < S- 0 0 18 -4,-1.7 28,-0.2 1,-0.3 52,-0.2 0.619 107.5-122.6 -94.4 -14.8 -30.2 8.5 18.5 223 240 A G < - 0 0 2 -4,-2.5 -1,-0.3 26,-0.3 -2,-0.1 -0.382 35.3 -61.9 100.4 175.7 -32.5 11.6 18.6 224 241 A T S S- 0 0 23 24,-1.6 26,-0.1 -2,-0.1 50,-0.1 -0.697 74.9 -84.3 -87.2 153.5 -32.1 15.0 20.3 225 242 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.281 42.3-131.3 -62.5 149.2 -32.0 14.6 24.0 226 243 A G >> - 0 0 46 -3,-0.1 4,-2.0 1,-0.0 3,-1.1 -0.350 34.6 -90.6 -85.1 176.4 -35.2 14.3 26.0 227 244 A A H 3> S+ 0 0 78 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.796 122.6 61.4 -62.1 -31.1 -36.0 16.3 29.1 228 245 A E H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.779 112.6 38.0 -69.1 -25.0 -34.6 13.7 31.5 229 246 A L H X4 S+ 0 0 26 -3,-1.1 3,-0.9 2,-0.2 4,-0.3 0.732 110.6 60.2 -88.8 -32.5 -31.1 14.1 29.9 230 247 A L H >< S+ 0 0 33 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.779 95.2 65.4 -65.9 -27.0 -31.7 17.9 29.5 231 248 A K T 3< S+ 0 0 178 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 100.6 50.8 -55.1 -37.4 -32.0 18.0 33.4 232 249 A K T < S+ 0 0 88 -3,-0.9 2,-0.7 -4,-0.2 -1,-0.2 0.472 82.7 103.8 -89.7 -4.9 -28.3 16.9 33.6 233 250 A I < - 0 0 10 -3,-0.9 6,-0.1 -4,-0.3 -3,-0.0 -0.720 45.7-176.8 -88.2 116.1 -26.9 19.5 31.3 234 251 A S + 0 0 111 -2,-0.7 -1,-0.2 4,-0.0 -4,-0.0 0.960 52.3 85.1 -76.0 -55.9 -25.2 22.3 33.4 235 252 A S S > S- 0 0 55 1,-0.1 4,-1.8 4,-0.0 3,-0.5 -0.218 73.6-134.1 -61.6 136.4 -24.0 24.8 30.8 236 253 A E H > S+ 0 0 126 1,-0.3 4,-0.7 2,-0.2 2,-0.1 0.826 102.1 28.2 -58.6 -36.5 -26.4 27.5 29.6 237 254 A S H 4 S+ 0 0 75 2,-0.3 -1,-0.3 1,-0.2 -3,-0.0 -0.595 99.6 70.9-161.9 94.4 -25.4 26.8 26.0 238 255 A A H >> S+ 0 0 24 -3,-0.5 3,-1.3 -2,-0.1 4,-1.2 -0.330 109.4 44.4 25.1 -84.1 -24.4 23.8 25.9 239 256 A R H 3X S+ 0 0 47 -4,-1.8 4,-2.1 1,-0.3 5,-0.4 0.807 103.6 63.2 -66.0 -30.4 -28.3 23.8 26.3 240 257 A N H 3< S+ 0 0 82 -4,-0.7 -1,-0.3 1,-0.2 -3,-0.1 0.126 105.2 48.5 -80.6 19.1 -28.9 26.5 23.7 241 258 A Y H <4 S+ 0 0 61 -3,-1.3 4,-0.3 4,-0.1 -2,-0.2 0.610 113.7 41.8-111.0 -46.6 -27.5 24.2 21.0 242 259 A I H < S+ 0 0 23 -4,-1.2 3,-0.2 1,-0.2 -2,-0.2 0.847 124.9 34.9 -70.4 -40.8 -29.4 21.0 21.8 243 260 A Q S < S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.2 0.697 113.2 61.4 -87.6 -21.4 -32.8 22.7 22.5 244 261 A S S S+ 0 0 82 -5,-0.4 2,-0.6 2,-0.1 -2,-0.2 0.491 92.9 81.5 -80.4 -4.7 -32.1 25.2 19.7 245 262 A L S S- 0 0 61 -4,-0.3 3,-0.2 -3,-0.2 -4,-0.1 -0.932 98.9 -97.1-107.5 120.6 -31.9 22.3 17.3 246 263 A T - 0 0 129 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 0.121 50.0 -94.5 -26.4 128.1 -35.2 20.9 15.9 247 264 A Q - 0 0 166 -4,-0.1 -1,-0.1 1,-0.1 -4,-0.0 -0.248 42.2-159.0 -55.2 130.6 -36.4 17.8 17.8 248 265 A M - 0 0 77 -3,-0.2 -24,-1.6 -23,-0.1 2,-0.2 -0.941 14.2-125.2-116.2 135.7 -35.3 14.5 16.2 249 266 A P - 0 0 100 0, 0.0 2,-0.7 0, 0.0 -26,-0.3 -0.535 31.3-110.1 -70.1 142.6 -36.9 11.1 16.7 250 267 A K - 0 0 116 -28,-0.2 -28,-0.2 -2,-0.2 -29,-0.1 -0.701 44.5-125.2 -71.6 112.7 -34.7 8.2 17.9 251 268 A M - 0 0 84 -30,-1.6 2,-0.7 -2,-0.7 3,-0.1 -0.031 20.4 -99.0 -61.8 160.6 -34.5 6.0 14.8 252 269 A N > - 0 0 96 1,-0.2 4,-1.6 2,-0.0 3,-0.3 -0.760 29.2-158.0 -79.1 116.0 -35.3 2.3 14.7 253 270 A F H > S+ 0 0 1 -2,-0.7 4,-3.5 1,-0.2 3,-0.2 0.929 90.9 61.6 -64.5 -43.5 -32.0 0.6 14.9 254 271 A A H 4 S+ 0 0 51 1,-0.3 -1,-0.2 2,-0.2 6,-0.2 0.861 108.5 44.8 -48.0 -39.4 -33.4 -2.6 13.4 255 272 A N H >4 S+ 0 0 132 -3,-0.3 3,-0.7 1,-0.2 -1,-0.3 0.848 115.6 46.2 -71.3 -38.9 -34.2 -0.5 10.3 256 273 A V H 3< S+ 0 0 56 -4,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.862 109.5 54.6 -76.2 -37.9 -30.8 1.2 10.2 257 274 A F T >< S- 0 0 2 -4,-3.5 3,-2.0 1,-0.2 -1,-0.3 -0.375 91.7-150.8-102.8 51.2 -28.8 -2.0 10.7 258 275 A I T < - 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0 0 39 -2,-0.9 6,-0.1 -3,-0.2 5,-0.1 -0.820 50.1-141.8 -88.0 128.5 -27.2 5.9 24.1 274 291 A L S S+ 0 0 29 -2,-0.5 2,-0.9 -52,-0.2 -99,-0.2 0.839 89.9 75.7 -60.8 -32.1 -26.9 9.7 24.1 275 292 A D S > S- 0 0 14 1,-0.1 3,-2.7 -3,-0.0 4,-0.4 -0.729 73.3-156.4 -85.7 107.5 -27.1 9.7 27.9 276 293 A S T 3 S+ 0 0 25 -2,-0.9 3,-0.3 1,-0.3 -90,-0.2 0.648 91.0 61.8 -59.2 -17.0 -23.7 8.4 29.2 277 294 A D T 3 S+ 0 0 99 1,-0.2 -1,-0.3 -93,-0.0 -3,-0.0 0.670 103.4 47.0 -80.6 -24.7 -25.4 7.3 32.4 278 295 A K S < S+ 0 0 107 -3,-2.7 2,-0.2 2,-0.1 -1,-0.2 0.372 86.3 118.1-101.3 3.0 -27.7 4.8 30.6 279 296 A R S S- 0 0 8 -4,-0.4 -8,-0.2 -3,-0.3 -93,-0.1 -0.531 72.1-112.7 -73.4 131.7 -24.8 3.3 28.5 280 297 A I - 0 0 21 -10,-2.5 2,-0.1 -2,-0.2 -1,-0.1 -0.361 34.2-130.0 -55.1 140.8 -24.1 -0.3 29.0 281 298 A T > - 0 0 54 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.418 21.3-104.7 -86.6 172.5 -20.7 -0.8 30.6 282 299 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -150,-0.2 0.915 121.1 49.9 -62.2 -50.0 -17.9 -3.2 29.4 283 300 A A H > S+ 0 0 49 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.859 115.0 45.6 -60.9 -35.4 -18.5 -5.8 32.1 284 301 A Q H >4 S+ 0 0 114 2,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.889 108.3 55.5 -69.7 -43.2 -22.3 -5.7 31.3 285 302 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.819 100.1 61.2 -63.0 -29.6 -21.7 -5.9 27.5 286 303 A L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 101.4 52.2 -66.4 -33.4 -19.7 -9.1 27.9 287 304 A A T << S+ 0 0 69 -3,-0.8 -1,-0.3 -4,-0.6 2,-0.2 0.143 86.1 120.0 -88.0 16.3 -22.7 -10.9 29.4 288 305 A H S X S- 0 0 20 -3,-1.4 3,-2.5 1,-0.1 7,-0.2 -0.595 76.9-116.8 -83.1 149.1 -24.8 -9.9 26.4 289 306 A A G > S+ 0 0 56 1,-0.3 3,-1.4 -2,-0.2 4,-0.2 0.689 110.4 70.2 -61.4 -23.3 -26.4 -12.7 24.3 290 307 A Y G 3 S+ 0 0 4 -27,-0.3 -1,-0.3 1,-0.2 3,-0.3 0.695 101.0 47.4 -62.4 -19.6 -24.4 -11.6 21.3 291 308 A F G X> S+ 0 0 0 -3,-2.5 4,-3.1 -6,-0.2 3,-1.9 0.191 73.9 118.5-110.0 19.0 -21.3 -12.9 23.0 292 309 A A T <4 S+ 0 0 66 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.800 74.8 53.0 -57.0 -31.9 -22.8 -16.2 24.1 293 310 A Q T 34 S+ 0 0 152 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.661 123.1 25.7 -77.5 -16.2 -20.2 -18.2 22.1 294 311 A Y T <4 S+ 0 0 62 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.1 0.650 89.7 111.6-121.4 -24.0 -17.2 -16.4 23.7 295 312 A H < + 0 0 56 -4,-3.1 5,-0.1 -7,-0.2 -8,-0.1 -0.322 29.9 168.8 -66.6 130.9 -18.3 -15.2 27.1 296 313 A D > - 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