==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-APR-10 3MH0 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.V.NAMBOODIRI,M.KARPUSAS,M.BUKHTIYAROVA,E.B.SPRINGMAN . 331 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 65.3 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 11.8 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.9 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 0 1 0 1 0 1 0 1 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 . 2 0 2 1 1 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 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 0 146 0, 0.0 3,-0.1 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 125.6 75.9 22.5 -25.7 2 6 A P - 0 0 77 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.005 360.0 -98.0 -59.5 166.8 75.2 25.8 -27.7 3 7 A T - 0 0 83 2,-0.0 15,-2.2 0, 0.0 2,-0.2 -0.782 42.6-153.6 -84.1 128.6 77.3 28.9 -27.3 4 8 A F E -A 17 0A 29 -2,-0.5 2,-0.3 13,-0.3 11,-0.0 -0.649 7.5-160.3 -94.3 158.7 75.7 31.4 -24.9 5 9 A Y E -A 16 0A 64 11,-2.9 11,-2.3 -2,-0.2 2,-0.3 -0.979 11.1-135.4-135.8 154.8 76.0 35.1 -24.8 6 10 A R E +A 15 0A 158 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.808 26.5 163.2-107.7 144.9 75.3 37.6 -21.9 7 11 A Q E -A 14 0A 75 7,-2.1 7,-2.9 -2,-0.3 2,-0.5 -0.979 30.7-128.5-155.6 151.6 73.5 40.9 -22.1 8 12 A E E +A 13 0A 118 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.934 23.7 178.8-111.1 126.0 71.8 43.3 -19.7 9 13 A L E > S-A 12 0A 24 3,-2.9 3,-1.4 -2,-0.5 -2,-0.0 -0.981 74.7 -17.8-126.2 118.2 68.3 44.4 -20.3 10 14 A N T 3 S- 0 0 134 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.964 127.4 -53.9 49.0 60.0 66.7 46.7 -17.8 11 15 A K T 3 S+ 0 0 180 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.630 116.1 116.0 45.0 23.0 69.3 45.8 -15.1 12 16 A T E < -A 9 0A 48 -3,-1.4 -3,-2.9 2,-0.0 2,-0.6 -0.915 64.2-128.9-114.4 143.4 68.5 42.2 -15.6 13 17 A I E -A 8 0A 56 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.819 20.6-168.0 -91.6 127.1 71.1 39.7 -16.9 14 18 A W E -A 7 0A 4 -7,-2.9 -7,-2.1 -2,-0.6 2,-0.5 -0.956 5.5-174.5-113.6 125.4 70.0 37.5 -19.8 15 19 A E E +A 6 0A 51 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.947 23.6 157.0-120.7 110.7 72.2 34.6 -20.7 16 20 A V E -A 5 0A 2 -11,-2.3 -11,-2.9 -2,-0.5 2,-0.1 -0.879 44.8 -92.6-132.9 156.8 70.9 32.9 -23.8 17 21 A P E > -A 4 0A 5 0, 0.0 3,-1.8 0, 0.0 -13,-0.3 -0.347 41.8-114.0 -63.7 150.9 72.1 30.7 -26.7 18 22 A E T 3 S+ 0 0 106 -15,-2.2 19,-0.2 1,-0.3 -14,-0.1 0.767 108.7 76.1 -64.2 -26.9 73.1 32.5 -29.8 19 23 A R T 3 S+ 0 0 76 -16,-0.2 18,-3.2 1,-0.1 2,-0.7 0.816 85.5 74.6 -50.9 -29.2 70.3 31.2 -31.9 20 24 A Y E < S+B 36 0B 0 -3,-1.8 2,-0.2 16,-0.2 16,-0.2 -0.766 70.2 169.5 -94.9 111.0 68.2 33.8 -30.0 21 25 A Q E +B 35 0B 73 14,-3.0 14,-3.6 -2,-0.7 3,-0.1 -0.684 43.9 34.0-118.9 165.5 68.9 37.4 -31.3 22 26 A N E S- 0 0 114 -2,-0.2 -1,-0.2 12,-0.2 11,-0.1 0.878 72.0-157.6 65.7 42.6 67.5 40.9 -31.0 23 27 A L E - 0 0 16 -3,-0.2 11,-0.2 11,-0.1 -1,-0.2 -0.272 14.5-178.6 -66.1 135.2 66.4 40.6 -27.4 24 28 A S E -B 33 0B 59 9,-2.7 9,-3.3 -3,-0.1 -1,-0.1 -0.970 27.1-118.3-141.3 121.9 63.7 43.1 -26.7 25 29 A P E +B 32 0B 66 0, 0.0 7,-0.2 0, 0.0 -15,-0.0 -0.314 39.8 156.2 -63.1 129.9 61.9 43.8 -23.3 26 30 A V 0 0 88 5,-2.4 6,-0.2 -2,-0.1 18,-0.0 0.610 360.0 360.0-120.6 -32.0 58.2 43.2 -23.4 27 31 A G 0 0 73 4,-1.6 5,-0.1 0, 0.0 19,-0.0 0.243 360.0 360.0-176.8 360.0 57.4 42.5 -19.7 28 ! 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 29 36 A G 0 0 42 0, 0.0 2,-0.3 0, 0.0 19,-0.3 0.000 360.0 360.0 360.0-153.8 60.0 36.4 -14.4 30 37 A S E - C 0 47B 35 17,-1.8 17,-2.4 18,-0.0 2,-0.4 -0.805 360.0-135.3-107.0 154.2 60.6 39.0 -17.1 31 38 A V E - C 0 46B 38 -2,-0.3 -5,-2.4 15,-0.2 -4,-1.6 -0.904 15.0-170.0-113.1 135.6 59.9 38.4 -20.8 32 39 A C E -BC 25 45B 2 13,-3.4 13,-2.9 -2,-0.4 2,-0.2 -0.989 19.2-136.1-116.9 133.7 62.0 39.3 -23.9 33 40 A A E +BC 24 44B 8 -9,-3.3 -9,-2.7 -2,-0.4 2,-0.3 -0.592 36.9 174.1 -70.2 142.4 60.9 39.2 -27.5 34 41 A A E - C 0 43B 0 9,-2.5 9,-2.7 -2,-0.2 2,-0.6 -0.977 35.4-117.2-147.1 165.2 63.6 37.6 -29.7 35 42 A F E -BC 21 42B 68 -14,-3.6 -14,-3.0 -2,-0.3 2,-1.2 -0.911 24.4-146.1-106.7 121.9 64.4 36.4 -33.2 36 43 A D E >>> -BC 20 41B 4 5,-2.9 4,-2.0 -2,-0.6 3,-1.2 -0.732 7.9-165.2 -90.3 99.6 65.0 32.7 -33.3 37 44 A T T 345S+ 0 0 76 -18,-3.2 -1,-0.2 -2,-1.2 -17,-0.1 0.617 82.8 63.6 -61.2 -7.8 67.6 32.3 -36.1 38 45 A K T 345S+ 0 0 153 -19,-0.2 -1,-0.2 1,-0.1 -18,-0.1 0.846 120.9 15.5 -84.6 -35.0 66.9 28.6 -36.2 39 46 A T T <45S- 0 0 73 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.1 0.367 99.4-122.5-115.8 -7.2 63.2 28.7 -37.4 40 47 A G T <5S+ 0 0 40 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.764 71.0 121.3 60.5 30.6 63.2 32.3 -38.5 41 48 A L E < -C 36 0B 89 -5,-0.8 -5,-2.9 0, 0.0 2,-0.3 -0.758 68.2-106.4-117.1 162.9 60.3 33.2 -36.2 42 49 A R E -C 35 0B 146 -2,-0.3 59,-1.1 -7,-0.2 2,-0.3 -0.700 42.9-179.4 -81.4 140.8 59.7 35.7 -33.3 43 50 A V E -CD 34 100B 1 -9,-2.7 -9,-2.5 -2,-0.3 2,-0.5 -0.905 27.0-125.5-136.1 159.9 59.6 34.0 -29.9 44 51 A A E -CD 33 99B 12 55,-2.6 55,-2.9 -2,-0.3 2,-0.5 -0.953 20.8-161.2-108.0 136.5 59.2 35.1 -26.3 45 52 A V E -CD 32 98B 0 -13,-2.9 -13,-3.4 -2,-0.5 2,-0.6 -0.983 5.1-162.0-119.1 121.3 61.9 34.2 -23.9 46 53 A K E -CD 31 97B 50 51,-2.5 51,-2.3 -2,-0.5 2,-0.7 -0.940 5.5-158.4-111.5 117.1 60.9 34.3 -20.3 47 54 A K E -CD 30 96B 34 -17,-2.4 -17,-1.8 -2,-0.6 49,-0.2 -0.899 24.9-129.2 -88.2 118.2 63.6 34.4 -17.6 48 55 A L - 0 0 7 47,-2.2 47,-0.3 -2,-0.7 -18,-0.0 -0.385 17.5-139.3 -66.9 145.7 62.1 33.1 -14.3 49 56 A S S S- 0 0 76 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.962 80.0 -2.2 -80.1 -83.6 62.8 35.5 -11.5 50 57 A R S > S+ 0 0 166 1,-0.2 3,-1.6 2,-0.1 4,-0.3 -0.482 76.2 172.0-109.3 71.3 63.6 33.9 -8.2 51 58 A P T 3 S+ 0 0 13 0, 0.0 10,-0.4 0, 0.0 -1,-0.2 0.783 75.0 20.3 -58.9 -36.3 63.2 30.3 -9.4 52 59 A F T 3 S+ 0 0 21 41,-0.3 6,-0.2 -3,-0.2 268,-0.1 0.159 84.6 116.2-117.5 16.8 64.5 28.4 -6.3 53 60 A Q S < S+ 0 0 114 -3,-1.6 2,-0.3 4,-0.1 -1,-0.1 0.779 83.9 11.0 -63.4 -34.6 64.2 31.0 -3.5 54 61 A S S > S- 0 0 35 -4,-0.3 4,-2.5 -3,-0.2 5,-0.2 -0.911 77.4-108.6-135.7 170.6 61.7 29.0 -1.4 55 62 A I H > S+ 0 0 74 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.920 123.3 52.1 -58.7 -47.8 60.2 25.6 -1.3 56 63 A I H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 114.1 42.7 -59.0 -42.4 57.0 27.2 -2.6 57 64 A H H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 111.4 53.2 -68.0 -40.6 58.9 28.9 -5.4 58 65 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.913 110.6 49.2 -62.8 -38.2 61.0 25.9 -6.3 59 66 A K H X S+ 0 0 24 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.903 111.2 48.1 -70.5 -41.5 57.7 23.8 -6.5 60 67 A R H X S+ 0 0 90 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.812 107.3 55.1 -69.8 -31.8 56.0 26.4 -8.8 61 68 A T H X S+ 0 0 4 -4,-2.1 4,-1.9 -10,-0.4 -1,-0.2 0.945 112.9 44.4 -61.0 -45.6 59.0 26.6 -11.1 62 69 A Y H X S+ 0 0 14 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.944 112.6 51.1 -64.5 -50.9 58.7 22.8 -11.5 63 70 A R H X S+ 0 0 51 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.934 109.5 51.0 -48.1 -50.1 55.0 23.0 -11.9 64 71 A E H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.893 113.2 44.4 -58.9 -44.5 55.4 25.6 -14.6 65 72 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.856 112.4 50.1 -67.5 -45.6 57.9 23.5 -16.6 66 73 A R H X S+ 0 0 35 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.916 113.4 47.7 -59.7 -45.0 56.0 20.3 -16.3 67 74 A L H >X S+ 0 0 9 -4,-2.7 4,-1.6 -5,-0.3 3,-0.7 0.961 112.8 46.9 -61.5 -51.6 52.8 22.0 -17.5 68 75 A L H 3< S+ 0 0 32 -4,-2.4 11,-1.0 1,-0.3 -1,-0.2 0.893 110.6 53.4 -61.6 -36.9 54.5 23.7 -20.4 69 76 A K H 3< S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.795 108.9 51.0 -66.6 -22.3 56.2 20.5 -21.4 70 77 A H H << S+ 0 0 29 -4,-1.2 2,-0.5 -3,-0.7 233,-0.2 0.882 83.2 97.6 -82.1 -34.2 52.9 18.7 -21.5 71 78 A M < + 0 0 10 -4,-1.6 8,-0.4 6,-0.2 2,-0.4 -0.371 35.5 157.6 -68.5 110.0 50.8 21.0 -23.7 72 79 A K + 0 0 146 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.729 33.6 108.7-135.2 79.3 50.7 19.8 -27.2 73 80 A H B > S-F 76 0C 21 3,-0.6 3,-1.6 -2,-0.4 57,-0.0 -0.981 71.1-117.8-153.9 149.6 47.6 21.3 -28.8 74 81 A E T 3 S+ 0 0 117 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.792 114.4 40.5 -62.7 -30.1 46.9 24.1 -31.4 75 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.2 2,-0.1 2,-0.4 0.108 105.1 74.0-109.3 17.3 45.0 26.3 -29.0 76 83 A V B < S-Fg 73 159C 5 -3,-1.6 -3,-0.6 82,-0.2 2,-0.2 -0.999 85.9-115.9-128.0 131.1 47.3 25.9 -25.9 77 84 A I - 0 0 15 82,-2.5 2,-0.2 -2,-0.4 -6,-0.2 -0.477 39.3-170.4 -67.4 133.3 50.7 27.5 -25.7 78 85 A G - 0 0 19 -2,-0.2 2,-0.7 -4,-0.1 22,-0.4 -0.608 29.8 -83.3-120.2 176.4 53.4 24.8 -25.6 79 86 A L + 0 0 10 -11,-1.0 20,-0.2 -8,-0.4 3,-0.1 -0.762 32.7 179.0 -95.2 119.4 57.1 24.8 -25.0 80 87 A L S S- 0 0 43 18,-2.6 2,-0.3 -2,-0.7 19,-0.2 0.875 72.3 -19.0 -81.1 -35.4 59.4 25.7 -27.9 81 88 A D E -E 98 0B 26 17,-1.5 17,-3.6 251,-0.1 2,-0.3 -0.983 51.8-162.0-162.9 158.2 62.6 25.5 -25.9 82 89 A V E +E 97 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.976 24.5 160.4-143.7 136.1 63.9 25.5 -22.3 83 90 A F E -E 96 0B 14 13,-1.7 13,-2.2 -2,-0.3 3,-0.1 -0.959 24.9-155.3-151.4 162.5 67.4 26.1 -21.3 84 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 -68,-0.1 -0.988 25.7-133.5-137.4 144.4 69.9 27.1 -18.6 85 92 A P S S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.855 81.1 105.5 -55.9 -35.0 73.4 28.7 -18.8 86 93 A A - 0 0 11 8,-0.2 2,-0.3 5,-0.2 -2,-0.2 -0.184 56.0-163.2 -51.0 123.0 74.4 26.0 -16.2 87 94 A R S > S+ 0 0 158 1,-0.0 4,-0.6 -86,-0.0 5,-0.0 -0.703 73.7 16.0 -87.3 156.6 76.4 22.9 -17.1 88 95 A S T >4 S- 0 0 40 -2,-0.3 3,-0.7 1,-0.1 4,-0.4 0.669 91.1 -94.9 55.0 141.2 75.8 20.5 -14.2 89 96 A L G >4 S+ 0 0 55 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.813 118.4 64.1 -50.2 -39.0 73.1 20.5 -11.5 90 97 A E G 34 S+ 0 0 158 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.866 106.1 41.7 -65.4 -34.4 75.4 22.4 -9.0 91 98 A E G << S+ 0 0 121 -3,-0.7 2,-0.6 -4,-0.6 -1,-0.3 0.451 86.9 122.7 -86.9 -1.6 75.6 25.5 -11.2 92 99 A F < + 0 0 0 -3,-1.0 3,-0.1 -4,-0.4 232,-0.1 -0.512 20.1 125.5 -67.9 111.7 71.9 25.3 -12.0 93 100 A N + 0 0 92 -2,-0.6 2,-0.3 1,-0.3 -41,-0.3 0.511 55.6 56.7-139.1 -20.3 70.2 28.6 -10.9 94 101 A D - 0 0 46 -3,-0.2 2,-0.4 -43,-0.1 -1,-0.3 -0.908 54.7-163.9-124.7 148.5 68.3 30.1 -13.8 95 102 A V - 0 0 1 -2,-0.3 -47,-2.2 -47,-0.3 2,-0.4 -0.999 3.4-170.1-133.5 131.5 65.6 28.8 -16.0 96 103 A Y E -DE 47 83B 3 -13,-2.2 -13,-1.7 -2,-0.4 2,-0.4 -0.960 5.3-160.0-121.1 141.8 64.5 30.3 -19.3 97 104 A L E -DE 46 82B 8 -51,-2.3 -51,-2.5 -2,-0.4 2,-0.5 -0.985 5.3-154.4-124.6 129.2 61.3 29.2 -21.2 98 105 A V E +DE 45 81B 0 -17,-3.6 -18,-2.6 -2,-0.4 -17,-1.5 -0.869 22.6 160.9-107.2 127.0 60.9 29.8 -24.9 99 106 A T E -D 44 0B 29 -55,-2.9 -55,-2.6 -2,-0.5 2,-0.2 -0.868 46.3 -77.8-135.1 165.9 57.4 30.1 -26.4 100 107 A H E -D 43 0B 74 -22,-0.4 2,-0.8 -2,-0.3 -57,-0.2 -0.529 39.8-135.3 -60.2 129.9 55.7 31.5 -29.6 101 108 A L - 0 0 59 -59,-1.1 -59,-0.2 -2,-0.2 -1,-0.1 -0.791 21.3-172.7 -84.7 111.1 55.3 35.2 -29.5 102 109 A M - 0 0 35 -2,-0.8 51,-0.2 1,-0.1 -1,-0.2 0.820 26.5-134.3 -83.9 -23.2 51.7 35.7 -30.7 103 110 A G S S+ 0 0 71 49,-0.1 2,-0.3 50,-0.0 49,-0.1 0.006 71.4 35.5 101.4 -30.6 51.8 39.6 -30.9 104 111 A A - 0 0 32 47,-0.3 47,-2.3 4,-0.0 2,-0.3 -0.993 64.0-138.0-147.9 156.6 48.5 40.5 -29.2 105 112 A D B >> -H 150 0C 40 -2,-0.3 4,-2.1 45,-0.2 3,-0.5 -0.791 35.0-107.7-108.1 162.8 46.2 39.5 -26.5 106 113 A L H 3> S+ 0 0 0 43,-2.6 4,-1.8 40,-1.0 41,-0.2 0.765 118.8 61.4 -57.0 -27.5 42.3 39.3 -26.5 107 114 A N H 3> S+ 0 0 39 39,-0.6 4,-1.2 42,-0.2 -1,-0.2 0.934 104.9 44.1 -62.6 -51.2 42.4 42.3 -24.2 108 115 A N H <4 S+ 0 0 96 -3,-0.5 4,-0.2 1,-0.2 -2,-0.2 0.909 113.0 55.9 -57.8 -41.6 44.2 44.6 -26.8 109 116 A I H >X S+ 0 0 18 -4,-2.1 3,-0.8 1,-0.2 4,-0.7 0.794 104.2 48.8 -63.5 -43.1 41.8 43.2 -29.5 110 117 A V H 3< S+ 0 0 18 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.794 103.2 63.0 -66.9 -33.5 38.4 44.1 -27.8 111 118 A K T 3< S+ 0 0 154 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.502 119.9 21.1 -69.8 -7.7 39.5 47.7 -27.1 112 119 A C T <4 S+ 0 0 105 -3,-0.8 -2,-0.1 1,-0.4 -3,-0.1 0.539 113.8 56.4-121.4 -88.3 39.8 48.3 -30.9 113 120 A Q < - 0 0 94 -4,-0.7 2,-0.6 1,-0.1 -1,-0.4 -0.286 69.8-141.2 -43.2 124.7 37.9 46.0 -33.2 114 121 A K - 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0 0 2 -4,-2.3 -1,-0.1 -5,-0.4 3,-0.1 0.112 39.0 -51.6 91.1 155.0 19.8 35.9 -9.5 223 241 A T S S- 0 0 35 24,-1.9 26,-0.1 1,-0.1 50,-0.1 -0.331 80.5 -77.9 -58.7 147.5 20.1 34.6 -5.9 224 242 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.173 49.0-125.3 -48.9 139.8 20.7 30.9 -5.7 225 243 A G >> - 0 0 47 -3,-0.1 4,-2.2 1,-0.1 3,-0.9 -0.328 30.2 -96.4 -83.1 171.9 17.6 28.6 -6.2 226 244 A A H 3> S+ 0 0 76 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.836 123.3 59.0 -64.1 -32.9 16.4 26.0 -3.7 227 245 A E H 34 S+ 0 0 102 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.889 109.4 42.7 -63.4 -36.4 18.2 23.3 -5.6 228 246 A L H X4 S+ 0 0 28 -3,-0.9 3,-2.1 1,-0.2 4,-0.3 0.968 110.3 55.8 -75.2 -50.0 21.6 25.0 -5.2 229 247 A L H >< S+ 0 0 52 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.811 97.9 63.9 -46.7 -40.7 21.0 25.9 -1.5 230 248 A K T 3< S+ 0 0 159 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.756 101.4 52.5 -53.0 -27.6 20.4 22.2 -0.7 231 249 A K T < S+ 0 0 83 -3,-2.1 2,-0.8 -4,-0.4 -1,-0.2 0.442 83.2 101.4 -91.9 -1.1 24.0 21.4 -1.7 232 250 A I < - 0 0 18 -3,-1.4 6,-0.1 -4,-0.3 -1,-0.0 -0.764 45.8-179.7 -97.9 110.3 25.6 24.0 0.5 233 251 A S + 0 0 116 -2,-0.8 2,-0.4 4,-0.0 -1,-0.2 0.698 54.0 88.2 -89.2 -23.8 27.0 22.3 3.6 234 252 A S > - 0 0 55 1,-0.1 4,-1.6 2,-0.0 -2,-0.0 -0.636 65.2-150.7 -81.6 130.0 28.4 25.2 5.4 235 253 A E H > S+ 0 0 136 -2,-0.4 4,-0.8 2,-0.2 5,-0.2 0.902 93.3 47.4 -69.5 -39.8 25.9 26.9 7.7 236 254 A S H >> S+ 0 0 84 1,-0.2 4,-2.9 2,-0.2 3,-1.5 0.956 108.4 53.0 -71.8 -45.1 27.4 30.4 7.6 237 255 A A H 3> S+ 0 0 26 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.896 103.1 63.9 -51.9 -39.4 27.7 30.4 3.8 238 256 A R H 3X S+ 0 0 84 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.732 112.9 29.9 -58.0 -30.8 24.0 29.5 3.8 239 257 A N H < S+ 0 0 26 -4,-0.8 3,-2.6 -5,-0.3 -2,-0.2 0.924 109.7 46.8 -89.3 -69.9 23.6 34.0 1.0 242 260 A Q H 3< S+ 0 0 165 -4,-1.3 -2,-0.2 1,-0.3 4,-0.1 0.379 116.0 55.8 -55.6 6.4 19.9 34.4 2.2 243 261 A S T 3< S+ 0 0 103 -4,-0.7 2,-0.3 2,-0.1 -1,-0.3 0.433 84.6 85.3-122.0 -8.9 21.4 37.7 3.5 244 262 A L S < S- 0 0 34 -3,-2.6 -21,-0.0 -5,-0.2 -3,-0.0 -0.713 108.2 -69.3 -77.9 150.0 22.7 39.2 0.3 245 263 A T - 0 0 109 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.148 51.7-113.3 -50.7 126.0 19.8 41.0 -1.5 246 264 A Q + 0 0 152 -4,-0.1 -1,-0.1 -24,-0.1 -4,-0.0 -0.396 48.3 169.6 -55.9 123.1 17.1 38.8 -2.9 247 265 A M - 0 0 53 -2,-0.2 -24,-1.9 -23,-0.1 2,-0.2 -0.999 29.3-128.1-141.6 147.1 17.1 39.0 -6.8 248 266 A P - 0 0 105 0, 0.0 -26,-0.3 0, 0.0 2,-0.2 -0.587 40.3 -92.6 -87.8 156.5 15.5 37.2 -9.8 249 267 A K - 0 0 108 -28,-0.2 -28,-0.2 -2,-0.2 -29,-0.1 -0.479 42.4-127.2 -62.0 127.8 17.4 35.8 -12.7 250 268 A M - 0 0 92 -30,-3.0 2,-0.8 -2,-0.2 3,-0.1 -0.464 22.8-111.5 -70.8 152.0 17.7 38.3 -15.6 251 269 A N >> - 0 0 86 1,-0.2 3,-1.2 -2,-0.1 4,-0.6 -0.807 22.2-154.4 -84.0 113.7 16.5 37.1 -19.0 252 270 A F H >> S+ 0 0 0 -2,-0.8 4,-2.7 1,-0.3 3,-0.6 0.798 94.9 66.2 -61.8 -29.3 19.8 37.1 -21.0 253 271 A A H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.928 107.4 44.9 -54.4 -33.7 17.7 37.6 -24.2 254 272 A N H <4 S+ 0 0 118 -3,-1.2 3,-0.3 1,-0.2 -2,-0.2 0.597 114.5 46.6 -85.4 -15.0 17.1 41.0 -22.5 255 273 A V H << S+ 0 0 48 -4,-0.6 2,-0.7 -3,-0.6 -2,-0.2 0.875 114.1 42.7 -94.9 -44.6 20.6 41.7 -21.5 256 274 A F S >< S- 0 0 9 -4,-2.7 3,-2.0 3,-0.0 -1,-0.2 -0.375 82.4-176.7 -98.3 55.5 22.5 40.8 -24.7 257 275 A I T 3 + 0 0 140 -2,-0.7 3,-0.1 -3,-0.3 -3,-0.1 -0.274 69.0 18.9 -56.1 127.2 20.0 42.6 -27.2 258 276 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.3 -5,-0.2 2,-0.2 0.428 93.6 128.7 90.8 -3.7 21.0 42.1 -30.8 259 277 A A S < S- 0 0 23 -3,-2.0 -1,-0.4 -6,-0.2 -3,-0.0 -0.568 75.6 -89.5 -69.0 146.5 23.2 39.1 -30.1 260 278 A N >> - 0 0 47 -2,-0.2 4,-1.9 1,-0.1 3,-0.8 -0.392 36.3-126.7 -47.7 128.5 22.7 35.9 -32.1 261 279 A P H 3> S+ 0 0 102 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.825 110.2 55.4 -55.7 -34.7 20.0 33.8 -30.2 262 280 A L H 3> S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.843 106.6 51.2 -64.8 -33.5 22.4 30.7 -30.2 263 281 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.893 111.6 47.4 -65.5 -44.4 25.1 32.9 -28.5 264 282 A V H X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 111.1 51.4 -62.3 -45.6 22.5 34.0 -25.8 265 283 A D H X S+ 0 0 60 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.921 110.8 46.8 -56.9 -47.8 21.5 30.4 -25.3 266 284 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.5 0.908 110.2 53.6 -65.9 -41.5 25.1 29.2 -24.8 267 285 A L H >X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-0.5 0.907 105.1 55.7 -52.5 -44.9 25.7 32.1 -22.4 268 286 A E H 3< S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 109.6 46.9 -57.9 -29.0 22.7 30.9 -20.5 269 287 A K H 3< S+ 0 0 85 -4,-1.1 10,-2.4 -3,-0.5 -1,-0.2 0.643 116.7 41.9 -91.1 -16.7 24.3 27.5 -20.2 270 288 A M H << S+ 0 0 0 -4,-1.2 2,-1.5 -3,-0.5 -2,-0.2 0.835 104.8 61.2 -89.7 -42.4 27.7 28.8 -19.1 271 289 A L S < S+ 0 0 4 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 -0.426 70.8 132.4 -88.6 61.5 26.8 31.5 -16.6 272 290 A V - 0 0 43 -2,-1.5 6,-0.1 -3,-0.2 5,-0.1 -0.927 54.7-141.6-115.2 132.1 24.9 29.3 -14.1 273 291 A L S S+ 0 0 30 -2,-0.4 2,-0.6 -52,-0.2 -99,-0.2 0.925 87.5 77.5 -56.8 -47.3 25.8 29.7 -10.3 274 292 A D S > S- 0 0 17 1,-0.2 3,-1.7 -3,-0.1 4,-0.3 -0.542 72.4-156.1 -72.6 114.0 25.5 26.0 -9.8 275 293 A S G > S+ 0 0 27 -2,-0.6 3,-1.4 1,-0.3 -1,-0.2 0.828 88.1 63.1 -62.8 -31.3 28.7 24.4 -11.1 276 294 A D G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.597 105.1 48.2 -65.4 -17.9 27.1 21.0 -11.7 277 295 A K G < S+ 0 0 137 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.384 83.8 110.6-108.3 -2.9 24.7 22.5 -14.2 278 296 A R S < S- 0 0 9 -3,-1.4 -8,-0.2 -4,-0.3 -9,-0.1 -0.496 78.5-105.2 -71.8 145.7 27.3 24.5 -16.3 279 297 A I - 0 0 20 -10,-2.4 2,-0.1 -13,-0.2 -1,-0.1 -0.427 37.9-123.3 -66.0 148.9 27.8 23.2 -19.9 280 298 A T > - 0 0 62 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.404 20.7-108.2 -83.4 165.0 31.2 21.3 -20.2 281 299 A A H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.975 120.5 48.4 -58.5 -53.4 33.9 22.3 -22.8 282 300 A A H > S+ 0 0 52 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.905 113.2 47.9 -51.3 -48.2 33.1 19.1 -24.9 283 301 A Q H 4 S+ 0 0 114 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.872 109.5 52.9 -59.7 -43.8 29.3 19.8 -24.8 284 302 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 6,-0.3 0.832 100.7 59.7 -61.5 -36.5 29.8 23.4 -25.8 285 303 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 105.7 51.2 -63.9 -27.7 31.9 22.5 -28.8 286 304 A A T 3< S+ 0 0 65 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.451 86.6 118.7 -86.9 -2.2 28.8 20.5 -30.0 287 305 A H S X S- 0 0 21 -3,-1.6 3,-2.0 -4,-0.2 7,-0.2 -0.356 76.6-117.1 -69.1 142.6 26.5 23.6 -29.5 288 306 A A G > S+ 0 0 59 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.725 107.6 73.0 -56.7 -24.2 24.6 25.0 -32.5 289 307 A Y G 3 S+ 0 0 2 -27,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.804 101.0 42.1 -59.4 -33.9 26.5 28.3 -32.2 290 308 A F G X> S+ 0 0 0 -3,-2.0 4,-3.1 -6,-0.3 3,-2.7 0.131 74.0 122.4 -99.9 21.3 29.8 26.7 -33.5 291 309 A A T <4 S+ 0 0 67 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.822 73.2 56.2 -56.5 -30.7 28.3 24.6 -36.3 292 310 A Q T 34 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.710 121.8 26.1 -69.4 -21.3 30.5 26.4 -38.8 293 311 A Y T <4 S+ 0 0 61 -3,-2.7 -2,-0.2 -8,-0.1 -1,-0.1 0.706 88.3 110.3-119.1 -31.4 33.6 25.4 -36.9 294 312 A H < + 0 0 66 -4,-3.1 5,-0.1 -7,-0.2 3,-0.1 -0.276 32.6 172.4 -53.9 124.0 33.0 22.2 -34.9 295 313 A D > - 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