==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-OCT-10 3P5K . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.NAMBOODIRI . 332 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 64.5 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 12.7 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 . 24 7.2 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 . 96 28.9 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 1 0 2 0 0 1 0 1 1 0 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 . 1 1 2 0 2 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 0 166 0, 0.0 87,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 75.4 23.1 -25.8 2 6 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.138 360.0-104.5 -71.0 175.5 74.8 26.5 -27.5 3 7 A T - 0 0 80 1,-0.1 15,-1.5 2,-0.0 16,-0.2 -0.863 36.3-146.9-104.9 145.7 76.8 29.6 -26.5 4 8 A F E -A 17 0A 30 -2,-0.4 2,-0.3 13,-0.2 14,-0.1 -0.129 10.0-161.7 -97.9-171.8 75.1 32.2 -24.3 5 9 A Y E -A 16 0A 56 11,-0.6 11,-1.8 12,-0.1 2,-0.3 -0.841 17.1-125.3-170.3 147.4 75.3 36.0 -24.0 6 10 A R E -A 15 0A 162 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.751 24.6-178.9-106.6 146.8 74.3 38.4 -21.4 7 11 A Q E -A 14 0A 64 7,-2.0 7,-1.9 -2,-0.3 2,-0.6 -0.942 25.5-130.3-139.6 155.5 72.0 41.4 -21.7 8 12 A E E +A 13 0A 122 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.952 27.3 175.7-106.0 116.1 70.7 44.1 -19.4 9 13 A L E > -A 12 0A 23 3,-3.2 3,-1.2 -2,-0.6 15,-0.0 -0.886 68.5 -43.4-128.7 107.6 67.0 44.6 -19.8 10 14 A N T 3 S- 0 0 127 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.925 122.0 -36.8 32.2 76.6 65.5 47.1 -17.4 11 15 A K T 3 S+ 0 0 185 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.461 119.9 106.6 70.5 1.9 67.4 46.1 -14.3 12 16 A T E < -A 9 0A 40 -3,-1.2 -3,-3.2 2,-0.0 2,-0.4 -0.924 65.5-134.2-115.1 137.2 67.2 42.4 -15.1 13 17 A I E -A 8 0A 54 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.696 21.2-167.8 -81.0 139.1 70.0 40.2 -16.3 14 18 A W E -A 7 0A 3 -7,-1.9 -7,-2.0 -2,-0.4 2,-0.6 -0.993 7.0-175.2-132.9 122.8 69.0 38.0 -19.2 15 19 A E E +A 6 0A 43 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.930 23.4 153.9-125.7 100.7 71.3 35.2 -20.3 16 20 A V E -A 5 0A 1 -11,-1.8 -11,-0.6 -2,-0.6 -2,-0.1 -0.807 46.1 -88.0-129.7 160.7 70.1 33.5 -23.4 17 21 A P E > -A 4 0A 4 0, 0.0 3,-1.3 0, 0.0 -13,-0.2 -0.344 38.4-115.4 -68.0 163.8 71.4 31.5 -26.3 18 22 A E T 3 S+ 0 0 103 -15,-1.5 20,-0.2 1,-0.3 -14,-0.1 0.775 108.5 80.3 -77.5 -28.0 72.6 33.3 -29.4 19 23 A R T 3 S+ 0 0 58 -16,-0.2 19,-2.3 1,-0.1 2,-0.6 0.868 88.7 67.6 -23.5 -51.6 69.8 31.7 -31.3 20 24 A Y E < +B 37 0B 0 -3,-1.3 2,-0.2 17,-0.2 17,-0.2 -0.752 67.5 162.4 -96.2 113.1 67.6 34.5 -29.7 21 25 A Q E +B 36 0B 75 15,-2.4 15,-3.3 -2,-0.6 3,-0.1 -0.712 46.7 40.9-119.8 171.0 68.2 38.2 -30.7 22 26 A N E S- 0 0 118 -2,-0.2 -1,-0.2 13,-0.2 2,-0.1 0.877 70.4-165.9 64.6 42.4 66.5 41.6 -30.5 23 27 A L E + 0 0 13 -3,-0.2 12,-0.2 12,-0.1 -1,-0.2 -0.396 10.7 177.8 -66.0 131.3 65.2 41.0 -27.0 24 28 A S E -B 34 0B 60 10,-2.8 10,-2.6 -3,-0.1 -15,-0.1 -0.917 29.8-115.8-144.5 117.3 62.6 43.5 -26.1 25 29 A P E +B 33 0B 60 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.042 40.3 158.4 -59.1 150.0 60.6 43.6 -22.8 26 30 A V E + 0 0 89 6,-2.0 2,-0.3 1,-0.3 7,-0.2 0.407 61.2 29.0-141.2 -27.4 56.9 43.0 -23.0 27 31 A G E B 32 0B 18 5,-1.8 5,-2.1 1,-0.1 -1,-0.3 -1.000 360.0 360.0-160.7 140.6 56.1 41.8 -19.5 28 32 A S 0 0 143 -2,-0.3 -1,-0.1 3,-0.2 3,-0.0 0.199 360.0 360.0-159.0 360.0 57.0 42.0 -15.8 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 43 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 155.6 58.8 36.0 -14.3 31 37 A S E - C 0 48B 13 17,-1.5 17,-3.0 2,-0.0 2,-0.4 -0.923 360.0-144.9-122.6 161.9 59.4 38.7 -16.8 32 38 A V E -BC 27 47B 20 -5,-2.1 -6,-2.0 -2,-0.3 -5,-1.8 -0.974 11.7-170.1-130.1 131.7 58.8 38.1 -20.6 33 39 A C E -BC 25 46B 1 13,-2.6 13,-3.3 -2,-0.4 2,-0.2 -0.972 21.7-130.9-117.9 140.7 60.7 39.5 -23.6 34 40 A A E +BC 24 45B 18 -10,-2.6 -10,-2.8 -2,-0.4 2,-0.3 -0.566 39.8 168.3 -66.9 148.5 59.8 39.4 -27.3 35 41 A A E - C 0 44B 5 9,-2.2 9,-3.1 -12,-0.2 2,-0.5 -0.972 35.9-111.5-157.8 168.1 62.8 38.1 -29.4 36 42 A F E -BC 21 43B 69 -15,-3.3 -15,-2.4 -2,-0.3 2,-0.8 -0.929 22.1-144.8-113.0 130.0 63.6 36.9 -32.9 37 43 A D E >>> -BC 20 42B 1 5,-3.2 4,-2.7 -2,-0.5 3,-1.3 -0.853 10.9-170.1 -98.3 105.2 64.6 33.2 -33.3 38 44 A T T 345S+ 0 0 75 -19,-2.3 -1,-0.1 -2,-0.8 -18,-0.1 0.648 80.9 66.1 -67.8 -17.7 67.2 33.0 -36.1 39 45 A K T 345S+ 0 0 148 -20,-0.2 -1,-0.3 1,-0.2 -19,-0.1 0.621 124.3 13.2 -86.3 -9.9 67.0 29.2 -36.3 40 46 A T T <45S- 0 0 73 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.456 98.4-123.1-129.5 -19.9 63.4 29.4 -37.6 41 47 A G T <5 + 0 0 34 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.579 69.2 128.7 80.0 12.3 63.2 33.1 -38.5 42 48 A H E < -C 37 0B 111 -5,-0.8 -5,-3.2 -6,-0.0 2,-0.3 -0.675 63.4-111.3-104.9 154.6 60.1 33.5 -36.2 43 49 A R E -C 36 0B 168 -2,-0.3 59,-2.5 -7,-0.2 2,-0.3 -0.633 40.5-174.6 -78.8 136.1 59.3 35.9 -33.4 44 50 A V E -CD 35 101B 0 -9,-3.1 -9,-2.2 -2,-0.3 2,-0.4 -0.846 25.2-131.8-125.3 163.1 59.2 34.3 -29.9 45 51 A A E -CD 34 100B 17 55,-2.6 55,-2.2 -2,-0.3 2,-0.5 -0.969 22.3-158.4-112.7 131.7 58.3 35.2 -26.3 46 52 A V E -CD 33 99B 1 -13,-3.3 -13,-2.6 -2,-0.4 2,-0.6 -0.968 1.5-160.1-113.7 119.8 60.9 34.3 -23.7 47 53 A K E -CD 32 98B 45 51,-2.7 51,-2.6 -2,-0.5 2,-0.6 -0.912 0.5-162.6 -99.5 123.8 59.9 34.0 -20.0 48 54 A K E -CD 31 97B 19 -17,-3.0 -17,-1.5 -2,-0.6 49,-0.2 -0.932 23.1-128.8 -97.9 122.3 62.5 34.1 -17.4 49 55 A L - 0 0 10 47,-2.7 2,-0.7 -2,-0.6 47,-0.3 -0.444 20.4-128.4 -71.7 131.8 61.3 32.7 -14.1 50 56 A S S S- 0 0 70 1,-0.2 -1,-0.1 -2,-0.2 45,-0.1 -0.764 78.3 -21.4 -87.3 121.0 61.9 35.1 -11.2 51 57 A R S > S- 0 0 169 -2,-0.7 3,-1.7 1,-0.1 4,-0.3 0.921 75.5-174.5 67.3 52.3 63.6 33.5 -8.2 52 58 A P T 3 S+ 0 0 3 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.801 76.3 29.5 -59.1 -28.7 62.6 30.0 -9.2 53 59 A F T 3 S+ 0 0 12 41,-0.3 6,-0.1 1,-0.1 -2,-0.1 0.044 80.6 113.7-121.7 24.0 64.0 28.3 -6.1 54 60 A Q S < S+ 0 0 113 -3,-1.7 2,-0.2 2,-0.0 -1,-0.1 0.878 86.7 9.0 -70.8 -40.1 63.7 30.9 -3.3 55 61 A S S > S- 0 0 41 -4,-0.3 4,-2.0 -3,-0.2 5,-0.1 -0.741 82.2-102.7-131.3 175.6 61.1 29.0 -1.2 56 62 A I H > S+ 0 0 80 -2,-0.2 4,-2.6 2,-0.2 5,-0.1 0.893 124.9 49.6 -68.5 -39.2 59.5 25.5 -1.3 57 63 A I H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.828 111.3 46.9 -67.7 -40.4 56.5 27.1 -2.8 58 64 A H H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 113.6 51.2 -63.7 -41.7 58.5 28.9 -5.5 59 65 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.920 112.4 43.5 -63.0 -48.5 60.4 25.7 -6.1 60 66 A K H X S+ 0 0 28 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.839 113.2 52.6 -66.8 -38.9 57.2 23.7 -6.5 61 67 A R H X S+ 0 0 128 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.839 108.4 51.2 -62.4 -37.5 55.5 26.4 -8.7 62 68 A T H X S+ 0 0 8 -4,-2.0 4,-2.1 -10,-0.4 -2,-0.2 0.944 113.0 44.1 -68.8 -46.3 58.6 26.5 -11.0 63 69 A Y H X S+ 0 0 20 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.913 111.5 56.0 -63.6 -44.0 58.4 22.7 -11.4 64 70 A R H X S+ 0 0 72 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.910 108.2 46.1 -51.5 -48.8 54.7 22.9 -11.8 65 71 A E H X S+ 0 0 38 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.919 112.6 50.0 -70.0 -40.3 54.9 25.4 -14.8 66 72 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.954 112.6 46.2 -59.8 -46.4 57.7 23.4 -16.5 67 73 A R H X S+ 0 0 33 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.935 115.0 48.0 -65.0 -44.9 55.7 20.1 -16.3 68 74 A L H >X S+ 0 0 41 -4,-2.4 4,-2.1 -5,-0.2 3,-1.8 0.979 113.3 45.4 -59.5 -57.3 52.5 21.8 -17.5 69 75 A L H 3< S+ 0 0 20 -4,-2.7 11,-0.6 1,-0.3 -1,-0.2 0.875 110.3 54.9 -57.7 -40.0 54.0 23.6 -20.4 70 76 A K H 3< S+ 0 0 36 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.687 112.3 45.4 -61.2 -19.7 56.0 20.4 -21.5 71 77 A H H << S+ 0 0 39 -3,-1.8 2,-0.4 -4,-0.8 -2,-0.2 0.820 87.0 97.2 -94.0 -33.3 52.7 18.6 -21.5 72 78 A M < + 0 0 8 -4,-2.1 8,-0.4 -5,-0.1 2,-0.3 -0.414 39.9 160.5 -68.9 112.7 50.5 21.1 -23.4 73 79 A K + 0 0 168 -2,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.753 29.6 109.4-136.6 80.1 50.4 20.1 -27.1 74 80 A H B > -F 77 0C 21 3,-0.5 3,-1.8 -2,-0.3 57,-0.0 -0.979 69.1-120.1-157.9 144.8 47.4 21.7 -28.7 75 81 A E T 3 S+ 0 0 122 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.760 112.5 44.0 -59.4 -32.7 46.7 24.5 -31.3 76 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.2 2,-0.1 2,-0.4 0.090 106.5 71.2-101.9 21.5 44.7 26.7 -28.9 77 83 A V B < S-Fg 74 160C 5 -3,-1.8 -3,-0.5 82,-0.3 84,-0.2 -0.999 92.4 -97.4-136.5 138.6 47.0 26.3 -25.9 78 84 A I - 0 0 31 82,-3.0 2,-0.3 -2,-0.4 -2,-0.1 -0.215 46.0-168.6 -49.8 136.6 50.4 27.8 -25.3 79 85 A G - 0 0 19 22,-0.1 2,-0.6 -6,-0.1 22,-0.3 -0.882 22.4-105.8-130.7 161.0 53.2 25.2 -26.1 80 86 A L + 0 0 14 -11,-0.6 20,-0.2 -8,-0.4 3,-0.1 -0.802 27.4 174.2 -95.3 121.1 56.9 25.1 -25.5 81 87 A L S S- 0 0 55 18,-3.1 2,-0.3 -2,-0.6 19,-0.2 0.790 75.5 -12.1 -81.3 -35.1 59.4 25.7 -28.3 82 88 A D E -E 99 0B 26 17,-1.3 17,-2.9 250,-0.1 -1,-0.3 -0.974 50.8-160.6-159.3 160.7 62.4 25.5 -26.0 83 89 A V E +E 98 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.936 26.7 160.7-148.3 132.7 63.5 25.5 -22.4 84 90 A F E -E 97 0B 14 13,-2.0 13,-2.1 -2,-0.3 -2,-0.0 -0.966 24.6-157.4-147.1 165.4 67.0 26.4 -21.3 85 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -69,-0.1 -0.985 27.0-131.9-138.7 144.5 69.3 27.5 -18.5 86 92 A P S S+ 0 0 13 0, 0.0 -82,-0.1 0, 0.0 7,-0.1 0.743 77.5 113.6 -57.3 -23.5 72.7 29.2 -18.5 87 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.234 52.8-165.9 -63.3 133.7 73.7 26.4 -15.9 88 94 A R S S+ 0 0 169 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.588 75.7 14.3 -89.4 -14.1 76.3 23.9 -16.9 89 95 A S S > S- 0 0 37 1,-0.1 4,-1.2 0, 0.0 -1,-0.1 -0.970 82.1 -98.8-154.7 167.3 75.4 21.7 -13.9 90 96 A L T 4 S+ 0 0 54 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.859 123.6 52.9 -57.1 -36.8 72.8 21.0 -11.2 91 97 A E T 4 S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.884 111.0 45.5 -68.6 -42.3 75.1 22.9 -8.8 92 98 A E T 4 S+ 0 0 123 -6,-0.0 -1,-0.2 2,-0.0 -2,-0.2 0.707 89.0 121.8 -64.0 -21.6 75.2 25.9 -11.1 93 99 A F < + 0 0 0 -4,-1.2 3,-0.1 -3,-0.2 231,-0.1 -0.235 18.2 121.5 -66.0 112.3 71.4 25.7 -11.7 94 100 A N + 0 0 80 1,-0.3 2,-0.3 -2,-0.2 -41,-0.3 0.553 57.7 53.2-144.2 -12.4 69.4 28.8 -10.7 95 101 A D - 0 0 51 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.952 54.8-160.7-122.2 152.9 67.4 30.3 -13.6 96 102 A V - 0 0 1 -2,-0.3 -47,-2.7 -47,-0.3 2,-0.4 -0.986 5.7-168.8-128.1 135.1 64.8 28.7 -16.0 97 103 A Y E -DE 48 84B 1 -13,-2.1 -13,-2.0 -2,-0.4 2,-0.4 -0.991 3.2-163.6-123.1 141.5 63.8 30.2 -19.3 98 104 A L E -DE 47 83B 7 -51,-2.6 -51,-2.7 -2,-0.4 2,-0.4 -0.947 6.3-153.1-128.2 141.6 60.9 29.0 -21.3 99 105 A V E +DE 46 82B 1 -17,-2.9 -18,-3.1 -2,-0.4 -17,-1.3 -0.955 17.9 164.6-122.6 131.8 60.3 29.7 -25.0 100 106 A T E -D 45 0B 20 -55,-2.2 -55,-2.6 -2,-0.4 2,-0.1 -0.969 46.5 -81.6-138.2 161.7 57.0 29.9 -27.0 101 107 A H E -D 44 0B 73 -22,-0.3 2,-0.6 -2,-0.3 -57,-0.3 -0.401 53.9-116.2 -61.1 122.9 55.8 31.3 -30.5 102 108 A L - 0 0 41 -59,-2.5 2,-0.5 -67,-0.2 -59,-0.2 -0.549 25.9-164.5 -64.8 112.4 55.1 35.0 -30.1 103 109 A M - 0 0 30 -2,-0.6 50,-0.1 1,-0.1 49,-0.1 -0.894 14.8-143.7 -94.0 134.7 51.6 35.9 -30.6 104 110 A G + 0 0 72 -2,-0.5 2,-0.3 48,-0.1 49,-0.1 0.308 69.0 26.3 -89.1 8.1 51.4 39.7 -31.1 105 111 A A E -H 152 0C 27 47,-0.6 47,-2.6 4,-0.0 2,-0.3 -0.985 61.6-135.7-159.6 156.6 48.2 40.6 -29.3 106 112 A D E > -H 151 0C 35 -2,-0.3 4,-1.7 45,-0.3 3,-0.2 -0.776 38.4-104.8-108.1 164.8 45.8 39.6 -26.6 107 113 A L H > S+ 0 0 0 43,-1.9 4,-1.9 40,-1.2 41,-0.2 0.751 117.8 64.0 -63.1 -25.1 42.1 39.6 -26.8 108 114 A N H > S+ 0 0 58 39,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.969 103.9 48.6 -55.0 -53.5 41.9 42.8 -24.7 109 115 A N H > S+ 0 0 75 -3,-0.2 4,-0.6 1,-0.2 3,-0.3 0.943 111.9 47.7 -49.5 -53.4 43.7 44.6 -27.4 110 116 A I H >X S+ 0 0 26 -4,-1.7 4,-0.7 1,-0.2 3,-0.6 0.828 111.3 52.8 -56.9 -39.6 41.4 43.2 -30.1 111 117 A V H 3< S+ 0 0 25 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.809 102.0 56.4 -69.6 -39.8 38.2 44.1 -28.1 112 118 A K H 3< S+ 0 0 132 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.541 119.3 26.1 -80.9 -3.8 39.0 47.7 -27.4 113 119 A C H << S+ 0 0 94 -3,-0.6 2,-0.3 -4,-0.6 -1,-0.2 0.339 113.1 52.1-145.0 20.9 39.3 48.8 -31.1 114 120 A Q S < S- 0 0 106 -4,-0.7 2,-0.7 -3,-0.2 -1,-0.3 -0.944 70.5-135.5-140.8 131.1 37.3 46.5 -33.4 115 121 A K - 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0 0 1 -4,-2.1 -1,-0.2 -5,-0.4 27,-0.1 0.031 38.0 -45.2 79.8 169.5 19.5 36.4 -9.5 223 241 A T S S- 0 0 32 24,-1.4 26,-0.1 1,-0.1 50,-0.1 -0.439 80.2 -77.7 -72.0 148.1 19.8 35.1 -5.9 224 242 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.235 52.6-130.1 -49.8 130.5 20.5 31.4 -5.5 225 243 A G >> - 0 0 45 -3,-0.1 4,-2.6 1,-0.0 3,-1.1 -0.283 29.5 -91.7 -77.4 165.2 17.4 29.3 -6.1 226 244 A A H 3> S+ 0 0 82 1,-0.3 4,-2.6 2,-0.2 -1,-0.0 0.851 124.4 53.8 -46.6 -48.3 16.1 26.5 -3.7 227 245 A E H 34 S+ 0 0 105 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.811 112.9 44.1 -59.7 -36.2 18.1 23.7 -5.5 228 246 A L H X4 S+ 0 0 27 -3,-1.1 3,-1.9 2,-0.2 4,-0.3 0.923 110.7 51.8 -73.9 -48.1 21.3 25.6 -5.1 229 247 A L H >< S+ 0 0 39 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.907 102.5 63.6 -59.6 -38.4 20.8 26.7 -1.4 230 248 A K T 3< S+ 0 0 176 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.708 98.9 53.7 -52.4 -21.8 20.1 23.1 -0.6 231 249 A K T < S+ 0 0 89 -3,-1.9 2,-0.8 -4,-0.3 -1,-0.2 0.419 80.3 104.4-100.0 2.0 23.7 22.1 -1.6 232 250 A I < - 0 0 9 -3,-1.7 6,-0.1 -4,-0.3 -1,-0.0 -0.758 44.0-179.7 -92.8 106.5 25.5 24.5 0.7 233 251 A S + 0 0 122 -2,-0.8 2,-0.6 5,-0.0 -1,-0.2 0.769 57.3 91.9 -80.5 -28.7 26.8 22.6 3.8 234 252 A S > - 0 0 50 1,-0.2 4,-1.8 2,-0.0 -2,-0.0 -0.572 65.8-155.5 -67.4 112.5 28.3 25.6 5.5 235 253 A E H > S+ 0 0 129 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.907 91.1 51.0 -56.1 -41.1 25.6 26.9 7.8 236 254 A S H > S+ 0 0 86 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.940 104.2 52.3 -70.8 -52.3 27.2 30.4 7.7 237 255 A A H > S+ 0 0 36 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.950 113.6 49.1 -42.0 -56.6 27.5 30.9 3.9 238 256 A R H >X S+ 0 0 72 -4,-1.8 3,-2.1 1,-0.2 4,-0.7 0.944 102.4 55.7 -47.5 -69.4 23.8 30.0 3.7 239 257 A N H 3< S+ 0 0 67 -4,-2.0 4,-0.4 1,-0.3 3,-0.4 0.738 106.8 51.6 -44.7 -46.9 22.2 32.2 6.3 240 258 A Y H >< S+ 0 0 125 -4,-1.4 3,-1.3 1,-0.2 -1,-0.3 0.828 99.0 63.2 -51.6 -46.6 23.5 35.3 4.9 241 259 A I H X< S+ 0 0 19 -3,-2.1 3,-1.9 -4,-1.0 5,-0.3 0.818 95.4 55.3 -65.2 -40.3 22.4 34.8 1.3 242 260 A Q T 3< S+ 0 0 92 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.639 106.8 55.0 -67.0 -13.9 18.6 34.9 1.8 243 261 A S T < S+ 0 0 101 -3,-1.3 2,-1.7 -4,-0.4 -1,-0.3 0.502 82.7 102.9 -83.8 -5.2 19.1 38.2 3.4 244 262 A L S < S- 0 0 45 -3,-1.9 2,-0.8 -4,-0.2 -1,-0.1 -0.161 105.7 -89.2 -87.5 47.7 20.9 39.5 0.3 245 263 A A - 0 0 76 -2,-1.7 -1,-0.2 -3,-0.1 -3,-0.1 -0.305 57.5-119.4 86.1 -47.0 18.2 41.6 -1.3 246 264 A Q - 0 0 131 -2,-0.8 -24,-0.1 -5,-0.3 -4,-0.0 0.221 35.2-155.7 65.4 149.9 16.7 38.7 -3.3 247 265 A M - 0 0 57 -26,-0.1 -24,-1.4 -23,-0.1 2,-0.1 -0.968 17.3-120.7-160.1 130.5 16.8 39.1 -7.1 248 266 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 -26,-0.3 -0.523 38.3-113.1 -66.0 145.9 15.0 37.8 -10.1 249 267 A K - 0 0 105 -28,-0.2 -28,-0.2 -27,-0.1 2,-0.2 -0.718 42.5-121.1 -71.1 134.1 17.3 36.1 -12.6 250 268 A M - 0 0 85 -30,-2.9 2,-0.7 -2,-0.4 3,-0.1 -0.499 18.1-108.2 -78.5 148.6 17.2 38.5 -15.5 251 269 A N >> - 0 0 80 -2,-0.2 4,-1.5 1,-0.2 3,-1.2 -0.696 27.1-155.0 -72.1 115.5 16.0 37.3 -19.0 252 270 A F H 3> S+ 0 0 0 -2,-0.7 4,-3.2 1,-0.3 -1,-0.2 0.827 90.9 63.7 -66.0 -36.3 19.3 37.2 -21.0 253 271 A A H 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.833 106.5 46.2 -53.3 -29.4 17.5 37.7 -24.3 254 272 A N H X4 S+ 0 0 117 -3,-1.2 3,-0.6 1,-0.1 -2,-0.2 0.958 113.5 48.4 -79.8 -41.7 16.5 41.1 -22.9 255 273 A V H 3< S+ 0 0 58 -4,-1.5 2,-0.8 1,-0.3 -2,-0.2 0.833 113.9 42.8 -68.6 -41.0 20.0 41.9 -21.7 256 274 A F T >< S- 0 0 8 -4,-3.2 3,-2.2 1,-0.2 -1,-0.3 -0.432 84.4-178.4-105.4 63.8 22.0 41.0 -24.9 257 275 A I T < + 0 0 157 -2,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.679 67.6 24.3 -40.7 -55.6 19.4 42.7 -27.1 258 276 A G T 3 S+ 0 0 77 2,-0.0 -1,-0.3 -4,-0.0 2,-0.1 0.179 93.0 126.0-103.5 23.0 20.5 42.3 -30.7 259 277 A A S < S- 0 0 26 -3,-2.2 5,-0.1 -6,-0.2 -3,-0.1 -0.476 75.2 -87.7 -83.1 148.9 22.6 39.1 -30.3 260 278 A N > - 0 0 44 1,-0.2 4,-2.1 -2,-0.1 3,-0.4 -0.275 37.9-132.2 -39.2 120.6 22.3 35.9 -32.2 261 279 A P H > S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.790 108.1 58.3 -61.9 -23.1 19.7 33.9 -30.1 262 280 A L H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 27,-0.2 0.900 105.8 49.5 -67.9 -38.7 22.0 30.9 -30.2 263 281 A A H > S+ 0 0 0 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.939 110.5 50.7 -62.4 -42.1 24.7 33.0 -28.5 264 282 A V H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.921 109.6 49.7 -59.2 -47.5 22.2 34.1 -25.9 265 283 A D H X S+ 0 0 50 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.914 110.5 49.9 -57.5 -46.6 21.2 30.5 -25.3 266 284 A L H >X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 3,-0.9 0.936 110.0 51.7 -59.0 -48.9 24.9 29.4 -24.9 267 285 A L H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 3,-0.9 0.898 105.6 54.7 -53.2 -47.3 25.4 32.3 -22.4 268 286 A E H 3< S+ 0 0 56 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.799 110.4 47.6 -55.6 -26.2 22.4 31.2 -20.4 269 287 A K H << S+ 0 0 79 -4,-1.1 10,-2.4 -3,-0.9 -1,-0.2 0.612 116.7 41.1 -95.1 -14.0 24.1 27.8 -20.1 270 288 A M H << S+ 0 0 0 -4,-1.0 2,-1.0 -3,-0.9 -2,-0.2 0.773 107.2 59.1 -95.9 -35.3 27.5 29.1 -19.1 271 289 A L S < S+ 0 0 3 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.1 -0.408 72.4 135.3 -97.4 52.1 26.5 31.9 -16.6 272 290 A V - 0 0 45 -2,-1.0 6,-0.1 -3,-0.2 5,-0.1 -0.853 54.2-140.6 -98.7 138.4 24.6 29.7 -14.2 273 291 A L S S+ 0 0 30 -2,-0.4 2,-0.8 -52,-0.2 -99,-0.2 0.953 88.5 73.3 -62.9 -49.8 25.3 30.2 -10.5 274 292 A D S > S- 0 0 19 1,-0.2 3,-2.4 3,-0.1 4,-0.3 -0.510 71.8-156.6 -69.2 111.4 25.2 26.5 -9.8 275 293 A S G > S+ 0 0 27 -2,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.806 90.7 64.0 -63.1 -27.3 28.5 25.1 -11.2 276 294 A D G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.598 105.3 48.6 -63.2 -11.9 27.0 21.6 -11.4 277 295 A K G < S+ 0 0 105 -3,-2.4 2,-0.4 -5,-0.1 -1,-0.2 0.388 85.5 107.7-113.5 1.9 24.5 23.1 -14.0 278 296 A R S < S- 0 0 9 -3,-1.2 -8,-0.2 -4,-0.3 -9,-0.1 -0.686 78.2-104.1 -82.3 137.0 27.0 24.9 -16.2 279 297 A I - 0 0 18 -10,-2.4 2,-0.1 -2,-0.4 -1,-0.1 -0.192 35.8-125.3 -47.6 139.4 27.7 23.5 -19.7 280 298 A T > - 0 0 56 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.389 22.7-108.8 -83.9 165.7 31.1 21.7 -20.0 281 299 A A H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -148,-0.2 0.910 120.8 48.9 -64.4 -41.8 33.6 22.7 -22.7 282 300 A A H > S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.927 113.1 47.6 -67.0 -40.0 33.0 19.5 -24.7 283 301 A Q H >4 S+ 0 0 113 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.886 109.5 53.7 -57.8 -43.5 29.2 20.0 -24.5 284 302 A A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 6,-0.2 0.833 100.9 60.4 -64.2 -37.4 29.6 23.7 -25.6 285 303 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 104.2 49.4 -58.5 -33.8 31.5 22.6 -28.6 286 304 A A T << S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.423 86.5 117.8 -82.9 -3.9 28.5 20.6 -29.8 287 305 A H S X S- 0 0 24 -3,-1.4 3,-2.3 -4,-0.2 7,-0.1 -0.428 76.4-120.5 -69.2 141.6 26.2 23.6 -29.2 288 306 A A G > S+ 0 0 60 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.752 104.7 76.6 -59.6 -23.8 24.5 24.9 -32.4 289 307 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.2 -1,-0.3 0.836 99.7 46.1 -49.9 -30.5 26.1 28.4 -32.1 290 308 A F G X> S+ 0 0 0 -3,-2.3 4,-2.8 -6,-0.2 3,-2.6 0.123 72.3 123.0-103.4 22.0 29.3 26.8 -33.4 291 309 A A T <4 S+ 0 0 68 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.842 74.7 54.5 -53.3 -34.1 27.8 24.7 -36.3 292 310 A Q T 34 S+ 0 0 149 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.576 121.4 26.5 -77.1 -9.5 30.1 26.4 -38.7 293 311 A Y T <4 S+ 0 0 65 -3,-2.6 -2,-0.2 -8,-0.1 -1,-0.2 0.623 88.0 109.8-124.3 -26.0 33.3 25.5 -36.8 294 312 A H < + 0 0 61 -4,-2.8 5,-0.1 -7,-0.1 -8,-0.0 -0.326 32.8 171.9 -57.8 127.4 32.7 22.4 -34.8 295 313 A D > - 0 0 70 3,-0.1 3,-2.4 1,-0.1 -1,-0.0 -0.837 18.8-161.0-130.2 106.3 34.5 19.3 -36.0 296 314 A P T 3 S+ 0 0 83 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.659 92.2 53.7 -59.9 -12.8 34.2 16.4 -33.6 297 315 A D T 3 S+ 0 0 153 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.343 108.7 51.4-101.2 2.7 37.2 14.6 -35.1 298 316 A D S < S+ 0 0 76 -3,-2.4 -1,-0.2 1,-0.1 -3,-0.1 -0.089 80.1 89.2-134.6 41.3 39.3 17.7 -34.6 299 317 A E - 0 0 10 -3,-0.4 -1,-0.1 -5,-0.1 -14,-0.0 -0.729 67.9-166.0-125.0 74.3 38.9 18.6 -31.0 300 318 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.196 9.6-141.2 -73.0 160.9 41.7 16.5 -29.5 301 319 A V - 0 0 83 -164,-0.1 2,-0.2 -165,-0.1 -167,-0.2 -0.634 26.6 -96.9-113.4 171.5 42.2 15.6 -25.8 302 320 A A - 0 0 13 -168,-0.5 3,-0.1 -169,-0.2 -230,-0.1 -0.588 31.5-106.6 -90.8 151.7 45.4 15.5 -23.8 303 321 A D - 0 0 119 -2,-0.2 -1,-0.1 -232,-0.2 -232,-0.0 -0.241 62.3 -71.1 -52.8 152.5 47.6 12.5 -23.0 304 322 A P - 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.315 50.2-148.6 -58.2 139.9 47.4 11.5 -19.4 305 323 A Y - 0 0 22 -3,-0.1 2,-1.1 -167,-0.1 -237,-0.0 -0.950 4.1-143.5-116.2 117.4 49.1 14.0 -17.2 306 324 A D + 0 0 96 -2,-0.6 3,-0.3 1,-0.1 -168,-0.0 -0.652 30.8 162.7 -80.7 99.3 50.7 12.7 -14.0 307 325 A Q > + 0 0 47 -2,-1.1 3,-2.0 1,-0.2 4,-0.2 0.125 32.2 120.1-110.1 32.8 50.1 15.4 -11.5 308 326 A S G > + 0 0 50 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.805 62.2 76.6 -61.2 -28.6 50.8 13.3 -8.3 309 327 A F G > S+ 0 0 4 -3,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.799 79.9 74.8 -47.8 -27.2 53.6 15.9 -7.5 310 328 A E G < S+ 0 0 63 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.820 95.1 45.2 -60.7 -35.9 50.8 18.2 -6.5 311 329 A S G < S+ 0 0 102 -3,-1.8 -1,-0.3 -4,-0.2 2,-0.2 0.503 96.0 104.7 -82.5 -4.3 50.2 16.3 -3.2 312 330 A R < - 0 0 103 -3,-1.7 2,-0.6 -4,-0.4 -3,-0.0 -0.500 54.2-159.4 -89.1 145.2 54.0 16.1 -2.4 313 331 A D + 0 0 157 -2,-0.2 2,-0.2 -253,-0.0 -3,-0.0 -0.924 32.0 164.3-123.8 97.5 55.9 18.2 0.2 314 332 A L - 0 0 38 -2,-0.6 -254,-0.1 -258,-0.1 2,-0.1 -0.676 39.3 -90.7-116.5 170.0 59.5 18.0 -0.8 315 333 A L >> - 0 0 106 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.404 38.2-111.9 -70.0 147.5 62.8 19.9 -0.1 316 334 A I H 3> S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.936 120.2 50.2 -39.5 -54.4 63.9 22.9 -2.2 317 335 A D H 3> S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.758 108.3 53.6 -62.6 -28.8 66.8 20.9 -3.6 318 336 A E H <> S+ 0 0 85 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.962 110.9 43.5 -68.5 -54.5 64.4 18.0 -4.5 319 337 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.869 115.9 52.1 -51.1 -37.6 62.0 20.3 -6.5 320 338 A K H X S+ 0 0 30 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.937 108.9 47.0 -72.7 -47.7 65.1 21.9 -8.0 321 339 A S H X S+ 0 0 40 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.841 112.4 50.5 -58.2 -37.1 66.7 18.6 -9.0 322 340 A L H X S+ 0 0 52 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.904 109.9 50.2 -69.5 -37.8 63.3 17.5 -10.5 323 341 A T H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.920 109.4 53.7 -67.7 -37.8 63.1 20.8 -12.5 324 342 A Y H X S+ 0 0 42 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.918 105.0 51.9 -64.1 -40.6 66.6 20.1 -13.7 325 343 A D H X S+ 0 0 87 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.871 109.3 50.8 -59.6 -42.5 65.7 16.6 -15.0 326 344 A E H < S+ 0 0 41 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.853 107.4 53.3 -65.5 -33.5 62.7 18.1 -17.0 327 345 A V H >< S+ 0 0 16 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.943 113.5 43.3 -65.8 -44.5 65.0 20.7 -18.5 328 346 A I H 3< S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.832 111.8 52.7 -69.2 -38.2 67.4 18.0 -19.7 329 347 A S T 3< S+ 0 0 64 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.2 0.457 81.7 126.3 -80.3 1.5 64.7 15.7 -20.9 330 348 A F < - 0 0 33 -3,-0.9 -247,-0.1 -4,-0.4 -3,-0.0 -0.411 39.8-168.4 -70.3 130.8 63.1 18.4 -23.1 331 349 A V - 0 0 121 -2,-0.2 -2,-0.1 -261,-0.1 -249,-0.0 -0.977 20.3-132.1-115.7 121.8 62.6 17.5 -26.8 332 350 A P - 0 0 71 0, 0.0 -251,-0.1 0, 0.0 -250,-0.1 -0.270 29.6 -96.3 -71.2 156.4 61.6 20.4 -29.0 333 351 A P 0 0 71 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.331 360.0 360.0 -62.5 157.4 58.7 20.1 -31.4 334 352 A P 0 0 187 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.048 360.0 360.0 -28.3 360.0 59.6 19.2 -35.0