==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 28-JUN-12 3VUH . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAKANIWA,T.KINOSHITA,T.INOUE . 365 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 5 0 1 0 0 1 1 1 0 0 0 1 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 1 2 0 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 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 7 A D 0 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.2 -65.6 -45.5 11.7 2 8 A N - 0 0 90 1,-0.1 16,-0.1 2,-0.0 0, 0.0 0.241 360.0-108.2 -81.8-179.2 -65.3 -42.2 9.8 3 9 A N S S+ 0 0 111 85,-0.1 15,-2.0 14,-0.1 2,-0.1 0.859 94.8 43.6 -77.9 -38.4 -63.8 -40.8 6.5 4 10 A F - 0 0 29 13,-0.2 2,-0.3 84,-0.1 13,-0.2 -0.260 62.3-177.2 -99.6-175.6 -60.9 -38.8 7.8 5 11 A Y - 0 0 71 11,-0.2 11,-2.0 -2,-0.1 2,-0.4 -0.919 20.0-109.1-178.9 164.7 -58.2 -39.5 10.5 6 12 A S E +A 15 0A 67 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.904 22.6 174.5-128.3 134.4 -55.3 -37.8 12.2 7 13 A V E -A 14 0A 49 7,-2.4 7,-3.0 -2,-0.4 2,-0.6 -0.997 25.0-136.6-129.3 141.4 -51.5 -37.9 12.4 8 14 A E E -A 13 0A 127 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.823 14.1-169.1 -90.2 123.3 -49.2 -35.6 14.1 9 15 A I E > -A 12 0A 32 3,-4.0 3,-1.7 -2,-0.6 2,-0.2 -0.895 67.2 -59.8-111.9 99.1 -46.2 -34.8 12.0 10 16 A G T 3 S- 0 0 67 -2,-0.6 -1,-0.0 1,-0.3 0, 0.0 -0.473 121.6 -16.5 58.4-126.7 -43.9 -33.1 14.5 11 17 A D T 3 S+ 0 0 173 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.209 122.9 90.6 -92.5 16.1 -46.0 -30.1 15.7 12 18 A S E < -A 9 0A 42 -3,-1.7 -3,-4.0 2,-0.0 2,-0.6 -0.922 65.7-139.3-122.7 141.6 -48.4 -30.2 12.9 13 19 A T E -A 8 0A 47 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.878 11.5-169.2-104.0 121.6 -51.7 -32.0 12.5 14 20 A F E -A 7 0A 1 -7,-3.0 -7,-2.4 -2,-0.6 2,-0.6 -0.956 4.1-176.6-104.8 113.6 -52.6 -33.8 9.2 15 21 A T E +A 6 0A 29 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.952 26.2 150.7-110.3 112.7 -56.3 -34.9 9.1 16 22 A V - 0 0 0 -11,-2.0 -11,-0.2 -2,-0.6 -2,-0.0 -0.895 50.2 -68.0-143.5 166.2 -56.8 -36.7 5.8 17 23 A L > - 0 0 36 -2,-0.3 3,-2.1 -13,-0.2 -13,-0.2 -0.253 47.2-120.5 -56.2 137.5 -58.8 -39.4 4.0 18 24 A K T 3 S+ 0 0 104 -15,-2.0 -1,-0.2 1,-0.3 22,-0.1 0.635 109.3 74.0 -58.2 -12.6 -57.9 -42.9 5.2 19 25 A R T 3 S+ 0 0 52 20,-0.1 21,-3.3 21,-0.1 2,-0.6 0.856 84.1 77.4 -67.5 -31.3 -56.7 -43.7 1.7 20 26 A Y E < +B 39 0B 1 -3,-2.1 2,-0.3 19,-0.2 19,-0.2 -0.695 69.4 170.5 -85.8 117.1 -53.7 -41.5 2.4 21 27 A Q E +B 38 0B 73 17,-2.9 17,-3.3 -2,-0.6 -2,-0.0 -0.931 42.8 24.5-136.4 152.3 -51.2 -43.4 4.5 22 28 A N E - 0 0 118 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.877 69.9-161.7 64.7 40.3 -47.7 -43.2 5.9 23 29 A L E - 0 0 23 -3,-0.2 14,-0.2 14,-0.1 -1,-0.1 -0.220 10.3-176.3 -51.9 147.0 -47.3 -39.4 5.7 24 30 A K E -B 36 0B 142 12,-1.7 12,-1.9 -15,-0.1 2,-0.1 -0.970 31.0-107.9-143.7 137.5 -43.7 -38.1 5.8 25 31 A P E +B 35 0B 96 0, 0.0 10,-0.2 0, 0.0 -15,-0.0 -0.503 45.0 158.1 -73.6 144.3 -42.7 -34.4 5.9 26 32 A I E - 0 0 90 8,-2.2 2,-0.3 1,-0.3 9,-0.2 0.543 48.3 -55.3-135.6 -18.5 -41.2 -33.1 2.7 27 33 A G E -B 34 0B 37 7,-1.2 7,-1.7 2,-0.0 2,-0.3 -0.944 41.0 -95.8 173.3-164.4 -41.4 -29.3 2.3 28 34 A S E -B 33 0B 98 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.965 17.4-151.6-153.6 149.2 -43.3 -26.1 2.1 29 35 A G - 0 0 21 3,-1.7 3,-0.1 -2,-0.3 5,-0.0 -0.384 54.1 -77.2-101.5-170.8 -44.8 -23.8 -0.5 30 36 A A S S+ 0 0 53 1,-0.2 2,-0.3 -2,-0.2 33,-0.0 0.987 131.9 12.7 -49.8 -62.4 -45.3 -20.0 -0.4 31 37 A Q S S+ 0 0 17 29,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 -0.841 119.6 40.5 -97.7 147.8 -48.3 -21.0 1.8 32 38 A G - 0 0 23 -2,-0.3 -3,-1.7 -4,-0.1 2,-0.3 0.210 63.3-113.2 104.2 148.9 -48.5 -24.6 3.0 33 39 A I E -BC 28 50B 53 17,-1.8 17,-2.7 -5,-0.2 2,-0.4 -0.871 34.0-147.0-108.9 154.9 -46.7 -27.6 4.4 34 40 A V E -BC 27 49B 19 -7,-1.7 -8,-2.2 -2,-0.3 -7,-1.2 -0.973 13.5-172.0-136.7 129.4 -46.4 -30.7 2.4 35 41 A C E -BC 25 48B 1 13,-2.5 13,-3.5 -2,-0.4 2,-0.3 -0.858 21.1-132.8-110.7 150.7 -46.3 -34.5 3.0 36 42 A A E +BC 24 47B 16 -12,-1.9 -12,-1.7 -2,-0.3 2,-0.3 -0.742 37.3 170.3 -85.8 151.7 -45.6 -37.4 0.9 37 43 A A E - C 0 46B 4 9,-1.9 9,-2.6 -2,-0.3 2,-0.5 -0.976 36.6-110.0-160.1 152.0 -48.1 -40.3 1.4 38 44 A Y E -BC 21 45B 82 -17,-3.3 -17,-2.9 -2,-0.3 2,-0.9 -0.833 22.8-145.7 -89.1 130.1 -49.2 -43.6 -0.0 39 45 A D E >> -BC 20 44B 0 5,-2.5 4,-1.5 -2,-0.5 5,-1.0 -0.872 11.4-164.9 -94.8 101.3 -52.6 -43.5 -1.8 40 46 A A T 45S+ 0 0 35 -21,-3.3 -1,-0.2 -2,-0.9 -20,-0.1 0.768 84.4 51.1 -64.8 -27.5 -53.9 -47.0 -0.9 41 47 A I T 45S+ 0 0 110 1,-0.2 -1,-0.2 -22,-0.1 -2,-0.0 0.990 119.8 30.1 -70.0 -69.6 -56.6 -46.8 -3.5 42 48 A L T 45S- 0 0 91 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.553 103.2-132.2 -68.0 -4.1 -54.5 -45.7 -6.6 43 49 A E T <5 + 0 0 144 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.905 65.9 105.5 53.2 48.1 -51.5 -47.6 -5.1 44 50 A R E S- 0 0 109 43,-0.6 3,-2.7 -2,-0.5 -1,-0.2 0.816 71.2-176.5 18.9 68.4 -57.1 -21.6 7.8 54 60 A P G > S+ 0 0 3 0, 0.0 3,-0.6 0, 0.0 10,-0.2 0.664 76.9 67.1 -61.1 -20.8 -56.1 -19.8 4.5 55 61 A F G 3 S+ 0 0 9 41,-0.3 290,-0.2 1,-0.2 289,-0.1 0.526 72.1 98.2 -76.7 -5.5 -59.0 -17.5 5.1 56 62 A Q G < S+ 0 0 94 -3,-2.7 2,-0.3 -4,-0.2 -1,-0.2 0.526 93.4 12.8 -54.6 -6.9 -57.2 -16.1 8.1 57 63 A N S <> S- 0 0 72 -3,-0.6 4,-2.4 1,-0.2 5,-0.3 -0.989 75.5-108.5-173.9 144.5 -55.9 -13.2 6.1 58 64 A Q H > S+ 0 0 70 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.977 120.5 42.8 -51.3 -63.5 -56.3 -11.2 2.9 59 65 A T H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.927 113.6 49.4 -39.3 -65.8 -52.9 -12.6 1.6 60 66 A H H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 115.6 43.9 -53.8 -41.7 -53.4 -16.2 2.7 61 67 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.900 110.8 52.6 -73.8 -44.3 -56.8 -16.4 1.1 62 68 A K H X S+ 0 0 53 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.964 115.7 42.1 -48.6 -57.1 -55.9 -14.7 -2.2 63 69 A R H X S+ 0 0 41 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.948 113.4 51.8 -62.4 -50.6 -53.0 -17.1 -2.6 64 70 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.892 111.1 48.9 -51.8 -44.7 -55.1 -20.1 -1.5 65 71 A Y H X S+ 0 0 14 -4,-3.1 4,-3.3 2,-0.2 -2,-0.2 0.986 112.6 46.7 -59.6 -60.2 -57.8 -19.2 -4.0 66 72 A R H X S+ 0 0 7 -4,-2.6 4,-3.5 1,-0.2 5,-0.4 0.912 112.9 49.4 -44.1 -56.4 -55.4 -18.8 -6.9 67 73 A E H X S+ 0 0 2 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.905 113.2 47.0 -60.6 -40.4 -53.6 -22.0 -6.1 68 74 A L H X S+ 0 0 1 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.968 117.3 42.6 -57.5 -53.7 -56.9 -23.9 -5.9 69 75 A V H X S+ 0 0 9 -4,-3.3 4,-2.0 1,-0.2 3,-0.5 0.960 117.4 44.8 -60.9 -54.0 -58.2 -22.4 -9.1 70 76 A L H X S+ 0 0 3 -4,-3.5 4,-1.5 1,-0.3 -1,-0.2 0.878 108.5 56.0 -60.1 -44.2 -54.9 -22.7 -11.1 71 77 A M H < S+ 0 0 4 -4,-2.2 11,-0.4 -5,-0.4 -1,-0.3 0.861 111.8 48.7 -57.7 -32.0 -54.2 -26.2 -9.9 72 78 A K H < S+ 0 0 122 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.987 115.9 32.7 -71.3 -63.3 -57.7 -27.1 -11.3 73 79 A C H < S+ 0 0 27 -4,-2.0 255,-0.5 254,-0.1 -2,-0.1 0.605 93.6 103.8 -78.9 -9.7 -57.9 -25.6 -14.8 74 80 A V < - 0 0 19 -4,-1.5 2,-0.3 -5,-0.3 8,-0.2 -0.432 44.9-180.0 -79.8 144.9 -54.2 -26.1 -15.7 75 81 A N + 0 0 129 -2,-0.1 2,-0.3 250,-0.1 5,-0.1 -0.722 22.6 117.0-157.4 91.0 -53.3 -28.9 -18.1 76 82 A H > - 0 0 22 -2,-0.3 3,-1.5 3,-0.3 245,-0.1 -0.966 62.7-123.9-162.2 138.6 -49.8 -29.7 -19.2 77 83 A K T 3 S+ 0 0 117 -2,-0.3 82,-0.2 1,-0.2 4,-0.1 0.675 115.0 52.7 -60.2 -11.5 -47.3 -32.5 -19.0 78 84 A N T 3 S+ 0 0 4 243,-0.1 83,-2.5 82,-0.1 2,-0.4 0.478 96.0 75.7-105.2 -6.9 -44.9 -29.8 -17.6 79 85 A I B < S-f 161 0C 4 -3,-1.5 -3,-0.3 81,-0.3 83,-0.2 -0.845 96.1 -96.8 -96.6 147.3 -47.2 -28.5 -14.8 80 86 A I - 0 0 6 81,-2.3 2,-0.4 -2,-0.4 -2,-0.1 -0.324 45.2-111.3 -62.7 134.2 -47.7 -30.6 -11.6 81 87 A G - 0 0 18 -4,-0.1 22,-1.6 -2,-0.1 2,-0.2 -0.542 15.5-137.5 -77.0 126.7 -50.8 -32.8 -11.6 82 88 A L E +E 102 0B 47 -11,-0.4 20,-0.2 -2,-0.4 3,-0.1 -0.580 29.1 165.5 -65.4 140.3 -53.9 -32.2 -9.4 83 89 A L E - 0 0 59 18,-2.1 2,-0.3 1,-0.5 19,-0.2 0.533 58.0 -15.6-128.2 -31.1 -55.2 -35.5 -8.0 84 90 A N E -E 101 0B 34 17,-1.2 17,-2.0 2,-0.0 -1,-0.5 -0.981 46.5-162.9-172.3 154.5 -57.5 -34.5 -5.2 85 91 A V E +E 100 0B 4 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.952 24.3 136.0-152.6 153.9 -58.7 -31.9 -2.8 86 92 A F E -E 99 0B 0 13,-1.8 13,-2.0 -2,-0.3 267,-0.1 -0.900 35.1-135.2-164.5-172.0 -60.7 -31.9 0.3 87 93 A T - 0 0 1 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.825 16.9-141.2-163.7 143.1 -61.2 -30.6 3.9 88 94 A P S S+ 0 0 25 0, 0.0 -84,-0.1 0, 0.0 -85,-0.1 0.780 76.8 95.7 -80.9 -30.9 -62.2 -32.8 6.8 89 95 A Q - 0 0 30 8,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.190 68.9-143.3 -59.2 153.5 -64.5 -30.2 8.2 90 96 A K + 0 0 151 1,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.315 65.8 20.9-113.9 8.7 -68.2 -30.6 7.3 91 97 A S S > S- 0 0 35 1,-0.1 4,-3.4 0, 0.0 -1,-0.1 -0.971 77.9-101.1-167.5 154.8 -69.7 -27.1 6.8 92 98 A L T 4 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.2 257,-0.1 0.788 126.4 51.2 -47.5 -27.9 -68.8 -23.5 6.1 93 99 A E T 4 S+ 0 0 167 1,-0.1 -1,-0.2 -3,-0.0 -4,-0.0 0.960 116.3 37.3 -76.5 -53.8 -69.3 -23.0 9.8 94 100 A E T 4 S+ 0 0 93 2,-0.0 -2,-0.2 0, 0.0 -1,-0.1 0.839 93.9 123.2 -53.8 -38.5 -66.9 -25.8 10.8 95 101 A F < + 0 0 0 -4,-3.4 3,-0.1 1,-0.1 254,-0.1 0.059 14.4 127.2 -52.7 129.4 -64.6 -25.0 7.9 96 102 A Q + 0 0 75 1,-0.3 -43,-0.6 253,-0.0 -41,-0.3 0.530 54.7 48.1-141.8 -37.6 -61.0 -24.3 8.6 97 103 A D E -D 52 0B 14 -45,-0.2 2,-0.4 -44,-0.2 -1,-0.3 -0.778 51.6-156.0-117.0 152.1 -58.3 -26.3 6.6 98 104 A V E -D 51 0B 0 -47,-2.3 -47,-2.6 -2,-0.3 2,-0.4 -0.966 4.3-162.7-121.3 144.8 -57.6 -27.3 3.0 99 105 A Y E -DE 50 86B 0 -13,-2.0 -13,-1.8 -2,-0.4 2,-0.5 -0.991 1.4-167.9-126.2 137.1 -55.7 -30.2 1.5 100 106 A I E -DE 49 85B 1 -51,-1.9 -51,-3.4 -2,-0.4 2,-0.4 -0.981 8.2-155.4-121.5 126.2 -54.4 -30.6 -2.0 101 107 A V E +DE 48 84B 0 -17,-2.0 -18,-2.1 -2,-0.5 -17,-1.2 -0.856 21.1 171.8-104.3 134.8 -53.1 -33.9 -3.3 102 108 A M E -DE 47 82B 12 -55,-3.2 -55,-2.3 -2,-0.4 -20,-0.2 -0.893 39.5 -81.1-136.3 163.3 -50.5 -33.9 -6.2 103 109 A E - 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0 0 118 -55,-0.3 4,-3.5 1,-0.1 5,-0.2 -0.436 41.2-109.8 -64.7 151.2 -38.9 5.9 -9.8 246 254 A P H > S+ 0 0 98 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.867 113.8 51.8 -63.5 -35.7 -37.0 8.9 -8.8 247 255 A T H > S+ 0 0 125 1,-0.2 4,-1.2 2,-0.2 -3,-0.0 0.925 116.7 39.6 -63.8 -45.7 -36.1 7.8 -5.2 248 256 A V H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 109.5 62.8 -70.4 -42.6 -34.7 4.4 -6.4 249 257 A R H X S+ 0 0 61 -4,-3.5 4,-2.9 1,-0.2 5,-0.3 0.879 100.3 53.0 -47.3 -45.3 -33.1 6.1 -9.5 250 258 A T H X S+ 0 0 81 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.951 109.5 47.5 -58.2 -49.1 -30.8 8.2 -7.2 251 259 A Y H X S+ 0 0 83 -4,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.948 115.5 46.2 -56.0 -46.0 -29.5 5.1 -5.3 252 260 A V H >< S+ 0 0 5 -4,-2.3 3,-2.9 1,-0.3 -2,-0.2 0.960 110.5 48.9 -64.1 -60.2 -28.9 3.3 -8.5 253 261 A E H 3< S+ 0 0 78 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.744 109.7 58.2 -53.9 -24.2 -27.1 6.1 -10.4 254 262 A N H 3< S+ 0 0 118 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.648 83.0 104.8 -79.0 -17.2 -25.1 6.4 -7.2 255 263 A R S << S- 0 0 69 -3,-2.9 3,-0.1 -4,-0.6 -3,-0.0 -0.314 90.1 -91.6 -59.5 149.6 -23.8 2.8 -7.4 256 264 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.381 51.4-110.4 -51.2 134.4 -20.2 2.3 -8.5 257 265 A K - 0 0 137 -3,-0.1 2,-0.4 -22,-0.1 -23,-0.0 -0.380 35.7-163.4 -66.5 148.8 -20.3 1.9 -12.3 258 266 A Y - 0 0 87 1,-0.1 -23,-2.2 -22,-0.1 -26,-0.1 -0.998 26.8-159.0-138.7 142.8 -19.4 -1.6 -13.7 259 267 A A - 0 0 102 -2,-0.4 -1,-0.1 -25,-0.2 -27,-0.1 0.926 43.1-151.4 -74.0 -41.9 -18.5 -2.8 -17.2 260 268 A G - 0 0 23 -29,-0.2 -27,-0.2 -26,-0.1 -28,-0.2 0.267 18.7 -79.0 79.1 151.6 -19.6 -6.3 -16.2 261 269 A Y - 0 0 148 -29,-1.1 2,-0.2 -30,-0.3 -3,-0.0 -0.266 41.2-111.8 -74.4 163.8 -18.1 -9.5 -17.6 262 270 A S > - 0 0 34 1,-0.1 4,-3.6 -2,-0.0 3,-0.3 -0.594 30.0-112.1 -87.3 161.5 -19.0 -11.1 -21.0 263 271 A F H > S+ 0 0 36 1,-0.3 4,-3.1 2,-0.2 -1,-0.1 0.878 120.8 61.9 -69.2 -30.9 -20.9 -14.3 -21.1 264 272 A E H 4 S+ 0 0 117 2,-0.2 -1,-0.3 1,-0.2 5,-0.1 0.924 114.0 34.8 -51.4 -44.2 -17.8 -15.9 -22.4 265 273 A K H 4 S+ 0 0 157 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 117.6 51.9 -86.1 -30.0 -16.1 -14.9 -19.1 266 274 A L H < S+ 0 0 7 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.899 128.1 22.9 -63.8 -40.5 -19.2 -15.4 -16.9 267 275 A F S < S- 0 0 0 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.705 83.9-175.6-132.5 75.4 -19.6 -18.9 -18.3 268 276 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.305 39.6-103.7 -76.0 161.9 -16.3 -20.2 -19.7 269 277 A D G > S+ 0 0 98 1,-0.3 3,-2.3 2,-0.2 14,-0.0 0.850 113.2 71.2 -50.6 -42.2 -16.0 -23.6 -21.5 270 278 A V G 3 S+ 0 0 136 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.808 97.3 55.3 -44.4 -32.9 -14.4 -25.4 -18.5 271 279 A L G < S+ 0 0 71 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.785 99.7 71.0 -75.8 -26.4 -17.8 -25.2 -17.0 272 280 A F S < S- 0 0 21 -3,-2.3 2,-0.1 -4,-0.4 3,-0.1 -0.390 82.7-110.3 -90.9 161.7 -19.7 -26.9 -19.8 273 281 A P - 0 0 39 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 -0.415 57.3 -66.8 -78.4 170.4 -19.7 -30.5 -21.0 274 282 A A - 0 0 91 -2,-0.1 -155,-0.4 1,-0.1 0, 0.0 -0.165 68.6 -96.5 -44.8 143.3 -18.1 -31.7 -24.3 275 283 A D - 0 0 80 1,-0.1 7,-0.2 -3,-0.1 -1,-0.1 -0.196 53.0 -78.9 -71.0 170.6 -20.0 -30.1 -27.2 276 284 A S - 0 0 28 5,-2.0 3,-0.3 3,-0.3 -1,-0.1 -0.107 19.3-124.3 -77.9 162.9 -22.7 -32.1 -29.0 277 285 A E S S+ 0 0 180 1,-0.2 2,-0.8 0, 0.0 -1,-0.1 0.995 105.2 39.1 -54.5 -72.2 -22.7 -34.9 -31.6 278 286 A H S > S- 0 0 141 1,-0.0 3,-0.9 -3,-0.0 -1,-0.2 -0.781 102.9 -97.2-104.0 114.8 -24.9 -32.7 -33.7 279 287 A N T 3 S+ 0 0 107 -2,-0.8 -3,-0.3 -3,-0.3 -1,-0.0 -0.069 99.9 52.1 52.5 -99.6 -24.6 -29.0 -34.1 280 288 A K T 3 S+ 0 0 69 1,-0.2 2,-2.4 -2,-0.1 -1,-0.2 0.656 84.0 85.3 -62.0 -22.4 -26.8 -26.8 -31.9 281 289 A L < + 0 0 2 -3,-0.9 -5,-2.0 4,-0.1 2,-0.4 -0.472 67.1 138.8 -77.9 77.2 -26.0 -28.2 -28.5 282 290 A K >> - 0 0 57 -2,-2.4 4,-2.4 -7,-0.2 3,-0.7 -0.950 64.5-126.7-127.4 135.5 -23.0 -26.1 -28.1 283 291 A A H 3> S+ 0 0 0 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.888 113.8 53.0 -43.3 -46.2 -21.6 -24.2 -25.1 284 292 A S H 3> S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.843 107.6 50.7 -66.8 -30.7 -21.5 -21.0 -27.2 285 293 A Q H <> S+ 0 0 46 -3,-0.7 4,-1.4 2,-0.2 27,-0.3 0.858 110.2 50.1 -71.8 -37.7 -25.2 -21.5 -28.1 286 294 A A H >X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 3,-0.8 0.965 110.5 50.2 -60.1 -56.3 -26.0 -21.9 -24.5 287 295 A R H 3X S+ 0 0 19 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.892 107.7 54.9 -43.7 -46.1 -24.1 -18.7 -23.8 288 296 A D H 3< S+ 0 0 60 -4,-2.3 4,-0.5 1,-0.2 -1,-0.3 0.852 110.2 43.6 -64.7 -33.3 -26.0 -17.0 -26.4 289 297 A L H XX S+ 0 0 1 -4,-1.4 3,-1.4 -3,-0.8 4,-0.8 0.921 111.7 53.7 -76.2 -43.8 -29.3 -18.0 -24.9 290 298 A L H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 3,-1.0 0.894 105.2 56.5 -53.1 -40.7 -28.1 -17.0 -21.4 291 299 A S H 3< S+ 0 0 37 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.644 108.1 46.1 -72.3 -18.6 -27.2 -13.6 -22.8 292 300 A K H <4 S+ 0 0 83 -3,-1.4 10,-2.4 -4,-0.5 -1,-0.3 0.434 117.7 42.2 -98.2 -6.8 -30.8 -13.0 -24.1 293 301 A M H << S+ 0 0 2 -3,-1.0 2,-1.8 -4,-0.8 -2,-0.2 0.827 105.6 59.7-100.7 -55.6 -32.5 -14.0 -20.8 294 302 A L S < S+ 0 0 5 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 -0.594 75.2 132.3 -72.2 77.3 -30.2 -12.5 -18.2 295 303 A V - 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