==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-12 4AWI . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.CHUNG,G.VICENTINI,J.LIDDLE,P.BAMBOROUGH . 352 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 63.1 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 . 45 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 4 2 0 0 0 1 0 0 1 1 0 1 1 1 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 . 0 1 1 1 0 2 2 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 8 A N 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.7 20.5 11.8 61.2 2 9 A N + 0 0 121 85,-0.1 15,-1.8 14,-0.1 2,-0.3 0.422 360.0 62.7 -85.1 -0.8 18.7 10.7 58.0 3 10 A F E -A 16 0A 47 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.883 55.1-168.9-125.0 153.4 21.5 11.6 55.6 4 11 A Y E -A 15 0A 56 11,-2.1 11,-2.0 -2,-0.3 2,-0.4 -0.954 18.5-130.5-133.4 160.9 25.1 10.7 54.9 5 12 A S E +A 14 0A 69 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.899 20.3 178.9-115.4 138.2 27.8 12.3 52.6 6 13 A V E -A 13 0A 47 7,-2.4 7,-3.0 -2,-0.4 2,-0.5 -0.998 29.0-120.9-134.4 141.7 30.1 10.7 50.0 7 14 A E E -A 12 0A 125 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.702 23.9-173.9 -83.8 122.5 32.6 12.4 47.8 8 15 A I E > -A 11 0A 21 3,-3.1 3,-2.2 -2,-0.5 2,-0.3 -0.930 64.2 -56.6-116.9 103.1 32.0 11.9 44.0 9 16 A G T 3 S- 0 0 67 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.490 120.2 -21.3 61.2-123.1 35.0 13.4 42.2 10 17 A D T 3 S+ 0 0 170 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.250 126.7 86.2 -98.3 11.5 35.3 17.0 43.3 11 18 A S E < -A 8 0A 43 -3,-2.2 -3,-3.1 2,-0.0 2,-0.5 -0.808 69.9-135.5-112.8 152.1 31.6 17.1 44.5 12 19 A T E -A 7 0A 52 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.941 13.5-159.0-107.0 123.2 29.9 16.1 47.7 13 20 A F E -A 6 0A 0 -7,-3.0 -7,-2.4 -2,-0.5 2,-0.6 -0.916 6.7-172.6-101.3 114.9 26.7 14.1 47.5 14 21 A T E +A 5 0A 32 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.926 24.6 160.3-110.1 107.0 24.6 14.3 50.6 15 22 A V E -A 4 0A 0 -11,-2.0 -11,-2.1 -2,-0.6 -2,-0.0 -0.809 44.5 -80.3-132.2 161.5 21.7 11.8 50.3 16 23 A L E > -A 3 0A 37 -2,-0.3 3,-2.0 -13,-0.2 -13,-0.2 -0.296 43.9-117.5 -59.8 143.6 19.1 9.8 52.2 17 24 A K T 3 S+ 0 0 110 -15,-1.8 -1,-0.1 1,-0.3 22,-0.1 0.722 108.8 73.0 -61.4 -21.9 20.4 6.6 53.8 18 25 A R T 3 S+ 0 0 60 -16,-0.2 21,-3.2 20,-0.1 2,-0.6 0.776 86.5 74.9 -59.2 -27.9 18.1 4.5 51.6 19 26 A Y E < +B 38 0B 1 -3,-2.0 2,-0.3 19,-0.2 19,-0.2 -0.821 68.4 170.3 -96.0 120.0 20.4 5.3 48.6 20 27 A Q E +B 37 0B 83 17,-2.9 17,-3.0 -2,-0.6 -2,-0.0 -0.833 43.6 28.3-130.3 160.9 23.7 3.4 48.6 21 28 A N E S- 0 0 113 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.909 72.0-161.2 59.4 50.5 26.7 2.5 46.4 22 29 A L E - 0 0 22 -3,-0.2 14,-0.2 14,-0.1 -1,-0.1 -0.343 12.9-179.9 -66.7 141.2 26.7 5.8 44.4 23 30 A K E -B 35 0B 123 12,-2.2 12,-3.2 -15,-0.0 2,-0.1 -0.973 30.6-113.0-143.5 128.3 28.6 5.8 41.1 24 31 A P E +B 34 0B 85 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.366 38.8 162.5 -65.1 132.1 29.0 8.7 38.6 25 32 A I E - 0 0 94 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.396 60.6 -1.8-124.1 -4.2 27.2 8.1 35.2 26 33 A G E -B 33 0B 33 7,-1.2 7,-2.7 2,-0.0 -1,-0.3 -0.967 51.0-161.7 178.3 162.1 27.0 11.6 33.7 27 34 A S E +B 32 0B 108 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.944 13.6 155.5-153.5 165.4 27.5 15.3 34.0 28 35 A G - 0 0 42 3,-1.7 3,-0.3 -2,-0.3 -2,-0.0 -0.977 57.4 -79.1-178.8 175.6 26.5 18.7 32.6 29 36 A A S S+ 0 0 54 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.809 127.1 51.2 -61.1 -31.1 26.1 22.4 33.1 30 37 A Q S S- 0 0 31 1,-0.2 21,-0.4 20,-0.1 2,-0.3 0.784 123.7 -67.2 -78.4 -30.8 22.9 21.7 35.1 31 38 A G - 0 0 18 -3,-0.3 -3,-1.7 19,-0.1 2,-0.3 -0.987 48.8 -71.0 171.8-160.7 24.4 19.1 37.4 32 39 A I E -BC 27 49B 28 17,-1.2 17,-2.6 -2,-0.3 2,-0.4 -0.977 34.3-150.9-134.3 138.4 26.0 15.7 38.1 33 40 A V E -BC 26 48B 29 -7,-2.7 -8,-2.6 -2,-0.3 -7,-1.2 -0.935 9.1-171.9-123.2 133.3 24.3 12.3 38.1 34 41 A C E -BC 24 47B 0 13,-2.5 13,-3.3 -2,-0.4 2,-0.2 -0.959 21.3-132.4-119.5 140.5 25.1 9.1 40.0 35 42 A A E +BC 23 46B 18 -12,-3.2 -12,-2.2 -2,-0.4 2,-0.3 -0.604 39.3 170.7 -75.2 149.2 23.7 5.6 39.7 36 43 A A E - C 0 45B 4 9,-2.4 9,-3.1 -2,-0.2 2,-0.5 -0.987 36.0-110.9-157.8 161.3 22.7 4.1 43.1 37 44 A Y E -BC 20 44B 88 -17,-3.0 -17,-2.9 -2,-0.3 2,-0.8 -0.890 22.8-147.2 -98.6 125.7 20.9 1.3 44.8 38 45 A D E >> -BC 19 43B 0 5,-2.9 4,-1.6 -2,-0.5 5,-1.2 -0.852 7.4-164.2 -91.4 108.6 17.6 2.1 46.6 39 46 A A T 45S+ 0 0 50 -21,-3.2 -1,-0.1 -2,-0.8 -20,-0.1 0.705 86.6 47.6 -66.7 -23.2 17.5 -0.2 49.6 40 47 A I T 45S+ 0 0 115 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.0 0.933 119.2 35.3 -83.2 -53.4 13.7 0.4 50.2 41 48 A L T 45S- 0 0 74 2,-0.2 -2,-0.2 -23,-0.1 -1,-0.1 0.643 102.0-134.5 -72.1 -17.5 12.5 -0.1 46.6 42 49 A E T <5 + 0 0 149 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.913 68.2 94.7 58.9 48.7 15.1 -2.9 46.1 43 50 A R E S- 0 0 100 43,-1.1 3,-1.8 -2,-0.7 -1,-0.2 0.915 71.9-178.9 49.2 55.5 22.4 26.2 44.0 53 60 A P G > S+ 0 0 7 0, 0.0 3,-0.6 0, 0.0 10,-0.2 0.737 74.9 62.7 -58.6 -25.3 19.9 26.2 41.1 54 61 A F G 3 S+ 0 0 5 41,-0.2 288,-0.2 1,-0.2 287,-0.2 0.264 73.4 101.9 -81.2 10.3 18.5 29.7 42.1 55 62 A Q G < S+ 0 0 91 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.811 92.3 0.8 -69.3 -34.4 22.0 31.3 41.5 56 63 A N S <> S- 0 0 49 -3,-0.6 4,-2.3 -4,-0.2 5,-0.2 -0.933 76.9-100.9-147.5 174.0 20.9 32.8 38.1 57 64 A Q H > S+ 0 0 47 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.820 114.9 50.3 -68.9 -36.7 17.9 33.0 35.7 58 65 A T H > S+ 0 0 34 111,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.930 116.8 39.7 -69.2 -47.6 19.0 30.3 33.2 59 66 A H H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 116.8 51.1 -65.8 -43.4 19.7 27.7 35.9 60 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.918 111.3 45.8 -62.2 -48.3 16.7 28.7 37.9 61 68 A K H X S+ 0 0 64 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.860 115.3 47.3 -63.0 -41.2 14.2 28.5 35.0 62 69 A R H X S+ 0 0 83 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.893 114.6 45.9 -67.6 -43.2 15.5 25.2 33.8 63 70 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 -10,-0.2 -2,-0.2 0.909 114.5 47.0 -66.8 -45.6 15.5 23.6 37.3 64 71 A Y H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.930 114.3 47.5 -62.6 -48.5 12.0 24.9 38.1 65 72 A R H X S+ 0 0 15 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.896 111.7 51.2 -56.1 -46.9 10.6 23.7 34.7 66 73 A E H X S+ 0 0 20 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.914 111.6 46.8 -59.2 -46.8 12.3 20.3 35.2 67 74 A L H X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.925 114.6 46.3 -61.2 -47.5 10.8 19.8 38.6 68 75 A V H X S+ 0 0 8 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.928 115.2 44.6 -64.5 -48.2 7.3 20.9 37.6 69 76 A L H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.876 111.0 53.5 -67.2 -39.7 7.2 18.7 34.4 70 77 A M H 3< S+ 0 0 11 -4,-2.1 11,-0.5 -5,-0.3 -1,-0.2 0.872 109.0 51.4 -60.1 -38.2 8.7 15.6 36.1 71 78 A K H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.679 120.0 32.6 -72.8 -21.9 5.9 15.9 38.7 72 79 A C H << S+ 0 0 34 -4,-0.8 253,-0.5 -3,-0.5 2,-0.4 0.570 102.3 81.6-113.8 -13.0 3.1 16.1 36.2 73 80 A V < + 0 0 14 -4,-2.2 8,-0.3 -5,-0.1 2,-0.2 -0.822 44.0 170.6 -97.8 133.1 4.3 13.9 33.3 74 81 A N + 0 0 155 -2,-0.4 2,-0.4 6,-0.1 6,-0.1 -0.702 22.7 135.5-140.7 84.7 4.0 10.1 33.4 75 82 A H > - 0 0 18 3,-0.3 3,-1.9 -2,-0.2 243,-0.1 -0.993 56.8-127.4-136.1 141.8 4.8 8.4 30.0 76 83 A K T 3 S+ 0 0 111 -2,-0.4 4,-0.1 1,-0.3 82,-0.1 0.677 109.8 51.8 -62.1 -20.9 6.9 5.3 29.3 77 84 A N T 3 S+ 0 0 2 82,-0.1 83,-2.3 241,-0.1 2,-0.4 0.251 100.1 71.1-102.9 11.1 9.1 7.2 26.8 78 85 A I B < S-f 160 0C 5 -3,-1.9 -3,-0.3 81,-0.3 83,-0.2 -0.995 98.8 -99.5-122.5 132.1 9.9 10.1 29.1 79 86 A I - 0 0 6 81,-2.7 2,-0.4 -2,-0.4 -4,-0.1 -0.238 46.7-129.6 -54.2 133.8 12.3 9.6 32.1 80 87 A G - 0 0 19 -4,-0.1 22,-1.6 -6,-0.1 2,-0.2 -0.726 5.9-123.4-103.0 137.0 10.2 9.1 35.2 81 88 A L E +E 101 0B 54 -11,-0.5 20,-0.2 -2,-0.4 3,-0.1 -0.478 29.3 167.8 -72.5 137.3 10.4 10.8 38.7 82 89 A L E - 0 0 58 18,-3.3 2,-0.3 1,-0.4 19,-0.2 0.644 63.7 -16.6-116.4 -33.6 10.8 8.6 41.8 83 90 A N E -E 100 0B 47 17,-1.6 17,-3.0 2,-0.0 -1,-0.4 -0.983 47.3-154.5-166.3 159.3 11.7 11.1 44.5 84 91 A V E +E 99 0B 27 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.989 24.8 156.5-141.7 141.3 13.0 14.6 45.3 85 92 A F E -E 98 0B 15 13,-2.0 13,-2.6 -2,-0.3 265,-0.1 -0.983 29.0-151.2-154.5 164.8 14.8 15.9 48.4 86 93 A T - 0 0 13 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.986 13.3-149.7-135.0 135.8 17.1 18.5 49.9 87 94 A P S S+ 0 0 26 0, 0.0 2,-0.2 0, 0.0 -84,-0.1 0.653 72.8 97.5 -76.9 -14.5 19.4 17.8 52.9 88 95 A Q - 0 0 47 8,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.554 68.7-145.3 -78.7 142.1 19.1 21.4 54.2 89 96 A K + 0 0 167 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 0.336 68.8 26.1 -97.5 6.0 16.5 21.8 57.0 90 97 A S S > S- 0 0 33 1,-0.1 4,-1.7 0, 0.0 -2,-0.0 -0.989 76.2-108.6-160.2 160.6 15.1 25.3 56.2 91 98 A L T 4 S+ 0 0 46 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.895 120.1 54.7 -57.0 -42.6 14.5 27.9 53.5 92 99 A E T 4 S+ 0 0 171 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.901 117.0 35.3 -59.0 -42.5 17.3 30.0 55.1 93 100 A E T 4 S+ 0 0 88 -3,-0.0 -1,-0.2 2,-0.0 -2,-0.2 0.610 87.3 130.1 -86.6 -14.5 19.8 27.1 54.9 94 101 A F < + 0 0 0 -4,-1.7 3,-0.1 1,-0.1 252,-0.1 -0.127 15.1 142.1 -52.2 129.1 18.5 25.7 51.5 95 102 A Q + 0 0 74 1,-0.3 -43,-1.1 -42,-0.0 2,-0.3 0.620 50.5 38.9-130.7 -52.0 21.3 25.0 49.0 96 103 A D E -D 51 0B 20 -45,-0.2 2,-0.4 -44,-0.2 -8,-0.3 -0.829 52.0-151.5-121.6 149.5 20.9 21.9 46.8 97 104 A V E -D 50 0B 0 -47,-2.4 -47,-3.5 -2,-0.3 2,-0.5 -0.954 8.5-161.3-116.3 135.1 18.2 19.8 45.1 98 105 A Y E -DE 49 85B 1 -13,-2.6 -13,-2.0 -2,-0.4 2,-0.5 -0.974 3.9-164.6-116.6 121.1 18.4 16.1 44.4 99 106 A I E -DE 48 84B 0 -51,-2.7 -51,-2.9 -2,-0.5 2,-0.5 -0.923 6.9-153.9-107.1 122.4 16.2 14.5 41.8 100 107 A V E +DE 47 83B 0 -17,-3.0 -18,-3.3 -2,-0.5 -17,-1.6 -0.868 24.2 168.5-102.0 131.5 15.7 10.7 41.8 101 108 A M E -DE 46 81B 15 -55,-3.0 -55,-2.7 -2,-0.5 -20,-0.2 -0.813 41.4 -76.0-134.5 163.0 14.9 9.0 38.5 102 109 A E E -D 45 0B 52 -22,-1.6 2,-0.5 -2,-0.3 -57,-0.2 -0.390 50.4-126.2 -57.1 139.4 14.6 5.7 36.7 103 110 A L - 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0 0 106 -2,-0.2 4,-3.7 1,-0.1 3,-0.4 -0.422 40.9-109.9 -64.3 147.7 13.9 38.5 7.5 243 254 A P H > S+ 0 0 94 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.869 118.4 48.8 -47.8 -47.1 15.6 40.9 5.0 244 255 A T H > S+ 0 0 111 1,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.846 118.0 40.5 -65.8 -36.5 18.9 40.9 6.8 245 256 A V H > S+ 0 0 25 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.877 113.6 55.0 -74.7 -40.9 18.9 37.0 7.1 246 257 A R H X S+ 0 0 73 -4,-3.7 4,-2.8 2,-0.2 5,-0.2 0.892 104.8 51.9 -61.0 -45.3 17.5 36.7 3.5 247 258 A T H X S+ 0 0 82 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.934 112.2 48.2 -55.8 -47.6 20.4 38.7 2.0 248 259 A Y H X S+ 0 0 63 -4,-1.0 4,-0.7 -5,-0.2 3,-0.2 0.934 114.5 43.5 -56.9 -52.8 22.8 36.5 3.8 249 260 A V H >< S+ 0 0 5 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.873 114.5 49.2 -65.9 -41.0 21.2 33.2 2.7 250 261 A E H 3< S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.743 108.0 57.0 -69.0 -24.2 20.7 34.3 -0.9 251 262 A N H 3< S+ 0 0 121 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.582 84.0 101.1 -85.0 -12.9 24.4 35.4 -1.0 252 263 A R S << S- 0 0 76 -4,-0.7 -3,-0.0 -3,-0.6 -20,-0.0 -0.320 91.0 -86.2 -63.8 153.6 25.9 32.0 -0.1 253 264 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.358 51.7-109.8 -57.1 144.5 27.3 29.9 -2.9 254 265 A K - 0 0 161 -3,-0.1 2,-0.4 -22,-0.1 -4,-0.0 -0.612 33.2-166.3 -83.6 137.7 24.6 27.7 -4.5 255 266 A Y - 0 0 79 -2,-0.3 -23,-2.6 1,-0.1 -26,-0.1 -0.971 20.7-155.1-124.7 139.2 24.5 24.0 -4.0 256 267 A A - 0 0 104 -2,-0.4 -1,-0.1 -25,-0.2 -28,-0.1 0.754 38.1-152.0 -78.4 -26.1 22.5 21.3 -5.9 257 268 A G - 0 0 24 -29,-0.3 2,-0.3 -30,-0.1 -27,-0.3 -0.062 17.7 -81.0 71.6 178.2 22.6 18.8 -3.0 258 269 A Y - 0 0 129 -29,-2.9 2,-0.0 -27,-0.0 -29,-0.0 -0.869 36.9-107.9-117.0 150.8 22.4 15.0 -3.3 259 270 A S >> - 0 0 50 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.342 31.9-115.2 -68.3 156.1 19.5 12.6 -3.8 260 271 A F H 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.779 117.4 64.0 -67.4 -23.6 18.5 10.5 -0.8 261 272 A E H 34 S+ 0 0 120 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.895 110.2 37.9 -59.3 -41.9 19.5 7.5 -2.9 262 273 A K H <4 S+ 0 0 158 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.838 115.7 51.3 -81.8 -35.8 23.1 8.9 -2.8 263 274 A L H < S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.909 128.0 21.2 -64.2 -42.7 23.0 10.2 0.8 264 275 A F S < S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.696 84.8-175.2-131.2 75.6 21.8 6.9 2.2 265 276 A P > - 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0 0 30 -2,-1.8 6,-0.1 -3,-0.2 5,-0.1 -0.989 49.9-151.9-124.9 120.0 13.4 18.9 4.7 293 304 A I S S+ 0 0 14 -2,-0.5 2,-0.8 1,-0.1 -109,-0.2 0.925 83.3 68.3 -58.3 -50.1 14.7 22.5 5.1 294 305 A D S >> S- 0 0 15 1,-0.2 3,-2.0 -111,-0.1 4,-0.9 -0.639 71.5-156.8 -78.5 110.4 11.3 24.2 4.6 295 306 A A T 34 S+ 0 0 16 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.743 90.2 65.1 -59.2 -26.8 9.2 23.3 7.7 296 307 A S T 34 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.694 110.4 37.3 -70.7 -19.3 6.0 23.9 5.7 297 308 A K T <4 S+ 0 0 134 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.489 97.9 101.9-105.4 -9.3 6.9 21.0 3.4 298 309 A R S < S- 0 0 11 -4,-0.9 -8,-0.2 -6,-0.1 -104,-0.1 -0.489 81.2 -96.0 -77.7 147.1 8.4 18.7 6.2 299 310 A I - 0 0 14 -10,-2.4 2,-0.2 -2,-0.2 -102,-0.1 -0.123 34.8-123.1 -55.1 149.9 6.3 15.8 7.6 300 311 A S > - 0 0 45 1,-0.1 4,-1.8 -103,-0.1 5,-0.1 -0.510 25.8-107.8 -88.3 167.2 4.3 16.1 10.9 301 312 A V H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.902 120.5 48.0 -62.1 -41.3 4.7 13.9 14.0 302 313 A D H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 108.9 52.5 -69.2 -39.9 1.4 12.0 13.3 303 314 A E H 4 S+ 0 0 115 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.868 110.7 49.7 -59.9 -36.2 2.3 11.5 9.6 304 315 A A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 6,-0.3 0.894 108.2 51.8 -70.0 -41.3 5.6 10.0 10.8 305 316 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.818 112.5 47.1 -62.2 -30.5 3.8 7.7 13.3 306 317 A Q T 3< S+ 0 0 101 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.471 86.6 119.6 -90.8 -4.3 1.6 6.5 10.4 307 318 A H S X> S- 0 0 9 -3,-0.9 4,-3.2 -4,-0.3 3,-1.3 -0.310 75.6-116.7 -66.4 145.0 4.5 5.9 8.0 308 319 A P T 34 S+ 0 0 62 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.791 114.4 54.0 -51.8 -34.0 5.0 2.4 6.7 309 320 A Y T 34 S+ 0 0 0 -27,-0.2 -26,-0.1 1,-0.1 -4,-0.1 0.811 123.1 26.7 -68.2 -30.2 8.4 2.1 8.3 310 321 A I T X4 S+ 0 0 0 -3,-1.3 3,-2.0 -6,-0.3 4,-0.2 0.769 99.2 80.3-103.1 -35.4 7.0 3.0 11.8 311 322 A N G >< S+ 0 0 65 -4,-3.2 3,-1.3 1,-0.3 -2,-0.1 0.605 72.5 80.2 -66.7 -13.7 3.3 2.0 11.8 312 323 A V G 3 S+ 0 0 87 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.744 99.1 45.1 -58.1 -24.4 3.9 -1.7 12.6 313 324 A W G < S+ 0 0 74 -3,-2.0 -1,-0.2 -8,-0.1 -2,-0.2 0.520 82.6 140.0 -93.3 -8.3 4.4 -0.6 16.2 314 325 A Y < + 0 0 60 -3,-1.3 -3,-0.0 -4,-0.2 -8,-0.0 -0.084 17.2 163.7 -56.4 126.6 1.4 1.7 16.5 315 326 A D >> - 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