==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/PROTEIN BINDING 30-JUL-10 3O71 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR W.F.MA,Y.SHANG,Z.Y.WEI,W.Y.WEN,W.N.WANG,M.J.ZHANG . 348 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 61.2 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 12.1 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 . 25 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 28.7 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 1 0 1 1 0 2 0 0 0 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 . 0 3 2 0 0 2 0 1 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 . 2 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 9 A P 0 0 122 0, 0.0 9,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 136.7 -37.8 9.5 1.9 2 10 A E - 0 0 85 7,-0.4 7,-2.2 6,-0.1 2,-0.4 -0.342 360.0-141.9 -64.1 139.2 -37.2 5.8 1.3 3 11 A M E -A 8 0A 125 5,-0.2 2,-0.5 -2,-0.1 5,-0.2 -0.879 10.5-162.7-107.6 136.5 -39.6 3.4 3.0 4 12 A V E > S-A 7 0A 12 3,-2.7 3,-0.7 -2,-0.4 15,-0.1 -0.968 72.1 -29.5-122.6 116.9 -38.7 0.1 4.5 5 13 A R T 3 S- 0 0 192 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.781 129.6 -41.7 48.8 36.2 -41.4 -2.6 5.2 6 14 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.724 116.6 109.5 87.1 25.3 -44.0 0.1 5.7 7 15 A Q E < -A 4 0A 28 -3,-0.7 -3,-2.7 2,-0.0 2,-0.5 -0.993 64.9-127.3-136.4 129.8 -41.9 2.6 7.7 8 16 A V E -A 3 0A 60 -2,-0.4 2,-0.8 -5,-0.2 -5,-0.2 -0.610 16.8-161.7 -79.4 120.6 -40.6 6.0 6.6 9 17 A F > - 0 0 2 -7,-2.2 2,-1.6 -2,-0.5 3,-0.5 -0.857 4.2-171.5-103.4 97.6 -36.8 6.5 7.1 10 18 A D T 3 + 0 0 99 -2,-0.8 82,-0.1 1,-0.2 -2,-0.0 -0.492 50.3 113.5 -87.8 67.1 -36.1 10.2 7.0 11 19 A V T 3> + 0 0 4 -2,-1.6 4,-1.1 4,-0.2 3,-0.4 0.565 54.2 142.6-111.4 -18.0 -32.3 9.8 7.0 12 20 A G T <4 + 0 0 43 -3,-0.5 4,-0.1 1,-0.3 0, 0.0 -0.126 39.2 35.8 -58.2 163.0 -31.6 11.2 3.5 13 21 A P T 4 S+ 0 0 123 0, 0.0 -1,-0.3 0, 0.0 22,-0.2 -0.981 127.7 37.2 -81.3 -15.9 -29.8 12.7 1.8 14 22 A R T 4 S+ 0 0 81 -3,-0.4 21,-3.1 1,-0.1 2,-0.5 0.850 119.0 48.5 -63.5 -38.5 -26.7 11.5 3.7 15 23 A Y E < S+B 34 0B 5 -4,-1.1 -4,-0.2 19,-0.2 2,-0.2 -0.922 70.2 142.1-114.8 123.2 -28.0 8.0 4.3 16 24 A T E +B 33 0B 27 17,-2.0 17,-2.9 -2,-0.5 -2,-0.0 -0.713 35.6 68.3-138.9-174.5 -29.5 5.8 1.5 17 25 A N E - 0 0 112 -2,-0.2 2,-0.4 15,-0.2 -1,-0.2 0.971 67.4-171.8 59.4 62.4 -29.7 2.3 0.3 18 26 A L E + 0 0 25 14,-0.1 2,-0.3 -3,-0.1 14,-0.2 -0.714 16.2 172.1 -98.3 134.0 -31.8 0.9 3.2 19 27 A S E -B 31 0B 63 12,-1.6 12,-2.2 -2,-0.4 -15,-0.1 -0.993 37.4-101.8-142.8 134.8 -32.6 -2.8 3.9 20 28 A Y E +B 30 0B 64 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.193 39.0 164.3 -54.2 132.4 -34.3 -4.4 6.9 21 29 A I E - 0 0 36 8,-2.7 2,-0.3 1,-0.5 9,-0.2 0.705 61.4 -42.8-108.9 -56.0 -32.0 -6.1 9.5 22 30 A G E -B 29 0B 10 7,-1.4 7,-2.9 2,-0.0 -1,-0.5 -0.924 49.1-140.9-162.2-179.1 -34.3 -6.5 12.5 23 31 A E E -B 28 0B 136 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.990 5.5-163.5-155.1 156.7 -36.8 -4.8 14.8 24 32 A G - 0 0 55 3,-2.8 3,-0.2 -2,-0.3 5,-0.0 -0.364 52.5 -67.3-120.4-156.1 -37.9 -4.4 18.4 25 33 A A S S+ 0 0 80 1,-0.2 3,-0.0 -2,-0.1 29,-0.0 0.844 130.4 8.3 -67.4 -36.1 -41.0 -3.2 20.3 26 34 A Y S S+ 0 0 50 28,-0.0 21,-2.5 19,-0.0 2,-0.3 -0.056 123.5 56.1-140.1 31.2 -40.5 0.5 19.2 27 35 A G E - C 0 46B 19 -3,-0.2 -3,-2.8 19,-0.2 2,-0.4 -0.995 52.2-150.9-162.5 156.2 -37.8 0.4 16.6 28 36 A M E -BC 23 45B 18 17,-1.6 17,-2.6 -2,-0.3 2,-0.4 -0.998 15.4-150.9-131.4 137.8 -36.5 -1.0 13.4 29 37 A V E +BC 22 44B 33 -7,-2.9 -8,-2.7 -2,-0.4 -7,-1.4 -0.889 17.5 178.1-110.6 139.7 -32.8 -1.4 12.4 30 38 A C E -BC 20 43B 0 13,-2.1 13,-2.8 -2,-0.4 2,-0.3 -0.969 30.6-119.7-136.6 150.6 -31.5 -1.3 8.8 31 39 A S E +BC 19 42B 8 -12,-2.2 -12,-1.6 -2,-0.3 2,-0.3 -0.646 44.2 171.2 -80.4 148.3 -28.2 -1.5 6.9 32 40 A A E - C 0 41B 2 9,-2.9 9,-3.2 -2,-0.3 2,-0.5 -0.970 33.8-113.4-153.5 165.0 -27.5 1.7 5.0 33 41 A Y E -BC 16 40B 81 -17,-2.9 -17,-2.0 -2,-0.3 2,-0.8 -0.927 21.9-141.8-108.2 130.5 -24.8 3.5 2.9 34 42 A D E >> -BC 15 39B 3 5,-3.3 5,-1.2 -2,-0.5 4,-1.1 -0.816 9.2-164.6 -93.3 105.4 -23.3 6.8 4.2 35 43 A N T 45S+ 0 0 80 -21,-3.1 -1,-0.1 -2,-0.8 -20,-0.1 0.609 84.2 51.8 -66.0 -15.5 -22.8 9.1 1.3 36 44 A L T 45S+ 0 0 120 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.0 0.938 119.9 27.3 -86.1 -56.9 -20.5 11.4 3.2 37 45 A N T 45S- 0 0 107 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.407 101.6-126.4 -87.5 2.3 -17.9 9.0 4.7 38 46 A K T <5 + 0 0 66 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.919 69.2 120.1 50.2 52.7 -18.4 6.5 1.8 39 47 A V E < -C 34 0B 72 -5,-1.2 -5,-3.3 0, 0.0 2,-0.4 -0.975 68.7-108.2-143.3 150.7 -19.0 3.6 4.2 40 48 A R E +C 33 0B 137 -2,-0.3 57,-0.7 -7,-0.2 -7,-0.3 -0.695 44.8 177.2 -81.0 132.2 -21.8 1.2 5.1 41 49 A V E -CD 32 96B 6 -9,-3.2 -9,-2.9 -2,-0.4 2,-0.4 -0.742 29.4-118.0-126.3 172.7 -23.6 1.9 8.4 42 50 A A E -CD 31 95B 8 53,-3.1 53,-3.3 -11,-0.2 2,-0.5 -0.961 24.9-163.4-111.3 136.0 -26.5 0.7 10.5 43 51 A I E -CD 30 94B 0 -13,-2.8 -13,-2.1 -2,-0.4 2,-0.6 -0.982 2.5-162.2-123.6 127.2 -29.4 3.0 11.3 44 52 A K E -CD 29 93B 60 49,-2.9 49,-3.0 -2,-0.5 2,-0.6 -0.924 6.6-154.2-109.7 115.2 -31.9 2.5 14.1 45 53 A K E -CD 28 92B 29 -17,-2.6 -17,-1.6 -2,-0.6 2,-0.4 -0.832 16.1-169.2 -87.4 121.0 -35.3 4.3 13.9 46 54 A I E -CD 27 91B 11 45,-3.3 45,-2.6 -2,-0.6 -19,-0.2 -0.948 16.9-179.5-115.9 128.6 -36.7 4.7 17.5 47 55 A S + 0 0 51 -21,-2.5 3,-0.2 -2,-0.4 43,-0.1 -0.718 30.1 136.8-124.7 80.6 -40.2 5.9 18.2 48 56 A P > + 0 0 1 0, 0.0 3,-2.0 0, 0.0 7,-0.4 0.508 32.9 101.6-103.9 -6.0 -40.5 6.0 22.0 49 57 A F T 3 S+ 0 0 18 40,-0.4 281,-0.1 1,-0.3 280,-0.1 0.572 76.5 56.5 -73.3 -12.6 -42.3 9.2 22.9 50 58 A E T 3 S+ 0 0 147 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.453 103.6 63.8 -89.9 -1.0 -45.8 7.9 23.6 51 59 A H <> - 0 0 85 -3,-2.0 4,-2.3 1,-0.1 5,-0.2 -0.966 66.7-153.4-134.3 119.8 -44.5 5.5 26.3 52 60 A Q H > S+ 0 0 52 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.846 98.9 45.9 -57.4 -42.7 -42.8 6.4 29.5 53 61 A T H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.898 110.3 53.5 -71.9 -39.7 -40.7 3.2 29.9 54 62 A Y H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 109.8 50.4 -56.3 -42.6 -39.6 3.4 26.2 55 63 A C H X S+ 0 0 0 -4,-2.3 4,-2.7 -7,-0.4 -2,-0.2 0.913 110.2 48.8 -61.4 -46.9 -38.4 6.9 26.9 56 64 A Q H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 113.9 45.0 -58.1 -51.6 -36.4 5.8 30.0 57 65 A R H X S+ 0 0 37 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.889 114.0 50.6 -62.0 -40.7 -34.7 2.9 28.2 58 66 A T H X S+ 0 0 10 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.922 111.8 46.5 -62.7 -46.5 -34.0 5.2 25.2 59 67 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.922 113.0 49.6 -63.1 -45.6 -32.5 7.9 27.3 60 68 A R H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.921 111.8 49.2 -57.9 -47.1 -30.4 5.4 29.3 61 69 A E H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.934 113.1 46.2 -58.2 -51.0 -29.1 3.8 26.1 62 70 A I H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.944 114.1 46.8 -60.5 -50.8 -28.2 7.1 24.5 63 71 A K H X S+ 0 0 25 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.916 116.6 43.7 -58.3 -47.2 -26.4 8.5 27.6 64 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 3,-0.4 0.952 114.0 48.7 -66.0 -50.8 -24.4 5.3 28.2 65 73 A L H < S+ 0 0 4 -4,-2.6 11,-0.4 -5,-0.3 -1,-0.2 0.852 110.4 51.4 -60.4 -37.6 -23.4 4.7 24.6 66 74 A L H < S+ 0 0 13 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.813 114.8 43.3 -68.4 -30.9 -22.2 8.3 24.1 67 75 A R H < S+ 0 0 155 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.892 101.2 79.8 -79.8 -43.3 -20.0 8.0 27.2 68 76 A F < - 0 0 10 -4,-2.8 2,-0.3 -5,-0.1 62,-0.0 -0.368 51.9-178.8 -70.3 140.4 -18.6 4.5 26.5 69 77 A R + 0 0 172 -2,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.794 27.7 129.8-141.1 97.4 -15.7 4.0 24.1 70 78 A H > - 0 0 18 3,-0.5 3,-1.7 -2,-0.3 56,-0.1 -0.991 60.0-125.2-150.8 143.2 -14.6 0.4 23.7 71 79 A E T 3 S+ 0 0 129 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.743 112.1 49.1 -58.1 -28.9 -14.0 -1.9 20.7 72 80 A N T 3 S+ 0 0 5 82,-0.1 83,-3.3 53,-0.1 2,-0.4 0.139 101.2 73.6-103.1 17.5 -16.5 -4.5 22.0 73 81 A I B < S-f 155 0C 7 -3,-1.7 -3,-0.5 81,-0.3 83,-0.2 -0.998 88.3-112.5-130.8 129.5 -19.3 -2.0 22.7 74 82 A I - 0 0 2 81,-2.2 2,-0.2 -2,-0.4 -6,-0.1 -0.316 34.4-152.0 -60.4 135.0 -21.4 -0.4 20.0 75 83 A G - 0 0 22 -4,-0.1 2,-0.5 -6,-0.1 21,-0.3 -0.509 14.4-119.9 -97.9 171.8 -20.9 3.3 19.6 76 84 A I + 0 0 19 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.983 26.5 178.9-113.8 119.8 -23.2 6.0 18.4 77 85 A N - 0 0 79 17,-2.8 2,-0.3 -2,-0.5 18,-0.2 0.761 66.2 -9.0 -89.3 -29.5 -21.8 7.8 15.3 78 86 A D E -E 94 0B 22 16,-1.2 16,-2.8 2,-0.0 2,-0.4 -0.972 55.8-145.3-165.1 151.9 -24.6 10.3 14.6 79 87 A I E -E 93 0B 2 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.993 11.8-160.9-130.8 128.1 -28.1 11.0 15.8 80 88 A I E +E 92 0B 41 12,-2.9 12,-3.2 -2,-0.4 2,-0.3 -0.938 28.0 137.4-110.3 124.7 -30.8 12.4 13.5 81 89 A R - 0 0 19 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.953 54.8 -70.2-153.5 170.0 -33.9 14.1 14.8 82 90 A A - 0 0 23 8,-0.4 6,-0.1 -2,-0.3 5,-0.0 -0.218 38.3-120.3 -66.8 149.6 -36.1 17.1 14.1 83 91 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.697 97.8 48.3 -61.8 -21.6 -34.8 20.7 14.7 84 92 A T S > S- 0 0 59 1,-0.1 4,-1.1 0, 0.0 3,-0.3 -0.945 81.4-127.6-125.3 147.0 -37.7 21.4 17.1 85 93 A I T 4 S+ 0 0 58 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.860 109.0 52.0 -59.9 -41.0 -39.0 19.4 20.1 86 94 A E T 4 S+ 0 0 168 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.877 109.7 50.0 -62.7 -38.6 -42.6 19.4 18.9 87 95 A Q T 4 S+ 0 0 124 -3,-0.3 2,-0.8 2,-0.0 -1,-0.2 0.701 87.8 101.0 -72.7 -20.7 -41.6 18.1 15.5 88 96 A M < + 0 0 0 -4,-1.1 3,-0.1 -3,-0.4 246,-0.1 -0.563 28.7 139.5 -75.0 107.6 -39.5 15.3 17.0 89 97 A K + 0 0 123 -2,-0.8 -40,-0.4 1,-0.2 2,-0.3 0.579 68.2 35.0-114.0 -25.0 -41.5 12.0 16.8 90 98 A D - 0 0 49 -3,-0.2 -8,-0.4 -43,-0.1 2,-0.4 -0.911 63.4-150.4-131.6 154.3 -38.7 9.7 15.8 91 99 A V E -D 46 0B 0 -45,-2.6 -45,-3.3 -2,-0.3 2,-0.6 -0.998 8.7-153.9-126.7 131.8 -35.0 9.4 16.6 92 100 A Y E -DE 45 80B 11 -12,-3.2 -12,-2.9 -2,-0.4 2,-0.6 -0.924 7.3-163.7-107.1 118.4 -32.5 7.9 14.2 93 101 A I E -DE 44 79B 12 -49,-3.0 -49,-2.9 -2,-0.6 2,-0.5 -0.899 6.2-155.7-102.9 119.3 -29.4 6.4 15.7 94 102 A V E +DE 43 78B 1 -16,-2.8 -17,-2.8 -2,-0.6 -16,-1.2 -0.845 24.3 161.7 -98.8 126.6 -26.5 5.8 13.3 95 103 A Q E -D 42 0B 15 -53,-3.3 -53,-3.1 -2,-0.5 -19,-0.1 -0.827 46.0 -70.6-134.7 169.3 -24.0 3.1 14.3 96 104 A D E -D 41 0B 67 -21,-0.3 2,-0.5 -2,-0.3 -55,-0.2 -0.377 61.3-103.1 -56.9 139.5 -21.3 0.9 12.8 97 105 A L - 0 0 22 -57,-0.7 2,-0.5 -65,-0.1 -1,-0.1 -0.602 38.4-177.5 -74.0 119.5 -22.8 -1.8 10.6 98 106 A M - 0 0 13 -2,-0.5 50,-0.2 1,-0.1 49,-0.1 -0.980 16.8-151.9-116.5 114.3 -22.9 -5.2 12.2 99 107 A E - 0 0 67 -2,-0.5 2,-0.2 47,-0.1 49,-0.2 0.731 67.6 -11.6 -60.6 -28.3 -24.3 -7.7 9.7 100 108 A T E -G 147 0C 12 47,-2.4 47,-2.8 -3,-0.1 2,-0.3 -0.795 62.3-122.2-153.6-173.9 -25.8 -10.1 12.3 101 109 A D E > -G 146 0C 19 45,-0.3 4,-2.4 -2,-0.2 45,-0.2 -0.910 35.3-101.5-138.4 172.0 -26.0 -11.0 15.9 102 110 A L H > S+ 0 0 0 43,-2.1 4,-2.6 40,-1.1 41,-0.2 0.848 118.6 57.6 -64.5 -35.2 -25.3 -14.1 18.0 103 111 A Y H > S+ 0 0 103 39,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.962 112.6 39.0 -56.7 -55.0 -29.1 -15.0 18.2 104 112 A K H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.885 115.0 54.8 -63.2 -40.2 -29.4 -15.1 14.4 105 113 A L H >X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 3,-1.0 0.901 107.0 49.1 -61.7 -43.7 -26.0 -16.8 14.0 106 114 A L H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.717 105.3 59.0 -71.5 -21.6 -26.9 -19.6 16.3 107 115 A K H 3< S+ 0 0 124 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.698 116.0 34.9 -73.7 -19.2 -30.2 -20.2 14.5 108 116 A T H << S+ 0 0 67 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.634 119.9 18.9-114.4 -22.2 -28.3 -20.8 11.3 109 117 A Q < - 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0 0 45 -2,-0.3 3,-0.2 1,-0.1 41,-0.1 -0.326 38.3-168.5 -53.2 130.8 -36.3 -12.4 28.1 177 189 A R > + 0 0 80 39,-0.3 3,-1.7 1,-0.1 -1,-0.1 0.457 60.9 96.8-102.0 -4.5 -35.8 -14.1 31.5 178 190 A W T 3 S+ 0 0 80 1,-0.3 36,-0.3 38,-0.1 -1,-0.1 0.671 85.8 45.2 -65.8 -22.0 -33.6 -17.1 30.3 179 191 A Y T 3 S+ 0 0 15 -3,-0.2 2,-0.3 -39,-0.1 -1,-0.3 0.199 86.5 123.9-107.4 13.1 -30.3 -15.4 31.1 180 192 A R < - 0 0 21 -3,-1.7 5,-0.1 1,-0.1 16,-0.1 -0.622 63.9-115.2 -87.1 131.7 -31.2 -14.2 34.5 181 193 A A >> - 0 0 0 -2,-0.3 3,-1.4 14,-0.2 4,-0.8 -0.220 26.6-115.6 -55.7 146.7 -29.2 -15.1 37.7 182 194 A P H >> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.6 0.872 112.7 64.2 -54.5 -40.2 -31.1 -17.2 40.3 183 195 A E H 34>S+ 0 0 17 1,-0.2 5,-0.9 99,-0.2 -2,-0.0 0.730 94.6 61.8 -59.7 -24.0 -30.9 -14.4 42.9 184 196 A I H X45S+ 0 0 11 -3,-1.4 3,-1.4 3,-0.2 -1,-0.2 0.944 107.0 41.6 -66.9 -48.7 -33.1 -12.3 40.6 185 197 A M H <<5S+ 0 0 14 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.783 107.6 62.2 -69.1 -27.6 -36.0 -14.7 40.8 186 198 A L T 3<5S- 0 0 13 -4,-1.7 -1,-0.3 37,-0.0 60,-0.2 0.352 121.1-112.4 -79.1 6.7 -35.3 -15.1 44.6 187 199 A N T < 5 0 0 104 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.983 360.0 360.0 60.6 68.8 -36.1 -11.4 44.8 188 200 A S < 0 0 66 -5,-0.9 -1,-0.1 -4,-0.2 53,-0.0 -0.447 360.0 360.0-130.0 360.0 -32.8 -9.8 45.7 189 ! 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 0.0 190 202 A G 0 0 21 0, 0.0 -20,-0.1 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 8.1 -30.5 -7.7 41.1 191 203 A Y + 0 0 65 -27,-0.0 2,-0.3 4,-0.0 -55,-0.0 -0.063 360.0 93.6-144.8 37.1 -27.7 -5.3 41.7 192 204 A T S > S- 0 0 76 1,-0.1 3,-1.5 -28,-0.0 4,-0.4 -0.920 77.5-116.7-117.0 158.2 -24.2 -6.9 41.8 193 205 A K T >> S+ 0 0 84 -2,-0.3 3,-1.2 1,-0.3 4,-1.0 0.758 106.5 79.2 -55.9 -25.9 -21.9 -7.4 38.8 194 206 A S H 3> S+ 0 0 17 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.751 79.3 65.7 -59.9 -27.2 -22.3 -11.1 39.4 195 207 A I H <> S+ 0 0 3 -3,-1.5 4,-1.6 1,-0.2 -1,-0.3 0.868 100.3 51.3 -63.5 -34.9 -25.7 -11.2 37.6 196 208 A D H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.4 -1,-0.2 0.861 106.1 54.2 -68.5 -37.8 -24.0 -10.2 34.3 197 209 A I H X S+ 0 0 2 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.910 106.0 53.1 -63.1 -42.5 -21.4 -13.1 34.7 198 210 A W H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.925 108.0 50.9 -54.2 -48.3 -24.4 -15.6 35.1 199 211 A S H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.895 108.6 51.2 -58.7 -43.0 -25.8 -14.2 31.8 200 212 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.897 107.7 53.0 -61.0 -42.8 -22.5 -14.7 30.1 201 213 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.891 108.5 50.0 -56.1 -42.1 -22.4 -18.3 31.4 202 214 A C H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 11,-0.4 0.852 110.5 50.2 -65.9 -35.5 -25.9 -18.8 29.9 203 215 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.888 108.8 51.5 -69.4 -41.4 -24.6 -17.4 26.6 204 216 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.941 109.2 50.4 -58.6 -49.8 -21.6 -19.8 26.6 205 217 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 6,-0.3 0.903 109.7 51.9 -54.2 -43.4 -23.8 -22.8 27.2 206 218 A E H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 5,-0.3 0.842 106.9 51.8 -65.2 -36.0 -26.0 -21.6 24.2 207 219 A M H < S+ 0 0 1 -4,-2.0 -96,-0.5 1,-0.2 -1,-0.2 0.834 108.3 53.9 -67.6 -31.8 -22.9 -21.3 22.0 208 220 A L H < S+ 0 0 37 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.813 127.7 14.5 -71.5 -30.5 -22.0 -24.9 22.9 209 221 A S H < S- 0 0 35 -4,-1.3 -2,-0.2 2,-0.3 -3,-0.2 0.456 92.4-120.9-126.3 -5.8 -25.3 -26.5 22.0 210 222 A N S < S+ 0 0 31 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.695 84.2 93.1 61.6 22.8 -27.3 -24.0 19.9 211 223 A R S S- 0 0 176 -6,-0.3 -2,-0.3 -5,-0.3 -1,-0.2 -0.997 85.9-100.9-142.0 145.1 -30.1 -24.0 22.5 212 224 A P - 0 0 29 0, 0.0 -9,-0.1 0, 0.0 -33,-0.0 -0.455 27.0-148.1 -61.9 132.7 -30.9 -21.9 25.5 213 225 A I S S+ 0 0 24 -11,-0.4 -34,-0.1 1,-0.2 -10,-0.0 0.899 89.8 26.7 -71.2 -40.6 -29.9 -23.7 28.6 214 226 A F + 0 0 1 -36,-0.3 2,-2.0 -12,-0.1 -1,-0.2 -0.662 68.6 174.9-124.6 74.9 -32.6 -22.4 30.9 215 227 A P + 0 0 45 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.379 17.3 176.4 -84.7 67.3 -35.7 -21.4 28.8 216 228 A G - 0 0 0 -2,-2.0 -39,-0.3 1,-0.1 -38,-0.1 -0.374 28.0-156.2 -74.2 147.8 -38.1 -20.5 31.6 217 229 A K S S+ 0 0 165 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.497 77.3 2.2 -99.3 -10.3 -41.6 -19.1 30.9 218 230 A H S > S- 0 0 101 1,-0.1 4,-3.0 -41,-0.0 5,-0.2 -0.941 91.3 -81.3-164.9 176.9 -42.0 -17.3 34.2 219 231 A Y H > S+ 0 0 131 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.881 126.0 43.2 -62.8 -42.2 -40.1 -16.6 37.4 220 232 A L H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 115.4 49.6 -67.8 -38.6 -40.7 -19.9 39.1 221 233 A D H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.908 109.2 52.8 -65.9 -43.4 -40.1 -21.9 35.9 222 234 A Q H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.935 111.7 45.5 -55.9 -50.3 -36.9 -20.0 35.3 223 235 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.911 112.0 51.6 -58.5 -46.4 -35.7 -21.0 38.8 224 236 A N H X S+ 0 0 73 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.860 105.6 55.2 -62.7 -36.9 -36.8 -24.6 38.4 225 237 A H H X S+ 0 0 64 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.908 110.3 47.0 -59.1 -42.6 -34.9 -24.9 35.0 226 238 A I H >X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 3,-0.6 0.923 112.4 48.2 -66.2 -46.1 -31.7 -23.8 36.9 227 239 A L H 3X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.849 103.1 64.1 -62.6 -35.9 -32.3 -26.2 39.8 228 240 A G H 3< S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.839 116.5 27.5 -54.8 -35.6 -33.0 -29.0 37.2 229 241 A I H << S+ 0 0 29 -4,-1.0 30,-3.0 -3,-0.6 -2,-0.2 0.893 127.1 39.5 -95.8 -49.8 -29.3 -28.7 36.0 230 242 A L H < S- 0 0 22 -4,-2.8 28,-0.3 28,-0.2 -3,-0.2 0.675 101.8-139.3 -74.7 -17.9 -27.3 -27.4 39.0 231 243 A G < - 0 0 4 -4,-1.8 26,-0.2 -5,-0.4 -1,-0.2 -0.133 46.6 -30.8 76.6 176.3 -29.2 -29.6 41.4 232 244 A S S S- 0 0 34 24,-2.4 26,-0.1 1,-0.1 19,-0.0 -0.385 75.7-106.5 -61.9 136.4 -30.4 -28.4 44.9 233 245 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 -0.342 37.7-104.3 -64.8 148.0 -28.0 -25.8 46.4 234 246 A S > - 0 0 54 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.215 30.4-107.4 -61.9 161.2 -25.8 -27.0 49.3 235 247 A Q H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.886 122.4 57.7 -58.3 -38.5 -26.7 -26.0 52.9 236 248 A E H 4 S+ 0 0 120 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.918 108.8 43.2 -56.3 -47.5 -23.7 -23.6 52.7 237 249 A D H >4 S+ 0 0 21 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.865 111.0 55.0 -71.6 -36.1 -25.2 -21.8 49.7 238 250 A L H >< S+ 0 0 7 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.914 102.2 58.5 -55.2 -45.3 -28.7 -21.8 51.2 239 251 A N T 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.637 99.7 58.9 -63.5 -14.0 -27.2 -20.0 54.3 240 252 A C T < S+ 0 0 56 -3,-1.0 2,-0.8 -4,-0.4 -1,-0.3 0.521 79.2 98.9 -93.8 -8.2 -26.0 -17.2 52.0 241 253 A I < - 0 0 16 -3,-1.9 6,-0.1 -4,-0.3 42,-0.0 -0.733 59.4-163.6 -79.2 111.3 -29.5 -16.4 50.8 242 254 A I + 0 0 139 -2,-0.8 2,-0.8 4,-0.1 -1,-0.2 0.792 68.1 80.5 -72.1 -30.6 -30.5 -13.4 52.9 243 255 A N > - 0 0 61 1,-0.2 4,-2.4 -57,-0.1 5,-0.1 -0.707 67.6-158.5 -81.3 111.6 -34.2 -13.5 52.2 244 256 A L H > S+ 0 0 80 -2,-0.8 4,-3.2 2,-0.2 5,-0.3 0.854 88.7 55.0 -59.5 -41.9 -35.6 -16.2 54.6 245 257 A K H > S+ 0 0 172 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 112.3 44.3 -56.9 -47.9 -38.8 -16.9 52.6 246 258 A A H > S+ 0 0 11 2,-0.2 4,-2.1 -60,-0.2 -2,-0.2 0.898 114.2 50.5 -62.7 -42.4 -36.7 -17.6 49.5 247 259 A R H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 112.2 45.7 -61.4 -49.4 -34.2 -19.7 51.5 248 260 A N H X S+ 0 0 85 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.811 109.1 56.9 -66.8 -31.2 -36.9 -21.8 53.0 249 261 A Y H X S+ 0 0 76 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.938 110.6 42.8 -62.1 -49.2 -38.7 -22.2 49.7 250 262 A L H >< S+ 0 0 8 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.916 112.6 54.0 -64.0 -42.2 -35.5 -23.7 48.1 251 263 A L H 3< S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 105.9 54.8 -57.0 -35.8 -34.9 -25.8 51.2 252 264 A S H 3< S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.640 85.2 99.7 -77.2 -19.5 -38.5 -27.3 50.9 253 265 A L S << S- 0 0 45 -3,-0.9 3,-0.1 -4,-0.7 -21,-0.0 -0.364 88.4 -92.0 -70.0 148.5 -38.2 -28.5 47.3 254 266 A P - 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