==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-12 4FV4 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 330 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 59.4 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 . 40 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.0 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+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 2 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 3 0 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 . 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 7 A A 0 0 165 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.9 -24.1 18.4 -5.1 2 8 A G - 0 0 60 2,-0.0 12,-0.1 10,-0.0 2,-0.1 -0.124 360.0 -25.9 85.7 179.6 -20.3 18.4 -4.6 3 9 A P S S- 0 0 93 0, 0.0 9,-0.2 0, 0.0 2,-0.0 -0.392 70.5-113.5 -68.2 143.6 -18.0 16.7 -1.9 4 10 A E - 0 0 52 7,-0.3 7,-2.6 -2,-0.1 2,-0.3 -0.268 29.3-160.0 -76.1 160.4 -19.6 15.9 1.5 5 11 A M E -A 10 0A 132 5,-0.3 2,-0.4 6,-0.1 5,-0.2 -0.996 11.4-166.7-145.0 142.1 -18.6 17.6 4.8 6 12 A V E > S-A 9 0A 15 3,-2.8 3,-0.8 -2,-0.3 23,-0.1 -0.976 76.8 -18.4-136.2 118.9 -19.0 16.8 8.5 7 13 A R T 3 S- 0 0 169 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.918 128.6 -47.1 49.8 58.2 -18.4 19.5 11.3 8 14 A G T 3 S+ 0 0 70 1,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.607 118.4 109.5 63.2 19.6 -16.4 21.9 9.0 9 15 A Q E < S-A 6 0A 92 -3,-0.8 -3,-2.8 2,-0.0 -1,-0.1 -0.993 73.2-112.6-128.7 132.1 -14.2 19.0 7.6 10 16 A V E +A 5 0A 54 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.1 -0.237 29.0 178.6 -58.8 140.4 -14.2 17.5 4.1 11 17 A F - 0 0 0 -7,-2.6 2,-1.8 82,-0.0 3,-0.3 -0.499 6.4-175.9-146.2 61.9 -15.4 13.9 4.0 12 18 A D + 0 0 88 1,-0.2 81,-0.1 -9,-0.2 -7,-0.1 -0.483 39.6 122.0 -70.5 77.6 -15.2 13.2 0.3 13 19 A V > + 0 0 5 -2,-1.8 4,-1.1 4,-0.2 3,-0.4 0.512 50.5 141.8-115.2 -15.2 -16.7 9.6 0.2 14 20 A G T 4 + 0 0 29 -3,-0.3 4,-0.1 1,-0.2 -10,-0.0 -0.125 36.2 37.1 -67.7 164.7 -19.7 10.2 -2.2 15 21 A P T 4 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 -1.000 127.7 37.5 -84.1 -8.9 -21.5 9.3 -4.4 16 22 A R T 4 S+ 0 0 78 -3,-0.4 20,-2.1 1,-0.2 2,-0.6 0.897 120.5 47.1 -68.5 -44.1 -21.5 5.7 -3.0 17 23 A Y E < S+B 35 0B 3 -4,-1.1 -4,-0.2 18,-0.2 18,-0.2 -0.917 76.1 151.1-108.3 114.7 -21.5 6.8 0.6 18 24 A T E +B 34 0B 34 16,-2.1 16,-3.1 -2,-0.6 -2,-0.0 -0.633 39.4 55.0-126.8-176.7 -24.1 9.4 1.5 19 25 A N E S- 0 0 106 14,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.905 72.6-165.8 48.2 60.2 -26.2 10.6 4.5 20 26 A L E - 0 0 35 13,-0.2 2,-0.3 -3,-0.1 13,-0.2 -0.402 15.3-179.1 -75.6 148.2 -23.2 11.0 6.9 21 27 A S E -B 32 0B 56 11,-1.5 11,-2.4 -2,-0.1 -15,-0.1 -0.944 29.7-111.5-151.5 127.5 -23.5 11.4 10.7 22 28 A Y E +B 31 0B 66 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.228 35.6 165.3 -59.4 142.9 -20.7 11.9 13.3 23 29 A I E - 0 0 85 7,-2.0 2,-0.2 1,-0.4 8,-0.2 0.630 54.2 -69.1-119.0 -64.8 -19.8 9.2 15.8 24 30 A G E -B 30 0B 21 6,-1.4 6,-2.8 4,-0.0 -1,-0.4 -0.829 48.2 -75.5-166.8-157.1 -16.4 10.0 17.3 25 31 A E E B 29 0B 156 4,-0.2 4,-0.2 -2,-0.2 20,-0.0 -0.803 360.0 360.0-124.0 163.1 -12.6 10.4 16.7 26 32 A G 0 0 70 2,-1.6 3,-0.2 -2,-0.3 -1,-0.1 -0.245 360.0 360.0 179.5 360.0 -9.7 7.9 16.3 27 ! 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 28 35 A G 0 0 48 0, 0.0 -2,-1.6 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0-160.4 -9.2 11.2 12.6 29 36 A M E -B 25 0B 10 -4,-0.2 17,-2.8 -3,-0.2 2,-0.4 -0.309 360.0-155.2 -63.8 138.4 -13.0 11.6 12.4 30 37 A V E +BC 24 45B 33 -6,-2.8 -7,-2.0 15,-0.2 -6,-1.4 -0.986 18.0 175.4-121.5 122.4 -15.3 8.5 12.3 31 38 A C E -BC 22 44B 0 13,-2.5 13,-3.0 -2,-0.4 2,-0.3 -0.853 29.7-124.3-122.8 160.5 -18.8 8.7 10.7 32 39 A S E -BC 21 43B 10 -11,-2.4 -11,-1.5 -2,-0.3 2,-0.3 -0.733 36.5-177.8 -96.2 147.6 -21.7 6.4 9.8 33 40 A A E - C 0 42B 0 9,-2.0 9,-3.1 -2,-0.3 2,-0.5 -0.995 30.4-112.4-150.6 150.1 -22.8 6.5 6.1 34 41 A Y E -BC 18 41B 86 -16,-3.1 -16,-2.1 -2,-0.3 2,-0.6 -0.718 26.0-147.0 -87.0 124.7 -25.4 5.0 3.8 35 42 A D E >> -BC 17 40B 2 5,-2.8 4,-0.9 -2,-0.5 5,-0.6 -0.863 5.3-162.9 -91.8 115.7 -23.9 2.6 1.2 36 43 A N T 45S+ 0 0 80 -20,-2.1 -1,-0.1 -2,-0.6 -19,-0.1 0.543 87.4 49.3 -73.1 -15.3 -26.0 2.9 -2.1 37 44 A V T 45S+ 0 0 97 -21,-0.2 -1,-0.1 3,-0.1 -20,-0.0 0.924 120.7 28.5 -90.6 -60.5 -24.6 -0.4 -3.4 38 45 A N T 45S- 0 0 100 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.483 100.5-131.9 -81.8 -2.6 -25.0 -2.9 -0.4 39 46 A K T <5 + 0 0 62 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.806 69.3 107.2 53.2 42.0 -28.1 -0.9 0.8 40 47 A V E + 0 0 2 0, 0.0 3,-1.2 0, 0.0 7,-0.4 0.533 32.8 98.7-106.4 -3.8 -1.5 10.7 8.2 50 57 A F T 3 S+ 0 0 50 40,-0.4 3,-0.1 1,-0.2 270,-0.1 0.553 71.6 70.3 -68.4 -9.5 1.0 12.2 5.6 51 58 A E T 3 S+ 0 0 175 -3,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.870 105.4 38.9 -73.1 -35.8 2.4 14.9 7.9 52 59 A H <> - 0 0 90 -3,-1.2 4,-1.2 1,-0.1 3,-0.4 -0.961 69.0-144.1-123.3 135.0 4.2 12.2 10.1 53 60 A Q H > S+ 0 0 45 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 0.758 103.0 59.4 -60.7 -30.8 6.1 9.0 8.9 54 61 A T H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 104.1 49.4 -68.0 -40.5 4.8 7.2 12.1 55 62 A Y H > S+ 0 0 111 -3,-0.4 4,-1.8 -6,-0.3 -1,-0.2 0.805 109.6 53.3 -68.6 -31.8 1.1 7.8 11.1 56 63 A C H X S+ 0 0 4 -4,-1.2 4,-2.3 -7,-0.4 -2,-0.2 0.915 111.8 42.6 -68.8 -47.0 1.8 6.5 7.6 57 64 A Q H X S+ 0 0 20 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.880 113.8 52.7 -69.3 -35.8 3.4 3.1 8.8 58 65 A R H X S+ 0 0 75 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.883 112.7 45.3 -62.7 -41.4 0.6 2.8 11.5 59 66 A T H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.902 114.9 47.7 -66.9 -46.5 -2.1 3.2 8.7 60 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.866 109.3 53.0 -65.1 -41.0 -0.2 0.8 6.3 61 68 A R H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.919 110.5 47.4 -62.6 -44.2 0.2 -1.9 9.0 62 69 A E H X S+ 0 0 3 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.926 112.9 48.1 -61.8 -49.6 -3.6 -1.9 9.8 63 70 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.942 115.3 45.0 -55.5 -53.2 -4.6 -2.1 6.1 64 71 A K H X S+ 0 0 52 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.854 118.0 44.0 -59.9 -41.9 -2.1 -5.0 5.5 65 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 3,-0.4 0.956 115.5 45.2 -69.8 -54.9 -3.2 -6.9 8.7 66 73 A L H < S+ 0 0 3 -4,-3.2 11,-0.5 1,-0.2 -2,-0.2 0.707 111.5 53.2 -67.5 -21.8 -7.0 -6.4 8.3 67 74 A L H < S+ 0 0 44 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.829 115.2 41.0 -80.2 -30.3 -7.0 -7.3 4.6 68 75 A R H < S+ 0 0 125 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.1 0.896 103.8 80.5 -79.1 -44.2 -5.1 -10.6 5.4 69 76 A F < + 0 0 15 -4,-2.9 2,-0.3 -5,-0.1 62,-0.0 -0.391 51.5 177.7 -70.4 137.8 -7.2 -11.4 8.6 70 77 A R + 0 0 226 -2,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.856 26.4 130.4-144.6 97.0 -10.7 -13.0 8.2 71 78 A H > - 0 0 19 3,-0.4 3,-1.4 -2,-0.3 56,-0.0 -0.978 59.6-125.0-152.1 144.7 -12.4 -13.7 11.6 72 79 A E T 3 S+ 0 0 107 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.717 111.1 50.4 -62.8 -28.2 -15.8 -13.0 13.2 73 80 A N T 3 S+ 0 0 4 82,-0.1 83,-2.1 53,-0.1 2,-0.4 0.138 102.2 72.4-101.8 19.5 -14.3 -11.2 16.3 74 81 A I B < S-f 156 0C 6 -3,-1.4 -3,-0.4 81,-0.3 2,-0.2 -0.999 83.8-120.3-133.8 132.9 -12.1 -8.9 14.2 75 82 A I - 0 0 2 81,-2.4 2,-0.1 -2,-0.4 -6,-0.1 -0.519 32.7-156.8 -72.0 135.8 -13.3 -5.9 12.1 76 83 A G - 0 0 22 -2,-0.2 2,-0.5 -4,-0.1 21,-0.3 -0.345 18.8-106.4-100.1-173.9 -12.4 -6.2 8.4 77 84 A I + 0 0 18 -11,-0.5 19,-0.2 1,-0.1 3,-0.1 -0.990 29.7 175.8-119.7 121.1 -12.0 -3.7 5.6 78 85 A N - 0 0 66 17,-2.6 2,-0.3 -2,-0.5 18,-0.2 0.813 68.7 -7.5 -90.5 -38.9 -14.9 -3.6 3.0 79 86 A D E -E 95 0B 18 16,-1.4 16,-3.2 2,-0.0 -1,-0.4 -0.978 52.9-149.4-156.4 158.0 -13.6 -0.6 1.0 80 87 A I E -E 94 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.992 12.4-164.3-136.7 127.0 -10.9 2.2 0.9 81 88 A I E +E 93 0B 34 12,-2.3 12,-3.2 -2,-0.4 2,-0.3 -0.925 23.3 142.0-112.5 135.8 -11.4 5.6 -0.7 82 89 A R - 0 0 18 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.929 55.8 -64.1-159.7 167.0 -8.5 8.0 -1.6 83 90 A A - 0 0 22 8,-0.4 6,-0.1 -2,-0.3 0, 0.0 -0.192 41.7-122.1 -58.6 145.9 -7.6 10.5 -4.4 84 91 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.780 98.2 48.5 -62.1 -25.4 -7.1 9.1 -8.0 85 92 A T S > S- 0 0 56 1,-0.1 4,-0.8 0, 0.0 3,-0.4 -0.882 81.5-129.3-116.9 148.4 -3.5 10.7 -8.0 86 93 A I T 4 S+ 0 0 42 -2,-0.3 3,-0.3 1,-0.2 -3,-0.1 0.818 108.2 59.9 -61.5 -35.0 -0.7 10.5 -5.3 87 94 A E T 4 S+ 0 0 153 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.853 109.8 41.0 -61.9 -41.2 -0.3 14.3 -5.4 88 95 A Q T 4 S+ 0 0 126 -3,-0.4 2,-1.0 2,-0.0 -1,-0.2 0.564 86.1 111.6 -85.4 -13.7 -4.0 14.9 -4.4 89 96 A M < + 0 0 2 -4,-0.8 3,-0.1 -3,-0.3 235,-0.1 -0.527 24.1 140.4 -69.8 100.1 -3.9 12.0 -1.7 90 97 A K + 0 0 56 -2,-1.0 -40,-0.4 1,-0.2 2,-0.3 0.592 66.4 32.7-109.0 -24.9 -4.2 14.0 1.6 91 98 A D - 0 0 42 -3,-0.2 -8,-0.4 -43,-0.2 2,-0.4 -0.910 60.1-148.9-134.7 160.4 -6.6 11.5 3.3 92 99 A V E -D 47 0B 0 -45,-2.6 -45,-2.3 -2,-0.3 2,-0.7 -0.999 12.9-157.6-131.5 120.8 -7.4 7.7 3.4 93 100 A Y E -DE 46 81B 8 -12,-3.2 -12,-2.3 -2,-0.4 2,-0.6 -0.913 5.7-161.5-104.4 108.6 -11.1 6.7 4.1 94 101 A I E -DE 45 80B 0 -49,-2.4 -49,-2.3 -2,-0.7 2,-0.5 -0.841 6.7-153.8 -95.1 117.7 -11.3 3.1 5.5 95 102 A V E +DE 44 79B 0 -16,-3.2 -17,-2.6 -2,-0.6 -16,-1.4 -0.820 24.7 163.0 -93.7 124.0 -14.9 1.7 5.1 96 103 A Q E -D 43 0B 20 -53,-2.8 -53,-2.9 -2,-0.5 -19,-0.1 -0.797 45.3 -69.6-133.5 171.4 -15.8 -1.0 7.7 97 104 A D E -D 42 0B 77 -21,-0.3 2,-0.5 -2,-0.2 -55,-0.2 -0.440 53.2-116.4 -65.7 136.7 -19.0 -2.8 9.1 98 105 A L - 0 0 64 -57,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.664 30.8-163.9 -81.9 123.9 -21.2 -0.5 11.3 99 106 A M - 0 0 28 -2,-0.5 50,-0.2 1,-0.1 3,-0.1 -0.751 23.7-127.8-105.3 153.3 -21.5 -1.6 14.9 100 107 A E S S- 0 0 117 48,-0.6 2,-0.2 -2,-0.3 49,-0.2 0.886 78.0 -32.0 -66.7 -44.1 -24.1 -0.3 17.4 101 108 A T E -G 148 0C 31 47,-2.3 47,-3.0 45,-0.0 2,-0.2 -0.836 58.5-108.4-156.9-171.9 -21.7 0.8 20.2 102 109 A D E > -G 147 0C 18 45,-0.3 4,-1.6 -2,-0.2 45,-0.2 -0.791 35.5-105.6-125.9 169.0 -18.3 -0.0 21.9 103 110 A L H > S+ 0 0 0 43,-2.0 4,-2.4 40,-1.4 41,-0.2 0.783 117.2 61.0 -69.6 -25.7 -17.5 -1.5 25.4 104 111 A Y H > S+ 0 0 123 39,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.929 109.4 39.9 -63.8 -49.5 -16.4 2.0 26.6 105 112 A K H > S+ 0 0 100 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.818 115.1 53.8 -70.4 -33.2 -20.0 3.5 26.0 106 113 A L H >X S+ 0 0 16 -4,-1.6 4,-1.9 1,-0.2 3,-1.1 0.944 109.8 45.1 -66.8 -50.3 -21.7 0.3 27.3 107 114 A L H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.677 107.5 60.3 -68.6 -20.1 -19.8 0.2 30.7 108 115 A K H 3< S+ 0 0 76 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.638 124.0 18.3 -79.8 -18.2 -20.4 4.0 31.2 109 116 A T H << S+ 0 0 103 -3,-1.1 2,-0.4 -4,-0.5 -2,-0.2 0.402 118.6 62.3-130.8 -6.4 -24.3 3.5 31.1 110 117 A Q < - 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0 0 5 -4,-1.8 26,-0.2 26,-0.4 -1,-0.2 -0.237 47.8 -31.5 89.1 176.9 1.7 -5.6 46.3 222 244 A S S S- 0 0 46 24,-2.2 2,-0.1 1,-0.1 26,-0.1 -0.443 77.7-108.0 -64.8 134.6 5.5 -4.8 46.1 223 245 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.425 31.2-119.1 -71.0 148.4 7.1 -6.9 43.3 224 246 A S > - 0 0 64 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.114 31.8 -96.5 -73.4 175.5 9.5 -9.8 44.3 225 247 A Q H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.924 128.2 48.9 -60.2 -44.7 13.2 -10.1 43.3 226 248 A E H 4 S+ 0 0 59 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.768 109.9 52.4 -64.7 -33.2 12.2 -12.3 40.3 227 249 A D H 4 S+ 0 0 41 1,-0.2 -1,-0.2 46,-0.1 -2,-0.2 0.900 115.8 39.3 -69.7 -43.9 9.5 -9.8 39.2 228 250 A L H < S+ 0 0 14 -4,-2.1 2,-0.8 45,-0.1 -2,-0.2 0.763 96.7 92.2 -76.2 -30.7 12.0 -6.9 39.3 229 251 A N < + 0 0 62 -4,-2.2 2,-0.2 -5,-0.2 -1,-0.0 -0.626 63.1 89.3 -75.8 105.4 14.9 -9.0 37.8 230 252 A C S S- 0 0 84 -2,-0.8 2,-2.5 2,-0.0 -3,-0.0 -0.908 98.8 -57.9-173.0-179.1 14.7 -8.5 33.9 231 253 A I S S+ 0 0 120 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.497 82.7 166.0 -77.4 70.3 16.1 -6.1 31.2 232 254 A I - 0 0 56 -2,-2.5 2,-0.2 -4,-0.2 -55,-0.0 -0.573 44.8 -94.2 -94.6 151.8 14.4 -3.2 33.2 233 255 A N > - 0 0 95 -2,-0.2 4,-2.5 -54,-0.1 5,-0.1 -0.469 29.9-136.2 -63.9 130.3 14.9 0.6 32.9 234 256 A L H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.868 104.5 46.0 -59.3 -42.9 17.5 1.8 35.5 235 257 A K H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 114.4 47.8 -67.8 -44.3 15.4 4.8 36.6 236 258 A A H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.849 112.1 50.5 -64.0 -39.8 12.2 2.7 36.8 237 259 A R H X S+ 0 0 98 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.975 111.7 45.7 -62.1 -57.8 14.0 -0.1 38.9 238 260 A N H X S+ 0 0 88 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.783 112.0 54.2 -55.7 -36.4 15.5 2.4 41.4 239 261 A Y H X S+ 0 0 63 -4,-1.7 4,-1.3 2,-0.2 3,-0.2 0.955 110.0 44.1 -63.5 -54.7 12.1 4.2 41.8 240 262 A L H < S+ 0 0 27 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.790 114.1 52.1 -63.0 -30.4 10.1 0.9 42.6 241 263 A L H < S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.3 50.4 -73.5 -35.7 13.0 -0.1 45.0 242 264 A S H < S+ 0 0 91 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.715 91.9 97.8 -72.8 -26.8 12.8 3.3 46.8 243 265 A L S < S- 0 0 31 -4,-1.3 3,-0.1 1,-0.1 -3,-0.0 -0.307 83.1-107.6 -61.3 145.5 9.0 3.0 47.3 244 266 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.293 49.9 -73.3 -72.2 165.5 7.7 1.7 50.7 245 267 A H - 0 0 144 -23,-0.1 2,-0.4 -24,-0.0 -24,-0.0 -0.309 46.6-161.7 -60.8 135.4 6.2 -1.8 51.1 246 268 A K - 0 0 44 -3,-0.1 -24,-2.2 -29,-0.0 2,-0.2 -0.978 13.8-131.7-121.0 131.3 2.7 -2.3 49.6 247 269 A N - 0 0 124 -2,-0.4 2,-0.4 -26,-0.2 -26,-0.4 -0.533 25.6-106.0 -82.5 151.5 0.5 -5.3 50.6 248 270 A K - 0 0 151 -28,-0.2 -28,-0.2 -2,-0.2 -29,-0.1 -0.666 28.3-143.5 -79.9 124.8 -1.2 -7.5 48.1 249 271 A V - 0 0 45 -30,-2.9 5,-0.1 -2,-0.4 -1,-0.0 -0.826 23.0-121.3 -86.7 116.8 -5.0 -6.8 48.1 250 272 A P >> - 0 0 57 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.308 16.9-123.7 -59.8 144.8 -6.9 -10.2 47.5 251 273 A W H >> S+ 0 0 27 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.845 110.6 59.7 -59.0 -36.1 -9.1 -10.1 44.4 252 274 A N H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.686 100.3 57.5 -67.9 -17.6 -12.2 -11.0 46.5 253 275 A R H <4 S+ 0 0 196 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.829 111.3 41.3 -79.7 -32.8 -11.7 -7.8 48.5 254 276 A L H << S+ 0 0 66 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.1 0.844 132.2 23.1 -78.8 -42.3 -11.8 -5.6 45.3 255 277 A F < + 0 0 9 -4,-2.2 3,-0.3 1,-0.1 -1,-0.2 -0.682 67.1 161.8-125.0 71.9 -14.7 -7.5 43.6 256 278 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.796 80.3 53.4 -64.6 -22.8 -16.6 -9.2 46.6 257 279 A N S S+ 0 0 119 -3,-0.1 -5,-0.1 -59,-0.1 -2,-0.1 0.846 90.3 101.9 -72.9 -41.7 -19.6 -9.6 44.2 258 280 A A S S- 0 0 16 -3,-0.3 2,-0.1 1,-0.1 -3,-0.1 -0.011 83.0 -96.2 -55.2 148.0 -17.7 -11.4 41.4 259 281 A D > - 0 0 50 1,-0.1 4,-1.7 4,-0.0 3,-0.5 -0.431 28.3-129.9 -63.6 131.9 -17.6 -15.1 40.6 260 282 A S H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.776 110.2 53.9 -58.2 -30.1 -14.6 -16.9 42.2 261 283 A K H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.848 106.6 51.1 -72.3 -37.5 -13.8 -18.5 38.8 262 284 A A H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.851 111.4 48.8 -66.5 -36.3 -13.8 -15.0 37.1 263 285 A L H X S+ 0 0 15 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.856 107.4 53.7 -71.7 -40.4 -11.3 -13.8 39.8 264 286 A D H X S+ 0 0 69 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.922 112.4 44.8 -60.5 -45.5 -9.0 -16.8 39.5 265 287 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.913 111.9 52.7 -64.0 -44.7 -8.7 -16.1 35.7 266 288 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.852 107.8 51.8 -57.9 -40.7 -8.3 -12.3 36.5 267 289 A D H < S+ 0 0 63 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.898 110.6 47.5 -61.0 -46.0 -5.4 -13.2 38.9 268 290 A K H < S+ 0 0 79 -4,-1.7 10,-2.2 1,-0.2 3,-0.4 0.754 117.1 43.7 -68.6 -29.7 -3.7 -15.3 36.1 269 291 A M H < S+ 0 0 0 -4,-1.7 2,-1.0 1,-0.2 -2,-0.2 0.849 109.7 55.2 -83.1 -40.8 -4.1 -12.5 33.6 270 292 A L S < S+ 0 0 2 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.372 76.8 142.7 -93.0 57.0 -3.1 -9.6 35.9 271 293 A T - 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