==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-98 1JNK . COMPND 2 MOLECULE: C-JUN N-TERMINAL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.XIE,M.S.-S.SU . 346 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 63.0 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 . 46 13.3 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 28.6 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 2 0 0 1 0 1 0 1 0 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 1 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 . 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 45 A D 0 0 216 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.5 20.7 9.4 62.5 2 46 A N - 0 0 104 1,-0.1 16,-0.1 2,-0.1 0, 0.0 -0.416 360.0-139.7 -67.9 138.7 21.2 11.7 59.5 3 47 A Q S S+ 0 0 121 -2,-0.1 15,-2.3 14,-0.1 16,-0.2 0.668 82.2 56.2 -72.9 -15.6 19.0 10.9 56.5 4 48 A F E -A 17 0A 19 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.635 60.1-169.9-116.0 169.5 21.9 11.6 54.1 5 49 A Y E -A 16 0A 62 11,-1.9 11,-1.3 -2,-0.2 2,-0.5 -0.955 17.2-127.1-151.0 162.8 25.4 10.5 53.5 6 50 A S E +A 15 0A 65 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.958 22.5 172.4-128.7 125.2 28.4 11.6 51.4 7 51 A V E -A 14 0A 50 7,-2.4 7,-2.9 -2,-0.5 2,-0.8 -0.892 34.3-118.7-123.1 147.4 30.5 9.8 48.9 8 52 A E E -A 13 0A 149 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.812 32.0-175.7 -91.0 112.5 33.2 11.1 46.6 9 53 A V E > -A 12 0A 11 3,-1.7 2,-2.2 -2,-0.8 3,-1.9 -0.942 61.5 -42.8-111.6 117.5 32.2 10.4 43.0 10 54 A G T 3 S- 0 0 79 -2,-0.6 -2,-0.1 1,-0.3 3,-0.1 -0.396 123.7 -31.3 70.1 -77.9 34.7 11.3 40.2 11 55 A D T 3 S+ 0 0 173 -2,-2.2 -1,-0.3 0, 0.0 2,-0.2 0.303 126.1 74.3-147.6 -17.0 35.8 14.8 41.5 12 56 A S E < S-A 9 0A 24 -3,-1.9 -3,-1.7 -5,-0.0 2,-0.5 -0.480 77.7-116.7-100.4 172.6 32.6 15.9 43.2 13 57 A T E -A 8 0A 61 -5,-0.2 2,-0.6 -2,-0.2 -5,-0.2 -0.959 21.7-154.9-115.9 118.2 30.9 14.9 46.5 14 58 A F E -A 7 0A 0 -7,-2.9 -7,-2.4 -2,-0.5 2,-0.7 -0.843 6.4-169.5 -94.2 121.2 27.5 13.3 46.2 15 59 A T E +A 6 0A 31 -2,-0.6 -9,-0.2 -9,-0.2 2,-0.2 -0.898 24.9 162.9-112.4 96.8 25.3 13.7 49.3 16 60 A V E -A 5 0A 0 -11,-1.3 -11,-1.9 -2,-0.7 71,-0.0 -0.709 43.5 -84.2-114.4 165.8 22.4 11.4 48.8 17 61 A L E > -A 4 0A 30 -2,-0.2 3,-1.7 -13,-0.2 -13,-0.2 -0.307 44.3-111.9 -62.7 150.7 19.6 9.8 50.9 18 62 A K T 3 S+ 0 0 108 -15,-2.3 22,-0.1 1,-0.3 -1,-0.1 0.706 113.0 68.9 -58.3 -25.7 20.6 6.6 52.7 19 63 A R T 3 S+ 0 0 58 -16,-0.2 21,-2.4 1,-0.1 2,-0.9 0.757 83.9 82.9 -66.8 -24.3 18.2 4.5 50.5 20 64 A Y E < -B 39 0B 1 -3,-1.7 2,-0.3 19,-0.2 19,-0.2 -0.734 68.1-176.4 -89.2 104.6 20.6 5.2 47.5 21 65 A Q E +B 38 0B 77 17,-3.0 17,-3.0 -2,-0.9 -2,-0.0 -0.733 45.2 9.0-105.4 151.7 23.4 2.7 47.6 22 66 A N E - 0 0 138 -2,-0.3 2,-0.5 15,-0.2 16,-0.2 0.961 68.8-148.3 48.6 93.3 26.6 2.2 45.6 23 67 A L E - 0 0 23 14,-0.1 14,-0.2 -3,-0.1 -1,-0.1 -0.754 15.8-175.9 -94.2 128.1 27.0 5.1 43.2 24 68 A K E -B 36 0B 144 12,-2.3 12,-3.1 -2,-0.5 2,-0.4 -0.989 30.0-121.5-123.1 122.7 28.7 4.5 39.9 25 69 A P E +B 35 0B 78 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.518 43.5 158.7 -65.3 116.9 29.4 7.5 37.6 26 70 A I E + 0 0 88 8,-2.1 2,-0.3 -2,-0.4 9,-0.2 0.697 57.6 10.5-110.1 -31.3 27.5 6.8 34.4 27 71 A G E -B 34 0B 29 7,-2.4 7,-2.1 9,-0.0 2,-0.3 -0.924 50.8-164.5-146.8 168.9 27.1 10.3 32.8 28 72 A S E +B 33 0B 100 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.973 16.3 161.6-154.7 143.5 28.1 13.9 32.9 29 73 A G - 0 0 53 3,-1.6 4,-0.0 -2,-0.3 146,-0.0 -0.395 52.1 -81.0-137.8-146.6 26.7 17.0 31.3 30 74 A A S S+ 0 0 71 -2,-0.1 3,-0.1 143,-0.0 145,-0.1 0.746 124.5 36.1 -99.1 -35.5 26.6 20.8 31.6 31 75 A Q S S- 0 0 32 1,-0.2 21,-0.5 20,-0.1 2,-0.3 0.571 126.1 -17.2 -96.2 -9.4 24.1 21.1 34.3 32 76 A G E - C 0 51B 10 19,-0.2 -3,-1.6 2,-0.0 2,-0.4 -0.962 57.7 -97.4 175.7 163.7 25.1 18.0 36.4 33 77 A I E -BC 28 50B 55 17,-0.9 17,-2.6 -2,-0.3 2,-0.5 -0.806 34.4-146.0 -97.8 133.4 26.8 14.7 37.0 34 78 A V E -BC 27 49B 27 -7,-2.1 -7,-2.4 -2,-0.4 -8,-2.1 -0.896 16.3-176.3-107.4 126.7 24.7 11.5 36.6 35 79 A C E -BC 25 48B 0 13,-3.1 13,-3.3 -2,-0.5 2,-0.3 -0.877 21.0-133.9-117.9 147.9 25.3 8.4 38.8 36 80 A A E +BC 24 47B 11 -12,-3.1 -12,-2.3 -2,-0.3 2,-0.3 -0.805 36.7 168.7 -95.9 145.6 23.7 5.0 38.7 37 81 A A E - C 0 46B 1 9,-3.1 9,-3.3 -2,-0.3 2,-0.4 -0.980 36.4-109.2-154.8 166.2 22.6 3.6 42.1 38 82 A Y E -BC 21 45B 70 -17,-3.0 -17,-3.0 -2,-0.3 2,-0.7 -0.818 24.0-149.2 -98.6 135.6 20.6 1.0 44.0 39 83 A D E >> -BC 20 44B 1 5,-2.9 4,-2.1 -2,-0.4 5,-1.2 -0.870 7.9-168.9-110.0 102.0 17.4 2.1 45.8 40 84 A A T 45S+ 0 0 40 -21,-2.4 -1,-0.2 -2,-0.7 -20,-0.1 0.892 84.5 51.7 -54.0 -47.0 16.9 -0.1 48.9 41 85 A V T 45S+ 0 0 100 1,-0.2 -1,-0.2 -22,-0.1 -21,-0.0 0.937 119.6 32.8 -59.3 -51.3 13.3 1.1 49.5 42 86 A L T 45S- 0 0 76 2,-0.2 -1,-0.2 -23,-0.1 -2,-0.2 0.655 103.4-131.9 -82.0 -14.7 12.0 0.5 46.0 43 87 A D T <5S+ 0 0 116 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.981 70.9 87.0 60.0 60.0 14.3 -2.5 45.5 44 88 A R E S- 0 0 91 43,-0.7 3,-1.7 -2,-0.7 -1,-0.3 0.920 73.7-177.6 49.6 61.8 24.0 25.2 42.3 54 98 A P G > S+ 0 0 7 0, 0.0 3,-0.7 0, 0.0 10,-0.2 0.776 76.0 59.2 -57.9 -32.7 21.2 25.3 39.5 55 99 A F G 3 S+ 0 0 0 41,-0.3 284,-0.2 1,-0.2 283,-0.2 0.419 71.9 103.0 -80.9 1.9 20.3 28.9 40.4 56 100 A Q G < S+ 0 0 108 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 0.742 93.2 13.5 -59.0 -25.5 23.8 30.3 39.8 57 101 A N S <> S- 0 0 37 -3,-0.7 4,-2.4 -4,-0.1 5,-0.2 -0.993 76.7-114.9-150.7 151.8 22.5 31.7 36.4 58 102 A Q H > S+ 0 0 100 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.741 112.5 51.9 -56.8 -28.8 19.2 32.4 34.7 59 103 A T H > S+ 0 0 43 111,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.986 116.0 38.6 -71.9 -58.7 19.8 29.8 31.9 60 104 A H H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.802 118.6 52.3 -59.5 -28.5 20.6 26.9 34.2 61 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 109.6 45.8 -75.8 -43.3 17.9 28.2 36.5 62 106 A K H X S+ 0 0 25 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.905 115.4 50.0 -65.9 -40.4 15.2 28.3 33.9 63 107 A R H X S+ 0 0 63 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.955 112.7 43.9 -61.2 -57.2 16.3 24.9 32.7 64 108 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 115.0 48.6 -56.3 -49.3 16.3 23.2 36.2 65 109 A Y H X S+ 0 0 26 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.876 113.6 47.0 -61.4 -41.6 13.0 24.8 37.2 66 110 A R H X S+ 0 0 17 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.886 112.3 47.2 -69.4 -44.4 11.3 23.8 33.9 67 111 A E H X S+ 0 0 8 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.907 111.3 53.7 -62.7 -41.0 12.5 20.2 33.8 68 112 A L H < S+ 0 0 3 -4,-2.1 4,-0.4 -5,-0.3 -2,-0.2 0.875 111.3 44.6 -61.3 -42.2 11.5 19.8 37.5 69 113 A V H X S+ 0 0 29 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.863 119.4 41.3 -73.1 -36.5 7.9 21.0 36.8 70 114 A L H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.883 104.4 61.3 -82.1 -38.0 7.5 18.9 33.7 71 115 A M H < S+ 0 0 11 -4,-3.3 11,-1.0 1,-0.2 -1,-0.2 0.706 111.9 45.1 -62.6 -14.6 9.1 15.7 34.8 72 116 A K H 4 S+ 0 0 70 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.834 120.5 34.6 -94.4 -42.1 6.4 15.7 37.4 73 117 A C H < S+ 0 0 58 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.942 100.0 80.1 -81.2 -49.0 3.4 16.6 35.3 74 118 A V < - 0 0 8 -4,-2.5 2,-0.4 -5,-0.1 62,-0.0 -0.384 58.9-173.2 -63.1 133.1 4.2 14.8 32.0 75 119 A N + 0 0 130 248,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.761 26.1 128.1-134.2 87.4 3.3 11.1 32.2 76 120 A H > - 0 0 12 3,-0.4 3,-1.8 -2,-0.4 243,-0.1 -0.999 58.9-126.7-143.1 146.5 4.4 9.0 29.2 77 121 A K T 3 S+ 0 0 105 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.642 110.8 50.7 -66.0 -15.3 6.4 5.8 28.7 78 122 A N T 3 S+ 0 0 2 241,-0.1 83,-1.9 82,-0.1 2,-0.4 0.278 99.2 72.5-106.6 10.6 8.7 7.5 26.2 79 123 A I B < S-f 161 0C 4 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -0.988 96.0-103.1-126.4 120.7 9.6 10.5 28.4 80 124 A I - 0 0 4 81,-2.2 2,-0.3 -2,-0.4 -4,-0.1 0.001 37.0-138.5 -44.6 132.7 11.8 9.9 31.4 81 125 A S - 0 0 31 -4,-0.1 22,-0.8 -6,-0.1 2,-0.5 -0.767 5.2-130.3 -99.4 147.5 10.0 9.8 34.7 82 126 A L E +E 102 0B 30 -11,-1.0 20,-0.2 -2,-0.3 3,-0.1 -0.819 22.4 179.2 -96.2 129.2 11.0 11.4 38.0 83 127 A L E - 0 0 59 18,-3.4 2,-0.3 -2,-0.5 19,-0.2 0.820 65.3 -2.6 -97.5 -38.0 10.9 9.1 41.0 84 128 A N E -E 101 0B 45 17,-1.2 17,-2.0 2,-0.0 2,-0.4 -0.995 54.8-157.6-157.0 145.2 12.2 11.3 43.8 85 129 A V E +E 100 0B 26 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.972 25.2 154.4-125.5 143.8 13.5 14.8 44.3 86 130 A F E -E 99 0B 9 13,-1.4 13,-2.2 -2,-0.4 261,-0.1 -0.995 30.5-154.0-167.0 159.8 15.6 16.0 47.2 87 131 A T - 0 0 6 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.994 17.6-145.2-136.8 132.1 18.2 18.4 48.6 88 132 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -84,-0.1 0.642 76.7 94.4 -72.0 -14.7 20.5 17.6 51.5 89 133 A Q - 0 0 36 8,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.628 64.5-152.5 -84.7 138.3 20.3 21.3 52.7 90 134 A K + 0 0 134 -2,-0.3 2,-0.3 4,-0.0 -1,-0.1 0.730 70.0 37.9 -80.5 -31.2 17.7 22.1 55.4 91 135 A T S > S- 0 0 51 1,-0.1 4,-1.9 0, 0.0 3,-0.3 -0.869 78.3-114.9-124.7 163.9 16.9 25.7 54.8 92 136 A L T 4 S+ 0 0 45 -2,-0.3 -1,-0.1 1,-0.2 251,-0.1 0.811 117.9 53.7 -61.6 -29.9 16.4 28.1 51.8 93 137 A E T 4 S+ 0 0 152 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.847 112.9 40.5 -74.1 -35.7 19.5 29.9 53.0 94 138 A E T 4 S+ 0 0 113 -3,-0.3 -2,-0.2 2,-0.0 -1,-0.2 0.708 88.0 127.1 -83.7 -22.1 21.7 26.8 53.1 95 139 A F < + 0 0 1 -4,-1.9 3,-0.1 1,-0.2 -3,-0.0 -0.050 15.0 138.5 -41.8 122.2 20.2 25.5 49.8 96 140 A Q + 0 0 81 1,-0.3 -43,-0.7 -42,-0.0 -41,-0.3 0.568 53.7 41.0-132.5 -54.2 22.9 24.6 47.2 97 141 A D E -D 52 0B 15 -45,-0.2 2,-0.4 -44,-0.2 -1,-0.3 -0.661 50.4-157.1-111.9 161.0 22.1 21.4 45.3 98 142 A V E -D 51 0B 1 -47,-1.4 -47,-2.9 -2,-0.2 2,-0.5 -0.983 10.8-152.9-131.8 140.1 19.2 19.5 43.8 99 143 A Y E -DE 50 86B 0 -13,-2.2 -13,-1.4 -2,-0.4 2,-0.5 -0.970 3.6-161.5-121.5 116.3 19.1 15.7 43.2 100 144 A L E -DE 49 85B 4 -51,-2.8 -51,-3.1 -2,-0.5 2,-0.5 -0.867 7.0-163.2 -98.1 124.9 16.9 14.3 40.4 101 145 A V E +DE 48 84B 0 -17,-2.0 -18,-3.4 -2,-0.5 -17,-1.2 -0.952 18.8 162.7-111.1 122.6 16.2 10.6 40.8 102 146 A M E -DE 47 82B 16 -55,-3.3 -55,-3.3 -2,-0.5 -20,-0.2 -0.869 45.3 -76.9-132.3 169.6 14.9 8.7 37.7 103 147 A E E -D 46 0B 33 -22,-0.8 2,-0.4 -2,-0.3 -57,-0.2 -0.346 55.2-111.2 -65.6 145.3 14.6 5.2 36.4 104 148 A L - 0 0 43 -59,-0.9 2,-0.2 -67,-0.1 -1,-0.1 -0.713 32.7-171.2 -89.0 128.0 17.8 3.7 35.2 105 149 A M - 0 0 18 -2,-0.4 49,-0.2 49,-0.1 3,-0.1 -0.662 26.7-124.3-106.3 167.7 18.3 3.1 31.5 106 150 A D S S- 0 0 91 47,-1.1 2,-0.3 -2,-0.2 48,-0.2 0.763 70.9 -22.2 -91.0 -23.1 21.3 1.2 30.0 107 151 A A E -G 153 0C 22 46,-2.0 46,-2.5 3,-0.0 -1,-0.2 -0.981 60.1 -81.8-169.1-179.2 22.7 3.7 27.5 108 152 A N E > -G 152 0C 42 -2,-0.3 4,-0.8 44,-0.2 3,-0.3 -0.384 36.5-118.5 -89.3 167.9 22.7 6.7 25.2 109 153 A L H > S+ 0 0 0 39,-1.6 4,-1.6 42,-1.1 40,-0.2 0.709 115.8 66.6 -81.2 -14.7 21.5 6.9 21.6 110 154 A C H > S+ 0 0 49 38,-0.3 4,-0.8 41,-0.2 -1,-0.2 0.795 100.8 46.8 -71.5 -31.6 25.1 7.8 20.9 111 155 A Q H 4 S+ 0 0 104 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.748 111.6 50.6 -80.3 -27.6 26.1 4.2 21.9 112 156 A V H >< S+ 0 0 13 -4,-0.8 3,-1.2 1,-0.2 -2,-0.2 0.777 104.0 59.4 -80.1 -26.2 23.3 2.8 19.8 113 157 A I H 3< S+ 0 0 8 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 95.1 64.3 -71.1 -31.8 24.5 4.9 16.8 114 158 A Q T 3< S+ 0 0 158 -4,-0.8 2,-0.3 -5,-0.1 -1,-0.3 0.364 100.4 65.8 -73.3 4.5 27.9 3.1 17.0 115 159 A M S < S- 0 0 94 -3,-1.2 2,-0.7 93,-0.0 96,-0.1 -0.902 89.7-104.8-129.7 157.4 26.3 -0.2 16.1 116 160 A E - 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0 0 123 -54,-0.4 4,-3.7 -55,-0.3 3,-1.5 -0.450 40.8-112.8 -66.9 142.0 14.5 37.7 7.9 244 292 A P H 3> S+ 0 0 83 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.700 117.2 48.3 -50.0 -27.8 15.9 40.3 5.4 245 293 A T H 3> S+ 0 0 117 2,-0.2 4,-0.7 3,-0.1 -2,-0.0 0.711 119.5 38.7 -86.4 -23.3 19.4 40.2 7.0 246 294 A V H <> S+ 0 0 39 -3,-1.5 4,-2.2 2,-0.2 5,-0.2 0.831 110.9 58.7 -88.6 -39.6 19.4 36.4 7.0 247 295 A R H X S+ 0 0 76 -4,-3.7 4,-2.8 1,-0.2 5,-0.3 0.872 104.2 53.3 -56.1 -42.9 17.7 36.1 3.6 248 296 A N H X S+ 0 0 93 -4,-0.9 4,-2.4 -5,-0.3 -1,-0.2 0.949 109.2 48.3 -58.4 -53.0 20.6 38.2 2.1 249 297 A Y H < S+ 0 0 59 -4,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.839 116.3 41.3 -56.6 -45.5 23.1 35.8 3.6 250 298 A V H >< S+ 0 0 6 -4,-2.2 3,-1.5 2,-0.2 -2,-0.2 0.924 115.4 49.1 -72.8 -45.7 21.4 32.6 2.4 251 299 A E H 3< S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.901 112.2 48.3 -63.7 -37.8 20.5 33.9 -1.1 252 300 A N T 3< S+ 0 0 107 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.322 91.0 107.7 -87.6 12.6 24.0 35.2 -1.7 253 301 A R S < S- 0 0 81 -3,-1.5 -3,-0.0 1,-0.1 -20,-0.0 -0.698 88.9 -82.2 -91.1 140.3 25.5 31.9 -0.6 254 302 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.080 55.1-119.1 -42.1 126.0 27.0 29.5 -3.3 255 303 A K - 0 0 172 -3,-0.1 2,-0.3 -23,-0.1 -4,-0.0 -0.387 28.1-171.6 -76.9 150.1 24.3 27.5 -4.9 256 304 A Y - 0 0 103 1,-0.1 -23,-2.0 -2,-0.1 -26,-0.1 -0.993 21.8-155.2-138.8 139.1 23.9 23.7 -4.9 257 305 A A - 0 0 107 -2,-0.3 -1,-0.1 -25,-0.2 -28,-0.1 0.852 51.5-132.7 -81.0 -37.3 21.4 21.5 -6.8 258 306 A G - 0 0 30 -29,-0.1 -27,-0.2 -26,-0.1 2,-0.1 0.109 6.6 -87.2 100.1 149.3 21.8 18.8 -4.1 259 307 A L - 0 0 92 -29,-2.0 2,-0.3 -30,-0.1 -29,-0.0 -0.446 41.1-117.9 -84.5 159.3 22.3 15.0 -3.9 260 308 A T >> - 0 0 85 -2,-0.1 4,-2.0 1,-0.1 3,-1.1 -0.680 26.3-108.9 -95.9 159.0 19.4 12.5 -3.9 261 309 A F H 3> S+ 0 0 38 1,-0.3 4,-3.1 -2,-0.3 -1,-0.1 0.799 116.4 57.3 -59.2 -35.7 18.6 10.2 -1.0 262 310 A P H 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 0.830 113.5 44.4 -67.0 -22.1 19.8 7.0 -2.6 263 311 A K H <4 S+ 0 0 165 -3,-1.1 -2,-0.2 2,-0.1 -4,-0.0 0.844 116.1 44.5 -82.7 -41.4 23.1 8.8 -3.0 264 312 A L H < S+ 0 0 9 -4,-2.0 -3,-0.2 1,-0.3 -1,-0.1 0.899 132.1 23.1 -68.6 -44.2 23.1 10.3 0.6 265 313 A F S < S- 0 0 2 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.745 88.2-172.3-126.9 79.5 22.0 7.0 2.1 266 314 A P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.065 40.9-101.1 -65.3 171.8 23.0 4.2 -0.3 267 315 A D T 3 S+ 0 0 91 1,-0.2 3,-0.4 2,-0.2 5,-0.2 0.623 114.7 75.9 -70.9 -12.6 21.9 0.5 -0.0 268 316 A S T 3 S+ 0 0 115 1,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.790 95.2 48.1 -69.0 -27.8 25.4 -0.2 1.4 269 317 A L S < S+ 0 0 57 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.579 106.1 68.3 -87.2 -16.1 24.4 1.3 4.7 270 318 A F S S- 0 0 9 -3,-0.4 2,-1.0 -4,-0.4 -152,-0.1 -0.832 92.7-110.9-106.9 144.7 21.1 -0.6 4.9 271 319 A P + 0 0 44 0, 0.0 10,-0.2 0, 0.0 -152,-0.1 -0.652 48.2 162.3 -75.1 105.6 20.8 -4.3 5.5 272 320 A A + 0 0 32 -2,-1.0 6,-0.1 -5,-0.2 -2,-0.0 -0.436 35.3 105.5-123.1 55.8 19.5 -5.3 2.0 273 321 A D S S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.862 73.7 50.9 -95.4 -53.8 20.1 -9.1 1.9 274 322 A S S > S- 0 0 53 1,-0.1 4,-0.9 -3,-0.1 5,-0.1 -0.211 88.0-116.7 -78.3 170.9 16.6 -10.4 2.4 275 323 A E H > S+ 0 0 147 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.825 118.8 55.0 -77.8 -29.9 13.6 -9.4 0.4 276 324 A H H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 108.9 47.6 -66.3 -41.4 12.1 -8.1 3.6 277 325 A N H > S+ 0 0 34 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.716 106.8 57.3 -72.8 -22.8 15.2 -5.9 4.2 278 326 A K H X S+ 0 0 95 -4,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.915 111.2 41.6 -74.6 -44.4 15.2 -4.7 0.6 279 327 A L H >X S+ 0 0 103 -4,-1.8 4,-2.3 1,-0.2 3,-0.9 0.935 115.9 49.4 -68.6 -45.2 11.7 -3.3 0.9 280 328 A K H 3X S+ 0 0 30 -4,-2.2 4,-2.9 1,-0.3 -1,-0.2 0.846 106.1 57.8 -62.3 -34.0 12.4 -1.9 4.4 281 329 A A H 3X S+ 0 0 1 -4,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.731 109.0 45.2 -69.0 -23.4 15.6 -0.2 3.2 282 330 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.6 0.950 112.1 47.4 -59.6 -48.7 13.5 3.8 5.6 285 333 A R H 3X S+ 0 0 31 -4,-1.1 4,-2.4 1,-0.3 -1,-0.2 0.832 108.5 56.0 -63.3 -33.0 15.1 6.0 2.9 286 334 A D H 3X S+ 0 0 62 -4,-2.2 4,-0.6 2,-0.2 -1,-0.3 0.821 108.0 47.5 -69.7 -33.7 11.7 7.3 2.0 287 335 A L H XX S+ 0 0 0 -4,-1.6 3,-1.1 -3,-0.6 4,-1.0 0.926 110.1 51.9 -71.8 -48.5 11.0 8.5 5.6 288 336 A L H >X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 3,-1.8 0.953 106.1 55.4 -51.5 -47.6 14.4 10.1 5.7 289 337 A S H 3< S+ 0 0 35 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.740 111.1 45.6 -59.5 -24.2 13.6 11.9 2.5 290 338 A K H << S+ 0 0 87 -3,-1.1 10,-2.2 -4,-0.6 -1,-0.3 0.545 116.7 42.9 -96.6 -8.8 10.5 13.3 4.1 291 339 A M H << S+ 0 0 0 -3,-1.8 2,-1.7 -4,-1.0 -2,-0.2 0.796 104.2 61.5-102.1 -39.9 12.1 14.3 7.4 292 340 A L S < S+ 0 0 4 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 -0.508 73.9 129.9 -88.7 64.2 15.3 15.9 6.1 293 341 A V - 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