==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-MAY-13 4KIQ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK,J.S.TOKARSKI . 1352 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 835 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 84 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 375 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.5 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 9 6 0 2 0 2 4 1 3 4 0 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 4 8 0 4 8 4 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 . 4 0 4 4 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 4 A E 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.1 -5.3 -8.9 -29.7 2 5 A R - 0 0 95 1,-0.1 3,-0.1 89,-0.0 89,-0.0 -0.489 360.0-120.7 -64.8 125.6 -6.8 -6.6 -27.0 3 6 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.134 28.1 -95.2 -65.9 165.5 -8.8 -8.6 -24.4 4 7 A T - 0 0 89 1,-0.0 15,-2.5 2,-0.0 2,-0.2 -0.735 44.1-153.3 -85.0 129.0 -12.5 -8.1 -23.7 5 8 A F E -A 18 0A 25 -2,-0.4 2,-0.3 13,-0.3 11,-0.1 -0.619 7.0-157.9 -99.2 158.6 -13.0 -5.8 -20.7 6 9 A Y E -A 17 0A 49 11,-1.9 11,-1.6 -2,-0.2 2,-0.3 -0.997 12.0-132.5-141.7 142.2 -15.9 -5.6 -18.2 7 10 A R E +A 16 0A 162 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.708 29.1 164.3 -93.9 144.7 -17.1 -2.8 -15.9 8 11 A Q E -A 15 0A 62 7,-1.0 7,-3.2 -2,-0.3 2,-0.5 -0.946 33.0-124.4-155.6 141.0 -18.0 -3.4 -12.2 9 12 A E E +A 14 0A 126 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.828 34.1 165.4 -97.1 128.2 -18.5 -1.0 -9.2 10 13 A L E > -A 13 0A 19 3,-2.9 3,-1.1 -2,-0.5 -2,-0.1 -0.976 70.0 -7.7-141.7 124.4 -16.3 -1.6 -6.1 11 14 A N T 3 S- 0 0 111 -2,-0.3 3,-0.1 1,-0.3 23,-0.0 0.828 128.9 -55.8 54.0 42.6 -15.9 0.9 -3.2 12 15 A K T 3 S+ 0 0 191 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.695 120.2 103.7 64.9 25.6 -17.8 3.6 -5.2 13 16 A T E < S-A 10 0A 45 -3,-1.1 -3,-2.9 2,-0.0 2,-0.3 -0.991 73.2-119.4-136.7 143.1 -15.4 3.3 -8.1 14 17 A I E -A 9 0A 63 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.655 23.3-159.2 -78.1 134.7 -15.8 1.6 -11.5 15 18 A W E -A 8 0A 1 -7,-3.2 -7,-1.0 -2,-0.3 2,-0.6 -0.984 6.6-172.4-117.4 117.5 -13.2 -1.2 -12.2 16 19 A E E +A 7 0A 45 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.939 21.9 156.1-114.7 104.0 -12.7 -2.0 -15.8 17 20 A V E -A 6 0A 0 -11,-1.6 -11,-1.9 -2,-0.6 -2,-0.0 -0.897 47.2 -87.8-125.6 156.8 -10.5 -5.1 -16.2 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.4 0, 0.0 -13,-0.3 -0.222 42.6-112.3 -57.9 156.1 -9.9 -7.9 -18.8 19 22 A E T 3 S+ 0 0 102 -15,-2.5 22,-0.1 1,-0.2 -14,-0.1 0.692 110.3 77.1 -64.9 -19.6 -12.3 -10.9 -18.5 20 23 A R T 3 S+ 0 0 60 -16,-0.2 21,-3.2 20,-0.1 2,-0.7 0.758 83.5 71.7 -60.3 -29.4 -9.2 -13.1 -17.4 21 24 A Y E < S+B 40 0B 0 -3,-1.4 2,-0.2 19,-0.2 19,-0.2 -0.841 74.0 179.3 -94.8 107.5 -9.4 -11.5 -13.9 22 25 A Q E +B 39 0B 67 17,-3.1 17,-3.1 -2,-0.7 -2,-0.0 -0.710 46.2 22.0-109.6 162.6 -12.5 -12.9 -12.2 23 26 A N E - 0 0 113 -2,-0.2 2,-0.2 15,-0.2 -1,-0.2 0.895 69.6-157.3 51.5 59.2 -14.2 -12.4 -8.8 24 27 A L E - 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.474 14.7-179.9 -66.5 127.3 -12.8 -9.1 -7.7 25 28 A S E -B 37 0B 57 12,-2.2 12,-3.2 -2,-0.2 -15,-0.0 -0.983 29.4-117.6-131.4 117.2 -13.0 -8.7 -3.9 26 29 A P E +B 36 0B 53 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.299 29.6 176.1 -57.9 133.0 -11.7 -5.6 -2.1 27 30 A V E - 0 0 89 8,-2.8 2,-0.3 1,-0.5 9,-0.2 0.430 55.3 -91.2-114.4 -2.5 -8.8 -6.2 0.3 28 31 A G E -B 35 0B 37 7,-1.0 7,-3.1 2,-0.0 -1,-0.5 -0.845 53.4 -49.3 126.6-165.6 -8.3 -2.4 1.1 29 32 A S E +B 34 0B 110 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.938 50.3 177.6-111.0 128.2 -6.3 0.6 -0.1 30 33 A G - 0 0 18 3,-2.2 135,-0.1 -2,-0.5 -2,-0.0 -0.880 56.0 -25.8-141.8 109.4 -2.6 0.2 -0.6 31 34 A A S S- 0 0 28 -2,-0.3 -1,-0.1 1,-0.1 134,-0.1 0.983 126.3 -21.3 50.9 89.6 -0.2 2.9 -1.9 32 35 A Y S S+ 0 0 84 20,-0.1 21,-2.6 -3,-0.1 2,-0.2 0.731 131.0 29.6 60.3 36.2 -2.0 5.5 -4.1 33 36 A G E S- C 0 52B 13 19,-0.3 -3,-2.2 21,-0.0 19,-0.2 -0.859 87.3 -81.8 163.0 162.5 -5.1 3.3 -5.0 34 37 A S E -BC 29 51B 25 17,-0.8 17,-2.1 -5,-0.3 2,-0.4 -0.532 36.6-141.1 -89.3 158.7 -7.3 0.5 -3.9 35 38 A V E -BC 28 50B 26 -7,-3.1 -8,-2.8 15,-0.2 -7,-1.0 -0.956 11.9-166.9-122.0 136.1 -6.5 -3.2 -4.2 36 39 A C E -BC 26 49B 0 13,-2.9 13,-3.1 -2,-0.4 2,-0.3 -0.936 20.0-130.5-120.7 145.4 -8.7 -6.2 -5.1 37 40 A A E +BC 25 48B 1 -12,-3.2 -12,-2.2 -2,-0.4 2,-0.3 -0.710 38.7 174.8 -87.5 141.5 -8.1 -9.9 -4.8 38 41 A A E - C 0 47B 0 9,-2.6 9,-2.9 -2,-0.3 2,-0.5 -0.969 34.6-118.1-147.4 164.8 -8.9 -11.7 -8.0 39 42 A F E -BC 22 46B 76 -17,-3.1 -17,-3.1 -2,-0.3 2,-0.9 -0.931 24.5-143.8-107.1 120.3 -8.8 -15.1 -9.7 40 43 A D E >> -B 21 0B 4 5,-3.0 4,-3.2 -2,-0.5 3,-0.8 -0.798 8.4-164.8 -88.3 104.6 -6.6 -15.2 -12.8 41 44 A T T 34 S+ 0 0 80 -21,-3.2 -1,-0.1 -2,-0.9 -20,-0.1 0.545 86.3 60.9 -66.5 -9.4 -8.4 -17.6 -15.2 42 45 A K T 34 S+ 0 0 151 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.793 123.2 16.1 -85.1 -32.5 -5.2 -17.8 -17.3 43 46 A T T <4 S- 0 0 78 -3,-0.8 -2,-0.2 2,-0.2 3,-0.1 0.625 93.3-125.5-113.5 -24.2 -3.0 -19.2 -14.5 44 47 A G S < S+ 0 0 38 -4,-3.2 2,-0.2 1,-0.3 -3,-0.2 0.492 71.3 124.1 84.4 5.9 -5.6 -20.5 -11.9 45 48 A L - 0 0 97 -5,-0.5 -5,-3.0 -6,-0.0 2,-0.5 -0.504 67.6-109.6 -99.2 162.7 -3.8 -18.4 -9.3 46 49 A R E -C 39 0B 124 -7,-0.2 59,-1.4 -2,-0.2 60,-0.4 -0.819 40.5-172.0 -93.5 128.1 -5.0 -15.7 -6.9 47 50 A V E -CD 38 104B 0 -9,-2.9 -9,-2.6 -2,-0.5 2,-0.5 -0.821 24.4-129.5-120.0 160.5 -3.8 -12.2 -7.8 48 51 A A E -CD 37 103B 12 55,-2.9 55,-2.5 -2,-0.3 2,-0.5 -0.938 25.2-164.9-108.6 127.3 -3.8 -8.7 -6.3 49 52 A V E -CD 36 102B 0 -13,-3.1 -13,-2.9 -2,-0.5 2,-0.5 -0.979 0.2-162.0-115.6 129.0 -5.1 -6.0 -8.7 50 53 A K E -CD 35 101B 16 51,-3.0 51,-2.2 -2,-0.5 2,-0.6 -0.952 7.5-157.8-115.0 129.0 -4.5 -2.3 -7.9 51 54 A K E -CD 34 100B 27 -17,-2.1 -17,-0.8 -2,-0.5 49,-0.2 -0.908 25.5-131.5 -98.7 115.9 -6.4 0.5 -9.6 52 55 A L E -C 33 0B 5 47,-2.5 2,-0.6 -2,-0.6 47,-0.3 -0.423 20.9-117.0 -69.0 142.1 -4.3 3.7 -9.3 53 56 A S S S- 0 0 64 -21,-2.6 4,-0.1 1,-0.2 -1,-0.1 -0.771 80.2 -30.8 -87.7 116.4 -6.2 6.7 -8.1 54 57 A R S > S- 0 0 165 -2,-0.6 3,-1.4 1,-0.1 4,-0.4 0.914 75.6-172.5 44.1 59.6 -6.4 9.6 -10.6 55 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.3 0, 0.0 9,-0.1 0.811 78.8 28.9 -55.7 -31.2 -3.0 8.6 -12.1 56 59 A F T 3 S+ 0 0 18 41,-0.4 -2,-0.1 1,-0.1 269,-0.1 0.075 85.6 110.6-120.0 25.9 -2.7 11.7 -14.4 57 60 A Q S < S+ 0 0 106 -3,-1.4 2,-0.2 -4,-0.1 -1,-0.1 0.943 89.8 2.5 -60.6 -54.3 -4.7 14.3 -12.4 58 61 A S S > S- 0 0 39 -4,-0.4 4,-1.5 -3,-0.1 5,-0.1 -0.559 81.2 -98.8-121.7-173.2 -1.7 16.4 -11.5 59 62 A I H > S+ 0 0 84 2,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.885 122.6 53.0 -74.9 -43.9 2.1 16.4 -12.2 60 63 A I H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.923 112.0 45.1 -59.2 -47.6 2.8 14.7 -8.8 61 64 A H H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 112.8 50.5 -64.0 -43.1 0.3 11.9 -9.6 62 65 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.880 113.2 45.0 -63.4 -42.0 1.6 11.4 -13.2 63 66 A K H X S+ 0 0 29 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.808 113.1 51.1 -68.9 -38.6 5.3 11.1 -12.0 64 67 A R H X S+ 0 0 71 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.783 108.6 51.9 -66.9 -38.6 4.3 8.8 -9.1 65 68 A T H X S+ 0 0 7 -4,-1.7 4,-2.2 -10,-0.3 -2,-0.2 0.913 113.7 43.7 -64.4 -45.2 2.4 6.6 -11.7 66 69 A Y H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.933 112.8 52.5 -66.3 -48.9 5.6 6.4 -13.9 67 70 A R H X S+ 0 0 40 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.886 113.1 44.4 -49.7 -52.3 7.9 5.9 -10.8 68 71 A E H X S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.920 114.3 46.6 -65.2 -49.5 5.7 2.9 -9.6 69 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 113.5 49.3 -62.3 -43.2 5.3 1.2 -13.0 70 73 A R H X S+ 0 0 37 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.904 113.3 48.1 -59.2 -45.5 9.1 1.6 -13.8 71 74 A L H >X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.2 3,-0.8 0.951 111.7 48.3 -59.2 -56.0 9.9 0.1 -10.3 72 75 A L H 3< S+ 0 0 14 -4,-2.7 11,-1.0 1,-0.2 -1,-0.2 0.827 109.5 53.7 -54.3 -38.7 7.5 -2.9 -10.7 73 76 A K H 3< S+ 0 0 45 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.762 114.1 41.7 -70.5 -26.1 8.9 -3.6 -14.2 74 77 A H H << S+ 0 0 41 -4,-1.2 2,-0.4 -3,-0.8 234,-0.2 0.823 89.0 98.6 -88.0 -36.9 12.5 -3.8 -12.9 75 78 A M < + 0 0 4 -4,-2.1 8,-0.3 -5,-0.1 2,-0.3 -0.407 38.7 160.6 -66.8 111.1 12.0 -5.8 -9.6 76 79 A K + 0 0 143 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.726 27.6 111.6-136.1 82.5 12.8 -9.5 -10.1 77 80 A H > - 0 0 20 3,-0.5 3,-1.4 -2,-0.3 57,-0.0 -0.981 67.7-119.4-153.9 146.9 13.4 -11.2 -6.7 78 81 A E T 3 S+ 0 0 117 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.717 114.0 41.7 -58.4 -33.1 11.7 -13.9 -4.5 79 82 A N T 3 S+ 0 0 7 83,-0.1 84,-1.9 51,-0.1 2,-0.4 0.146 105.5 75.3-105.1 15.6 11.2 -11.5 -1.5 80 83 A V B < S-f 163 0C 1 -3,-1.4 -3,-0.5 82,-0.3 84,-0.1 -0.989 89.3-108.4-129.4 132.2 10.2 -8.4 -3.5 81 84 A I - 0 0 7 82,-2.4 2,-0.3 -2,-0.4 -6,-0.1 -0.374 39.3-159.9 -61.8 138.2 6.8 -8.0 -5.2 82 85 A G - 0 0 19 -4,-0.1 2,-0.5 -6,-0.1 22,-0.4 -0.849 21.7-102.6-119.4 160.2 6.8 -8.3 -9.0 83 86 A L + 0 0 11 -11,-1.0 20,-0.2 -8,-0.3 3,-0.1 -0.710 31.3 173.3 -83.0 120.0 4.6 -7.2 -11.9 84 87 A L S S- 0 0 37 18,-3.3 2,-0.3 -2,-0.5 19,-0.2 0.740 72.2 -13.8 -91.1 -34.0 2.5 -10.0 -13.3 85 88 A D E -E 102 0B 24 17,-1.3 17,-3.0 252,-0.1 -1,-0.4 -0.969 51.3-160.3-165.3 156.7 0.5 -7.7 -15.6 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.981 25.5 165.6-143.6 133.1 -0.3 -4.0 -16.3 87 90 A F E -E 100 0B 14 13,-1.9 13,-2.0 -2,-0.3 -2,-0.0 -0.987 24.2-161.4-150.8 160.5 -3.3 -2.8 -18.3 88 91 A T - 0 0 15 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.992 25.3-136.9-137.9 138.7 -5.5 0.1 -19.3 89 92 A P S S+ 0 0 16 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.677 77.3 110.1 -69.3 -11.8 -9.1 -0.1 -20.8 90 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.301 56.2-161.6 -64.3 142.2 -7.8 2.8 -23.1 91 94 A R S S+ 0 0 167 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.489 75.4 21.0-102.8 -9.5 -7.2 2.0 -26.8 92 95 A S S >> S- 0 0 29 1,-0.1 4,-0.7 0, 0.0 3,-0.5 -0.962 82.5-104.6-151.8 165.1 -5.0 5.1 -27.4 93 96 A L T 34 S+ 0 0 45 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.806 118.8 60.9 -59.7 -33.5 -2.8 7.6 -25.6 94 97 A E T 34 S+ 0 0 153 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.850 110.1 38.3 -63.8 -39.6 -5.6 10.2 -26.0 95 98 A E T <4 S+ 0 0 103 -3,-0.5 2,-0.6 2,-0.0 -1,-0.2 0.475 87.7 123.4 -87.5 -12.0 -8.1 8.0 -24.0 96 99 A F < + 0 0 0 -4,-0.7 3,-0.1 -3,-0.3 233,-0.1 -0.440 18.8 125.0 -63.0 103.5 -5.4 6.9 -21.5 97 100 A N + 0 0 92 -2,-0.6 -41,-0.4 1,-0.2 2,-0.3 0.445 57.1 61.8-136.0 -12.0 -6.6 7.9 -18.0 98 101 A D - 0 0 50 -3,-0.1 2,-0.4 -44,-0.1 -8,-0.3 -0.964 53.0-169.8-129.1 141.6 -6.5 4.7 -15.9 99 102 A V - 0 0 0 -2,-0.3 -47,-2.5 -47,-0.3 2,-0.4 -1.000 3.5-171.8-132.2 130.4 -3.7 2.3 -14.9 100 103 A Y E -DE 51 87B 3 -13,-2.0 -13,-1.9 -2,-0.4 2,-0.4 -0.973 6.0-160.0-124.4 139.0 -4.1 -1.1 -13.2 101 104 A L E -DE 50 86B 5 -51,-2.2 -51,-3.0 -2,-0.4 2,-0.4 -0.966 2.6-155.4-123.9 136.9 -1.3 -3.3 -11.8 102 105 A V E +DE 49 85B 0 -17,-3.0 -18,-3.3 -2,-0.4 -17,-1.3 -0.950 21.5 156.8-117.6 127.7 -1.3 -7.0 -11.1 103 106 A T E -D 48 0B 21 -55,-2.5 -55,-2.9 -2,-0.4 -20,-0.1 -0.828 50.1 -76.9-132.2 174.9 0.9 -8.9 -8.6 104 107 A H E -D 47 0B 68 -22,-0.4 -57,-0.2 -2,-0.2 3,-0.1 -0.445 31.7-147.6 -68.4 150.4 0.7 -12.2 -6.7 105 108 A L - 0 0 28 -59,-1.4 2,-2.0 1,-0.1 50,-0.2 0.799 14.3-167.6 -88.6 -35.7 -1.7 -12.0 -3.7 106 109 A M - 0 0 38 -60,-0.4 51,-0.4 1,-0.2 -1,-0.1 -0.325 53.2 -88.1 76.0 -52.3 0.4 -14.5 -1.4 107 110 A G S S- 0 0 54 -2,-2.0 2,-0.3 49,-0.1 -1,-0.2 -0.419 86.8 -10.9 152.7 -64.2 -2.6 -14.8 1.0 108 111 A A E -G 155 0C 32 47,-1.7 47,-3.2 45,-0.0 2,-0.1 -0.908 68.0 -92.1-151.9 175.0 -2.4 -12.1 3.6 109 112 A D E > -G 154 0C 47 -2,-0.3 4,-0.9 45,-0.2 3,-0.3 -0.414 47.8 -97.6 -91.3 168.9 -0.2 -9.3 5.2 110 113 A L H > S+ 0 0 1 43,-1.5 4,-2.4 40,-1.5 5,-0.3 0.817 118.7 59.8 -60.3 -29.8 2.1 -9.9 8.2 111 114 A N H > S+ 0 0 50 39,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.910 103.8 47.6 -64.6 -46.3 -0.4 -8.4 10.7 112 115 A N H 4 S+ 0 0 94 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.678 116.0 47.0 -69.0 -18.3 -3.2 -11.0 9.9 113 116 A I H < S+ 0 0 69 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.875 121.8 32.1 -89.0 -45.9 -0.7 -13.9 10.2 114 117 A V H >< S- 0 0 5 -4,-2.4 3,-1.5 2,-0.0 -2,-0.2 0.900 78.6-175.7 -79.1 -42.7 1.0 -12.8 13.5 115 118 A K T 3< S- 0 0 122 -4,-2.8 -3,-0.1 -5,-0.3 -4,-0.1 0.853 75.6 -52.5 38.5 52.9 -2.1 -11.2 15.0 116 119 A C T 3 S+ 0 0 99 1,-0.2 -1,-0.3 -5,-0.2 2,-0.2 0.593 99.5 148.5 67.0 22.5 -0.1 -9.9 18.1 117 120 A Q < - 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0 0 16 -55,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.381 62.2-155.0 -61.9 126.8 42.8 -24.6 -24.5 1260 253 D E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.842 95.3 48.6 -68.3 -37.2 40.3 -27.5 -25.1 1261 254 D S H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.846 110.0 50.2 -73.1 -37.5 38.9 -27.1 -21.5 1262 255 D A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 113.1 46.7 -68.0 -40.3 38.4 -23.3 -21.8 1263 256 D R H X S+ 0 0 76 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.919 111.0 53.2 -66.4 -41.1 36.6 -23.8 -25.2 1264 257 D N H < S+ 0 0 100 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 110.5 47.2 -58.3 -45.2 34.5 -26.6 -23.6 1265 258 D Y H < S+ 0 0 53 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.917 116.7 41.9 -61.9 -50.8 33.5 -24.2 -20.7 1266 259 D I H >< S+ 0 0 10 -4,-2.2 2,-1.8 1,-0.2 3,-1.3 0.941 110.9 55.4 -60.1 -56.8 32.5 -21.3 -23.0 1267 260 D Q T 3< S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 3,-0.1 -0.494 106.3 53.5 -81.1 62.0 30.7 -23.4 -25.7 1268 261 D S T 3 S+ 0 0 97 -2,-1.8 2,-0.3 1,-0.4 -1,-0.2 0.216 93.9 77.7-162.0 -29.4 28.3 -25.0 -23.1 1269 262 D L S < S- 0 0 48 -3,-1.3 -1,-0.4 -4,-0.5 3,-0.1 -0.722 95.4 -66.0-104.7 154.1 26.8 -21.9 -21.4 1270 263 D T - 0 0 103 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 -0.019 51.1-117.2 -31.3 110.4 24.1 -19.4 -22.4 1271 264 D Q - 0 0 159 -3,-0.1 -1,-0.2 -24,-0.1 -4,-0.0 -0.467 38.8-159.7 -61.9 99.6 25.1 -17.3 -25.4 1272 265 D M - 0 0 41 -2,-0.8 -24,-2.6 -3,-0.1 2,-0.1 -0.728 8.6-132.3 -86.1 127.8 25.1 -13.9 -23.6 1273 266 D P - 0 0 104 0, 0.0 -26,-0.3 0, 0.0 2,-0.3 -0.477 29.7-100.0 -77.8 156.6 24.8 -10.8 -25.8 1274 267 D K - 0 0 110 -28,-0.2 -28,-0.2 -2,-0.1 2,-0.2 -0.585 39.9-132.1 -73.4 131.3 27.2 -7.8 -25.2 1275 268 D M - 0 0 75 -30,-2.8 2,-0.5 -2,-0.3 -1,-0.1 -0.521 17.6-112.2 -82.2 152.3 25.5 -5.1 -23.1 1276 269 D N > - 0 0 83 -2,-0.2 3,-0.9 1,-0.1 4,-0.1 -0.783 21.6-145.7 -83.7 125.2 25.6 -1.5 -24.2 1277 270 D F G >> S+ 0 0 0 -2,-0.5 4,-2.8 1,-0.2 3,-1.6 0.779 95.8 66.8 -64.6 -28.3 27.7 0.3 -21.5 1278 271 D A G 34 S+ 0 0 45 1,-0.3 -1,-0.2 2,-0.2 5,-0.2 0.796 100.5 51.3 -61.5 -29.1 25.6 3.5 -21.8 1279 272 D N G <4 S+ 0 0 112 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.406 116.3 40.4 -87.4 -2.0 22.6 1.4 -20.3 1280 273 D V T <4 S+ 0 0 15 -3,-1.6 2,-0.8 1,-0.1 -2,-0.2 0.740 116.6 44.5-109.9 -47.0 24.8 0.2 -17.4 1281 274 D F S >< S- 0 0 7 -4,-2.8 3,-1.6 -972,-0.1 8,-0.1 -0.548 85.2-177.3 -99.6 57.5 26.8 3.4 -16.4 1282 275 D I T 3 + 0 0 54 -2,-0.8 3,-0.1 1,-0.2 -3,-0.1 -0.389 65.5 16.9 -65.3 132.5 23.7 5.6 -16.7 1283 276 D G T 3 S+ 0 0 86 1,-0.3 -1,-0.2 -5,-0.2 2,-0.1 0.283 95.4 128.8 88.5 -9.5 24.4 9.3 -16.1 1284 277 D A S < S- 0 0 25 -3,-1.6 -1,-0.3 -6,-0.2 5,-0.1 -0.453 74.8 -83.5 -77.2 154.3 28.2 8.9 -16.6 1285 278 D N >> - 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