==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-NOV-04 1WBS . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.TICKLE,A.CLEASBY,L.A.DEVINE,H.JHOTI . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 64.1 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 . 41 11.7 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 . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.8 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 2 1 1 1 1 0 1 0 1 1 0 1 1 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 . 1 0 2 0 1 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 . 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 4 A E 0 0 250 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.8 26.1 -0.3 23.8 2 5 A R - 0 0 97 1,-0.1 3,-0.0 89,-0.0 89,-0.0 -0.592 360.0-119.5 -66.9 130.4 24.0 2.6 22.4 3 6 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.312 24.7-104.4 -69.7 158.7 20.6 1.3 21.3 4 7 A T - 0 0 82 0, 0.0 15,-2.2 0, 0.0 2,-0.3 -0.675 38.1-150.9 -77.3 138.0 19.5 1.6 17.7 5 8 A F E -A 18 0A 24 -2,-0.3 2,-0.3 13,-0.2 11,-0.0 -0.839 7.3-159.1-107.4 148.3 16.9 4.3 17.3 6 9 A Y E -A 17 0A 57 11,-2.3 11,-1.8 -2,-0.3 2,-0.3 -0.938 14.6-126.6-125.5 154.7 14.1 4.4 14.7 7 10 A R E +A 16 0A 159 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.717 28.1 166.2-103.9 149.9 12.1 7.4 13.5 8 11 A Q E -A 15 0A 62 7,-1.6 7,-3.3 -2,-0.3 2,-0.5 -0.951 27.5-135.9-161.9 133.7 8.3 8.0 13.4 9 12 A E E +A 14 0A 118 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.869 24.7 176.3 -98.5 129.3 6.1 11.0 12.8 10 13 A L E > -A 13 0A 29 3,-3.2 3,-0.8 -2,-0.5 15,-0.0 -0.940 69.9 -20.3-137.9 112.3 3.1 11.3 15.1 11 14 A N T 3 S- 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.926 127.7 -50.2 53.0 51.6 0.7 14.4 15.0 12 15 A K T 3 S+ 0 0 184 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.616 118.0 115.5 63.6 17.6 3.4 16.5 13.2 13 16 A T E < -A 10 0A 33 -3,-0.8 -3,-3.2 2,-0.0 2,-0.5 -0.956 63.2-134.3-116.4 131.3 6.0 15.5 15.9 14 17 A I E -A 9 0A 59 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.742 19.4-164.2 -83.0 128.8 9.1 13.5 15.1 15 18 A W E -A 8 0A 4 -7,-3.3 -7,-1.6 -2,-0.5 2,-0.5 -0.976 9.9-178.5-114.1 121.0 9.7 10.6 17.6 16 19 A E E +A 7 0A 48 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.957 22.4 158.2-117.5 107.6 13.2 9.0 17.6 17 20 A V E -A 6 0A 2 -11,-1.8 -11,-2.3 -2,-0.5 -2,-0.0 -0.895 46.1 -87.9-129.0 155.7 13.2 6.2 20.2 18 21 A P E > -A 5 0A 2 0, 0.0 3,-2.1 0, 0.0 -13,-0.2 -0.318 43.7-111.6 -58.0 148.0 15.1 3.0 20.9 19 22 A E T 3 S+ 0 0 109 -15,-2.2 22,-0.1 1,-0.3 -14,-0.1 0.723 110.7 75.0 -54.0 -29.8 13.9 -0.1 19.2 20 23 A R T 3 S+ 0 0 49 -16,-0.2 21,-2.9 20,-0.1 2,-0.7 0.749 83.1 77.7 -54.6 -27.0 12.7 -1.6 22.5 21 24 A Y E < +B 40 0B 0 -3,-2.1 2,-0.2 19,-0.2 19,-0.2 -0.805 67.4 171.1 -94.6 115.2 9.8 0.8 22.5 22 25 A Q E +B 39 0B 70 17,-2.6 17,-2.8 -2,-0.7 -2,-0.0 -0.755 45.7 29.9-122.1 164.1 7.0 -0.3 20.1 23 26 A N E S- 0 0 120 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.885 71.5-163.9 55.9 46.3 3.4 0.5 19.2 24 27 A L E + 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.399 11.0 179.4 -62.3 135.7 3.8 4.2 19.9 25 28 A S E -B 37 0B 66 12,-1.9 12,-3.2 -2,-0.1 -15,-0.0 -0.971 31.4-109.2-146.5 119.2 0.4 5.9 20.2 26 29 A P E +B 36 0B 54 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.242 36.6 167.8 -50.2 130.5 -0.4 9.6 21.0 27 30 A V E - 0 0 73 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.682 60.1 -38.2-112.0 -40.3 -1.8 10.3 24.5 28 31 A G E -B 35 0B 29 7,-1.6 7,-3.4 2,-0.0 -1,-0.4 -0.979 47.8-157.3-175.6 167.4 -1.5 14.1 24.8 29 32 A S E +B 34 0B 92 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.987 13.6 158.4-155.2 161.8 0.5 17.2 24.1 30 33 A G - 0 0 29 3,-2.5 3,-0.3 -2,-0.3 139,-0.2 -0.884 59.8 -64.3-161.7-168.1 1.1 20.8 25.3 31 34 A A S S+ 0 0 65 -2,-0.3 138,-0.3 1,-0.2 3,-0.1 0.798 130.0 41.0 -62.6 -31.9 3.6 23.6 25.3 32 35 A Y S S- 0 0 48 136,-3.9 21,-2.4 1,-0.2 2,-0.3 0.657 123.9 -22.9 -94.0 -18.7 6.1 21.6 27.4 33 36 A G E - C 0 52B 0 135,-0.9 -3,-2.5 19,-0.3 2,-0.3 -0.995 46.3-118.2-177.4 169.9 5.8 18.2 25.9 34 37 A S E -BC 29 51B 14 17,-2.3 17,-3.0 -2,-0.3 2,-0.4 -0.966 27.0-151.4-125.1 145.5 4.1 15.4 23.9 35 38 A V E -BC 28 50B 12 -7,-3.4 -8,-3.4 -2,-0.3 -7,-1.6 -0.968 11.5-176.9-126.9 131.8 3.2 12.0 25.3 36 39 A C E -BC 26 49B 2 13,-2.4 13,-3.0 -2,-0.4 2,-0.2 -0.966 22.7-132.9-120.9 142.2 2.9 8.5 23.7 37 40 A A E +BC 25 48B 19 -12,-3.2 -12,-1.9 -2,-0.4 2,-0.3 -0.615 38.6 165.7 -77.9 151.9 1.8 5.2 25.1 38 41 A A E - C 0 47B 7 9,-2.2 9,-2.7 -2,-0.2 2,-0.5 -0.972 38.5-111.9-160.1 166.9 4.1 2.3 24.1 39 42 A F E -BC 22 46B 79 -17,-2.8 -17,-2.6 -2,-0.3 2,-1.0 -0.953 23.5-146.0-108.3 122.0 5.1 -1.3 24.8 40 43 A D E >> -BC 21 45B 0 5,-3.0 4,-2.4 -2,-0.5 5,-0.7 -0.797 10.6-169.0 -89.0 104.4 8.5 -1.8 26.3 41 44 A T T 45S+ 0 0 77 -21,-2.9 -1,-0.2 -2,-1.0 -20,-0.1 0.696 82.3 58.5 -68.9 -20.0 9.7 -5.1 24.8 42 45 A K T 45S+ 0 0 152 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.875 122.9 20.4 -74.2 -39.3 12.7 -5.3 27.2 43 46 A T T 45S- 0 0 21 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.546 97.9-124.8-107.3 -14.4 10.6 -5.1 30.5 44 47 A G T <5 + 0 0 47 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.607 65.7 136.2 76.8 13.5 7.2 -6.2 29.2 45 48 A L E < -C 40 0B 35 -5,-0.7 -5,-3.0 -6,-0.0 2,-0.6 -0.686 61.3-124.8 -99.0 144.9 5.6 -3.1 30.5 46 49 A R E -C 39 0B 178 -2,-0.3 59,-2.8 -7,-0.2 2,-0.3 -0.793 45.1-174.3 -77.5 123.4 3.1 -0.6 29.1 47 50 A V E -CD 38 104B 0 -9,-2.7 -9,-2.2 -2,-0.6 2,-0.5 -0.795 28.5-135.8-123.4 158.2 4.9 2.7 29.3 48 51 A A E -CD 37 103B 18 55,-2.7 55,-2.2 -2,-0.3 2,-0.5 -0.984 20.9-159.0-111.4 128.7 4.3 6.4 28.7 49 52 A V E -CD 36 102B 0 -13,-3.0 -13,-2.4 -2,-0.5 2,-0.6 -0.947 2.0-160.9-110.8 119.2 7.0 8.3 26.9 50 53 A K E -CD 35 101B 34 51,-3.2 51,-2.9 -2,-0.5 2,-0.6 -0.911 1.5-160.7-102.3 122.6 7.2 12.1 27.2 51 54 A K E -CD 34 100B 31 -17,-3.0 -17,-2.3 -2,-0.6 49,-0.2 -0.907 21.9-130.9 -97.2 117.4 9.2 14.0 24.6 52 55 A L E -C 33 0B 8 47,-2.3 2,-0.6 -2,-0.6 47,-0.3 -0.418 17.3-125.5 -68.9 141.1 10.0 17.5 26.0 53 56 A S S S- 0 0 36 -21,-2.4 4,-0.2 1,-0.2 -1,-0.1 -0.828 80.1 -27.0 -94.0 117.2 9.3 20.4 23.6 54 57 A R S > S- 0 0 169 -2,-0.6 3,-1.8 1,-0.1 4,-0.3 0.918 75.7-175.1 45.2 59.3 12.3 22.6 22.9 55 58 A P T 3 S+ 0 0 5 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.717 78.9 34.9 -60.1 -24.7 13.8 21.7 26.3 56 59 A F T 3 S+ 0 0 20 41,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.002 78.2 117.9-119.8 26.3 16.7 24.2 25.9 57 60 A Q S < S+ 0 0 70 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.1 0.838 86.5 3.9 -61.9 -35.4 15.0 27.0 24.1 58 61 A S S > S- 0 0 29 -4,-0.3 4,-3.0 -3,-0.2 5,-0.2 -0.895 79.2-101.6-141.8 169.9 15.7 29.5 26.9 59 62 A I H > S+ 0 0 81 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.953 123.2 51.3 -55.5 -51.1 17.4 29.6 30.3 60 63 A I H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 114.8 41.5 -56.4 -44.5 14.1 29.2 32.1 61 64 A H H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 112.9 53.7 -71.2 -42.2 13.2 26.1 30.0 62 65 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.906 111.2 46.8 -57.3 -43.0 16.7 24.7 30.2 63 66 A K H X S+ 0 0 35 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.887 110.6 51.9 -67.1 -42.0 16.5 25.0 34.0 64 67 A R H X S+ 0 0 62 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.853 108.6 51.7 -61.7 -37.9 13.0 23.4 34.1 65 68 A T H X S+ 0 0 10 -4,-2.3 4,-2.2 -10,-0.4 -2,-0.2 0.959 111.9 45.9 -63.9 -51.2 14.3 20.5 32.1 66 69 A Y H X S+ 0 0 14 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.918 112.1 52.4 -56.3 -47.7 17.2 19.9 34.5 67 70 A R H X S+ 0 0 65 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.903 109.6 47.9 -55.4 -49.3 14.9 20.2 37.5 68 71 A E H X S+ 0 0 48 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.941 113.1 47.7 -60.9 -47.1 12.4 17.6 36.2 69 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.935 112.9 48.4 -60.0 -48.1 15.2 15.1 35.4 70 73 A R H X S+ 0 0 40 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.926 114.5 46.6 -54.2 -50.3 16.9 15.6 38.8 71 74 A L H >X S+ 0 0 43 -4,-2.6 4,-1.7 -5,-0.2 3,-0.9 0.970 114.1 47.1 -55.7 -58.0 13.5 15.2 40.5 72 75 A L H 3< S+ 0 0 22 -4,-3.2 11,-0.6 1,-0.3 -2,-0.2 0.853 110.3 51.7 -56.7 -42.3 12.6 12.1 38.5 73 76 A K H 3< S+ 0 0 41 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.780 112.9 48.0 -64.5 -26.6 16.0 10.4 39.0 74 77 A H H << S+ 0 0 37 -4,-1.3 2,-0.6 -3,-0.9 244,-0.2 0.830 87.2 92.6 -83.9 -33.4 15.6 10.9 42.7 75 78 A M < + 0 0 14 -4,-1.7 8,-0.4 -5,-0.1 2,-0.4 -0.520 38.7 157.6 -81.4 111.9 12.1 9.7 43.4 76 79 A K + 0 0 159 -2,-0.6 2,-0.3 6,-0.1 6,-0.1 -0.809 26.8 119.1-135.0 86.8 12.1 6.0 44.4 77 80 A H > - 0 0 16 3,-0.4 3,-1.9 -2,-0.4 57,-0.0 -0.984 66.5-120.7-154.2 140.2 8.9 5.3 46.3 78 81 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.746 113.6 44.6 -53.6 -32.6 5.9 2.9 45.7 79 82 A N T 3 S+ 0 0 4 83,-0.1 84,-2.3 2,-0.1 2,-0.3 0.129 105.7 71.8-102.4 17.7 3.4 5.8 45.7 80 83 A V B < S-f 163 0C 4 -3,-1.9 -3,-0.4 82,-0.3 84,-0.2 -0.976 94.4 -87.8-132.0 146.1 5.4 8.2 43.5 81 84 A I - 0 0 36 82,-2.6 2,-0.4 -2,-0.3 -4,-0.2 -0.183 42.5-146.8 -46.2 136.7 6.1 8.1 39.7 82 85 A G - 0 0 19 -6,-0.1 2,-0.8 -4,-0.1 22,-0.4 -0.928 11.2-126.5-111.6 141.3 9.3 6.1 38.9 83 86 A L + 0 0 16 -11,-0.6 20,-0.2 -8,-0.4 3,-0.1 -0.765 26.8 177.2 -86.3 110.2 11.7 6.9 36.0 84 87 A L - 0 0 21 18,-2.6 2,-0.3 -2,-0.8 19,-0.2 0.829 66.8 -14.2 -78.0 -35.1 12.0 3.7 33.9 85 88 A D E -E 102 0B 21 17,-1.3 17,-2.8 262,-0.1 2,-0.3 -0.980 48.8-162.1-164.7 150.0 14.3 5.3 31.3 86 89 A V E +E 101 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.972 27.8 164.3-137.1 135.1 15.6 8.7 30.0 87 90 A F E -E 100 0B 13 13,-2.0 13,-2.3 -2,-0.3 -2,-0.0 -0.967 25.4-162.1-148.4 161.8 17.2 8.9 26.6 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.984 24.6-136.6-139.7 142.4 18.3 11.2 23.7 89 92 A P S S+ 0 0 20 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.627 73.4 113.6 -70.4 -12.3 19.0 10.3 20.1 90 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.306 54.8-160.5 -63.0 139.3 22.1 12.5 20.3 91 94 A R S S+ 0 0 168 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.471 76.4 17.9 -96.8 -6.1 25.5 10.9 20.1 92 95 A S S S- 0 0 29 1,-0.1 4,-0.4 0, 0.0 3,-0.4 -0.978 80.4-105.0-154.9 165.9 27.3 13.9 21.7 93 96 A L S > S+ 0 0 58 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.856 116.0 64.0 -58.8 -35.7 26.7 17.0 23.8 94 97 A E T 3 S+ 0 0 165 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.878 112.5 31.8 -61.0 -39.9 27.1 19.0 20.6 95 98 A E T 3 S+ 0 0 98 -3,-0.4 2,-0.6 -6,-0.0 -1,-0.3 0.286 87.8 126.9-100.2 8.7 24.1 17.5 18.9 96 99 A F < + 0 0 0 -3,-1.0 3,-0.1 -4,-0.4 243,-0.1 -0.579 18.0 131.5 -69.2 113.7 22.1 17.1 22.2 97 100 A N + 0 0 88 -2,-0.6 2,-0.3 1,-0.2 -41,-0.3 0.378 53.0 58.7-143.8 -3.3 18.7 18.8 21.7 98 101 A D - 0 0 49 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.989 51.5-167.3-138.9 146.0 15.9 16.3 22.8 99 102 A V - 0 0 1 -2,-0.3 -47,-2.3 -47,-0.3 2,-0.4 -0.999 4.3-167.1-134.6 130.0 15.1 14.5 26.0 100 103 A Y E -DE 51 87B 2 -13,-2.3 -13,-2.0 -2,-0.4 2,-0.4 -0.975 5.4-160.2-121.4 134.8 12.6 11.7 26.3 101 104 A L E -DE 50 86B 10 -51,-2.9 -51,-3.2 -2,-0.4 2,-0.4 -0.956 5.4-160.1-120.9 132.8 11.3 10.5 29.7 102 105 A V E +DE 49 85B 1 -17,-2.8 -18,-2.6 -2,-0.4 -17,-1.3 -0.922 18.6 153.5-121.2 131.5 9.7 7.0 30.3 103 106 A T E -D 48 0B 26 -55,-2.2 -55,-2.7 -2,-0.4 -20,-0.1 -0.849 52.4 -66.4-139.5 175.5 7.4 5.8 33.1 104 107 A H E -D 47 0B 80 -22,-0.4 -57,-0.3 -2,-0.3 2,-0.2 -0.432 60.8-105.2 -62.8 139.9 4.7 3.2 33.7 105 108 A L - 0 0 40 -59,-2.8 -59,-0.1 -67,-0.1 -1,-0.1 -0.494 31.3-161.9 -72.6 132.2 1.6 3.9 31.7 106 109 A M + 0 0 55 -2,-0.2 2,-1.3 1,-0.2 -1,-0.1 0.984 19.4 165.8 -74.9 -74.3 -1.3 5.2 33.8 107 110 A G + 0 0 66 49,-0.0 2,-0.4 47,-0.0 -1,-0.2 -0.737 65.7 51.2 81.9 -88.2 -4.6 4.8 32.0 108 111 A A - 0 0 36 -2,-1.3 47,-2.2 47,-0.2 2,-0.2 -0.683 66.1-174.8 -92.3 133.6 -6.9 5.5 35.0 109 112 A D B > -G 154 0C 27 -2,-0.4 4,-1.4 45,-0.3 3,-0.3 -0.597 43.0 -97.0-111.9 177.7 -6.6 8.5 37.3 110 113 A L H > S+ 0 0 0 43,-1.7 4,-2.7 40,-1.6 5,-0.2 0.770 118.0 64.7 -71.8 -25.9 -8.5 9.4 40.5 111 114 A N H > S+ 0 0 69 39,-0.5 4,-2.2 42,-0.2 -1,-0.2 0.935 105.7 42.2 -60.0 -48.3 -10.9 11.6 38.6 112 115 A N H > S+ 0 0 52 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.811 112.4 55.5 -74.4 -24.7 -12.3 8.7 36.6 113 116 A I H X S+ 0 0 12 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.961 113.1 40.5 -64.0 -51.1 -12.3 6.5 39.8 114 117 A V H < S+ 0 0 18 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.815 119.4 46.9 -71.7 -29.5 -14.4 9.1 41.6 115 118 A K H < S+ 0 0 158 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.816 120.7 35.2 -75.2 -31.9 -16.6 9.8 38.5 116 119 A C H < S+ 0 0 99 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.259 110.6 42.2-118.3 10.3 -17.2 6.1 37.6 117 120 A Q S < S- 0 0 102 -4,-1.0 2,-0.4 -3,-0.1 -1,-0.1 -0.996 72.7-105.5-157.3 156.8 -17.5 4.0 40.8 118 121 A K - 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0 0 37 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.354 29.4-146.9 -59.7 137.0 -15.8 19.0 44.2 219 222 A L S S+ 0 0 33 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.923 89.6 16.1 -73.0 -48.9 -15.3 20.7 47.6 220 223 A F + 0 0 3 -36,-0.3 2,-2.4 2,-0.1 -1,-0.2 -0.561 68.2 170.9-127.8 67.0 -14.6 24.3 46.3 221 224 A P - 0 0 37 0, 0.0 -40,-0.1 0, 0.0 -37,-0.0 -0.363 21.5-176.2 -76.6 65.6 -15.7 24.5 42.7 222 225 A G - 0 0 0 -2,-2.4 -42,-0.4 1,-0.1 -39,-0.1 -0.305 32.1-142.0 -69.0 145.8 -15.3 28.3 42.5 223 226 A T S S- 0 0 74 -44,-0.2 2,-0.3 1,-0.1 -44,-0.2 0.524 86.2 -9.6 -78.8 -13.4 -16.2 30.2 39.3 224 227 A D S > S- 0 0 63 -47,-0.1 4,-2.4 -46,-0.1 5,-0.2 -0.940 90.0 -77.3-167.4 179.0 -13.2 32.4 39.8 225 228 A H H > S+ 0 0 54 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.881 127.8 42.0 -54.3 -44.3 -10.4 33.1 42.4 226 229 A I H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 112.7 51.4 -78.5 -40.4 -12.7 35.3 44.6 227 230 A D H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 111.8 49.8 -58.1 -40.5 -15.8 33.0 44.4 228 231 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 107.9 52.6 -67.2 -43.3 -13.5 30.1 45.4 229 232 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.909 108.7 50.8 -54.7 -45.8 -12.1 32.1 48.3 230 233 A K H X S+ 0 0 113 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.897 109.1 50.9 -61.3 -40.6 -15.7 32.8 49.5 231 234 A L H X S+ 0 0 51 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.911 113.5 46.1 -60.9 -43.4 -16.5 29.0 49.3 232 235 A I H >X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 3,-0.6 0.935 113.2 47.1 -63.5 -50.3 -13.4 28.3 51.4 233 236 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.792 105.3 60.8 -69.3 -27.1 -14.0 30.9 54.0 234 237 A R H 3< S+ 0 0 149 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.870 115.2 34.1 -61.9 -37.2 -17.7 29.9 54.3 235 238 A L H << S+ 0 0 10 -4,-1.0 30,-3.1 -3,-0.6 -2,-0.2 0.938 129.9 29.7 -81.6 -50.4 -16.5 26.4 55.4 236 239 A V H < S- 0 0 20 -4,-2.6 28,-0.3 28,-0.2 52,-0.2 0.530 110.5-112.3 -98.2 -9.9 -13.3 27.1 57.4 237 240 A G < - 0 0 6 -4,-1.5 -1,-0.2 26,-0.4 -3,-0.1 0.106 36.1 -70.2 92.6 152.4 -14.2 30.5 58.7 238 241 A T - 0 0 26 24,-1.9 26,-0.1 1,-0.1 23,-0.0 -0.443 65.5 -92.6 -71.2 151.2 -12.7 34.0 58.0 239 242 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.297 32.8-133.2 -69.4 151.9 -9.1 34.5 59.4 240 243 A G > - 0 0 46 -3,-0.1 4,-2.2 1,-0.0 3,-0.3 -0.323 37.9 -89.6 -88.6-179.2 -8.3 35.9 62.7 241 244 A A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.805 122.5 62.0 -65.5 -32.2 -5.6 38.6 63.4 242 245 A E H > S+ 0 0 106 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.914 110.8 37.8 -61.2 -46.1 -2.9 36.0 63.9 243 246 A L H >> S+ 0 0 11 -3,-0.3 3,-0.7 2,-0.2 4,-0.7 0.886 112.0 59.8 -70.8 -39.6 -3.2 34.7 60.4 244 247 A L H >< S+ 0 0 24 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.873 100.8 55.2 -58.0 -38.7 -3.8 38.2 58.9 245 248 A K H 3< S+ 0 0 160 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.818 102.9 56.8 -61.2 -32.8 -0.4 39.3 60.2 246 249 A K H << S+ 0 0 63 -3,-0.7 2,-1.0 -4,-0.7 -1,-0.2 0.613 80.5 99.7 -77.5 -14.2 1.3 36.5 58.4 247 250 A I << - 0 0 0 -3,-1.0 -52,-0.2 -4,-0.7 6,-0.1 -0.667 55.7-169.9 -76.5 104.2 -0.2 37.6 55.0 248 251 A S + 0 0 89 -54,-1.2 2,-0.7 -2,-1.0 -53,-0.2 0.796 63.3 87.8 -65.8 -34.4 2.8 39.5 53.5 249 252 A S > - 0 0 39 -55,-1.5 4,-2.5 1,-0.2 5,-0.2 -0.617 62.1-163.8 -71.4 110.9 0.7 41.0 50.7 250 253 A E H > S+ 0 0 148 -2,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.873 90.7 51.0 -58.8 -41.6 -0.8 44.2 52.0 251 254 A S H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 112.4 44.4 -65.8 -45.7 -3.4 44.3 49.2 252 255 A A H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.911 114.0 51.0 -62.7 -44.9 -4.5 40.7 49.8 253 256 A R H X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.919 110.7 49.0 -58.4 -45.7 -4.6 41.4 53.6 254 257 A N H X S+ 0 0 113 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.852 109.9 51.7 -65.1 -36.3 -6.7 44.5 53.0 255 258 A Y H >< S+ 0 0 74 -4,-1.9 3,-1.5 1,-0.2 4,-0.5 0.954 106.9 52.0 -65.1 -47.6 -9.1 42.6 50.7 256 259 A I H >< S+ 0 0 8 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.879 104.8 57.4 -58.1 -38.1 -9.7 39.8 53.3 257 260 A Q H 3< S+ 0 0 115 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.659 94.7 65.4 -68.5 -17.1 -10.6 42.3 56.0 258 261 A S T << S+ 0 0 80 -3,-1.5 -1,-0.3 -4,-0.6 2,-0.2 0.654 85.9 95.7 -74.3 -16.0 -13.4 43.8 53.8 259 262 A L S < S- 0 0 33 -3,-1.4 2,-0.1 -4,-0.5 3,-0.1 -0.523 86.5-108.5 -80.8 142.6 -15.2 40.4 54.1 260 263 A T - 0 0 122 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.434 44.9-102.5 -66.9 139.8 -17.9 39.9 56.8 261 264 A Q - 0 0 161 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.407 42.6-174.7 -74.0 140.3 -16.7 37.6 59.5 262 265 A M - 0 0 64 -2,-0.1 -24,-1.9 -29,-0.1 2,-0.1 -0.997 19.9-123.7-136.4 140.4 -17.9 34.0 59.5 263 266 A P - 0 0 110 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.424 38.8 -91.6 -76.7 156.6 -17.4 31.1 61.9 264 267 A K - 0 0 95 -28,-0.3 -28,-0.2 -2,-0.1 -29,-0.1 -0.467 51.3-122.0 -58.4 135.6 -15.9 27.7 61.0 265 268 A M - 0 0 64 -30,-3.1 2,-0.8 -31,-0.1 -1,-0.1 -0.283 24.6 -95.6 -75.8 165.2 -18.8 25.4 60.0 266 269 A N > - 0 0 90 1,-0.2 3,-1.1 -2,-0.0 4,-0.4 -0.779 32.1-157.9 -81.6 112.2 -19.7 22.1 61.6 267 270 A F G >> S+ 0 0 1 -2,-0.8 4,-3.3 1,-0.3 3,-0.6 0.766 88.8 62.4 -67.5 -27.8 -18.0 19.5 59.3 268 271 A A G 34 S+ 0 0 49 1,-0.2 5,-0.4 2,-0.2 -1,-0.3 0.774 104.2 50.0 -64.3 -27.5 -20.4 16.7 60.4 269 272 A N G <4 S+ 0 0 115 -3,-1.1 -1,-0.2 3,-0.1 -2,-0.2 0.500 116.2 41.7 -90.0 -7.2 -23.2 18.7 58.9 270 273 A V T <4 S+ 0 0 47 -3,-0.6 2,-1.3 -4,-0.4 -2,-0.2 0.794 118.4 43.2 -95.8 -51.3 -21.3 19.2 55.7 271 274 A F S >< S- 0 0 5 -4,-3.3 3,-1.9 -5,-0.1 -1,-0.1 -0.561 90.7-163.0 -96.6 69.7 -19.9 15.6 55.3 272 275 A I T 3 + 0 0 140 -2,-1.3 -3,-0.1 1,-0.3 3,-0.1 -0.325 66.9 2.3 -66.3 123.9 -23.1 13.9 56.3 273 276 A G T 3 S+ 0 0 84 -5,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.444 93.8 141.4 82.4 1.2 -22.8 10.3 57.4 274 277 A A < - 0 0 23 -3,-1.9 -1,-0.3 -6,-0.2 5,-0.1 -0.461 67.6 -84.0 -74.7 146.6 -19.0 10.3 57.0 275 278 A N >> - 0 0 46 1,-0.2 4,-2.1 -2,-0.1 3,-0.9 -0.260 37.4-130.7 -40.6 120.5 -16.8 8.4 59.4 276 279 A P H 3> S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.784 109.5 57.1 -49.3 -32.2 -16.3 10.8 62.4 277 280 A L H 3> S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.820 105.3 50.1 -69.4 -35.8 -12.5 10.1 62.1 278 281 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.888 110.6 49.7 -66.8 -41.4 -12.6 11.2 58.5 279 282 A V H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 110.4 51.0 -60.4 -45.7 -14.4 14.4 59.6 280 283 A D H X S+ 0 0 53 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.904 111.0 46.9 -58.2 -46.5 -11.7 14.9 62.3 281 284 A L H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.6 0.898 108.8 55.1 -65.5 -41.7 -8.8 14.5 59.8 282 285 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.4 0.913 104.9 53.8 -55.6 -44.2 -10.5 16.9 57.3 283 286 A E H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.779 109.6 48.5 -61.0 -28.4 -10.7 19.6 60.1 284 287 A K H << S+ 0 0 92 -4,-1.0 10,-2.0 -3,-0.6 -1,-0.2 0.707 117.5 40.2 -85.7 -22.3 -6.9 19.2 60.6 285 288 A M H < S+ 0 0 0 -4,-1.5 2,-1.5 -3,-0.4 -2,-0.2 0.829 106.1 62.3 -89.4 -39.8 -6.1 19.4 56.9 286 289 A L S < S+ 0 0 2 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.484 72.5 135.8 -91.6 62.4 -8.5 22.2 55.9 287 290 A V - 0 0 34 -2,-1.5 6,-0.1 -3,-0.2 5,-0.1 -0.954 51.8-144.8-114.2 125.5 -6.9 24.8 58.1 288 291 A L S S+ 0 0 15 -2,-0.5 2,-0.8 -52,-0.2 -99,-0.2 0.913 85.5 73.3 -60.9 -44.9 -6.4 28.3 56.6 289 292 A D S >> S- 0 0 13 1,-0.2 3,-2.2 2,-0.1 4,-0.6 -0.596 72.3-155.7 -76.4 110.3 -3.2 29.0 58.5 290 293 A S T 34 S+ 0 0 7 -2,-0.8 3,-0.2 1,-0.3 -1,-0.2 0.674 90.8 64.8 -64.6 -21.1 -0.6 26.8 56.8 291 294 A D T 34 S+ 0 0 111 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.744 105.5 45.5 -64.1 -28.2 1.5 26.8 60.0 292 295 A K T <4 S+ 0 0 120 -3,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.483 86.2 113.6-102.2 -4.6 -1.3 24.9 61.8 293 296 A R S < S- 0 0 7 -4,-0.6 -8,-0.2 -3,-0.2 -9,-0.1 -0.408 74.6-106.6 -69.1 143.4 -2.1 22.3 59.2 294 297 A I - 0 0 20 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.348 36.3-128.4 -65.0 145.1 -1.4 18.6 59.9 295 298 A T > - 0 0 47 1,-0.1 4,-2.5 -92,-0.0 5,-0.1 -0.474 20.9-108.2 -88.6 169.5 1.7 17.3 58.1 296 299 A A H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 121.4 49.9 -61.4 -45.3 1.8 14.1 56.0 297 300 A A H > S+ 0 0 52 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.882 112.9 46.0 -62.4 -40.2 3.8 12.3 58.7 298 301 A Q H >4 S+ 0 0 112 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.926 111.0 53.9 -65.2 -43.9 1.4 13.4 61.4 299 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 6,-0.3 0.827 98.0 62.0 -62.7 -37.0 -1.6 12.4 59.3 300 303 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.783 103.1 52.8 -60.4 -25.8 -0.3 8.8 58.7 301 304 A A T << S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.453 83.6 116.9 -89.0 -1.4 -0.5 8.4 62.5 302 305 A H S X S- 0 0 23 -3,-1.7 3,-1.8 -4,-0.2 7,-0.1 -0.385 77.1-119.0 -69.1 145.6 -4.2 9.5 62.6 303 306 A A G > S+ 0 0 62 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.708 106.4 76.2 -60.4 -21.9 -6.7 6.9 63.8 304 307 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.821 100.0 43.3 -56.4 -33.3 -8.6 7.1 60.5 305 308 A F G X> S+ 0 0 0 -3,-1.8 4,-2.9 -6,-0.3 3,-1.9 0.137 73.2 121.8-100.2 20.9 -5.7 5.0 59.0 306 309 A A T <4 S+ 0 0 79 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.866 73.0 58.5 -51.0 -39.2 -5.4 2.5 61.8 307 310 A Q T 34 S+ 0 0 126 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.737 121.9 21.1 -58.4 -29.9 -6.1 -0.3 59.3 308 311 A Y T <4 S+ 0 0 58 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.2 0.667 88.4 115.2-116.7 -27.8 -3.1 0.6 57.0 309 312 A H < + 0 0 62 -4,-2.9 5,-0.1 -7,-0.1 3,-0.1 -0.265 29.8 167.3 -58.9 126.1 -0.6 2.6 59.1 310 313 A D > - 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