==== 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 KINASE/INHIBITOR 16-SEP-04 1W82 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.TICKLE,H.JHOTI,A.CLEASBY,L.DEVINE . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 60.7 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 12.0 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 . 22 6.3 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 . 99 28.2 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 1 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 . 0 1 2 0 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 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 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.1 26.1 -0.5 23.7 2 5 A R - 0 0 88 1,-0.1 89,-0.0 89,-0.0 2,-0.0 -0.689 360.0-126.0 -75.2 127.7 24.0 2.4 22.2 3 6 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.343 23.5-103.9 -71.0 159.6 20.6 1.0 21.1 4 7 A T - 0 0 82 -2,-0.0 15,-2.0 1,-0.0 2,-0.3 -0.616 37.0-149.4 -79.2 142.7 19.3 1.5 17.5 5 8 A F E -A 18 0A 26 -2,-0.3 2,-0.3 13,-0.2 11,-0.0 -0.824 7.8-159.4-113.0 150.7 16.6 4.2 17.2 6 9 A Y E -A 17 0A 59 11,-2.1 11,-1.7 -2,-0.3 2,-0.3 -0.969 13.4-132.5-130.3 153.7 13.7 4.4 14.7 7 10 A R E +A 16 0A 157 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.717 26.6 160.7-106.0 146.6 11.7 7.4 13.7 8 11 A Q E -A 15 0A 58 7,-1.7 7,-3.2 -2,-0.3 2,-0.5 -0.953 32.2-126.6-158.5 157.5 8.0 8.1 13.3 9 12 A E E +A 14 0A 121 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.909 26.1 177.9-106.6 122.5 5.7 11.1 13.1 10 13 A L S S- 0 0 30 3,-2.5 3,-0.5 -2,-0.5 15,-0.0 -0.965 72.7 -17.7-131.1 116.2 2.7 11.2 15.6 11 14 A N S S- 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.894 128.1 -52.6 53.6 48.2 0.3 14.2 15.6 12 15 A K S S+ 0 0 193 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.732 117.1 105.7 59.7 32.1 2.9 16.3 13.7 13 16 A T - 0 0 37 -3,-0.5 -3,-2.5 2,-0.0 2,-0.4 -0.998 69.1-122.5-133.3 140.0 5.9 15.7 16.1 14 17 A I E -A 9 0A 57 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.684 22.2-165.7 -83.2 130.1 8.9 13.4 15.4 15 18 A W E -A 8 0A 3 -7,-3.2 -7,-1.7 -2,-0.4 2,-0.5 -0.986 7.2-178.7-113.6 121.4 9.5 10.6 17.9 16 19 A E E +A 7 0A 50 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.947 21.1 157.6-123.4 107.3 12.9 8.9 17.7 17 20 A V E -A 6 0A 1 -11,-1.7 -11,-2.1 -2,-0.5 -2,-0.0 -0.853 46.1 -84.6-130.0 154.1 13.1 6.1 20.3 18 21 A P E > -A 5 0A 2 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.292 42.8-112.5 -57.0 149.0 15.0 2.9 20.9 19 22 A E T 3 S+ 0 0 109 -15,-2.0 22,-0.1 1,-0.3 -14,-0.1 0.710 110.1 76.3 -55.1 -28.9 13.7 -0.3 19.1 20 23 A R T 3 S+ 0 0 45 -16,-0.2 21,-2.8 20,-0.1 2,-0.6 0.791 83.6 75.0 -53.5 -31.4 12.7 -1.7 22.5 21 24 A Y E < +B 40 0B 1 -3,-1.9 2,-0.3 19,-0.2 19,-0.2 -0.784 67.8 172.2 -91.8 120.6 9.7 0.6 22.6 22 25 A Q E +B 39 0B 70 17,-2.7 17,-2.9 -2,-0.6 -2,-0.0 -0.803 46.6 31.1-127.4 162.0 6.9 -0.5 20.3 23 26 A N E - 0 0 118 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.887 69.5-168.9 55.1 49.1 3.3 0.4 19.5 24 27 A L E + 0 0 16 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.494 10.2 173.7 -65.0 129.4 3.6 4.1 20.2 25 28 A S E -B 37 0B 53 12,-1.8 12,-2.5 -2,-0.2 -15,-0.0 -0.989 34.5-106.9-137.9 136.5 0.2 5.9 20.4 26 29 A P E +B 36 0B 54 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.322 36.1 169.2 -67.5 144.7 -0.4 9.5 21.4 27 30 A V E - 0 0 97 8,-2.5 2,-0.3 1,-0.4 9,-0.2 0.524 59.3 -31.3-124.2 -21.7 -2.0 10.2 24.8 28 31 A G E -B 35 0B 34 7,-1.4 7,-2.9 2,-0.0 -1,-0.4 -0.959 47.3-165.7 175.4 165.8 -1.6 14.0 25.3 29 32 A S E +B 34 0B 89 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.960 10.0 161.2-157.1 173.0 0.4 17.1 24.8 30 33 A G E > -B 33 0B 35 3,-1.9 3,-0.5 -2,-0.3 139,-0.2 -0.926 60.9 -55.5-172.0-166.6 0.8 20.7 25.9 31 34 A A T 3 S+ 0 0 52 -2,-0.3 138,-0.2 1,-0.2 137,-0.1 0.817 129.7 39.8 -57.4 -37.6 3.4 23.6 25.8 32 35 A Y T 3 S- 0 0 27 136,-2.7 21,-2.7 1,-0.1 2,-0.3 0.587 122.7 -36.9 -94.2 -13.8 6.2 21.6 27.4 33 36 A G E < -BC 30 52B 0 -3,-0.5 -3,-1.9 135,-0.4 2,-0.3 -0.995 48.4-103.0 177.5-174.7 5.9 18.2 25.8 34 37 A S E -BC 29 51B 22 17,-1.9 17,-2.7 -2,-0.3 2,-0.4 -0.981 24.0-146.3-137.9 145.8 3.9 15.3 24.4 35 38 A V E -BC 28 50B 11 -7,-2.9 -8,-2.5 -2,-0.3 -7,-1.4 -0.916 12.7-174.9-115.5 139.6 3.2 11.8 25.9 36 39 A C E -BC 26 49B 1 13,-2.3 13,-2.8 -2,-0.4 2,-0.3 -0.986 20.5-133.7-125.7 144.4 2.8 8.5 24.1 37 40 A A E +BC 25 48B 4 -12,-2.5 -12,-1.8 -2,-0.3 2,-0.3 -0.653 37.6 163.1 -82.9 151.6 1.8 5.0 25.4 38 41 A A E - C 0 47B 0 9,-2.2 9,-2.7 -2,-0.3 2,-0.5 -0.954 40.3-109.6-157.4 171.7 4.0 2.1 24.4 39 42 A F E -BC 22 46B 76 -17,-2.9 -17,-2.7 -2,-0.3 2,-0.9 -0.977 24.7-146.7-108.4 120.0 5.0 -1.4 25.0 40 43 A D E >> -BC 21 45B 0 5,-2.8 4,-2.2 -2,-0.5 5,-0.5 -0.823 9.6-167.8 -85.8 106.2 8.5 -1.9 26.4 41 44 A T T 45S+ 0 0 76 -21,-2.8 -1,-0.1 -2,-0.9 -20,-0.1 0.685 82.0 58.2 -68.3 -20.8 9.7 -5.2 24.9 42 45 A K T 45S+ 0 0 142 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.0 0.944 122.8 19.0 -75.2 -51.5 12.7 -5.4 27.3 43 46 A T T 45S- 0 0 36 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.625 98.3-127.1 -92.9 -18.6 10.8 -5.2 30.6 44 47 A G T <5 + 0 0 46 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.678 64.5 134.0 76.3 19.0 7.4 -6.3 29.3 45 48 A L E < -C 40 0B 43 -5,-0.5 -5,-2.8 59,-0.0 2,-0.4 -0.750 62.8-120.5 -99.7 144.5 5.8 -3.3 30.9 46 49 A R E -C 39 0B 120 -2,-0.3 59,-2.7 -7,-0.2 2,-0.3 -0.752 46.0-168.6 -74.3 133.1 3.3 -0.9 29.3 47 50 A V E -CD 38 104B 0 -9,-2.7 -9,-2.2 -2,-0.4 2,-0.4 -0.773 26.4-138.8-128.6 160.8 5.0 2.5 29.5 48 51 A A E -CD 37 103B 13 55,-3.0 55,-2.5 -2,-0.3 2,-0.5 -0.973 20.2-161.8-118.3 137.7 4.3 6.2 29.1 49 52 A V E -CD 36 102B 1 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.6 -0.991 3.2-160.0-127.6 116.4 7.0 8.2 27.3 50 53 A K E -CD 35 101B 19 51,-2.6 51,-2.6 -2,-0.5 2,-0.6 -0.915 3.2-160.8 -94.9 119.1 7.1 12.0 27.5 51 54 A K E -CD 34 100B 33 -17,-2.7 -17,-1.9 -2,-0.6 49,-0.2 -0.911 21.5-133.0 -91.7 114.7 9.1 13.8 24.8 52 55 A L E -C 33 0B 7 47,-2.3 2,-0.7 -2,-0.6 47,-0.4 -0.432 17.7-121.2 -68.9 141.1 10.0 17.3 26.0 53 56 A S S S- 0 0 35 -21,-2.7 4,-0.2 1,-0.3 -1,-0.1 -0.784 79.7 -30.6 -91.3 114.4 9.3 20.1 23.6 54 57 A R S > S- 0 0 173 -2,-0.7 3,-1.5 1,-0.1 -1,-0.3 0.919 73.8-169.2 44.1 62.7 12.5 22.1 22.7 55 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.681 79.0 39.4 -60.2 -20.6 14.0 21.4 26.2 56 59 A F T 3 S+ 0 0 23 41,-0.3 -2,-0.1 1,-0.1 279,-0.1 -0.155 76.7 113.7-120.9 38.1 16.9 24.0 25.7 57 60 A Q S < S+ 0 0 95 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.1 0.770 88.0 6.7 -75.9 -31.3 15.1 26.8 23.9 58 61 A S S > S- 0 0 34 -4,-0.2 4,-2.5 -3,-0.2 5,-0.1 -0.870 79.1-104.8-139.5 172.5 15.5 29.2 26.8 59 62 A I H > S+ 0 0 84 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.923 122.8 53.7 -62.2 -46.7 17.3 29.4 30.2 60 63 A I H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 113.2 42.5 -54.0 -48.6 13.9 28.8 31.9 61 64 A H H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 113.7 50.7 -66.0 -46.3 13.3 25.7 29.7 62 65 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.901 112.9 45.9 -60.5 -42.2 16.9 24.3 30.1 63 66 A K H X S+ 0 0 34 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.887 112.5 51.6 -68.5 -40.3 16.8 24.7 33.9 64 67 A R H X S+ 0 0 68 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.881 108.8 50.8 -58.8 -43.3 13.3 23.1 33.9 65 68 A T H X S+ 0 0 7 -4,-2.4 4,-2.2 -10,-0.4 -2,-0.2 0.941 113.6 44.6 -63.0 -45.4 14.6 20.2 31.9 66 69 A Y H X S+ 0 0 17 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.936 113.1 51.9 -59.5 -49.6 17.5 19.7 34.3 67 70 A R H X S+ 0 0 70 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.919 110.4 47.8 -53.3 -51.3 15.2 20.0 37.3 68 71 A E H X S+ 0 0 31 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.930 113.9 45.7 -59.5 -48.9 12.8 17.4 36.0 69 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.907 113.5 50.1 -63.3 -43.0 15.5 14.9 35.2 70 73 A R H X S+ 0 0 38 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.932 114.1 45.2 -57.5 -47.8 17.2 15.5 38.6 71 74 A L H X S+ 0 0 47 -4,-2.8 4,-1.9 -5,-0.2 3,-0.3 0.954 114.5 47.6 -61.4 -50.5 13.8 15.0 40.4 72 75 A L H < S+ 0 0 23 -4,-2.8 11,-0.7 1,-0.2 -1,-0.2 0.857 109.8 52.3 -64.0 -40.1 12.8 11.9 38.5 73 76 A K H < S+ 0 0 39 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.840 111.2 49.4 -59.3 -35.6 16.2 10.3 38.9 74 77 A H H < S+ 0 0 35 -4,-1.5 2,-0.4 -3,-0.3 244,-0.2 0.843 86.2 99.5 -73.3 -37.1 16.0 10.8 42.7 75 78 A M < + 0 0 14 -4,-1.9 8,-0.4 -5,-0.1 2,-0.1 -0.401 35.1 156.0 -62.7 109.7 12.4 9.4 43.1 76 79 A K + 0 0 157 -2,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.593 31.5 114.8-135.4 71.1 12.6 5.8 44.4 77 80 A H > - 0 0 14 3,-0.3 3,-1.8 4,-0.2 57,-0.0 -0.999 66.6-127.6-146.9 138.2 9.2 5.2 46.2 78 81 A E T 3 S+ 0 0 130 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.741 111.5 46.9 -54.8 -36.2 6.2 2.9 45.5 79 82 A N T 3 S+ 0 0 4 83,-0.1 84,-2.1 2,-0.1 2,-0.3 0.082 106.7 67.8 -95.6 20.0 3.7 5.8 45.6 80 83 A V B < S-f 163 0C 5 -3,-1.8 -3,-0.3 82,-0.3 84,-0.2 -0.989 95.0 -89.2-137.0 144.9 5.7 8.1 43.4 81 84 A I - 0 0 27 82,-2.7 2,-0.4 -2,-0.3 -4,-0.2 -0.216 42.4-154.6 -42.0 129.9 6.6 8.0 39.7 82 85 A G - 0 0 20 -6,-0.1 2,-0.8 -4,-0.1 22,-0.4 -0.927 17.9-118.4-109.3 145.7 9.8 6.1 39.0 83 86 A L + 0 0 13 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.753 28.9 177.7 -80.1 110.3 12.1 6.7 35.9 84 87 A L S S- 0 0 16 18,-2.3 2,-0.3 -2,-0.8 19,-0.2 0.874 70.7 -13.6 -72.4 -38.4 12.2 3.4 34.0 85 88 A D E -E 102 0B 19 17,-1.2 17,-3.1 -3,-0.1 2,-0.4 -0.985 50.9-160.6-161.3 147.3 14.4 5.0 31.3 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.988 28.6 164.2-130.9 137.9 15.7 8.4 30.0 87 90 A F E -E 100 0B 14 13,-2.2 13,-2.5 -2,-0.4 -2,-0.0 -0.983 24.8-167.0-150.3 164.0 17.1 8.6 26.5 88 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.979 27.2-134.8-144.2 143.2 18.1 10.9 23.7 89 92 A P S S+ 0 0 17 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.622 73.0 114.7 -72.0 -11.4 18.9 10.0 20.0 90 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.352 53.8-160.1 -63.8 135.8 22.0 12.3 20.2 91 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.474 75.9 12.2 -93.3 -7.9 25.4 10.6 19.9 92 95 A S S S- 0 0 38 1,-0.1 3,-0.4 0, 0.0 -1,-0.1 -0.959 82.3-100.0-154.4 171.4 27.3 13.5 21.6 93 96 A L S > S+ 0 0 55 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.809 116.0 64.9 -60.6 -35.2 26.7 16.8 23.6 94 97 A E T 3 S+ 0 0 162 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.857 111.1 34.1 -60.0 -40.2 27.1 18.8 20.4 95 98 A E T 3 S+ 0 0 96 -3,-0.4 2,-0.9 -6,-0.0 -1,-0.3 0.159 87.7 127.3 -99.6 18.7 24.0 17.3 18.8 96 99 A F < + 0 0 0 -3,-1.3 243,-0.1 1,-0.2 3,-0.1 -0.679 16.6 128.0 -85.9 104.3 22.0 17.0 22.1 97 100 A N + 0 0 82 -2,-0.9 2,-0.4 1,-0.1 -41,-0.3 0.419 53.9 65.2-129.4 -4.7 18.7 18.7 21.6 98 101 A D - 0 0 47 -3,-0.2 2,-0.4 -44,-0.1 -8,-0.3 -0.976 49.8-170.0-136.5 139.3 16.0 16.1 22.8 99 102 A V - 0 0 1 -2,-0.4 -47,-2.3 -47,-0.4 2,-0.4 -0.997 2.9-171.0-132.7 127.6 15.0 14.4 26.0 100 103 A Y E -DE 51 87B 4 -13,-2.5 -13,-2.2 -2,-0.4 2,-0.4 -0.968 6.5-160.5-120.4 134.7 12.6 11.5 26.4 101 104 A L E -DE 50 86B 8 -51,-2.6 -51,-2.6 -2,-0.4 2,-0.4 -0.965 6.4-159.7-122.6 126.4 11.4 10.3 29.9 102 105 A V E +DE 49 85B 1 -17,-3.1 -18,-2.3 -2,-0.4 -17,-1.2 -0.887 19.0 153.9-114.5 132.7 9.9 6.8 30.4 103 106 A T E -D 48 0B 22 -55,-2.5 -55,-3.0 -2,-0.4 -20,-0.1 -0.918 48.4 -68.6-141.5 173.9 7.7 5.5 33.2 104 107 A H E -D 47 0B 68 -22,-0.4 2,-0.7 -2,-0.3 -57,-0.3 -0.342 39.6-129.9 -59.6 137.0 5.1 2.9 33.9 105 108 A L - 0 0 59 -59,-2.7 -59,-0.2 1,-0.1 -1,-0.1 -0.872 25.1-171.3 -87.0 112.6 1.6 3.3 32.2 106 109 A M - 0 0 30 -2,-0.7 51,-0.3 50,-0.1 -1,-0.1 0.851 30.0-123.4 -80.3 -38.5 -0.7 2.9 35.3 107 110 A G S S+ 0 0 65 49,-0.1 2,-0.3 50,-0.1 49,-0.2 -0.302 75.0 21.8 127.5 -47.3 -4.1 2.7 33.4 108 111 A A E -G 155 0C 28 47,-1.3 47,-3.1 4,-0.0 2,-0.2 -0.949 61.9-132.0-144.6 160.0 -6.2 5.5 35.0 109 112 A D E > -G 154 0C 38 -2,-0.3 4,-1.4 45,-0.3 3,-0.2 -0.594 41.2-100.0-101.1 177.0 -5.9 8.8 36.9 110 113 A L H > S+ 0 0 1 40,-1.8 4,-2.5 43,-1.5 5,-0.2 0.745 120.1 62.7 -74.2 -24.9 -7.9 9.6 40.0 111 114 A N H > S+ 0 0 55 39,-0.3 4,-2.4 42,-0.2 -1,-0.2 0.899 103.9 50.0 -57.3 -45.9 -10.5 11.7 37.9 112 115 A N H > S+ 0 0 63 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 111.4 49.4 -54.2 -49.1 -11.4 8.5 36.1 113 116 A I H X S+ 0 0 6 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.924 113.5 42.7 -62.4 -51.9 -11.8 6.7 39.4 114 117 A V H < S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 119.5 45.6 -62.9 -40.3 -14.1 9.4 41.1 115 118 A K H < S+ 0 0 150 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.954 122.8 30.8 -60.4 -53.1 -16.2 9.8 37.9 116 119 A C H < S+ 0 0 93 -4,-2.7 2,-0.3 -5,-0.2 -2,-0.2 0.493 116.2 39.7-100.0 -11.4 -16.7 6.1 37.0 117 120 A Q S < S- 0 0 103 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.1 -0.999 71.9-121.9-142.1 142.3 -16.7 4.1 40.2 118 121 A K - 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0 0 33 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.361 28.2-145.3 -58.9 135.2 -15.3 18.9 44.0 219 222 A L S S+ 0 0 31 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.926 90.3 17.7 -70.4 -48.9 -14.9 20.6 47.3 220 223 A F + 0 0 3 -36,-0.3 2,-2.3 2,-0.1 -1,-0.2 -0.614 67.7 170.1-128.3 68.2 -14.2 24.2 46.0 221 224 A P - 0 0 34 0, 0.0 -40,-0.1 0, 0.0 -36,-0.0 -0.418 21.5-175.8 -79.7 67.7 -15.3 24.4 42.4 222 225 A G - 0 0 0 -2,-2.3 -42,-0.4 1,-0.1 -39,-0.1 -0.313 31.8-142.0 -69.2 145.3 -14.9 28.2 42.2 223 226 A T S S- 0 0 71 -44,-0.2 2,-0.3 1,-0.1 -44,-0.2 0.524 86.1 -10.7 -79.8 -11.8 -16.0 30.0 39.1 224 227 A D S > S- 0 0 64 -47,-0.1 4,-2.7 -46,-0.1 5,-0.2 -0.929 89.6 -77.1-167.5 178.1 -12.9 32.2 39.5 225 228 A H H > S+ 0 0 53 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.860 127.1 42.6 -51.7 -44.3 -10.2 33.1 42.1 226 229 A I H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 113.8 48.9 -78.2 -45.0 -12.5 35.2 44.3 227 230 A D H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 112.5 50.7 -57.1 -44.6 -15.5 32.9 44.2 228 231 A Q H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.886 109.1 50.3 -61.2 -45.1 -13.2 30.0 45.1 229 232 A L H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.910 109.6 52.2 -55.0 -46.3 -11.8 32.0 48.0 230 233 A K H X S+ 0 0 113 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.905 109.0 48.9 -59.0 -44.5 -15.4 32.7 49.2 231 234 A L H X S+ 0 0 61 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.908 113.4 48.5 -58.4 -46.8 -16.2 29.0 49.0 232 235 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.910 112.4 46.4 -56.9 -51.1 -13.1 28.2 51.0 233 236 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.742 105.9 60.2 -72.1 -23.7 -13.8 30.9 53.7 234 237 A R H < S+ 0 0 160 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.887 114.9 36.0 -63.4 -41.0 -17.4 29.8 54.0 235 238 A L H < S+ 0 0 9 -4,-1.4 30,-3.0 -3,-0.2 -2,-0.2 0.919 130.3 27.6 -77.6 -51.8 -16.2 26.3 55.1 236 239 A V H < S- 0 0 20 -4,-2.6 28,-0.3 28,-0.2 52,-0.2 0.523 110.1-115.1 -93.8 -7.6 -13.0 27.1 57.1 237 240 A G < - 0 0 4 -4,-1.3 -1,-0.2 26,-0.4 -3,-0.1 -0.009 38.2 -64.4 88.8 158.9 -14.0 30.6 58.4 238 241 A T - 0 0 27 24,-2.3 26,-0.1 1,-0.1 50,-0.1 -0.491 66.1 -92.4 -73.3 150.4 -12.4 34.0 57.7 239 242 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.320 35.4-135.1 -69.5 148.4 -8.9 34.5 59.0 240 243 A G > - 0 0 44 -3,-0.1 4,-2.2 21,-0.0 3,-0.4 -0.345 37.5 -86.8 -88.5 179.0 -8.1 35.9 62.4 241 244 A A H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.810 123.8 60.1 -58.2 -38.8 -5.5 38.6 63.2 242 245 A E H > S+ 0 0 109 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.922 111.0 39.3 -55.4 -50.0 -2.7 36.0 63.6 243 246 A L H >> S+ 0 0 10 -3,-0.4 4,-0.7 2,-0.2 3,-0.7 0.899 111.1 58.9 -70.5 -40.4 -3.0 34.7 60.0 244 247 A L H >< S+ 0 0 27 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.888 101.5 55.7 -54.7 -43.9 -3.6 38.3 58.6 245 248 A K H 3< S+ 0 0 179 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.825 104.4 54.3 -53.6 -37.7 -0.2 39.3 60.0 246 249 A K H << S+ 0 0 61 -4,-0.8 2,-1.2 -3,-0.7 -1,-0.2 0.619 82.2 95.5 -76.5 -15.9 1.5 36.5 58.1 247 250 A I << - 0 0 0 -3,-1.1 -52,-0.2 -4,-0.7 6,-0.1 -0.682 53.9-177.9 -78.3 98.6 -0.0 37.6 54.7 248 251 A S + 0 0 79 -2,-1.2 2,-1.0 -54,-0.8 -53,-0.2 0.706 58.3 92.2 -77.1 -22.9 2.9 39.7 53.5 249 252 A S > - 0 0 39 -55,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.674 63.1-164.5 -67.8 102.8 1.1 40.7 50.3 250 253 A E H > S+ 0 0 140 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.811 87.6 53.5 -59.5 -33.5 -0.4 44.0 51.6 251 254 A S H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 111.1 43.9 -69.6 -46.5 -2.9 44.0 48.6 252 255 A A H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.887 113.6 52.0 -62.5 -43.1 -4.1 40.5 49.4 253 256 A R H X S+ 0 0 69 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.911 107.6 52.7 -58.9 -46.6 -4.4 41.3 53.1 254 257 A N H X S+ 0 0 107 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.875 109.9 48.4 -57.1 -44.7 -6.4 44.5 52.4 255 258 A Y H >< S+ 0 0 79 -4,-1.7 3,-1.1 2,-0.2 4,-0.5 0.911 108.9 50.6 -64.5 -45.2 -8.9 42.5 50.3 256 259 A I H >< S+ 0 0 6 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.876 105.9 57.4 -66.5 -36.4 -9.5 39.7 52.8 257 260 A Q H 3< S+ 0 0 109 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.676 96.3 65.2 -63.5 -20.8 -10.2 42.3 55.5 258 261 A S T << S+ 0 0 80 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.710 86.2 93.5 -69.7 -23.2 -13.0 43.7 53.3 259 262 A L S < S- 0 0 32 -3,-1.3 2,-0.2 -4,-0.5 3,-0.1 -0.429 87.3-106.4 -75.4 149.0 -15.0 40.4 53.7 260 263 A T - 0 0 123 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.532 46.2-103.9 -70.7 135.3 -17.6 39.9 56.4 261 264 A Q - 0 0 164 -2,-0.2 -1,-0.1 -4,-0.1 -21,-0.0 -0.362 42.1-173.4 -70.1 139.9 -16.3 37.6 59.1 262 265 A M - 0 0 61 -29,-0.1 -24,-2.3 -3,-0.1 2,-0.1 -0.987 18.3-125.5-133.7 142.7 -17.6 34.0 59.0 263 266 A P - 0 0 105 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.420 38.0 -89.3 -81.7 163.8 -17.1 31.2 61.4 264 267 A K - 0 0 99 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.443 49.2-119.9 -63.1 144.0 -15.7 27.7 60.5 265 268 A M - 0 0 62 -30,-3.0 2,-0.8 -2,-0.1 -1,-0.1 -0.404 24.6 -99.1 -83.7 161.7 -18.5 25.3 59.5 266 269 A N > - 0 0 94 1,-0.2 3,-0.6 -2,-0.1 4,-0.3 -0.795 31.9-158.5 -76.5 114.8 -19.4 22.1 61.2 267 270 A F T 3> S+ 0 0 1 -2,-0.8 4,-3.1 1,-0.2 3,-0.4 0.728 88.8 62.8 -72.1 -25.5 -17.7 19.5 58.9 268 271 A A T 34 S+ 0 0 51 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.788 104.5 49.5 -66.7 -29.5 -20.0 16.7 60.1 269 272 A N T <4 S+ 0 0 118 -3,-0.6 3,-0.2 3,-0.1 -1,-0.2 0.514 115.5 42.9 -82.4 -11.6 -22.8 18.7 58.6 270 273 A V T 4 S+ 0 0 50 -3,-0.4 2,-1.5 -4,-0.3 -2,-0.2 0.846 118.8 41.5 -90.4 -56.0 -20.9 19.2 55.3 271 274 A F S >< S- 0 0 7 -4,-3.1 3,-2.0 -5,-0.0 -1,-0.1 -0.437 89.9-167.0 -92.0 64.5 -19.6 15.6 55.0 272 275 A I T 3 + 0 0 128 -2,-1.5 -3,-0.1 1,-0.3 -4,-0.1 -0.249 67.9 5.1 -60.3 127.2 -22.9 14.0 56.1 273 276 A G T 3 S+ 0 0 81 -5,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.443 94.3 137.4 78.9 2.8 -22.5 10.3 56.9 274 277 A A S < S- 0 0 25 -3,-2.0 -1,-0.3 -6,-0.2 5,-0.1 -0.462 70.8 -81.1 -77.3 152.1 -18.7 10.1 56.5 275 278 A N >> - 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0 0 39 -2,-1.1 6,-0.1 -3,-0.3 -83,-0.1 -0.873 51.4-141.7-101.6 132.0 -6.8 24.7 58.0 288 291 A L S S+ 0 0 15 -2,-0.4 2,-0.7 -52,-0.2 -99,-0.2 0.902 87.9 71.7 -63.3 -42.4 -6.4 28.2 56.5 289 292 A D S > S- 0 0 11 1,-0.2 3,-1.2 3,-0.1 4,-0.3 -0.678 72.3-156.8 -77.9 115.0 -3.1 28.9 58.3 290 293 A S T 3 S+ 0 0 4 -2,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.669 90.4 64.3 -70.1 -21.9 -0.5 26.7 56.6 291 294 A D T 3 S+ 0 0 101 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.0 0.778 106.1 46.4 -61.7 -30.9 1.8 26.8 59.8 292 295 A K S < S+ 0 0 116 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.358 87.0 112.4-100.1 2.2 -1.1 24.9 61.6 293 296 A R S S- 0 0 8 -3,-0.4 -8,-0.2 -4,-0.3 2,-0.1 -0.439 75.6-103.5 -69.4 149.3 -1.9 22.2 59.0 294 297 A I - 0 0 20 -10,-1.7 2,-0.1 -13,-0.2 -1,-0.1 -0.440 37.0-129.5 -66.4 143.0 -1.1 18.6 59.7 295 298 A T > - 0 0 34 -2,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.431 22.9-106.2 -87.0 171.3 2.0 17.2 57.9 296 299 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -160,-0.2 0.929 121.4 48.4 -63.4 -45.8 2.1 14.1 55.8 297 300 A A H > S+ 0 0 49 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.896 113.5 47.5 -64.3 -42.2 4.1 12.2 58.6 298 301 A Q H >4 S+ 0 0 113 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.944 111.4 51.0 -57.3 -52.6 1.6 13.4 61.3 299 302 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 6,-0.3 0.810 100.9 62.2 -59.7 -34.3 -1.4 12.4 59.1 300 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.776 102.8 50.7 -62.0 -29.7 -0.1 8.9 58.5 301 304 A A T << S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.461 85.8 118.6 -82.9 -5.9 -0.3 8.2 62.2 302 305 A H S X S- 0 0 22 -3,-1.3 3,-1.6 -4,-0.3 7,-0.1 -0.329 77.5-117.6 -61.2 144.0 -4.0 9.4 62.3 303 306 A A G > S+ 0 0 58 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.656 107.5 75.0 -60.0 -18.5 -6.5 6.8 63.4 304 307 A Y G 3 S+ 0 0 5 -27,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.860 100.9 41.9 -61.2 -35.6 -8.3 7.0 60.0 305 308 A F G X> S+ 0 0 0 -3,-1.6 4,-3.0 -6,-0.3 3,-1.9 0.131 76.2 121.5 -98.9 19.1 -5.3 5.0 58.5 306 309 A A T <4 S+ 0 0 71 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.796 73.4 54.7 -52.6 -34.8 -5.0 2.4 61.4 307 310 A Q T 34 S+ 0 0 164 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.653 122.3 26.8 -71.1 -20.0 -5.6 -0.5 59.0 308 311 A Y T <4 S+ 0 0 79 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.1 0.665 89.6 112.7-112.8 -29.4 -2.8 0.6 56.6 309 312 A H < + 0 0 63 -4,-3.0 5,-0.1 -7,-0.1 -8,-0.1 -0.276 29.9 165.5 -60.2 125.0 -0.3 2.5 58.8 310 313 A D > - 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