==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-APR-12 4EHV . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.OVER,C.GRUETTER,H.WALDMANN,D.RAUH . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 62.9 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 12.2 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 . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.5 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+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 2 0 0 1 0 1 0 1 1 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 1 2 0 1 2 1 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 . 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 5 A R 0 0 143 0, 0.0 3,-0.0 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 134.9 24.5 2.7 7.7 2 6 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.291 360.0 -99.6 -71.3 161.9 24.1 4.1 11.2 3 7 A T - 0 0 96 -2,-0.0 15,-2.4 1,-0.0 2,-0.3 -0.732 43.0-153.1 -80.1 128.1 26.3 3.1 14.2 4 8 A F E -A 17 0A 28 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.683 9.0-162.0-100.1 155.4 24.7 0.5 16.2 5 9 A Y E -A 16 0A 46 11,-2.3 11,-1.9 -2,-0.3 2,-0.3 -0.977 10.4-135.9-135.3 155.9 25.1 -0.3 19.9 6 10 A R E +A 15 0A 160 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.820 24.3 162.5-112.7 145.1 24.2 -3.4 22.0 7 11 A Q E -A 14 0A 54 7,-1.8 7,-3.4 -2,-0.3 2,-0.6 -0.969 31.9-126.1-155.7 151.0 22.6 -3.9 25.4 8 12 A E E +A 13 0A 157 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.882 28.3 172.5-102.2 119.2 20.9 -6.7 27.3 9 13 A L E > -A 12 0A 29 3,-2.4 3,-1.4 -2,-0.6 2,-0.1 -0.991 63.3 -36.0-128.0 122.3 17.4 -6.0 28.7 10 14 A N T 3 S- 0 0 116 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.448 123.7 -25.8 61.8-135.0 15.5 -8.9 30.2 11 15 A K T 3 S+ 0 0 205 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.588 124.2 80.8 -79.4 -9.2 16.3 -12.2 28.4 12 16 A T E < -A 9 0A 34 -3,-1.4 -3,-2.4 2,-0.0 2,-0.5 -0.759 69.4-133.8-118.0 143.8 17.1 -10.4 25.1 13 17 A I E -A 8 0A 65 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.799 23.6-156.8 -88.9 125.1 20.0 -8.6 23.4 14 18 A W E -A 7 0A 2 -7,-3.4 -7,-1.8 -2,-0.5 2,-0.5 -0.909 10.2-174.4-105.6 125.2 18.9 -5.3 21.8 15 19 A E E +A 6 0A 38 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.942 22.0 157.2-121.6 107.1 21.0 -3.9 18.9 16 20 A V E -A 5 0A 0 -11,-1.9 -11,-2.3 -2,-0.5 -2,-0.0 -0.869 45.8 -88.5-130.5 157.8 19.8 -0.5 17.8 17 21 A P E > -A 4 0A 6 0, 0.0 3,-2.1 0, 0.0 -13,-0.2 -0.326 40.9-114.2 -63.0 150.8 21.1 2.7 16.0 18 22 A E T 3 S+ 0 0 97 -15,-2.4 22,-0.1 1,-0.3 -14,-0.1 0.672 108.7 83.6 -62.8 -15.8 22.6 5.3 18.3 19 23 A R T 3 S+ 0 0 56 -16,-0.2 21,-2.6 20,-0.1 2,-0.5 0.840 84.1 64.7 -48.5 -39.2 19.6 7.5 17.3 20 24 A Y E < S+B 39 0B 0 -3,-2.1 2,-0.3 19,-0.2 19,-0.2 -0.834 73.0 179.4-100.8 123.8 17.6 5.7 20.0 21 25 A Q E +B 38 0B 73 17,-2.5 17,-3.1 -2,-0.5 -2,-0.0 -0.794 49.6 22.7-124.4 159.8 18.7 6.3 23.6 22 26 A N E S- 0 0 141 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.898 71.8-160.3 52.3 51.5 17.8 5.3 27.1 23 27 A L E - 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.384 11.0-175.8 -62.4 133.3 15.9 2.2 26.2 24 28 A S E -B 36 0B 64 12,-2.4 12,-3.2 -2,-0.1 -15,-0.0 -0.979 27.0-117.0-138.0 123.0 13.5 1.1 29.0 25 29 A P E +B 35 0B 54 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.318 32.8 170.7 -60.1 132.8 11.4 -2.1 28.9 26 30 A V E - 0 0 77 8,-2.4 2,-0.3 1,-0.4 9,-0.2 0.524 54.9 -78.9-116.8 -13.9 7.6 -1.4 29.0 27 31 A G E -B 34 0B 32 7,-1.1 7,-2.8 140,-0.0 -1,-0.4 -0.844 41.5 -91.7 142.2-177.3 6.4 -5.0 28.3 28 32 A S E -B 33 0B 81 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.940 19.7-161.0-134.2 153.4 5.8 -7.7 25.7 29 33 A G - 0 0 25 3,-3.5 138,-0.1 -2,-0.3 3,-0.1 -0.405 46.8 -87.2-110.7-165.9 3.0 -8.8 23.4 30 34 A A S S+ 0 0 87 136,-0.3 3,-0.1 1,-0.2 137,-0.1 0.806 126.9 41.0 -72.6 -29.1 2.5 -12.1 21.6 31 35 A Y S S- 0 0 96 1,-0.2 21,-2.0 20,-0.1 2,-0.3 0.450 126.1 -32.0-104.5 -2.2 4.5 -10.9 18.6 32 36 A G E - C 0 51B 0 19,-0.3 -3,-3.5 -3,-0.1 2,-0.3 -0.956 59.2 -88.5 168.4 173.6 7.4 -9.1 20.4 33 37 A S E -BC 28 50B 23 17,-1.8 17,-2.6 -2,-0.3 2,-0.4 -0.810 34.8-146.1-110.6 156.3 8.8 -7.1 23.2 34 38 A V E -BC 27 49B 9 -7,-2.8 -8,-2.4 -2,-0.3 -7,-1.1 -0.958 10.7-169.0-129.8 133.9 8.8 -3.3 23.4 35 39 A C E -BC 25 48B 2 13,-2.6 13,-3.3 -2,-0.4 2,-0.3 -0.962 22.6-130.1-115.3 141.3 11.1 -0.7 24.9 36 40 A A E +BC 24 47B 17 -12,-3.2 -12,-2.4 -2,-0.4 2,-0.3 -0.681 38.1 176.5 -77.7 142.6 10.4 3.0 25.4 37 41 A A E - C 0 46B 4 9,-2.4 9,-2.8 -2,-0.3 2,-0.6 -0.983 35.4-112.9-146.5 158.2 13.2 5.1 24.0 38 42 A F E -BC 21 45B 83 -17,-3.1 -17,-2.5 -2,-0.3 2,-0.9 -0.851 28.9-145.4 -91.7 121.6 14.3 8.7 23.4 39 43 A D E > -B 20 0B 0 5,-2.9 4,-2.8 -2,-0.6 3,-0.5 -0.781 8.9-165.8 -89.2 105.2 14.5 9.5 19.6 40 44 A T T 4 S+ 0 0 77 -21,-2.6 -1,-0.2 -2,-0.9 -20,-0.1 0.755 85.3 58.0 -62.9 -24.7 17.4 11.9 19.1 41 45 A K T 4 S+ 0 0 152 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.893 123.9 17.6 -72.0 -38.4 16.1 12.7 15.6 42 46 A T T 4 S- 0 0 69 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.594 93.1-125.5-110.6 -17.7 12.7 13.9 16.5 43 47 A G < + 0 0 42 -4,-2.8 2,-0.2 1,-0.3 -3,-0.1 0.503 69.9 129.9 76.9 6.1 13.0 14.6 20.3 44 48 A L - 0 0 71 -5,-0.4 -5,-2.9 -6,-0.0 2,-0.5 -0.542 66.4-116.9 -91.5 154.4 10.0 12.3 20.8 45 49 A R E -C 38 0B 175 -7,-0.2 59,-1.4 -2,-0.2 2,-0.3 -0.791 45.7-175.0 -81.5 130.0 9.5 9.4 23.1 46 50 A V E -CD 37 103B 0 -9,-2.8 -9,-2.4 -2,-0.5 2,-0.5 -0.848 28.2-120.4-127.8 161.9 9.1 6.3 20.9 47 51 A A E -CD 36 102B 8 55,-2.9 55,-2.3 -2,-0.3 2,-0.6 -0.925 21.3-160.6-101.4 123.3 8.3 2.6 21.2 48 52 A V E -CD 35 101B 0 -13,-3.3 -13,-2.6 -2,-0.5 2,-0.6 -0.941 10.1-164.8-103.4 120.0 10.9 0.3 19.8 49 53 A K E -CD 34 100B 8 51,-3.3 51,-2.7 -2,-0.6 2,-0.7 -0.922 8.0-162.5-113.0 117.6 9.4 -3.2 19.1 50 54 A K E -CD 33 99B 26 -17,-2.6 -17,-1.8 -2,-0.6 49,-0.2 -0.894 24.6-129.7 -99.0 115.4 11.7 -6.2 18.6 51 55 A L E -C 32 0B 9 47,-2.3 2,-0.4 -2,-0.7 47,-0.3 -0.372 20.0-122.5 -67.8 140.8 9.8 -9.0 16.9 52 56 A S S S- 0 0 54 -21,-2.0 4,-0.1 1,-0.2 -1,-0.1 -0.710 79.2 -21.1 -87.1 131.9 10.0 -12.4 18.5 53 57 A R S > S- 0 0 169 -2,-0.4 3,-1.4 1,-0.1 4,-0.3 0.841 76.5-179.4 40.8 56.5 11.3 -15.3 16.5 54 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.782 75.3 27.0 -63.7 -27.4 10.5 -13.5 13.2 55 59 A F T 3 S+ 0 0 15 41,-0.3 -2,-0.1 1,-0.1 269,-0.1 -0.010 82.1 117.5-124.6 30.3 11.6 -16.3 10.9 56 60 A Q S < S- 0 0 116 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.1 0.795 86.0 -2.7 -63.8 -35.1 11.2 -19.4 13.0 57 61 A S S > S- 0 0 44 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.887 81.0 -91.4-150.0 173.3 8.6 -20.9 10.7 58 62 A I H > S+ 0 0 87 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.947 125.7 45.3 -60.1 -47.9 6.6 -20.2 7.5 59 63 A I H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 113.4 49.9 -69.2 -35.5 3.7 -18.7 9.4 60 64 A H H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 112.6 47.6 -60.5 -47.1 6.0 -16.6 11.6 61 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.904 114.0 46.0 -65.1 -41.1 7.9 -15.4 8.5 62 66 A K H X S+ 0 0 32 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.876 112.4 52.2 -67.7 -36.4 4.6 -14.5 6.8 63 67 A R H X S+ 0 0 44 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.895 108.8 49.8 -65.1 -41.3 3.3 -12.8 10.0 64 68 A T H X S+ 0 0 2 -4,-2.6 4,-2.3 -10,-0.4 -2,-0.2 0.930 112.4 47.5 -60.8 -47.8 6.5 -10.7 10.1 65 69 A Y H X S+ 0 0 14 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.937 112.4 49.6 -58.0 -48.3 6.0 -9.7 6.5 66 70 A R H X S+ 0 0 72 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.904 109.7 51.3 -56.0 -48.1 2.3 -8.9 7.1 67 71 A E H X S+ 0 0 25 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.924 113.5 43.7 -57.7 -48.3 3.1 -6.8 10.2 68 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.930 113.6 50.9 -66.3 -44.9 5.7 -4.7 8.3 69 73 A R H X S+ 0 0 33 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.932 113.8 44.6 -56.5 -47.7 3.5 -4.4 5.2 70 74 A L H X S+ 0 0 40 -4,-2.8 4,-1.5 -5,-0.2 3,-0.4 0.937 114.1 48.5 -64.4 -45.7 0.6 -3.2 7.2 71 75 A L H < S+ 0 0 5 -4,-2.6 11,-0.8 1,-0.2 3,-0.2 0.894 109.2 53.4 -63.4 -39.1 2.6 -0.8 9.4 72 76 A K H < S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.788 109.9 50.9 -64.1 -28.3 4.3 0.7 6.2 73 77 A H H < S+ 0 0 29 -4,-1.2 2,-0.5 -3,-0.4 234,-0.2 0.827 84.4 97.9 -76.4 -35.2 0.8 1.4 4.8 74 78 A M < + 0 0 20 -4,-1.5 8,-0.5 -3,-0.2 2,-0.3 -0.441 33.9 155.9 -74.4 113.2 -0.8 3.2 7.7 75 79 A K + 0 0 139 -2,-0.5 2,-0.3 6,-0.1 -1,-0.1 -0.694 34.4 109.1-132.7 79.1 -0.7 7.0 7.3 76 80 A H S > S- 0 0 21 3,-0.5 3,-1.7 -2,-0.3 57,-0.0 -0.986 70.8-120.2-157.4 143.2 -3.6 8.3 9.5 77 81 A E T 3 S+ 0 0 123 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.747 113.3 44.2 -54.8 -33.5 -4.0 10.3 12.7 78 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.4 2,-0.1 2,-0.4 0.159 104.2 72.1-106.2 16.7 -5.9 7.5 14.4 79 83 A V B < S-f 162 0C 6 -3,-1.7 -3,-0.5 82,-0.3 84,-0.2 -0.995 89.7-103.0-131.5 138.5 -3.8 4.5 13.3 80 84 A I - 0 0 5 82,-3.0 2,-0.3 -2,-0.4 -6,-0.1 -0.321 44.7-161.5 -56.9 137.6 -0.4 3.5 14.5 81 85 A G - 0 0 15 -4,-0.1 2,-0.7 -6,-0.1 22,-0.4 -0.847 20.6-105.2-124.4 162.5 2.2 4.5 12.0 82 86 A L + 0 0 13 -11,-0.8 20,-0.2 -8,-0.5 3,-0.1 -0.790 30.1 173.0 -95.5 115.4 5.8 3.5 11.2 83 87 A L S S- 0 0 19 18,-2.8 2,-0.3 -2,-0.7 19,-0.2 0.778 73.1 -14.8 -83.3 -33.4 8.5 6.0 12.2 84 88 A D E -E 101 0B 27 17,-1.4 17,-3.0 252,-0.1 -1,-0.3 -0.974 51.1-160.9-164.7 154.6 11.4 3.6 11.4 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.975 26.1 164.3-140.3 136.9 12.2 0.0 10.7 86 90 A F E -E 99 0B 14 13,-2.0 13,-2.3 -2,-0.3 -2,-0.0 -0.977 24.6-161.5-149.6 162.3 15.7 -1.4 11.1 87 91 A T - 0 0 14 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.986 24.4-137.7-140.6 143.7 17.9 -4.5 11.3 88 92 A P S S+ 0 0 16 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.611 75.1 111.3 -72.6 -11.2 21.5 -4.7 12.6 89 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.349 55.5-160.9 -64.7 140.5 22.1 -7.1 9.6 90 94 A R S S+ 0 0 168 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.504 75.3 19.7 -98.8 -8.6 24.4 -5.8 6.8 91 95 A S S > S- 0 0 31 1,-0.1 3,-0.5 0, 0.0 4,-0.3 -0.969 80.9-106.2-154.1 162.2 23.1 -8.4 4.3 92 96 A L G > S+ 0 0 56 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.855 116.2 64.9 -58.3 -36.2 20.1 -10.7 3.6 93 97 A E G 3 S+ 0 0 166 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.863 110.1 34.3 -56.7 -41.1 22.4 -13.6 4.5 94 98 A E G < S+ 0 0 105 -3,-0.5 2,-0.7 -6,-0.0 -1,-0.3 0.255 87.1 128.7 -99.4 11.6 22.7 -12.4 8.2 95 99 A F < + 0 0 0 -3,-1.3 3,-0.1 -4,-0.3 233,-0.1 -0.574 15.9 126.6 -74.8 109.6 19.1 -11.0 8.4 96 100 A N + 0 0 88 -2,-0.7 2,-0.4 1,-0.2 -41,-0.3 0.415 54.7 63.7-142.0 -4.2 17.4 -12.5 11.5 97 101 A D - 0 0 51 -43,-0.1 2,-0.4 -44,-0.1 -8,-0.3 -0.977 52.3-168.1-131.9 141.7 16.1 -9.5 13.5 98 102 A V - 0 0 0 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -0.994 3.8-170.6-129.6 123.9 13.4 -6.9 12.8 99 103 A Y E -DE 50 86B 3 -13,-2.3 -13,-2.0 -2,-0.4 2,-0.4 -0.963 4.9-161.4-115.3 137.4 12.8 -3.8 14.9 100 104 A L E -DE 49 85B 0 -51,-2.7 -51,-3.3 -2,-0.4 2,-0.5 -0.941 3.5-155.6-117.9 135.5 9.8 -1.5 14.4 101 105 A V E +DE 48 84B 0 -17,-3.0 -18,-2.8 -2,-0.4 -17,-1.4 -0.951 23.8 155.8-116.5 124.9 9.7 2.1 15.7 102 106 A T E -D 47 0B 8 -55,-2.3 -55,-2.9 -2,-0.5 -20,-0.1 -0.840 49.0 -71.0-134.2 171.5 6.3 3.9 16.4 103 107 A H E -D 46 0B 65 -22,-0.4 2,-0.7 -2,-0.3 -57,-0.2 -0.358 45.7-127.7 -59.0 143.5 4.9 6.7 18.5 104 108 A L - 0 0 65 -59,-1.4 2,-0.2 -67,-0.1 -59,-0.2 -0.908 27.0-159.8 -95.8 116.0 4.8 5.9 22.2 105 109 A M - 0 0 26 -2,-0.7 50,-0.2 1,-0.1 3,-0.1 -0.586 23.7-115.8 -93.0 158.6 1.3 6.6 23.5 106 110 A G S S- 0 0 67 -2,-0.2 2,-0.2 48,-0.1 49,-0.2 0.951 79.0 -30.4 -58.4 -56.0 0.5 7.2 27.2 107 111 A A E -G 154 0C 32 47,-2.5 47,-2.5 -3,-0.0 2,-0.3 -0.820 60.5-100.4-149.4-179.2 -1.7 4.2 27.9 108 112 A D E >> -G 153 0C 22 45,-0.3 4,-1.2 -2,-0.2 3,-0.5 -0.791 37.6-107.7-109.8 164.5 -4.2 1.7 26.4 109 113 A L H 3> S+ 0 0 2 43,-2.4 4,-1.7 40,-1.3 41,-0.2 0.653 116.4 62.9 -67.0 -16.6 -8.0 1.8 26.7 110 114 A N H 3> S+ 0 0 28 39,-0.6 4,-1.5 42,-0.3 -1,-0.2 0.918 101.4 51.5 -70.7 -43.5 -7.9 -1.2 29.1 111 115 A N H <4 S+ 0 0 94 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.856 111.5 47.9 -56.7 -39.9 -5.9 0.8 31.6 112 116 A I H >X S+ 0 0 54 -4,-1.2 4,-0.8 1,-0.2 3,-0.7 0.921 114.2 42.2 -72.4 -46.5 -8.4 3.7 31.5 113 117 A V H 3< S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.713 91.6 87.1 -75.6 -19.9 -11.7 1.7 31.8 114 118 A K T 3< S+ 0 0 154 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.343 110.0 15.7 -67.3 8.7 -10.3 -0.6 34.6 115 119 A C T <4 S+ 0 0 103 -3,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.389 123.9 55.0-144.8 -23.7 -11.2 1.9 37.3 116 120 A Q < - 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0 0 38 -2,-0.4 -9,-0.1 1,-0.1 -10,-0.0 -0.487 31.3-144.4 -60.9 129.0 -17.3 -6.1 29.7 208 222 A L S S+ 0 0 34 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.949 87.7 15.5 -66.5 -51.5 -20.4 -6.4 27.6 209 223 A F + 0 0 5 -36,-0.4 2,-1.9 2,-0.1 -1,-0.3 -0.705 69.1 177.8-127.3 79.1 -20.1 -10.2 26.8 210 224 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.407 17.0-177.0 -83.6 65.9 -17.5 -11.8 29.1 211 225 A G - 0 0 1 -2,-1.9 -38,-0.1 1,-0.1 3,-0.1 -0.360 27.3-150.2 -67.3 139.9 -17.8 -15.4 27.9 212 226 A T S S- 0 0 102 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.674 82.2 -7.8 -81.5 -21.0 -15.8 -18.1 29.6 213 227 A D S > S- 0 0 74 -41,-0.0 4,-2.4 1,-0.0 5,-0.1 -0.891 89.3 -80.6-158.0-174.8 -15.6 -20.0 26.3 214 228 A H H > S+ 0 0 117 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.797 126.2 49.0 -71.0 -29.7 -17.0 -19.9 22.8 215 229 A I H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 114.4 44.3 -72.1 -50.5 -20.3 -21.5 23.8 216 230 A D H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.888 111.0 57.8 -56.6 -41.3 -20.8 -19.2 26.7 217 231 A Q H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.931 108.5 42.8 -57.8 -49.8 -19.8 -16.3 24.5 218 232 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.889 112.5 54.7 -67.0 -38.5 -22.5 -17.0 21.9 219 233 A K H X S+ 0 0 99 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.926 108.8 47.7 -59.3 -46.0 -25.1 -17.5 24.6 220 234 A L H X S+ 0 0 34 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.912 112.5 50.1 -61.2 -43.3 -24.3 -14.1 26.2 221 235 A I H >X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.9 0.945 110.7 47.6 -59.5 -51.9 -24.5 -12.4 22.8 222 236 A L H 3X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.758 101.4 65.9 -66.2 -24.6 -27.9 -14.0 21.9 223 237 A R H 3< S+ 0 0 136 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.864 114.2 31.5 -62.4 -35.2 -29.3 -13.0 25.3 224 238 A L H << S+ 0 0 8 -4,-1.0 30,-2.8 -3,-0.9 -2,-0.2 0.923 131.4 31.1 -82.9 -53.5 -28.9 -9.4 24.3 225 239 A V H < S- 0 0 16 -4,-2.6 28,-0.3 28,-0.2 52,-0.2 0.581 109.5-118.3 -89.8 -10.7 -29.5 -9.5 20.5 226 240 A G < - 0 0 3 -4,-1.8 -1,-0.1 26,-0.4 -3,-0.1 0.133 36.0 -64.3 88.5 153.3 -31.9 -12.4 20.4 227 241 A T S S- 0 0 31 24,-2.4 26,-0.1 1,-0.1 19,-0.1 -0.438 71.4 -83.5 -68.6 147.9 -31.6 -15.8 18.8 228 242 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.177 41.2-137.3 -55.3 140.5 -31.5 -15.7 14.9 229 243 A G >> - 0 0 45 -3,-0.1 4,-2.4 1,-0.1 3,-0.8 -0.389 34.4 -93.4 -85.9 174.4 -34.7 -15.5 12.9 230 244 A A H 3> S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.835 122.7 63.0 -57.3 -35.6 -35.5 -17.5 9.8 231 245 A E H 34 S+ 0 0 128 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.811 111.1 36.7 -63.9 -32.8 -34.2 -14.6 7.6 232 246 A L H X4 S+ 0 0 29 -3,-0.8 3,-2.1 2,-0.1 4,-0.3 0.881 112.4 58.4 -82.6 -44.0 -30.7 -14.9 9.1 233 247 A L H >< S+ 0 0 28 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.830 98.7 61.1 -51.6 -36.6 -30.8 -18.8 9.4 234 248 A K T 3< S+ 0 0 145 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.637 99.9 55.5 -70.4 -12.2 -31.4 -19.0 5.6 235 249 A K T < S+ 0 0 83 -3,-2.1 2,-0.6 -5,-0.1 -1,-0.3 0.419 83.4 100.1 -99.3 -0.5 -28.0 -17.3 5.0 236 250 A I < - 0 0 17 -3,-1.4 -54,-0.1 -4,-0.3 6,-0.1 -0.805 50.1-172.2 -94.3 116.9 -26.0 -19.8 7.0 237 251 A S + 0 0 87 -2,-0.6 2,-0.5 4,-0.0 -1,-0.1 0.720 59.7 85.6 -81.5 -27.3 -24.3 -22.4 4.7 238 252 A S > - 0 0 42 -57,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.695 62.2-156.3 -84.4 121.5 -23.0 -24.8 7.4 239 253 A E H > S+ 0 0 131 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.910 95.5 49.8 -60.0 -44.2 -25.5 -27.4 8.5 240 254 A S H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 113.1 46.2 -64.0 -40.5 -23.7 -27.9 11.8 241 255 A A H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.909 113.9 48.4 -66.7 -43.3 -23.6 -24.2 12.5 242 256 A R H X S+ 0 0 66 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 114.5 45.4 -64.1 -46.1 -27.3 -23.8 11.5 243 257 A N H X S+ 0 0 82 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.825 108.3 58.7 -67.5 -32.8 -28.4 -26.7 13.7 244 258 A Y H < S+ 0 0 76 -4,-2.0 3,-0.4 -5,-0.2 4,-0.3 0.956 113.5 36.1 -57.7 -54.4 -26.2 -25.5 16.6 245 259 A I H >< S+ 0 0 6 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.810 114.9 55.8 -74.9 -28.3 -28.1 -22.1 16.7 246 260 A Q H 3< S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.716 102.9 57.7 -71.5 -21.5 -31.5 -23.6 15.9 247 261 A S T 3< S+ 0 0 95 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.527 86.7 101.1 -88.0 -6.1 -31.1 -26.0 18.8 248 262 A L S < S- 0 0 37 -3,-0.7 2,-0.2 -4,-0.3 3,-0.1 -0.451 87.5 -98.2 -74.8 149.6 -30.7 -23.2 21.3 249 263 A T - 0 0 115 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.523 52.0 -95.7 -67.0 133.1 -33.7 -22.1 23.4 250 264 A Q - 0 0 178 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.272 43.4-171.3 -56.6 127.2 -35.4 -19.1 21.9 251 265 A M - 0 0 66 -3,-0.1 -24,-2.4 -23,-0.1 2,-0.2 -0.992 17.3-132.4-120.5 129.0 -34.2 -15.8 23.3 252 266 A P - 0 0 105 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.510 29.8-100.0 -78.8 150.5 -36.0 -12.5 22.4 253 267 A K - 0 0 114 -28,-0.3 2,-0.3 -2,-0.2 -28,-0.2 -0.446 40.3-129.7 -63.0 137.6 -34.1 -9.4 21.4 254 268 A M - 0 0 69 -30,-2.8 2,-0.7 -2,-0.1 -1,-0.1 -0.645 14.8-115.4 -87.8 146.7 -33.7 -6.9 24.2 255 269 A N > - 0 0 88 -2,-0.3 3,-2.1 1,-0.2 4,-0.3 -0.766 26.6-144.8 -74.1 115.6 -34.5 -3.3 24.0 256 270 A F G >> S+ 0 0 1 -2,-0.7 4,-3.2 1,-0.3 3,-1.5 0.769 95.6 67.6 -60.4 -27.3 -31.0 -1.8 24.5 257 271 A A G 34 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.758 97.8 54.0 -62.5 -24.5 -32.4 1.1 26.4 258 272 A N G <4 S+ 0 0 125 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.498 115.2 40.0 -84.9 -7.2 -33.4 -1.4 29.1 259 273 A V T <4 S+ 0 0 56 -3,-1.5 2,-1.1 -4,-0.3 -2,-0.2 0.786 117.4 43.8-104.0 -51.3 -29.8 -2.6 29.3 260 274 A F S >< S- 0 0 10 -4,-3.2 3,-1.6 3,-0.0 -1,-0.1 -0.491 87.1-174.3 -93.6 61.9 -27.8 0.7 29.0 261 275 A I T 3 + 0 0 134 -2,-1.1 -3,-0.1 1,-0.3 3,-0.1 -0.300 64.2 14.9 -67.4 141.2 -30.1 2.5 31.4 262 276 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.3 -5,-0.2 2,-0.1 0.380 95.9 134.5 77.5 -3.6 -29.5 6.3 31.9 263 277 A A S < S- 0 0 31 -3,-1.6 -1,-0.3 -6,-0.2 -3,-0.0 -0.346 71.9 -83.9 -75.3 157.3 -27.3 6.4 28.7 264 278 A N >> - 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