==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-FEB-05 1YQJ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.TAMAYO,H.LIAO,M.GOLDBERG,R.SYED,V.LI,D.POWERS,Y.TUDOR, . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 64.3 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 . 38 10.7 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 . 1 0.3 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 . 32 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 1 1 0 1 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 1 0 3 0 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 -3 A H 0 0 239 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.7 -11.6 -1.7 19.1 2 -2 A M - 0 0 165 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.790 360.0-175.2 -90.7 119.7 -10.6 -2.6 22.7 3 -1 A L - 0 0 139 -2,-0.6 2,-0.5 2,-0.0 0, 0.0 -0.883 28.2-127.9-122.7 150.8 -9.8 0.5 24.8 4 0 A E - 0 0 163 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.766 19.4-175.5 -88.7 130.0 -8.5 1.3 28.2 5 1 A M + 0 0 188 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.441 66.1 26.0-106.3 -2.0 -10.8 3.7 30.0 6 2 A S - 0 0 102 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.964 68.2-127.4-153.6 166.9 -8.6 4.2 33.1 7 3 A Q - 0 0 137 -2,-0.3 2,-0.6 -3,-0.1 0, 0.0 -0.983 20.8-130.5-125.6 129.3 -5.1 4.1 34.4 8 4 A E - 0 0 186 -2,-0.4 -2,-0.0 1,-0.0 0, 0.0 -0.663 25.4-133.6 -79.2 117.4 -3.9 2.1 37.4 9 5 A R - 0 0 88 -2,-0.6 3,-0.0 1,-0.1 -1,-0.0 -0.575 21.9-124.4 -74.3 126.3 -1.8 4.4 39.7 10 6 A P - 0 0 63 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.205 25.4-104.3 -65.6 157.7 1.4 2.7 40.8 11 7 A T - 0 0 82 2,-0.0 15,-2.4 0, 0.0 2,-0.3 -0.757 41.0-153.4 -85.4 129.1 2.3 2.4 44.5 12 8 A F E -A 25 0A 26 -2,-0.5 2,-0.4 13,-0.3 11,-0.0 -0.764 10.1-163.3-103.7 149.2 4.9 5.0 45.4 13 9 A Y E -A 24 0A 63 11,-2.7 11,-2.0 -2,-0.3 2,-0.4 -0.965 12.9-143.1-128.2 146.7 7.5 4.8 48.2 14 10 A R E +A 23 0A 159 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.924 23.6 160.8-119.9 139.6 9.4 7.8 49.4 15 11 A Q E -A 22 0A 54 7,-2.8 7,-4.4 -2,-0.4 2,-0.8 -0.937 41.1-103.1-144.0 165.5 12.9 8.3 50.7 16 12 A E E +A 21 0A 132 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.821 50.2 151.2 -99.7 108.7 15.4 11.1 51.2 17 13 A L E > +A 20 0A 30 3,-3.2 3,-1.6 -2,-0.8 -2,-0.1 -0.983 62.3 18.3-134.5 146.1 18.1 11.3 48.5 18 14 A N T 3 S- 0 0 41 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.961 130.8 -65.3 58.6 49.8 20.0 14.3 47.2 19 15 A K T 3 S+ 0 0 185 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.565 124.6 94.1 49.6 8.3 19.1 16.1 50.4 20 16 A T E < S-A 17 0A 43 -3,-1.6 -3,-3.2 -5,-0.0 2,-0.5 -0.917 85.7-103.4-130.0 156.3 15.5 15.8 49.0 21 17 A I E -A 16 0A 58 -2,-0.3 2,-0.5 -5,-0.3 -5,-0.3 -0.648 33.4-159.4 -78.7 122.0 12.6 13.5 49.4 22 18 A W E -A 15 0A 0 -7,-4.4 -7,-2.8 -2,-0.5 2,-0.5 -0.900 6.8-171.3-103.7 129.8 12.3 11.2 46.3 23 19 A E E +A 14 0A 47 -2,-0.5 -9,-0.2 -9,-0.2 84,-0.0 -0.924 20.2 154.4-124.5 106.0 8.9 9.6 45.8 24 20 A V E -A 13 0A 1 -11,-2.0 -11,-2.7 -2,-0.5 -2,-0.0 -0.899 47.9 -86.6-133.0 159.2 8.8 7.0 43.1 25 21 A P E > -A 12 0A 4 0, 0.0 3,-2.0 0, 0.0 -13,-0.3 -0.268 45.1-112.7 -58.2 148.8 6.8 3.9 42.0 26 22 A E T 3 S+ 0 0 109 -15,-2.4 22,-0.1 1,-0.3 -14,-0.1 0.685 108.5 80.2 -60.3 -18.1 8.1 0.7 43.7 27 23 A R T 3 S+ 0 0 51 -16,-0.2 21,-2.7 1,-0.1 2,-0.7 0.784 81.0 76.7 -60.3 -24.2 9.2 -0.6 40.3 28 24 A Y E < S+B 47 0B 0 -3,-2.0 2,-0.3 19,-0.2 19,-0.2 -0.797 70.2 178.7 -94.4 113.8 12.3 1.6 40.7 29 25 A Q E +B 46 0B 67 17,-2.3 17,-2.6 -2,-0.7 -2,-0.0 -0.758 46.5 19.0-117.9 159.6 14.8 0.0 43.2 30 26 A N E - 0 0 117 -2,-0.3 2,-0.4 15,-0.2 -1,-0.2 0.943 70.0-164.2 50.6 63.3 18.1 0.8 44.6 31 27 A L E + 0 0 18 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.625 12.3 175.5 -78.2 128.5 18.3 4.5 43.9 32 28 A S E -B 44 0B 52 12,-2.3 12,-3.5 -2,-0.4 -15,-0.0 -0.982 32.3-115.0-138.3 124.4 21.8 6.0 44.2 33 29 A P E -B 43 0B 65 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.231 39.3-175.9 -56.6 141.3 22.7 9.6 43.4 34 30 A V + 0 0 37 8,-2.4 8,-0.5 6,-0.1 5,-0.4 -0.945 51.7 39.1-139.3 161.6 25.1 10.0 40.5 35 31 A G S > S- 0 0 19 -2,-0.3 3,-2.0 1,-0.2 5,-0.1 0.387 100.3-102.7 83.2 -3.8 26.9 12.7 38.6 36 32 A S T 3 S- 0 0 125 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.971 80.8 -48.2 48.1 66.4 27.7 14.5 41.9 37 33 A G T 3 S+ 0 0 59 -3,-0.3 -1,-0.3 3,-0.3 -2,-0.1 0.493 124.6 106.6 55.6 1.4 25.1 17.2 41.4 38 34 A A S < S+ 0 0 79 -3,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.854 78.8 41.2 -78.9 -38.6 26.5 17.5 37.8 39 35 A Y S S- 0 0 133 1,-0.4 2,-0.4 -5,-0.4 -1,-0.2 0.540 120.4-117.3 -83.3 -6.0 23.7 15.8 35.9 40 36 A G S S- 0 0 34 -5,-0.1 2,-1.5 2,-0.1 -1,-0.4 -0.833 74.6 -8.9 105.2-146.4 21.4 17.7 38.2 41 37 A S S S+ 0 0 32 17,-0.4 17,-2.7 -2,-0.4 2,-0.4 -0.677 91.2 152.1 -88.5 86.2 19.1 15.7 40.6 42 38 A V E - C 0 57B 10 -2,-1.5 -8,-2.4 -8,-0.5 2,-0.4 -0.963 25.8-172.5-123.3 134.4 19.8 12.3 39.1 43 39 A C E -BC 33 56B 0 13,-2.4 13,-2.7 -2,-0.4 2,-0.3 -0.973 20.9-134.0-123.9 137.1 19.7 8.9 40.7 44 40 A A E +BC 32 55B 2 -12,-3.5 -12,-2.3 -2,-0.4 2,-0.3 -0.689 39.3 162.6 -86.2 145.2 20.8 5.6 39.1 45 41 A A E - C 0 54B 0 9,-2.3 9,-2.9 -2,-0.3 2,-0.6 -0.960 40.3-110.0-155.1 171.8 18.2 2.8 39.7 46 42 A F E -BC 29 53B 71 -17,-2.6 -17,-2.3 -2,-0.3 2,-1.1 -0.949 22.1-145.3-112.9 120.9 17.1 -0.5 38.5 47 43 A D E >> -BC 28 52B 0 5,-3.5 4,-2.1 -2,-0.6 5,-1.3 -0.753 13.2-170.1 -84.5 103.2 13.8 -0.7 36.7 48 44 A T T 45S+ 0 0 72 -21,-2.7 -1,-0.2 -2,-1.1 -20,-0.1 0.788 82.0 58.6 -65.2 -27.2 12.4 -4.0 37.9 49 45 A K T 45S+ 0 0 139 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.887 121.7 23.0 -70.8 -38.8 9.6 -3.9 35.4 50 46 A T T 45S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.527 98.9-126.0-103.7 -9.6 11.9 -3.7 32.3 51 47 A G T <5 + 0 0 46 -4,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.868 66.2 138.7 64.4 34.0 15.0 -5.2 33.9 52 48 A L E < -C 47 0B 61 -5,-1.3 -5,-3.5 59,-0.0 2,-0.6 -0.895 60.2-127.1-115.7 142.7 16.8 -2.0 32.8 53 49 A R E -C 46 0B 120 -2,-0.4 59,-2.3 -7,-0.2 2,-0.3 -0.774 46.1-170.9 -83.8 122.0 19.4 0.1 34.6 54 50 A V E -CD 45 111B 0 -9,-2.9 -9,-2.3 -2,-0.6 2,-0.6 -0.775 31.4-131.8-123.4 165.1 18.0 3.6 34.5 55 51 A A E -CD 44 110B 17 55,-3.7 55,-2.0 -2,-0.3 2,-0.6 -0.956 23.5-165.3-111.7 118.3 18.6 7.3 35.1 56 52 A V E -CD 43 109B 1 -13,-2.7 -13,-2.4 -2,-0.6 2,-0.4 -0.928 4.4-167.5-107.8 119.4 15.9 9.0 37.1 57 53 A K E -CD 42 108B 69 51,-2.5 51,-2.9 -2,-0.6 2,-0.7 -0.896 10.4-153.1-109.4 134.0 15.9 12.8 37.1 58 54 A K E - D 0 107B 18 -17,-2.7 -17,-0.4 -2,-0.4 49,-0.2 -0.913 21.4-132.0-105.7 111.5 13.8 14.9 39.4 59 55 A L E - D 0 106B 17 47,-2.5 47,-0.5 -2,-0.7 2,-0.5 -0.449 20.4-139.6 -62.9 127.5 13.1 18.3 37.9 60 56 A S S S- 0 0 90 1,-0.3 -1,-0.1 -2,-0.2 45,-0.0 -0.817 72.9 -18.8 -94.9 125.2 13.9 21.0 40.5 61 57 A R S > S+ 0 0 169 -2,-0.5 3,-0.7 1,-0.1 -1,-0.3 0.944 73.5 174.1 43.4 67.4 11.4 23.9 40.7 62 58 A P T 3 S+ 0 0 8 0, 0.0 10,-0.5 0, 0.0 11,-0.2 0.743 76.0 34.8 -74.9 -21.5 10.0 23.3 37.2 63 59 A F T 3 S+ 0 0 25 41,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.285 74.6 119.2-127.3 48.7 7.3 26.0 37.6 64 60 A Q S < S+ 0 0 90 -3,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.591 86.0 8.1 -88.9 -9.6 9.0 28.7 39.7 65 61 A S S > S- 0 0 30 -3,-0.2 4,-2.9 -4,-0.1 5,-0.2 -0.963 80.0-103.8-159.3 164.9 8.5 31.3 36.9 66 62 A I H > S+ 0 0 76 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.900 122.4 52.3 -62.4 -39.2 6.8 31.7 33.6 67 63 A I H > S+ 0 0 104 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.920 115.1 39.5 -61.6 -47.2 10.2 31.2 31.9 68 64 A H H > S+ 0 0 57 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.867 111.3 56.0 -73.2 -38.9 11.0 28.0 33.8 69 65 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.889 111.4 46.0 -60.8 -37.9 7.5 26.6 33.6 70 66 A K H X S+ 0 0 40 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.852 111.6 51.1 -72.6 -35.6 7.7 26.9 29.8 71 67 A R H X S+ 0 0 92 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.918 109.6 50.4 -65.3 -45.3 11.2 25.4 29.7 72 68 A T H X S+ 0 0 12 -4,-2.9 4,-2.3 -10,-0.5 -2,-0.2 0.915 112.9 46.5 -58.3 -44.9 9.9 22.5 31.8 73 69 A Y H X S+ 0 0 10 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.897 111.9 51.8 -65.7 -39.3 7.1 22.1 29.3 74 70 A R H X S+ 0 0 33 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.902 110.0 48.0 -64.7 -42.0 9.5 22.4 26.4 75 71 A E H X S+ 0 0 68 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.945 112.1 48.9 -64.2 -48.4 11.8 19.7 27.8 76 72 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.921 111.4 49.3 -57.8 -46.4 9.0 17.3 28.4 77 73 A R H X S+ 0 0 39 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.915 114.3 46.4 -60.7 -42.0 7.5 17.8 24.9 78 74 A L H >X S+ 0 0 16 -4,-2.1 4,-1.8 1,-0.2 3,-0.6 0.963 113.2 46.9 -64.3 -53.1 11.0 17.3 23.4 79 75 A L H 3< S+ 0 0 22 -4,-3.2 11,-0.7 1,-0.2 -1,-0.2 0.810 110.6 53.5 -60.7 -31.9 11.8 14.2 25.4 80 76 A K H 3< S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.793 109.5 49.2 -74.0 -26.6 8.4 12.6 24.7 81 77 A H H << S+ 0 0 29 -4,-1.2 2,-0.5 -3,-0.6 244,-0.2 0.851 86.2 97.7 -79.9 -36.6 8.9 13.1 21.0 82 78 A M < + 0 0 3 -4,-1.8 8,-0.5 6,-0.1 2,-0.3 -0.405 36.8 157.7 -63.1 109.3 12.4 11.5 20.7 83 79 A K + 0 0 150 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.696 30.9 110.3-134.5 79.7 12.2 7.9 19.5 84 80 A H > - 0 0 20 3,-0.5 3,-1.6 -2,-0.3 57,-0.0 -0.991 68.4-124.2-152.1 145.3 15.6 7.0 18.0 85 81 A E T 3 S+ 0 0 140 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.813 113.3 46.7 -59.6 -32.6 18.5 4.7 19.0 86 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.1 51,-0.1 2,-0.4 0.155 105.0 71.1 -98.5 18.3 20.9 7.6 18.7 87 83 A V B < S-f 170 0C 1 -3,-1.6 -3,-0.5 82,-0.3 84,-0.2 -0.997 90.3-103.8-135.7 139.1 18.9 10.1 20.6 88 84 A I - 0 0 29 82,-3.0 2,-0.2 -2,-0.4 -6,-0.1 -0.399 49.4-174.8 -61.0 129.2 18.1 10.3 24.3 89 85 A G - 0 0 14 -2,-0.1 2,-0.5 -4,-0.1 22,-0.2 -0.711 26.2 -99.7-123.4 176.1 14.5 9.1 24.9 90 86 A L + 0 0 18 -11,-0.7 20,-0.2 -8,-0.5 3,-0.1 -0.848 26.2 174.5-102.6 125.9 11.9 8.8 27.6 91 87 A L S S- 0 0 23 18,-3.4 2,-0.3 -2,-0.5 19,-0.2 0.708 76.3 -14.6 -94.0 -27.3 11.3 5.4 29.3 92 88 A D E -E 109 0B 21 17,-1.3 17,-2.4 262,-0.1 -1,-0.4 -0.951 52.2-164.2-172.4 151.1 8.9 6.9 31.8 93 89 A V E +E 108 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.990 26.8 155.4-142.8 135.2 7.7 10.2 33.2 94 90 A F E -E 107 0B 15 13,-2.3 13,-2.9 -2,-0.3 256,-0.1 -0.981 29.1-156.4-158.2 168.7 5.7 10.5 36.4 95 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.981 24.8-134.4-146.1 144.9 4.5 12.6 39.4 96 92 A P S S+ 0 0 18 0, 0.0 2,-0.1 0, 0.0 -84,-0.1 0.598 72.9 113.8 -78.6 -7.5 3.2 11.3 42.8 97 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.392 54.3-159.9 -68.0 137.8 0.4 13.9 42.6 98 94 A R S S+ 0 0 163 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.603 77.6 21.7 -89.5 -16.4 -3.2 12.5 42.3 99 95 A S S > S- 0 0 33 1,-0.1 3,-0.6 0, 0.0 4,-0.4 -0.966 79.0-110.4-148.4 163.2 -4.4 15.9 40.9 100 96 A L G > S+ 0 0 53 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.884 116.6 63.4 -60.6 -37.3 -3.3 19.1 39.2 101 97 A E G 3 S+ 0 0 159 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.863 111.8 35.1 -55.3 -38.8 -4.0 20.9 42.5 102 98 A E G < S+ 0 0 91 -3,-0.6 -1,-0.3 2,-0.0 2,-0.3 0.336 90.8 124.8 -98.8 6.5 -1.3 18.8 44.2 103 99 A F < + 0 0 0 -3,-1.3 3,-0.1 -4,-0.4 -3,-0.1 -0.491 18.2 122.4 -70.8 129.6 1.0 18.7 41.2 104 100 A N + 0 0 94 1,-0.4 2,-0.3 -2,-0.3 -41,-0.2 0.383 53.7 60.9-150.0 -52.5 4.5 20.0 41.9 105 101 A D - 0 0 58 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.4 -0.642 54.0-163.9 -95.5 148.1 7.3 17.5 41.1 106 102 A V E -D 59 0B 0 -47,-0.5 -47,-2.5 -2,-0.3 2,-0.4 -0.995 3.2-165.0-130.6 126.6 8.2 15.8 37.8 107 103 A Y E -DE 58 94B 1 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.3 -0.936 5.1-163.2-114.1 134.0 10.4 12.7 37.5 108 104 A L E -DE 57 93B 7 -51,-2.9 -51,-2.5 -2,-0.4 2,-0.4 -0.880 3.3-157.3-115.8 148.8 11.9 11.7 34.2 109 105 A V E +DE 56 92B 0 -17,-2.4 -18,-3.4 -2,-0.3 -17,-1.3 -0.985 20.6 147.9-133.5 135.0 13.3 8.3 33.3 110 106 A T E -D 55 0B 19 -55,-2.0 -55,-3.7 -2,-0.4 -20,-0.1 -0.908 52.5 -65.3-149.0 174.0 15.8 7.1 30.7 111 107 A H E -D 54 0B 66 -2,-0.3 2,-0.5 -57,-0.3 -57,-0.3 -0.367 56.8-108.7 -64.9 145.5 18.5 4.4 30.1 112 108 A L - 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0 0 58 -2,-0.2 3,-1.3 0, 0.0 4,-0.2 -0.315 47.0 -72.1-111.4-161.3 19.0 27.0 10.6 206 202 A Q T >> S+ 0 0 56 1,-0.3 3,-1.6 2,-0.1 4,-0.5 0.649 116.5 81.2 -73.0 -12.5 19.7 23.3 11.3 207 203 A T H 3> S+ 0 0 8 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.636 72.0 77.8 -68.6 -11.8 23.0 23.5 9.5 208 204 A V H <> S+ 0 0 3 -3,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.858 91.5 55.7 -63.2 -30.6 24.5 25.0 12.6 209 205 A D H <> S+ 0 0 0 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.835 101.9 54.8 -69.4 -33.6 24.5 21.4 13.9 210 206 A I H X S+ 0 0 1 -4,-0.5 4,-2.3 -3,-0.2 -1,-0.2 0.901 104.1 54.5 -67.4 -39.5 26.5 20.2 10.9 211 207 A W H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.937 108.2 50.8 -56.5 -46.7 29.2 22.7 11.6 212 208 A S H X S+ 0 0 5 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.876 107.3 51.8 -58.1 -43.1 29.4 21.3 15.1 213 209 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.904 108.0 53.0 -63.2 -39.7 29.7 17.7 13.8 214 210 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.917 108.1 50.1 -60.9 -42.6 32.6 18.8 11.6 215 211 A C H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 11,-0.3 0.894 114.5 44.9 -61.2 -40.8 34.3 20.3 14.7 216 212 A I H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.900 112.9 49.3 -70.8 -44.6 33.8 17.1 16.5 217 213 A M H >X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 3,-0.7 0.970 110.5 50.3 -59.8 -54.4 34.9 14.8 13.7 218 214 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 6,-0.3 0.883 111.5 49.6 -50.1 -44.2 38.1 16.9 13.0 219 215 A E H 3X S+ 0 0 41 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.3 0.790 108.4 51.4 -68.4 -30.9 39.0 16.7 16.7 220 216 A L H << S+ 0 0 15 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.871 114.5 45.5 -73.3 -35.5 38.5 12.9 16.9 221 217 A L H < S+ 0 0 42 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.845 127.7 25.0 -74.7 -38.5 40.7 12.6 13.9 222 218 A T H < S- 0 0 63 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.629 94.2-130.1-102.1 -18.6 43.5 14.9 15.0 223 219 A G S < S+ 0 0 40 -4,-1.9 2,-0.4 -5,-0.3 -4,-0.2 0.639 75.8 104.6 76.8 12.4 43.0 14.7 18.8 224 220 A R S S- 0 0 192 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.979 82.4-103.1-130.4 141.7 43.0 18.5 18.9 225 221 A T - 0 0 38 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.358 29.8-144.0 -56.8 134.7 40.3 21.1 19.2 226 222 A L S S+ 0 0 31 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.927 89.5 15.9 -71.4 -45.6 39.6 22.5 15.8 227 223 A F + 0 0 3 -36,-0.3 2,-2.5 2,-0.1 -1,-0.2 -0.559 68.2 172.5-130.5 69.7 38.9 26.1 16.9 228 224 A P - 0 0 41 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.282 20.1-178.6 -75.7 58.0 40.2 26.6 20.4 229 225 A G - 0 0 0 -2,-2.5 -42,-0.3 1,-0.1 -39,-0.1 -0.225 32.0-144.3 -60.1 145.2 39.6 30.4 20.4 230 226 A T S S- 0 0 73 1,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.613 86.0 -8.5 -83.0 -14.6 40.5 32.3 23.5 231 227 A D S > S- 0 0 65 -47,-0.1 4,-2.9 -46,-0.1 5,-0.2 -0.943 90.3 -79.2-165.8 175.0 37.4 34.5 22.9 232 228 A H H > S+ 0 0 57 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.873 127.1 43.2 -53.5 -44.2 34.8 35.1 20.1 233 229 A I H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 113.6 49.2 -71.8 -45.0 37.1 37.2 17.9 234 230 A D H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.935 113.5 49.8 -58.9 -43.2 40.2 35.0 18.3 235 231 A Q H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.868 107.2 52.7 -63.8 -38.5 37.9 32.0 17.5 236 232 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.893 108.6 51.2 -64.6 -37.8 36.5 33.7 14.4 237 233 A K H X S+ 0 0 111 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.904 106.9 53.1 -64.4 -41.2 40.0 34.4 13.1 238 234 A L H X S+ 0 0 55 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.906 112.5 47.2 -59.6 -40.7 40.9 30.7 13.7 239 235 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.932 111.2 46.7 -68.1 -49.2 37.8 29.8 11.6 240 236 A L H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.800 106.2 61.2 -66.6 -27.1 38.4 32.3 8.6 241 237 A R H < S+ 0 0 156 -4,-2.0 -1,-0.2 -5,-0.2 31,-0.2 0.939 113.7 35.6 -62.9 -45.8 42.0 31.2 8.4 242 238 A L H < S+ 0 0 9 -4,-1.3 30,-3.1 -5,-0.2 -2,-0.2 0.960 131.5 27.7 -73.0 -53.7 40.9 27.6 7.7 243 239 A V H < S- 0 0 19 -4,-2.8 28,-0.3 28,-0.2 52,-0.2 0.495 109.2-120.0 -91.7 -1.2 37.8 28.3 5.6 244 240 A G < - 0 0 4 -4,-1.9 -1,-0.2 26,-0.4 -3,-0.1 0.056 39.6 -56.2 83.5 162.1 38.8 31.6 4.1 245 241 A T - 0 0 27 24,-2.3 26,-0.1 1,-0.1 23,-0.1 -0.449 68.4 -84.6 -78.0 150.7 37.1 35.0 4.4 246 242 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.107 39.3-137.8 -53.7 143.8 33.4 35.5 3.4 247 243 A G > - 0 0 44 -3,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.413 35.4 -91.8 -93.7 177.0 32.6 36.2 -0.3 248 244 A A H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 123.2 60.1 -57.7 -39.5 30.0 38.8 -1.4 249 245 A E H > S+ 0 0 127 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.940 111.4 37.4 -53.1 -55.5 27.3 36.2 -1.4 250 246 A L H >> S+ 0 0 8 1,-0.2 3,-0.9 2,-0.2 4,-0.7 0.867 111.0 63.0 -65.9 -38.2 27.6 35.4 2.3 251 247 A L H >< S+ 0 0 16 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.905 101.5 49.2 -53.9 -48.1 28.2 39.0 3.1 252 248 A K H 3< S+ 0 0 171 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.708 105.2 62.0 -65.7 -19.8 24.8 40.1 1.9 253 249 A K H << S+ 0 0 57 -3,-0.9 2,-0.6 -4,-0.6 -1,-0.3 0.633 82.9 89.9 -81.7 -15.6 23.4 37.3 4.0 254 250 A I << - 0 0 0 -3,-1.4 -52,-0.2 -4,-0.7 -53,-0.1 -0.756 61.9-163.8 -85.4 121.6 24.7 38.8 7.2 255 251 A S + 0 0 87 -54,-2.3 2,-0.4 -2,-0.6 -1,-0.2 0.852 62.9 86.4 -75.1 -39.6 22.1 41.1 8.7 256 252 A S > - 0 0 49 -55,-0.7 4,-1.9 -56,-0.2 5,-0.1 -0.519 61.9-158.4 -68.6 123.7 24.1 43.1 11.2 257 253 A E H > S+ 0 0 127 -2,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.840 93.8 53.5 -70.0 -34.3 25.7 46.0 9.4 258 254 A S H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.927 108.9 48.9 -65.7 -44.4 28.3 46.3 12.1 259 255 A A H > S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.896 111.2 50.2 -61.2 -40.5 29.2 42.6 11.7 260 256 A R H X S+ 0 0 70 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.920 111.4 48.3 -63.3 -44.6 29.4 43.2 7.9 261 257 A N H X S+ 0 0 94 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.904 112.8 49.0 -60.9 -44.8 31.7 46.2 8.4 262 258 A Y H >X S+ 0 0 72 -4,-2.8 3,-1.3 2,-0.2 4,-0.7 0.947 109.0 52.1 -61.8 -49.2 33.8 44.2 10.8 263 259 A I H >< S+ 0 0 6 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.938 109.3 49.2 -52.1 -52.2 34.1 41.2 8.4 264 260 A Q H 3< S+ 0 0 124 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.649 98.9 70.2 -64.2 -13.9 35.3 43.5 5.6 265 261 A S H << S+ 0 0 77 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.740 83.9 87.4 -75.7 -21.9 37.8 45.0 7.9 266 262 A L S << S- 0 0 38 -3,-1.7 2,-0.2 -4,-0.7 3,-0.1 -0.513 92.0-103.9 -81.3 145.4 39.8 41.7 7.9 267 263 A T - 0 0 126 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.501 48.0-106.0 -66.6 131.0 42.4 41.0 5.3 268 264 A Q - 0 0 164 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.312 40.3-170.8 -63.2 140.6 41.0 38.5 2.8 269 265 A M - 0 0 62 -29,-0.1 -24,-2.3 -3,-0.1 2,-0.1 -0.993 17.7-126.4-135.7 141.1 42.2 34.9 3.0 270 266 A P - 0 0 112 0, 0.0 -26,-0.4 0, 0.0 2,-0.2 -0.402 41.5 -87.3 -82.0 163.3 41.6 31.9 0.8 271 267 A K - 0 0 103 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.485 49.4-120.6 -68.6 136.2 40.3 28.6 2.0 272 268 A M - 0 0 63 -30,-3.1 2,-0.8 -31,-0.2 -1,-0.1 -0.281 26.2 -98.4 -75.1 165.1 43.1 26.4 3.2 273 269 A N >> - 0 0 89 1,-0.2 3,-1.4 2,-0.0 4,-0.9 -0.770 29.2-160.7 -86.8 108.3 44.0 22.9 1.8 274 270 A F H 3> S+ 0 0 2 -2,-0.8 4,-3.4 1,-0.3 -1,-0.2 0.787 89.1 63.9 -61.0 -28.5 42.3 20.4 4.2 275 271 A A H 34 S+ 0 0 54 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.777 108.6 41.4 -66.6 -25.2 44.6 17.7 2.9 276 272 A N H <4 S+ 0 0 113 -3,-1.4 3,-0.4 3,-0.1 -1,-0.2 0.592 116.3 48.9 -95.3 -15.2 47.5 19.6 4.3 277 273 A V H < S+ 0 0 53 -4,-0.9 2,-0.7 1,-0.2 -2,-0.2 0.836 116.4 41.2 -89.2 -40.5 45.6 20.6 7.5 278 274 A F S >< S- 0 0 9 -4,-3.4 3,-1.8 -5,-0.1 -1,-0.2 -0.539 88.2-169.4-106.4 64.7 44.5 17.0 8.2 279 275 A I T 3 + 0 0 142 -2,-0.7 -3,-0.1 -3,-0.4 3,-0.1 -0.317 68.3 7.4 -60.1 126.7 47.7 15.3 7.3 280 276 A G T 3 S+ 0 0 85 -5,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.403 94.4 135.5 84.0 -3.4 47.4 11.5 7.1 281 277 A A S < S- 0 0 26 -3,-1.8 -1,-0.3 -6,-0.2 -3,-0.1 -0.422 71.5 -81.3 -77.2 155.4 43.6 11.5 7.5 282 278 A N >> - 0 0 47 1,-0.2 4,-2.3 -2,-0.1 3,-1.0 -0.333 37.5-131.9 -55.7 122.9 41.4 9.3 5.3 283 279 A P H 3> S+ 0 0 104 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.787 108.2 53.8 -49.6 -28.7 41.0 11.1 2.0 284 280 A L H 3> S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.863 107.3 49.3 -74.7 -36.4 37.2 10.4 2.3 285 281 A A H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.881 109.6 52.3 -68.6 -39.2 37.0 11.9 5.8 286 282 A V H X S+ 0 0 10 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 109.4 49.9 -63.6 -41.2 38.9 15.0 4.6 287 283 A D H X S+ 0 0 52 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.933 111.4 47.5 -62.4 -47.7 36.4 15.4 1.7 288 284 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.4 0.900 108.7 55.2 -60.3 -43.4 33.4 15.1 4.0 289 285 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.3 3,-0.4 0.894 105.4 52.1 -57.2 -42.4 35.0 17.6 6.5 290 286 A E H < S+ 0 0 55 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.804 108.4 52.6 -64.7 -27.6 35.3 20.2 3.7 291 287 A K H < S+ 0 0 85 -4,-1.2 10,-2.0 -3,-0.4 3,-0.3 0.739 115.7 39.2 -79.5 -24.4 31.6 19.6 3.0 292 288 A M H < S+ 0 0 0 -4,-1.3 2,-1.3 -3,-0.4 -2,-0.2 0.834 107.1 61.1 -91.7 -41.1 30.6 20.3 6.6 293 289 A L S < S+ 0 0 4 -4,-3.1 2,-0.5 -5,-0.2 -1,-0.2 -0.340 70.2 139.0 -88.4 54.9 32.9 23.1 7.4 294 290 A V - 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0 0 98 -3,-2.0 2,-0.5 -4,-0.1 -3,-0.0 -0.674 58.9-148.0 -96.2 146.6 2.5 31.1 22.6 335 331 A D + 0 0 154 -2,-0.3 2,-0.3 0, 0.0 -2,-0.1 -0.955 30.1 155.3-114.1 122.6 2.1 33.3 25.6 336 332 A L - 0 0 37 -2,-0.5 2,-0.1 -270,-0.1 -266,-0.1 -0.937 40.2-102.1-142.6 164.6 0.6 31.8 28.8 337 333 A L >> - 0 0 101 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.358 42.2-102.0 -82.0 166.3 0.5 32.2 32.5 338 334 A I H 3> S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.946 123.2 48.4 -50.6 -55.3 2.6 30.0 34.9 339 335 A D H 3> S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.728 109.2 53.3 -59.9 -26.6 -0.4 27.9 35.8 340 336 A E H <> S+ 0 0 89 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.857 110.6 46.2 -78.4 -34.5 -1.4 27.4 32.2 341 337 A W H X S+ 0 0 2 -4,-2.1 4,-1.8 -3,-0.3 -2,-0.2 0.869 113.5 51.1 -71.4 -36.2 2.2 26.2 31.4 342 338 A K H X S+ 0 0 37 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.866 108.9 50.1 -68.4 -37.2 1.9 24.0 34.4 343 339 A S H X S+ 0 0 37 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.900 109.3 50.7 -68.5 -40.9 -1.4 22.5 33.3 344 340 A L H X S+ 0 0 46 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.872 112.2 49.1 -63.0 -37.6 -0.1 21.7 29.9 345 341 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.956 109.3 50.0 -66.6 -51.8 2.8 20.0 31.5 346 342 A Y H X S+ 0 0 29 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.870 108.9 54.2 -54.1 -39.5 0.6 18.0 33.9 347 343 A D H X S+ 0 0 78 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.890 109.3 47.3 -62.0 -41.9 -1.5 16.9 30.9 348 344 A E H < S+ 0 0 43 -4,-1.6 4,-0.3 -3,-0.3 -1,-0.2 0.843 110.5 53.4 -69.2 -34.7 1.6 15.6 29.1 349 345 A V H >< S+ 0 0 7 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.965 111.9 41.7 -66.4 -52.2 2.8 13.8 32.2 350 346 A I H 3< S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.650 112.4 55.5 -72.0 -15.0 -0.5 11.8 32.8 351 347 A S T 3< S+ 0 0 60 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.388 77.2 130.7 -97.9 4.0 -0.9 11.0 29.1 352 348 A F < - 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