==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-07 2ZB1 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.O.SOMERS . 345 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 64.9 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 . 37 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 . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 29.6 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 3 1 1 2 0 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 1 1 2 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 4 A E 0 0 249 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.0 19.1 42.0 23.6 2 5 A R - 0 0 91 1,-0.0 2,-0.1 88,-0.0 3,-0.0 -0.585 360.0-136.8 -81.2 131.3 21.5 39.9 21.4 3 6 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.378 28.6 -98.1 -75.5 162.9 24.8 41.5 20.3 4 7 A T - 0 0 83 -2,-0.1 15,-2.0 1,-0.0 2,-0.3 -0.681 38.2-149.9 -79.2 135.0 26.1 41.1 16.7 5 8 A F E -A 18 0A 24 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.790 10.3-167.0-102.9 148.6 28.7 38.3 16.3 6 9 A Y E -A 17 0A 59 11,-2.6 11,-1.7 -2,-0.3 2,-0.3 -0.905 12.7-134.4-127.0 161.8 31.5 38.3 13.8 7 10 A R E +A 16 0A 157 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.877 24.4 161.9-123.7 152.3 33.8 35.5 12.8 8 11 A Q E -A 15 0A 61 7,-1.8 7,-3.0 -2,-0.3 2,-0.6 -0.967 37.8-113.3-154.1 157.5 37.5 34.7 12.2 9 12 A E E -A 14 0A 129 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.888 28.2-177.5 -98.4 121.1 39.6 31.6 11.9 10 13 A L E > -A 13 0A 25 3,-2.4 3,-0.5 -2,-0.6 15,-0.1 -0.869 69.8 -35.7-121.2 94.7 42.2 31.4 14.8 11 14 A N T 3 S- 0 0 126 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.977 123.7 -30.5 51.4 88.8 44.3 28.3 14.1 12 15 A K T 3 S+ 0 0 198 -3,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.232 123.8 78.1 65.8 -13.2 42.1 25.5 12.6 13 16 A T E < S-A 10 0A 61 -3,-0.5 -3,-2.4 -2,-0.3 2,-0.5 -0.981 77.1-119.4-129.7 148.6 38.8 26.6 14.3 14 17 A I E -A 9 0A 72 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.683 22.1-155.1 -83.0 117.1 36.2 29.4 13.7 15 18 A W E -A 8 0A 4 -7,-3.0 -7,-1.8 -2,-0.5 2,-0.6 -0.845 9.1-173.4 -92.8 125.7 35.8 31.9 16.5 16 19 A E E +A 7 0A 57 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.924 21.6 157.5-119.2 101.0 32.4 33.7 16.5 17 20 A V E -A 6 0A 1 -11,-1.7 -11,-2.6 -2,-0.6 2,-0.1 -0.827 45.4 -89.5-123.5 157.3 32.4 36.4 19.2 18 21 A P E > -A 5 0A 3 0, 0.0 3,-2.0 0, 0.0 -13,-0.2 -0.377 41.2-110.9 -64.3 150.4 30.4 39.6 19.9 19 22 A E T 3 S+ 0 0 107 -15,-2.0 21,-0.1 1,-0.3 -14,-0.1 0.665 110.3 76.2 -56.5 -26.0 31.8 42.8 18.4 20 23 A R T 3 S+ 0 0 54 -16,-0.2 20,-2.6 19,-0.1 2,-0.6 0.868 85.7 75.2 -55.3 -34.7 32.7 44.2 21.8 21 24 A Y E < +B 39 0B 0 -3,-2.0 2,-0.2 18,-0.2 18,-0.2 -0.713 67.4 166.2 -86.7 117.4 35.7 41.8 21.6 22 25 A Q E +B 38 0B 72 16,-2.2 16,-3.0 -2,-0.6 -2,-0.0 -0.745 45.5 32.4-124.9 167.6 38.5 43.0 19.3 23 26 A N E S- 0 0 125 -2,-0.2 -1,-0.2 14,-0.2 13,-0.1 0.844 72.1-169.4 53.7 43.6 42.1 42.2 18.5 24 27 A L E + 0 0 17 -3,-0.2 13,-0.2 13,-0.1 -1,-0.2 -0.362 12.5 167.9 -65.6 143.0 41.9 38.5 19.3 25 28 A S E -B 36 0B 65 11,-1.7 11,-3.5 -2,-0.1 -15,-0.0 -0.951 35.8-109.3-157.1 132.0 45.2 36.6 19.4 26 29 A P E B 35 0B 60 0, 0.0 9,-0.3 0, 0.0 7,-0.0 -0.293 360.0 360.0 -66.1 150.2 45.9 33.0 20.7 27 30 A V 0 0 86 7,-2.0 4,-0.4 9,-0.0 7,-0.2 -0.918 360.0 360.0-117.6 360.0 47.9 32.7 24.0 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 33 A G > 0 0 76 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-127.4 47.5 26.5 23.8 30 34 A A T 3 + 0 0 99 1,-0.2 3,-0.1 -3,-0.2 0, 0.0 0.868 360.0 46.3 -60.7 -46.2 48.3 25.4 27.3 31 35 A Y T 3 S- 0 0 73 -4,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.360 125.0 -90.9 -83.7 6.8 45.2 26.6 29.2 32 36 A G S < S- 0 0 37 -3,-1.0 2,-0.8 2,-0.1 -1,-0.2 -0.968 83.5 -19.8 121.2-140.9 42.8 25.1 26.5 33 37 A S S S+ 0 0 44 -2,-0.4 17,-2.2 17,-0.3 2,-0.4 -0.846 88.2 160.6-105.3 93.5 41.6 27.0 23.4 34 38 A V E - C 0 49B 16 -2,-0.8 -7,-2.0 15,-0.2 2,-0.4 -0.927 26.1-169.6-127.8 139.1 42.2 30.6 24.6 35 39 A C E -BC 26 48B 2 13,-2.8 13,-3.2 -2,-0.4 2,-0.3 -0.936 22.4-130.8-121.7 146.0 42.6 34.0 23.0 36 40 A A E +BC 25 47B 20 -11,-3.5 -11,-1.7 -2,-0.4 2,-0.3 -0.665 38.9 176.3 -80.3 150.7 43.7 37.3 24.4 37 41 A A E - C 0 46B 6 9,-2.2 9,-3.2 -2,-0.3 2,-0.7 -0.991 35.4-122.2-155.2 150.7 41.2 40.1 23.5 38 42 A F E -BC 22 45B 72 -16,-3.0 -16,-2.2 -2,-0.3 2,-1.0 -0.871 25.3-148.2 -95.7 116.6 40.6 43.7 24.1 39 43 A D E >> -BC 21 44B 1 5,-2.8 4,-2.4 -2,-0.7 5,-0.8 -0.737 8.7-165.9 -85.3 103.7 37.1 44.1 25.5 40 44 A T T 45S+ 0 0 77 -20,-2.6 -1,-0.1 -2,-1.0 -19,-0.1 0.648 81.6 55.9 -65.6 -20.6 35.8 47.5 24.2 41 45 A K T 45S+ 0 0 164 -21,-0.1 -1,-0.2 1,-0.1 -20,-0.0 0.884 122.3 23.8 -78.9 -38.8 32.9 47.8 26.7 42 46 A T T 45S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.635 97.3-126.6-100.0 -16.1 34.9 47.5 29.9 43 47 A G T <5 + 0 0 48 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.682 65.3 135.7 76.1 18.6 38.4 48.6 28.6 44 48 A L E < -C 39 0B 63 -5,-0.8 -5,-2.8 59,-0.0 2,-0.6 -0.730 61.8-123.3-101.6 146.7 39.8 45.4 30.0 45 49 A R E -C 38 0B 180 -2,-0.3 59,-1.6 -7,-0.2 2,-0.3 -0.805 45.4-170.2 -80.9 125.3 42.3 43.0 28.4 46 50 A V E -CD 37 103B 0 -9,-3.2 -9,-2.2 -2,-0.6 2,-0.5 -0.816 28.0-133.0-123.2 159.3 40.5 39.7 28.5 47 51 A A E -CD 36 102B 11 55,-2.5 55,-2.1 -2,-0.3 2,-0.6 -0.947 21.3-162.8-107.8 125.7 41.0 35.9 28.0 48 52 A V E -CD 35 101B 0 -13,-3.2 -13,-2.8 -2,-0.5 2,-0.5 -0.963 3.9-168.5-112.6 117.2 38.4 34.2 25.8 49 53 A K E -CD 34 100B 41 51,-2.8 51,-3.2 -2,-0.6 2,-0.6 -0.940 7.1-157.2-106.7 122.4 38.2 30.5 26.0 50 54 A K E - D 0 99B 24 -17,-2.2 -17,-0.3 -2,-0.5 49,-0.2 -0.883 27.3-120.0 -94.7 123.1 36.1 28.6 23.5 51 55 A L - 0 0 15 47,-3.5 2,-0.9 -2,-0.6 47,-0.2 -0.302 21.5-120.5 -67.5 147.6 35.1 25.2 24.8 52 56 A S S S- 0 0 92 1,-0.2 -1,-0.1 2,-0.1 45,-0.1 -0.775 76.7 -36.8 -99.7 98.0 36.3 22.2 22.9 53 57 A R S > S- 0 0 157 -2,-0.9 3,-1.3 43,-0.1 -1,-0.2 0.973 74.2-170.4 57.1 64.6 33.3 20.0 21.6 54 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.739 73.6 31.3 -66.5 -27.8 31.3 20.6 24.8 55 59 A F T 3 S+ 0 0 15 41,-0.3 -2,-0.1 1,-0.1 278,-0.1 -0.068 78.7 112.8-122.8 32.8 28.5 18.1 24.3 56 60 A Q S < S+ 0 0 118 -3,-1.3 2,-0.3 1,-0.1 -1,-0.1 0.711 88.1 10.8 -80.5 -16.4 30.2 15.2 22.4 57 61 A S S > S- 0 0 41 -4,-0.2 4,-3.2 -3,-0.2 5,-0.3 -0.970 80.1-105.4-150.9 163.1 29.9 12.8 25.3 58 62 A I H > S+ 0 0 86 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.952 123.0 48.6 -53.8 -53.8 28.1 12.5 28.7 59 63 A I H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 114.1 46.8 -51.4 -44.5 31.5 13.1 30.5 60 64 A H H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.947 113.1 47.5 -65.2 -50.1 32.2 16.1 28.2 61 65 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.906 113.8 48.1 -58.5 -41.3 28.7 17.6 28.6 62 66 A K H X S+ 0 0 27 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.913 111.2 51.5 -67.4 -39.3 29.0 17.1 32.4 63 67 A R H X S+ 0 0 100 -4,-2.2 4,-3.2 -5,-0.2 -2,-0.2 0.912 108.4 50.8 -58.3 -49.1 32.5 18.7 32.4 64 68 A T H X S+ 0 0 10 -4,-2.6 4,-2.3 -10,-0.4 5,-0.2 0.920 112.6 45.8 -57.0 -48.7 31.2 21.8 30.5 65 69 A Y H X S+ 0 0 15 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.939 112.4 51.4 -60.7 -49.1 28.4 22.3 33.0 66 70 A R H X S+ 0 0 40 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.949 110.8 48.8 -49.1 -54.1 30.8 21.8 35.9 67 71 A E H X S+ 0 0 27 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.895 113.4 45.1 -56.5 -46.6 33.2 24.4 34.5 68 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.918 113.4 50.6 -66.0 -43.2 30.5 27.0 33.9 69 73 A R H X S+ 0 0 39 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.955 112.3 47.5 -58.4 -49.7 28.9 26.3 37.3 70 74 A L H X S+ 0 0 14 -4,-3.0 4,-1.4 1,-0.2 3,-0.5 0.928 114.6 45.1 -55.7 -52.3 32.4 26.8 39.0 71 75 A L H < S+ 0 0 19 -4,-2.5 11,-0.8 1,-0.2 -1,-0.2 0.842 109.0 54.9 -65.5 -37.2 33.2 29.9 37.2 72 76 A K H < S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 110.6 47.7 -66.0 -27.2 29.8 31.6 37.7 73 77 A H H < S+ 0 0 38 -4,-1.4 2,-0.8 -3,-0.5 243,-0.2 0.836 87.4 93.7 -84.4 -30.1 30.1 31.1 41.4 74 78 A M < + 0 0 2 -4,-1.4 2,-0.4 -5,-0.1 8,-0.4 -0.505 39.7 156.4 -74.3 104.3 33.7 32.4 42.0 75 79 A K + 0 0 164 -2,-0.8 2,-0.3 6,-0.1 5,-0.1 -0.791 28.7 112.7-129.6 87.7 33.5 36.1 42.9 76 80 A H > - 0 0 19 3,-0.5 3,-1.6 -2,-0.4 57,-0.0 -0.968 69.9-119.0-157.3 140.1 36.7 37.0 44.8 77 81 A E T 3 S+ 0 0 117 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.754 113.2 44.8 -53.2 -34.9 39.7 39.2 43.9 78 82 A N T 3 S+ 0 0 5 83,-0.1 84,-1.4 51,-0.1 2,-0.4 0.060 104.2 71.6-100.3 17.9 42.2 36.4 44.1 79 83 A V B < S-f 162 0C 1 -3,-1.6 -3,-0.5 82,-0.3 84,-0.2 -0.994 89.6-108.0-134.3 137.4 40.2 33.8 42.2 80 84 A I - 0 0 6 82,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.452 46.6-178.0 -65.7 138.6 39.5 33.9 38.4 81 85 A G - 0 0 13 -2,-0.1 2,-0.7 -4,-0.1 22,-0.4 -0.775 29.5 -85.2-132.7-178.0 35.9 34.8 37.7 82 86 A L + 0 0 14 -11,-0.8 20,-0.2 -8,-0.4 3,-0.1 -0.792 30.7 172.2-102.7 114.3 33.6 35.2 34.8 83 87 A L S S- 0 0 23 18,-3.0 2,-0.3 -2,-0.7 19,-0.2 0.860 74.8 -15.0 -79.5 -39.2 33.4 38.5 33.0 84 88 A D E -E 101 0B 23 17,-1.5 17,-2.6 261,-0.1 2,-0.3 -0.980 51.9-160.6-159.3 159.6 31.1 37.1 30.3 85 89 A V E +E 100 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.937 23.7 160.5-149.2 132.5 29.7 33.9 28.7 86 90 A F E -E 99 0B 14 13,-1.5 13,-2.1 -2,-0.3 255,-0.0 -0.970 26.1-164.1-148.2 161.2 28.2 33.6 25.3 87 91 A T - 0 0 14 -2,-0.3 11,-0.1 2,-0.2 -70,-0.1 -0.967 25.6-137.0-137.3 139.5 27.2 31.3 22.5 88 92 A P S S+ 0 0 16 0, 0.0 -83,-0.1 0, 0.0 7,-0.1 0.643 72.7 116.0 -66.1 -13.8 26.3 32.5 18.9 89 93 A A - 0 0 13 8,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.275 57.0-156.0 -58.8 138.0 23.4 30.0 19.1 90 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -88,-0.0 -1,-0.1 0.526 73.6 8.8 -94.2 -8.9 19.9 31.6 19.0 91 95 A S S S- 0 0 35 1,-0.1 4,-0.5 0, 0.0 3,-0.3 -0.946 84.1 -93.4-155.8 174.4 18.1 28.7 20.7 92 96 A L S > S+ 0 0 53 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.911 116.6 63.5 -59.2 -45.6 18.8 25.4 22.5 93 97 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.836 112.9 33.3 -50.6 -41.9 18.5 23.4 19.3 94 98 A E T 3 S+ 0 0 108 -3,-0.3 2,-0.5 -6,-0.0 -1,-0.3 0.380 87.4 122.8 -99.1 2.7 21.5 25.0 17.7 95 99 A F < + 0 0 1 -3,-1.4 3,-0.1 -4,-0.5 242,-0.1 -0.550 22.0 128.7 -68.2 115.8 23.4 25.5 21.0 96 100 A N + 0 0 88 -2,-0.5 2,-0.4 1,-0.3 -41,-0.3 0.367 52.3 61.9-151.3 -2.8 26.8 23.7 20.5 97 101 A D - 0 0 50 -3,-0.1 2,-0.4 -44,-0.1 -1,-0.3 -0.989 55.5-162.9-132.7 141.0 29.6 26.1 21.4 98 102 A V - 0 0 0 -2,-0.4 -47,-3.5 -47,-0.2 2,-0.4 -0.993 4.0-167.2-125.6 133.3 30.4 27.8 24.7 99 103 A Y E -DE 50 86B 1 -13,-2.1 -13,-1.5 -2,-0.4 2,-0.4 -0.958 3.9-161.1-119.5 136.3 32.7 30.8 25.2 100 104 A L E -DE 49 85B 4 -51,-3.2 -51,-2.8 -2,-0.4 2,-0.5 -0.944 0.6-160.5-120.9 133.6 34.1 32.0 28.5 101 105 A V E +DE 48 84B 0 -17,-2.6 -18,-3.0 -2,-0.4 -17,-1.5 -0.952 21.0 153.7-118.8 128.1 35.5 35.4 29.3 102 106 A T E -D 47 0B 22 -55,-2.1 -55,-2.5 -2,-0.5 -20,-0.1 -0.793 50.3 -71.0-134.1 176.4 37.8 36.2 32.2 103 107 A H E -D 46 0B 60 -22,-0.4 2,-0.6 -2,-0.2 -57,-0.2 -0.354 41.4-137.5 -64.3 153.3 40.5 38.8 33.1 104 108 A L - 0 0 56 -59,-1.6 2,-0.4 -58,-0.1 -59,-0.2 -0.985 16.9-162.8-116.3 113.5 43.8 38.3 31.3 105 109 A M - 0 0 29 -2,-0.6 50,-0.2 1,-0.1 49,-0.1 -0.791 25.3-122.1 -94.1 140.8 46.6 38.8 33.8 106 110 A G S S+ 0 0 77 -2,-0.4 2,-0.3 47,-0.1 49,-0.2 0.643 80.7 6.3 -61.8 -22.3 49.9 39.4 32.0 107 111 A A E -G 154 0C 39 47,-1.7 47,-3.1 3,-0.0 2,-0.2 -0.953 64.9-118.9-152.6 168.5 51.9 36.5 33.4 108 112 A D E >> -G 153 0C 26 -2,-0.3 4,-1.3 45,-0.3 3,-0.5 -0.669 35.9-108.4-109.5 171.4 51.8 33.3 35.5 109 113 A L H 3> S+ 0 0 0 43,-1.8 4,-2.4 40,-1.4 5,-0.3 0.790 115.4 67.1 -70.7 -21.8 53.8 32.6 38.7 110 114 A N H 3> S+ 0 0 55 39,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.877 103.7 43.4 -64.5 -39.4 56.0 30.2 36.9 111 115 A N H <> S+ 0 0 70 -3,-0.5 4,-1.9 38,-0.2 -1,-0.2 0.789 112.2 55.7 -75.8 -27.9 57.4 33.0 34.8 112 116 A I H X S+ 0 0 16 -4,-1.3 4,-2.7 2,-0.2 3,-0.4 0.998 112.5 37.7 -65.1 -64.4 57.8 35.2 37.9 113 117 A V H < S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.835 119.9 50.8 -56.7 -34.0 59.9 32.8 40.0 114 118 A K H < S+ 0 0 157 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.861 122.8 26.7 -72.4 -36.1 61.8 31.7 36.9 115 119 A C H < S+ 0 0 95 -4,-1.9 2,-0.3 -3,-0.4 -2,-0.2 0.659 115.2 47.7-106.2 -20.1 62.7 35.3 35.7 116 120 A Q S < S- 0 0 113 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.0 -0.901 76.1-114.5-124.4 150.9 62.8 37.7 38.8 117 121 A K - 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0 0 33 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.283 29.3-145.2 -55.6 137.6 61.4 23.2 43.0 217 222 A L S S+ 0 0 33 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.934 89.4 17.4 -74.4 -46.6 61.0 21.6 46.4 218 223 A F + 0 0 3 -36,-0.3 2,-2.4 2,-0.1 -1,-0.2 -0.579 67.8 171.7-127.0 67.0 60.3 18.0 45.3 219 224 A P - 0 0 40 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.339 20.9-176.5 -78.6 65.5 61.4 17.6 41.7 220 225 A G - 0 0 0 -2,-2.4 -42,-0.4 1,-0.1 -39,-0.1 -0.199 31.8-141.5 -61.6 149.6 60.9 13.8 41.6 221 226 A T S S- 0 0 72 1,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.578 86.4 -11.5 -85.0 -12.3 61.8 11.9 38.5 222 227 A D S > S- 0 0 67 -47,-0.1 4,-2.5 -45,-0.1 -1,-0.2 -0.913 90.9 -77.1-171.0 174.9 58.7 9.7 39.0 223 228 A H H > S+ 0 0 58 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.884 127.1 44.0 -55.2 -46.7 56.1 9.1 41.8 224 229 A I H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.951 113.3 48.9 -68.8 -49.3 58.4 6.9 44.0 225 230 A D H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 113.4 49.7 -53.5 -42.7 61.5 9.1 43.6 226 231 A Q H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.906 106.9 53.4 -65.5 -42.4 59.2 12.1 44.5 227 232 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.904 109.3 50.4 -57.4 -40.0 57.8 10.3 47.6 228 233 A K H X S+ 0 0 108 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 108.5 51.3 -64.5 -44.5 61.4 9.7 48.7 229 234 A L H X S+ 0 0 34 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.916 113.2 46.9 -56.6 -44.0 62.2 13.4 48.2 230 235 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.931 113.3 45.8 -63.9 -48.8 59.1 14.2 50.3 231 236 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.790 103.4 63.0 -71.5 -26.5 59.9 11.7 53.2 232 237 A R H < S+ 0 0 141 -4,-2.3 31,-0.3 -5,-0.2 -1,-0.2 0.934 114.1 36.5 -62.0 -40.1 63.5 12.8 53.4 233 238 A L H < S+ 0 0 11 -4,-1.2 30,-2.2 -3,-0.3 -2,-0.2 0.934 130.3 26.6 -75.8 -50.0 62.2 16.2 54.4 234 239 A V H < S- 0 0 19 -4,-2.6 28,-0.3 28,-0.2 52,-0.2 0.505 107.3-115.2-100.0 -3.3 59.1 15.4 56.5 235 240 A G < - 0 0 4 -4,-2.2 -1,-0.2 26,-0.4 -2,-0.1 0.015 38.9 -65.0 87.1 159.0 60.0 12.0 57.8 236 241 A T - 0 0 25 24,-2.1 26,-0.1 1,-0.1 50,-0.1 -0.422 69.9 -79.6 -75.2 157.7 58.3 8.7 57.2 237 242 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.214 42.4-131.2 -60.6 148.5 54.7 8.2 58.5 238 243 A G >> - 0 0 45 -3,-0.1 4,-2.2 1,-0.1 3,-0.7 -0.413 35.3 -93.6 -88.5 173.5 54.0 7.4 62.1 239 244 A A H 3> S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.867 124.6 60.0 -56.1 -36.8 51.7 4.6 63.2 240 245 A E H 3> S+ 0 0 116 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.872 109.7 40.6 -60.7 -39.7 48.8 7.0 63.5 241 246 A L H X> S+ 0 0 8 -3,-0.7 3,-0.9 2,-0.2 4,-0.6 0.919 107.2 60.1 -78.6 -43.8 49.0 7.9 59.8 242 247 A L H >< S+ 0 0 33 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.882 103.6 54.7 -48.6 -41.3 49.7 4.4 58.5 243 248 A K H 3< S+ 0 0 178 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.847 103.2 55.3 -62.2 -36.3 46.3 3.5 60.0 244 249 A K H << S+ 0 0 65 -3,-0.9 2,-0.9 -4,-0.8 -1,-0.2 0.482 81.2 99.0 -79.0 -5.0 44.6 6.3 58.0 245 250 A I << - 0 0 0 -3,-1.2 -52,-0.2 -4,-0.6 6,-0.1 -0.775 55.3-170.3 -83.6 108.9 45.8 5.0 54.6 246 251 A S + 0 0 82 -2,-0.9 2,-0.7 -54,-0.5 -53,-0.2 0.693 62.2 91.1 -76.7 -20.3 42.8 3.0 53.3 247 252 A S > - 0 0 38 -55,-2.0 4,-2.0 1,-0.2 5,-0.2 -0.711 61.9-163.7 -76.5 112.5 44.8 1.5 50.4 248 253 A E H > S+ 0 0 135 -2,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.910 90.2 51.0 -60.2 -45.7 46.2 -1.8 51.8 249 254 A S H > S+ 0 0 94 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.868 111.1 45.9 -61.7 -43.7 48.6 -1.9 49.0 250 255 A A H > S+ 0 0 13 2,-0.2 4,-2.3 -59,-0.2 -1,-0.2 0.870 113.2 51.0 -67.5 -39.6 49.9 1.6 49.5 251 256 A R H X S+ 0 0 60 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.961 107.8 52.4 -62.0 -51.7 50.2 1.1 53.2 252 257 A N H < S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 111.6 47.4 -54.3 -34.1 52.2 -2.1 52.7 253 258 A Y H >< S+ 0 0 79 -4,-1.2 3,-2.2 2,-0.2 4,-0.3 0.936 108.2 51.5 -75.1 -49.7 54.6 -0.3 50.4 254 259 A I H >< S+ 0 0 6 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.828 103.7 61.3 -59.8 -28.6 55.3 2.7 52.6 255 260 A Q T 3< S+ 0 0 116 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.566 91.3 67.9 -74.2 -7.6 56.0 0.3 55.5 256 261 A S T < S+ 0 0 84 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 0.528 82.5 100.1 -87.2 -3.8 58.9 -1.2 53.5 257 262 A L S < S- 0 0 33 -3,-1.3 2,-0.3 -4,-0.3 3,-0.1 -0.612 84.2-107.1 -90.3 141.2 60.9 2.1 53.8 258 263 A T - 0 0 125 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.474 47.0-108.0 -62.8 122.0 63.7 2.7 56.4 259 264 A Q - 0 0 169 -2,-0.3 -1,-0.1 -4,-0.1 -4,-0.0 -0.227 42.4-174.0 -54.9 136.2 62.2 5.1 59.0 260 265 A M - 0 0 67 -29,-0.1 -24,-2.1 -3,-0.1 2,-0.1 -0.983 18.1-124.8-132.9 145.8 63.5 8.6 58.7 261 266 A P - 0 0 108 0, 0.0 -26,-0.4 0, 0.0 2,-0.3 -0.451 36.9 -88.7 -85.5 162.7 63.0 11.6 60.9 262 267 A K - 0 0 100 -28,-0.3 -28,-0.2 -2,-0.1 -29,-0.1 -0.545 48.9-124.2 -66.9 129.7 61.7 15.0 59.9 263 268 A M - 0 0 82 -30,-2.2 2,-0.6 -31,-0.3 -1,-0.1 -0.303 27.6 -94.2 -72.2 159.4 64.6 17.3 58.9 264 269 A N >> - 0 0 90 1,-0.2 3,-1.0 2,-0.0 4,-0.5 -0.659 31.1-155.5 -73.0 114.2 65.3 20.7 60.4 265 270 A F H >> S+ 0 0 1 -2,-0.6 4,-2.8 1,-0.2 3,-0.6 0.798 92.0 61.8 -68.1 -27.7 63.6 23.2 58.2 266 271 A A H 34 S+ 0 0 54 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.717 104.7 50.3 -66.5 -22.4 66.0 26.0 59.2 267 272 A N H <4 S+ 0 0 114 -3,-1.0 3,-0.3 3,-0.1 -1,-0.2 0.541 114.9 42.0 -90.7 -9.8 68.8 23.9 57.7 268 273 A V H << S+ 0 0 49 -3,-0.6 2,-1.2 -4,-0.5 -2,-0.2 0.847 118.3 43.3 -96.0 -51.3 66.9 23.4 54.4 269 274 A F S >< S- 0 0 7 -4,-2.8 3,-2.0 -5,-0.1 -1,-0.2 -0.456 89.2-167.6 -92.1 61.0 65.6 26.9 54.0 270 275 A I T 3 + 0 0 142 -2,-1.2 -3,-0.1 1,-0.3 -4,-0.1 -0.251 67.1 6.5 -57.4 124.9 68.9 28.6 55.0 271 276 A G T 3 S+ 0 0 81 -5,-0.3 -1,-0.3 1,-0.3 -5,-0.1 0.412 95.6 136.5 85.6 -0.3 68.7 32.3 55.7 272 277 A A < - 0 0 30 -3,-2.0 -1,-0.3 -6,-0.2 -3,-0.0 -0.321 69.3 -79.7 -78.1 160.9 64.9 32.5 55.3 273 278 A N >> - 0 0 46 1,-0.2 4,-2.3 2,-0.1 3,-1.0 -0.406 38.0-134.8 -54.9 124.4 62.5 34.4 57.6 274 279 A P H 3> S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.857 108.7 54.5 -53.4 -35.7 62.0 32.2 60.7 275 280 A L H 3> S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.786 105.7 51.4 -67.1 -31.8 58.3 32.9 60.4 276 281 A A H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.901 109.7 50.2 -70.8 -41.1 58.4 31.6 56.8 277 282 A V H X S+ 0 0 14 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 109.9 50.9 -59.9 -46.0 60.1 28.5 58.0 278 283 A D H X S+ 0 0 54 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.954 109.6 48.9 -59.0 -53.8 57.4 28.0 60.7 279 284 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.4 0.894 109.9 53.0 -55.3 -40.9 54.5 28.4 58.3 280 285 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 3,-0.5 0.912 105.5 53.8 -62.0 -41.0 56.2 25.9 55.9 281 286 A E H < S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 110.1 48.4 -61.5 -28.0 56.5 23.3 58.8 282 287 A K H < S+ 0 0 88 -4,-1.4 10,-2.1 -3,-0.4 3,-0.3 0.673 115.9 42.7 -87.5 -20.3 52.7 23.7 59.4 283 288 A M H < S+ 0 0 0 -4,-1.3 2,-1.4 -3,-0.5 -2,-0.2 0.840 106.6 59.1 -88.9 -43.8 51.9 23.3 55.7 284 289 A L S < S+ 0 0 4 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.375 71.7 138.9 -90.6 54.9 54.2 20.4 54.8 285 290 A V - 0 0 40 -2,-1.4 6,-0.1 -3,-0.3 -3,-0.1 -0.884 51.2-142.7 -98.8 131.9 52.8 18.0 57.3 286 291 A L S S+ 0 0 17 -2,-0.5 2,-0.7 -52,-0.2 -99,-0.2 0.925 87.3 72.3 -62.1 -45.0 52.4 14.4 56.0 287 292 A D S > S- 0 0 13 1,-0.2 3,-1.6 -3,-0.1 4,-0.5 -0.613 71.4-157.4 -75.5 111.6 49.1 13.9 57.8 288 293 A S G > S+ 0 0 8 -2,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.809 90.5 65.2 -60.2 -33.7 46.4 16.0 56.0 289 294 A D G 3 S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.795 107.4 43.9 -54.8 -28.8 44.3 16.0 59.2 290 295 A K G < S+ 0 0 115 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.435 85.5 113.7-101.6 -4.8 47.1 18.0 60.8 291 296 A R S < S- 0 0 7 -3,-0.9 -8,-0.2 -4,-0.5 2,-0.2 -0.337 76.5-101.6 -66.5 152.2 47.9 20.5 58.1 292 297 A I - 0 0 19 -10,-2.1 2,-0.2 -13,-0.2 -1,-0.1 -0.515 37.4-128.7 -71.5 140.7 47.2 24.2 58.7 293 298 A T > - 0 0 44 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.520 19.4-113.1 -87.0 161.4 44.1 25.3 56.9 294 299 A A H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -159,-0.2 0.906 119.0 53.8 -60.6 -41.3 44.1 28.4 54.7 295 300 A A H > S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.928 112.3 43.9 -59.9 -42.4 41.8 30.2 57.3 296 301 A Q H >4 S+ 0 0 110 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.881 110.7 56.4 -68.5 -38.1 44.3 29.4 60.0 297 302 A A H >< S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.2 6,-0.3 0.887 96.3 62.5 -63.2 -42.3 47.2 30.4 57.8 298 303 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 103.3 50.9 -54.7 -28.6 45.9 33.9 57.1 299 304 A A T << S+ 0 0 66 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.307 85.5 118.5 -91.4 2.2 46.2 34.7 60.8 300 305 A H S X S- 0 0 22 -3,-2.4 3,-1.7 1,-0.1 7,-0.1 -0.425 77.5-115.4 -72.7 148.1 49.8 33.5 61.1 301 306 A A G > S+ 0 0 57 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.771 109.3 72.5 -54.7 -31.8 52.5 36.0 62.1 302 307 A Y G 3 S+ 0 0 5 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.824 101.5 44.3 -53.4 -35.1 54.2 35.8 58.7 303 308 A F G X> S+ 0 0 0 -3,-1.7 4,-3.1 -6,-0.3 3,-1.0 0.085 72.7 123.0 -98.3 21.5 51.3 37.7 57.2 304 309 A A T <4 S+ 0 0 77 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.862 75.1 53.9 -48.7 -39.2 51.1 40.4 59.9 305 310 A Q T 34 S+ 0 0 150 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.780 121.5 24.1 -67.5 -34.4 51.6 43.0 57.2 306 311 A Y T <4 S+ 0 0 65 -3,-1.0 -2,-0.2 -8,-0.1 -1,-0.2 0.671 90.1 114.3-109.3 -21.2 48.8 42.0 54.9 307 312 A H < + 0 0 60 -4,-3.1 5,-0.1 -7,-0.1 -8,-0.1 -0.306 30.5 166.0 -61.4 122.0 46.4 40.2 57.2 308 313 A D > - 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