==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-09 3IW7 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,D.RAUH . 335 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 61.2 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 12.5 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.3 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 0 1 0 0 1 1 0 1 0 1 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 3 2 0 2 0 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 . 2 0 0 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 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 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.0 43.0 -15.9 -27.7 2 5 A R - 0 0 110 1,-0.1 3,-0.1 88,-0.0 88,-0.0 -0.521 360.0-124.6 -59.9 119.6 42.6 -13.2 -25.0 3 6 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.205 24.5-101.0 -63.8 162.2 41.8 -9.9 -26.9 4 7 A T - 0 0 86 1,-0.0 15,-2.3 2,-0.0 16,-0.2 -0.714 41.0-158.2 -88.0 135.0 43.9 -6.8 -26.4 5 8 A F E -A 18 0A 25 -2,-0.4 2,-0.3 13,-0.3 11,-0.1 -0.451 7.2-160.5-102.7 175.7 42.4 -4.3 -24.1 6 9 A Y E -A 17 0A 55 11,-1.2 11,-1.7 -2,-0.2 2,-0.2 -0.953 14.2-127.8-153.5 149.2 42.9 -0.5 -23.7 7 10 A R + 0 0 150 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.517 30.0 159.7 -91.2 167.7 42.1 2.0 -20.9 8 11 A Q - 0 0 68 7,-0.4 7,-3.0 -2,-0.2 2,-0.6 -0.871 34.6-124.5-179.2 152.5 40.2 5.3 -21.1 9 12 A E E +B 14 0B 124 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.944 31.4 179.7-120.0 114.5 38.4 7.4 -18.6 10 13 A L E > -B 13 0B 18 3,-3.1 3,-0.8 -2,-0.6 15,-0.1 -0.929 63.4 -10.8-121.4 137.7 34.8 8.2 -19.2 11 14 A N T 3 S- 0 0 123 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.742 133.4 -48.7 51.8 28.4 32.2 10.3 -17.3 12 15 A K T 3 S+ 0 0 184 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.817 122.4 91.2 77.0 38.2 34.8 10.3 -14.4 13 16 A T E < S-B 10 0B 48 -3,-0.8 -3,-3.1 2,-0.0 2,-0.3 -0.961 74.5-110.5-156.2 145.5 35.6 6.6 -14.3 14 17 A I E -B 9 0B 74 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.552 28.7-166.3 -76.7 136.0 38.2 4.2 -15.9 15 18 A W - 0 0 4 -7,-3.0 2,-0.6 -2,-0.3 -7,-0.4 -0.992 6.6-165.6-125.5 123.4 36.9 1.7 -18.5 16 19 A E + 0 0 44 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.957 25.1 158.6-110.8 116.2 39.0 -1.3 -19.8 17 20 A V E -A 6 0A 2 -11,-1.7 -11,-1.2 -2,-0.6 -2,-0.0 -0.923 43.7 -91.9-136.1 150.1 37.6 -2.8 -22.9 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.5 0, 0.0 -13,-0.3 -0.283 42.6-110.1 -57.2 154.3 38.7 -5.0 -25.9 19 22 A E T 3 S+ 0 0 104 -15,-2.3 21,-0.1 1,-0.3 -14,-0.1 0.735 110.8 72.5 -62.4 -30.5 40.0 -3.2 -29.0 20 23 A R T 3 S+ 0 0 66 -16,-0.2 20,-2.9 1,-0.1 2,-1.0 0.822 84.3 79.4 -52.9 -33.7 37.0 -4.2 -31.1 21 24 A Y E < +C 39 0C 1 -3,-1.5 3,-0.2 18,-0.2 18,-0.2 -0.702 69.1 173.7 -87.5 102.3 35.0 -1.7 -29.1 22 25 A Q E +C 38 0C 72 16,-2.7 16,-3.3 -2,-1.0 -2,-0.0 -0.612 44.2 24.4-106.8 159.2 35.7 1.7 -30.5 23 26 A N E S- 0 0 124 -2,-0.2 -1,-0.2 14,-0.2 2,-0.1 0.848 70.3-158.5 57.6 50.3 34.5 5.3 -29.9 24 27 A L E + 0 0 13 -3,-0.2 13,-0.2 13,-0.1 -1,-0.2 -0.353 16.2 174.4 -63.2 130.0 33.1 5.0 -26.4 25 28 A S E -C 36 0C 65 11,-2.6 11,-3.5 -2,-0.1 -15,-0.0 -0.974 30.3-116.7-141.6 116.9 30.5 7.7 -25.5 26 29 A P E +C 35 0C 39 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.178 27.6 175.5 -47.6 138.9 28.5 7.9 -22.2 27 30 A V E - 0 0 66 7,-2.8 2,-0.3 1,-0.4 8,-0.2 0.429 51.2 -95.2-125.9 -6.6 24.7 7.6 -22.3 28 31 A G E C 34 0C 25 6,-1.1 6,-2.2 139,-0.1 -1,-0.4 -0.912 360.0 360.0 136.9-156.8 23.9 7.6 -18.6 29 32 A S 0 0 108 -2,-0.3 4,-0.2 4,-0.2 20,-0.0 -0.941 360.0 360.0-113.9 360.0 23.2 5.4 -15.6 30 ! 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 31 35 A Y 0 0 143 0, 0.0 21,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 2.2 23.8 -0.7 -10.9 32 36 A G E - D 0 51C 11 19,-0.3 2,-0.3 21,-0.0 19,-0.2 -0.956 360.0 -99.0-177.1 170.0 26.2 0.6 -13.6 33 37 A S E - D 0 50C 27 17,-1.3 17,-2.4 -2,-0.3 2,-0.4 -0.728 34.1-146.6 -97.9 155.1 27.2 3.2 -16.2 34 38 A V E -CD 28 49C 14 -6,-2.2 -7,-2.8 -2,-0.3 -6,-1.1 -0.978 11.4-169.9-129.8 128.7 26.6 2.7 -19.8 35 39 A C E -CD 26 48C 2 13,-2.9 13,-3.2 -2,-0.4 2,-0.3 -0.946 20.4-134.2-110.8 141.8 28.5 3.8 -22.9 36 40 A A E +CD 25 47C 14 -11,-3.5 -11,-2.6 -2,-0.4 2,-0.3 -0.636 40.2 163.2 -73.9 148.4 27.5 3.7 -26.5 37 41 A A E - D 0 46C 7 9,-1.9 9,-2.8 -2,-0.3 2,-0.5 -0.953 37.8-108.5-159.3 170.0 30.3 2.3 -28.7 38 42 A F E -CD 22 45C 80 -16,-3.3 -16,-2.7 -2,-0.3 2,-1.0 -0.955 20.2-145.0-113.3 127.8 31.0 0.8 -32.1 39 43 A D E >> -CD 21 44C 2 5,-3.4 4,-3.0 -2,-0.5 5,-1.0 -0.776 11.1-171.4 -94.5 99.4 31.8 -2.9 -32.4 40 44 A T T 45S+ 0 0 77 -20,-2.9 -1,-0.2 -2,-1.0 -19,-0.1 0.687 82.4 59.7 -61.6 -20.0 34.4 -3.2 -35.3 41 45 A K T 45S+ 0 0 157 -21,-0.2 -1,-0.2 1,-0.1 -20,-0.0 0.911 122.8 18.8 -76.2 -46.9 34.0 -7.0 -35.2 42 46 A T T 45S- 0 0 75 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.663 100.5-124.0 -92.8 -21.8 30.3 -7.2 -36.0 43 47 A G T <5 + 0 0 43 -4,-3.0 2,-0.4 1,-0.3 -3,-0.2 0.698 66.9 136.8 80.7 22.4 30.0 -3.7 -37.4 44 48 A L E < -D 39 0C 63 -5,-1.0 -5,-3.4 59,-0.0 2,-0.4 -0.799 60.0-124.9-109.5 143.0 27.3 -3.0 -34.8 45 49 A R E -D 38 0C 148 -2,-0.4 59,-2.2 -7,-0.2 2,-0.3 -0.711 43.0-172.6 -77.4 133.1 26.6 -0.0 -32.6 46 50 A V E -DE 37 103C 0 -9,-2.8 -9,-1.9 -2,-0.4 2,-0.5 -0.838 30.0-131.2-128.1 157.5 26.4 -1.4 -29.0 47 51 A A E -DE 36 102C 17 55,-3.4 55,-2.5 -2,-0.3 2,-0.5 -0.974 25.9-163.3-105.7 130.3 25.6 -0.4 -25.4 48 52 A V E -DE 35 101C 0 -13,-3.2 -13,-2.9 -2,-0.5 2,-0.5 -0.975 1.5-161.4-117.2 123.1 28.3 -1.4 -23.0 49 53 A K E -DE 34 100C 33 51,-3.2 51,-3.2 -2,-0.5 2,-0.6 -0.934 6.1-157.7-111.7 128.1 27.5 -1.5 -19.3 50 54 A K E -DE 33 99C 27 -17,-2.4 -17,-1.3 -2,-0.5 49,-0.2 -0.911 27.2-124.1-100.7 113.4 30.2 -1.5 -16.6 51 55 A L E -D 32 0C 7 47,-2.4 2,-0.6 -2,-0.6 -19,-0.3 -0.276 22.9-119.8 -62.4 137.6 28.8 -2.9 -13.3 52 56 A S S S- 0 0 64 -21,-3.2 -1,-0.1 1,-0.2 45,-0.0 -0.699 79.3 -29.3 -84.2 115.7 29.1 -0.6 -10.3 53 57 A R S > S- 0 0 159 -2,-0.6 3,-1.2 1,-0.1 4,-0.4 0.871 77.8-177.8 51.3 54.7 31.1 -2.1 -7.4 54 58 A P T 3 S+ 0 0 5 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.792 72.3 25.9 -64.7 -35.2 30.2 -5.7 -8.4 55 59 A F T 3 S+ 0 0 19 41,-0.3 -2,-0.1 1,-0.1 268,-0.1 -0.087 88.5 105.2-121.5 33.2 32.0 -7.7 -5.6 56 60 A Q S < S+ 0 0 116 -3,-1.2 2,-0.3 1,-0.1 -1,-0.1 0.794 89.1 15.5 -83.1 -36.6 32.1 -5.1 -2.8 57 61 A S S > S- 0 0 34 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.885 79.8-110.2-128.3 166.0 29.4 -6.6 -0.7 58 62 A I H > S+ 0 0 89 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.898 122.3 51.6 -54.7 -42.5 27.6 -10.0 -0.6 59 63 A I H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 109.9 46.3 -68.9 -40.3 24.5 -8.1 -1.9 60 64 A H H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 114.5 49.2 -62.3 -45.1 26.4 -6.5 -4.8 61 65 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.893 110.7 49.4 -60.7 -47.7 28.0 -9.9 -5.7 62 66 A K H X S+ 0 0 57 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.854 112.9 48.0 -57.8 -41.1 24.6 -11.6 -5.5 63 67 A R H X S+ 0 0 96 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.807 109.0 52.1 -70.6 -38.2 23.1 -9.0 -7.8 64 68 A T H X S+ 0 0 8 -4,-1.9 4,-3.0 -10,-0.4 5,-0.2 0.943 111.9 47.1 -63.1 -48.3 25.9 -9.1 -10.3 65 69 A Y H X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.878 113.1 49.5 -61.9 -41.4 25.5 -12.9 -10.5 66 70 A R H X S+ 0 0 103 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.918 113.1 45.1 -64.8 -47.1 21.7 -12.4 -10.9 67 71 A E H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.961 115.1 47.8 -62.9 -49.7 22.0 -9.9 -13.7 68 72 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.931 113.4 47.7 -55.7 -50.7 24.6 -11.9 -15.5 69 73 A R H X S+ 0 0 51 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.875 113.4 47.3 -57.6 -42.9 22.6 -15.1 -15.2 70 74 A L H >X S+ 0 0 26 -4,-2.2 4,-1.9 2,-0.2 3,-0.8 0.968 112.7 47.6 -64.0 -54.5 19.3 -13.5 -16.4 71 75 A L H 3< S+ 0 0 15 -4,-2.5 11,-0.7 1,-0.3 -1,-0.2 0.827 110.0 53.2 -58.5 -33.9 20.9 -11.7 -19.4 72 76 A K H 3< S+ 0 0 38 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.791 111.7 47.2 -71.5 -27.0 22.6 -14.9 -20.4 73 77 A H H << S+ 0 0 38 -4,-1.2 2,-0.6 -3,-0.8 233,-0.2 0.806 91.1 91.0 -78.2 -34.0 19.3 -16.7 -20.4 74 78 A M < + 0 0 15 -4,-1.9 8,-0.4 6,-0.1 2,-0.3 -0.567 42.8 156.5 -77.3 112.3 17.3 -14.1 -22.3 75 79 A K + 0 0 166 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.739 29.1 109.4-140.7 83.3 17.5 -14.9 -26.0 76 80 A H B > S-G 79 0D 21 3,-0.5 3,-1.6 -2,-0.3 57,-0.0 -0.975 71.1-115.8-161.2 142.5 14.5 -13.4 -27.8 77 81 A E T 3 S+ 0 0 118 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.759 114.7 42.3 -55.6 -33.0 14.0 -10.4 -30.3 78 82 A N T 3 S+ 0 0 9 83,-0.1 84,-3.0 2,-0.1 2,-0.4 0.187 104.8 73.5-106.1 15.7 12.0 -8.4 -27.8 79 83 A V B < S-Gh 76 162D 9 -3,-1.6 -3,-0.5 82,-0.3 2,-0.2 -0.990 87.3-110.1-128.3 135.7 14.0 -9.0 -24.7 80 84 A I + 0 0 11 82,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.477 49.1 164.3 -63.7 131.9 17.5 -7.5 -24.0 81 85 A G - 0 0 14 -2,-0.2 2,-0.5 -4,-0.1 -9,-0.1 -0.671 36.1 -74.8-133.1-166.0 20.2 -10.1 -24.1 82 86 A L + 0 0 17 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.839 27.4 171.9-106.5 126.0 23.9 -10.3 -24.4 83 87 A L S S- 0 0 27 18,-3.4 2,-0.3 -2,-0.5 19,-0.2 0.727 83.2 -11.2 -85.5 -31.0 26.2 -9.8 -27.4 84 88 A D E -F 101 0C 24 17,-1.5 17,-2.6 251,-0.1 -1,-0.4 -0.989 51.6-161.2-159.9 156.0 29.2 -10.0 -25.1 85 89 A V E +F 100 0C 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.941 27.9 165.6-140.9 128.4 30.4 -10.2 -21.5 86 90 A F E -F 99 0C 13 13,-2.0 13,-2.8 -2,-0.3 3,-0.1 -0.939 24.1-165.7-141.5 161.5 34.0 -9.5 -20.6 87 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.982 28.3-133.6-136.5 143.5 36.5 -8.7 -17.8 88 92 A P S S+ 0 0 14 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 0.895 75.2 115.5 -56.1 -40.6 40.1 -7.3 -18.0 89 93 A A - 0 0 14 8,-0.2 -2,-0.2 5,-0.2 6,-0.1 0.060 52.6-164.3 -32.6 123.6 41.0 -10.1 -15.4 90 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -88,-0.0 -1,-0.1 0.632 78.1 6.5 -87.1 -13.4 43.4 -12.9 -16.6 91 95 A S S > S- 0 0 36 1,-0.1 4,-0.6 0, 0.0 3,-0.5 -0.925 84.8 -93.3-155.1 174.7 42.3 -15.0 -13.6 92 96 A L T >4 S+ 0 0 53 -2,-0.3 3,-0.7 1,-0.2 -3,-0.1 0.834 115.8 66.7 -63.6 -35.5 39.9 -15.2 -10.7 93 97 A E T 34 S+ 0 0 157 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.844 110.5 33.8 -58.7 -36.6 42.4 -13.6 -8.4 94 98 A E T 34 S+ 0 0 106 -3,-0.5 2,-0.4 -6,-0.0 -1,-0.2 0.482 85.5 127.2 -99.6 0.6 42.2 -10.3 -10.3 95 99 A F << + 0 0 0 -3,-0.7 3,-0.1 -4,-0.6 232,-0.1 -0.406 18.8 128.9 -59.4 110.7 38.5 -10.5 -11.2 96 100 A N + 0 0 101 -2,-0.4 -41,-0.3 1,-0.3 2,-0.3 0.370 56.5 54.9-144.1 -4.7 37.0 -7.2 -10.0 97 101 A D - 0 0 47 -3,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.995 53.4-164.4-142.9 144.5 35.0 -5.8 -12.9 98 102 A V - 0 0 0 -2,-0.3 -47,-2.4 -47,-0.2 2,-0.4 -0.999 5.3-166.1-131.3 127.9 32.3 -7.0 -15.2 99 103 A Y E -EF 50 86C 1 -13,-2.8 -13,-2.0 -2,-0.4 2,-0.4 -0.952 6.0-158.7-114.8 136.1 31.3 -5.4 -18.6 100 104 A L E -EF 49 85C 7 -51,-3.2 -51,-3.2 -2,-0.4 2,-0.4 -0.915 5.2-160.3-116.2 141.3 28.1 -6.3 -20.4 101 105 A V E +EF 48 84C 0 -17,-2.6 -18,-3.4 -2,-0.4 -17,-1.5 -0.973 19.7 148.2-127.5 132.8 27.4 -5.7 -24.1 102 106 A T E -E 47 0C 22 -55,-2.5 -55,-3.4 -2,-0.4 -20,-0.1 -0.954 51.9 -64.5-147.9 167.5 24.2 -5.5 -26.1 103 107 A H E -E 46 0C 68 -2,-0.3 2,-0.6 -57,-0.3 -57,-0.3 -0.237 49.5-120.6 -47.3 135.4 22.7 -3.8 -29.2 104 108 A L + 0 0 33 -59,-2.2 -59,-0.1 1,-0.2 -1,-0.1 -0.767 31.8 178.1 -80.6 120.6 22.4 -0.0 -28.9 105 109 A M - 0 0 20 -2,-0.6 51,-0.3 50,-0.1 -1,-0.2 0.842 23.0-151.9 -90.0 -44.0 18.7 0.7 -29.3 106 110 A G + 0 0 64 -3,-0.2 2,-0.3 49,-0.1 49,-0.1 0.085 62.1 43.2 105.3 -20.2 19.3 4.4 -28.9 107 111 A A E -I 154 0D 22 47,-1.1 47,-3.3 4,-0.0 2,-0.2 -0.976 62.5-143.3-150.0 153.4 15.9 5.4 -27.4 108 112 A D E >> -I 153 0D 25 -2,-0.3 4,-1.6 45,-0.3 2,-0.7 -0.607 52.3 -76.6-109.0-177.7 13.3 4.3 -24.8 109 113 A L T 34 S+ 0 0 4 40,-2.0 41,-0.2 43,-1.2 44,-0.1 0.048 128.0 52.2 -77.4 30.8 9.5 4.5 -25.1 110 114 A N T 3> S+ 0 0 72 -2,-0.7 4,-2.9 39,-0.2 -1,-0.2 0.545 106.5 49.6-117.3 -41.2 9.5 8.3 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59.9 -61.1 -43.3 -10.4 3.0 -8.7 222 237 A R H < S+ 0 0 164 -4,-2.3 -1,-0.2 -5,-0.2 31,-0.2 0.906 115.4 34.7 -45.3 -48.9 -12.2 5.8 -10.6 223 238 A L H < S+ 0 0 8 -4,-1.3 30,-2.4 -3,-0.2 -2,-0.2 0.941 129.8 28.8 -78.3 -51.4 -11.6 3.9 -13.9 224 239 A V H < S- 0 0 17 -4,-2.6 28,-0.3 1,-0.2 52,-0.3 0.579 104.1-130.6 -90.2 -10.2 -11.9 0.2 -12.9 225 240 A G < - 0 0 1 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.1 -0.253 35.5 -52.9 90.5 178.8 -14.3 0.6 -9.9 226 241 A T S S- 0 0 20 24,-1.9 26,-0.1 1,-0.2 50,-0.1 -0.595 75.4 -72.1 -93.0 156.9 -14.1 -0.7 -6.4 227 242 A P - 0 0 21 0, 0.0 -1,-0.2 0, 0.0 23,-0.1 -0.172 49.2-139.2 -49.3 131.8 -13.6 -4.4 -5.7 228 243 A G > - 0 0 39 -3,-0.1 4,-1.6 21,-0.1 3,-0.0 -0.179 33.0 -91.1 -74.5-176.6 -16.6 -6.6 -6.4 229 244 A A H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.0 0.848 123.3 55.0 -72.7 -39.1 -17.7 -9.4 -4.1 230 245 A E H 4 S+ 0 0 111 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.881 111.7 47.5 -56.6 -39.3 -15.7 -12.2 -5.7 231 246 A L H >4 S+ 0 0 24 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.837 106.1 55.5 -76.1 -34.6 -12.6 -10.1 -5.2 232 247 A L H >< S+ 0 0 29 -4,-1.6 3,-2.0 1,-0.2 -1,-0.2 0.895 99.0 63.2 -61.4 -41.3 -13.3 -9.2 -1.6 233 248 A K T 3< S+ 0 0 180 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.695 99.2 55.9 -55.2 -21.1 -13.5 -12.9 -0.8 234 249 A K T < S+ 0 0 81 -3,-1.1 2,-0.7 -4,-0.3 -1,-0.3 0.261 81.0 103.4 -96.7 9.2 -9.8 -13.2 -1.9 235 250 A I < - 0 0 15 -3,-2.0 6,-0.0 1,-0.1 -3,-0.0 -0.846 43.6-179.2 -99.6 111.6 -8.5 -10.6 0.6 236 251 A S + 0 0 117 -2,-0.7 2,-0.6 5,-0.0 -1,-0.1 0.693 58.3 90.8 -82.2 -22.6 -6.8 -12.2 3.6 237 252 A S > - 0 0 52 1,-0.2 4,-2.9 2,-0.0 5,-0.1 -0.677 63.3-157.7 -82.6 119.2 -5.9 -9.0 5.4 238 253 A E H > S+ 0 0 143 -2,-0.6 4,-3.9 2,-0.2 -1,-0.2 0.897 94.0 50.4 -60.7 -43.3 -8.7 -8.1 7.7 239 254 A S H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 112.4 45.3 -63.1 -45.1 -7.7 -4.4 7.7 240 255 A A H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.968 116.6 48.2 -60.1 -52.0 -7.6 -4.3 3.9 241 256 A R H X S+ 0 0 88 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.932 111.0 49.4 -49.4 -60.3 -10.9 -6.1 3.9 242 257 A N H X S+ 0 0 79 -4,-3.9 4,-2.1 1,-0.2 -1,-0.2 0.887 112.6 48.1 -45.9 -50.9 -12.4 -3.7 6.5 243 258 A Y H X S+ 0 0 151 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.893 111.7 47.5 -62.1 -46.6 -11.3 -0.6 4.6 244 259 A I H >< S+ 0 0 34 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.940 112.0 51.4 -61.6 -46.0 -12.6 -1.8 1.2 245 260 A Q H 3< S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.837 106.0 54.8 -60.6 -35.6 -15.9 -2.8 2.8 246 261 A S H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.637 92.7 102.7 -65.3 -17.1 -16.1 0.7 4.4 247 262 A L S << S- 0 0 45 -3,-1.5 2,-0.8 -4,-0.6 -3,-0.0 -0.356 81.7-116.2 -72.5 149.6 -15.7 2.1 0.8 248 263 A T - 0 0 119 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.803 43.2-104.7 -85.2 112.1 -18.7 3.4 -1.1 249 264 A Q - 0 0 171 -2,-0.8 -1,-0.1 -4,-0.1 -21,-0.1 -0.038 38.8-160.8 -38.4 126.2 -19.1 1.1 -4.1 250 265 A M - 0 0 70 -23,-0.1 -24,-1.9 -29,-0.0 2,-0.2 -0.958 15.9-121.5-118.0 134.4 -17.8 2.8 -7.2 251 266 A P - 0 0 104 0, 0.0 -26,-0.3 0, 0.0 2,-0.2 -0.544 24.7-109.1 -85.0 142.0 -18.9 1.6 -10.7 252 267 A K - 0 0 110 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.463 40.8-120.5 -59.7 130.8 -16.5 0.5 -13.4 253 268 A M - 0 0 88 -30,-2.4 2,-0.7 -31,-0.2 -1,-0.1 -0.375 22.2-106.9 -72.7 154.8 -16.3 3.1 -16.2 254 269 A N >> - 0 0 79 1,-0.1 3,-1.8 -2,-0.1 4,-0.6 -0.768 24.5-153.1 -83.4 118.0 -17.2 2.3 -19.7 255 270 A F H 3> S+ 0 0 2 -2,-0.7 4,-3.2 1,-0.3 3,-0.5 0.755 91.6 68.8 -68.8 -26.6 -13.9 2.2 -21.6 256 271 A A H 34 S+ 0 0 50 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.716 105.0 45.2 -60.7 -21.1 -15.6 3.1 -24.9 257 272 A N H <4 S+ 0 0 105 -3,-1.8 3,-0.3 3,-0.1 -1,-0.2 0.567 112.8 49.0 -94.5 -17.3 -16.1 6.5 -23.2 258 273 A V H < S+ 0 0 47 -4,-0.6 2,-1.1 -3,-0.5 -2,-0.2 0.887 115.4 42.8 -85.6 -45.6 -12.6 6.8 -21.8 259 274 A F S >< S- 0 0 8 -4,-3.2 3,-1.5 3,-0.1 2,-0.3 -0.616 85.9-164.7-105.6 75.7 -10.9 6.0 -25.1 260 275 A I T 3 - 0 0 120 -2,-1.1 -3,-0.1 -3,-0.3 -4,-0.1 -0.431 69.3 -0.1 -68.3 119.1 -13.0 8.0 -27.5 261 276 A G T 3 S+ 0 0 81 -5,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.512 93.0 137.6 82.8 6.3 -12.6 7.1 -31.2 262 277 A A S < S- 0 0 30 -3,-1.5 -1,-0.3 1,-0.2 5,-0.1 -0.563 71.3 -78.5 -79.8 149.6 -10.0 4.3 -30.6 263 278 A N > - 0 0 49 -2,-0.2 4,-1.6 1,-0.2 3,-0.5 -0.161 40.7-128.8 -35.0 128.6 -10.3 1.1 -32.6 264 279 A P H > S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.799 109.9 57.2 -64.5 -24.0 -13.0 -1.0 -30.8 265 280 A L H > S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 27,-0.2 0.848 103.6 52.7 -69.6 -34.8 -10.6 -3.9 -30.7 266 281 A A H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.862 111.2 46.9 -63.0 -40.6 -8.1 -1.7 -28.8 267 282 A V H X S+ 0 0 14 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.933 110.9 50.6 -69.0 -48.7 -10.8 -0.9 -26.2 268 283 A D H X S+ 0 0 62 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.948 111.7 49.1 -54.6 -51.3 -11.9 -4.5 -25.9 269 284 A L H >X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 3,-0.6 0.897 109.1 52.4 -54.2 -45.5 -8.2 -5.4 -25.3 270 285 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.858 104.8 55.3 -61.5 -38.8 -7.8 -2.6 -22.6 271 286 A E H 3< S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 109.9 47.8 -59.7 -30.9 -10.9 -3.9 -20.8 272 287 A K H << S+ 0 0 88 -4,-1.2 10,-2.7 -3,-0.6 3,-0.3 0.671 116.3 42.7 -86.2 -16.9 -9.1 -7.4 -20.6 273 288 A M H < S+ 0 0 0 -4,-1.2 2,-0.5 8,-0.2 -2,-0.2 0.820 110.2 54.7 -91.1 -36.9 -5.8 -5.9 -19.4 274 289 A L < + 0 0 3 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 -0.271 69.8 137.0-105.7 47.4 -7.0 -3.5 -16.9 275 290 A V - 0 0 33 -2,-0.5 6,-0.1 -3,-0.3 5,-0.1 -0.738 54.5-135.2 -90.5 134.6 -9.2 -5.6 -14.6 276 291 A L S S+ 0 0 30 -2,-0.4 2,-0.6 -52,-0.3 -99,-0.2 0.957 92.9 70.9 -52.7 -51.5 -8.9 -4.9 -10.9 277 292 A D S > S- 0 0 14 1,-0.2 3,-1.7 3,-0.1 4,-0.1 -0.563 73.3-156.0 -74.8 114.0 -8.8 -8.7 -10.1 278 293 A S G > S+ 0 0 21 -2,-0.6 3,-1.1 1,-0.3 -1,-0.2 0.741 90.5 65.0 -64.7 -24.5 -5.4 -9.9 -11.4 279 294 A D G 3 S+ 0 0 95 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.660 102.9 50.0 -71.3 -16.0 -6.8 -13.5 -11.7 280 295 A K G < S+ 0 0 105 -3,-1.7 -1,-0.2 -5,-0.1 2,-0.2 0.313 85.4 112.1-104.2 4.3 -9.2 -12.1 -14.4 281 296 A R S < S- 0 0 9 -3,-1.1 -8,-0.2 -4,-0.1 -9,-0.1 -0.547 76.0-105.9 -79.3 143.4 -6.6 -10.3 -16.5 282 297 A I - 0 0 18 -10,-2.7 -1,-0.1 -2,-0.2 2,-0.1 -0.401 37.1-126.4 -60.0 142.3 -5.7 -11.6 -20.0 283 298 A T > - 0 0 55 1,-0.1 4,-2.6 -2,-0.1 5,-0.1 -0.332 21.4-108.2 -84.1 175.0 -2.3 -13.3 -20.2 284 299 A A H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -149,-0.2 0.920 121.0 51.2 -72.8 -43.4 0.4 -12.4 -22.7 285 300 A A H > S+ 0 0 53 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.878 114.4 44.4 -54.0 -45.1 -0.1 -15.6 -24.7 286 301 A Q H >> S+ 0 0 111 2,-0.2 3,-1.2 1,-0.2 4,-0.6 0.923 110.2 53.8 -69.1 -47.5 -3.9 -14.8 -24.8 287 302 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 6,-0.3 0.873 102.2 59.7 -50.4 -41.2 -3.4 -11.1 -25.7 288 303 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 106.1 48.3 -61.9 -25.9 -1.2 -12.2 -28.7 289 304 A A H << S+ 0 0 65 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.495 84.5 116.8 -91.2 -8.1 -4.2 -14.1 -30.1 290 305 A H S X< S- 0 0 18 -3,-1.2 3,-2.0 -4,-0.6 7,-0.1 -0.398 78.5-118.5 -63.6 137.4 -6.6 -11.2 -29.6 291 306 A A G > S+ 0 0 59 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.682 105.7 78.5 -54.4 -23.3 -7.9 -9.9 -33.0 292 307 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.2 -1,-0.3 0.813 97.6 44.4 -52.3 -32.7 -6.3 -6.4 -32.4 293 308 A F G X> S+ 0 0 0 -3,-2.0 4,-3.1 -6,-0.3 3,-1.7 0.008 74.8 125.3-105.4 24.6 -2.9 -8.0 -33.5 294 309 A A T <4 S+ 0 0 77 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.839 71.3 52.6 -50.9 -44.2 -4.2 -9.8 -36.5 295 310 A Q T 34 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.603 123.0 28.6 -71.7 -8.4 -1.7 -8.2 -38.9 296 311 A Y T <4 S+ 0 0 69 -3,-1.7 -2,-0.2 -8,-0.1 -1,-0.2 0.629 88.8 111.5-125.6 -24.4 1.3 -9.2 -36.7 297 312 A H < + 0 0 60 -4,-3.1 5,-0.1 -7,-0.1 -8,-0.1 -0.377 31.2 168.5 -59.6 123.9 0.3 -12.4 -34.8 298 313 A D > - 0 0 73 -2,-0.1 3,-2.6 3,-0.1 -1,-0.0 -0.820 19.8-162.6-135.8 99.3 2.2 -15.5 -35.9 299 314 A P T 3 S+ 0 0 81 0, 0.0 3,-0.4 0, 0.0 -1,-0.0 0.606 90.3 56.1 -60.7 -11.5 1.6 -18.4 -33.5 300 315 A D T 3 S+ 0 0 154 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.448 108.4 45.6 -97.4 -6.2 4.7 -20.2 -34.9 301 316 A D S < S+ 0 0 71 -3,-2.6 -1,-0.2 1,-0.1 -3,-0.1 -0.257 81.8 97.0-131.6 47.6 7.1 -17.4 -34.2 302 317 A E - 0 0 10 -3,-0.4 -1,-0.1 -5,-0.1 -14,-0.0 -0.643 68.5-159.6-128.1 73.1 6.1 -16.4 -30.7 303 318 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -167,-0.1 0.001 9.2-141.3 -67.6 162.8 8.8 -18.4 -28.9 304 319 A V - 0 0 88 -165,-0.1 2,-0.2 -166,-0.1 -168,-0.1 -0.751 20.6-111.0-119.8 154.7 9.0 -19.6 -25.3 305 320 A A - 0 0 10 -169,-0.6 3,-0.1 -2,-0.3 -231,-0.1 -0.601 24.5-110.5 -89.4 150.9 11.9 -19.7 -22.9 306 321 A D - 0 0 120 -2,-0.2 -1,-0.1 -233,-0.2 2,-0.0 -0.409 58.8 -82.5 -61.3 153.8 13.8 -22.7 -21.4 307 322 A P - 0 0 117 0, 0.0 2,-0.5 0, 0.0 -167,-0.1 -0.365 45.8-141.3 -68.6 145.4 13.0 -22.9 -17.7 308 323 A Y - 0 0 19 -168,-0.7 2,-1.1 -3,-0.1 -238,-0.0 -0.934 2.4-141.3-115.0 126.3 15.1 -20.6 -15.5 309 324 A D > + 0 0 74 -2,-0.5 3,-0.6 1,-0.2 4,-0.3 -0.697 26.1 169.2 -87.1 95.9 16.4 -21.7 -12.1 310 325 A Q T 3> + 0 0 75 -2,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.430 65.7 78.2 -87.8 3.0 16.1 -18.6 -9.8 311 326 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