==== 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 SIGNALING PROTEIN, TRANSFERASE 22-DEC-08 3FMK . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.GHATE . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 65.9 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 . 44 12.7 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 . 3 0.9 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 . 40 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 28.6 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 2 1 0 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 . 1 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 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 0 233 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.8 -3.7 1.5 38.6 2 5 A R - 0 0 86 1,-0.1 3,-0.1 89,-0.0 89,-0.0 -0.595 360.0-128.2 -73.5 127.3 -1.3 3.8 40.5 3 6 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.230 26.8 -96.2 -69.4 163.6 1.9 2.1 41.7 4 7 A T - 0 0 85 1,-0.0 15,-2.3 2,-0.0 2,-0.3 -0.709 41.5-151.6 -79.6 131.2 3.1 2.1 45.3 5 8 A F E -A 18 0A 24 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.799 8.0-161.6-103.7 146.5 5.8 4.9 45.8 6 9 A Y E -A 17 0A 61 11,-2.6 11,-2.0 -2,-0.3 2,-0.3 -0.954 14.4-127.4-126.4 152.7 8.6 4.9 48.3 7 10 A R E +A 16 0A 158 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.720 27.7 165.8-102.8 146.0 10.7 7.8 49.6 8 11 A Q E -A 15 0A 67 7,-1.8 7,-3.5 -2,-0.3 2,-0.5 -0.968 30.8-131.7-154.9 138.5 14.5 8.2 49.8 9 12 A E E +A 14 0A 126 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.845 42.4 145.2 -92.9 127.5 16.9 11.1 50.4 10 13 A L S S+ 0 0 38 3,-1.9 2,-0.2 -2,-0.5 -1,-0.2 0.678 70.8 24.0-125.1 -66.1 19.7 11.2 47.8 11 14 A N S S- 0 0 66 2,-0.5 3,-0.1 23,-0.0 -2,-0.0 -0.301 125.9 -76.8-101.8 47.9 20.9 14.7 46.7 12 15 A K S S+ 0 0 178 1,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.783 116.4 97.4 54.8 30.4 19.7 16.4 50.0 13 16 A T S S- 0 0 65 -5,-0.1 -3,-1.9 2,-0.0 2,-0.6 -0.986 83.0-108.9-142.3 147.0 16.2 16.1 48.4 14 17 A I E -A 9 0A 78 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.705 29.2-160.1 -84.2 116.7 13.5 13.5 48.9 15 18 A W E -A 8 0A 2 -7,-3.5 -7,-1.8 -2,-0.6 2,-0.6 -0.850 4.1-167.7 -94.8 125.8 13.0 11.3 45.8 16 19 A E E +A 7 0A 44 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.949 20.9 159.9-118.4 110.2 9.6 9.5 45.7 17 20 A V E -A 6 0A 4 -11,-2.0 -11,-2.6 -2,-0.6 -2,-0.0 -0.892 43.8 -88.1-131.4 154.5 9.6 6.8 43.1 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.294 42.4-112.5 -58.5 148.4 7.5 3.6 42.2 19 22 A E T 3 S+ 0 0 109 -15,-2.3 22,-0.1 1,-0.3 -14,-0.1 0.748 110.0 74.9 -53.4 -30.8 8.7 0.4 43.8 20 23 A R T 3 S+ 0 0 54 -16,-0.2 21,-3.0 20,-0.1 2,-0.7 0.811 83.5 76.3 -54.7 -31.1 9.8 -1.0 40.4 21 24 A Y E < +B 40 0B 1 -3,-1.9 2,-0.3 19,-0.2 19,-0.2 -0.756 68.6 173.6 -90.5 115.3 12.8 1.3 40.5 22 25 A Q E +B 39 0B 71 17,-2.7 17,-2.9 -2,-0.7 -2,-0.0 -0.763 45.6 27.2-121.7 162.6 15.5 -0.1 42.9 23 26 A N E S- 0 0 130 -2,-0.3 -1,-0.2 15,-0.2 2,-0.2 0.905 70.5-163.4 54.7 51.7 19.0 0.7 43.9 24 27 A L E + 0 0 14 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.449 13.2 174.9 -66.1 133.6 18.9 4.5 43.2 25 28 A S E -B 37 0B 64 12,-2.1 12,-3.4 -2,-0.2 -15,-0.0 -0.979 34.7-105.3-146.4 127.3 22.4 6.0 43.0 26 29 A P E +B 36 0B 66 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.248 32.3 174.9 -55.5 134.5 23.4 9.6 42.1 27 30 A V E - 0 0 89 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.708 47.3-109.1-104.6 -40.6 24.9 10.0 38.6 28 31 A G E -B 35 0B 38 7,-1.5 7,-2.9 0, 0.0 -1,-0.4 -0.981 57.6 -10.2 144.2-154.5 25.2 13.8 38.6 29 32 A S E +B 34 0B 123 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.502 50.7 179.8 -81.8 145.7 23.6 16.8 36.9 30 33 A G E > -B 33 0B 29 3,-3.0 3,-1.1 -2,-0.2 2,-0.6 -0.730 50.3 -59.1-125.2-177.7 21.2 16.6 34.0 31 34 A A T 3 S- 0 0 19 1,-0.3 3,-0.1 -2,-0.2 134,-0.1 -0.556 120.1 -17.0 -67.8 112.6 19.4 19.3 32.1 32 35 A Y T 3 S+ 0 0 82 -2,-0.6 21,-2.2 1,-0.1 2,-0.3 0.689 134.6 37.8 65.4 23.8 17.3 21.2 34.6 33 36 A G E < S-BC 30 52B 13 -3,-1.1 -3,-3.0 19,-0.3 2,-0.3 -0.983 85.4 -84.8-179.0 175.5 17.5 18.5 37.2 34 37 A S E -BC 29 51B 32 17,-1.4 17,-2.2 -2,-0.3 2,-0.4 -0.747 36.8-141.3-101.7 152.2 19.6 15.8 39.0 35 38 A V E -BC 28 50B 20 -7,-2.9 -8,-2.9 -2,-0.3 -7,-1.5 -0.909 13.4-171.3-121.1 137.2 20.0 12.2 37.7 36 39 A C E -BC 26 49B 0 13,-2.6 13,-3.1 -2,-0.4 2,-0.3 -0.963 21.0-130.6-122.2 143.1 20.1 8.9 39.4 37 40 A A E +BC 25 48B 18 -12,-3.4 -12,-2.1 -2,-0.4 2,-0.3 -0.646 37.7 166.9 -80.6 148.5 21.0 5.4 38.1 38 41 A A E - C 0 47B 8 9,-2.1 9,-2.8 -2,-0.3 2,-0.6 -0.975 37.7-115.5-154.6 164.6 18.5 2.7 39.0 39 42 A F E -BC 22 46B 84 -17,-2.9 -17,-2.7 -2,-0.3 2,-1.0 -0.950 23.5-146.2-105.8 120.2 17.4 -0.9 38.2 40 43 A D E >>> -BC 21 45B 2 5,-2.8 4,-2.6 -2,-0.6 5,-0.6 -0.766 9.8-167.8 -86.0 103.6 14.0 -1.2 36.7 41 44 A T T 345S+ 0 0 77 -21,-3.0 -1,-0.2 -2,-1.0 -20,-0.1 0.707 82.9 59.1 -65.2 -21.1 12.7 -4.5 38.0 42 45 A K T 345S+ 0 0 157 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.859 123.1 18.1 -76.0 -37.1 9.7 -4.4 35.6 43 46 A T T <45S- 0 0 71 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.572 95.8-124.8-110.5 -16.1 11.8 -4.3 32.4 44 47 A G T <5 + 0 0 45 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.608 65.4 138.3 75.7 13.6 15.2 -5.5 33.7 45 48 A L E < -C 40 0B 61 -5,-0.6 -5,-2.8 -6,-0.0 2,-0.5 -0.684 59.5-126.3 -92.4 142.3 16.8 -2.3 32.3 46 49 A R E -C 39 0B 179 -2,-0.3 59,-2.4 -7,-0.2 2,-0.3 -0.786 44.7-168.8 -78.9 125.6 19.4 -0.1 33.9 47 50 A V E -CD 38 104B 0 -9,-2.8 -9,-2.1 -2,-0.5 2,-0.5 -0.836 28.5-135.0-124.3 155.7 17.8 3.3 33.8 48 51 A A E -CD 37 103B 14 55,-2.9 55,-2.4 -2,-0.3 2,-0.5 -0.963 22.2-162.9-107.0 123.2 18.5 7.0 34.4 49 52 A V E -CD 36 102B 0 -13,-3.1 -13,-2.6 -2,-0.5 2,-0.6 -0.938 2.0-163.7-108.4 120.6 15.9 8.8 36.4 50 53 A K E -CD 35 101B 21 51,-3.1 51,-2.7 -2,-0.5 2,-0.7 -0.923 5.1-159.1-107.4 122.4 15.9 12.6 36.3 51 54 A K E -CD 34 100B 19 -17,-2.2 -17,-1.4 -2,-0.6 49,-0.2 -0.894 22.7-131.3 -95.6 117.5 14.0 14.6 38.9 52 55 A L E -C 33 0B 3 47,-2.3 2,-0.6 -2,-0.7 47,-0.3 -0.477 18.7-125.7 -68.7 135.8 13.3 18.1 37.6 53 56 A S S S- 0 0 66 -21,-2.2 -1,-0.1 1,-0.3 45,-0.0 -0.762 79.9 -24.1 -87.7 122.3 14.2 20.8 40.0 54 57 A R S > S- 0 0 131 -2,-0.6 3,-1.2 1,-0.1 -1,-0.3 0.919 75.2-175.6 42.9 64.9 11.3 23.2 40.7 55 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.686 77.0 33.5 -67.6 -18.1 9.6 22.4 37.4 56 59 A F T 3 S+ 0 0 9 41,-0.3 -2,-0.1 1,-0.1 277,-0.1 -0.031 76.8 116.5-127.8 32.0 6.8 25.0 37.9 57 60 A Q S < S+ 0 0 94 -3,-1.2 2,-0.3 1,-0.1 -1,-0.1 0.708 87.3 2.7 -75.0 -21.0 8.5 27.9 39.8 58 61 A S S > S- 0 0 35 -4,-0.2 4,-2.9 -3,-0.1 5,-0.2 -0.935 79.5 -98.3-151.0 172.6 7.9 30.3 36.9 59 62 A I H > S+ 0 0 86 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.917 124.9 52.1 -58.7 -45.3 6.4 30.6 33.5 60 63 A I H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 114.0 42.3 -57.1 -48.8 9.8 30.0 32.0 61 64 A H H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 114.0 51.1 -65.9 -43.7 10.3 26.8 34.1 62 65 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.912 114.0 43.4 -62.2 -44.0 6.7 25.6 33.5 63 66 A K H X S+ 0 0 33 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.872 112.8 53.9 -67.4 -38.4 7.0 26.0 29.7 64 67 A R H X S+ 0 0 40 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.869 108.7 49.1 -61.0 -41.7 10.5 24.4 29.8 65 68 A T H X S+ 0 0 5 -4,-2.3 4,-2.2 -10,-0.4 -2,-0.2 0.924 112.8 46.5 -65.6 -46.9 9.1 21.4 31.7 66 69 A Y H X S+ 0 0 10 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.927 111.9 53.1 -60.5 -46.1 6.3 21.0 29.2 67 70 A R H X S+ 0 0 46 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.932 110.2 45.5 -53.5 -53.8 8.8 21.4 26.3 68 71 A E H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.910 113.9 49.0 -61.8 -43.1 11.2 18.7 27.6 69 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.920 111.7 49.0 -62.7 -43.7 8.3 16.3 28.3 70 73 A R H X S+ 0 0 36 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.930 113.5 47.3 -60.1 -46.0 6.8 16.8 24.8 71 74 A L H X S+ 0 0 5 -4,-2.5 4,-1.7 -5,-0.2 3,-0.3 0.939 114.0 45.6 -61.1 -49.4 10.2 16.3 23.2 72 75 A L H < S+ 0 0 18 -4,-2.8 11,-0.9 1,-0.2 -1,-0.2 0.870 110.7 53.4 -65.5 -37.9 11.1 13.1 25.1 73 76 A K H < S+ 0 0 42 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.820 111.1 48.1 -64.5 -31.3 7.6 11.7 24.5 74 77 A H H < S+ 0 0 38 -4,-1.5 2,-0.6 -3,-0.3 242,-0.2 0.853 89.3 91.0 -77.7 -36.7 8.0 12.2 20.8 75 78 A M < + 0 0 3 -4,-1.7 8,-0.5 6,-0.1 2,-0.4 -0.499 39.5 159.5 -77.2 110.9 11.4 10.7 20.2 76 79 A K + 0 0 162 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.752 30.8 115.2-130.0 83.9 11.4 7.0 19.4 77 80 A H B > -F 80 0C 20 3,-0.5 3,-1.7 -2,-0.4 57,-0.0 -0.989 67.9-121.9-153.9 142.0 14.7 6.2 17.7 78 81 A E T 3 S+ 0 0 123 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.772 113.0 44.5 -55.5 -33.0 17.6 3.9 18.6 79 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.2 51,-0.1 2,-0.4 0.145 104.4 74.0-103.8 18.0 20.1 6.8 18.4 80 83 A V B < S-Fg 77 163C 3 -3,-1.7 -3,-0.5 82,-0.3 2,-0.2 -0.999 87.2-110.5-134.1 132.1 18.0 9.4 20.3 81 84 A I + 0 0 8 82,-2.6 2,-0.2 -2,-0.4 -6,-0.1 -0.450 48.3 179.2 -59.8 122.6 17.3 9.5 24.1 82 85 A G - 0 0 14 -2,-0.2 2,-0.7 -4,-0.1 22,-0.2 -0.586 32.0 -87.6-120.2-176.5 13.7 8.6 24.5 83 86 A L + 0 0 16 -11,-0.9 20,-0.2 -8,-0.5 3,-0.1 -0.849 32.4 171.7-105.0 111.6 11.2 8.2 27.4 84 87 A L S S- 0 0 26 18,-2.7 2,-0.3 -2,-0.7 19,-0.2 0.808 76.6 -13.7 -77.7 -34.1 10.9 4.8 29.0 85 88 A D E -E 102 0B 23 17,-1.4 17,-2.9 260,-0.1 -1,-0.3 -0.980 52.5-162.1-162.7 155.0 8.7 6.2 31.8 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.969 24.6 166.4-142.6 134.8 7.4 9.4 33.3 87 90 A F E -E 100 0B 14 13,-2.0 13,-2.2 -2,-0.3 254,-0.0 -0.978 23.8-163.6-148.0 160.4 5.8 9.7 36.7 88 91 A T - 0 0 11 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.986 24.8-138.3-138.7 140.9 4.7 11.9 39.6 89 92 A P S S+ 0 0 20 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.636 74.5 113.4 -68.4 -14.2 3.8 10.9 43.2 90 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.315 55.3-161.1 -61.9 137.8 0.9 13.3 42.8 91 94 A R S S+ 0 0 169 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.571 74.7 14.6 -94.2 -13.2 -2.6 11.8 42.9 92 95 A S S >> S- 0 0 28 1,-0.1 4,-0.8 0, 0.0 3,-0.6 -0.957 83.1 -99.0-153.6 166.5 -4.2 14.9 41.2 93 96 A L T 34 S+ 0 0 53 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.842 120.9 56.7 -58.0 -37.1 -3.4 18.1 39.4 94 97 A E T 34 S+ 0 0 162 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.801 111.6 42.0 -67.1 -29.2 -3.8 20.1 42.6 95 98 A E T <4 S+ 0 0 111 -3,-0.6 2,-0.5 2,-0.0 -1,-0.2 0.524 88.5 119.2 -89.0 -10.5 -1.1 17.9 44.3 96 99 A F < + 0 0 0 -4,-0.8 3,-0.1 -3,-0.5 241,-0.1 -0.438 19.4 124.6 -69.7 111.7 1.1 18.0 41.1 97 100 A N + 0 0 68 -2,-0.5 2,-0.4 1,-0.2 -41,-0.3 0.442 57.0 61.5-142.0 -10.1 4.5 19.6 41.8 98 101 A D - 0 0 45 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.959 52.6-166.1-128.9 144.9 7.2 17.0 40.8 99 102 A V - 0 0 0 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -0.996 2.8-168.6-131.0 127.2 8.1 15.4 37.5 100 103 A Y E -DE 51 87B 1 -13,-2.2 -13,-2.0 -2,-0.4 2,-0.4 -0.970 6.2-161.0-117.1 131.4 10.4 12.4 37.1 101 104 A L E -DE 50 86B 9 -51,-2.7 -51,-3.1 -2,-0.4 2,-0.4 -0.928 4.3-158.8-116.3 134.4 11.7 11.3 33.7 102 105 A V E +DE 49 85B 1 -17,-2.9 -18,-2.7 -2,-0.4 -17,-1.4 -0.945 21.6 148.3-120.2 129.5 13.1 7.8 32.9 103 106 A T E -D 48 0B 20 -55,-2.4 -55,-2.9 -2,-0.4 -20,-0.1 -0.821 52.7 -59.0-140.0-179.6 15.4 6.7 30.1 104 107 A H E -D 47 0B 61 -57,-0.2 2,-0.6 -2,-0.2 -57,-0.3 -0.411 49.7-121.3 -62.0 137.3 18.2 4.2 29.4 105 108 A L - 0 0 49 -59,-2.4 2,-0.2 -67,-0.1 -59,-0.2 -0.745 33.3-155.6 -78.3 120.2 21.3 4.4 31.6 106 109 A M - 0 0 31 -2,-0.6 50,-0.2 1,-0.1 3,-0.1 -0.652 17.2-126.0-100.2 157.7 24.2 5.0 29.3 107 110 A G S S- 0 0 51 48,-0.3 2,-0.3 -2,-0.2 49,-0.2 0.926 75.2 -31.6 -69.3 -50.0 27.9 4.1 30.0 108 111 A A E -H 155 0C 35 47,-2.0 47,-3.2 45,-0.0 -1,-0.2 -0.973 61.2 -97.7-161.8 162.1 29.6 7.4 29.4 109 112 A D E > -H 154 0C 41 -2,-0.3 4,-1.1 45,-0.2 3,-0.3 -0.564 41.6-110.6 -83.1 160.4 29.4 10.6 27.4 110 113 A L H > S+ 0 0 2 43,-2.3 4,-2.6 40,-1.3 3,-0.3 0.856 114.7 60.4 -60.7 -38.0 31.6 10.8 24.3 111 114 A N H > S+ 0 0 55 39,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.910 103.5 49.2 -55.4 -48.2 33.9 13.4 25.8 112 115 A N H 4 S+ 0 0 89 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 116.4 43.5 -65.4 -28.2 34.9 11.2 28.7 113 116 A I H < S+ 0 0 74 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.910 123.7 28.9 -81.3 -46.2 35.8 8.3 26.3 114 117 A V H >< S+ 0 0 8 -4,-2.6 3,-2.7 2,-0.1 -2,-0.2 0.507 76.7 138.3-100.8 -7.9 37.6 10.1 23.5 115 118 A K T 3< S- 0 0 104 -4,-1.7 3,-0.1 1,-0.3 100,-0.1 -0.127 85.4 -5.0 -53.4 129.6 39.3 13.1 25.1 116 119 A C T 3 S+ 0 0 94 98,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.475 111.7 117.8 67.8 6.1 42.9 13.7 23.8 117 120 A Q < - 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0 0 36 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.382 29.5-145.2 -55.1 133.4 39.4 20.3 19.4 217 222 A L S S+ 0 0 34 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.950 90.5 15.8 -70.6 -50.0 38.9 21.7 15.9 218 223 A F S S+ 0 0 4 -36,-0.3 2,-2.5 2,-0.1 -1,-0.2 -0.585 70.3 174.3-125.6 69.5 38.2 25.3 16.9 219 224 A P - 0 0 39 0, 0.0 -40,-0.1 0, 0.0 2,-0.0 -0.371 20.1-175.0 -77.8 67.0 39.4 25.7 20.5 220 225 A G - 0 0 0 -2,-2.5 -42,-0.4 1,-0.1 -39,-0.1 -0.332 30.3-146.6 -67.6 142.0 38.7 29.5 20.7 221 226 A T S S- 0 0 72 1,-0.2 2,-0.3 -44,-0.2 -44,-0.2 0.591 85.3 -10.6 -80.6 -14.3 39.8 31.4 23.7 222 227 A D S > S- 0 0 67 -47,-0.1 4,-2.9 -46,-0.1 5,-0.2 -0.939 88.9 -79.3-168.1 175.6 36.7 33.7 23.1 223 228 A H H > S+ 0 0 59 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.884 127.9 44.0 -53.2 -46.5 34.0 34.3 20.5 224 229 A I H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 113.2 49.6 -69.7 -46.6 36.3 36.5 18.3 225 230 A D H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.920 112.4 49.9 -56.0 -44.2 39.3 34.1 18.6 226 231 A Q H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.904 107.7 52.3 -63.1 -43.0 37.1 31.2 17.7 227 232 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.919 108.8 51.5 -58.3 -43.5 35.7 33.1 14.6 228 233 A K H X S+ 0 0 107 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.898 109.1 49.9 -60.6 -41.9 39.2 33.7 13.5 229 234 A L H X S+ 0 0 60 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.910 113.4 47.2 -61.5 -43.7 40.1 30.0 13.8 230 235 A I H >X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.5 0.953 112.4 47.6 -61.9 -51.3 37.0 29.1 11.8 231 236 A L H 3X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.3 -1,-0.2 0.804 105.1 60.0 -66.9 -29.9 37.6 31.7 9.0 232 237 A R H 3< S+ 0 0 161 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.895 114.6 36.6 -61.2 -39.4 41.3 30.6 8.7 233 238 A L H << S+ 0 0 10 -4,-1.3 30,-2.8 -3,-0.5 -2,-0.2 0.943 130.3 26.9 -77.6 -50.9 40.1 27.1 7.8 234 239 A V H < S- 0 0 19 -4,-2.7 28,-0.3 28,-0.2 52,-0.2 0.522 109.4-114.8 -97.0 -6.6 36.9 27.7 5.7 235 240 A G < - 0 0 4 -4,-1.8 -1,-0.2 26,-0.4 -3,-0.1 0.073 38.1 -63.9 89.6 156.1 37.8 31.2 4.4 236 241 A T - 0 0 25 24,-2.0 26,-0.1 1,-0.1 50,-0.1 -0.414 68.3 -88.6 -70.5 151.7 36.2 34.6 4.9 237 242 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.317 39.1-132.4 -66.1 146.5 32.6 34.9 3.7 238 243 A G > - 0 0 46 -3,-0.1 4,-2.4 1,-0.1 3,-0.5 -0.354 35.1 -90.5 -86.6 174.2 31.8 36.0 0.1 239 244 A A H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.824 123.9 60.7 -54.2 -36.2 29.4 38.7 -1.0 240 245 A E H > S+ 0 0 100 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.912 110.7 37.0 -59.8 -49.5 26.6 36.0 -1.3 241 246 A L H >> S+ 0 0 9 -3,-0.5 3,-1.1 1,-0.2 4,-0.8 0.867 109.2 63.9 -72.5 -37.8 26.8 35.0 2.4 242 247 A L H >< S+ 0 0 35 -4,-2.4 3,-0.9 1,-0.3 -2,-0.2 0.872 99.4 54.5 -52.8 -40.8 27.4 38.6 3.6 243 248 A K H 3< S+ 0 0 160 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.775 103.5 56.6 -63.3 -29.1 23.9 39.5 2.2 244 249 A K H << S+ 0 0 61 -3,-1.1 2,-1.3 -4,-0.5 -1,-0.2 0.622 79.5 96.4 -81.6 -16.0 22.4 36.7 4.3 245 250 A I << - 0 0 0 -3,-0.9 -52,-0.2 -4,-0.8 6,-0.1 -0.670 55.8-175.2 -75.3 98.1 23.8 38.1 7.6 246 251 A S + 0 0 81 -2,-1.3 2,-0.8 -54,-0.7 -53,-0.2 0.696 58.2 92.2 -73.7 -22.2 20.7 40.0 8.6 247 252 A S > - 0 0 31 -55,-1.9 4,-2.7 1,-0.2 5,-0.2 -0.685 65.4-159.0 -73.9 111.0 22.4 41.5 11.6 248 253 A E H > S+ 0 0 148 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.892 90.4 49.2 -58.2 -44.3 23.8 44.8 10.3 249 254 A S H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 113.2 45.4 -64.2 -45.2 26.4 45.1 13.1 250 255 A A H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 113.6 50.3 -65.2 -43.3 27.6 41.5 12.6 251 256 A R H X S+ 0 0 73 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.930 110.2 50.5 -58.8 -47.7 27.7 41.9 8.8 252 257 A N H X S+ 0 0 112 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.859 110.5 49.2 -59.8 -39.9 29.7 45.2 9.3 253 258 A Y H >< S+ 0 0 74 -4,-1.9 3,-1.6 1,-0.2 4,-0.4 0.934 106.9 54.1 -66.1 -47.8 32.3 43.5 11.6 254 259 A I H >< S+ 0 0 7 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.880 103.9 57.5 -52.5 -41.8 32.8 40.5 9.2 255 260 A Q H 3< S+ 0 0 123 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.683 96.4 64.0 -63.2 -22.2 33.7 43.0 6.4 256 261 A S T << S+ 0 0 81 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.607 83.6 96.9 -78.9 -13.7 36.5 44.5 8.5 257 262 A L S < S- 0 0 34 -3,-1.4 2,-0.1 -4,-0.4 3,-0.1 -0.585 85.9-107.0 -83.4 138.3 38.4 41.2 8.5 258 263 A T - 0 0 124 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.400 46.0-104.7 -60.2 133.5 41.3 40.7 6.1 259 264 A Q - 0 0 166 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.321 40.0-174.4 -67.8 144.3 40.1 38.2 3.4 260 265 A M - 0 0 67 -29,-0.1 -24,-2.0 -3,-0.1 2,-0.1 -0.996 20.1-125.4-138.3 139.3 41.4 34.6 3.6 261 266 A P - 0 0 111 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.473 39.4 -90.3 -80.6 159.3 41.0 31.7 1.2 262 267 A K - 0 0 100 -28,-0.3 -28,-0.2 -2,-0.1 -29,-0.1 -0.429 48.1-121.6 -62.8 138.5 39.6 28.3 2.2 263 268 A M - 0 0 60 -30,-2.8 2,-0.8 -31,-0.2 -1,-0.1 -0.385 25.1 -97.9 -80.1 161.9 42.4 26.0 3.3 264 269 A N >> - 0 0 89 1,-0.2 3,-1.2 -2,-0.1 4,-0.7 -0.750 30.0-156.9 -80.2 111.5 43.2 22.6 1.7 265 270 A F H 3> S+ 0 0 2 -2,-0.8 4,-3.0 1,-0.3 3,-0.4 0.789 91.0 61.9 -64.2 -30.5 41.5 20.1 4.1 266 271 A A H 34 S+ 0 0 52 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.785 106.0 47.5 -62.9 -28.5 43.8 17.3 3.0 267 272 A N H <4 S+ 0 0 115 -3,-1.2 3,-0.3 1,-0.1 -1,-0.2 0.616 114.3 47.0 -85.3 -15.7 46.7 19.4 4.3 268 273 A V H < S+ 0 0 50 -4,-0.7 2,-0.7 -3,-0.4 -2,-0.2 0.859 116.8 40.7 -90.0 -44.5 44.8 20.0 7.6 269 274 A F S >< S- 0 0 10 -4,-3.0 3,-1.9 -5,-0.1 -1,-0.2 -0.534 87.5-166.5-104.4 63.4 43.7 16.4 8.3 270 275 A I T 3 + 0 0 138 -2,-0.7 -3,-0.1 -3,-0.3 -4,-0.1 -0.254 69.2 8.6 -56.8 128.0 47.0 14.8 7.2 271 276 A G T 3 S+ 0 0 83 -5,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.245 93.9 137.6 89.0 -12.0 46.6 11.0 6.8 272 277 A A < - 0 0 27 -3,-1.9 -1,-0.3 -6,-0.2 5,-0.1 -0.297 69.4 -84.1 -68.4 149.3 42.8 10.9 7.1 273 278 A N >> - 0 0 44 1,-0.2 4,-2.0 2,-0.1 3,-0.7 -0.316 37.1-132.3 -45.3 122.7 40.6 8.8 4.9 274 279 A P H 3> S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.805 108.7 56.7 -54.4 -30.5 40.0 11.0 1.7 275 280 A L H 3> S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.854 105.8 49.5 -68.0 -36.1 36.3 10.2 2.1 276 281 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.892 110.1 51.3 -66.8 -41.4 36.3 11.6 5.6 277 282 A V H X S+ 0 0 13 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.925 109.8 49.7 -60.2 -46.9 38.1 14.7 4.3 278 283 A D H X S+ 0 0 54 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.908 111.3 48.4 -59.6 -45.4 35.5 15.2 1.6 279 284 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.5 0.921 109.2 52.6 -63.1 -44.6 32.6 14.8 4.1 280 285 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.2 0.889 106.6 54.0 -56.8 -40.9 34.2 17.3 6.5 281 286 A E H < S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.4 47.1 -61.2 -32.4 34.5 19.8 3.5 282 287 A K H < S+ 0 0 90 -4,-1.3 10,-2.2 -3,-0.5 3,-0.3 0.696 116.7 42.8 -84.7 -21.9 30.7 19.4 2.9 283 288 A M H < S+ 0 0 0 -4,-1.6 2,-1.3 -3,-0.2 -2,-0.2 0.843 106.5 60.2 -87.2 -42.0 29.8 19.8 6.6 284 289 A L S < S+ 0 0 4 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.375 70.2 138.1 -93.1 57.0 32.1 22.7 7.5 285 290 A V - 0 0 41 -2,-1.3 6,-0.1 -3,-0.3 5,-0.1 -0.878 50.6-142.8-100.4 131.3 30.7 25.2 5.0 286 291 A L S S+ 0 0 15 -2,-0.5 2,-0.8 -52,-0.2 -99,-0.2 0.921 88.5 71.2 -60.6 -46.6 30.2 28.8 6.3 287 292 A D S > S- 0 0 10 1,-0.2 3,-1.8 -3,-0.1 4,-0.4 -0.636 73.5-156.9 -75.3 110.5 27.0 29.4 4.4 288 293 A S G > S+ 0 0 5 -2,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.758 88.4 67.3 -62.6 -27.8 24.4 27.2 6.2 289 294 A D G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.734 105.4 44.2 -59.1 -24.3 22.2 27.0 3.0 290 295 A K G < S+ 0 0 116 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.430 85.9 113.7-108.3 -3.5 25.0 25.0 1.4 291 296 A R S < S- 0 0 7 -3,-0.8 -8,-0.2 -4,-0.4 -9,-0.1 -0.361 75.9-100.7 -66.5 148.2 25.9 22.6 4.1 292 297 A I - 0 0 17 -10,-2.2 2,-0.2 -13,-0.2 -1,-0.1 -0.397 38.6-128.4 -63.5 144.4 25.2 18.9 3.6 293 298 A T > - 0 0 50 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.502 21.3-108.3 -89.4 167.9 22.0 17.6 5.4 294 299 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -158,-0.2 0.944 121.2 49.9 -59.2 -47.5 21.8 14.6 7.7 295 300 A A H > S+ 0 0 50 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.896 113.7 45.1 -57.7 -44.7 19.9 12.6 5.0 296 301 A Q H >4 S+ 0 0 110 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.881 110.4 54.5 -66.3 -39.8 22.5 13.5 2.3 297 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 6,-0.3 0.841 100.0 59.8 -65.9 -35.5 25.4 12.8 4.6 298 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.804 104.5 51.7 -61.9 -29.0 24.1 9.2 5.4 299 304 A A T << S+ 0 0 65 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.449 84.4 117.0 -86.7 -4.2 24.4 8.5 1.6 300 305 A H S X S- 0 0 24 -3,-1.4 3,-2.3 -4,-0.2 7,-0.1 -0.415 78.9-116.7 -66.8 142.0 28.0 9.7 1.4 301 306 A A G > S+ 0 0 56 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.695 108.0 76.2 -54.5 -23.1 30.5 7.1 0.4 302 307 A Y G 3 S+ 0 0 3 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.815 97.9 45.4 -57.0 -31.4 32.3 7.4 3.8 303 308 A F G X> S+ 0 0 0 -3,-2.3 4,-3.1 -6,-0.3 3,-1.8 0.088 73.7 126.1-102.6 23.5 29.4 5.4 5.4 304 309 A A T <4 S+ 0 0 79 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.811 73.4 49.8 -51.2 -39.7 29.3 2.7 2.7 305 310 A Q T 34 S+ 0 0 119 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.637 123.1 30.7 -78.5 -12.7 29.6 -0.2 5.3 306 311 A Y T <4 S+ 0 0 60 -3,-1.8 -2,-0.2 -8,-0.1 -1,-0.2 0.684 89.2 109.8-114.2 -27.8 26.8 1.2 7.5 307 312 A H < + 0 0 62 -4,-3.1 -8,-0.1 -7,-0.1 5,-0.1 -0.279 30.3 163.2 -62.5 131.3 24.3 3.0 5.3 308 313 A D > - 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