==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-OCT-07 2RG5 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 333 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 62.5 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 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 1 0 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 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 0 242 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.4 -25.8 -5.7 5.2 2 5 A R - 0 0 118 1,-0.1 2,-0.2 86,-0.0 86,-0.0 0.250 360.0-134.9 -50.2-179.2 -25.2 -3.4 8.2 3 6 A P - 0 0 66 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.678 23.3 -92.2-130.0-176.1 -24.8 -4.8 11.8 4 7 A T - 0 0 85 -2,-0.2 15,-1.0 0, 0.0 2,-0.2 -0.910 39.3-162.0-113.5 111.9 -26.1 -3.9 15.2 5 8 A F E -A 18 0A 33 -2,-0.6 2,-0.3 13,-0.2 11,-0.0 -0.466 2.0-158.4 -85.9 158.9 -23.9 -1.5 17.3 6 9 A Y E -A 17 0A 63 11,-2.6 11,-0.9 -2,-0.2 2,-0.4 -0.821 16.9-119.5-129.9 167.3 -24.0 -0.9 21.0 7 10 A R E -A 16 0A 123 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.929 20.6-176.9-116.8 138.3 -22.8 2.0 23.1 8 11 A Q E -A 15 0A 34 7,-2.9 7,-2.6 -2,-0.4 5,-0.1 -0.882 9.8-170.9-135.7 101.1 -20.2 2.1 25.8 9 12 A E + 0 0 124 -2,-0.4 3,-0.4 5,-0.3 2,-0.2 0.335 48.6 128.9 -74.2 10.1 -19.6 5.4 27.6 10 13 A L + 0 0 100 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 -0.470 53.9 34.9 -75.3 139.1 -16.6 3.8 29.4 11 14 A N S S- 0 0 86 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.546 123.3 -75.7 122.0 -55.8 -13.1 5.4 29.4 12 15 A K S S+ 0 0 103 1,-0.4 2,-0.3 -3,-0.4 -1,-0.1 0.003 122.4 80.6 139.1 3.0 -14.3 9.1 29.5 13 16 A T S S- 0 0 46 -3,-0.1 -1,-0.4 -5,-0.1 2,-0.4 -0.985 85.8-113.1-136.4 144.3 -15.1 8.5 25.9 14 17 A I - 0 0 57 -2,-0.3 2,-0.5 -3,-0.1 -5,-0.3 -0.619 24.4-161.9 -79.9 130.7 -18.0 6.8 24.1 15 18 A W E -A 8 0A 0 -7,-2.6 -7,-2.9 -2,-0.4 2,-0.5 -0.953 6.1-173.7-114.0 128.9 -17.4 3.6 22.2 16 19 A E E +A 7 0A 62 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.879 23.0 159.8-124.0 94.6 -19.9 2.5 19.6 17 20 A V E -A 6 0A 2 -11,-0.9 -11,-2.6 -2,-0.5 -2,-0.0 -0.841 39.5 -91.6-122.1 159.5 -19.0 -0.9 18.3 18 21 A P E > -A 5 0A 7 0, 0.0 3,-1.1 0, 0.0 -13,-0.2 -0.065 41.6-104.4 -59.0 158.8 -20.7 -3.9 16.5 19 22 A E T 3 S+ 0 0 112 -15,-1.0 -14,-0.1 1,-0.2 -2,-0.0 0.880 113.4 63.6 -53.5 -51.5 -22.3 -6.9 18.3 20 23 A R T 3 S+ 0 0 73 1,-0.1 18,-2.1 17,-0.1 2,-0.9 0.767 88.2 82.2 -48.9 -29.5 -19.5 -9.4 17.7 21 24 A Y E < +B 37 0B 2 -3,-1.1 2,-0.3 16,-0.2 3,-0.2 -0.727 65.0 165.0 -88.0 105.9 -17.2 -7.2 19.8 22 25 A Q E +B 36 0B 70 14,-2.1 14,-3.3 -2,-0.9 -2,-0.0 -0.796 45.3 28.3-120.9 162.2 -17.8 -8.0 23.5 23 26 A N E S- 0 0 100 -2,-0.3 -1,-0.2 12,-0.2 11,-0.1 0.829 71.4-160.7 58.7 39.7 -16.1 -7.4 26.8 24 27 A L E - 0 0 13 -3,-0.2 11,-0.2 11,-0.1 -1,-0.2 -0.251 11.3-176.9 -52.2 124.9 -14.3 -4.2 25.7 25 28 A S E -B 34 0B 51 9,-2.9 9,-3.3 0, 0.0 -1,-0.1 -0.949 23.8-125.6-132.6 110.1 -11.4 -3.6 28.2 26 29 A P E B 33 0B 83 0, 0.0 7,-0.3 0, 0.0 -15,-0.0 -0.157 360.0 360.0 -54.3 144.1 -9.3 -0.4 27.8 27 30 A V 0 0 131 5,-2.6 6,-0.2 0, 0.0 18,-0.0 0.307 360.0 360.0-144.4 360.0 -5.6 -0.9 27.4 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 35 A Y 0 0 125 0, 0.0 21,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -6.0 -3.8 9.6 18.5 30 36 A G E - C 0 49B 31 19,-0.2 2,-0.4 2,-0.0 19,-0.2 -0.904 360.0-125.4 179.7 151.1 -6.2 6.8 19.6 31 37 A S E - C 0 48B 48 17,-1.9 17,-2.8 -2,-0.3 2,-0.4 -0.846 31.0-155.0-102.8 141.2 -7.6 4.8 22.5 32 38 A V E - C 0 47B 52 -2,-0.4 -5,-2.6 15,-0.2 2,-0.4 -0.951 8.3-166.3-122.7 145.1 -7.3 1.0 22.3 33 39 A C E -BC 26 46B 5 13,-3.8 13,-3.6 -2,-0.4 2,-0.3 -0.958 18.9-133.8-127.6 145.9 -9.4 -1.7 23.9 34 40 A A E +BC 25 45B 8 -9,-3.3 -9,-2.9 -2,-0.4 2,-0.3 -0.695 39.9 171.4 -89.0 145.5 -8.8 -5.4 24.2 35 41 A A E - C 0 44B 0 9,-2.0 9,-3.1 -2,-0.3 2,-0.6 -0.986 36.0-113.7-153.6 164.7 -12.0 -7.3 23.3 36 42 A F E -BC 22 43B 73 -14,-3.3 -14,-2.1 -2,-0.3 2,-0.3 -0.908 24.7-144.6-110.0 113.0 -13.4 -10.7 22.6 37 43 A D E > -B 21 0B 4 5,-2.5 4,-0.9 -2,-0.6 -16,-0.2 -0.581 8.3-164.8 -72.5 127.0 -14.6 -11.4 19.1 38 44 A T T 4 S+ 0 0 75 -18,-2.1 3,-0.3 -2,-0.3 -1,-0.2 0.917 85.0 60.4 -79.6 -45.8 -17.7 -13.6 19.3 39 45 A K T 4 S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.724 126.0 17.4 -52.4 -25.3 -17.7 -14.6 15.6 40 46 A T T 4 S- 0 0 76 2,-0.2 -1,-0.2 -20,-0.2 -2,-0.2 0.419 91.8-126.0-128.5 -2.9 -14.2 -16.1 16.1 41 47 A G < + 0 0 42 -4,-0.9 2,-0.5 -3,-0.3 -3,-0.2 0.662 69.7 138.2 61.5 12.1 -13.8 -16.6 19.8 42 48 A L - 0 0 74 -5,-0.2 -5,-2.5 -6,-0.0 -1,-0.2 -0.794 56.1-129.5 -98.5 130.6 -10.6 -14.6 19.1 43 49 A R E -C 36 0B 101 -2,-0.5 59,-1.5 -7,-0.2 2,-0.3 -0.516 37.0-178.5 -71.1 135.8 -9.4 -11.8 21.4 44 50 A V E -CD 35 101B 0 -9,-3.1 -9,-2.0 57,-0.2 2,-0.5 -0.812 31.2-115.6-133.1 174.8 -8.6 -8.6 19.5 45 51 A A E -CD 34 100B 18 55,-2.8 55,-3.0 -2,-0.3 2,-0.5 -0.949 28.7-164.8-111.9 126.5 -7.3 -5.0 19.8 46 52 A V E -CD 33 99B 0 -13,-3.6 -13,-3.8 -2,-0.5 2,-0.5 -0.977 3.1-163.4-117.3 127.7 -9.9 -2.3 18.9 47 53 A K E -CD 32 98B 21 51,-2.9 51,-2.0 -2,-0.5 2,-0.6 -0.947 9.5-159.4-116.3 127.2 -8.8 1.2 18.3 48 54 A K E -CD 31 97B 24 -17,-2.8 -17,-1.9 -2,-0.5 2,-0.3 -0.903 22.7-134.9 -99.6 119.2 -10.9 4.2 18.3 49 55 A L E -C 30 0B 8 47,-2.4 2,-0.6 -2,-0.6 47,-0.4 -0.573 21.8-122.3 -73.8 135.3 -9.2 7.1 16.4 50 56 A S S S- 0 0 46 -21,-1.4 4,-0.2 -2,-0.3 -1,-0.1 -0.717 77.8 -28.1 -84.9 121.1 -9.4 10.4 18.3 51 57 A R S > S- 0 0 158 -2,-0.6 3,-1.8 1,-0.1 -1,-0.2 0.906 76.8-176.5 42.9 50.6 -11.1 13.3 16.4 52 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.3 0, 0.0 3,-0.2 0.822 76.3 26.7 -47.6 -38.2 -10.1 11.6 13.1 53 59 A F T 3 S+ 0 0 8 41,-0.4 -2,-0.1 1,-0.1 269,-0.1 0.005 90.9 96.7-120.6 30.9 -11.5 14.5 11.0 54 60 A Q S < S+ 0 0 108 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.1 0.183 90.7 28.3-106.8 26.3 -11.4 17.5 13.2 55 61 A S S > S- 0 0 44 -3,-0.2 4,-2.2 -4,-0.1 5,-0.1 -0.917 80.8-116.5-172.4 149.4 -8.1 18.9 11.9 56 62 A I H > S+ 0 0 89 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.845 114.2 52.6 -65.5 -33.1 -6.3 18.7 8.6 57 63 A I H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 111.9 44.9 -68.8 -43.1 -3.4 16.8 10.1 58 64 A H H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.877 110.5 55.9 -65.0 -43.1 -5.6 14.2 11.7 59 65 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.904 112.3 40.8 -57.0 -46.7 -7.7 13.8 8.5 60 66 A K H X S+ 0 0 36 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.902 114.8 51.9 -70.4 -40.3 -4.6 13.0 6.4 61 67 A R H X S+ 0 0 73 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.857 108.3 52.6 -64.4 -35.8 -3.1 10.8 9.1 62 68 A T H X S+ 0 0 10 -4,-2.7 4,-1.5 -10,-0.3 -1,-0.2 0.931 111.9 44.3 -64.2 -47.0 -6.4 8.9 9.3 63 69 A Y H X S+ 0 0 16 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.891 114.4 51.7 -64.2 -38.4 -6.3 8.3 5.6 64 70 A R H X S+ 0 0 22 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.927 108.3 48.8 -65.0 -48.4 -2.6 7.4 5.8 65 71 A E H X S+ 0 0 15 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.828 112.6 48.4 -61.6 -35.2 -3.0 4.8 8.6 66 72 A L H X S+ 0 0 3 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.861 109.5 50.6 -74.2 -42.0 -5.9 3.0 6.8 67 73 A R H X S+ 0 0 47 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.953 112.1 48.7 -59.2 -52.6 -4.2 2.8 3.4 68 74 A L H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.872 111.7 48.9 -56.2 -41.6 -1.1 1.3 5.0 69 75 A L H < S+ 0 0 18 -4,-1.5 11,-0.7 2,-0.2 -1,-0.2 0.819 111.4 49.2 -71.7 -30.6 -3.1 -1.2 7.0 70 76 A K H < S+ 0 0 47 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.879 116.2 42.8 -76.3 -34.2 -5.1 -2.4 4.0 71 77 A H H < S+ 0 0 37 -4,-2.2 2,-0.7 -5,-0.2 234,-0.2 0.826 93.7 88.5 -80.7 -34.2 -2.0 -2.8 1.9 72 78 A M < + 0 0 4 -4,-2.2 2,-0.5 -5,-0.2 8,-0.3 -0.574 43.1 164.3 -79.9 110.9 0.4 -4.5 4.4 73 79 A K + 0 0 142 -2,-0.7 2,-0.3 6,-0.1 5,-0.1 -0.858 24.1 123.3-125.9 94.7 0.2 -8.3 4.5 74 80 A H B > -F 77 0C 20 3,-0.6 3,-1.8 -2,-0.5 57,-0.0 -0.992 63.7-122.4-153.3 142.5 3.1 -9.9 6.3 75 81 A E T 3 S+ 0 0 115 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.768 114.8 43.6 -59.1 -26.7 3.5 -12.3 9.2 76 82 A N T 3 S+ 0 0 5 83,-0.1 84,-1.9 2,-0.1 2,-0.4 0.247 103.0 76.4-103.5 13.0 5.7 -9.8 11.1 77 83 A V B < S-Fg 74 160C 2 -3,-1.8 -3,-0.6 82,-0.3 84,-0.1 -0.989 92.6-103.8-125.1 126.1 3.6 -6.7 10.3 78 84 A I - 0 0 10 82,-2.4 2,-0.3 -2,-0.4 -6,-0.1 -0.148 41.2-151.1 -49.2 135.6 0.3 -6.0 12.1 79 85 A G - 0 0 27 -4,-0.1 2,-0.5 -6,-0.1 22,-0.5 -0.789 13.1-112.9-111.7 157.9 -2.6 -6.8 9.9 80 86 A L + 0 0 12 -11,-0.7 20,-0.2 -2,-0.3 3,-0.1 -0.805 25.1 178.9 -93.5 124.6 -6.1 -5.3 9.8 81 87 A L - 0 0 36 18,-3.0 2,-0.3 -2,-0.5 19,-0.2 0.820 69.4 -21.0 -86.4 -36.6 -9.0 -7.6 10.8 82 88 A D E -E 99 0B 26 17,-1.4 17,-3.4 252,-0.1 2,-0.4 -0.984 46.4-154.9-169.4 156.9 -11.7 -5.0 10.3 83 89 A V E +E 98 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.992 28.5 159.9-142.2 129.4 -12.5 -1.2 10.1 84 90 A F E -E 97 0B 16 13,-2.0 13,-2.3 -2,-0.4 3,-0.1 -0.966 24.6-159.8-148.5 167.5 -15.9 0.2 10.9 85 91 A T - 0 0 16 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.980 24.5-136.1-144.7 147.1 -17.9 3.2 11.8 86 92 A P S S+ 0 0 8 0, 0.0 -81,-0.1 0, 0.0 -1,-0.1 0.859 77.5 107.8 -70.1 -35.1 -21.4 3.6 13.4 87 93 A A - 0 0 9 8,-0.2 -2,-0.2 5,-0.2 3,-0.1 -0.005 58.7-157.9 -43.5 142.0 -22.1 6.3 10.8 88 94 A R S S+ 0 0 171 1,-0.2 2,-0.3 -86,-0.0 -1,-0.1 0.430 72.2 24.6-107.0 -2.3 -24.5 5.3 8.1 89 95 A S S >> S- 0 0 44 1,-0.0 4,-1.5 0, 0.0 3,-1.5 -0.986 84.0-103.2-157.0 160.3 -23.4 7.9 5.5 90 96 A L T 34 S+ 0 0 49 -2,-0.3 236,-0.1 1,-0.3 -3,-0.0 0.650 123.0 57.5 -60.6 -14.2 -20.5 10.0 4.6 91 97 A E T 34 S+ 0 0 147 1,-0.1 -1,-0.3 3,-0.0 -4,-0.0 0.733 109.6 42.3 -86.2 -26.8 -22.4 12.9 6.2 92 98 A E T <4 S+ 0 0 111 -3,-1.5 2,-0.4 -6,-0.0 -2,-0.2 0.607 89.1 114.5 -91.4 -17.9 -22.6 11.0 9.5 93 99 A F < + 0 0 0 -4,-1.5 3,-0.1 1,-0.2 233,-0.1 -0.420 19.1 119.7 -65.2 116.2 -19.0 9.8 9.4 94 100 A N + 0 0 69 -2,-0.4 -41,-0.4 1,-0.2 2,-0.4 0.251 62.6 69.5-153.7 1.5 -16.7 11.3 12.1 95 101 A D - 0 0 58 -3,-0.1 2,-0.4 -44,-0.1 -1,-0.2 -0.969 54.9-172.6-131.6 139.2 -15.6 8.1 13.9 96 102 A V - 0 0 1 -47,-0.4 -47,-2.4 -2,-0.4 2,-0.4 -0.999 2.2-169.6-135.8 132.8 -13.3 5.3 12.7 97 103 A Y E -DE 48 84B 0 -13,-2.3 -13,-2.0 -2,-0.4 2,-0.4 -0.960 2.0-168.1-123.1 136.4 -12.5 2.0 14.4 98 104 A L E -DE 47 83B 7 -51,-2.0 -51,-2.9 -2,-0.4 2,-0.4 -0.992 9.3-154.7-124.9 134.6 -9.7 -0.3 13.3 99 105 A V E +DE 46 82B 0 -17,-3.4 -18,-3.0 -2,-0.4 -17,-1.4 -0.933 17.1 168.5-116.5 140.5 -9.5 -3.9 14.7 100 106 A T E -D 45 0B 23 -55,-3.0 -55,-2.8 -2,-0.4 2,-0.2 -0.765 41.6 -78.4-137.7 174.2 -6.4 -6.0 15.0 101 107 A H E -D 44 0B 79 -22,-0.5 2,-0.5 -57,-0.3 -57,-0.2 -0.537 43.7-129.1 -76.1 146.9 -5.3 -9.3 16.6 102 108 A L - 0 0 62 -59,-1.5 2,-0.2 -2,-0.2 -59,-0.1 -0.868 24.7-163.2 -99.3 126.4 -4.5 -9.0 20.3 103 109 A M - 0 0 33 -2,-0.5 50,-0.2 50,-0.1 3,-0.1 -0.494 26.5-113.8 -98.8 176.8 -1.1 -10.4 21.2 104 110 A G S S- 0 0 57 48,-0.3 2,-0.3 1,-0.2 49,-0.2 0.796 81.7 -15.0 -83.1 -35.3 0.1 -11.3 24.7 105 111 A A E -H 152 0C 38 47,-2.0 47,-3.6 4,-0.0 -1,-0.2 -0.993 55.3-121.2-164.4 165.4 2.8 -8.8 25.3 106 112 A D E >> -H 151 0C 48 -2,-0.3 4,-1.2 45,-0.3 3,-0.6 -0.447 39.9-102.4-102.6 178.9 5.1 -6.1 23.9 107 113 A L H 3> S+ 0 0 3 40,-2.4 4,-1.4 43,-1.1 41,-0.2 0.669 112.5 74.4 -78.7 -17.4 8.9 -6.0 24.0 108 114 A N H 34 S+ 0 0 84 39,-0.5 -1,-0.2 42,-0.2 40,-0.1 0.805 106.2 36.1 -62.3 -30.8 8.9 -3.4 26.7 109 115 A N H X4 S+ 0 0 80 -3,-0.6 3,-1.7 38,-0.2 -2,-0.2 0.795 105.2 65.9 -92.3 -37.3 7.9 -6.2 29.2 110 116 A I H 3< S+ 0 0 35 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.941 112.7 35.6 -52.7 -49.6 9.9 -9.1 27.8 111 117 A V T >< S+ 0 0 10 -4,-1.4 2,-2.3 2,-0.1 3,-1.6 0.315 81.0 145.3 -85.7 8.4 13.1 -7.5 28.7 112 118 A K T < S- 0 0 108 -3,-1.7 -3,-0.1 1,-0.3 3,-0.1 -0.194 97.5 -39.5 -50.2 77.7 11.4 -6.0 31.9 113 119 A C T 3 S+ 0 0 105 -2,-2.3 2,-0.3 90,-0.3 -1,-0.3 0.935 120.9 116.8 61.1 48.9 14.7 -6.3 33.8 114 120 A Q < - 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0 0 118 -2,-0.1 -22,-0.1 1,-0.1 -1,-0.1 -0.659 47.4 -98.3 -84.0 125.4 35.2 16.9 22.7 248 264 A Q - 0 0 137 -2,-0.4 -1,-0.1 -4,-0.1 -24,-0.0 -0.034 45.1-175.8 -43.2 139.7 36.8 14.2 20.5 249 265 A M - 0 0 40 -3,-0.1 -24,-1.0 -23,-0.1 2,-0.1 -0.994 20.5-126.8-145.3 134.9 35.9 10.6 21.4 250 266 A P - 0 0 102 0, 0.0 -26,-0.3 0, 0.0 2,-0.2 -0.454 30.1-109.2 -78.9 153.8 37.0 7.2 20.1 251 267 A K - 0 0 103 -28,-0.2 -28,-0.2 -2,-0.1 2,-0.1 -0.587 41.0-124.3 -75.5 140.1 34.5 4.6 19.0 252 268 A M - 0 0 75 -30,-2.3 2,-0.6 -2,-0.2 5,-0.1 -0.472 18.7-106.2 -84.8 161.4 34.5 1.7 21.5 253 269 A N > - 0 0 80 1,-0.1 3,-0.9 -2,-0.1 5,-0.1 -0.798 24.4-150.2 -86.7 118.7 35.2 -1.9 20.8 254 270 A F G >> S+ 0 0 1 -2,-0.6 4,-2.9 1,-0.2 3,-1.2 0.725 93.3 67.1 -64.3 -20.6 31.8 -3.6 21.0 255 271 A A G 34 S+ 0 0 54 1,-0.3 5,-0.3 2,-0.2 -1,-0.2 0.889 103.5 43.6 -65.7 -37.6 33.5 -6.8 22.1 256 272 A N G <4 S+ 0 0 117 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.116 117.6 48.1 -93.5 19.2 34.5 -5.1 25.3 257 273 A V T <4 S+ 0 0 42 -3,-1.2 2,-0.9 -5,-0.1 -2,-0.2 0.591 109.5 47.6-121.2 -43.8 31.1 -3.6 25.7 258 274 A F S >< S- 0 0 11 -4,-2.9 3,-1.4 -5,-0.1 8,-0.1 -0.509 86.0-162.1-101.3 62.5 28.8 -6.6 25.0 259 275 A I T 3 - 0 0 130 -2,-0.9 -3,-0.1 1,-0.3 -4,-0.1 -0.243 69.7 -2.8 -48.8 114.2 30.7 -9.0 27.4 260 276 A G T 3 S+ 0 0 79 -5,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.113 90.5 138.6 91.0 -23.3 29.9 -12.6 26.5 261 277 A A S < S- 0 0 25 -3,-1.4 -1,-0.3 1,-0.2 5,-0.1 -0.174 73.2 -77.1 -55.4 151.5 27.3 -12.0 23.8 262 278 A N >> - 0 0 40 1,-0.1 3,-1.8 2,-0.1 4,-1.5 -0.260 44.5-122.2 -51.1 128.2 27.6 -14.3 20.8 263 279 A P H 3> S+ 0 0 100 0, 0.0 4,-1.4 0, 0.0 3,-0.1 0.890 112.8 50.7 -39.1 -53.6 30.6 -13.1 18.7 264 280 A L H 3> S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 27,-0.2 0.731 102.1 62.7 -60.0 -25.0 28.4 -12.7 15.6 265 281 A A H <> S+ 0 0 0 -3,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.988 104.0 46.9 -63.7 -54.1 25.9 -10.7 17.7 266 282 A V H X S+ 0 0 12 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.802 110.2 53.9 -56.4 -31.8 28.6 -8.1 18.3 267 283 A D H X S+ 0 0 66 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.933 111.6 43.8 -69.3 -46.3 29.5 -8.1 14.5 268 284 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 3,-0.3 0.951 113.6 52.7 -63.7 -46.5 25.8 -7.4 13.6 269 285 A L H >X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 3,-2.2 0.951 106.9 50.1 -51.1 -58.9 25.5 -4.8 16.3 270 286 A E H 3< S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 110.6 52.4 -49.8 -35.5 28.6 -2.9 15.1 271 287 A K H 3< S+ 0 0 92 -4,-1.5 10,-2.2 -3,-0.3 -1,-0.3 0.653 114.8 41.3 -75.2 -18.7 27.1 -3.0 11.6 272 288 A M H << S+ 0 0 0 -3,-2.2 2,-0.9 -4,-1.0 -2,-0.2 0.789 107.1 58.7 -98.0 -37.9 23.8 -1.5 12.9 273 289 A L S < S+ 0 0 3 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.2 -0.367 74.7 134.3 -94.0 54.4 25.0 1.1 15.3 274 290 A V - 0 0 45 -2,-0.9 6,-0.1 -3,-0.2 -51,-0.0 -0.803 54.0-142.7-103.0 144.4 27.1 3.1 12.9 275 291 A L S S+ 0 0 13 -2,-0.3 2,-1.3 -52,-0.2 -99,-0.2 0.901 85.3 82.2 -70.6 -40.4 26.9 6.9 12.7 276 292 A D > - 0 0 13 1,-0.2 3,-2.2 3,-0.1 4,-0.4 -0.508 60.7-169.8 -72.1 97.2 27.2 7.0 8.9 277 293 A S G > S+ 0 0 2 -2,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.804 88.7 62.6 -55.5 -30.4 23.6 6.3 7.7 278 294 A D G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.808 112.5 35.2 -62.3 -34.0 25.2 5.9 4.3 279 295 A K G < S+ 0 0 128 -3,-2.2 2,-0.2 2,-0.1 -1,-0.2 0.195 88.2 115.3-110.3 16.6 27.2 2.9 5.7 280 296 A R S < S- 0 0 8 -3,-0.8 -8,-0.2 -4,-0.4 -93,-0.1 -0.609 74.3-103.2 -83.7 145.7 24.7 1.4 8.1 281 297 A I - 0 0 13 -10,-2.2 2,-0.1 -2,-0.2 -91,-0.1 -0.363 35.2-127.2 -69.2 150.5 23.5 -2.1 7.2 282 298 A T > - 0 0 57 1,-0.1 4,-2.0 -3,-0.0 5,-0.2 -0.440 20.8-108.0 -91.2 173.7 20.1 -2.5 5.6 283 299 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.975 119.7 46.1 -64.7 -55.2 17.3 -4.9 6.7 284 300 A A H > S+ 0 0 47 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.827 115.9 48.5 -55.4 -36.1 17.6 -7.3 3.7 285 301 A Q H 4 S+ 0 0 120 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.805 108.7 51.7 -73.9 -35.6 21.4 -7.3 4.3 286 302 A A H >< S+ 0 0 0 -4,-2.0 3,-1.0 -3,-0.3 -2,-0.2 0.818 102.6 61.8 -72.1 -28.0 21.1 -7.9 8.0 287 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.781 101.2 52.2 -66.1 -29.4 18.9 -10.9 7.3 288 304 A A T 3< S+ 0 0 63 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.504 85.1 118.5 -86.2 -6.2 21.7 -12.6 5.3 289 305 A H S X S- 0 0 25 -3,-1.0 3,-1.4 -4,-0.2 7,-0.2 -0.219 75.2-121.0 -60.2 152.1 24.1 -12.1 8.3 290 306 A A G > S+ 0 0 62 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.683 106.0 77.4 -71.6 -17.2 25.4 -15.3 9.9 291 307 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -27,-0.2 3,-0.2 0.771 103.5 41.5 -61.2 -21.0 24.0 -14.5 13.2 292 308 A F G X> S+ 0 0 0 -3,-1.4 4,-3.9 -6,-0.2 3,-0.9 0.043 73.3 122.3-114.4 21.3 20.7 -15.7 11.6 293 309 A A T <4 S+ 0 0 77 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.832 76.2 54.7 -55.2 -32.8 21.9 -18.8 9.6 294 310 A Q T 34 S+ 0 0 164 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.815 122.9 25.7 -70.0 -31.9 19.4 -20.9 11.5 295 311 A Y T <4 S+ 0 0 60 -3,-0.9 -2,-0.2 -8,-0.1 -1,-0.2 0.703 92.0 111.3-103.6 -28.2 16.5 -18.7 10.5 296 312 A H < + 0 0 55 -4,-3.9 -8,-0.1 -7,-0.2 5,-0.0 -0.244 31.9 164.2 -54.7 135.3 17.6 -17.1 7.3 297 313 A D > - 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