==== 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 3IW6 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,D.RAUH . 337 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 61.4 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 . 41 12.2 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.5 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+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 0 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 . 0 1 2 0 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 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 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.0 -2.3 -26.2 9.1 2 5 A R - 0 0 105 1,-0.1 2,-0.1 88,-0.0 88,-0.0 -0.300 360.0-121.1 -55.0 133.8 -5.1 -25.5 6.6 3 6 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.445 27.9-106.0 -70.6 156.5 -8.4 -24.6 8.2 4 7 A T - 0 0 99 -2,-0.1 15,-2.1 1,-0.0 2,-0.2 -0.728 38.1-150.1 -82.5 134.7 -11.5 -26.7 7.6 5 8 A F E -A 18 0A 27 -2,-0.4 2,-0.3 13,-0.2 11,-0.1 -0.674 11.9-167.1-102.5 156.1 -14.0 -25.1 5.2 6 9 A Y E -A 17 0A 46 11,-2.0 11,-1.8 -2,-0.2 2,-0.3 -0.947 12.1-140.5-134.9 158.9 -17.8 -25.4 5.0 7 10 A R E +A 16 0A 149 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.812 22.7 162.0-117.1 156.3 -20.1 -24.2 2.3 8 11 A Q E -A 15 0A 63 7,-1.1 7,-2.1 -2,-0.3 2,-0.3 -0.880 33.7-117.8-165.7 146.5 -23.6 -22.7 2.2 9 12 A E E +A 14 0A 141 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.645 28.2 175.0 -83.6 141.8 -25.6 -20.8 -0.4 10 13 A L E > S-A 13 0A 18 3,-2.5 3,-1.1 -2,-0.3 -2,-0.1 -0.871 74.0 -15.6-145.2 116.3 -26.6 -17.2 0.2 11 14 A N T 3 S- 0 0 115 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.893 128.1 -50.2 56.7 47.9 -28.4 -15.4 -2.6 12 15 A K T 3 S+ 0 0 101 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.374 117.1 109.6 81.0 -2.6 -27.4 -17.8 -5.4 13 16 A T E < -A 10 0A 38 -3,-1.1 -3,-2.5 2,-0.0 2,-0.5 -0.889 62.9-140.7-105.3 131.8 -23.8 -17.8 -4.4 14 17 A I E -A 9 0A 54 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.814 20.3-164.8 -83.1 130.2 -21.9 -20.7 -2.8 15 18 A W E -A 8 0A 4 -7,-2.1 -7,-1.1 -2,-0.5 2,-0.6 -0.984 7.1-168.3-114.0 122.7 -19.5 -19.3 -0.1 16 19 A E E +A 7 0A 43 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.950 21.8 161.7-110.5 116.8 -16.9 -21.6 1.2 17 20 A V E -A 6 0A 1 -11,-1.8 -11,-2.0 -2,-0.6 -2,-0.0 -0.874 43.5 -89.4-129.0 158.4 -15.2 -20.2 4.3 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.8 0, 0.0 -13,-0.2 -0.272 42.7-110.3 -61.5 152.9 -13.1 -21.5 7.2 19 22 A E T 3 S+ 0 0 96 -15,-2.1 21,-0.2 1,-0.3 -14,-0.1 0.738 110.7 81.5 -61.3 -26.9 -15.0 -22.7 10.3 20 23 A R T 3 S+ 0 0 52 -16,-0.2 20,-2.7 1,-0.1 2,-0.6 0.864 83.9 67.6 -36.1 -48.2 -13.6 -19.6 12.0 21 24 A Y E < +B 39 0B 0 -3,-1.8 2,-0.2 18,-0.2 18,-0.2 -0.777 68.0 169.1 -97.7 121.7 -16.4 -17.6 10.4 22 25 A Q E +B 38 0B 61 16,-2.8 16,-3.3 -2,-0.6 -2,-0.0 -0.680 47.9 35.8-123.4 166.7 -19.9 -18.2 11.5 23 26 A N E S- 0 0 123 -2,-0.2 -1,-0.2 14,-0.2 2,-0.1 0.867 71.5-161.9 60.6 42.7 -23.4 -16.7 11.2 24 27 A L E + 0 0 15 -3,-0.2 13,-0.2 13,-0.1 -1,-0.2 -0.366 13.1 178.1 -60.5 127.7 -22.8 -15.5 7.6 25 28 A S E -B 36 0B 65 11,-2.7 11,-2.9 -2,-0.1 -15,-0.0 -0.964 27.9-120.5-140.7 116.9 -25.4 -12.9 6.8 26 29 A P E +B 35 0B 51 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.229 35.7 162.2 -56.3 137.1 -25.7 -10.9 3.4 27 30 A V E - 0 0 80 7,-2.8 2,-0.3 1,-0.4 8,-0.2 0.532 62.3 -12.0-124.9 -29.5 -25.4 -7.2 3.7 28 31 A G E B 34 0B 15 6,-1.7 6,-3.6 139,-0.1 -1,-0.4 -0.991 360.0 360.0-171.5 166.8 -24.6 -6.1 0.1 29 32 A S 0 0 120 -2,-0.3 4,-0.2 4,-0.3 20,-0.0 -0.932 360.0 360.0-166.0 360.0 -23.6 -7.1 -3.5 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 95 0, 0.0 21,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -34.0 -16.7 -6.2 -7.7 32 36 A G E - C 0 51B 17 19,-0.3 2,-0.3 21,-0.0 19,-0.2 -0.980 360.0 -85.8 177.7 178.8 -18.2 -8.7 -5.2 33 37 A S E - C 0 50B 19 17,-1.7 17,-2.7 -2,-0.3 2,-0.4 -0.835 34.1-145.6-109.5 150.5 -20.8 -9.7 -2.6 34 38 A V E -BC 28 49B 19 -6,-3.6 -7,-2.8 -2,-0.3 -6,-1.7 -0.945 12.4-174.3-124.7 127.4 -20.5 -9.0 1.2 35 39 A C E -BC 26 48B 2 13,-2.5 13,-3.4 -2,-0.4 2,-0.2 -0.969 22.1-135.0-112.1 135.9 -21.6 -11.0 4.3 36 40 A A E +BC 25 47B 16 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.3 -0.508 39.6 167.8 -69.6 155.3 -21.4 -9.8 7.9 37 41 A A E - C 0 46B 6 9,-1.9 9,-3.1 -13,-0.2 2,-0.6 -0.976 37.3-109.4-164.4 165.5 -20.1 -12.7 10.0 38 42 A F E -BC 22 45B 72 -16,-3.3 -16,-2.8 -2,-0.3 2,-0.9 -0.951 21.5-147.2-110.6 125.1 -18.8 -13.6 13.4 39 43 A D E >>> -BC 21 44B 2 5,-3.2 4,-2.1 -2,-0.6 3,-0.7 -0.802 10.9-170.2 -89.9 104.3 -15.1 -14.4 13.7 40 44 A T T 345S+ 0 0 77 -20,-2.7 -1,-0.2 -2,-0.9 -19,-0.1 0.783 80.8 61.9 -66.0 -29.1 -14.9 -17.0 16.5 41 45 A K T 345S+ 0 0 159 -21,-0.2 -1,-0.2 1,-0.2 -20,-0.1 0.827 121.2 20.2 -66.7 -31.2 -11.1 -16.9 16.6 42 46 A T T <45S- 0 0 47 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.609 96.6-120.9-111.7 -18.7 -11.0 -13.2 17.6 43 47 A G T <5S+ 0 0 48 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.506 70.5 132.6 80.7 6.5 -14.4 -12.4 19.0 44 48 A L E < -C 39 0B 44 -5,-0.6 -5,-3.2 -6,-0.0 2,-0.4 -0.671 59.5-129.4 -93.9 143.4 -14.8 -9.8 16.2 45 49 A R E -C 38 0B 164 -2,-0.3 59,-2.0 -7,-0.2 2,-0.3 -0.738 40.6-171.5 -78.6 139.5 -17.8 -9.2 13.9 46 50 A V E -CD 37 103B 0 -9,-3.1 -9,-1.9 -2,-0.4 2,-0.5 -0.909 28.7-128.3-136.8 157.1 -16.4 -9.0 10.4 47 51 A A E -CD 36 102B 16 55,-3.0 55,-2.4 -2,-0.3 2,-0.5 -0.933 24.7-160.8-103.5 130.2 -17.3 -8.2 6.8 48 52 A V E -CD 35 101B 0 -13,-3.4 -13,-2.5 -2,-0.5 2,-0.6 -0.966 2.1-162.1-113.2 123.9 -16.4 -11.0 4.3 49 53 A K E -CD 34 100B 32 51,-3.0 51,-2.8 -2,-0.5 2,-0.7 -0.929 4.0-160.1-111.6 120.0 -16.2 -10.1 0.6 50 54 A K E -CD 33 99B 25 -17,-2.7 -17,-1.7 -2,-0.6 49,-0.2 -0.886 24.7-128.0 -93.4 114.7 -16.3 -12.8 -2.0 51 55 A L E -C 32 0B 7 47,-2.7 2,-0.6 -2,-0.7 47,-0.3 -0.339 22.5-118.2 -65.0 144.0 -14.9 -11.5 -5.3 52 56 A S S S- 0 0 58 -21,-2.3 -1,-0.1 1,-0.2 45,-0.0 -0.779 79.0 -29.8 -90.0 116.4 -17.1 -11.9 -8.3 53 57 A R S > S- 0 0 148 -2,-0.6 3,-1.5 1,-0.1 4,-0.4 0.891 77.1-175.6 47.9 53.1 -15.6 -14.1 -11.1 54 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.750 73.7 24.7 -58.1 -30.3 -12.1 -13.0 -10.1 55 59 A F T 3 S+ 0 0 14 41,-0.4 -2,-0.1 5,-0.1 269,-0.1 -0.013 86.0 106.3-126.0 31.3 -10.2 -14.8 -13.0 56 60 A Q S < S+ 0 0 114 -3,-1.5 2,-0.3 1,-0.1 -1,-0.1 0.746 91.5 13.2 -86.1 -22.6 -12.8 -15.2 -15.7 57 61 A S S > S- 0 0 39 -4,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.911 82.5-105.3-142.0 169.0 -11.1 -12.5 -17.9 58 62 A I H > S+ 0 0 86 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.918 120.5 50.5 -59.2 -47.1 -7.9 -10.6 -17.9 59 63 A I H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.833 109.5 48.7 -69.7 -32.3 -9.5 -7.5 -16.6 60 64 A H H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.930 113.9 48.7 -65.8 -47.0 -11.3 -9.3 -13.7 61 65 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.908 112.2 48.4 -54.6 -46.7 -7.8 -10.9 -12.8 62 66 A K H X S+ 0 0 57 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.918 112.8 47.5 -62.6 -48.1 -6.2 -7.5 -13.0 63 67 A R H X S+ 0 0 157 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.871 110.6 52.8 -59.5 -43.5 -8.8 -6.0 -10.8 64 68 A T H X S+ 0 0 8 -4,-2.7 4,-2.6 -10,-0.4 5,-0.2 0.940 110.1 47.0 -58.4 -48.7 -8.5 -8.8 -8.3 65 69 A Y H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.932 112.8 50.0 -62.4 -45.6 -4.8 -8.4 -8.1 66 70 A R H X S+ 0 0 74 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.930 112.7 45.8 -56.9 -50.1 -5.1 -4.6 -7.6 67 71 A E H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.953 115.4 45.8 -63.6 -47.7 -7.7 -4.9 -4.9 68 72 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.944 116.7 44.5 -57.6 -51.1 -5.8 -7.6 -3.0 69 73 A R H X S+ 0 0 33 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.924 114.6 48.7 -64.8 -45.4 -2.5 -5.8 -3.2 70 74 A L H >X S+ 0 0 18 -4,-2.7 4,-1.6 -5,-0.3 3,-0.8 0.959 112.9 46.9 -54.7 -55.6 -4.0 -2.4 -2.3 71 75 A L H 3< S+ 0 0 13 -4,-2.7 11,-0.7 -5,-0.3 -1,-0.2 0.825 109.1 55.2 -60.1 -33.2 -5.8 -3.7 0.7 72 76 A K H 3< S+ 0 0 35 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.786 110.5 46.9 -68.2 -27.5 -2.7 -5.6 1.9 73 77 A H H << S+ 0 0 73 -4,-1.3 2,-0.8 -3,-0.8 -2,-0.2 0.757 89.5 91.6 -88.7 -24.0 -0.7 -2.4 1.8 74 78 A M < + 0 0 13 -4,-1.6 2,-0.4 -5,-0.1 8,-0.3 -0.621 44.3 160.8 -79.3 106.9 -3.3 -0.2 3.6 75 79 A K + 0 0 167 -2,-0.8 2,-0.3 6,-0.1 5,-0.1 -0.794 28.1 111.8-128.6 87.3 -2.5 -0.3 7.4 76 80 A H > - 0 0 21 3,-0.5 3,-1.6 -2,-0.4 57,-0.0 -0.980 69.4-118.8-160.9 144.5 -4.1 2.6 9.1 77 81 A E T 3 S+ 0 0 121 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.740 112.5 41.7 -59.6 -31.9 -6.9 3.2 11.6 78 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.3 51,-0.1 2,-0.4 0.074 105.1 71.4-108.0 22.6 -9.0 5.3 9.2 79 83 A V B < S-f 162 0C 8 -3,-1.6 -3,-0.5 82,-0.3 84,-0.2 -0.997 91.1-101.6-134.6 139.8 -8.5 3.3 6.0 80 84 A I + 0 0 14 82,-3.0 2,-0.3 -2,-0.4 -6,-0.1 -0.334 50.3 168.9 -64.5 134.9 -10.0 -0.1 5.2 81 85 A G - 0 0 16 -4,-0.1 2,-0.4 22,-0.1 22,-0.3 -0.856 32.7 -86.4-140.2 178.8 -7.5 -3.0 5.6 82 86 A L + 0 0 15 -11,-0.7 20,-0.3 -8,-0.3 3,-0.1 -0.740 24.1 176.1-101.9 131.7 -7.5 -6.7 5.8 83 87 A L S S- 0 0 18 18,-3.6 2,-0.3 -2,-0.4 19,-0.2 0.701 81.3 -11.1 -89.4 -27.1 -8.0 -9.0 8.8 84 88 A D E -E 101 0B 24 17,-1.4 17,-2.4 252,-0.1 -1,-0.3 -0.983 51.8-158.4-160.9 158.7 -7.7 -12.1 6.5 85 89 A V E +E 100 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.931 26.8 168.8-144.1 133.9 -7.7 -13.3 2.9 86 90 A F E -E 99 0B 13 13,-2.1 13,-2.2 -2,-0.3 3,-0.1 -0.977 25.0-168.4-143.3 156.3 -8.6 -16.8 1.9 87 91 A T - 0 0 17 -2,-0.3 11,-0.1 2,-0.2 -70,-0.1 -0.990 24.6-140.4-131.8 141.6 -9.3 -19.3 -0.8 88 92 A P S S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.877 74.7 110.5 -62.8 -30.7 -10.8 -22.8 -0.4 89 93 A A - 0 0 12 8,-0.2 -2,-0.2 5,-0.2 6,-0.1 -0.024 57.5-159.0 -45.7 141.0 -8.4 -23.8 -3.2 90 94 A R S S+ 0 0 173 1,-0.1 2,-0.3 -88,-0.0 -1,-0.1 0.381 72.3 17.4-105.2 -0.7 -5.4 -26.0 -2.1 91 95 A S S > S- 0 0 30 1,-0.1 4,-1.0 0, 0.0 3,-0.4 -0.973 82.9 -99.6-157.7 170.2 -3.2 -25.2 -5.1 92 96 A L T >4 S+ 0 0 54 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.907 119.2 59.6 -60.3 -40.8 -2.7 -22.8 -7.9 93 97 A E T 34 S+ 0 0 158 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.837 112.4 37.1 -60.0 -34.5 -4.4 -25.2 -10.3 94 98 A E T 34 S+ 0 0 99 -3,-0.4 2,-0.6 -6,-0.0 -1,-0.2 0.493 85.4 125.4 -97.1 -2.4 -7.7 -25.2 -8.3 95 99 A F << + 0 0 0 -4,-1.0 3,-0.1 -3,-0.7 233,-0.1 -0.394 19.1 131.2 -58.3 102.6 -7.5 -21.4 -7.4 96 100 A N + 0 0 82 -2,-0.6 -41,-0.4 1,-0.2 2,-0.3 0.499 55.5 50.7-131.2 -11.7 -10.8 -19.9 -8.5 97 101 A D - 0 0 49 -43,-0.1 2,-0.4 -44,-0.1 -8,-0.2 -0.978 53.2-164.8-140.0 146.7 -12.2 -17.8 -5.7 98 102 A V - 0 0 0 -2,-0.3 -47,-2.7 -47,-0.3 2,-0.4 -0.999 4.4-169.8-135.4 132.3 -10.9 -15.1 -3.4 99 103 A Y E -DE 50 86B 1 -13,-2.2 -13,-2.1 -2,-0.4 2,-0.4 -0.985 6.0-158.3-125.1 136.3 -12.4 -13.8 -0.1 100 104 A L E -DE 49 85B 7 -51,-2.8 -51,-3.0 -2,-0.4 2,-0.4 -0.898 5.5-158.2-114.9 140.6 -11.4 -10.8 1.8 101 105 A V E +DE 48 84B 0 -17,-2.4 -18,-3.6 -2,-0.4 -17,-1.4 -0.972 18.9 157.8-121.1 134.5 -12.1 -10.2 5.5 102 106 A T E -D 47 0B 22 -55,-2.4 -55,-3.0 -2,-0.4 -20,-0.1 -0.932 50.2 -69.5-142.1 168.3 -12.1 -6.9 7.4 103 107 A H E -D 46 0B 53 -2,-0.3 2,-0.6 -22,-0.3 -57,-0.3 -0.379 51.6-119.6 -54.8 129.6 -13.6 -5.3 10.6 104 108 A L + 0 0 42 -59,-2.0 -59,-0.2 1,-0.2 -1,-0.1 -0.660 34.0 175.9 -74.2 117.4 -17.4 -5.0 10.3 105 109 A M - 0 0 25 -2,-0.6 51,-0.2 50,-0.1 -1,-0.2 0.857 23.4-153.9 -89.1 -43.4 -18.2 -1.3 10.7 106 110 A G + 0 0 67 -3,-0.1 2,-0.3 49,-0.1 49,-0.1 0.160 60.7 42.8 101.1 -16.3 -21.9 -1.9 10.1 107 111 A A E -G 154 0C 26 47,-0.8 47,-2.7 4,-0.0 2,-0.3 -0.958 62.3-143.8-152.5 159.4 -22.8 1.5 8.7 108 112 A D E >> -G 153 0C 25 -2,-0.3 4,-1.5 45,-0.3 3,-1.1 -0.769 47.3 -78.9-123.2-178.8 -21.7 4.3 6.4 109 113 A L H 3> S+ 0 0 2 40,-1.5 4,-2.5 43,-1.4 5,-0.2 0.854 126.0 51.1 -55.3 -48.8 -21.9 8.0 6.5 110 114 A N H 3> S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.863 109.8 54.6 -45.7 -40.8 -25.6 8.4 5.4 111 115 A N H <4 S+ 0 0 84 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.893 113.8 36.8 -65.4 -48.9 -26.6 5.8 8.1 112 116 A I H < S+ 0 0 44 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.881 125.0 43.8 -64.4 -44.4 -25.0 7.6 11.0 113 117 A V H >< S- 0 0 9 -4,-2.5 3,-1.1 -5,-0.3 -2,-0.2 0.968 72.7-173.0 -74.1 -61.1 -26.0 11.0 9.6 114 118 A K T 3< - 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