==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-OCT-10 3PG3 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,M.GETLIK,D.RAUH . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 62.3 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 11.0 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 . 1 0.3 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 . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 27.9 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 2 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 . 1 0 2 1 1 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 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 0.000 360.0 360.0 360.0 147.6 -43.5 -16.5 27.7 2 5 A R - 0 0 95 1,-0.1 3,-0.1 3,-0.0 89,-0.0 -0.630 360.0-114.5 -73.2 133.7 -43.0 -13.8 25.1 3 6 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.256 28.3-101.6 -68.6 158.8 -42.3 -10.4 26.8 4 7 A T - 0 0 85 1,-0.0 15,-2.4 2,-0.0 2,-0.3 -0.703 40.8-153.9 -80.5 127.6 -44.7 -7.5 26.5 5 8 A F E -A 18 0A 31 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.717 7.4-159.2-100.7 151.3 -43.4 -4.9 24.0 6 9 A Y E -A 17 0A 57 11,-2.4 11,-1.6 -2,-0.3 2,-0.3 -0.967 13.1-133.0-126.6 152.4 -44.0 -1.2 23.8 7 10 A R E +A 16 0A 153 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.742 27.5 165.8-105.0 148.1 -43.7 1.1 20.9 8 11 A Q E -A 15 0A 78 7,-2.0 7,-2.9 -2,-0.3 2,-0.5 -0.945 37.7-113.9-162.5 141.1 -42.0 4.5 20.8 9 12 A E E +A 14 0A 119 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.666 47.6 155.2 -79.2 118.9 -40.7 7.1 18.3 10 13 A L E > +A 13 0A 13 3,-3.2 3,-1.9 -2,-0.5 -2,-0.1 -0.987 61.4 0.6-149.3 137.8 -36.9 7.4 18.5 11 14 A N T 3 S- 0 0 60 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.840 129.0 -57.4 48.5 41.1 -34.3 8.5 15.9 12 15 A K T 3 S+ 0 0 192 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.448 123.8 88.5 76.2 2.6 -37.0 9.2 13.3 13 16 A T E < S-A 10 0A 65 -3,-1.9 -3,-3.2 -5,-0.1 2,-0.8 -0.831 84.0-105.8-128.3 162.6 -38.2 5.5 13.6 14 17 A I E -A 9 0A 88 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.821 36.9-159.8 -91.6 105.7 -40.7 3.5 15.6 15 18 A W E -A 8 0A 2 -7,-2.9 -7,-2.0 -2,-0.8 2,-0.4 -0.593 4.7-162.4 -80.2 145.2 -38.7 1.3 18.1 16 19 A E E +A 7 0A 43 -2,-0.2 -9,-0.2 -9,-0.2 -11,-0.0 -0.887 21.8 160.6-134.7 104.3 -40.4 -1.7 19.7 17 20 A V E -A 6 0A 2 -11,-1.6 -11,-2.4 -2,-0.4 2,-0.1 -0.826 45.1 -92.0-124.6 154.9 -38.7 -3.1 22.8 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.399 41.8-116.7 -62.8 147.5 -39.5 -5.4 25.8 19 22 A E T 3 S+ 0 0 105 -15,-2.4 22,-0.1 1,-0.3 -14,-0.1 0.660 107.6 77.3 -69.0 -16.5 -40.8 -3.3 28.7 20 23 A R T 3 S+ 0 0 54 -16,-0.2 21,-2.9 1,-0.1 2,-0.9 0.819 82.7 77.0 -55.2 -32.2 -37.9 -4.4 30.9 21 24 A Y E < S-B 40 0B 0 -3,-1.9 2,-0.2 19,-0.2 3,-0.2 -0.746 75.2-174.7 -88.5 106.3 -35.9 -1.8 28.9 22 25 A Q E +B 39 0B 70 17,-3.0 17,-2.6 -2,-0.9 -2,-0.1 -0.659 45.5 13.6-108.2 154.3 -36.9 1.6 30.3 23 26 A N E S- 0 0 119 -2,-0.2 2,-0.2 15,-0.2 -1,-0.2 0.913 70.3-159.7 56.5 57.1 -36.3 5.3 29.5 24 27 A L E + 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.493 17.6 169.1 -69.9 131.1 -34.7 5.0 26.0 25 28 A S E -B 37 0B 63 12,-1.9 12,-3.2 -2,-0.2 -15,-0.1 -0.954 36.3-107.0-145.0 129.8 -32.7 8.0 24.9 26 29 A P E -B 36 0B 64 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.113 37.6-167.3 -51.4 139.6 -30.4 8.3 21.9 27 30 A V + 0 0 46 8,-2.0 8,-0.4 1,-0.1 5,-0.3 -0.919 58.4 26.3-130.4 159.2 -26.6 8.4 22.4 28 31 A G S > S- 0 0 36 -2,-0.3 3,-1.7 1,-0.2 2,-1.5 0.431 101.2-102.0 75.9 1.3 -23.4 9.2 20.5 29 32 A S T 3 S- 0 0 121 1,-0.3 -1,-0.2 6,-0.1 -2,-0.0 -0.246 83.5 -47.9 75.2 -45.6 -25.4 11.5 18.2 30 33 A G T > S+ 0 0 44 -2,-1.5 3,-1.3 4,-0.0 -1,-0.3 0.238 109.9 115.6 162.9 2.4 -25.4 8.8 15.6 31 34 A A T < S+ 0 0 79 -3,-1.7 -3,-0.1 1,-0.3 -2,-0.1 0.554 84.3 41.8 -71.9 -13.2 -21.7 7.7 15.5 32 35 A Y T 3 S- 0 0 89 1,-0.6 2,-0.3 -5,-0.3 -1,-0.3 0.259 121.6-106.8-112.0 7.6 -22.5 4.2 16.8 33 36 A G S < S- 0 0 31 -3,-1.3 2,-1.2 -5,-0.1 -1,-0.6 -0.721 76.1 -16.5 97.5-154.0 -25.6 3.8 14.5 34 37 A S E S+ C 0 51B 26 17,-0.5 17,-2.6 -2,-0.3 2,-0.4 -0.732 87.6 155.2 -89.7 93.5 -29.1 4.0 15.9 35 38 A V E - C 0 50B 14 -2,-1.2 -8,-2.0 -8,-0.4 2,-0.4 -0.964 25.9-167.4-126.7 136.7 -28.4 3.4 19.6 36 39 A C E -BC 26 49B 0 13,-2.6 13,-2.9 -2,-0.4 2,-0.3 -0.971 21.8-128.9-118.4 140.0 -30.4 4.4 22.7 37 40 A A E +BC 25 48B 8 -12,-3.2 -12,-1.9 -2,-0.4 2,-0.3 -0.642 39.9 173.4 -73.8 143.3 -29.2 4.3 26.4 38 41 A A E - C 0 47B 7 9,-2.8 9,-2.9 -2,-0.3 2,-0.5 -0.952 34.5-120.1-145.8 165.6 -31.7 2.4 28.5 39 42 A F E -BC 22 46B 84 -17,-2.6 -17,-3.0 -2,-0.3 2,-0.9 -0.963 21.9-145.6-110.6 121.4 -32.2 1.1 32.0 40 43 A D E >> -BC 21 45B 4 5,-3.4 4,-2.2 -2,-0.5 5,-1.0 -0.771 11.9-170.6 -88.0 106.3 -32.7 -2.7 32.2 41 44 A T T 45S+ 0 0 76 -21,-2.9 -1,-0.2 -2,-0.9 -20,-0.1 0.782 80.9 59.9 -68.9 -28.5 -35.2 -3.2 35.1 42 45 A K T 45S+ 0 0 156 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.891 121.9 20.8 -65.7 -40.1 -34.7 -7.0 35.1 43 46 A T T 45S- 0 0 39 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.606 98.9-121.6-107.0 -15.6 -31.0 -6.8 35.8 44 47 A G T <5 + 0 0 46 -4,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.724 68.2 134.0 73.6 25.6 -30.5 -3.3 37.3 45 48 A L E < -C 40 0B 45 -5,-1.0 -5,-3.4 59,-0.0 2,-0.5 -0.839 61.7-124.8-110.5 144.5 -28.0 -2.4 34.6 46 49 A R E -C 39 0B 175 -2,-0.4 59,-2.1 -7,-0.2 2,-0.2 -0.749 45.4-176.7 -75.2 124.4 -27.6 0.6 32.4 47 50 A V E -CD 38 104B 0 -9,-2.9 -9,-2.8 -2,-0.5 2,-0.4 -0.755 28.5-131.5-122.7 167.7 -27.7 -0.8 28.8 48 51 A A E -CD 37 103B 12 55,-2.8 55,-2.2 -2,-0.2 2,-0.5 -0.989 18.1-160.2-116.7 132.3 -27.3 0.3 25.2 49 52 A V E -CD 36 102B 0 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.960 5.8-162.4-111.8 123.6 -29.9 -0.9 22.7 50 53 A K E -CD 35 101B 63 51,-3.1 51,-2.3 -2,-0.5 2,-0.8 -0.939 8.8-153.6-109.7 122.3 -28.9 -0.8 19.0 51 54 A K E -CD 34 100B 16 -17,-2.6 -17,-0.5 -2,-0.5 49,-0.2 -0.844 26.9-129.0 -89.1 109.1 -31.5 -1.0 16.2 52 55 A L - 0 0 14 47,-2.3 2,-0.6 -2,-0.8 47,-0.3 -0.379 21.7-124.4 -58.8 133.1 -29.7 -2.5 13.3 53 56 A S S S- 0 0 89 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 -0.739 77.8 -22.7 -88.0 123.4 -30.2 -0.3 10.2 54 57 A R S > S+ 0 0 162 -2,-0.6 3,-1.3 1,-0.1 4,-0.3 0.896 75.7 177.0 50.3 54.2 -31.7 -2.1 7.2 55 58 A P T 3 S+ 0 0 5 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.820 77.0 27.0 -63.4 -30.6 -30.5 -5.5 8.4 56 59 A F T 3 S+ 0 0 17 41,-0.4 -2,-0.1 1,-0.1 267,-0.1 -0.071 85.3 110.7-121.7 32.2 -32.1 -7.5 5.5 57 60 A Q S < S+ 0 0 118 -3,-1.3 2,-0.3 -4,-0.1 -1,-0.1 0.823 89.1 5.4 -74.9 -33.7 -32.2 -4.9 2.7 58 61 A S S > S- 0 0 40 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.907 80.6-100.8-143.7 167.5 -29.5 -6.6 0.6 59 62 A I H > S+ 0 0 83 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.904 123.2 51.0 -59.3 -43.4 -27.5 -9.8 0.6 60 63 A I H > S+ 0 0 93 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 111.7 46.5 -60.5 -47.5 -24.5 -7.9 2.0 61 64 A H H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 113.9 48.0 -59.1 -45.5 -26.6 -6.4 4.8 62 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.890 112.8 48.9 -64.8 -40.4 -28.1 -9.7 5.7 63 66 A K H X S+ 0 0 51 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.904 112.3 47.8 -65.5 -45.0 -24.7 -11.4 5.7 64 67 A R H X S+ 0 0 161 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.873 110.1 52.6 -61.5 -42.6 -23.2 -8.7 7.9 65 68 A T H X S+ 0 0 11 -4,-2.4 4,-2.4 -10,-0.4 5,-0.2 0.943 113.4 43.6 -59.1 -48.6 -26.2 -8.9 10.3 66 69 A Y H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.903 113.1 51.4 -66.1 -43.1 -25.7 -12.7 10.6 67 70 A R H X S+ 0 0 126 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.925 113.7 43.6 -60.7 -46.4 -21.9 -12.5 11.0 68 71 A E H X S+ 0 0 73 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.945 115.5 46.8 -69.2 -47.1 -22.1 -9.9 13.8 69 72 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 115.0 46.3 -57.5 -48.0 -24.8 -11.6 15.7 70 73 A R H X S+ 0 0 54 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.908 115.5 46.5 -63.6 -42.8 -23.2 -15.0 15.5 71 74 A L H >X S+ 0 0 35 -4,-2.2 4,-1.4 -5,-0.2 3,-0.7 0.946 112.8 47.7 -63.4 -52.4 -19.8 -13.6 16.4 72 75 A L H 3< S+ 0 0 16 -4,-3.0 11,-0.6 1,-0.3 -2,-0.2 0.860 109.4 54.8 -60.2 -35.9 -21.1 -11.5 19.4 73 76 A K H 3< S+ 0 0 35 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.803 108.7 49.5 -63.0 -30.2 -23.1 -14.6 20.6 74 77 A H H << S+ 0 0 43 -4,-1.1 2,-0.7 -3,-0.7 232,-0.2 0.739 88.6 95.1 -81.1 -27.5 -19.8 -16.6 20.6 75 78 A M < + 0 0 9 -4,-1.4 8,-0.4 -3,-0.1 2,-0.3 -0.591 39.7 157.1 -76.7 110.9 -17.7 -14.0 22.6 76 79 A K + 0 0 157 -2,-0.7 2,-0.3 6,-0.1 6,-0.1 -0.714 29.2 112.2-135.2 79.3 -17.7 -14.9 26.3 77 80 A H > - 0 0 15 3,-0.4 3,-1.4 -2,-0.3 57,-0.0 -0.987 68.5-121.2-152.4 146.9 -14.7 -13.2 27.9 78 81 A E T 3 S+ 0 0 106 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.768 112.7 44.7 -65.0 -28.3 -14.2 -10.4 30.5 79 82 A N T 3 S+ 0 0 8 83,-0.1 84,-2.6 2,-0.1 2,-0.4 0.164 104.8 72.0-104.7 17.4 -12.1 -8.3 28.1 80 83 A V B < S-f 163 0C 5 -3,-1.4 -3,-0.4 82,-0.3 84,-0.2 -0.979 92.6 -95.3-130.3 142.1 -14.2 -8.8 25.0 81 84 A I - 0 0 19 82,-2.8 2,-0.3 -2,-0.4 -4,-0.1 -0.256 44.9-165.7 -50.8 136.8 -17.6 -7.2 24.2 82 85 A G - 0 0 26 -6,-0.1 2,-0.5 -4,-0.1 22,-0.3 -0.881 21.1-112.7-123.2 161.4 -20.5 -9.6 25.1 83 86 A L - 0 0 10 -11,-0.6 20,-0.2 -8,-0.4 3,-0.1 -0.838 20.5-174.4 -94.4 126.1 -24.2 -9.6 24.2 84 87 A L S S- 0 0 26 18,-2.7 2,-0.3 -2,-0.5 19,-0.2 0.859 71.6 -20.5 -79.9 -38.4 -26.6 -9.0 27.0 85 88 A D E -E 102 0B 23 17,-1.4 17,-2.7 250,-0.1 -1,-0.3 -0.971 50.6-159.6-162.3 158.3 -29.7 -9.6 24.9 86 89 A V E +E 101 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.950 25.9 164.3-145.4 136.9 -30.9 -9.7 21.3 87 90 A F E -E 100 0B 13 13,-1.9 13,-2.3 -2,-0.3 244,-0.1 -0.976 26.0-157.6-149.6 163.5 -34.6 -9.5 20.3 88 91 A T - 0 0 12 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.978 22.6-138.4-135.1 145.4 -37.1 -8.8 17.6 89 92 A P S S+ 0 0 18 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.762 74.2 110.2 -71.3 -20.3 -40.7 -7.7 18.0 90 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.188 57.3-157.7 -59.3 141.1 -41.7 -10.2 15.3 91 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.537 75.0 11.3 -95.9 -10.7 -43.7 -13.2 16.4 92 95 A S S S- 0 0 38 1,-0.1 3,-0.3 0, 0.0 4,-0.2 -0.946 84.7 -94.0-155.1 172.8 -42.7 -15.4 13.4 93 96 A L S > S+ 0 0 57 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.839 115.6 65.6 -59.8 -34.7 -40.3 -15.6 10.5 94 97 A E T 3 S+ 0 0 155 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.894 110.2 33.1 -60.4 -45.0 -42.9 -13.9 8.2 95 98 A E T 3 S+ 0 0 103 -3,-0.3 2,-0.7 -6,-0.0 -1,-0.3 0.247 86.7 127.2 -97.2 12.0 -42.9 -10.6 10.0 96 99 A F < + 0 0 0 -3,-1.2 3,-0.1 -4,-0.2 231,-0.1 -0.600 18.0 127.6 -72.5 109.0 -39.2 -10.7 11.0 97 100 A N + 0 0 90 -2,-0.7 -41,-0.4 1,-0.2 2,-0.3 0.509 55.0 59.0-134.7 -16.2 -37.6 -7.4 9.8 98 101 A D - 0 0 51 -3,-0.2 2,-0.4 -43,-0.1 -8,-0.3 -0.926 51.9-167.6-126.3 147.3 -35.8 -5.8 12.7 99 102 A V - 0 0 0 -2,-0.3 -47,-2.3 -47,-0.3 2,-0.4 -1.000 5.1-164.6-133.2 129.1 -33.0 -6.9 15.0 100 103 A Y E -DE 51 87B 1 -13,-2.3 -13,-1.9 -2,-0.4 2,-0.4 -0.974 5.2-157.4-116.7 130.6 -32.0 -5.1 18.3 101 104 A L E -DE 50 86B 9 -51,-2.3 -51,-3.1 -2,-0.4 2,-0.5 -0.874 5.9-158.4-104.8 137.8 -28.7 -5.8 20.0 102 105 A V E +DE 49 85B 0 -17,-2.7 -18,-2.7 -2,-0.4 -17,-1.4 -0.976 20.9 155.0-120.2 126.8 -28.3 -5.1 23.8 103 106 A T E -D 48 0B 24 -55,-2.2 -55,-2.8 -2,-0.5 -20,-0.1 -0.811 51.6 -70.1-128.8 174.5 -25.0 -4.5 25.5 104 107 A H E -D 47 0B 78 -22,-0.3 2,-0.5 -2,-0.3 -57,-0.3 -0.370 55.2-109.1 -54.9 143.5 -23.7 -2.8 28.6 105 108 A L - 0 0 48 -59,-2.1 2,-0.5 -67,-0.1 -59,-0.1 -0.726 36.2-148.8 -76.7 127.3 -23.8 1.0 28.3 106 109 A M - 0 0 60 -2,-0.5 3,-0.1 1,-0.1 50,-0.1 -0.894 16.6-169.2-108.3 127.5 -20.3 2.2 28.0 107 110 A G + 0 0 87 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.656 67.5 15.9 -86.4 -16.8 -19.3 5.6 29.4 108 111 A A - 0 0 25 47,-0.1 47,-2.3 3,-0.0 2,-0.2 -0.997 53.2-148.1-160.0 145.2 -15.8 5.9 27.9 109 112 A D B >> -G 154 0C 24 -2,-0.3 3,-0.8 45,-0.2 4,-0.7 -0.593 50.7 -89.0-103.6 176.1 -13.3 4.6 25.3 110 113 A L H >> S+ 0 0 0 43,-1.6 4,-2.1 40,-1.4 3,-1.1 0.846 125.6 57.2 -59.4 -38.5 -9.5 4.5 25.8 111 114 A N H 3> S+ 0 0 65 1,-0.2 4,-2.7 39,-0.2 -1,-0.3 0.861 102.5 55.9 -56.6 -37.9 -9.0 8.1 24.4 112 115 A N H <4 S+ 0 0 89 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.665 111.0 46.2 -67.1 -17.7 -11.4 9.4 27.1 113 116 A I H << S+ 0 0 46 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.824 117.9 39.9 -88.8 -39.8 -9.1 7.7 29.7 114 117 A V H >< S- 0 0 4 -4,-2.1 3,-1.9 2,-0.1 -2,-0.2 0.908 73.1-171.1 -80.0 -47.0 -5.8 9.0 28.2 115 118 A K T 3< S- 0 0 162 -4,-2.7 3,-0.1 1,-0.3 -3,-0.1 0.869 75.6 -64.8 51.0 43.7 -6.8 12.6 27.3 116 119 A S T 3 S+ 0 0 96 -5,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.680 111.2 124.4 55.5 21.2 -3.4 12.9 25.5 117 120 A Q < - 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