==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-FEB-09 3GCP . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,D.RAUH . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 62.0 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 . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.0 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 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 0 2 0 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 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 0 249 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.9 43.2 -17.2 -27.8 2 5 A R - 0 0 97 1,-0.1 2,-0.1 3,-0.0 89,-0.0 -0.689 360.0-118.0 -90.3 143.9 42.7 -13.9 -25.8 3 6 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.413 35.1-101.6 -68.2 158.2 42.0 -10.6 -27.6 4 7 A T - 0 0 90 -2,-0.1 15,-2.1 1,-0.0 2,-0.2 -0.740 41.7-150.9 -81.8 123.4 44.5 -7.8 -27.2 5 8 A F E -A 18 0A 25 -2,-0.6 2,-0.3 13,-0.2 11,-0.0 -0.562 6.5-154.7 -88.8 159.8 43.1 -5.3 -24.6 6 9 A Y E -A 17 0A 56 11,-2.5 11,-2.0 -2,-0.2 2,-0.4 -0.984 12.5-130.4-132.7 148.0 43.8 -1.6 -24.4 7 10 A R E +A 16 0A 157 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.794 31.0 164.4-100.0 137.8 43.7 0.8 -21.4 8 11 A Q E -A 15 0A 69 7,-2.5 7,-2.5 -2,-0.4 2,-0.4 -0.967 34.7-125.0-154.7 130.8 41.8 4.1 -21.4 9 12 A E E +A 14 0A 135 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.680 43.9 150.7 -82.9 133.7 40.6 6.5 -18.8 10 13 A L E > +A 13 0A 17 3,-1.9 3,-1.9 -2,-0.4 -2,-0.1 -0.949 63.0 8.5-161.1 140.7 36.8 7.2 -19.0 11 14 A N T 3 S- 0 0 47 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.838 129.8 -60.5 43.8 39.9 34.2 8.1 -16.3 12 15 A K T 3 S+ 0 0 190 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.608 119.4 80.2 69.5 18.3 37.1 8.6 -13.8 13 16 A T E < S-A 10 0A 62 -3,-1.9 -3,-1.9 -5,-0.1 2,-1.0 -0.957 88.7 -93.9-138.8 162.7 38.5 5.0 -13.9 14 17 A I E -A 9 0A 84 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.714 39.3-158.6 -77.9 103.5 40.8 2.9 -16.1 15 18 A W E -A 8 0A 2 -7,-2.5 -7,-2.5 -2,-1.0 2,-0.4 -0.676 5.2-164.3 -70.9 133.9 38.5 1.1 -18.6 16 19 A E E +A 7 0A 36 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.935 20.8 157.2-130.2 112.0 40.3 -2.0 -20.1 17 20 A V E -A 6 0A 2 -11,-2.0 -11,-2.5 -2,-0.4 -2,-0.0 -0.862 45.6 -87.2-136.9 156.5 38.7 -3.5 -23.2 18 21 A P E > -A 5 0A 2 0, 0.0 3,-1.7 0, 0.0 -13,-0.2 -0.368 40.7-119.5 -63.4 149.7 39.3 -5.6 -26.2 19 22 A E T 3 S+ 0 0 108 -15,-2.1 22,-0.2 1,-0.3 -14,-0.1 0.650 106.3 79.5 -67.7 -17.2 40.6 -3.6 -29.2 20 23 A R T 3 S+ 0 0 53 -16,-0.2 21,-2.2 20,-0.1 2,-0.7 0.823 83.5 73.6 -55.3 -31.9 37.5 -4.8 -31.2 21 24 A Y E < S+B 40 0B 0 -3,-1.7 2,-0.3 19,-0.2 19,-0.2 -0.807 73.0 175.9 -92.6 117.1 35.6 -2.1 -29.3 22 25 A Q E +B 39 0B 68 17,-3.0 17,-2.9 -2,-0.7 -2,-0.0 -0.759 44.7 26.7-120.4 157.4 36.5 1.4 -30.6 23 26 A N E S- 0 0 116 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.934 72.3-157.0 63.2 51.9 35.7 5.0 -30.1 24 27 A L E + 0 0 17 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.451 17.0 175.8 -68.0 129.5 34.5 4.8 -26.5 25 28 A S E -B 37 0B 66 12,-2.3 12,-3.0 -2,-0.2 -15,-0.0 -0.932 29.9-120.8-142.9 115.0 32.2 7.6 -25.5 26 29 A P E +B 36 0B 61 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.177 29.6 172.5 -61.6 138.7 30.4 7.8 -22.1 27 30 A V E - 0 0 91 8,-2.5 2,-0.3 1,-0.5 9,-0.2 0.505 67.3 -12.2-114.9 -16.9 26.6 7.9 -22.2 28 31 A G E -B 35 0B 23 7,-1.3 7,-2.9 2,-0.0 -1,-0.5 -0.901 50.2-164.3 178.7 142.0 26.1 7.6 -18.5 29 32 A S E +B 34 0B 86 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.873 23.1 141.8-129.2 170.8 27.5 6.9 -15.1 30 33 A G E > -B 33 0B 37 3,-1.2 3,-0.7 -2,-0.3 -2,-0.0 -0.954 66.4 -67.4 177.4-175.9 25.9 6.1 -11.7 31 34 A A T 3 S+ 0 0 99 -2,-0.3 22,-0.1 1,-0.2 3,-0.1 0.854 126.2 61.3 -64.1 -37.5 26.4 4.0 -8.6 32 35 A Y T 3 S- 0 0 112 1,-0.2 21,-2.4 20,-0.1 2,-0.3 0.783 122.9 -96.4 -53.3 -31.4 25.7 0.8 -10.6 33 36 A G E < -BC 30 52B 2 -3,-0.7 -3,-1.2 19,-0.3 2,-0.3 -0.964 49.0 -73.8 137.4-157.4 28.8 1.6 -12.7 34 37 A S E -BC 29 51B 8 17,-1.7 17,-2.6 -2,-0.3 2,-0.3 -0.911 27.9-141.9-141.2 172.7 29.0 3.4 -16.1 35 38 A V E -BC 28 50B 24 -7,-2.9 -8,-2.5 -2,-0.3 -7,-1.3 -0.980 7.9-168.4-135.8 138.1 28.4 2.9 -19.8 36 39 A C E -BC 26 49B 0 13,-2.0 13,-2.7 -2,-0.3 2,-0.3 -0.974 21.9-130.1-121.4 145.9 30.1 3.9 -23.0 37 40 A A E +BC 25 48B 22 -12,-3.0 -12,-2.3 -2,-0.4 2,-0.3 -0.618 39.3 170.0 -72.3 148.0 28.9 3.8 -26.5 38 41 A A E - C 0 47B 8 9,-2.0 9,-2.6 -2,-0.3 2,-0.5 -0.980 36.4-115.5-151.0 165.5 31.4 2.1 -28.8 39 42 A F E -BC 22 46B 79 -17,-2.9 -17,-3.0 -2,-0.3 2,-1.0 -0.933 23.1-143.9-102.7 131.9 31.7 0.8 -32.3 40 43 A D E >>> -BC 21 45B 0 5,-3.1 4,-2.7 -2,-0.5 5,-0.9 -0.816 12.5-170.6 -97.4 92.4 32.3 -3.0 -32.5 41 44 A T T 345S+ 0 0 78 -21,-2.2 -1,-0.2 -2,-1.0 -20,-0.1 0.732 82.1 59.8 -49.0 -28.1 34.7 -3.4 -35.4 42 45 A K T 345S+ 0 0 148 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.867 121.7 18.4 -77.3 -41.9 34.2 -7.1 -35.2 43 46 A T T <45S- 0 0 70 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.532 100.4-121.3 -99.2 -14.7 30.4 -7.3 -35.8 44 47 A G T <5 + 0 0 42 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.635 68.2 137.3 77.0 15.2 30.1 -3.7 -37.3 45 48 A L E < -C 40 0B 62 -5,-0.9 -5,-3.1 -6,-0.0 2,-0.5 -0.738 60.6-127.2-104.3 143.3 27.6 -2.9 -34.5 46 49 A R E -C 39 0B 190 -2,-0.3 59,-2.0 -7,-0.2 2,-0.3 -0.738 45.6-178.6 -76.0 127.7 27.1 0.2 -32.3 47 50 A V E -CD 38 104B 0 -9,-2.6 -9,-2.0 -2,-0.5 2,-0.5 -0.838 31.2-130.1-133.1 156.1 27.2 -1.2 -28.8 48 51 A A E -CD 37 103B 15 55,-2.9 55,-1.9 -2,-0.3 2,-0.5 -0.970 21.5-159.9-105.1 135.3 26.9 -0.2 -25.2 49 52 A V E -CD 36 102B 0 -13,-2.7 -13,-2.0 -2,-0.5 2,-0.5 -0.973 4.6-160.1-113.6 116.4 29.6 -1.4 -22.9 50 53 A K E -CD 35 101B 39 51,-3.3 51,-2.2 -2,-0.5 2,-0.7 -0.864 4.6-160.7 -97.9 125.4 28.8 -1.5 -19.1 51 54 A K E -CD 34 100B 19 -17,-2.6 -17,-1.7 -2,-0.5 49,-0.2 -0.920 24.2-131.4 -99.2 113.6 31.6 -1.6 -16.5 52 55 A L E -C 33 0B 10 47,-2.5 2,-0.4 -2,-0.7 -19,-0.3 -0.345 16.0-132.3 -63.0 141.1 30.1 -2.7 -13.2 53 56 A S S S- 0 0 50 -21,-2.4 4,-0.1 1,-0.2 -1,-0.1 -0.822 78.5 -14.7 -91.7 137.6 31.0 -0.7 -10.2 54 57 A R S > S+ 0 0 177 -2,-0.4 3,-1.1 1,-0.1 4,-0.3 0.834 76.4 171.5 43.1 54.8 32.2 -2.4 -7.1 55 58 A P T 3 S+ 0 0 4 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.857 78.0 26.7 -69.9 -28.3 31.0 -5.8 -8.4 56 59 A F T 3 S+ 0 0 15 41,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.114 85.8 113.4-122.8 36.2 32.6 -7.8 -5.6 57 60 A Q S < S- 0 0 114 -3,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.817 88.8 -2.9 -77.5 -34.4 32.7 -5.1 -2.8 58 61 A S S > S- 0 0 36 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 -0.945 79.8 -94.4-150.6 166.7 30.3 -7.0 -0.6 59 62 A I H > S+ 0 0 81 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.903 124.8 50.2 -51.2 -47.4 28.1 -10.1 -0.6 60 63 A I H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 112.1 45.8 -60.7 -44.3 25.1 -8.1 -1.9 61 64 A H H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 115.7 47.3 -62.9 -44.8 27.1 -6.5 -4.8 62 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.926 111.8 49.9 -62.5 -47.7 28.6 -10.0 -5.7 63 66 A K H X S+ 0 0 49 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.910 113.3 46.4 -56.2 -49.7 25.2 -11.6 -5.5 64 67 A R H X S+ 0 0 145 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.803 109.1 53.8 -62.2 -39.4 23.7 -8.9 -7.8 65 68 A T H X S+ 0 0 8 -4,-2.0 4,-2.6 -10,-0.4 -2,-0.2 0.916 110.3 48.4 -60.0 -47.1 26.6 -9.1 -10.3 66 69 A Y H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 113.7 46.4 -62.4 -43.0 26.0 -12.9 -10.6 67 70 A R H X S+ 0 0 107 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.909 111.5 50.5 -66.6 -44.9 22.2 -12.4 -11.1 68 71 A E H X S+ 0 0 45 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.968 115.0 43.7 -58.3 -51.2 22.7 -9.6 -13.6 69 72 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 116.0 47.0 -56.6 -49.7 25.1 -11.7 -15.7 70 73 A R H X S+ 0 0 20 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.898 113.9 47.4 -63.9 -43.9 23.0 -14.9 -15.4 71 74 A L H X S+ 0 0 23 -4,-2.9 4,-1.8 2,-0.2 3,-0.4 0.947 112.3 49.6 -64.1 -48.3 19.8 -13.1 -16.3 72 75 A L H < S+ 0 0 22 -4,-2.7 11,-0.7 -5,-0.3 -2,-0.2 0.890 109.8 51.7 -57.6 -39.9 21.5 -11.4 -19.3 73 76 A K H < S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.808 111.5 46.9 -68.6 -29.6 22.9 -14.7 -20.6 74 77 A H H < S+ 0 0 78 -4,-1.4 2,-1.0 -3,-0.4 -1,-0.2 0.768 89.0 90.9 -86.6 -28.3 19.6 -16.4 -20.5 75 78 A M < + 0 0 11 -4,-1.8 2,-0.4 -5,-0.1 8,-0.4 -0.595 45.0 158.2 -69.8 99.2 17.5 -13.6 -22.2 76 79 A K + 0 0 145 -2,-1.0 2,-0.3 6,-0.1 6,-0.1 -0.713 27.1 113.0-127.5 81.8 17.6 -14.5 -26.0 77 80 A H > - 0 0 17 3,-0.5 3,-1.7 -2,-0.4 57,-0.0 -0.989 69.5-122.0-154.6 137.9 14.6 -12.8 -27.6 78 81 A E T 3 S+ 0 0 120 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.728 113.3 47.1 -51.3 -30.7 14.2 -10.0 -30.2 79 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.3 2,-0.1 2,-0.3 -0.025 105.3 67.7-106.3 30.8 12.1 -7.9 -27.8 80 83 A V B < S-f 163 0C 7 -3,-1.7 -3,-0.5 82,-0.3 84,-0.2 -0.991 92.0-100.6-144.5 135.1 14.3 -8.3 -24.7 81 84 A I - 0 0 15 82,-2.2 2,-0.2 -2,-0.3 -6,-0.1 -0.329 48.9-177.8 -52.7 127.8 17.8 -6.9 -24.0 82 85 A G - 0 0 19 -6,-0.1 2,-0.5 -4,-0.1 22,-0.2 -0.757 28.5 -95.8-119.3-179.6 20.4 -9.7 -24.6 83 86 A L + 0 0 14 -11,-0.7 20,-0.3 -8,-0.4 3,-0.1 -0.853 25.8 179.3-103.9 125.4 24.1 -10.0 -24.2 84 87 A L S S- 0 0 26 18,-3.5 2,-0.3 -2,-0.5 19,-0.2 0.840 75.9 -15.5 -83.4 -37.2 26.4 -9.5 -27.2 85 88 A D E -E 102 0B 20 17,-1.4 17,-2.8 251,-0.1 -1,-0.4 -0.982 49.5-157.8-159.3 156.1 29.5 -10.1 -25.1 86 89 A V E +E 101 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.969 27.4 168.7-137.8 134.6 30.9 -10.3 -21.5 87 90 A F E -E 100 0B 13 13,-2.1 13,-2.4 -2,-0.3 -2,-0.0 -0.971 23.2-166.0-143.6 156.2 34.6 -9.8 -20.8 88 91 A T - 0 0 15 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.980 25.8-137.2-135.7 143.4 37.1 -9.2 -18.1 89 92 A P S S+ 0 0 17 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.648 76.2 110.8 -63.4 -17.2 40.7 -8.1 -18.6 90 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.315 53.8-164.7 -71.1 140.8 41.6 -10.8 -16.0 91 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.532 74.3 18.0-102.0 -10.9 43.5 -13.9 -17.1 92 95 A S S >> S- 0 0 35 1,-0.1 3,-0.8 0, 0.0 4,-0.5 -0.948 81.4-104.3-147.5 170.8 42.7 -15.9 -14.0 93 96 A L G >4 S+ 0 0 57 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.906 115.5 65.5 -59.8 -42.6 40.3 -16.1 -11.1 94 97 A E G 34 S+ 0 0 164 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.724 110.7 35.2 -55.8 -28.4 43.0 -14.7 -8.8 95 98 A E G <4 S+ 0 0 104 -3,-0.8 2,-0.4 2,-0.0 -1,-0.3 0.407 86.8 124.8-106.8 2.1 43.1 -11.4 -10.7 96 99 A F << + 0 0 2 -3,-1.4 3,-0.1 -4,-0.5 232,-0.1 -0.469 17.4 125.7 -67.9 117.1 39.3 -11.2 -11.5 97 100 A N + 0 0 89 -2,-0.4 2,-0.4 1,-0.3 -41,-0.3 0.481 55.1 63.2-146.5 -22.6 37.8 -7.9 -10.3 98 101 A D - 0 0 42 -43,-0.1 2,-0.4 -44,-0.1 -8,-0.3 -0.945 52.8-168.2-118.4 139.2 36.1 -6.1 -13.2 99 102 A V - 0 0 0 -2,-0.4 -47,-2.5 -47,-0.3 2,-0.4 -0.992 3.4-169.8-125.3 123.4 33.1 -7.3 -15.3 100 103 A Y E -DE 51 87B 0 -13,-2.4 -13,-2.1 -2,-0.4 2,-0.4 -0.955 5.7-160.4-113.8 135.0 32.0 -5.5 -18.6 101 104 A L E -DE 50 86B 8 -51,-2.2 -51,-3.3 -2,-0.4 2,-0.4 -0.946 4.6-158.3-117.8 134.2 28.7 -6.3 -20.3 102 105 A V E +DE 49 85B 1 -17,-2.8 -18,-3.5 -2,-0.4 -17,-1.4 -0.926 22.3 146.0-121.6 133.2 28.0 -5.6 -23.9 103 106 A T E -D 48 0B 19 -55,-1.9 -55,-2.9 -2,-0.4 -20,-0.1 -0.867 56.7 -59.2-144.5 173.6 24.6 -5.2 -25.8 104 107 A H E -D 47 0B 73 -57,-0.3 -57,-0.3 -2,-0.3 2,-0.2 -0.412 60.1-105.7 -56.1 135.4 23.3 -3.1 -28.7 105 108 A L - 0 0 63 -59,-2.0 2,-0.5 -67,-0.2 -59,-0.1 -0.440 36.1-163.6 -60.8 128.1 23.5 0.7 -28.2 106 109 A M + 0 0 36 -2,-0.2 3,-0.1 1,-0.1 50,-0.0 -0.945 15.6 175.2-125.9 111.1 20.1 2.0 -27.4 107 110 A G + 0 0 72 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.456 61.4 40.9 -96.4 -1.1 19.7 5.7 -27.8 108 111 A A - 0 0 20 61,-0.0 47,-2.3 3,-0.0 2,-0.2 -0.996 57.3-155.2-154.3 135.8 15.9 6.2 -27.2 109 112 A D B > -G 154 0C 5 -2,-0.3 4,-1.0 45,-0.3 3,-0.3 -0.507 47.9 -89.1-102.2 177.0 13.1 4.9 -24.9 110 113 A L H > S+ 0 0 2 43,-1.6 4,-2.0 40,-1.4 5,-0.3 0.811 127.7 53.1 -58.5 -39.6 9.4 4.8 -25.7 111 114 A N H > S+ 0 0 69 39,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.899 106.9 53.4 -52.0 -47.6 8.9 8.4 -24.3 112 115 A N H 4 S+ 0 0 80 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.717 113.9 42.6 -63.8 -25.3 11.7 9.7 -26.6 113 116 A I H < S+ 0 0 48 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.759 123.9 31.5 -94.7 -34.9 10.0 8.1 -29.6 114 117 A V H >< S- 0 0 16 -4,-2.0 3,-0.9 -5,-0.2 -3,-0.2 0.851 78.2-163.0 -94.3 -36.8 6.3 9.1 -29.0 115 118 A K T 3< - 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