==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-AUG-11 3ZYA . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.ROMIR,S.C.KOEBERLE,S.A.LAUFER,T.STEHLE . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 61.3 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 . 38 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 . 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 28.0 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 1 0 2 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 3 0 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 S 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.1 45.8 -33.3 -23.9 2 -3 A H + 0 0 180 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.324 360.0 117.0-109.7 2.9 48.6 -30.8 -24.4 3 -2 A M - 0 0 181 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.572 46.3-167.8 -72.9 129.5 48.0 -30.3 -28.1 4 -1 A L - 0 0 145 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.848 25.2-113.6-116.1 155.4 47.0 -26.7 -29.0 5 0 A E - 0 0 173 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.749 20.3-164.6 -81.5 130.0 45.6 -25.1 -32.2 6 1 A M S S+ 0 0 174 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.441 71.4 2.1 -96.1 0.7 48.2 -22.7 -33.6 7 2 A S - 0 0 81 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.963 64.2-140.1-170.4 169.5 45.6 -21.0 -35.9 8 3 A Q - 0 0 183 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.996 15.3-127.1-148.2 146.5 41.9 -21.0 -36.8 9 4 A E - 0 0 156 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.752 21.5-129.2 -94.7 136.0 39.9 -20.7 -40.0 10 5 A R - 0 0 100 -2,-0.4 89,-0.0 1,-0.1 3,-0.0 -0.577 34.8-108.3 -72.8 141.7 37.2 -18.1 -40.4 11 6 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.325 34.7-102.8 -63.8 159.0 33.9 -19.7 -41.7 12 7 A T - 0 0 88 -3,-0.1 15,-3.0 1,-0.0 16,-0.3 -0.742 40.5-156.6 -81.6 132.2 32.9 -18.9 -45.2 13 8 A F E -A 26 0A 23 -2,-0.4 2,-0.3 13,-0.3 11,-0.0 -0.700 7.1-161.8-103.8 156.8 30.1 -16.3 -45.3 14 9 A Y E -A 25 0A 52 11,-2.4 11,-1.8 -2,-0.3 2,-0.3 -0.970 12.0-132.3-135.9 160.7 27.5 -15.7 -48.0 15 10 A R E +A 24 0A 152 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.812 28.5 156.3-114.2 148.4 25.2 -12.7 -48.7 16 11 A Q E -A 23 0A 47 7,-1.5 7,-2.8 -2,-0.3 2,-0.4 -0.978 40.9-102.1-160.5 160.4 21.5 -12.5 -49.4 17 12 A E E +A 22 0A 113 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.788 42.2 160.5 -92.4 130.5 18.6 -10.0 -49.2 18 13 A L E > S+A 21 0A 18 3,-3.2 3,-1.3 -2,-0.4 -2,-0.1 -0.959 70.1 3.3-147.6 131.4 16.1 -10.5 -46.4 19 14 A N T 3 S- 0 0 70 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.904 131.0 -60.4 56.3 41.7 13.7 -7.8 -45.1 20 15 A K T 3 S+ 0 0 174 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.598 123.1 89.4 64.7 13.7 14.9 -5.5 -47.9 21 16 A T E < S-A 18 0A 59 -3,-1.3 -3,-3.2 -5,-0.0 2,-0.5 -0.895 82.8 -98.8-134.9 165.7 18.4 -5.6 -46.5 22 17 A I E -A 17 0A 71 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.766 29.8-165.0 -89.2 124.4 21.6 -7.7 -46.9 23 18 A W E -A 16 0A 0 -7,-2.8 -7,-1.5 -2,-0.5 2,-0.5 -0.918 1.6-164.6-102.1 132.5 22.3 -10.5 -44.3 24 19 A E E +A 15 0A 48 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.950 23.5 156.2-122.4 109.5 25.8 -11.9 -44.3 25 20 A V E -A 14 0A 0 -11,-1.8 -11,-2.4 -2,-0.5 -2,-0.0 -0.879 47.3 -83.0-134.1 157.2 26.0 -15.2 -42.4 26 21 A P E > -A 13 0A 4 0, 0.0 3,-2.3 0, 0.0 -13,-0.3 -0.312 41.7-115.9 -58.0 148.6 28.2 -18.3 -42.2 27 22 A E T 3 S+ 0 0 99 -15,-3.0 22,-0.1 1,-0.3 -14,-0.1 0.695 108.9 83.6 -62.0 -18.4 27.4 -20.9 -44.8 28 23 A R T 3 S+ 0 0 46 -16,-0.3 21,-2.6 20,-0.1 2,-0.5 0.844 83.0 67.1 -43.9 -40.1 26.5 -23.0 -41.7 29 24 A Y E < +B 48 0B 0 -3,-2.3 2,-0.3 19,-0.2 19,-0.2 -0.807 69.9 174.2 -98.6 124.6 23.1 -21.3 -41.7 30 25 A Q E +B 47 0B 80 17,-2.7 17,-3.1 -2,-0.5 -2,-0.0 -0.813 48.6 25.7-126.3 161.9 20.7 -22.1 -44.7 31 26 A N E S- 0 0 121 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.933 72.4-170.4 56.0 54.0 17.2 -21.4 -45.8 32 27 A L E + 0 0 11 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.528 11.7 169.7 -74.3 140.6 16.7 -18.1 -43.9 33 28 A S E -B 45 0B 51 12,-2.1 12,-3.1 -2,-0.2 -15,-0.1 -0.974 35.1-105.1-148.4 145.2 13.3 -16.5 -43.7 34 29 A P E -B 44 0B 55 0, 0.0 2,-0.4 0, 0.0 10,-0.3 -0.283 31.7-162.2 -67.8 146.7 12.0 -13.6 -41.6 35 30 A V E > +B 43 0B 50 8,-2.6 3,-0.6 1,-0.1 8,-0.5 -0.967 65.3 9.5-124.3 150.0 9.8 -14.2 -38.6 36 31 A G G > S- 0 0 32 -2,-0.4 3,-1.4 1,-0.2 5,-0.1 0.288 95.8-109.0 76.8 -10.5 7.5 -11.9 -36.7 37 32 A S G 3 S- 0 0 115 1,-0.3 -1,-0.2 6,-0.2 0, 0.0 0.919 81.5 -39.5 48.5 57.8 7.8 -9.0 -39.2 38 33 A G G X S+ 0 0 56 -3,-0.6 3,-0.8 5,-0.2 -1,-0.3 0.158 111.0 114.1 88.3 -19.0 9.9 -6.7 -37.1 39 34 A A T < S+ 0 0 75 -3,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.819 89.2 29.7 -54.0 -36.5 8.1 -7.4 -33.9 40 35 A Y T 3 S- 0 0 60 -5,-0.3 -1,-0.3 3,-0.1 -4,-0.1 0.380 125.6 -94.3-109.2 0.8 11.2 -9.0 -32.3 41 36 A G S < S- 0 0 36 -3,-0.8 18,-0.2 2,-0.1 -2,-0.1 0.962 80.8 -29.8 87.0 81.0 13.8 -7.0 -34.2 42 37 A S S S+ 0 0 37 1,-0.2 17,-2.6 16,-0.1 2,-0.4 0.948 82.6 162.2 48.9 72.2 15.2 -8.4 -37.4 43 38 A V E -BC 35 58B 20 -8,-0.5 -8,-2.6 15,-0.2 2,-0.4 -0.981 17.1-171.1-125.5 132.2 14.9 -12.2 -36.7 44 39 A C E -BC 34 57B 0 13,-2.5 13,-3.3 -2,-0.4 2,-0.3 -0.944 20.1-131.7-120.0 142.1 15.1 -14.9 -39.3 45 40 A A E +BC 33 56B 3 -12,-3.1 -12,-2.1 -2,-0.4 2,-0.3 -0.644 37.7 170.5 -80.7 152.3 14.4 -18.6 -38.9 46 41 A A E - C 0 55B 0 9,-2.2 9,-2.8 -2,-0.3 2,-0.5 -0.975 38.7-108.9-154.8 165.1 17.1 -20.8 -40.4 47 42 A F E -BC 30 54B 86 -17,-3.1 -17,-2.7 -2,-0.3 2,-0.8 -0.924 28.5-147.9 -98.1 123.8 18.4 -24.4 -40.7 48 43 A D E >> -BC 29 53B 0 5,-3.0 4,-1.4 -2,-0.5 5,-0.9 -0.841 8.4-167.3 -94.2 107.7 21.7 -24.8 -38.8 49 44 A T T 45S+ 0 0 73 -21,-2.6 -1,-0.1 -2,-0.8 -20,-0.1 0.636 82.1 57.3 -74.8 -13.0 23.6 -27.4 -40.7 50 45 A K T 45S+ 0 0 100 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.0 0.960 120.7 22.2 -77.9 -57.6 26.1 -27.9 -37.8 51 46 A T T 45S- 0 0 41 2,-0.1 -2,-0.2 296,-0.1 -1,-0.1 0.556 102.3-128.3 -85.8 -10.7 23.7 -28.9 -35.0 52 47 A G T <5 + 0 0 39 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.850 68.6 110.4 64.6 37.6 21.1 -30.0 -37.5 53 48 A L E S+ 0 0 130 1,-0.1 3,-1.2 45,-0.1 4,-0.2 -0.140 71.5 132.9-123.2 43.7 22.7 -0.4 -35.3 63 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.655 78.3 36.0 -65.8 -19.8 24.4 -1.7 -32.1 64 59 A F T 3 S+ 0 0 22 41,-0.2 6,-0.1 -3,-0.1 268,-0.1 -0.023 74.7 123.5-125.3 30.8 27.0 1.1 -31.8 65 60 A Q S < S- 0 0 125 -3,-1.2 2,-0.3 2,-0.1 -1,-0.1 0.822 84.7 -4.6 -65.9 -33.4 24.9 4.1 -32.9 66 61 A S S > S- 0 0 37 -4,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.889 81.8 -92.8-147.3 176.6 25.5 6.0 -29.7 67 62 A I H > S+ 0 0 73 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.944 126.7 50.7 -61.4 -45.8 27.1 5.5 -26.3 68 63 A I H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 112.8 45.3 -55.8 -48.1 23.7 4.4 -24.9 69 64 A H H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 112.8 50.6 -60.9 -45.4 23.3 1.9 -27.8 70 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.922 110.6 47.7 -65.1 -43.6 26.8 0.6 -27.6 71 66 A K H X S+ 0 0 42 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.898 111.9 51.6 -64.2 -37.7 26.6 -0.0 -23.8 72 67 A R H X S+ 0 0 134 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.877 108.2 51.3 -64.1 -38.5 23.2 -1.8 -24.3 73 68 A T H X S+ 0 0 11 -4,-2.3 4,-2.5 -10,-0.4 -2,-0.2 0.947 111.7 46.8 -63.5 -46.0 24.7 -4.0 -27.0 74 69 A Y H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.949 112.8 49.8 -59.8 -50.1 27.5 -5.0 -24.7 75 70 A R H X S+ 0 0 46 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.914 111.5 48.1 -52.2 -50.6 25.1 -5.6 -21.8 76 71 A E H X S+ 0 0 51 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.905 112.7 48.2 -62.8 -41.6 22.8 -7.8 -23.9 77 72 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 112.2 47.8 -66.1 -43.8 25.7 -9.8 -25.2 78 73 A R H X S+ 0 0 50 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.911 114.5 48.4 -62.1 -41.6 27.2 -10.4 -21.7 79 74 A L H >X S+ 0 0 18 -4,-2.6 4,-2.1 -5,-0.2 3,-0.5 0.957 112.7 46.1 -60.3 -52.9 23.8 -11.3 -20.4 80 75 A L H 3< S+ 0 0 24 -4,-2.7 11,-0.7 1,-0.3 -1,-0.2 0.809 110.5 53.5 -63.9 -31.7 23.1 -13.8 -23.2 81 76 A K H 3< S+ 0 0 39 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.799 112.6 46.3 -71.7 -26.6 26.5 -15.3 -22.9 82 77 A H H << S+ 0 0 39 -4,-1.3 2,-0.6 -3,-0.5 233,-0.2 0.839 89.4 92.0 -82.7 -36.7 25.8 -15.9 -19.2 83 78 A M < + 0 0 2 -4,-2.1 2,-0.4 6,-0.1 8,-0.4 -0.488 41.7 162.0 -71.2 110.3 22.3 -17.4 -19.4 84 79 A K + 0 0 162 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.772 29.0 114.7-130.0 86.3 22.5 -21.2 -19.6 85 80 A H > - 0 0 19 3,-0.5 3,-1.7 -2,-0.4 5,-0.1 -0.990 69.2-119.3-156.0 140.4 19.1 -22.6 -18.7 86 81 A E T 3 S+ 0 0 131 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.718 114.1 43.6 -52.9 -27.9 16.3 -24.5 -20.4 87 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.5 54,-0.1 2,-0.4 0.142 103.2 74.0-111.3 18.7 13.7 -21.7 -19.9 88 83 A V B < S-f 171 0C 2 -3,-1.7 -3,-0.5 82,-0.3 2,-0.3 -0.998 87.6-112.3-131.0 132.6 15.9 -18.7 -20.8 89 84 A I + 0 0 16 82,-2.7 2,-0.2 -2,-0.4 -6,-0.1 -0.516 48.8 170.3 -63.4 122.8 16.9 -17.8 -24.3 90 85 A G - 0 0 15 -2,-0.3 2,-0.5 -4,-0.1 22,-0.2 -0.632 33.1 -80.5-123.9-171.6 20.7 -18.4 -24.5 91 86 A L + 0 0 18 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.819 29.2 171.7-107.2 126.9 23.3 -18.4 -27.3 92 87 A L S S- 0 0 16 18,-3.1 2,-0.3 -2,-0.5 19,-0.2 0.717 82.7 -15.0 -85.1 -31.8 24.1 -21.2 -29.8 93 88 A D E -E 110 0B 24 17,-1.3 17,-2.4 251,-0.1 -1,-0.4 -0.981 52.7-162.3-162.3 159.4 26.4 -18.8 -31.7 94 89 A V E +E 109 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.949 26.4 165.1-148.3 137.3 27.2 -15.2 -32.2 95 90 A F E -E 108 0B 13 13,-2.3 13,-2.5 -2,-0.3 245,-0.1 -0.972 26.3-156.7-150.1 164.6 29.1 -13.9 -35.2 96 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.992 22.8-138.4-141.4 142.0 30.2 -11.0 -37.3 97 92 A P S S+ 0 0 17 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.642 74.3 111.7 -69.1 -15.1 31.2 -10.9 -41.0 98 93 A A - 0 0 11 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.320 56.0-160.0 -61.7 139.6 34.0 -8.5 -39.9 99 94 A R S S+ 0 0 165 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.495 76.5 13.0 -96.3 -7.6 37.6 -9.8 -40.1 100 95 A S S > S- 0 0 37 1,-0.1 3,-0.8 0, 0.0 4,-0.2 -0.968 83.0-100.5-158.7 166.3 38.9 -7.2 -37.7 101 96 A L G > S+ 0 0 53 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.857 118.5 64.9 -59.8 -35.1 37.7 -4.6 -35.2 102 97 A E G 3 S+ 0 0 156 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.839 109.1 36.4 -58.4 -35.5 38.3 -2.0 -37.9 103 98 A E G < S+ 0 0 73 -3,-0.8 2,-0.3 2,-0.0 -1,-0.3 0.245 88.6 127.6-104.3 17.2 35.6 -3.5 -40.0 104 99 A F < + 0 0 0 -3,-1.5 3,-0.1 1,-0.2 232,-0.0 -0.579 15.3 124.9 -78.5 126.9 33.3 -4.4 -37.2 105 100 A N + 0 0 99 1,-0.4 2,-0.3 -2,-0.3 -41,-0.2 0.426 56.2 53.9-143.3 -48.2 29.7 -3.1 -37.5 106 101 A D - 0 0 42 -44,-0.1 -1,-0.4 -43,-0.1 2,-0.4 -0.725 55.0-161.9-105.2 147.2 27.0 -5.8 -37.3 107 102 A V E -D 60 0B 1 -47,-2.1 -47,-3.3 -2,-0.3 2,-0.4 -0.998 5.7-164.5-123.9 131.3 26.4 -8.4 -34.6 108 103 A Y E -DE 59 95B 2 -13,-2.5 -13,-2.3 -2,-0.4 2,-0.4 -0.953 3.0-161.4-116.3 139.0 24.3 -11.6 -35.2 109 104 A L E -DE 58 94B 9 -51,-2.7 -51,-2.9 -2,-0.4 2,-0.4 -0.902 3.4-158.4-117.7 143.1 23.0 -13.8 -32.4 110 105 A V E +DE 57 93B 1 -17,-2.4 -18,-3.1 -2,-0.4 -17,-1.3 -0.977 18.6 157.7-127.6 130.4 21.8 -17.4 -32.8 111 106 A T E -D 56 0B 19 -55,-2.4 -55,-2.9 -2,-0.4 -20,-0.1 -0.873 50.2 -70.9-137.7 173.3 19.4 -19.3 -30.5 112 107 A H E -D 55 0B 72 -2,-0.3 2,-0.4 -57,-0.2 -57,-0.3 -0.390 54.2-113.9 -63.3 140.8 17.1 -22.4 -30.8 113 108 A L + 0 0 45 -59,-2.1 -59,-0.1 1,-0.2 -1,-0.1 -0.645 35.2 177.0 -78.9 130.0 14.0 -21.7 -32.9 114 109 A M - 0 0 26 -2,-0.4 51,-0.4 50,-0.1 -1,-0.2 0.858 28.7-139.3 -98.0 -52.2 10.8 -21.8 -30.8 115 110 A G + 0 0 66 49,-0.1 2,-0.3 1,-0.1 49,-0.1 0.353 65.0 24.3 115.2 -6.1 8.2 -20.8 -33.3 116 111 A A - 0 0 27 47,-0.4 47,-2.1 4,-0.0 2,-0.3 -0.979 64.8-120.7-169.0 164.7 5.8 -18.5 -31.4 117 112 A D B >> -G 162 0C 9 -2,-0.3 4,-1.8 45,-0.3 3,-0.6 -0.811 41.9-102.9-110.7 166.4 5.4 -16.1 -28.6 118 113 A L H 3> S+ 0 0 0 43,-2.2 4,-2.7 40,-1.2 5,-0.2 0.826 119.8 62.6 -60.3 -31.8 2.9 -16.7 -25.8 119 114 A N H 3> S+ 0 0 34 39,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.947 105.1 46.1 -51.6 -52.2 0.6 -14.0 -27.3 120 115 A N H <> S+ 0 0 67 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.870 111.3 53.1 -60.4 -41.1 0.2 -16.2 -30.5 121 116 A I H X S+ 0 0 26 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.932 108.4 49.0 -59.8 -48.2 -0.4 -19.3 -28.3 122 117 A V H < S+ 0 0 25 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.874 111.1 51.0 -60.6 -37.9 -3.2 -17.6 -26.4 123 118 A K H < S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 110.3 48.6 -67.8 -34.4 -4.9 -16.4 -29.6 124 119 A C H < S+ 0 0 101 -4,-1.5 2,-0.3 -3,-0.2 -1,-0.2 0.537 120.7 10.0 -90.2 -8.2 -4.8 -19.9 -31.2 125 120 A Q < - 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