==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-JUN-10 2XHG . COMPND 2 MOLECULE: TYROCIDINE SYNTHETASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR S.-A.SAMEL,A.HEINE,M.A.MARAHIEL,L.-O.ESSEN . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 32 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 0 0 1 1 1 1 1 0 1 2 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 2 2 0 1 0 0 1 4 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 . 0 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 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 7 A K 0 0 226 0, 0.0 173,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -31.4 -20.4 -27.2 21.7 2 8 A S - 0 0 21 171,-0.3 2,-0.5 1,-0.1 171,-0.1 -0.395 360.0 -79.5 -67.5 158.7 -18.9 -23.8 22.1 3 9 A D - 0 0 87 1,-0.2 -1,-0.1 -2,-0.1 4,-0.0 -0.472 45.3-178.3 -66.2 112.3 -18.1 -22.7 25.7 4 10 A Q + 0 0 82 -2,-0.5 -1,-0.2 -3,-0.1 3,-0.1 0.444 53.9 93.3 -90.0 -1.7 -21.4 -21.6 27.4 5 11 A G S S- 0 0 33 1,-0.2 2,-0.2 168,-0.0 -2,-0.0 -0.141 92.2 -64.7 -86.7-180.0 -19.7 -20.7 30.7 6 12 A I - 0 0 105 1,-0.0 2,-0.5 54,-0.0 -1,-0.2 -0.476 47.8-147.4 -64.5 131.0 -18.3 -17.5 32.0 7 13 A I + 0 0 5 -2,-0.2 2,-0.3 71,-0.1 -1,-0.0 -0.913 31.9 151.1-102.1 128.0 -15.3 -16.3 30.0 8 14 A A + 0 0 47 -2,-0.5 70,-0.2 2,-0.1 2,-0.2 -0.988 19.6 56.6-151.1 160.9 -12.6 -14.4 32.0 9 15 A G E S-A 77 0A 19 68,-2.5 68,-3.3 -2,-0.3 -2,-0.0 -0.535 83.3 -21.0 112.7-177.1 -8.9 -13.7 32.1 10 16 A N E -A 76 0A 99 66,-0.3 66,-0.3 -2,-0.2 -2,-0.1 -0.272 50.9-161.7 -70.1 152.4 -6.3 -12.3 29.9 11 17 A V - 0 0 6 64,-2.6 64,-0.4 170,-0.1 167,-0.1 -0.993 21.0-120.9-133.8 122.1 -6.8 -12.1 26.1 12 18 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 169,-0.1 -0.292 38.0-102.6 -58.4 148.3 -3.9 -11.5 23.6 13 19 A L - 0 0 26 60,-0.1 60,-0.0 4,-0.1 61,-0.0 -0.588 34.5-138.4 -72.6 131.5 -4.3 -8.4 21.4 14 20 A T > - 0 0 7 -2,-0.3 4,-2.3 284,-0.1 3,-0.3 -0.402 33.0 -91.7 -80.8 171.6 -5.5 -9.2 17.9 15 21 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 125.5 45.7 -56.1 -48.6 -3.9 -7.4 14.9 16 22 A I H > S+ 0 0 7 284,-0.3 4,-2.2 1,-0.2 5,-0.1 0.843 112.8 52.9 -66.7 -29.0 -6.4 -4.5 14.7 17 23 A Q H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.886 108.6 48.8 -70.4 -38.6 -6.1 -4.1 18.4 18 24 A K H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.907 110.5 52.5 -64.4 -42.5 -2.3 -3.9 18.2 19 25 A W H X S+ 0 0 41 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.932 108.7 51.4 -51.5 -52.0 -2.8 -1.4 15.4 20 26 A F H ><>S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 5,-0.5 0.935 112.6 41.9 -57.6 -51.1 -5.0 0.7 17.6 21 27 A F H ><5S+ 0 0 32 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.868 108.1 62.5 -68.4 -31.6 -2.6 0.8 20.6 22 28 A G H 3<5S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.728 96.1 59.9 -61.9 -24.9 0.3 1.5 18.2 23 29 A K T <<5S- 0 0 90 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.712 90.4-152.1 -75.0 -22.4 -1.4 4.7 17.1 24 30 A N T < 5 - 0 0 132 -3,-1.3 -3,-0.1 -4,-0.5 -2,-0.1 0.926 22.2-155.8 47.1 52.7 -1.2 6.1 20.7 25 31 A F > < - 0 0 5 -5,-0.5 3,-0.9 1,-0.1 -1,-0.1 -0.269 18.0-109.2 -60.1 139.1 -4.3 8.2 20.0 26 32 A T T 3 S+ 0 0 51 1,-0.3 370,-0.2 372,-0.3 4,-0.1 -0.463 109.1 13.6 -58.5 136.6 -4.9 11.3 22.0 27 33 A N T > S- 0 0 90 -2,-0.1 3,-2.7 1,-0.1 369,-0.3 0.938 80.7-179.3 54.5 51.3 -8.0 10.6 24.3 28 34 A T T < S+ 0 0 20 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.742 73.3 64.8 -57.2 -28.0 -7.6 6.8 23.5 29 35 A G T 3 S+ 0 0 22 1,-0.2 2,-0.7 -4,-0.1 -1,-0.3 0.578 91.5 67.3 -71.0 -11.4 -10.6 6.1 25.7 30 36 A H < + 0 0 18 -3,-2.7 366,-1.6 -4,-0.1 -1,-0.2 -0.808 65.3 109.1-110.6 84.1 -12.9 8.1 23.3 31 37 A W B +C 395 0B 7 -2,-0.7 109,-2.7 364,-0.2 110,-0.4 -0.589 51.8 141.8-160.3 80.0 -12.8 5.9 20.2 32 38 A N E -D 139 0C 3 362,-2.8 2,-0.3 107,-0.3 107,-0.2 -0.522 48.8-131.2-123.4 174.0 -16.2 4.3 20.0 33 39 A Q E +D 138 0C 19 105,-2.3 105,-2.5 -2,-0.2 2,-0.3 -0.939 35.1 173.5-124.4 158.0 -19.2 3.1 18.0 34 40 A S E -D 137 0C 0 352,-1.4 2,-0.3 -2,-0.3 103,-0.2 -0.970 17.9-170.5-158.1 166.5 -22.7 4.1 18.9 35 41 A S E -D 136 0C 5 101,-2.2 101,-2.6 -2,-0.3 2,-0.4 -0.983 14.8-144.6-157.6 157.4 -26.4 4.0 18.1 36 42 A V E -D 135 0C 0 349,-0.4 343,-2.7 -2,-0.3 2,-0.3 -0.997 18.9-161.9-128.8 126.0 -29.7 5.5 19.2 37 43 A L E -DE 134 378C 0 97,-3.0 97,-2.8 -2,-0.4 2,-0.4 -0.786 4.9-148.6-106.1 149.8 -32.9 3.4 19.0 38 44 A Y E -DE 133 377C 49 339,-3.1 339,-2.2 -2,-0.3 95,-0.2 -0.978 13.6-178.4-124.2 133.5 -36.4 4.7 19.0 39 45 A R E > -D 132 0C 26 93,-2.3 93,-2.3 -2,-0.4 3,-1.4 -0.963 14.3-158.9-128.5 109.9 -39.6 3.0 20.4 40 46 A P T 3 S+ 0 0 77 0, 0.0 91,-0.2 0, 0.0 -1,-0.1 0.831 94.4 54.6 -60.3 -30.4 -42.8 5.0 20.0 41 47 A E T 3 S- 0 0 131 1,-0.2 90,-0.1 334,-0.2 2,-0.1 0.693 117.8-113.0 -69.4 -21.0 -44.5 3.0 22.8 42 48 A G < - 0 0 14 -3,-1.4 2,-0.3 90,-0.2 -1,-0.2 -0.136 22.6 -99.8 98.6 157.0 -41.6 3.9 25.2 43 49 A F - 0 0 6 -2,-0.1 90,-0.1 -3,-0.1 3,-0.1 -0.851 24.5-131.1-108.4 151.3 -38.9 1.8 26.8 44 50 A D > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.905 7.7-148.5-102.4 121.5 -39.0 0.6 30.4 45 51 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.861 98.1 53.0 -58.8 -35.0 -35.8 1.3 32.3 46 52 A K H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.929 111.4 44.7 -66.9 -43.8 -36.2 -1.8 34.4 47 53 A V H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.915 111.7 54.0 -63.9 -43.5 -36.6 -4.1 31.4 48 54 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.933 110.2 47.0 -56.9 -45.0 -33.7 -2.4 29.7 49 55 A Q H X S+ 0 0 72 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.928 111.5 50.5 -65.2 -42.0 -31.5 -3.1 32.7 50 56 A S H X S+ 0 0 58 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.931 115.2 42.9 -59.4 -45.3 -32.6 -6.7 32.9 51 57 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.925 114.3 49.2 -70.7 -43.9 -31.9 -7.3 29.2 52 58 A M H X S+ 0 0 10 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.867 107.2 56.8 -63.8 -36.1 -28.6 -5.5 29.2 53 59 A D H X S+ 0 0 63 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.955 111.5 42.6 -55.3 -50.1 -27.5 -7.4 32.3 54 60 A K H X S+ 0 0 96 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.899 112.3 53.9 -65.8 -40.6 -28.1 -10.6 30.3 55 61 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.917 112.4 42.6 -60.2 -43.3 -26.5 -9.3 27.1 56 62 A I H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 113.5 51.4 -81.7 -28.5 -23.3 -8.3 28.9 57 63 A E H < S+ 0 0 68 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.888 117.7 41.6 -61.8 -40.6 -23.1 -11.5 30.9 58 64 A H H < S+ 0 0 32 -4,-2.3 2,-1.1 1,-0.2 -2,-0.2 0.837 109.8 54.2 -77.9 -40.0 -23.6 -13.5 27.6 59 65 A H S >< S- 0 0 9 -4,-2.6 3,-2.1 -5,-0.2 -1,-0.2 -0.713 74.8-171.9-103.6 84.4 -21.3 -11.5 25.3 60 66 A D G > S+ 0 0 13 -2,-1.1 3,-2.2 1,-0.3 -1,-0.2 0.713 70.9 66.9 -58.3 -35.9 -18.2 -11.8 27.4 61 67 A A G > S+ 0 0 5 235,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.740 85.9 73.0 -62.0 -21.2 -15.9 -9.4 25.5 62 68 A L G < S+ 0 0 2 -3,-2.1 58,-0.6 1,-0.3 -1,-0.3 0.670 90.6 60.9 -65.1 -15.1 -18.0 -6.5 26.4 63 69 A R G < S+ 0 0 0 -3,-2.2 15,-1.5 -4,-0.2 -1,-0.3 0.248 80.7 130.5 -93.2 12.4 -16.6 -6.9 30.0 64 70 A M E < -B 77 0A 1 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.269 35.6-170.8 -66.4 149.9 -13.0 -6.3 28.8 65 71 A V E -B 76 0A 9 11,-2.3 11,-2.8 53,-0.1 2,-0.4 -0.927 8.4-146.9-133.5 163.5 -10.7 -3.8 30.4 66 72 A Y E -B 75 0A 0 49,-2.8 2,-0.3 -2,-0.3 9,-0.2 -0.991 7.8-164.9-136.8 124.2 -7.2 -2.6 29.3 67 73 A Q E +B 74 0A 66 7,-2.3 7,-2.2 -2,-0.4 -2,-0.0 -0.854 16.7 164.0 -97.0 143.4 -4.1 -1.5 31.2 68 74 A H > + 0 0 58 -2,-0.3 3,-2.1 5,-0.2 5,-0.2 0.180 10.3 154.2-146.1 27.3 -1.4 0.4 29.1 69 75 A E G > S- 0 0 136 3,-0.4 3,-2.0 1,-0.3 -2,-0.0 -0.353 82.5 -3.5 -66.1 132.5 1.0 2.1 31.5 70 76 A N G 3 S- 0 0 163 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.694 131.6 -62.4 56.8 23.6 4.4 2.7 29.9 71 77 A G G < S+ 0 0 61 -3,-2.1 2,-1.2 1,-0.2 -1,-0.3 0.579 101.0 133.4 81.2 10.7 3.1 0.9 26.8 72 78 A N < - 0 0 120 -3,-2.0 -3,-0.4 2,-0.0 2,-0.3 -0.679 41.2-165.6 -90.6 80.1 2.5 -2.4 28.6 73 79 A V - 0 0 36 -2,-1.2 2,-0.5 -5,-0.2 -5,-0.2 -0.540 10.3-176.1 -78.9 125.0 -1.0 -3.2 27.3 74 80 A V E - B 0 67A 58 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.6 -0.974 9.3-160.2-121.4 116.8 -2.9 -5.9 29.2 75 81 A Q E - B 0 66A 5 -2,-0.5 -64,-2.6 -64,-0.4 2,-0.4 -0.844 16.7-178.7 -98.0 121.3 -6.3 -6.9 27.8 76 82 A H E -AB 10 65A 66 -11,-2.8 -11,-2.3 -2,-0.6 2,-0.8 -0.986 24.8-142.9-130.8 126.9 -8.4 -8.7 30.5 77 83 A N E -AB 9 64A 1 -68,-3.3 -68,-2.5 -2,-0.4 -13,-0.2 -0.778 26.9-141.2 -87.8 109.3 -11.8 -10.1 30.2 78 84 A R - 0 0 37 -15,-1.5 -15,-0.2 -2,-0.8 -71,-0.1 -0.378 9.5-133.8 -64.0 152.1 -13.6 -9.5 33.6 79 85 A G - 0 0 29 1,-0.2 3,-0.3 -73,-0.1 2,-0.1 0.144 42.5 -66.7 -79.0-154.2 -15.8 -12.1 35.1 80 86 A L S S+ 0 0 72 1,-0.2 -1,-0.2 -23,-0.0 3,-0.1 -0.421 99.7 60.6 -94.1 170.6 -19.2 -11.3 36.5 81 87 A G S S+ 0 0 81 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.083 83.3 88.0 106.2 -22.1 -20.2 -9.3 39.5 82 88 A G S S- 0 0 48 -3,-0.3 2,-0.7 1,-0.1 -1,-0.3 0.026 96.7 -50.7 -92.4-160.3 -18.8 -5.8 38.6 83 89 A Q - 0 0 111 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.688 50.3-176.2 -78.9 112.4 -20.2 -2.9 36.7 84 90 A L - 0 0 19 -2,-0.7 2,-0.3 1,-0.3 36,-0.2 0.789 65.8 -20.0 -82.6 -29.9 -21.5 -4.3 33.5 85 91 A Y - 0 0 15 34,-0.1 2,-0.5 35,-0.1 -1,-0.3 -0.948 67.2-105.7-165.9 160.5 -22.5 -1.0 31.9 86 92 A D E -f 122 0C 31 35,-2.1 37,-2.8 -2,-0.3 2,-0.4 -0.903 38.8-163.0 -97.8 129.3 -23.2 2.6 33.0 87 93 A F E +f 123 0C 42 -2,-0.5 2,-0.3 35,-0.2 37,-0.2 -0.956 13.2 175.2-122.2 132.9 -26.9 3.3 32.8 88 94 A F E -f 124 0C 64 35,-1.9 37,-2.9 -2,-0.4 2,-0.4 -0.984 9.6-164.8-133.3 143.4 -28.7 6.6 32.8 89 95 A S E -f 125 0C 52 -2,-0.3 2,-0.4 35,-0.2 37,-0.2 -0.998 8.4-168.4-131.7 133.9 -32.4 7.5 32.4 90 96 A Y E -f 126 0C 65 35,-2.6 37,-3.0 -2,-0.4 2,-0.9 -0.972 19.9-143.8-128.7 134.0 -33.7 11.0 31.7 91 97 A N E +f 127 0C 113 -2,-0.4 3,-0.3 35,-0.2 37,-0.1 -0.857 27.3 166.3 -93.7 104.8 -37.2 12.4 31.7 92 98 A L > + 0 0 8 35,-2.8 3,-1.8 -2,-0.9 37,-0.2 0.238 38.5 114.5-102.3 15.4 -37.2 14.9 28.8 93 99 A T T 3 S+ 0 0 58 1,-0.3 -1,-0.2 34,-0.2 36,-0.1 0.712 78.6 46.6 -63.7 -23.7 -41.0 15.4 28.8 94 100 A A T 3 S+ 0 0 95 -3,-0.3 -1,-0.3 34,-0.0 -2,-0.1 0.543 90.8 107.3 -89.8 -7.8 -40.8 19.1 29.8 95 101 A Q < - 0 0 90 -3,-1.8 3,-0.4 1,-0.1 -3,-0.0 -0.588 52.6-161.3 -87.5 129.8 -38.0 20.0 27.3 96 102 A P S S+ 0 0 137 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.812 91.0 43.9 -67.5 -31.0 -38.6 22.1 24.2 97 103 A D > + 0 0 73 1,-0.2 4,-1.7 2,-0.1 3,-0.2 -0.688 59.9 162.7-123.1 78.3 -35.4 20.9 22.5 98 104 A V H > S+ 0 0 23 -2,-0.5 4,-2.5 -3,-0.4 5,-0.2 0.871 76.3 60.3 -62.4 -39.0 -35.1 17.1 23.0 99 105 A Q H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 104.2 49.1 -57.5 -45.0 -32.5 16.9 20.2 100 106 A Q H > S+ 0 0 131 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 110.8 50.1 -60.3 -45.3 -30.1 19.3 22.1 101 107 A A H X S+ 0 0 18 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.929 112.7 47.1 -59.8 -43.9 -30.5 17.3 25.3 102 108 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.916 112.7 47.6 -68.2 -44.3 -29.7 14.0 23.6 103 109 A E H X S+ 0 0 47 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.955 113.0 49.1 -65.7 -42.8 -26.7 15.3 21.7 104 110 A A H X S+ 0 0 58 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.924 116.3 41.5 -59.4 -44.9 -25.2 16.9 24.8 105 111 A E H X S+ 0 0 24 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.899 112.4 52.1 -76.0 -39.4 -25.6 13.8 26.9 106 112 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.912 111.9 48.9 -62.3 -37.7 -24.5 11.3 24.3 107 113 A Q H X S+ 0 0 80 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.919 110.6 50.5 -67.4 -42.0 -21.4 13.4 23.8 108 114 A R H < S+ 0 0 128 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.941 113.5 45.0 -57.7 -45.9 -20.8 13.5 27.6 109 115 A L H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.898 107.0 58.5 -69.3 -39.7 -21.1 9.8 27.9 110 116 A H H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.828 107.1 49.4 -53.8 -34.9 -18.9 9.1 24.8 111 117 A S T 3< S+ 0 0 78 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.328 98.0 73.5 -87.3 6.5 -16.1 11.0 26.6 112 118 A S T < + 0 0 43 -3,-2.0 2,-0.2 -5,-0.1 -1,-0.2 0.195 57.7 134.3-110.5 13.2 -16.5 9.0 29.9 113 119 A M < - 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