==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-FEB-11 3QN6 . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.R.GRISWOLD . 395 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.3 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 0 0 0 1 2 0 4 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 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 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 13 A M 0 0 191 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 3.4 -29.4 41.7 -35.3 2 14 A F > + 0 0 156 1,-0.1 3,-1.1 2,-0.1 0, 0.0 0.484 360.0 93.0-103.7 -5.3 -27.4 39.2 -33.1 3 15 A E T 3 S+ 0 0 166 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.777 88.4 42.4 -64.7 -26.0 -24.0 40.7 -33.7 4 16 A N T 3 S+ 0 0 151 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.497 81.0 131.7 -97.4 -3.8 -24.0 43.0 -30.7 5 17 A I < - 0 0 122 -3,-1.1 2,-0.4 1,-0.1 -3,-0.1 -0.212 53.3-133.2 -60.0 132.7 -25.5 40.7 -28.1 6 18 A T - 0 0 127 1,-0.1 -1,-0.1 3,-0.0 -2,-0.1 -0.692 27.1-108.8 -82.6 134.7 -23.6 40.4 -24.8 7 19 A A - 0 0 87 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.308 37.5-104.6 -60.6 141.6 -22.9 36.9 -23.5 8 20 A A - 0 0 85 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.358 49.7 -86.2 -58.7 148.3 -25.0 35.9 -20.4 9 21 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.392 52.7-104.9 -57.2 131.0 -23.0 35.9 -17.2 10 22 A A - 0 0 95 1,-0.1 3,-0.0 -3,-0.1 -3,-0.0 -0.358 37.7-114.3 -58.7 134.0 -21.3 32.5 -16.9 11 23 A D > - 0 0 91 1,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.617 17.2-149.9 -78.8 120.3 -23.2 30.5 -14.3 12 24 A P H > S+ 0 0 103 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.872 94.1 52.5 -61.2 -34.6 -20.9 29.9 -11.2 13 25 A I H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.951 110.9 43.0 -65.4 -53.4 -22.7 26.6 -10.5 14 26 A L H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.838 109.9 58.6 -65.8 -30.9 -22.4 25.0 -13.9 15 27 A G H X S+ 0 0 34 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.885 105.9 50.0 -62.6 -37.8 -18.8 26.2 -14.2 16 28 A L H X S+ 0 0 41 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.919 107.0 53.7 -64.1 -45.8 -18.0 24.2 -11.0 17 29 A A H X S+ 0 0 45 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.915 108.7 49.8 -57.4 -43.1 -19.7 21.1 -12.5 18 30 A D H X S+ 0 0 102 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.927 110.2 49.8 -61.0 -45.0 -17.5 21.3 -15.6 19 31 A L H X S+ 0 0 77 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.884 109.0 52.9 -61.3 -39.7 -14.4 21.7 -13.4 20 32 A F H < S+ 0 0 44 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.963 108.4 49.8 -62.4 -50.3 -15.4 18.7 -11.4 21 33 A R H < S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.946 113.8 44.9 -50.3 -56.2 -15.8 16.5 -14.5 22 34 A A H < S+ 0 0 80 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.910 86.2 105.6 -57.5 -48.1 -12.4 17.5 -15.9 23 35 A D < - 0 0 21 -4,-2.6 5,-0.1 -5,-0.2 -3,-0.0 -0.035 52.6-167.7 -38.4 123.3 -10.7 17.0 -12.5 24 36 A E + 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.389 44.8 119.9-105.3 1.9 -8.7 13.7 -12.9 25 37 A R > - 0 0 90 1,-0.1 3,-0.8 2,-0.1 340,-0.0 -0.491 59.0-141.5 -69.4 137.6 -7.9 13.3 -9.2 26 38 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 340,-0.0 0.892 92.8 54.8 -66.9 -46.8 -9.3 10.0 -7.8 27 39 A G T 3 S+ 0 0 60 2,-0.0 -2,-0.1 360,-0.0 338,-0.0 0.179 77.9 142.2 -80.3 20.6 -10.4 11.1 -4.3 28 40 A K < - 0 0 60 -3,-0.8 2,-0.4 339,-0.1 339,-0.2 -0.264 31.3-165.2 -70.0 146.9 -12.5 13.9 -5.6 29 41 A I E -a 367 0A 11 337,-2.5 339,-3.2 336,-0.1 2,-0.7 -0.995 9.8-152.0-136.6 125.4 -15.9 14.7 -3.8 30 42 A N E +a 368 0A 38 -2,-0.4 3,-0.2 337,-0.2 339,-0.1 -0.871 28.4 156.4 -98.9 103.6 -18.7 16.9 -5.2 31 43 A L + 0 0 1 337,-2.9 345,-1.9 -2,-0.7 339,-0.3 0.252 63.4 81.8-100.2 10.2 -20.8 18.5 -2.4 32 44 A G + 0 0 18 336,-0.3 -1,-0.1 337,-0.2 337,-0.1 0.565 63.6 118.5 -91.3 -8.5 -21.9 21.2 -4.8 33 45 A I - 0 0 29 -3,-0.2 346,-0.1 335,-0.2 345,-0.1 -0.092 55.2-151.0 -54.3 150.7 -24.7 19.1 -6.4 34 46 A G + 0 0 41 2,-0.1 2,-0.3 342,-0.0 -1,-0.1 0.239 69.8 69.3-111.1 18.0 -28.3 20.3 -6.0 35 47 A V S S- 0 0 40 312,-0.1 2,-0.1 341,-0.0 343,-0.1 -0.824 89.7 -84.8-128.3 166.2 -30.0 16.9 -6.1 36 48 A Y - 0 0 16 -2,-0.3 2,-0.4 8,-0.1 -2,-0.1 -0.473 37.9-168.8 -67.6 141.0 -30.3 13.8 -3.8 37 49 A K - 0 0 51 -2,-0.1 6,-0.2 6,-0.1 343,-0.1 -0.982 12.4-139.8-126.9 141.7 -27.6 11.1 -4.0 38 50 A D > - 0 0 23 4,-2.8 3,-2.2 -2,-0.4 276,-0.0 -0.160 43.1 -78.7 -92.8-169.6 -27.9 7.7 -2.3 39 51 A E T 3 S+ 0 0 115 1,-0.3 344,-0.2 2,-0.1 -1,-0.0 0.703 131.7 53.5 -71.9 -16.6 -25.2 5.9 -0.5 40 52 A T T 3 S- 0 0 95 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.320 120.5-107.7 -92.5 3.9 -23.6 4.7 -3.8 41 53 A G S < S+ 0 0 39 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.720 79.9 126.2 79.6 18.7 -23.4 8.3 -5.0 42 54 A K - 0 0 140 0, 0.0 -4,-2.8 0, 0.0 -1,-0.3 -0.737 59.9-141.3-108.3 160.9 -26.2 7.8 -7.5 43 55 A T - 0 0 46 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.0 -0.847 39.7-168.7-115.9 85.0 -29.5 9.7 -8.1 44 56 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.245 29.0-104.6 -79.2 163.3 -31.6 6.6 -8.9 45 57 A V - 0 0 71 1,-0.1 204,-0.1 205,-0.1 205,-0.1 -0.772 49.7-108.9 -78.6 133.8 -35.1 6.5 -10.4 46 58 A L > - 0 0 12 -2,-0.5 4,-2.5 202,-0.5 5,-0.2 -0.297 16.4-127.1 -62.9 150.1 -37.4 5.6 -7.4 47 59 A T H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 111.9 53.6 -61.5 -44.3 -38.9 2.1 -7.4 48 60 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 108.9 50.8 -58.2 -39.9 -42.4 3.5 -7.0 49 61 A V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 108.8 49.7 -64.5 -47.7 -41.7 5.7 -10.1 50 62 A K H X S+ 0 0 124 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.896 111.7 49.8 -54.9 -42.1 -40.5 2.7 -12.2 51 63 A K H X S+ 0 0 106 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.944 112.0 47.7 -65.0 -40.3 -43.6 0.7 -11.2 52 64 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.899 110.1 52.1 -65.7 -40.7 -45.8 3.6 -12.1 53 65 A E H X S+ 0 0 44 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.863 107.9 51.9 -64.8 -36.0 -44.0 4.1 -15.5 54 66 A Q H X S+ 0 0 121 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.920 109.6 49.8 -64.6 -41.5 -44.5 0.4 -16.3 55 67 A Y H X S+ 0 0 127 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.922 111.4 48.5 -62.6 -45.1 -48.3 0.8 -15.6 56 68 A L H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.894 109.0 53.6 -60.7 -39.3 -48.4 3.9 -17.8 57 69 A L H < S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.888 114.1 42.3 -62.4 -39.4 -46.6 2.0 -20.6 58 70 A E H < S+ 0 0 124 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.780 125.7 30.9 -75.8 -27.9 -49.2 -0.7 -20.4 59 71 A N H < S+ 0 0 77 -4,-1.9 2,-0.2 -5,-0.1 -3,-0.2 0.691 84.6 103.0-113.3 -23.2 -52.3 1.5 -20.1 60 72 A E < + 0 0 67 -4,-2.4 3,-0.1 -5,-0.2 -4,-0.0 -0.438 34.6 174.5 -65.6 132.4 -51.9 4.8 -21.9 61 73 A T + 0 0 140 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.375 62.4 25.5-121.1 3.2 -53.7 4.8 -25.2 62 74 A T - 0 0 99 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.985 46.4-155.2-157.5 153.9 -53.1 8.5 -26.2 63 75 A K + 0 0 166 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.034 46.5 151.8-111.7 25.4 -50.7 11.4 -25.8 64 76 A N - 0 0 122 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.199 57.7 -78.1 -55.6 146.5 -53.5 13.9 -26.6 65 77 A Y - 0 0 187 1,-0.1 -1,-0.1 220,-0.0 2,-0.1 -0.016 41.6-131.4 -48.6 139.1 -53.0 17.3 -24.9 66 78 A L - 0 0 44 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.429 38.9 -86.1 -73.6 164.5 -53.8 17.8 -21.3 67 79 A G > - 0 0 43 3,-0.3 3,-1.9 -2,-0.1 -1,-0.2 -0.227 48.4 -96.6 -59.4 162.4 -55.9 20.8 -20.3 68 80 A I T 3 S+ 0 0 49 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.862 128.5 45.6 -53.8 -39.3 -53.9 24.0 -19.6 69 81 A D T 3 S- 0 0 44 1,-0.3 30,-2.3 29,-0.1 -1,-0.3 0.368 110.3-134.8 -91.7 4.3 -53.9 23.2 -15.9 70 82 A G < + 0 0 5 -3,-1.9 -3,-0.3 28,-0.2 -1,-0.3 -0.326 55.2 2.7 87.6-158.1 -52.9 19.6 -16.4 71 83 A I > - 0 0 31 1,-0.1 4,-1.8 -5,-0.1 3,-0.4 -0.518 57.7-145.9 -75.4 121.1 -54.2 16.3 -14.9 72 84 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.901 98.7 51.6 -54.6 -44.1 -57.2 16.9 -12.5 73 85 A E H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 107.0 55.2 -60.1 -37.8 -56.2 14.0 -10.1 74 86 A F H > S+ 0 0 1 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.924 108.0 48.4 -58.8 -43.2 -52.7 15.5 -9.9 75 87 A G H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 112.6 48.1 -65.7 -42.1 -54.2 18.9 -8.8 76 88 A R H X S+ 0 0 142 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.942 112.4 48.1 -64.9 -43.6 -56.4 17.2 -6.2 77 89 A C H X S+ 0 0 8 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.878 111.3 52.3 -61.9 -41.0 -53.5 15.1 -4.8 78 90 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.926 108.4 48.8 -60.0 -50.5 -51.3 18.3 -4.7 79 91 A Q H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.868 110.2 52.6 -62.2 -32.7 -53.9 20.3 -2.7 80 92 A E H X S+ 0 0 75 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.923 110.5 46.9 -70.1 -39.6 -54.3 17.5 -0.2 81 93 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 118.5 42.3 -63.3 -42.4 -50.5 17.3 0.3 82 94 A L H < S+ 0 0 2 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.933 131.9 17.7 -68.7 -49.5 -50.3 21.1 0.7 83 95 A F H < S- 0 0 11 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.588 106.5-111.7-107.2 -14.5 -53.4 21.8 2.9 84 96 A G >< - 0 0 6 -4,-2.0 3,-2.0 -5,-0.4 6,-0.2 0.256 39.9 -66.4 91.2 143.6 -54.3 18.4 4.4 85 97 A K T 3 S+ 0 0 175 1,-0.3 -5,-0.0 -5,-0.1 0, 0.0 -0.393 125.2 21.7 -57.1 135.6 -57.3 16.1 3.9 86 98 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -2,-0.0 -2,-0.1 0.433 85.8 158.6 84.3 -2.4 -60.4 17.9 5.1 87 99 A S <> - 0 0 24 -3,-2.0 4,-2.5 1,-0.2 3,-0.3 -0.247 47.0-132.3 -53.0 142.0 -58.9 21.3 4.9 88 100 A A H > S+ 0 0 54 1,-0.2 4,-3.1 2,-0.2 6,-0.2 0.818 106.2 63.8 -64.7 -32.2 -61.5 24.1 4.7 89 101 A L H 4>S+ 0 0 9 2,-0.2 5,-2.5 1,-0.2 6,-0.5 0.902 109.1 40.2 -58.7 -40.3 -59.7 25.6 1.8 90 102 A I H >45S+ 0 0 51 -3,-0.3 3,-1.8 -6,-0.2 -2,-0.2 0.950 116.0 48.7 -74.5 -48.5 -60.4 22.4 -0.2 91 103 A N H 3<5S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.873 113.2 48.0 -57.1 -38.0 -64.0 22.0 1.1 92 104 A D T 3<5S- 0 0 96 -4,-3.1 173,-0.4 -5,-0.2 -1,-0.3 0.339 109.3-125.6 -87.0 5.6 -64.7 25.7 0.3 93 105 A K T < 5 + 0 0 148 -3,-1.8 -3,-0.2 -5,-0.1 175,-0.1 0.871 64.1 141.5 53.3 43.0 -63.2 25.3 -3.2 94 106 A R < + 0 0 35 -5,-2.5 168,-2.1 -6,-0.2 2,-0.4 0.458 49.3 69.8 -93.2 -3.6 -60.9 28.2 -2.5 95 107 A A E -B 261 0B 7 -6,-0.5 2,-0.4 166,-0.2 166,-0.2 -0.937 53.1-174.2-124.2 142.2 -57.9 26.7 -4.3 96 108 A R E -B 260 0B 69 164,-2.3 164,-3.0 -2,-0.4 2,-0.4 -0.995 12.1-158.4-132.9 136.9 -57.0 26.1 -7.9 97 109 A T E -B 259 0B 11 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.961 7.6-162.5-123.1 131.8 -53.9 24.2 -9.0 98 110 A A E -B 258 0B 0 160,-2.9 160,-2.8 -2,-0.4 2,-0.2 -0.968 23.3-132.1-107.3 123.3 -52.1 24.2 -12.4 99 111 A Q E -B 257 0B 0 -30,-2.3 158,-0.3 -2,-0.5 156,-0.1 -0.584 38.4-175.2 -60.7 135.0 -49.7 21.4 -13.0 100 112 A T E -B 256 0B 0 156,-2.3 156,-2.0 -2,-0.2 2,-1.7 -0.876 39.0 -86.8-135.3 166.4 -46.5 23.2 -14.3 101 113 A P S > S- 0 0 31 0, 0.0 4,-1.2 0, 0.0 154,-0.3 -0.551 96.3 -43.5 -75.5 83.1 -43.0 22.2 -15.7 102 114 A G H > S- 0 0 0 -2,-1.7 4,-1.8 152,-0.4 154,-0.4 0.061 78.1 -72.7 82.3 167.1 -41.3 22.0 -12.3 103 115 A G H > S+ 0 0 10 152,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.826 134.9 59.3 -59.9 -31.4 -41.5 24.3 -9.3 104 116 A T H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 104.5 49.0 -65.9 -43.8 -39.4 26.8 -11.4 105 117 A G H X S+ 0 0 12 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.895 109.8 52.3 -59.7 -38.8 -42.2 26.8 -14.0 106 118 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.886 107.6 51.2 -65.7 -38.1 -44.7 27.4 -11.2 107 119 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.894 111.9 47.5 -64.3 -39.8 -42.7 30.4 -9.9 108 120 A R H X S+ 0 0 88 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.917 111.5 49.5 -68.6 -43.5 -42.6 31.9 -13.5 109 121 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.939 112.5 48.5 -59.9 -44.8 -46.3 31.3 -14.0 110 122 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.937 112.9 48.2 -58.1 -45.9 -47.0 32.9 -10.6 111 123 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.932 113.8 45.1 -62.4 -49.1 -44.8 35.9 -11.5 112 124 A D H X S+ 0 0 39 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.910 113.2 52.0 -59.9 -43.0 -46.3 36.4 -15.0 113 125 A F H X S+ 0 0 14 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.933 114.7 41.6 -57.2 -48.3 -49.8 36.0 -13.4 114 126 A L H X S+ 0 0 3 -4,-2.7 4,-1.6 -5,-0.2 6,-0.4 0.902 113.5 52.1 -70.7 -39.9 -49.0 38.7 -10.8 115 127 A A H < S+ 0 0 40 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.924 118.5 36.6 -62.8 -39.8 -47.2 41.1 -13.1 116 128 A K H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.580 127.3 30.8 -92.7 -13.1 -50.1 41.1 -15.6 117 129 A N H < S+ 0 0 62 -4,-1.3 2,-0.2 -3,-0.2 -3,-0.2 0.461 114.1 40.3-129.1 -2.1 -53.1 41.0 -13.4 118 130 A T S < S- 0 0 59 -4,-1.6 0, 0.0 2,-0.1 0, 0.0 -0.822 81.7-105.6-138.6 175.6 -52.3 42.8 -10.1 119 131 A S + 0 0 91 -2,-0.2 -4,-0.1 -3,-0.0 -5,-0.1 0.358 68.1 139.8 -85.3 6.1 -50.5 45.9 -8.9 120 132 A V + 0 0 13 -6,-0.4 -2,-0.1 1,-0.2 53,-0.1 -0.252 15.3 159.5 -58.7 133.0 -47.6 43.8 -7.6 121 133 A K + 0 0 122 1,-0.3 22,-2.3 51,-0.2 2,-0.3 0.568 57.1 40.7-123.3 -13.6 -44.2 45.4 -8.3 122 134 A R E -c 143 0B 47 50,-0.2 52,-2.4 20,-0.2 2,-0.4 -0.995 52.7-159.8-151.0 138.5 -41.9 43.7 -5.8 123 135 A V E -cd 144 174B 0 20,-2.6 22,-2.3 -2,-0.3 2,-0.5 -0.988 16.3-145.0-121.2 130.0 -41.1 40.3 -4.3 124 136 A W E +cd 145 175B 5 50,-2.9 52,-2.9 -2,-0.4 2,-0.3 -0.831 22.5 177.7 -94.2 129.6 -39.1 40.0 -1.0 125 137 A V E -c 146 0B 7 20,-2.4 22,-2.1 -2,-0.5 4,-0.1 -0.911 32.3 -94.2-128.9 155.6 -36.8 36.9 -0.7 126 138 A S E -c 147 0B 0 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.296 41.4-100.6 -69.2 148.3 -34.4 35.8 2.1 127 139 A N E S+c 148 0B 86 20,-2.4 23,-0.9 1,-0.2 22,-0.6 -0.950 115.8 28.6-101.4 110.1 -30.8 36.7 2.2 128 140 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.605 91.0 146.3 -86.5 161.0 -29.5 34.2 1.2 129 141 A S - 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