==== 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 AMINOTRANSFERASE 27-AUG-93 1ASD . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.SCHUMACHER,D.RINGE . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.6 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 . 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 . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.6 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 1 0 1 1 0 3 0 1 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 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 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 . 2 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 0 195 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.3 -116.3 14.8 92.4 2 14 A F > + 0 0 164 1,-0.1 3,-1.1 2,-0.1 0, 0.0 0.304 360.0 102.2-109.9 9.7 -118.3 16.9 89.9 3 15 A E T 3 S+ 0 0 163 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.686 88.9 38.5 -69.3 -24.6 -116.7 20.4 89.9 4 16 A N T 3 S+ 0 0 161 -3,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.199 79.7 122.9-112.2 6.0 -114.7 19.9 86.6 5 17 A I < - 0 0 119 -3,-1.1 2,-0.2 3,-0.0 3,-0.1 -0.660 52.5-151.5 -74.2 113.3 -117.3 18.1 84.6 6 18 A T - 0 0 127 -2,-0.7 2,-0.1 1,-0.1 -2,-0.1 -0.609 25.1 -89.3 -86.2 153.2 -117.8 20.2 81.6 7 19 A A - 0 0 89 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.316 32.5-126.3 -66.8 134.1 -121.1 20.3 79.8 8 20 A A - 0 0 91 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.532 33.0-109.6 -70.3 143.8 -121.8 17.9 76.9 9 21 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.419 44.2 -87.1 -69.3 157.1 -123.0 19.6 73.7 10 22 A A - 0 0 79 1,-0.1 6,-0.0 -2,-0.1 4,-0.0 -0.215 44.6-101.4 -64.7 152.0 -126.6 19.2 72.6 11 23 A D > - 0 0 62 1,-0.1 4,-0.9 -3,-0.1 5,-0.1 -0.645 25.9-133.9 -74.5 131.7 -127.7 16.2 70.6 12 24 A P T 4 S+ 0 0 62 0, 0.0 359,-0.2 0, 0.0 -1,-0.1 0.768 100.6 22.9 -56.1 -32.2 -128.1 17.3 66.9 13 25 A I T >4 S+ 0 0 13 357,-0.1 3,-1.3 2,-0.1 4,-0.5 0.859 131.2 35.9-100.8 -57.8 -131.4 15.5 66.6 14 26 A L T >> S+ 0 0 112 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.873 110.2 63.5 -68.7 -33.9 -132.9 15.1 70.1 15 27 A G H 3X S+ 0 0 8 -4,-0.9 4,-1.1 1,-0.3 -1,-0.3 0.596 91.4 69.6 -62.5 -14.1 -131.6 18.5 71.2 16 28 A L H <> S+ 0 0 6 -3,-1.3 4,-2.3 2,-0.2 -1,-0.3 0.829 91.8 55.4 -75.4 -32.6 -133.8 20.1 68.5 17 29 A A H <> S+ 0 0 38 -3,-1.3 4,-2.3 -4,-0.5 -1,-0.2 0.876 104.5 55.7 -68.8 -31.1 -137.1 19.3 70.3 18 30 A D H < S+ 0 0 131 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.7 40.1 -61.7 -42.1 -135.6 21.2 73.4 19 31 A L H >< S+ 0 0 82 -4,-1.1 3,-0.8 2,-0.2 4,-0.3 0.840 113.1 52.7 -73.9 -41.2 -135.1 24.3 71.3 20 32 A F H >< S+ 0 0 34 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.922 109.8 49.6 -65.3 -42.7 -138.3 24.1 69.3 21 33 A R T 3< S+ 0 0 219 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.413 109.6 52.1 -81.3 3.2 -140.4 23.8 72.6 22 34 A A T < S+ 0 0 75 -3,-0.8 2,-0.4 -5,-0.1 -1,-0.3 0.365 87.6 103.8-110.1 -3.9 -138.6 26.8 74.0 23 35 A D < - 0 0 28 -3,-1.3 5,-0.1 -4,-0.3 -3,-0.0 -0.708 53.5-165.1 -84.6 128.7 -139.4 28.9 70.8 24 36 A E + 0 0 183 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.0 0.487 46.8 120.5 -89.2 -11.1 -142.2 31.4 71.4 25 37 A R > - 0 0 85 1,-0.1 2,-1.3 2,-0.0 3,-1.1 -0.392 62.4-135.2 -66.3 131.9 -142.9 32.2 67.8 26 38 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.224 96.8 39.6 -86.0 49.2 -146.5 31.4 66.6 27 39 A G T 3 S+ 0 0 59 -2,-1.3 -2,-0.0 339,-0.1 -3,-0.0 0.304 74.5 145.5-171.4 8.6 -145.7 29.7 63.3 28 40 A K < - 0 0 65 -3,-1.1 2,-0.4 -8,-0.1 339,-0.2 -0.317 34.6-149.7 -65.3 138.9 -142.6 27.6 64.0 29 41 A I B -a 367 0A 14 337,-1.6 339,-2.6 336,-0.2 351,-0.1 -0.950 2.5-147.9-116.7 129.5 -142.4 24.3 62.0 30 42 A N + 0 0 33 -2,-0.4 2,-0.4 337,-0.2 -1,-0.1 0.943 35.4 149.7 -75.1 -57.9 -140.6 21.2 63.4 31 43 A L + 0 0 1 348,-0.2 345,-1.8 345,-0.2 339,-0.4 0.474 50.9 94.2 47.6 5.4 -139.0 19.0 60.5 32 44 A G + 0 0 0 -2,-0.4 338,-0.2 337,-0.2 -1,-0.1 0.928 69.1 46.8 -94.4 -79.9 -136.1 17.7 62.8 33 45 A I S S- 0 0 49 -20,-0.2 2,-1.7 1,-0.1 -1,-0.1 -0.372 89.6-107.4 -71.1 144.2 -136.6 14.3 64.5 34 46 A G + 0 0 5 -2,-0.1 2,-0.4 -3,-0.0 -1,-0.1 -0.523 67.3 133.8 -80.7 83.4 -137.9 11.4 62.4 35 47 A V - 0 0 28 -2,-1.7 2,-0.1 312,-0.1 -4,-0.1 -0.978 54.7-117.9-127.4 133.0 -141.5 11.1 63.6 36 48 A Y - 0 0 22 -2,-0.4 2,-0.3 210,-0.1 343,-0.2 -0.485 26.1-164.8 -69.8 145.5 -144.5 10.7 61.2 37 49 A K - 0 0 26 341,-1.5 6,-0.2 -2,-0.1 2,-0.1 -0.965 11.1-137.0-127.3 146.9 -147.2 13.4 61.2 38 50 A D > - 0 0 26 4,-2.5 3,-2.5 -2,-0.3 4,-0.1 -0.385 45.1 -78.7 -90.4-175.8 -150.6 13.0 59.6 39 51 A E T 3 S+ 0 0 118 1,-0.3 344,-0.3 2,-0.1 -1,-0.0 0.687 130.7 53.2 -59.0 -19.1 -152.4 15.7 57.5 40 52 A T T 3 S- 0 0 97 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.431 118.1-108.0 -97.2 -1.3 -153.4 17.6 60.6 41 53 A G S < S+ 0 0 36 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.644 79.2 124.7 84.3 16.5 -149.9 17.9 62.0 42 54 A K - 0 0 144 -4,-0.1 -4,-2.5 0, 0.0 -1,-0.3 -0.767 59.1-139.5-105.9 147.4 -150.5 15.4 64.8 43 55 A T - 0 0 63 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.896 35.7-163.0-100.6 97.1 -148.5 12.2 65.5 44 56 A P - 0 0 52 0, 0.0 2,-0.7 0, 0.0 -8,-0.1 -0.423 24.8-113.9 -83.4 155.7 -151.4 9.8 66.4 45 57 A V - 0 0 70 -2,-0.1 204,-0.1 1,-0.1 205,-0.1 -0.835 49.8-108.6 -83.2 121.7 -151.3 6.6 68.2 46 58 A L > - 0 0 15 -2,-0.7 4,-1.8 202,-0.3 5,-0.1 -0.057 13.5-125.1 -48.4 151.2 -152.4 4.0 65.6 47 59 A T H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 109.0 57.6 -69.7 -35.9 -155.8 2.3 65.7 48 60 A S H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.856 110.9 42.5 -67.3 -32.2 -154.2 -1.1 65.6 49 61 A V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 110.0 56.6 -83.2 -30.0 -152.1 -0.5 68.6 50 62 A K H X S+ 0 0 116 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.885 110.5 45.6 -66.6 -36.2 -155.0 1.3 70.5 51 63 A K H X S+ 0 0 110 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.865 111.8 50.9 -72.7 -35.5 -157.1 -1.9 70.1 52 64 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.930 109.0 51.8 -67.8 -39.3 -154.2 -4.1 71.1 53 65 A E H X S+ 0 0 44 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.825 107.0 53.6 -65.5 -35.2 -153.7 -2.0 74.2 54 66 A Q H X S+ 0 0 104 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.933 109.1 49.3 -59.1 -48.4 -157.5 -2.5 75.0 55 67 A Y H X S+ 0 0 121 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.933 110.1 50.1 -57.9 -49.6 -156.9 -6.2 74.7 56 68 A L H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.873 106.3 56.7 -58.4 -40.3 -153.9 -6.1 77.1 57 69 A L H < S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.927 115.9 34.5 -58.6 -47.2 -155.9 -4.1 79.6 58 70 A E H < S+ 0 0 124 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.652 124.5 41.6 -87.4 -15.5 -158.6 -6.7 79.9 59 71 A N H < S+ 0 0 88 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.626 84.5 100.6-113.3 -8.8 -156.5 -9.8 79.4 60 72 A E < + 0 0 75 -4,-2.3 3,-0.1 -5,-0.2 0, 0.0 -0.536 36.2 176.9 -77.3 146.2 -153.2 -9.3 81.4 61 73 A T + 0 0 147 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.604 62.7 21.5-116.1 -32.8 -152.9 -11.0 84.9 62 74 A T - 0 0 88 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 -0.922 43.9-153.3-142.2 157.4 -149.4 -10.1 86.0 63 75 A K + 0 0 162 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.023 51.0 150.0-111.9 18.4 -146.6 -7.7 85.4 64 76 A N - 0 0 117 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.238 57.9 -74.9 -58.0 138.9 -144.1 -10.4 86.5 65 77 A Y - 0 0 187 1,-0.1 -1,-0.1 220,-0.0 2,-0.1 -0.028 42.8-137.7 -41.3 128.1 -140.6 -10.2 85.0 66 78 A L - 0 0 49 220,-0.3 -1,-0.1 1,-0.2 5,-0.1 -0.345 36.3 -86.9 -75.0 161.3 -140.1 -11.3 81.5 67 79 A G > - 0 0 43 3,-0.3 3,-2.1 -2,-0.1 -1,-0.2 -0.290 45.7 -97.8 -67.9 165.1 -137.0 -13.4 80.6 68 80 A I T 3 S+ 0 0 54 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.863 126.3 45.7 -53.1 -38.6 -133.8 -11.6 79.7 69 81 A D T 3 S- 0 0 42 1,-0.3 30,-1.8 29,-0.1 -1,-0.3 0.345 108.8-133.2 -88.6 3.0 -134.5 -12.0 76.0 70 82 A G < - 0 0 5 -3,-2.1 -3,-0.3 28,-0.2 -1,-0.3 -0.351 55.1 -3.4 84.1-161.2 -138.2 -10.9 76.3 71 83 A I > - 0 0 18 1,-0.1 4,-1.7 -5,-0.1 -5,-0.0 -0.551 54.2-150.9 -73.1 123.4 -141.4 -12.3 74.8 72 84 A P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.829 96.0 59.1 -65.9 -31.7 -140.7 -15.4 72.6 73 85 A E H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 106.8 49.3 -60.1 -45.3 -143.8 -14.7 70.4 74 86 A F H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 110.0 50.8 -54.3 -53.5 -142.2 -11.4 69.6 75 87 A G H X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.858 111.9 45.9 -56.3 -41.8 -138.9 -13.0 68.8 76 88 A R H X S+ 0 0 144 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.935 113.5 49.0 -70.4 -46.2 -140.5 -15.6 66.3 77 89 A C H X S+ 0 0 28 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.847 110.7 51.8 -59.5 -36.8 -142.7 -12.9 64.6 78 90 A T H >X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 3,-1.1 0.977 107.8 50.4 -65.6 -54.1 -139.6 -10.6 64.2 79 91 A Q H 3X S+ 0 0 22 -4,-1.8 4,-2.8 1,-0.3 5,-0.5 0.799 110.2 50.6 -55.8 -36.0 -137.4 -13.3 62.5 80 92 A E H 3X S+ 0 0 82 -4,-1.6 4,-0.8 2,-0.2 -1,-0.3 0.769 111.1 48.8 -70.6 -30.9 -140.2 -14.1 60.1 81 93 A L H << S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-1.1 -1,-0.2 0.882 118.8 39.4 -73.5 -41.2 -140.5 -10.4 59.2 82 94 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.922 131.6 20.8 -75.8 -48.3 -136.8 -10.1 58.7 83 95 A F H < S- 0 0 10 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.688 111.3 -97.8-103.4 -18.4 -135.9 -13.4 56.9 84 96 A G >< - 0 0 8 -4,-0.8 3,-1.4 -5,-0.5 2,-0.5 -0.127 40.9 -68.4 111.4 144.6 -139.2 -14.6 55.4 85 97 A K T 3 S+ 0 0 186 1,-0.3 -5,-0.0 -5,-0.1 -4,-0.0 -0.576 124.7 11.6 -65.4 112.1 -141.9 -17.0 56.2 86 98 A G T 3 S+ 0 0 52 -2,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.789 88.8 165.7 85.6 34.3 -140.2 -20.4 55.9 87 99 A S <> - 0 0 22 -3,-1.4 4,-1.7 1,-0.1 3,-0.4 -0.424 46.7-121.3 -76.2 156.6 -136.6 -19.3 55.7 88 100 A A H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 6,-0.2 0.798 110.6 60.2 -67.0 -30.0 -133.7 -21.7 56.2 89 101 A L H 4>S+ 0 0 9 1,-0.2 5,-2.1 2,-0.2 6,-1.1 0.818 108.3 44.5 -68.3 -32.6 -132.4 -19.7 59.2 90 102 A I H >45S+ 0 0 37 -3,-0.4 3,-0.5 3,-0.2 -1,-0.2 0.848 116.1 45.7 -79.3 -36.6 -135.6 -20.2 61.1 91 103 A N H 3<5S+ 0 0 109 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.810 112.3 48.7 -81.1 -26.9 -135.8 -23.9 60.2 92 104 A D T 3<5S- 0 0 97 -4,-2.4 173,-0.5 -5,-0.1 -1,-0.2 0.412 110.2-122.2 -88.7 4.7 -132.2 -24.8 61.0 93 105 A K T < 5 + 0 0 143 -3,-0.5 -3,-0.2 -5,-0.1 175,-0.1 0.869 69.4 137.8 53.2 43.3 -132.6 -22.9 64.3 94 106 A R < + 0 0 33 -5,-2.1 168,-1.5 -6,-0.2 2,-0.4 0.608 47.2 72.0 -88.7 -20.3 -129.7 -20.6 63.3 95 107 A A E -B 261 0B 6 -6,-1.1 2,-0.4 166,-0.2 166,-0.2 -0.862 54.3-175.3-103.7 131.0 -131.2 -17.3 64.5 96 108 A R E -B 260 0B 72 164,-2.9 164,-2.8 -2,-0.4 2,-0.5 -0.983 9.9-164.2-121.0 130.2 -131.7 -16.1 68.2 97 109 A T E -B 259 0B 16 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.906 8.6-164.2-123.4 133.6 -133.4 -12.8 69.0 98 110 A A E -B 258 0B 0 160,-2.4 160,-2.7 -2,-0.5 2,-0.4 -0.886 24.5-124.9-105.0 141.1 -133.6 -10.7 72.1 99 111 A Q E +B 257 0B 3 -30,-1.8 158,-0.3 -2,-0.4 156,-0.0 -0.733 38.6 179.8 -80.6 129.8 -136.1 -8.0 72.7 100 112 A T E -B 256 0B 0 156,-1.9 2,-1.5 -2,-0.4 156,-1.5 -0.783 42.3 -86.5-126.0 167.9 -134.5 -4.6 73.5 101 113 A P E > S-B 255 0B 30 0, 0.0 4,-1.3 0, 0.0 154,-0.3 -0.651 92.4 -54.0 -72.9 83.1 -135.4 -1.0 74.3 102 114 A G H > S- 0 0 0 -2,-1.5 4,-1.8 152,-0.5 154,-0.3 0.076 79.8 -60.9 72.7 179.2 -135.7 0.2 70.7 103 115 A G H > S+ 0 0 11 152,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.780 134.8 57.1 -65.7 -27.2 -133.1 -0.1 67.8 104 116 A T H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 107.9 47.4 -69.0 -43.1 -130.6 2.1 69.8 105 117 A G H X S+ 0 0 14 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.834 111.3 51.2 -62.2 -40.0 -130.8 -0.5 72.6 106 118 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 136,-0.2 -1,-0.2 0.903 109.1 50.8 -66.1 -39.6 -130.3 -3.3 70.1 107 119 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.899 112.1 47.0 -66.2 -39.2 -127.3 -1.5 68.6 108 120 A R H X S+ 0 0 92 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 109.9 51.2 -70.2 -41.9 -125.7 -1.1 72.2 109 121 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.876 112.0 50.4 -58.9 -41.0 -126.3 -4.8 73.2 110 122 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 110.5 47.5 -63.4 -46.3 -124.7 -5.7 69.9 111 123 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.870 113.6 47.8 -63.7 -39.3 -121.6 -3.5 70.6 112 124 A D H X S+ 0 0 39 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.893 111.9 49.3 -67.0 -42.4 -121.2 -4.8 74.2 113 125 A F H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.949 114.6 44.6 -59.3 -56.7 -121.5 -8.4 73.1 114 126 A L H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 6,-0.5 0.864 112.8 51.0 -58.7 -39.1 -118.9 -7.9 70.3 115 127 A A H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 119.6 35.2 -67.2 -41.0 -116.5 -5.9 72.6 116 128 A K H < S+ 0 0 166 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.769 129.2 29.0 -83.2 -29.6 -116.5 -8.6 75.3 117 129 A N H < S+ 0 0 62 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.342 113.5 52.3-119.0 1.2 -116.8 -11.9 73.3 118 130 A T S < S- 0 0 59 -4,-1.2 0, 0.0 -5,-0.2 0, 0.0 -0.809 77.9-116.3-135.0 168.8 -115.1 -11.2 69.9 119 131 A S + 0 0 99 -2,-0.3 -4,-0.1 53,-0.0 2,-0.1 0.216 65.8 134.3 -93.7 13.4 -111.8 -9.8 68.7 120 132 A V + 0 0 13 -6,-0.5 -2,-0.1 1,-0.2 53,-0.1 -0.373 18.9 158.7 -72.6 148.1 -113.3 -6.7 66.9 121 133 A K + 0 0 122 1,-0.3 22,-2.4 51,-0.1 2,-0.4 0.555 61.6 58.9-127.6 -44.5 -111.8 -3.3 67.3 122 134 A R E -c 143 0B 58 20,-0.2 52,-2.2 50,-0.1 2,-0.4 -0.805 51.1-173.4-104.1 139.5 -113.2 -1.5 64.2 123 135 A V E -cd 144 174B 0 20,-2.3 22,-2.5 -2,-0.4 2,-0.5 -0.979 19.2-145.3-117.7 133.2 -116.8 -0.8 63.1 124 136 A W E +cd 145 175B 3 50,-2.6 52,-3.0 -2,-0.4 2,-0.3 -0.889 21.2 179.0-105.3 123.0 -117.2 0.8 59.6 125 137 A V E -c 146 0B 6 20,-2.2 22,-1.8 -2,-0.5 4,-0.1 -0.950 30.1 -97.3-125.0 145.8 -120.2 3.2 59.2 126 138 A S E -c 147 0B 1 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.122 37.4-101.3 -64.3 153.7 -121.2 5.2 56.1 127 139 A N E S+c 148 0B 83 20,-1.7 23,-1.3 1,-0.2 22,-0.7 -0.972 113.6 27.5-109.9 106.6 -120.4 8.8 55.3 128 140 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.590 90.4 149.6 -93.2 172.5 -122.9 10.1 56.1 129 141 A S - 0 0 24 -2,-0.1 -4,-0.0 -4,-0.1 -2,-0.0 -0.883 56.8 -63.3-145.0 177.4 -124.8 8.2 58.8 130 142 A W > - 0 0 54 53,-0.4 3,-1.6 -2,-0.3 4,-0.4 -0.554 53.1-130.1 -58.6 130.8 -127.2 8.7 61.8 131 143 A P T >> S+ 0 0 63 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.779 102.5 62.1 -56.4 -34.3 -125.0 10.7 64.4 132 144 A N H 3> S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.398 82.1 80.0 -78.8 0.6 -125.7 8.5 67.2 133 145 A H H <> S+ 0 0 3 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.942 95.2 47.1 -70.1 -44.1 -124.0 5.5 65.5 134 146 A K H <> S+ 0 0 104 -3,-0.7 4,-2.5 -4,-0.4 5,-0.2 0.948 111.2 52.2 -59.2 -51.7 -120.5 6.8 66.5 135 147 A S H X S+ 0 0 65 -4,-0.8 4,-1.2 1,-0.2 -1,-0.2 0.796 108.2 48.9 -53.4 -44.5 -121.6 7.4 70.0 136 148 A V H X S+ 0 0 10 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.944 114.4 43.0 -68.2 -46.6 -123.0 3.9 70.7 137 149 A F H >X>S+ 0 0 0 -4,-1.7 5,-1.8 1,-0.2 3,-1.1 0.908 112.0 53.8 -71.2 -36.1 -120.0 1.9 69.4 138 150 A N H ><5S+ 0 0 74 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.788 100.3 62.8 -66.9 -30.9 -117.5 4.2 71.1 139 151 A S H 3<5S+ 0 0 71 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.747 103.7 48.9 -60.4 -27.7 -119.4 3.6 74.4 140 152 A A H <<5S- 0 0 21 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.579 125.2-103.1 -88.5 -14.3 -118.4 -0.1 74.1 141 153 A G T <<5S+ 0 0 65 -3,-0.6 2,-0.2 -4,-0.6 -3,-0.2 0.338 77.9 133.5 107.3 -0.0 -114.8 0.7 73.4 142 154 A L < - 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