==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(AMINOTRANSFERASE) 28-FEB-94 1AKB . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR V.N.MALASHKEVICH,J.N.JANSONIUS . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.5 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 . 2 0.5 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 . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 0 0 2 2 0 1 4 1 0 0 1 0 0 1 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 . 1 1 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 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 3 A S 0 0 156 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.2 50.0 32.4 8.8 2 4 A S > - 0 0 100 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.206 360.0 -72.7-104.9-165.1 47.2 29.9 9.5 3 5 A W T 3 S+ 0 0 211 1,-0.2 3,-0.3 -2,-0.1 0, 0.0 0.814 126.9 33.3 -65.1 -43.1 44.8 29.8 12.5 4 6 A W T > S+ 0 0 185 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 -0.005 74.7 115.6-110.6 30.8 47.3 28.5 15.1 5 7 A S T < S+ 0 0 78 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.814 82.4 50.6 -67.0 -27.4 50.6 30.1 14.1 6 8 A H T 3 S+ 0 0 134 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.520 80.7 108.7 -86.7 -12.6 50.6 32.1 17.3 7 9 A V < - 0 0 91 -3,-1.0 2,-0.1 1,-0.1 -3,-0.0 -0.624 62.2-145.4 -73.0 120.7 49.9 29.1 19.7 8 10 A E - 0 0 176 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 -0.399 21.2 -93.2 -90.7 162.3 53.1 28.5 21.6 9 11 A M - 0 0 188 -2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.608 45.0-156.6 -70.3 120.1 54.8 25.4 22.9 10 12 A G - 0 0 47 -2,-0.4 -3,-0.0 1,-0.1 -1,-0.0 -0.649 21.0-103.1 -96.0 160.9 53.6 25.0 26.5 11 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.320 37.1 -92.3 -82.0 162.4 55.6 23.0 29.1 12 14 A P - 0 0 92 0, 0.0 6,-0.0 0, 0.0 4,-0.0 -0.438 52.2 -88.6 -73.1 147.9 55.0 19.5 30.4 13 15 A D > - 0 0 70 1,-0.1 4,-1.9 -2,-0.1 5,-0.3 -0.330 33.6-125.7 -57.7 132.3 52.9 19.0 33.5 14 16 A P T 4 S+ 0 0 100 0, 0.0 361,-0.3 0, 0.0 -1,-0.1 0.658 104.8 18.8 -53.2 -23.3 55.1 19.1 36.6 15 17 A I T >> S+ 0 0 15 359,-0.1 3,-1.6 2,-0.1 4,-0.8 0.722 130.4 42.0-110.6 -58.2 53.8 15.7 37.8 16 18 A L H >> S+ 0 0 85 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.835 107.7 63.2 -61.0 -34.4 52.3 14.0 34.8 17 19 A G H 3X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.797 92.8 66.8 -62.9 -28.2 55.1 15.1 32.7 18 20 A V H <> S+ 0 0 21 -3,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.873 98.8 49.5 -62.4 -40.8 57.4 13.0 35.0 19 21 A T H < S+ 0 0 38 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.890 100.8 60.9 -66.2 -42.0 60.2 8.2 32.6 23 25 A K H 3< S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 104.1 50.3 -54.6 -39.7 58.6 6.2 29.8 24 26 A R H 3< S+ 0 0 183 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.610 83.1 104.3 -73.6 -24.5 61.4 7.1 27.4 25 27 A D << - 0 0 33 -3,-0.8 5,-0.0 -4,-0.7 -3,-0.0 -0.378 54.5-157.3 -66.4 139.6 64.5 6.1 29.5 26 28 A T + 0 0 141 -2,-0.1 2,-0.5 3,-0.0 -1,-0.1 0.441 53.3 121.5 -97.6 -1.9 66.2 2.8 28.5 27 29 A N > - 0 0 40 1,-0.2 3,-1.8 2,-0.1 -2,-0.1 -0.533 56.1-150.3 -63.9 116.7 67.8 2.3 31.9 28 30 A S T 3 S+ 0 0 115 -2,-0.5 -1,-0.2 1,-0.3 342,-0.0 0.569 95.2 54.9 -65.4 -12.6 66.5 -1.1 33.1 29 31 A K T 3 S+ 0 0 127 2,-0.1 -1,-0.3 340,-0.0 -2,-0.1 0.244 80.0 136.4-100.2 7.5 66.8 0.0 36.8 30 32 A K < - 0 0 58 -3,-1.8 2,-0.4 341,-0.1 341,-0.2 -0.185 37.0-161.1 -58.7 147.0 64.7 3.1 36.3 31 33 A M E -a 371 0A 11 339,-2.0 341,-2.8 338,-0.1 2,-0.9 -0.999 13.7-144.5-135.3 130.2 62.0 3.9 38.9 32 34 A N E +a 372 0A 36 -2,-0.4 341,-0.1 339,-0.2 339,-0.1 -0.844 34.5 154.7 -99.6 94.4 59.0 6.2 38.5 33 35 A L + 0 0 0 339,-2.5 347,-1.6 -2,-0.9 341,-0.4 -0.062 48.7 92.2-109.2 25.3 58.6 8.0 41.9 34 36 A G S S+ 0 0 0 339,-0.2 340,-0.2 345,-0.2 -18,-0.1 0.917 77.1 41.8 -82.4 -89.7 56.8 11.0 40.4 35 37 A V S S- 0 0 27 -20,-0.3 2,-1.5 1,-0.1 345,-0.1 -0.176 93.0-105.5 -61.6 152.6 53.0 10.5 40.4 36 38 A G + 0 0 0 367,-1.4 2,-0.4 346,-0.0 -1,-0.1 -0.654 62.9 146.5 -83.1 88.5 51.4 8.9 43.5 37 39 A A - 0 0 16 -2,-1.5 2,-0.1 314,-0.1 213,-0.1 -0.998 46.3-122.6-130.3 128.2 50.6 5.4 42.3 38 40 A Y - 0 0 19 -2,-0.4 8,-0.6 8,-0.1 2,-0.3 -0.399 25.5-166.9 -70.3 142.1 50.7 2.4 44.5 39 41 A R B -B 45 0B 73 343,-1.8 345,-0.1 6,-0.2 2,-0.1 -0.923 18.8-123.7-125.5 148.7 53.0 -0.5 43.5 40 42 A D > - 0 0 38 4,-2.8 3,-2.9 -2,-0.3 4,-0.3 -0.332 46.0 -84.1 -84.1 177.8 53.0 -4.0 44.9 41 43 A D T 3 S+ 0 0 61 1,-0.3 345,-0.8 2,-0.2 346,-0.5 0.455 132.2 56.0 -66.2 0.4 56.2 -5.5 46.5 42 44 A N T 3 S- 0 0 126 2,-0.2 -1,-0.3 343,-0.1 343,-0.1 0.374 122.9-109.8-104.3 -5.8 57.5 -6.6 43.0 43 45 A G S < S+ 0 0 26 -3,-2.9 -2,-0.2 1,-0.3 342,-0.1 0.866 75.3 136.0 74.7 45.7 57.1 -3.0 42.1 44 46 A K - 0 0 126 -4,-0.3 -4,-2.8 1,-0.0 -1,-0.3 -0.917 65.7 -87.8-125.4 150.4 54.1 -3.7 39.8 45 47 A P B -B 39 0B 88 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.284 47.3-146.4 -52.1 134.6 50.8 -2.1 39.2 46 48 A Y - 0 0 65 -8,-0.6 2,-0.6 -6,-0.0 -8,-0.1 -0.953 17.3-169.7-121.6 120.0 48.3 -3.6 41.6 47 49 A V - 0 0 55 -2,-0.5 206,-0.1 207,-0.1 207,-0.1 -0.927 37.2-114.9-100.3 116.1 44.6 -4.2 40.9 48 50 A L > - 0 0 1 -2,-0.6 4,-2.6 204,-0.4 3,-0.1 -0.161 11.8-123.3 -58.8 151.5 42.9 -5.0 44.2 49 51 A N H > S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.920 113.8 51.9 -57.0 -50.0 41.4 -8.4 44.8 50 52 A C H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.829 108.2 52.7 -61.2 -32.7 38.0 -6.9 45.6 51 53 A V H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.958 107.2 51.5 -66.0 -50.5 38.2 -4.9 42.3 52 54 A R H X S+ 0 0 138 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.881 113.7 44.3 -52.9 -44.7 38.9 -8.1 40.3 53 55 A K H X S+ 0 0 99 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.889 110.4 54.1 -69.5 -39.1 35.9 -9.8 41.9 54 56 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.941 108.5 50.8 -55.8 -50.3 33.6 -6.7 41.4 55 57 A E H X S+ 0 0 59 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.900 107.6 53.3 -53.2 -45.8 34.5 -6.7 37.8 56 58 A A H X S+ 0 0 59 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.854 107.2 50.2 -61.7 -39.7 33.6 -10.4 37.5 57 59 A M H X S+ 0 0 77 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.881 109.7 52.4 -65.7 -40.5 30.1 -9.9 39.0 58 60 A I H <>S+ 0 0 19 -4,-2.1 5,-1.1 2,-0.2 4,-0.4 0.867 112.1 45.1 -59.8 -43.5 29.6 -7.1 36.5 59 61 A A H ><5S+ 0 0 61 -4,-1.9 3,-2.2 2,-0.2 -2,-0.2 0.962 111.1 51.4 -64.1 -55.3 30.5 -9.3 33.6 60 62 A A H 3<5S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.834 106.4 56.5 -51.5 -40.3 28.5 -12.3 34.8 61 63 A K T 3<5S- 0 0 124 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.570 98.9-139.4 -72.0 -15.1 25.4 -10.0 35.1 62 64 A K T < 5 - 0 0 181 -3,-2.2 -3,-0.2 -4,-0.4 -2,-0.1 0.923 30.2-166.9 52.5 54.8 25.6 -8.9 31.5 63 66 A M < - 0 0 74 -5,-1.1 -1,-0.1 1,-0.1 -5,-0.0 -0.342 15.8-116.5 -74.4 152.8 24.8 -5.3 32.2 64 67 A D - 0 0 97 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.087 10.1-135.2 -73.6-178.5 23.9 -2.7 29.6 65 68 A K + 0 0 165 2,-0.0 3,-0.1 3,-0.0 227,-0.1 -0.061 49.1 147.9-129.1 27.3 25.9 0.5 28.8 66 69 A E - 0 0 130 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.274 58.4 -80.7 -68.5 155.0 23.1 3.0 28.7 67 70 A Y - 0 0 201 1,-0.1 -1,-0.1 222,-0.0 3,-0.1 -0.240 42.8-134.5 -55.7 143.7 23.6 6.6 29.8 68 71 A L - 0 0 24 222,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.556 36.3 -84.7 -93.8 156.5 23.6 7.3 33.6 69 72 A P > - 0 0 84 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.160 48.2-101.2 -54.7 159.9 21.7 10.3 35.0 70 73 A I T 3 S+ 0 0 47 1,-0.3 3,-0.1 219,-0.2 -2,-0.1 0.873 122.1 52.2 -54.3 -37.8 23.6 13.5 34.9 71 74 A A T 3 S- 0 0 14 1,-0.2 30,-3.3 29,-0.1 -1,-0.3 0.511 112.7-113.2 -81.7 -3.7 24.4 13.2 38.6 72 75 A G < - 0 0 6 -3,-1.8 2,-0.5 28,-0.2 -1,-0.2 -0.513 55.5 -22.8 107.1-176.3 25.8 9.6 38.5 73 76 A L >> - 0 0 43 -2,-0.2 4,-2.4 1,-0.2 3,-0.5 -0.700 56.2-142.7 -74.6 122.6 25.0 6.1 39.7 74 77 A A H 3> S+ 0 0 60 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.845 99.2 50.8 -54.6 -42.4 22.6 6.6 42.8 75 78 A D H 3> S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.822 112.3 46.8 -63.8 -36.8 24.1 3.7 44.7 76 79 A F H <> S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.898 114.8 47.5 -70.7 -44.2 27.6 5.0 44.2 77 80 A T H X S+ 0 0 25 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 113.7 44.6 -64.5 -48.0 26.6 8.5 45.2 78 81 A R H X S+ 0 0 104 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.919 114.4 51.7 -66.2 -42.2 24.7 7.5 48.3 79 82 A A H X S+ 0 0 2 -4,-1.6 4,-1.5 -5,-0.3 -2,-0.2 0.807 108.4 50.7 -65.0 -33.4 27.6 5.1 49.3 80 83 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.901 108.4 50.3 -71.8 -42.1 30.3 7.8 48.9 81 84 A A H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 5,-0.3 0.947 112.3 49.7 -57.3 -47.7 28.5 10.4 51.0 82 85 A E H X S+ 0 0 52 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.844 106.7 53.9 -59.8 -38.9 28.2 7.7 53.6 83 86 A L H < S+ 0 0 4 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.850 117.9 36.7 -67.5 -36.6 31.9 6.7 53.4 84 87 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.935 125.7 36.8 -80.1 -48.0 32.9 10.3 54.1 85 88 A L H < S- 0 0 5 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.802 104.4-122.7 -73.9 -36.7 30.1 11.3 56.6 86 89 A G >< - 0 0 5 -4,-2.5 3,-0.9 -5,-0.3 6,-0.2 0.209 25.5 -95.4 95.2 142.3 29.8 8.0 58.5 87 90 A E T 3 S+ 0 0 129 1,-0.2 -1,-0.1 5,-0.1 -4,-0.1 0.576 120.2 51.0 -65.6 -20.0 26.4 6.3 58.8 88 91 A N T 3 S+ 0 0 133 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.483 80.9 126.4 -94.8 -11.9 25.2 7.7 62.1 89 92 A S <> - 0 0 19 -3,-0.9 4,-2.6 -7,-0.1 5,-0.2 -0.165 61.6-138.9 -48.6 138.6 25.9 11.3 61.0 90 93 A E H > S+ 0 0 116 2,-0.2 4,-3.4 1,-0.2 6,-0.2 0.910 103.5 55.0 -67.3 -41.0 22.9 13.7 61.4 91 94 A A H >>S+ 0 0 1 2,-0.2 5,-1.6 1,-0.2 4,-0.7 0.915 113.4 39.8 -58.5 -48.7 23.8 15.2 58.0 92 95 A F H >45S+ 0 0 25 -6,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.984 118.6 48.4 -64.3 -54.6 23.7 11.9 56.2 93 96 A K H 3<5S+ 0 0 126 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.851 114.2 45.0 -53.6 -43.4 20.6 10.7 58.2 94 97 A S H 3<5S- 0 0 53 -4,-3.4 -1,-0.3 -5,-0.2 175,-0.2 0.515 106.9-126.2 -81.2 -8.4 18.7 14.0 57.6 95 98 A G T <<5 + 0 0 24 -3,-1.5 -3,-0.2 -4,-0.7 177,-0.1 0.766 59.3 146.7 65.0 32.6 19.6 14.1 53.9 96 99 A R < + 0 0 28 -5,-1.6 170,-3.0 -6,-0.2 2,-0.3 -0.042 51.0 82.5 -85.9 30.5 21.0 17.6 54.1 97 100 A Y E -C 265 0C 42 168,-0.2 2,-0.4 -6,-0.2 168,-0.2 -0.954 59.6-155.9-138.1 156.9 23.6 16.8 51.5 98 101 A V E -C 264 0C 8 166,-1.9 166,-3.1 -2,-0.3 2,-0.4 -0.995 15.0-176.1-134.9 125.5 23.9 16.5 47.7 99 102 A T E -C 263 0C 5 -2,-0.4 2,-0.4 164,-0.3 164,-0.2 -0.991 2.4-171.2-123.7 132.4 26.6 14.3 46.3 100 103 A V E -C 262 0C 0 162,-2.4 162,-2.4 -2,-0.4 -28,-0.2 -0.995 30.2-111.1-130.3 131.2 27.2 14.1 42.5 101 104 A Q E -C 261 0C 0 -30,-3.3 160,-0.3 -2,-0.4 2,-0.3 -0.403 43.7-171.5 -58.8 140.3 29.5 11.6 40.8 102 105 A G E -C 260 0C 2 158,-2.2 2,-2.2 144,-0.2 158,-1.0 -0.837 38.5 -89.4-131.9 166.2 32.5 13.4 39.4 103 106 A I S > S- 0 0 50 -2,-0.3 4,-2.2 156,-0.1 156,-0.2 -0.489 85.9 -69.9 -78.8 76.4 35.4 12.6 37.1 104 107 A S H > S- 0 0 0 -2,-2.2 4,-2.3 154,-0.4 156,-0.3 -0.181 84.9 -47.2 64.7-164.5 37.7 11.4 39.9 105 108 A G H > S+ 0 0 0 154,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 141.9 50.0 -64.3 -48.6 39.1 13.9 42.4 106 109 A T H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.895 112.6 47.6 -55.8 -46.6 40.2 16.4 39.7 107 110 A G H X S+ 0 0 16 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.889 113.1 47.6 -61.1 -46.4 36.8 16.3 38.0 108 111 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 110.8 52.3 -60.8 -43.8 34.9 16.7 41.3 109 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.844 111.0 46.4 -60.8 -42.1 37.1 19.7 42.4 110 113 A R H X S+ 0 0 82 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.878 109.3 54.2 -74.3 -35.9 36.5 21.5 39.2 111 114 A V H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.928 112.9 45.9 -62.3 -40.6 32.7 20.9 39.4 112 115 A G H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.925 112.6 47.5 -61.5 -51.6 32.9 22.4 42.8 113 116 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.840 114.1 48.2 -60.0 -41.2 35.1 25.4 41.8 114 117 A N H X S+ 0 0 32 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.871 111.8 50.0 -67.7 -40.0 32.8 26.1 38.8 115 118 A F H X S+ 0 0 21 -4,-2.0 4,-3.4 -5,-0.3 5,-0.3 0.937 113.4 46.1 -61.4 -50.9 29.7 25.8 41.1 116 119 A L H X S+ 0 0 5 -4,-3.1 4,-3.4 2,-0.2 -2,-0.2 0.930 108.0 55.2 -60.0 -48.2 31.3 28.2 43.5 117 120 A Q H < S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.9 39.2 -51.7 -45.9 32.3 30.7 40.8 118 121 A R H < S+ 0 0 118 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.877 133.0 18.3 -73.9 -44.2 28.7 30.7 39.7 119 122 A F H < S+ 0 0 86 -4,-3.4 2,-1.5 -5,-0.1 -3,-0.2 0.549 91.7 94.1-110.7 -12.7 26.9 30.7 43.1 120 123 A F >< + 0 0 29 -4,-3.4 3,-1.0 -5,-0.3 -1,-0.1 -0.673 47.0 174.7 -83.6 90.0 29.3 31.8 45.9 121 124 A K T 3 + 0 0 175 -2,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.511 61.8 71.4 -75.0 -4.9 28.3 35.5 46.0 122 125 A F T 3 S- 0 0 108 1,-0.2 2,-0.3 53,-0.1 -1,-0.2 0.508 107.3 -9.3 -89.7 -4.0 30.4 36.5 49.0 123 126 A S < - 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