==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE (AMINOTRANSFERASE) 23-AUG-95 1ARG . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.N.MALASHKEVICH,J.N.JANSONIUS . 794 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 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 . 52 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.9 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 0 0 2 2 6 0 2 4 3 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 2 3 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 2 2 0 0 4 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 . 6 0 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 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 5 A M 0 0 52 0, 0.0 515,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -32.6 -15.1 27.6 41.4 2 6 A F > + 0 0 0 1,-0.1 3,-2.0 2,-0.1 657,-0.0 0.469 360.0 105.3-105.4 -0.9 -16.8 30.3 39.4 3 7 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 665,-0.0 656,-0.0 0.804 85.8 42.1 -44.6 -41.8 -20.3 30.1 40.9 4 8 A N T 3 S+ 0 0 155 -3,-0.2 2,-0.4 510,-0.1 -1,-0.3 0.286 80.3 122.0 -96.7 10.9 -19.9 33.3 42.9 5 9 A I < - 0 0 10 -3,-2.0 2,-0.3 1,-0.0 663,-0.1 -0.600 52.5-144.9 -76.8 133.1 -18.2 35.5 40.4 6 10 A T - 0 0 100 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.690 23.2 -95.3 -97.2 152.3 -20.1 38.6 39.8 7 11 A A - 0 0 60 -2,-0.3 661,-0.1 1,-0.1 660,-0.1 -0.329 37.1-121.6 -64.2 140.4 -20.3 40.4 36.5 8 12 A A - 0 0 19 659,-0.4 2,-0.1 1,-0.1 -1,-0.1 -0.568 29.1-105.9 -82.8 144.1 -18.0 43.3 35.9 9 13 A P - 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.468 48.3 -98.9 -67.1 140.6 -19.4 46.7 35.1 10 14 A A - 0 0 82 -2,-0.1 6,-0.0 1,-0.1 660,-0.0 -0.177 41.5 -91.2 -62.3 156.4 -19.1 47.5 31.4 11 15 A D > - 0 0 34 1,-0.1 4,-1.7 -3,-0.1 5,-0.2 -0.516 28.4-138.2 -69.2 128.6 -16.2 49.7 30.1 12 16 A P T 4 S+ 0 0 66 0, 0.0 359,-0.3 0, 0.0 -1,-0.1 0.787 102.1 22.4 -58.6 -30.6 -17.3 53.3 30.0 13 17 A I T >> S+ 0 0 1 2,-0.1 3,-1.2 357,-0.1 4,-0.7 0.845 129.3 40.5 -98.9 -63.3 -15.6 53.6 26.7 14 18 A L H 3> S+ 0 0 20 1,-0.3 4,-0.6 2,-0.2 3,-0.2 0.733 110.3 61.5 -61.7 -25.5 -15.3 50.2 25.2 15 19 A G H 3X S+ 0 0 7 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.715 90.7 65.4 -77.6 -22.3 -18.8 49.2 26.3 16 20 A L H <> S+ 0 0 12 -3,-1.2 4,-3.2 -5,-0.2 5,-0.2 0.830 94.7 62.0 -65.4 -33.6 -20.5 51.9 24.3 17 21 A A H X S+ 0 0 30 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.890 101.2 51.2 -59.6 -39.3 -19.3 50.1 21.4 18 22 A D H X S+ 0 0 85 -4,-0.6 4,-2.4 -3,-0.2 3,-0.4 0.994 114.0 42.9 -59.9 -61.1 -21.3 47.1 22.5 19 23 A L H X S+ 0 0 76 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.888 110.7 55.8 -47.1 -55.4 -24.5 49.1 22.9 20 24 A F H >< S+ 0 0 33 -4,-3.2 3,-0.7 2,-0.2 -1,-0.2 0.876 111.3 44.1 -49.2 -46.0 -24.0 51.1 19.7 21 25 A R H 3< S+ 0 0 185 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.999 110.0 52.5 -64.7 -65.1 -23.8 47.9 17.7 22 26 A A H 3< S+ 0 0 90 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 0.529 92.2 104.0 -50.2 -2.2 -26.7 46.2 19.3 23 27 A D << - 0 0 16 -3,-0.7 5,-0.1 -4,-0.6 -3,-0.0 -0.736 51.5-169.8 -91.1 127.9 -28.7 49.3 18.5 24 28 A E + 0 0 187 -2,-0.5 -1,-0.1 3,-0.0 -2,-0.1 0.623 42.1 126.5 -88.6 -16.1 -31.2 49.2 15.6 25 29 A R > - 0 0 79 1,-0.1 3,-1.7 2,-0.1 -2,-0.1 -0.245 57.4-140.2 -49.9 114.3 -32.0 53.0 15.3 26 30 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.820 94.3 41.8 -46.6 -48.6 -31.4 53.8 11.7 27 31 A G T 3 S+ 0 0 60 2,-0.1 -2,-0.1 360,-0.0 -3,-0.0 0.231 80.1 153.6 -93.9 22.0 -29.8 57.3 12.1 28 32 A K < - 0 0 61 -3,-1.7 2,-0.4 -5,-0.1 339,-0.2 -0.164 29.0-154.1 -51.5 136.1 -27.7 56.4 15.2 29 33 A I E -a 367 0A 21 337,-2.4 339,-3.4 336,-0.1 2,-0.7 -0.959 1.2-151.3-118.0 126.9 -24.4 58.5 15.6 30 34 A N E +a 368 0A 43 -2,-0.4 339,-0.1 337,-0.2 337,-0.1 -0.829 30.0 154.6-104.3 112.3 -21.4 57.3 17.5 31 35 A L + 0 0 1 337,-2.9 345,-1.1 -2,-0.7 339,-0.4 0.004 50.7 94.2-118.5 23.8 -19.1 59.8 19.2 32 36 A G + 0 0 0 337,-0.2 338,-0.2 343,-0.1 -18,-0.1 0.930 65.5 49.5 -78.9 -95.9 -17.7 57.5 21.9 33 37 A I S S- 0 0 21 -20,-0.3 2,-2.1 1,-0.2 343,-0.0 -0.107 87.3-109.1 -50.5 147.0 -14.4 55.7 21.2 34 38 A G + 0 0 0 2,-0.0 2,-0.5 343,-0.0 -1,-0.2 -0.470 67.3 138.3 -82.8 72.1 -11.5 57.8 20.1 35 39 A V - 0 0 8 -2,-2.1 2,-0.1 312,-0.1 211,-0.1 -0.967 52.9-118.5-122.9 128.3 -11.3 56.6 16.6 36 40 A Y - 0 0 19 -2,-0.5 2,-0.3 210,-0.1 343,-0.1 -0.307 30.2-170.5 -66.9 138.5 -10.8 58.8 13.6 37 41 A K - 0 0 37 341,-1.5 6,-0.2 6,-0.1 2,-0.2 -0.910 11.7-134.5-125.0 155.2 -13.4 58.9 10.9 38 42 A D > - 0 0 33 4,-1.8 3,-5.0 -2,-0.3 4,-0.1 -0.565 42.2 -81.6-106.2 175.1 -13.4 60.4 7.5 39 43 A E T 3 S+ 0 0 103 1,-0.3 344,-0.3 -2,-0.2 -1,-0.0 0.668 133.4 48.9 -45.3 -22.4 -15.9 62.6 5.6 40 44 A T T 3 S- 0 0 106 2,-0.2 -1,-0.3 342,-0.1 3,-0.1 0.341 119.4-111.1-102.3 5.1 -17.7 59.4 4.8 41 45 A G S < S+ 0 0 31 -3,-5.0 2,-0.3 1,-0.3 -2,-0.2 0.798 76.0 124.6 72.5 29.0 -17.7 58.2 8.3 42 46 A K - 0 0 79 -4,-0.1 -4,-1.8 2,-0.0 -1,-0.3 -0.880 59.9-134.7-121.6 154.6 -15.3 55.3 7.7 43 47 A T - 0 0 3 -2,-0.3 417,-0.5 -6,-0.2 418,-0.4 -0.827 36.4-165.5-106.2 87.8 -12.0 54.5 9.4 44 48 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 415,-0.2 -0.335 26.6-108.5 -77.0 154.9 -9.8 53.7 6.5 45 49 A V - 0 0 16 413,-0.8 204,-0.1 412,-0.1 205,-0.1 -0.640 48.4-109.3 -74.9 132.4 -6.5 52.0 6.4 46 50 A L > - 0 0 14 -2,-0.4 4,-2.2 202,-0.4 5,-0.2 -0.216 17.5-126.3 -59.3 154.1 -3.9 54.7 5.6 47 51 A T H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.958 111.4 52.3 -69.0 -47.2 -2.3 54.7 2.1 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 110.8 51.0 -54.3 -36.9 1.3 54.7 3.5 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.935 107.2 50.1 -67.3 -49.1 0.2 51.7 5.7 50 54 A K H X S+ 0 0 51 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.926 114.0 48.0 -56.8 -41.8 -1.3 49.7 2.7 51 55 A K H X S+ 0 0 114 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.896 109.5 50.4 -64.9 -43.0 2.0 50.3 0.9 52 56 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.925 110.9 52.0 -62.6 -37.9 4.1 49.3 3.9 53 57 A E H X S+ 0 0 11 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.786 105.6 52.7 -66.5 -33.3 2.0 46.1 4.1 54 58 A Q H X S+ 0 0 84 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.939 108.5 52.3 -67.9 -45.4 2.5 45.2 0.5 55 59 A Y H X S+ 0 0 117 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.921 109.1 47.7 -53.9 -51.1 6.2 45.5 1.0 56 60 A L H X S+ 0 0 14 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.899 106.8 58.2 -61.4 -39.2 6.2 43.2 4.0 57 61 A L H < S+ 0 0 21 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.5 37.2 -58.0 -36.8 4.1 40.6 2.1 58 62 A E H < S+ 0 0 130 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.802 125.1 36.5 -85.8 -34.5 6.7 40.4 -0.5 59 63 A N H < S+ 0 0 88 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.616 85.3 102.9 -99.7 -15.1 9.8 40.7 1.5 60 64 A E < + 0 0 27 -4,-2.7 382,-0.1 -5,-0.2 3,-0.1 -0.562 35.8 173.0 -71.9 125.6 9.1 38.9 4.7 61 66 A T + 0 0 106 -2,-0.4 381,-0.8 1,-0.2 2,-0.3 0.564 60.8 24.5-107.9 -8.7 10.8 35.5 4.8 62 67 A T - 0 0 32 379,-0.2 -1,-0.2 2,-0.1 380,-0.1 -0.994 45.1-153.1-154.4 156.9 10.0 34.4 8.4 63 68 A K + 0 0 1 377,-0.5 586,-2.5 -2,-0.3 587,-0.2 0.143 48.0 151.1-111.2 11.4 7.7 34.8 11.3 64 69 A N - 0 0 27 376,-0.4 -2,-0.1 584,-0.2 368,-0.0 -0.130 58.3 -79.7 -48.7 140.0 10.5 33.9 13.8 65 70 A Y - 0 0 23 1,-0.1 -1,-0.1 222,-0.0 584,-0.1 -0.006 39.8-136.4 -44.0 138.6 10.1 35.5 17.2 66 71 A L - 0 0 36 220,-0.3 5,-0.1 1,-0.2 2,-0.1 -0.351 38.1 -88.6 -82.3 177.9 11.2 39.0 17.7 67 72 A G > - 0 0 38 3,-0.5 3,-2.7 -2,-0.1 -1,-0.2 -0.399 44.0 -94.8 -83.2 169.1 13.2 39.8 20.9 68 73 A I T 3 S+ 0 0 19 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.873 129.9 45.0 -51.0 -40.5 11.5 40.7 24.1 69 74 A D T 3 S- 0 0 47 1,-0.3 30,-2.3 29,-0.1 -1,-0.3 0.491 108.2-139.2 -86.5 1.1 11.9 44.3 23.3 70 75 A G < + 0 0 8 -3,-2.7 -3,-0.5 28,-0.2 -1,-0.3 -0.444 54.5 2.6 84.1-154.3 10.8 43.9 19.6 71 76 A I > - 0 0 30 -2,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.616 54.8-148.2 -79.9 122.6 12.3 45.5 16.5 72 77 A P H > S+ 0 0 81 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.864 97.7 52.9 -58.1 -44.1 15.4 47.7 17.0 73 78 A E H > S+ 0 0 81 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.878 106.8 57.1 -57.4 -40.3 14.7 50.1 14.1 74 79 A F H > S+ 0 0 1 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.910 108.3 43.3 -56.7 -47.9 11.3 50.5 15.7 75 80 A G H X S+ 0 0 8 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.906 114.3 52.2 -66.1 -41.3 12.8 51.6 19.1 76 81 A R H X S+ 0 0 132 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.933 110.1 46.5 -60.8 -49.0 15.3 53.8 17.3 77 82 A C H X S+ 0 0 19 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.850 111.1 53.7 -61.6 -38.2 12.7 55.6 15.2 78 83 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.897 104.7 54.0 -64.9 -43.0 10.5 56.1 18.3 79 84 A Q H X S+ 0 0 11 -4,-2.2 4,-2.9 1,-0.2 5,-0.5 0.896 110.3 46.4 -61.0 -39.2 13.3 57.7 20.3 80 85 A E H X S+ 0 0 59 -4,-1.6 4,-1.4 3,-0.2 -1,-0.2 0.849 112.4 50.6 -70.1 -35.4 13.8 60.3 17.5 81 86 A L H < S+ 0 0 4 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.954 120.1 36.7 -63.7 -49.5 10.1 60.9 17.2 82 87 A L H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.974 132.6 21.0 -63.9 -65.6 10.0 61.5 21.0 83 88 A F H < S- 0 0 7 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.565 110.3 -98.8 -90.2 -14.1 13.2 63.2 21.8 84 89 A G >< - 0 0 9 -4,-1.4 3,-1.8 -5,-0.5 6,-0.2 0.106 37.8 -80.2 102.4 140.7 14.4 64.8 18.5 85 90 A K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.778 124.8 26.6 -44.6 -46.1 16.9 63.7 15.9 86 91 A G T 3 S+ 0 0 64 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.102 87.1 152.2-114.6 30.2 20.1 64.8 17.6 87 92 A S <> - 0 0 26 -3,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.048 50.1-129.1 -54.4 154.0 19.1 64.6 21.2 88 93 A A H > S+ 0 0 51 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.818 105.6 64.3 -76.0 -31.5 21.5 64.0 24.0 89 94 A L H 4>S+ 0 0 5 1,-0.2 5,-2.4 2,-0.2 6,-0.6 0.891 109.0 43.4 -57.1 -37.8 19.5 61.2 25.5 90 95 A I H >45S+ 0 0 42 3,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.937 115.6 45.0 -72.8 -51.0 20.1 59.4 22.3 91 96 A N H 3<5S+ 0 0 113 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.912 116.2 46.9 -59.7 -44.8 23.8 60.2 22.0 92 97 A D T 3<5S- 0 0 97 -4,-3.5 173,-0.4 -5,-0.1 -1,-0.3 0.577 107.6-131.4 -74.6 -10.0 24.4 59.4 25.7 93 98 A K T < 5 + 0 0 90 -3,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.864 59.1 142.6 60.1 42.3 22.5 56.3 25.2 94 99 A R < + 0 0 38 -5,-2.4 168,-2.0 -6,-0.2 2,-0.3 0.367 50.6 73.9 -89.2 -4.2 20.3 56.9 28.3 95 100 A A E -B 261 0B 0 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.894 51.6-175.8-119.9 148.5 17.2 55.5 26.8 96 101 A R E -B 260 0B 50 164,-1.9 164,-2.5 -2,-0.3 2,-0.4 -0.993 12.7-156.0-139.2 133.9 15.9 52.0 26.0 97 102 A T E -B 259 0B 12 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.938 5.3-162.9-118.1 137.7 12.7 51.3 24.2 98 103 A A E -B 258 0B 0 160,-2.0 160,-2.6 -2,-0.4 2,-0.4 -0.965 23.1-129.3-114.5 133.2 10.5 48.2 24.3 99 104 A Q E -B 257 0B 2 -30,-2.3 158,-0.3 -2,-0.4 156,-0.0 -0.708 37.8-175.5 -78.3 132.0 7.9 47.7 21.6 100 105 A T E -B 256 0B 0 156,-2.4 2,-2.0 -2,-0.4 156,-1.6 -0.788 39.1 -88.5-127.6 169.7 4.6 46.8 23.3 101 106 A P S > S- 0 0 0 0, 0.0 4,-1.1 0, 0.0 154,-0.3 -0.542 93.1 -48.6 -79.9 82.0 1.0 45.8 22.4 102 107 A G H > S- 0 0 0 -2,-2.0 4,-1.0 152,-0.3 154,-0.3 -0.133 80.2 -65.5 83.6 177.0 -0.4 49.3 22.1 103 108 A G H > S+ 0 0 0 152,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.814 134.2 58.9 -72.0 -30.3 -0.0 52.3 24.4 104 109 A T H > S+ 0 0 0 576,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.926 104.3 49.3 -62.7 -45.8 -2.0 50.4 27.0 105 110 A G H X S+ 0 0 0 -4,-1.1 4,-1.9 575,-0.4 -1,-0.2 0.782 110.5 51.3 -63.4 -30.3 0.5 47.6 27.1 106 111 A A H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.894 109.0 49.7 -72.4 -41.6 3.2 50.1 27.5 107 112 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.951 114.4 46.2 -59.4 -51.3 1.4 51.7 30.4 108 113 A R H X S+ 0 0 3 -4,-2.8 4,-2.4 571,-0.4 5,-0.2 0.843 109.5 52.7 -62.2 -38.7 1.0 48.2 32.0 109 114 A V H X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.857 109.9 49.6 -67.5 -34.4 4.6 47.2 31.4 110 115 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.924 111.1 49.5 -66.5 -45.4 5.7 50.4 33.1 111 116 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 112.3 46.4 -57.7 -53.2 3.4 49.7 36.1 112 117 A D H X S+ 0 0 20 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.842 114.3 49.8 -60.3 -37.1 4.6 46.1 36.5 113 118 A F H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.949 112.8 44.0 -67.1 -52.6 8.1 47.3 36.2 114 119 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 6,-0.4 0.909 113.9 51.1 -56.7 -51.3 7.8 50.1 38.8 115 120 A A H < S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 117.2 38.3 -59.1 -37.8 5.9 47.9 41.2 116 121 A K H < S+ 0 0 147 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.716 126.6 28.8 -92.1 -21.2 8.3 45.2 41.1 117 122 A N H < S+ 0 0 35 -4,-1.8 2,-0.2 -5,-0.1 -2,-0.2 0.453 113.0 47.8-122.8 0.6 11.6 46.9 41.0 118 123 A T S < S- 0 0 25 -4,-2.0 281,-0.1 -5,-0.2 0, 0.0 -0.748 80.6-108.9-130.6-177.7 11.2 50.3 42.7 119 124 A S + 0 0 106 -2,-0.2 -4,-0.1 279,-0.2 -5,-0.1 0.247 67.9 137.5 -95.3 9.7 9.8 51.7 45.9 120 125 A V + 0 0 11 -6,-0.4 -2,-0.2 1,-0.2 53,-0.1 -0.358 18.5 163.6 -59.8 134.3 6.9 53.3 44.0 121 126 A K + 0 0 87 1,-0.3 22,-2.4 51,-0.2 2,-0.4 0.533 59.9 31.7-123.7 -29.0 3.7 52.9 45.9 122 129 A R E -c 143 0B 12 50,-0.2 52,-2.0 20,-0.2 2,-0.4 -0.970 55.2-155.4-141.0 151.3 1.5 55.5 44.3 123 133 A V E -cd 144 174B 0 20,-3.1 22,-1.8 -2,-0.4 2,-0.6 -0.980 18.0-138.1-122.7 133.3 0.8 57.2 40.9 124 134 A W E -cd 145 175B 5 50,-3.0 52,-2.9 -2,-0.4 2,-0.3 -0.812 23.5-178.3 -93.8 120.9 -0.8 60.6 40.5 125 135 A V E -c 146 0B 5 20,-2.7 22,-1.9 -2,-0.6 4,-0.1 -0.887 27.8-105.7-117.8 147.5 -3.3 61.0 37.7 126 136 A S E -c 147 0B 2 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.260 36.3 -99.2 -69.2 160.4 -5.2 64.1 36.6 127 137 A N E S+c 148 0B 85 20,-1.7 23,-1.1 1,-0.2 22,-0.5 -0.993 112.2 26.7-121.6 109.7 -8.8 64.7 37.3 128 138 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.660 91.3 146.3 -92.0 175.5 -10.2 64.1 34.9 129 139 A S - 0 0 21 -2,-0.1 -4,-0.0 -4,-0.1 -2,-0.0 -0.903 58.5 -62.1-149.4 176.6 -8.3 61.5 33.0 130 140 A W > - 0 0 2 53,-0.5 3,-2.4 -2,-0.3 4,-0.4 -0.545 50.7-131.7 -65.3 122.9 -8.7 58.5 30.7 131 141 A P T >> S+ 0 0 64 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.739 99.5 65.8 -51.1 -28.5 -10.7 56.0 32.9 132 142 A N H 3> S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.609 81.7 77.0 -76.1 -6.7 -8.4 53.1 32.1 133 143 A H H <> S+ 0 0 1 -3,-2.4 4,-2.0 2,-0.2 5,-0.3 0.956 95.4 48.4 -64.4 -44.6 -5.4 54.7 33.8 134 144 A K H <> S+ 0 0 110 -3,-0.5 4,-3.0 -4,-0.4 5,-0.4 0.963 110.9 51.5 -56.4 -53.7 -6.8 53.7 37.3 135 145 A S H X S+ 0 0 55 -4,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.870 108.9 48.4 -54.1 -46.1 -7.4 50.2 36.1 136 146 A V H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.926 116.3 42.6 -63.7 -47.0 -3.9 49.6 34.7 137 147 A F H ><>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 3,-1.6 0.939 111.9 51.8 -66.0 -47.6 -2.1 50.9 37.8 138 148 A N H ><5S+ 0 0 61 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.882 105.1 60.6 -56.2 -34.5 -4.4 49.2 40.3 139 149 A S H 3<5S+ 0 0 35 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.771 103.0 48.7 -65.6 -26.3 -3.7 46.1 38.4 140 150 A A T <<5S- 0 0 17 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.428 126.3 -99.4 -92.9 1.3 -0.1 46.3 39.1 141 151 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.649 78.5 136.4 93.6 15.5 -0.7 46.9 42.8 142 152 A L < - 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