==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAY-12 4F5L . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.A.ADDINGTON,A.J.FISHER,M.D.TONEY . 798 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.0 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 . 36 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 38.5 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 5 0 0 4 0 2 0 8 2 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 2 2 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 . 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 8 A H 0 0 152 0, 0.0 607,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 140.9 20.9 26.4 10.8 2 9 A V - 0 0 106 1,-0.1 2,-0.1 2,-0.0 573,-0.0 -0.351 360.0 -91.5 -72.7 154.7 21.2 25.5 14.5 3 10 A G - 0 0 19 1,-0.1 4,-0.3 -2,-0.1 -1,-0.1 -0.341 14.8-143.0 -71.7 144.4 22.7 22.2 15.6 4 11 A T S S+ 0 0 25 1,-0.2 518,-0.2 2,-0.1 3,-0.2 0.749 106.2 42.0 -70.4 -25.3 20.7 19.0 16.1 5 12 A F S > S+ 0 0 0 1,-0.1 3,-1.6 2,-0.1 -1,-0.2 0.542 88.0 94.9 -98.5 -9.2 23.0 18.2 19.1 6 13 A E T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.812 88.9 39.4 -59.0 -35.2 23.2 21.6 20.6 7 14 A N T 3 S+ 0 0 140 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.278 81.2 125.7-105.3 13.6 20.4 21.2 23.2 8 15 A I < - 0 0 8 -3,-1.6 2,-0.3 662,-0.0 666,-0.1 -0.538 55.6-137.5 -67.6 131.1 21.1 17.7 24.2 9 16 A T - 0 0 110 -2,-0.3 -2,-0.1 511,-0.1 -1,-0.0 -0.739 24.8-103.0 -91.3 141.6 21.5 17.5 28.0 10 17 A A - 0 0 49 -2,-0.3 663,-0.1 1,-0.1 664,-0.1 -0.313 35.5-113.1 -61.1 140.5 24.3 15.4 29.4 11 18 A A - 0 0 21 662,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.433 46.7 -90.7 -64.0 150.6 23.2 12.0 30.8 12 19 A P - 0 0 125 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.408 52.5 -96.8 -64.0 146.5 23.7 12.0 34.6 13 20 A A - 0 0 93 1,-0.1 3,-0.1 -3,-0.1 663,-0.0 -0.330 33.5-113.8 -66.0 144.2 27.2 10.7 35.6 14 21 A D > - 0 0 66 1,-0.2 4,-2.0 -3,-0.1 3,-0.4 -0.718 21.7-155.0 -80.8 111.6 27.4 7.0 36.5 15 22 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.803 91.9 55.1 -59.2 -31.3 28.4 7.0 40.2 16 23 A I H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 106.3 49.4 -70.9 -39.4 30.0 3.6 39.9 17 24 A L H > S+ 0 0 84 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.896 111.2 51.7 -64.1 -38.9 32.3 4.7 37.1 18 25 A G H X S+ 0 0 28 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.885 107.9 51.0 -63.1 -39.4 33.2 7.7 39.3 19 26 A L H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.889 108.6 51.4 -66.4 -39.1 34.0 5.4 42.2 20 27 A A H X S+ 0 0 27 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.868 109.5 51.4 -64.5 -35.8 36.2 3.3 39.9 21 28 A D H X S+ 0 0 79 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.949 110.2 47.8 -62.1 -50.8 38.0 6.6 38.9 22 29 A L H X S+ 0 0 79 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.879 110.0 54.0 -57.6 -40.7 38.5 7.5 42.6 23 30 A F H >< S+ 0 0 43 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.923 107.8 49.2 -60.5 -45.9 39.8 4.0 43.2 24 31 A R H 3< S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 111.7 48.5 -63.8 -34.7 42.4 4.4 40.5 25 32 A A H 3< S+ 0 0 78 -4,-1.9 2,-0.7 -5,-0.1 -1,-0.2 0.603 87.3 102.4 -81.3 -11.2 43.6 7.7 41.7 26 33 A D << - 0 0 18 -4,-0.9 5,-0.1 -3,-0.7 -4,-0.0 -0.643 51.9-171.9 -78.4 110.8 43.9 6.4 45.3 27 34 A E + 0 0 192 -2,-0.7 -1,-0.1 2,-0.0 -4,-0.0 0.417 42.8 121.6 -87.4 2.1 47.6 5.8 45.9 28 35 A R > - 0 0 91 1,-0.1 3,-1.0 2,-0.1 -2,-0.1 -0.460 58.9-142.4 -71.1 135.9 47.1 4.0 49.2 29 36 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.722 92.2 58.9 -72.0 -22.7 48.6 0.5 49.3 30 37 A G T 3 S+ 0 0 54 2,-0.0 -2,-0.1 360,-0.0 338,-0.0 0.276 73.1 138.2 -93.9 13.1 45.9 -1.1 51.4 31 38 A K < - 0 0 62 -3,-1.0 2,-0.4 -5,-0.1 339,-0.2 -0.229 31.5-168.0 -66.2 144.0 42.9 -0.4 49.2 32 39 A V E -a 370 0A 11 337,-2.5 339,-3.2 336,-0.1 2,-0.9 -0.991 9.9-152.1-133.5 124.0 40.2 -3.0 48.7 33 40 A D E > +a 371 0A 27 -2,-0.4 3,-0.5 337,-0.2 339,-0.1 -0.803 25.7 162.0-102.2 98.3 37.5 -2.8 46.0 34 41 A L T 3 + 0 0 2 337,-2.5 345,-1.6 -2,-0.9 339,-0.2 0.353 67.2 77.9 -87.3 5.4 34.4 -4.6 47.0 35 42 A G T 3 + 0 0 8 336,-0.4 -1,-0.2 337,-0.2 337,-0.1 0.486 65.6 119.1 -93.8 -2.3 32.4 -2.7 44.4 36 43 A V < - 0 0 21 -3,-0.5 345,-0.1 335,-0.2 346,-0.1 -0.187 55.8-146.5 -67.7 157.1 33.6 -4.6 41.4 37 44 A G + 0 0 34 2,-0.1 2,-0.3 342,-0.0 -1,-0.1 0.229 69.9 61.7-111.3 13.4 31.1 -6.4 39.2 38 45 A V S S- 0 0 10 312,-0.1 2,-0.2 341,-0.1 343,-0.1 -0.809 88.3 -83.5-132.9 168.9 33.1 -9.5 38.0 39 46 A Y - 0 0 15 -2,-0.3 2,-0.3 210,-0.1 -2,-0.1 -0.491 40.1-171.4 -70.5 143.7 34.9 -12.5 39.5 40 47 A K - 0 0 52 -2,-0.2 6,-0.2 6,-0.1 343,-0.1 -0.994 13.7-135.3-133.0 148.3 38.4 -12.1 40.9 41 48 A D > - 0 0 24 4,-2.9 3,-1.8 -2,-0.3 276,-0.0 -0.099 44.3 -79.0 -88.5-171.2 40.7 -14.9 42.0 42 49 A E T 3 S+ 0 0 113 1,-0.3 344,-0.2 2,-0.1 -1,-0.1 0.660 130.5 53.0 -69.5 -12.8 42.9 -15.0 45.1 43 50 A T T 3 S- 0 0 80 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.389 120.3-105.5 -98.3 0.8 45.5 -12.7 43.5 44 51 A G S < S+ 0 0 39 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.629 79.3 128.0 86.1 14.6 43.0 -10.0 42.6 45 52 A K - 0 0 130 420,-0.0 -4,-2.9 1,-0.0 -1,-0.3 -0.709 58.5-141.9-105.0 155.2 42.9 -10.9 38.9 46 53 A T - 0 0 14 -2,-0.3 420,-0.5 -6,-0.2 421,-0.4 -0.826 41.2-164.4-107.8 84.1 40.0 -11.7 36.5 47 54 A P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 419,-0.2 -0.164 25.7-109.1 -75.4 164.2 41.8 -14.4 34.6 48 55 A V - 0 0 17 416,-0.4 204,-0.1 415,-0.1 205,-0.1 -0.801 48.6-110.7 -79.4 129.4 41.0 -16.1 31.3 49 56 A M > - 0 0 11 -2,-0.5 4,-2.3 202,-0.5 3,-0.3 -0.329 16.7-123.8 -63.1 146.6 39.9 -19.6 32.1 50 57 A T H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 113.5 53.7 -56.8 -44.9 42.3 -22.4 31.2 51 58 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 107.9 52.0 -58.8 -35.9 39.5 -24.1 29.2 52 59 A V H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.923 108.0 49.0 -68.3 -45.2 39.0 -20.8 27.3 53 60 A K H X S+ 0 0 48 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.927 112.8 49.4 -59.2 -43.9 42.7 -20.4 26.4 54 61 A K H X S+ 0 0 99 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.920 111.7 47.7 -61.6 -43.5 42.7 -24.0 25.1 55 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.901 110.2 52.9 -64.5 -40.1 39.6 -23.5 23.1 56 63 A E H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.880 107.9 50.9 -63.0 -38.7 41.0 -20.2 21.6 57 64 A Q H X S+ 0 0 95 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.917 109.8 50.8 -62.5 -42.5 44.1 -22.1 20.5 58 65 A Y H X S+ 0 0 115 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.922 110.7 48.3 -62.4 -43.2 42.0 -24.7 18.9 59 66 A L H X S+ 0 0 25 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.900 109.3 52.5 -64.4 -40.8 40.0 -22.1 17.0 60 67 A L H < S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 114.4 43.9 -60.9 -37.8 43.1 -20.3 15.8 61 68 A E H < S+ 0 0 122 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.773 125.2 30.8 -76.6 -28.1 44.4 -23.6 14.5 62 69 A N H < S+ 0 0 79 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.810 87.5 101.9-104.0 -38.5 41.2 -24.7 12.9 63 70 A E < + 0 0 39 -4,-2.8 385,-0.1 -5,-0.2 3,-0.1 -0.256 32.8 171.2 -62.4 131.7 39.2 -21.7 11.7 64 71 A T + 0 0 112 1,-0.2 384,-0.4 383,-0.1 2,-0.3 0.410 63.2 25.5-119.0 -1.3 39.4 -21.0 7.9 65 72 A T - 0 0 46 382,-0.2 -1,-0.2 2,-0.1 383,-0.1 -0.988 43.4-160.6-156.3 153.8 36.7 -18.3 7.6 66 73 A K + 0 0 0 380,-0.5 589,-2.7 -2,-0.3 590,-0.2 0.017 44.9 148.5-119.4 24.8 34.9 -15.5 9.5 67 74 A T - 0 0 46 379,-0.4 -2,-0.1 587,-0.2 381,-0.0 -0.151 57.5 -78.7 -56.2 153.6 32.0 -15.3 7.0 68 75 A Y - 0 0 67 1,-0.1 2,-0.2 586,-0.0 -1,-0.1 -0.190 39.9-155.2 -56.7 141.6 28.6 -14.3 8.5 69 76 A L - 0 0 57 1,-0.2 219,-0.1 220,-0.2 5,-0.1 -0.451 37.1 -77.8 -94.8-177.3 26.5 -16.8 10.3 70 77 A G > - 0 0 37 3,-0.5 3,-1.9 -2,-0.2 -1,-0.2 -0.115 48.4 -89.8 -76.2 177.4 22.7 -16.4 10.6 71 78 A L T 3 S+ 0 0 31 1,-0.3 -1,-0.1 217,-0.2 -2,-0.0 0.768 127.8 51.8 -61.0 -27.1 20.7 -14.1 12.9 72 79 A D T 3 S- 0 0 54 1,-0.3 30,-2.4 29,-0.1 -1,-0.3 0.422 102.5-145.3 -91.6 0.0 20.6 -16.8 15.5 73 80 A G < + 0 0 4 -3,-1.9 -3,-0.5 28,-0.2 -1,-0.3 -0.400 55.8 8.6 77.1-147.3 24.4 -17.4 15.5 74 81 A L >> - 0 0 40 1,-0.2 4,-1.8 -2,-0.1 3,-0.6 -0.595 58.5-151.8 -82.3 116.1 26.2 -20.7 16.0 75 82 A P H 3> S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.896 95.1 53.6 -54.0 -43.8 23.8 -23.7 16.0 76 83 A E H 3> S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 106.6 53.3 -61.6 -35.0 26.0 -25.8 18.3 77 84 A F H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.913 108.1 50.8 -64.2 -41.3 26.1 -23.0 20.8 78 85 A G H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.934 112.2 46.3 -61.9 -44.6 22.3 -22.8 20.8 79 86 A R H X S+ 0 0 134 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 113.1 48.4 -63.5 -45.3 22.1 -26.6 21.4 80 87 A C H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.899 111.4 51.2 -64.0 -39.1 24.7 -26.6 24.2 81 88 A T H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.951 109.6 49.9 -60.3 -49.4 23.0 -23.6 25.9 82 89 A Q H X S+ 0 0 26 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.881 109.9 50.9 -59.9 -37.4 19.7 -25.4 25.8 83 90 A E H X S+ 0 0 87 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.920 110.3 48.7 -68.1 -41.1 21.2 -28.6 27.3 84 91 A L H < S+ 0 0 13 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.915 118.7 40.7 -60.6 -44.6 22.8 -26.6 30.1 85 92 A L H < S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.943 129.4 23.1 -69.6 -51.1 19.5 -24.8 30.8 86 93 A F H < S- 0 0 10 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.627 102.5-130.4-100.8 -16.3 16.9 -27.6 30.5 87 94 A G >< - 0 0 4 -4,-1.9 3,-1.0 -5,-0.5 6,-0.1 0.074 34.7 -54.6 89.1 160.3 19.1 -30.7 31.1 88 95 A K T 3 S+ 0 0 183 1,-0.2 -5,-0.0 -4,-0.1 5,-0.0 -0.430 124.0 25.8 -64.6 146.0 19.5 -33.9 29.3 89 96 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.749 80.4 167.1 69.7 24.9 16.3 -35.8 28.7 90 97 A S <> - 0 0 18 -3,-1.0 4,-2.5 1,-0.2 -1,-0.2 -0.602 32.2-151.3 -71.9 125.6 14.2 -32.6 28.8 91 98 A A H > S+ 0 0 66 -2,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.864 97.9 58.4 -63.2 -34.8 10.7 -33.4 27.4 92 99 A L H 4>S+ 0 0 9 2,-0.2 5,-2.1 1,-0.2 6,-0.3 0.918 109.3 42.1 -61.3 -46.6 10.5 -29.8 26.3 93 100 A I H >45S+ 0 0 42 1,-0.2 3,-1.9 3,-0.2 -2,-0.2 0.910 111.8 55.0 -66.6 -42.9 13.6 -30.2 24.1 94 101 A N H 3<5S+ 0 0 101 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.859 105.4 53.8 -59.1 -34.7 12.4 -33.6 22.9 95 102 A D T 3<5S- 0 0 102 -4,-2.1 173,-0.4 -5,-0.2 -1,-0.3 0.352 112.7-120.6 -83.2 5.8 9.2 -32.0 21.8 96 103 A K T < 5 + 0 0 128 -3,-1.9 -3,-0.2 1,-0.1 175,-0.1 0.804 69.2 137.4 64.5 30.9 11.1 -29.4 19.7 97 104 A R < + 0 0 34 -5,-2.1 168,-2.0 169,-0.1 2,-0.4 0.513 46.9 74.9 -90.0 -5.5 9.5 -26.6 21.7 98 105 A A E -B 264 0B 8 -6,-0.3 2,-0.4 166,-0.2 166,-0.2 -0.867 48.4-179.9-114.5 141.4 12.6 -24.4 22.2 99 106 A R E -B 263 0B 50 164,-2.3 164,-2.9 -2,-0.4 2,-0.4 -0.996 12.2-159.9-133.5 143.0 14.6 -22.1 19.9 100 107 A T E -B 262 0B 13 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.972 8.6-162.2-127.4 131.3 17.7 -20.2 20.9 101 108 A A E -B 261 0B 0 160,-2.8 160,-2.6 -2,-0.4 -28,-0.2 -0.969 24.2-130.8-105.3 123.0 19.3 -17.1 19.4 102 109 A Q E -B 260 0B 1 -30,-2.4 158,-0.3 -2,-0.5 156,-0.1 -0.512 37.6-175.4 -60.8 138.3 22.9 -16.5 20.4 103 110 A T E -B 259 0B 0 156,-2.5 2,-1.8 -2,-0.2 156,-1.4 -0.891 39.6 -85.8-137.7 164.6 23.1 -12.8 21.4 104 111 A P S > S- 0 0 0 0, 0.0 4,-1.6 0, 0.0 154,-0.3 -0.543 95.2 -48.7 -75.4 85.5 25.7 -10.2 22.5 105 112 A G H > S- 0 0 0 -2,-1.8 4,-1.8 152,-0.5 154,-0.4 0.057 79.6 -66.3 77.0 174.0 25.6 -11.2 26.2 106 113 A G H > S+ 0 0 0 152,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.828 135.9 61.3 -62.2 -31.8 22.7 -11.7 28.5 107 114 A S H > S+ 0 0 1 579,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.953 103.6 47.2 -59.6 -51.2 22.1 -7.9 28.0 108 115 A G H X S+ 0 0 0 -4,-1.6 4,-2.6 578,-0.4 -1,-0.2 0.875 110.1 54.2 -56.9 -39.6 21.6 -8.4 24.3 109 116 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.905 108.2 48.6 -61.4 -42.8 19.2 -11.3 25.0 110 117 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.908 113.1 46.8 -66.1 -41.3 17.1 -9.1 27.3 111 118 A R H X S+ 0 0 5 -4,-2.3 4,-2.8 574,-0.4 5,-0.2 0.909 112.3 49.7 -66.8 -41.7 16.9 -6.3 24.7 112 119 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.935 112.3 48.5 -61.8 -44.3 16.1 -8.8 21.9 113 120 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.937 112.1 49.7 -60.0 -45.3 13.3 -10.3 24.1 114 121 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.931 113.2 44.4 -60.0 -47.2 12.0 -6.8 24.9 115 122 A D H X S+ 0 0 12 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.917 113.8 51.1 -66.0 -43.0 11.9 -5.7 21.2 116 123 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.936 113.2 45.0 -57.1 -48.0 10.3 -9.1 20.2 117 124 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 6,-0.4 0.916 112.4 51.0 -65.3 -43.7 7.6 -8.8 22.9 118 125 A A H < S+ 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.856 118.2 36.9 -63.8 -35.2 6.8 -5.1 22.2 119 126 A K H < S+ 0 0 155 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.684 128.2 29.2 -93.4 -18.1 6.4 -5.6 18.4 120 127 A N H < S+ 0 0 42 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.470 113.0 45.9-125.6 -5.0 4.7 -9.1 18.3 121 128 A T S < S- 0 0 24 -4,-1.9 284,-0.1 -5,-0.2 283,-0.1 -0.819 75.8-114.1-135.3 171.9 2.7 -9.5 21.5 122 129 A S + 0 0 86 -2,-0.3 2,-0.1 282,-0.2 -4,-0.1 0.246 65.0 137.1 -90.7 11.9 0.2 -7.7 23.8 123 130 A V + 0 0 6 -6,-0.4 -2,-0.1 1,-0.2 53,-0.1 -0.404 19.7 166.4 -63.1 129.0 2.7 -7.6 26.7 124 131 A K + 0 0 126 1,-0.3 22,-2.3 -2,-0.1 2,-0.4 0.648 57.4 40.3-111.8 -26.8 2.5 -4.2 28.3 125 132 A R E -c 146 0B 62 20,-0.2 52,-2.5 50,-0.1 2,-0.4 -0.967 53.8-160.7-135.6 142.2 4.4 -4.7 31.6 126 133 A V E -cd 147 177B 0 20,-2.6 22,-2.4 -2,-0.4 2,-0.5 -0.995 17.8-147.5-120.8 126.7 7.5 -6.5 32.9 127 134 A W E +cd 148 178B 2 50,-2.6 52,-3.0 -2,-0.4 2,-0.3 -0.845 19.5 178.7 -98.9 128.5 7.8 -7.2 36.6 128 135 A V E -c 149 0B 4 20,-2.8 22,-2.4 -2,-0.5 52,-0.1 -0.906 30.9 -98.5-126.4 156.1 11.2 -7.2 38.2 129 136 A S E -c 150 0B 0 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.309 42.3 -98.5 -70.5 152.1 12.4 -7.7 41.8 130 137 A N E S+c 151 0B 91 20,-1.7 23,-1.1 1,-0.1 22,-0.5 -0.943 115.8 25.6-106.1 107.0 13.2 -4.8 44.1 131 138 A P S S+ 0 0 24 0, 0.0 2,-0.2 0, 0.0 57,-0.2 0.593 90.5 152.1 -90.1 172.6 16.2 -4.8 43.9 132 139 A T - 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