==== 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(AMINOTRANSFERASE) 26-JAN-93 1SPA . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.HINOUE,T.YANO,D.E.METZLER,I.MIYAHARA,K.HIROTSU,H.KAGAMIYAM . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 73.0 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 . 24 6.1 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 . 27 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 2 2 1 1 1 1 2 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 . 1 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 1 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 5 A M 0 0 226 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.5 40.7 13.2 15.7 2 6 A F > + 0 0 164 1,-0.1 3,-1.7 3,-0.1 0, 0.0 0.262 360.0 109.8-120.7 6.5 39.1 15.2 12.9 3 7 A E T 3 S+ 0 0 174 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.836 87.0 42.0 -68.2 -27.7 40.1 18.9 13.4 4 8 A N T 3 S+ 0 0 155 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 -0.109 81.1 136.3-106.1 44.0 42.3 19.1 10.4 5 9 A I < - 0 0 117 -3,-1.7 2,-0.3 1,-0.0 -3,-0.1 -0.737 54.3-130.0 -85.1 128.3 40.0 17.1 8.1 6 10 A T - 0 0 123 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.618 24.2-109.3 -72.6 136.9 39.9 18.9 4.9 7 11 A A - 0 0 86 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.320 34.0-106.8 -67.0 152.8 36.4 19.6 3.5 8 12 A A - 0 0 86 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.592 39.7-111.4 -78.7 140.5 35.3 17.6 0.5 9 13 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.006 40.3 -81.5 -58.7 174.0 35.2 19.6 -2.8 10 14 A A - 0 0 91 4,-0.0 3,-0.1 5,-0.0 0, 0.0 -0.647 37.3-140.1 -80.0 137.6 32.1 20.6 -4.6 11 15 A D > - 0 0 68 -2,-0.3 4,-2.1 1,-0.1 5,-0.3 -0.931 24.8-121.1 -95.4 132.5 30.7 17.8 -6.8 12 16 A P H > S+ 0 0 72 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.840 102.1 31.4 -42.4 -75.1 29.5 19.4 -10.1 13 17 A I H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 19,-0.1 0.908 117.0 58.4 -52.4 -45.5 25.8 18.6 -10.4 14 18 A L H > S+ 0 0 108 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.922 107.9 44.2 -53.8 -52.0 25.2 18.6 -6.6 15 19 A G H X S+ 0 0 24 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.890 110.2 55.2 -63.2 -39.4 26.4 22.2 -6.1 16 20 A L H X S+ 0 0 17 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.899 98.6 65.4 -62.1 -38.9 24.5 23.4 -9.1 17 21 A A H >X S+ 0 0 32 -4,-2.2 4,-2.3 1,-0.2 3,-0.5 0.942 107.9 35.0 -54.1 -55.9 21.3 22.0 -7.7 18 22 A D H 3< S+ 0 0 82 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 111.9 60.8 -78.3 -17.0 21.1 24.2 -4.6 19 23 A L H 3< S+ 0 0 73 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.3 0.852 106.9 49.3 -66.7 -32.3 22.6 27.2 -6.5 20 24 A F H X< S+ 0 0 41 -4,-2.2 3,-2.6 -3,-0.5 2,-2.3 0.961 104.7 59.7 -66.4 -52.0 19.5 26.6 -8.6 21 25 A R T 3< S+ 0 0 192 -4,-2.3 -1,-0.2 1,-0.3 3,-0.0 -0.488 97.7 57.5 -90.9 74.4 17.4 26.6 -5.5 22 26 A A T 3 S+ 0 0 76 -2,-2.3 2,-1.5 -3,-0.3 -1,-0.3 0.006 75.6 115.8-165.2 -13.1 18.3 29.9 -4.4 23 27 A D < - 0 0 35 -3,-2.6 5,-0.2 1,-0.2 -3,-0.0 -0.491 49.2-163.2 -87.5 97.3 17.1 31.6 -7.6 24 28 A E + 0 0 145 -2,-1.5 -1,-0.2 1,-0.1 -3,-0.1 0.494 69.1 87.7 -43.8 -12.2 14.3 33.9 -6.7 25 29 A R > - 0 0 157 1,-0.1 3,-1.7 2,-0.0 -1,-0.1 -0.846 63.7-160.1-103.3 107.6 13.2 34.1 -10.3 26 30 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.291 81.4 81.4 -74.5 12.7 10.8 31.2 -11.2 27 31 A G T 3 S+ 0 0 60 2,-0.1 -2,-0.0 360,-0.0 339,-0.0 0.534 72.7 120.7 -83.5 -11.5 11.5 31.6 -14.9 28 32 A K < - 0 0 47 -3,-1.7 2,-0.4 -5,-0.2 339,-0.2 -0.067 52.0-154.5 -55.0 149.4 14.6 29.5 -14.2 29 33 A I E -a 367 0A 8 337,-1.9 339,-2.9 358,-0.0 2,-1.0 -0.998 6.0-150.7-132.1 122.6 15.3 26.2 -15.8 30 34 A N E > +a 368 0A 26 -2,-0.4 3,-0.6 337,-0.2 339,-0.1 -0.773 27.0 161.5 -98.4 96.8 17.5 23.5 -14.2 31 35 A L T 3 + 0 0 1 337,-2.0 345,-1.4 -2,-1.0 3,-0.3 0.442 63.5 77.8 -88.7 5.5 19.0 21.6 -17.1 32 36 A G T 3 + 0 0 0 336,-0.6 -1,-0.2 337,-0.2 -15,-0.1 0.485 64.2 112.5 -90.3 6.0 21.7 20.2 -14.8 33 37 A I < - 0 0 25 -3,-0.6 -1,-0.2 335,-0.2 -2,-0.1 0.668 52.6-160.4 -60.2 -35.9 19.4 17.6 -13.3 34 38 A G + 0 0 10 -3,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.432 63.7 89.2 73.0 -10.9 20.5 14.1 -14.2 35 39 A V S S- 0 0 37 312,-0.1 2,-0.2 341,-0.1 -1,-0.1 -0.803 86.3 -98.7-116.9 156.1 17.1 12.5 -13.4 36 40 A Y - 0 0 13 -2,-0.3 2,-0.3 -3,-0.1 343,-0.0 -0.525 38.4-170.5 -72.1 148.5 14.2 12.1 -15.8 37 41 A K - 0 0 47 -2,-0.2 6,-0.2 6,-0.1 343,-0.1 -0.972 14.3-133.0-131.3 147.1 11.4 14.7 -15.6 38 42 A D > - 0 0 40 4,-2.5 3,-2.6 -2,-0.3 4,-0.2 -0.378 45.9 -78.9 -88.8-172.6 8.0 14.6 -17.4 39 43 A E T 3 S+ 0 0 92 1,-0.3 344,-0.2 2,-0.1 -1,-0.1 0.586 132.4 57.9 -61.3 -11.0 6.3 17.5 -19.4 40 44 A T T 3 S- 0 0 95 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.542 118.0-111.8 -88.0 -17.4 5.2 18.8 -15.9 41 45 A G S < S+ 0 0 33 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.836 78.8 121.0 84.2 38.7 8.8 19.1 -14.7 42 46 A K - 0 0 130 -4,-0.2 -4,-2.5 0, 0.0 -1,-0.3 -0.935 64.7-133.5-135.1 154.3 8.3 16.3 -12.2 43 47 A T - 0 0 50 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.787 37.1-165.5-105.8 87.8 9.9 12.9 -11.6 44 48 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.097 24.4-114.6 -70.4 163.3 6.7 10.8 -11.0 45 49 A V - 0 0 71 205,-0.1 204,-0.1 1,-0.0 205,-0.1 -0.884 47.5-105.4 -97.8 131.3 6.7 7.3 -9.6 46 50 A L > - 0 0 14 -2,-0.5 4,-2.5 202,-0.4 5,-0.2 -0.276 15.2-126.9 -57.0 146.9 5.6 5.0 -12.4 47 51 A T H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.938 110.9 55.0 -58.3 -45.7 2.1 3.5 -12.3 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 109.0 46.0 -57.2 -34.8 3.5 0.1 -12.7 49 53 A V H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.923 110.3 53.5 -84.1 -34.2 5.8 0.5 -9.7 50 54 A K H X S+ 0 0 118 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.938 112.0 46.6 -55.9 -41.1 2.9 1.9 -7.6 51 55 A K H X S+ 0 0 107 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.938 111.5 50.3 -64.6 -43.1 0.9 -1.2 -8.6 52 56 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.921 110.6 50.2 -68.4 -36.0 3.9 -3.4 -7.7 53 57 A E H X S+ 0 0 44 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.836 107.8 51.1 -71.3 -31.9 4.2 -1.6 -4.3 54 58 A Q H X S+ 0 0 105 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.957 111.9 51.4 -66.8 -39.5 0.4 -2.0 -3.4 55 59 A Y H X S+ 0 0 112 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.909 111.4 44.0 -59.0 -43.5 1.0 -5.6 -4.3 56 60 A L H X S+ 0 0 10 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.907 110.4 55.4 -73.7 -37.2 4.1 -6.0 -2.0 57 61 A L H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.3 43.5 -60.8 -34.0 2.4 -4.2 0.8 58 62 A E H < S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.879 124.5 32.8 -77.3 -37.6 -0.4 -6.7 0.5 59 63 A N H < S+ 0 0 94 -4,-2.4 2,-0.2 -5,-0.2 -2,-0.2 0.625 83.3 105.6-101.5 -15.1 1.8 -9.7 0.2 60 64 A E < + 0 0 66 -4,-3.2 3,-0.1 1,-0.2 -4,-0.0 -0.517 32.1 172.5 -71.7 135.2 5.1 -9.3 2.2 61 66 A T + 0 0 143 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.548 65.1 22.4-109.9 -10.8 5.1 -11.3 5.4 62 67 A T - 0 0 91 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.943 49.3-154.0-151.8 153.1 8.6 -10.8 6.6 63 68 A K + 0 0 167 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 -0.140 50.0 148.1-114.2 28.5 11.3 -8.2 6.1 64 69 A N - 0 0 112 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.303 57.0 -75.4 -62.7 151.5 13.9 -10.9 6.8 65 70 A Y - 0 0 174 1,-0.1 2,-0.2 220,-0.0 -1,-0.1 -0.007 37.8-132.8 -51.3 143.1 17.2 -10.5 5.0 66 71 A L - 0 0 43 220,-0.3 2,-0.1 1,-0.1 5,-0.1 -0.435 39.0 -91.9 -81.1 167.3 17.8 -11.3 1.4 67 72 A G > - 0 0 43 3,-0.4 3,-2.5 -2,-0.2 -1,-0.1 -0.429 49.3 -93.2 -69.7 161.4 20.8 -13.4 0.6 68 73 A I T 3 S+ 0 0 45 1,-0.3 3,-0.1 217,-0.2 -1,-0.1 0.817 129.0 48.1 -47.7 -37.8 24.0 -11.3 -0.3 69 74 A D T 3 S- 0 0 43 1,-0.2 30,-2.5 29,-0.1 -1,-0.3 0.450 110.2-131.6 -89.1 -1.3 23.1 -11.5 -3.9 70 75 A G < - 0 0 6 -3,-2.5 -3,-0.4 28,-0.2 -1,-0.2 -0.314 53.7 -7.5 91.2-161.8 19.5 -10.4 -3.4 71 76 A I >> - 0 0 35 1,-0.2 4,-1.6 -5,-0.1 3,-0.6 -0.557 60.7-142.4 -82.9 129.4 16.2 -11.7 -4.6 72 77 A P H 3> S+ 0 0 103 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.879 97.7 56.5 -60.8 -43.3 16.8 -14.5 -7.2 73 78 A E H 3> S+ 0 0 60 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.855 105.9 54.0 -57.1 -35.1 13.9 -13.6 -9.6 74 79 A F H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -1,-0.3 0.951 109.1 47.3 -63.4 -48.0 15.5 -10.2 -9.7 75 80 A G H X S+ 0 0 9 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.948 112.6 48.6 -56.5 -49.7 18.8 -11.7 -10.8 76 81 A R H X S+ 0 0 120 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.903 112.1 49.5 -60.7 -39.2 17.3 -13.9 -13.4 77 82 A C H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.887 108.2 52.1 -73.7 -33.9 15.2 -11.0 -14.8 78 83 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.894 108.4 53.2 -72.0 -33.4 18.2 -8.7 -15.1 79 84 A Q H X S+ 0 0 13 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.886 109.3 47.0 -63.8 -40.6 20.1 -11.4 -17.0 80 85 A E H X S+ 0 0 39 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.935 114.0 48.4 -65.5 -43.6 17.3 -11.8 -19.5 81 86 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 120.1 38.1 -61.3 -40.0 17.1 -8.1 -20.0 82 87 A L H < S+ 0 0 1 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.955 130.7 23.4 -75.7 -50.5 20.8 -7.8 -20.3 83 88 A F H < S- 0 0 9 -4,-2.7 -3,-0.2 -5,-0.2 6,-0.2 0.451 112.8-100.0 -98.4 -8.3 21.8 -10.9 -22.3 84 89 A G >< - 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0 0 4 -168,-1.9 -25,-0.1 -2,-0.4 6,-0.1 -0.908 49.6 -89.1-138.2 175.0 33.1 -16.2 -16.5 263 275 A A S S- 0 0 42 -2,-0.3 2,-0.3 1,-0.0 -169,-0.1 0.769 102.4 -5.8 -59.2 -33.2 34.0 -19.0 -18.9 264 276 A D S > S- 0 0 71 -170,-0.1 4,-3.0 -171,-0.1 5,-0.2 -0.943 79.5 -93.8-153.6 169.4 31.8 -21.6 -17.3 265 277 A S H > S+ 0 0 47 -173,-0.5 4,-2.9 -2,-0.3 5,-0.3 0.877 117.5 58.7 -61.1 -41.7 29.6 -22.0 -14.3 266 278 A E H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.936 113.9 38.7 -57.1 -46.0 32.3 -23.6 -12.1 267 279 A T H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.964 113.5 54.3 -72.7 -41.0 34.5 -20.5 -12.5 268 280 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.3 -2,-0.2 0.896 109.7 49.6 -63.0 -33.6 31.6 -18.0 -12.4 269 281 A D H X S+ 0 0 73 -4,-2.9 4,-2.1 1,-0.2 -1,-0.3 0.857 110.8 48.6 -69.9 -33.5 30.5 -19.5 -9.0 270 282 A R H X S+ 0 0 137 -4,-1.4 4,-0.9 -3,-0.4 -1,-0.2 0.896 114.7 43.0 -79.2 -37.3 33.9 -19.3 -7.5 271 283 A A H >X S+ 0 0 28 -4,-2.4 4,-1.9 2,-0.2 3,-1.1 0.952 112.0 56.5 -69.0 -44.8 34.5 -15.7 -8.6 272 284 A F H 3X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.880 98.8 60.2 -55.1 -40.1 30.9 -14.8 -7.4 273 285 A S H 3X S+ 0 0 57 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.895 107.8 44.9 -52.7 -38.9 31.7 -16.2 -3.9 274 286 A Q H X>S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 3,-1.4 0.903 108.6 56.6 -63.6 -43.4 29.3 -7.3 -0.6 280 292 A R H 3<5S+ 0 0 156 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.924 109.6 44.2 -53.6 -43.4 29.3 -8.8 2.9 281 293 A A T 3<5S+ 0 0 93 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.482 119.3 45.9 -83.3 -3.6 32.1 -6.5 4.0 282 294 A N T <45S- 0 0 72 -3,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.673 139.8 -25.2-105.6 -79.1 30.4 -3.6 2.4 283 295 A Y T <5S- 0 0 59 -4,-1.2 2,-2.0 1,-0.1 -3,-0.2 0.332 76.3-130.3-125.4 12.1 26.6 -3.5 3.2 284 296 A S S - 0 0 52 0, 0.0 4,-0.7 0, 0.0 5,-0.1 -0.442 34.2-156.2 -63.0 123.6 17.7 -3.4 -0.1 288 300 A A H > S+ 0 0 37 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.893 71.2 70.4 -77.5 -29.8 14.7 -5.5 -0.9 289 301 A H H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 100.7 35.5 -62.1 -58.1 12.1 -2.9 -1.9 290 302 A G H > S+ 0 0 0 -37,-0.5 4,-2.6 1,-0.3 -1,-0.2 0.919 122.9 48.0 -67.0 -39.9 13.0 -1.3 -5.2 291 303 A A H X S+ 0 0 1 -4,-0.7 4,-2.4 -38,-0.3 -1,-0.3 0.815 109.5 52.6 -66.1 -31.6 14.4 -4.6 -6.3 292 304 A S H X S+ 0 0 21 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 109.0 50.4 -70.7 -37.6 11.2 -6.4 -5.2 293 305 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.975 111.3 48.1 -63.0 -51.5 9.2 -3.9 -7.2 294 306 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.909 111.7 50.5 -56.8 -43.0 11.5 -4.6 -10.3 295 307 A A H X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.905 112.1 45.3 -68.2 -38.6 11.2 -8.4 -10.0 296 308 A T H < S+ 0 0 32 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.923 115.0 47.7 -79.6 -29.7 7.4 -8.4 -9.6 297 309 A I H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 7,-0.5 0.999 115.3 45.9 -60.0 -59.0 6.9 -5.9 -12.6 298 310 A L H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.711 113.8 47.4 -58.4 -25.6 9.2 -7.9 -14.8 299 311 A S T 3< S+ 0 0 63 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.327 100.5 73.8 -98.1 10.4 7.7 -11.2 -14.0 300 312 A N <> - 0 0 71 -3,-2.2 4,-3.0 -4,-0.3 5,-0.2 -0.980 68.5-151.2-122.2 129.9 4.0 -10.2 -14.4 301 313 A D H > S+ 0 0 144 -2,-0.5 4,-1.6 2,-0.2 5,-0.2 0.879 95.3 49.5 -69.3 -37.7 2.8 -9.8 -18.0 302 314 A A H >> S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 3,-0.6 0.990 118.3 39.8 -63.3 -59.3 0.2 -7.2 -17.2 303 315 A L H 3> S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.869 112.0 54.3 -59.8 -39.6 2.6 -5.1 -15.2 304 316 A R H 3X S+ 0 0 46 -4,-3.0 4,-2.4 -7,-0.5 -1,-0.2 0.866 108.4 52.4 -70.6 -22.9 5.6 -5.5 -17.5 305 317 A A H X S+ 0 0 11 -4,-2.2 4,-1.7 1,-0.2 3,-0.6 0.814 114.7 48.0 -60.9 -23.1 13.3 26.2 -31.3 329 341 A L H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 2,-1.0 0.977 110.0 51.2 -76.4 -49.6 17.0 27.0 -31.5 330 342 A Q H 3< S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.175 120.4 36.5 -76.2 31.3 17.0 27.1 -35.4 331 343 A E H <4 S+ 0 0 136 -2,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.339 104.0 63.2-156.8 -32.5 14.0 29.5 -35.2 332 344 A K H << S- 0 0 61 -4,-1.7 -2,-0.2 -3,-0.6 -3,-0.1 0.593 119.8-117.3 -73.8 -10.5 14.9 31.6 -32.2 333 345 A G < + 0 0 49 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.993 64.7 117.7 89.4 83.9 17.6 32.3 -34.6 334 346 A A - 0 0 28 -5,-0.4 2,-0.5 2,-0.1 -1,-0.2 -0.890 56.4 -96.9-151.7 179.5 21.4 31.8 -34.5 335 347 A N + 0 0 161 -2,-0.3 2,-0.3 58,-0.1 -5,-0.0 -0.919 66.0 101.6-118.1 137.9 23.8 29.8 -36.5 336 348 A R - 0 0 54 -2,-0.5 2,-0.5 -6,-0.0 -2,-0.1 -0.848 67.7-113.3 176.5 171.9 25.0 26.5 -35.5 337 349 A D + 0 0 91 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.990 36.1 169.5-120.3 115.9 24.1 23.0 -36.5 338 350 A F > + 0 0 10 -2,-0.5 3,-2.9 2,-0.1 4,-0.5 0.317 50.2 107.3 -98.8 3.7 22.5 21.7 -33.3 339 351 A S T >> + 0 0 52 1,-0.3 4,-0.9 2,-0.2 3,-0.8 0.759 61.3 72.0 -51.0 -27.7 21.5 18.7 -35.4 340 352 A F H >> S+ 0 0 11 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.872 86.1 67.7 -60.5 -28.3 24.1 16.7 -33.6 341 353 A I H X4 S+ 0 0 0 -3,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.898 97.8 52.3 -53.6 -40.0 21.6 16.9 -30.6 342 354 A I H <4 S+ 0 0 49 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.795 104.9 54.9 -69.4 -29.1 19.2 14.7 -32.6 343 355 A K H << S+ 0 0 145 -3,-1.0 -1,-0.2 -4,-0.9 2,-0.2 0.638 94.1 85.4 -72.4 -27.7 21.8 12.0 -33.2 344 356 A Q S << S- 0 0 6 -3,-0.9 2,-0.3 -4,-0.8 -157,-0.2 -0.548 71.0-134.9 -86.0 155.1 22.6 11.5 -29.6 345 357 A N + 0 0 37 -159,-2.9 3,-0.4 -2,-0.2 -127,-0.2 -0.854 52.7 11.5-116.9 146.2 20.7 9.2 -27.2 346 358 A G S S- 0 0 3 -129,-0.7 31,-0.1 -2,-0.3 -165,-0.1 -0.471 103.4 -45.4 93.5-164.2 19.3 9.4 -23.7 347 359 A M S S+ 0 0 2 -2,-0.2 30,-2.9 -166,-0.1 31,-0.4 0.661 110.3 65.3 -81.1 -16.2 18.9 12.4 -21.5 348 360 A F E +I 376 0D 5 -3,-0.4 2,-0.3 28,-0.2 28,-0.2 -0.828 43.1 151.1-119.1 147.3 22.3 14.1 -21.9 349 361 A S E -I 375 0D 0 26,-1.2 26,-2.7 -2,-0.3 2,-0.7 -0.965 45.7-108.4-158.3 153.7 24.4 15.7 -24.5 350 362 A F E -I 374 0D 18 -2,-0.3 24,-0.3 -165,-0.3 23,-0.1 -0.803 22.0-159.1 -79.9 123.4 27.0 18.4 -24.6 351 363 A S - 0 0 3 22,-2.9 -1,-0.2 -2,-0.7 23,-0.1 0.701 39.8-116.9 -72.6 -18.4 25.4 21.4 -26.1 352 364 A G + 0 0 42 20,-0.3 2,-0.3 1,-0.3 21,-0.1 0.795 63.9 149.9 84.0 26.1 28.9 22.6 -27.0 353 365 A L - 0 0 13 19,-0.1 -1,-0.3 20,-0.1 2,-0.2 -0.683 44.3-123.1 -89.6 145.8 28.6 25.6 -24.8 354 366 A T > - 0 0 64 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.540 21.0-114.1 -81.0 158.2 31.7 27.1 -23.1 355 367 A K H > S+ 0 0 161 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.943 123.5 54.8 -54.5 -41.3 32.0 27.5 -19.4 356 368 A E H > S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.958 114.6 43.2 -60.2 -39.8 32.1 31.3 -20.1 357 369 A Q H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 112.7 47.2 -73.1 -42.0 28.7 30.6 -21.9 358 370 A V H X S+ 0 0 5 -4,-3.2 4,-2.5 1,-0.2 11,-0.2 0.899 113.8 50.7 -72.1 -29.4 27.0 28.3 -19.4 359 371 A L H X S+ 0 0 75 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.951 110.7 48.3 -68.2 -44.8 28.0 30.7 -16.6 360 372 A R H X>S+ 0 0 99 -4,-2.1 4,-2.4 -5,-0.3 5,-0.6 0.932 109.6 53.2 -57.5 -45.2 26.5 33.5 -18.6 361 373 A L H X>S+ 0 0 0 -4,-2.7 6,-1.9 1,-0.2 4,-1.4 0.925 113.0 44.6 -52.8 -47.1 23.4 31.4 -19.2 362 374 A R H <5S+ 0 0 66 -4,-2.5 4,-0.4 4,-0.3 -2,-0.2 0.904 118.9 39.0 -70.3 -44.2 23.1 30.9 -15.5 363 375 A E H <5S+ 0 0 154 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.975 125.9 32.8 -74.5 -55.5 23.8 34.5 -14.3 364 376 A E H <5S+ 0 0 105 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.729 136.7 16.6 -76.3 -28.7 21.8 36.4 -17.0 365 377 A F T <> -J 374 0D 18 4,-1.7 3,-3.1 -2,-0.3 4,-0.5 -0.539 43.4-109.4 -71.5 143.4 26.7 21.6 -15.9 371 383 A A T 34 S+ 0 0 67 1,-0.3 -13,-0.2 -2,-0.2 -12,-0.1 0.711 117.4 66.6 -45.1 -25.9 30.0 23.6 -16.7 372 384 A S T 34 S- 0 0 54 2,-0.1 -20,-0.3 1,-0.1 -1,-0.3 0.497 119.3-109.0 -72.2 -3.2 30.7 21.0 -19.4 373 385 A G T <4 + 0 0 0 -3,-3.1 -22,-2.9 1,-0.3 2,-0.4 0.619 67.8 155.1 80.2 8.6 27.7 22.3 -21.4 374 386 A R E < -IJ 350 370D 20 -4,-0.5 -4,-1.7 -24,-0.3 2,-0.4 -0.574 22.7-170.2 -71.9 127.7 26.0 19.0 -20.6 375 387 A V E -I 349 0D 0 -26,-2.7 -26,-1.2 -2,-0.4 2,-0.9 -0.886 21.0-135.0-119.6 140.0 22.3 19.7 -20.8 376 388 A N E > -I 348 0D 0 -345,-1.4 3,-1.9 -2,-0.4 -28,-0.2 -0.888 12.3-158.7 -97.3 109.0 19.7 17.2 -19.5 377 389 A V G > S+ 0 0 0 -30,-2.9 3,-2.5 -2,-0.9 -1,-0.2 0.890 85.8 67.5 -56.1 -36.8 17.1 17.2 -22.3 378 390 A A G 3 S+ 0 0 0 -31,-0.4 -1,-0.3 1,-0.3 -337,-0.1 0.668 89.4 65.0 -61.8 -9.1 14.4 15.8 -19.9 379 391 A G G < S+ 0 0 10 -3,-1.9 2,-0.4 -32,-0.2 -1,-0.3 0.449 87.4 89.0 -91.0 2.5 14.4 19.2 -17.9 380 392 A M < - 0 0 0 -3,-2.5 -339,-0.1 -4,-0.1 -59,-0.1 -0.846 57.2-179.6 -95.3 135.1 13.1 20.8 -21.1 381 393 A T > - 0 0 15 -2,-0.4 4,-1.8 -341,-0.1 3,-0.3 -0.897 44.9-105.5-126.9 163.6 9.2 20.9 -21.5 382 394 A P T 4 S+ 0 0 55 0, 0.0 4,-0.3 0, 0.0 -1,-0.0 0.846 122.5 56.3 -64.7 -24.0 7.4 22.4 -24.6 383 395 A D T >4 S+ 0 0 144 -344,-0.2 3,-0.6 1,-0.2 -3,-0.0 0.924 112.8 35.8 -72.6 -41.5 6.6 25.2 -22.3 384 396 A N T 3> S+ 0 0 31 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.623 91.5 93.7 -93.7 0.4 10.2 26.1 -21.3 385 397 A M H 3X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.801 85.0 48.7 -58.7 -28.9 11.7 25.4 -24.7 386 398 A A H <> S+ 0 0 33 -3,-0.6 4,-2.4 -4,-0.3 -1,-0.2 0.959 110.7 45.0 -89.8 -40.4 11.4 29.0 -25.9 387 399 A P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.937 117.5 49.8 -53.0 -45.0 12.9 31.0 -22.9 388 400 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.958 112.8 43.6 -59.9 -58.8 15.7 28.3 -22.9 389 401 A C H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.2 5,-0.2 0.920 113.5 53.0 -53.8 -43.7 16.3 28.6 -26.7 390 402 A E H X S+ 0 0 101 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.960 110.2 47.7 -50.1 -55.3 16.1 32.4 -26.5 391 403 A A H < S+ 0 0 2 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.928 112.0 48.0 -56.2 -47.3 18.7 32.4 -23.7 392 404 A I H >< S+ 0 0 2 -4,-2.4 3,-1.9 1,-0.2 4,-0.4 0.943 112.4 51.0 -65.8 -41.9 21.0 30.1 -25.6 393 405 A V H >< S+ 0 0 33 -4,-3.3 3,-1.7 1,-0.3 -2,-0.2 0.956 105.9 54.8 -55.9 -55.3 20.7 32.3 -28.7 394 406 A A T 3< S+ 0 0 51 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.504 112.8 42.5 -56.9 -6.2 21.5 35.4 -26.8 395 408 A V T < 0 0 4 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.310 360.0 360.0-122.7 8.4 24.8 33.9 -25.5 396 409 A L < 0 0 100 -3,-1.7 -2,-0.1 -4,-0.4 -3,-0.1 0.805 360.0 360.0 -79.9 360.0 26.1 32.2 -28.6