==== 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 16-SEP-93 1ASN . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.JAEGER,J.N.JANSONIUS . 792 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 70.6 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 . 43 5.4 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 . 43 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 0 0 2 3 4 2 1 4 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 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 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 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 54 0, 0.0 515,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -10.3 -13.3 26.7 41.6 2 6 A F > + 0 0 0 1,-0.1 3,-1.0 2,-0.1 666,-0.1 0.323 360.0 98.5-106.3 3.8 -15.4 29.0 39.3 3 7 A E T 3 S+ 0 0 129 1,-0.3 -1,-0.1 664,-0.0 656,-0.0 0.822 89.2 34.8 -58.1 -49.1 -18.7 28.4 41.0 4 8 A N T 3 S+ 0 0 164 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.181 84.5 131.4 -97.4 18.9 -18.8 31.5 43.2 5 9 A I < - 0 0 8 -3,-1.0 2,-0.2 1,-0.0 3,-0.1 -0.607 54.2-136.0 -73.2 120.4 -17.1 33.7 40.7 6 10 A T - 0 0 100 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.563 23.6 -99.5 -81.2 136.5 -19.2 36.9 40.4 7 11 A A - 0 0 62 -2,-0.2 -1,-0.1 1,-0.1 661,-0.1 -0.198 37.0-119.3 -52.4 136.4 -19.9 38.4 37.0 8 12 A A - 0 0 19 659,-0.4 -1,-0.1 1,-0.1 663,-0.1 -0.557 38.4-101.5 -76.5 149.4 -17.7 41.3 36.2 9 13 A P - 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.273 41.7 -95.5 -66.8 158.7 -19.7 44.5 35.6 10 14 A A - 0 0 95 -3,-0.1 660,-0.0 1,-0.1 -3,-0.0 -0.589 37.0-120.9 -80.3 142.4 -20.5 45.7 32.1 11 15 A D > - 0 0 50 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.577 14.2-132.4 -81.7 142.9 -18.1 48.4 30.6 12 16 A P H > S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.991 104.1 41.0 -57.7 -65.7 -19.7 51.7 29.5 13 17 A I H > S+ 0 0 37 1,-0.2 4,-0.8 2,-0.2 21,-0.1 0.862 124.3 44.5 -51.1 -35.8 -18.1 52.2 26.0 14 18 A L H > S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.845 108.2 52.6 -82.2 -35.4 -18.7 48.5 25.5 15 19 A G H X S+ 0 0 33 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.744 107.6 53.1 -75.3 -20.8 -22.2 48.1 26.9 16 20 A L H X S+ 0 0 17 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.806 95.9 66.3 -82.2 -34.9 -23.6 50.9 24.6 17 21 A A H X S+ 0 0 44 -4,-0.8 4,-2.4 -5,-0.3 3,-0.4 0.959 105.8 42.9 -51.8 -54.7 -22.3 49.5 21.4 18 22 A D H X S+ 0 0 86 -4,-0.9 4,-2.8 1,-0.3 5,-0.4 0.952 110.9 51.8 -55.9 -61.1 -24.6 46.5 21.6 19 23 A L H < S+ 0 0 72 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.753 111.3 52.2 -47.7 -29.4 -27.7 48.3 22.8 20 24 A F H >X S+ 0 0 44 -4,-1.6 3,-1.6 -3,-0.4 4,-0.9 0.969 110.7 45.0 -71.3 -57.0 -27.1 50.5 19.8 21 25 A R H >< S+ 0 0 150 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.953 118.2 42.2 -48.5 -62.8 -26.9 47.5 17.4 22 26 A A T 3< S+ 0 0 46 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.389 95.1 83.9 -67.7 -0.2 -29.9 45.8 18.8 23 27 A D T <4 + 0 0 16 -3,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.956 66.0 175.8 -67.1 -45.4 -31.6 49.2 18.9 24 28 A E << + 0 0 157 -3,-1.2 -3,-0.1 -4,-0.9 -2,-0.1 0.742 17.7 145.0 44.2 40.8 -32.5 48.7 15.3 25 29 A R - 0 0 118 1,-0.1 340,-0.0 341,-0.1 341,-0.0 0.420 58.7-102.3 -77.2-154.0 -34.5 51.9 14.8 26 30 A P S S+ 0 0 117 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.640 100.4 17.0-100.4 -79.6 -34.2 53.5 11.4 27 31 A G S S+ 0 0 72 -3,-0.1 339,-0.3 2,-0.0 2,-0.0 -0.376 83.5 158.3 -97.0 55.8 -31.9 56.6 11.3 28 32 A K - 0 0 53 -2,-0.7 2,-0.4 337,-0.1 339,-0.2 -0.194 27.1-146.9 -74.7 161.4 -29.9 56.2 14.6 29 33 A I E -a 367 0A 11 337,-1.6 339,-3.0 333,-0.0 2,-0.7 -0.999 3.8-148.6-137.2 131.0 -26.5 57.7 15.5 30 34 A N E +a 368 0A 26 -2,-0.4 339,-0.1 337,-0.2 3,-0.1 -0.911 28.3 157.3-104.1 115.3 -23.6 56.4 17.6 31 35 A L + 0 0 3 337,-2.7 345,-1.4 -2,-0.7 339,-0.3 0.260 65.2 76.2-114.4 2.9 -21.7 59.1 19.4 32 36 A G + 0 0 2 336,-0.3 -15,-0.1 337,-0.2 337,-0.1 0.363 67.7 120.7 -94.3 3.8 -20.4 56.8 22.1 33 37 A I - 0 0 34 343,-0.1 346,-0.1 1,-0.1 345,-0.1 -0.280 56.5-148.0 -65.3 151.9 -17.8 55.2 19.8 34 38 A G + 0 0 23 -21,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.229 69.1 74.6-108.7 25.7 -14.2 55.4 20.7 35 39 A V S S- 0 0 8 312,-0.1 2,-0.3 341,-0.0 343,-0.1 -0.719 83.2 -93.0-132.9 168.5 -12.8 55.5 17.2 36 40 A Y - 0 0 19 -2,-0.2 2,-0.4 8,-0.1 -2,-0.1 -0.620 37.2-175.2 -83.6 144.4 -12.3 57.8 14.2 37 41 A K - 0 0 33 -2,-0.3 6,-0.2 341,-0.1 343,-0.1 -0.988 13.6-137.6-137.1 144.1 -15.0 57.8 11.4 38 42 A D > - 0 0 40 4,-2.3 3,-2.4 -2,-0.4 276,-0.0 -0.269 42.2 -74.4 -95.2-174.3 -14.9 59.6 8.2 39 43 A E T 3 S+ 0 0 115 1,-0.3 344,-0.2 2,-0.1 -1,-0.0 0.800 131.1 47.5 -42.4 -42.1 -17.5 61.5 6.2 40 44 A T T 3 S- 0 0 95 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.460 119.5-104.4 -84.8 -6.6 -19.2 58.2 5.1 41 45 A G S < S+ 0 0 35 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.727 79.8 116.5 92.5 19.5 -19.3 56.6 8.5 42 46 A K - 0 0 119 -4,-0.0 -4,-2.3 417,-0.0 -1,-0.3 -0.841 61.9-134.6-127.2 160.2 -16.5 54.1 8.2 43 47 A T - 0 0 17 -2,-0.3 417,-0.5 -6,-0.2 418,-0.4 -0.724 39.5-173.1-110.7 81.6 -13.1 53.5 9.8 44 48 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 416,-0.3 0.028 29.3-101.0 -71.4 168.0 -10.9 52.8 6.9 45 49 A V - 0 0 20 413,-0.2 204,-0.1 414,-0.1 205,-0.1 -0.849 46.1-108.6 -92.3 127.2 -7.3 51.7 6.6 46 50 A L > - 0 0 15 -2,-0.5 4,-1.8 202,-0.4 5,-0.1 -0.201 19.8-129.4 -53.3 144.2 -5.0 54.6 5.9 47 51 A T H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.890 110.3 54.4 -63.2 -40.7 -3.7 54.4 2.3 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 107.6 51.6 -61.2 -33.3 -0.1 54.9 3.6 49 53 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 107.9 50.4 -71.1 -43.2 -0.7 51.9 5.9 50 54 A K H X S+ 0 0 54 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.872 109.6 50.8 -65.2 -35.0 -1.9 49.7 3.0 51 55 A K H X S+ 0 0 119 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.871 110.4 50.8 -68.8 -34.2 1.2 50.6 0.9 52 56 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.924 105.9 54.1 -71.3 -39.7 3.3 49.6 3.9 53 57 A E H X S+ 0 0 9 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.754 107.5 51.0 -63.3 -25.0 1.6 46.3 4.3 54 58 A Q H X S+ 0 0 68 -4,-1.0 4,-1.8 -3,-0.3 -1,-0.2 0.925 107.6 53.7 -78.6 -39.5 2.3 45.4 0.6 55 59 A Y H X S+ 0 0 107 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.923 110.6 45.7 -55.7 -48.7 5.9 46.3 1.1 56 60 A L H X S+ 0 0 15 -4,-2.2 4,-2.9 1,-0.2 3,-0.4 0.882 107.4 57.0 -64.3 -40.0 6.1 43.9 4.1 57 61 A L H < S+ 0 0 20 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.0 42.9 -56.1 -38.3 4.3 41.1 2.3 58 62 A E H < S+ 0 0 131 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.613 124.0 33.6 -84.7 -17.2 6.9 41.3 -0.4 59 63 A N H < S+ 0 0 85 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.2 0.651 82.1 105.2-117.4 -16.0 9.9 41.7 1.9 60 64 A E < + 0 0 30 -4,-2.9 382,-0.1 1,-0.2 3,-0.1 -0.486 33.9 173.5 -68.9 132.3 9.4 39.7 5.1 61 66 A T + 0 0 117 1,-0.2 381,-0.3 -2,-0.1 2,-0.3 0.540 63.2 18.6-112.6 -14.6 11.5 36.6 5.0 62 67 A T - 0 0 46 379,-0.2 -1,-0.2 2,-0.1 380,-0.2 -0.953 48.3-150.2-151.0 160.3 10.8 35.3 8.6 63 68 A K + 0 0 0 377,-0.5 586,-2.7 378,-0.4 587,-0.2 0.013 49.1 148.8-119.5 29.7 8.4 35.7 11.5 64 69 A N - 0 0 66 376,-0.3 -2,-0.1 584,-0.2 378,-0.0 -0.166 56.7 -74.7 -62.1 152.2 11.1 34.9 14.0 65 70 A Y - 0 0 76 1,-0.1 2,-0.2 583,-0.1 -1,-0.1 0.030 39.7-130.8 -50.4 151.1 10.8 36.6 17.4 66 71 A L - 0 0 36 220,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.527 36.7 -93.1 -93.2 163.9 11.5 40.3 18.1 67 72 A G > - 0 0 42 3,-0.4 3,-1.8 -2,-0.2 -1,-0.1 -0.298 48.2 -95.7 -68.8 164.9 13.7 41.3 21.0 68 73 A I T 3 S+ 0 0 26 1,-0.3 -1,-0.1 217,-0.2 3,-0.1 0.809 128.8 48.0 -54.6 -28.7 11.8 42.1 24.2 69 74 A D T 3 S- 0 0 43 1,-0.3 30,-2.7 29,-0.1 -1,-0.3 0.478 107.3-139.5 -94.0 -1.2 11.8 45.8 23.3 70 75 A G < + 0 0 6 -3,-1.8 -3,-0.4 28,-0.2 -1,-0.3 -0.476 54.8 6.3 85.7-152.4 10.7 45.2 19.8 71 76 A I >> - 0 0 17 -2,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.535 57.9-146.0 -75.9 124.5 11.9 46.8 16.6 72 77 A P H 3> S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.900 98.7 48.6 -56.8 -46.8 14.8 49.2 17.0 73 78 A E H 3> S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.757 107.0 58.7 -65.9 -27.4 13.8 51.7 14.3 74 79 A F H <> S+ 0 0 0 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.967 107.8 46.5 -64.0 -47.9 10.4 51.7 15.8 75 80 A G H X S+ 0 0 11 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.812 113.7 46.9 -61.1 -37.7 12.0 52.9 19.0 76 81 A R H X S+ 0 0 136 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.952 111.4 51.6 -67.5 -54.1 14.2 55.6 17.3 77 82 A C H X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.901 111.6 46.9 -52.0 -42.1 11.2 56.9 15.3 78 83 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.937 108.0 54.0 -72.3 -39.4 9.1 57.3 18.3 79 84 A Q H X S+ 0 0 27 -4,-1.7 4,-2.8 1,-0.3 5,-0.4 0.940 112.1 46.0 -55.9 -45.0 11.8 58.9 20.4 80 85 A E H X S+ 0 0 28 -4,-2.6 4,-1.4 1,-0.2 -1,-0.3 0.851 111.0 53.0 -63.4 -39.6 12.2 61.5 17.7 81 86 A L H < S+ 0 0 6 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.901 118.1 35.5 -63.8 -38.7 8.5 61.9 17.4 82 87 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.1 147,-0.2 0.934 132.0 24.3 -79.0 -57.6 8.1 62.6 21.1 83 88 A F H < S- 0 0 10 -4,-2.8 4,-0.2 -5,-0.2 -3,-0.2 0.460 111.8-109.2 -91.3 -3.8 11.2 64.5 22.0 84 89 A G >< - 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0 0 0 -168,-1.9 -25,-0.1 -2,-0.4 137,-0.1 -0.780 51.1 -86.2-125.5 176.2 16.6 58.6 33.4 263 275 A A S S- 0 0 44 -2,-0.3 2,-0.3 1,-0.1 -26,-0.1 0.707 101.7 -14.6 -63.0 -18.8 19.4 61.1 34.3 264 276 A D S > S- 0 0 68 -170,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.990 79.3 -77.0-171.0 175.0 21.8 59.3 32.1 265 277 A S H > S+ 0 0 47 -173,-0.6 4,-1.9 -2,-0.3 5,-0.2 0.782 117.8 51.1 -54.4 -44.4 22.7 56.3 30.0 266 278 A E H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 111.6 47.0 -67.8 -37.9 23.7 53.9 32.8 267 279 A T H > S+ 0 0 14 -3,-0.4 4,-3.5 2,-0.2 5,-0.2 0.880 111.8 48.9 -72.2 -41.5 20.6 54.4 34.9 268 280 A V H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.907 112.8 49.7 -62.1 -45.3 18.2 54.0 31.9 269 281 A D H X S+ 0 0 68 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.878 116.3 41.3 -58.5 -41.0 20.0 50.8 30.9 270 282 A R H X S+ 0 0 58 -4,-1.8 4,-0.8 2,-0.2 3,-0.3 0.932 120.2 43.3 -73.3 -45.4 19.9 49.5 34.5 271 283 A A H X S+ 0 0 0 -4,-3.5 4,-1.1 1,-0.2 3,-0.3 0.849 110.9 56.6 -68.0 -33.1 16.3 50.6 35.0 272 284 A F H X S+ 0 0 1 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.766 97.8 60.1 -71.5 -30.9 15.2 49.4 31.5 273 285 A S H X S+ 0 0 24 -4,-1.1 4,-2.6 -3,-0.3 -1,-0.2 0.837 104.3 50.3 -65.4 -35.1 16.4 45.8 32.0 274 286 A Q H X S+ 0 0 30 -4,-0.8 4,-1.4 -3,-0.3 -1,-0.2 0.855 109.8 51.7 -70.2 -29.9 13.9 45.6 34.9 275 287 A M H X S+ 0 0 0 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.804 110.7 47.5 -71.5 -32.4 11.3 47.0 32.5 276 288 A K H X S+ 0 0 61 -4,-1.6 4,-2.3 2,-0.2 3,-0.5 0.880 106.5 57.5 -75.4 -33.8 12.3 44.2 30.1 277 289 A A H X S+ 0 0 41 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.876 106.3 50.2 -60.7 -35.2 12.1 41.8 32.9 278 290 A A H < S+ 0 0 17 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.706 109.0 50.4 -74.5 -29.6 8.4 42.9 33.3 279 291 A I H >X>S+ 0 0 0 -4,-0.9 3,-2.5 -3,-0.5 5,-2.0 0.924 105.3 57.0 -72.6 -45.4 7.5 42.5 29.7 280 292 A R H 3<5S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.880 106.8 49.5 -54.5 -38.2 9.0 38.9 29.6 281 293 A A T 3<5S+ 0 0 6 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.378 118.4 40.2 -83.3 0.7 6.6 37.9 32.5 282 294 A N T <45S- 0 0 0 -3,-2.5 223,-0.4 223,-0.0 -2,-0.2 0.613 139.7 -21.4-112.2 -78.0 3.7 39.3 30.7 283 295 A Y T <5S- 0 0 1 -4,-1.0 2,-1.9 222,-0.1 219,-0.3 0.301 76.7-136.4-120.9 5.8 3.5 38.8 26.9 284 296 A S S - 0 0 4 0, 0.0 4,-0.7 0, 0.0 363,-0.3 -0.481 32.8-153.8 -67.3 122.5 3.5 41.9 17.8 288 300 A A H > S+ 0 0 2 361,-3.1 4,-2.9 -2,-0.4 5,-0.3 0.891 72.4 71.9 -68.4 -44.6 5.5 42.8 14.8 289 301 A H H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.827 100.3 38.1 -45.1 -59.6 2.9 43.8 12.2 290 302 A G H > S+ 0 0 1 -37,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.964 118.8 49.1 -62.0 -44.7 1.6 47.1 13.3 291 303 A A H X S+ 0 0 1 -4,-0.7 4,-2.7 1,-0.3 5,-0.2 0.863 109.7 51.6 -64.7 -35.4 5.0 48.3 14.5 292 304 A S H X S+ 0 0 18 -4,-2.9 4,-2.3 2,-0.2 -1,-0.3 0.864 108.7 53.0 -66.2 -36.8 6.7 47.3 11.2 293 305 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.961 111.5 44.8 -61.9 -46.1 4.0 49.2 9.5 294 306 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.900 113.3 49.0 -65.0 -45.6 4.8 52.4 11.6 295 307 A A H X S+ 0 0 5 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.942 112.4 50.3 -59.2 -49.0 8.6 52.0 11.3 296 308 A T H >< S+ 0 0 19 -4,-2.3 3,-0.5 -5,-0.2 4,-0.5 0.953 114.5 42.1 -57.2 -48.5 8.2 51.6 7.5 297 309 A I H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 7,-0.3 0.983 114.0 50.4 -64.7 -55.4 6.0 54.7 7.1 298 310 A L H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.654 112.8 48.5 -57.4 -16.5 8.0 57.0 9.4 299 311 A S T << S+ 0 0 67 -4,-1.1 2,-0.5 -3,-0.5 -1,-0.3 0.400 97.3 71.9-107.7 0.2 11.2 56.1 7.7 300 312 A N <> - 0 0 64 -3,-1.9 4,-2.8 -4,-0.5 5,-0.2 -0.994 67.7-150.3-115.0 124.1 10.3 56.6 4.0 301 313 A D H > S+ 0 0 147 -2,-0.5 4,-1.4 2,-0.2 5,-0.1 0.852 96.5 50.7 -60.4 -40.4 9.8 60.2 2.9 302 314 A A H >> S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 3,-1.0 0.997 115.9 39.3 -61.4 -61.9 7.3 59.3 0.3 303 315 A L H 3> S+ 0 0 20 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.799 115.6 52.5 -57.6 -34.7 5.1 57.2 2.6 304 316 A R H 3X S+ 0 0 64 -4,-2.8 4,-2.1 -7,-0.3 -1,-0.3 0.796 104.9 55.8 -75.2 -23.2 5.5 59.6 5.5 305 317 A A H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 3,-0.6 0.939 107.7 50.8 -67.3 -38.7 -12.5 66.9 9.5 318 330 A I H 3X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.922 108.2 51.4 -65.8 -38.6 -12.8 66.8 13.3 319 331 A Q H 3X S+ 0 0 75 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.728 108.6 53.7 -69.8 -18.4 -12.3 70.6 13.4 320 332 A R H S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 -2,-0.2 0.959 107.9 50.8 -64.1 -44.0 -27.2 73.8 17.2 330 342 A Q H ><5S+ 0 0 77 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.863 108.6 48.2 -62.0 -40.6 -27.6 77.6 16.9 331 343 A E H 3<5S+ 0 0 160 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 105.0 60.5 -69.2 -34.4 -29.8 77.6 13.8 332 344 A K T 3<5S- 0 0 68 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.433 126.4 -99.2 -73.7 3.8 -32.0 74.9 15.3 333 345 A G T < 5 - 0 0 54 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.388 48.9-163.2 95.7 1.1 -32.8 77.4 18.1 334 346 A A < - 0 0 15 -5,-2.1 -1,-0.2 -6,-0.2 59,-0.1 0.259 13.0-147.4 -29.8 119.7 -30.4 75.9 20.7 335 347 A N S S+ 0 0 115 58,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.951 74.6 42.1 -53.6 -57.5 -31.4 77.2 24.0 336 348 A R S S- 0 0 163 1,-0.1 2,-0.7 2,-0.0 60,-0.0 -0.313 89.1 -96.7 -94.7 175.5 -27.8 77.3 25.4 337 349 A D + 0 0 107 1,-0.1 3,-0.3 -2,-0.1 -1,-0.1 -0.816 35.0 171.4 -97.3 110.8 -24.3 78.3 24.3 338 350 A F > + 0 0 5 -2,-0.7 3,-2.5 -12,-0.2 4,-0.3 0.211 44.0 114.7-102.7 15.5 -22.3 75.3 23.0 339 351 A S G > + 0 0 48 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.742 58.9 74.8 -60.1 -23.6 -19.5 77.5 21.7 340 352 A F G >> S+ 0 0 10 -3,-0.3 3,-1.1 1,-0.3 4,-0.6 0.745 81.2 76.3 -60.6 -18.2 -17.0 76.0 24.2 341 353 A I G X4 S+ 0 0 0 -3,-2.5 3,-0.6 1,-0.3 -1,-0.3 0.826 89.8 53.1 -64.2 -24.8 -17.1 73.0 21.9 342 354 A I G <4 S+ 0 0 64 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.651 101.0 60.8 -84.3 -13.4 -14.9 74.8 19.4 343 355 A K G <4 S+ 0 0 123 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.638 91.8 84.2 -86.1 -13.8 -12.3 75.5 22.1 344 356 A Q S << S- 0 0 8 -4,-0.6 2,-0.4 -3,-0.6 -157,-0.2 -0.541 70.7-132.4 -94.9 154.4 -11.7 71.8 22.8 345 357 A N + 0 0 42 -159,-3.0 3,-0.3 -2,-0.2 2,-0.2 -0.904 53.8 10.3-114.6 141.0 -9.4 69.4 20.9 346 358 A G S S- 0 0 5 -129,-0.5 31,-0.1 -2,-0.4 -165,-0.1 -0.670 100.2 -47.8 103.0-165.0 -9.7 65.9 19.5 347 359 A M S S+ 0 0 2 -2,-0.2 30,-3.8 -166,-0.1 31,-0.5 0.653 109.7 69.5 -85.8 -19.5 -12.6 63.6 19.0 348 360 A F E +I 376 0D 7 -3,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.544 46.3 153.9-101.3 166.9 -14.2 63.9 22.5 349 361 A S E -I 375 0D 0 26,-0.8 26,-2.3 -2,-0.2 2,-0.6 -0.870 44.0-111.5 179.8 142.2 -16.0 66.5 24.5 350 362 A F E -I 374 0D 26 -165,-0.5 24,-0.2 -2,-0.3 23,-0.1 -0.829 23.8-158.3 -81.7 124.6 -18.5 66.7 27.2 351 363 A S - 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0 0 6 -4,-1.2 3,-1.4 -5,-0.3 -1,-0.2 0.148 36.5 -71.3 98.8 147.3 -12.1 17.7 18.7 482 90 B K T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -5,-0.1 -4,-0.1 0.734 127.9 23.0 -39.1 -49.0 -14.7 18.3 16.0 483 91 B G T 3 S+ 0 0 48 -3,-0.1 -1,-0.3 -6,-0.1 5,-0.1 0.180 84.4 156.3-113.7 19.1 -17.7 17.0 18.0 484 92 B S X> - 0 0 25 -3,-1.4 4,-2.2 1,-0.1 3,-0.6 0.020 48.0-131.4 -44.3 147.8 -16.5 17.4 21.6 485 93 B A H 3> S+ 0 0 57 1,-0.2 4,-3.2 2,-0.2 6,-0.2 0.807 106.4 66.6 -70.4 -33.6 -19.2 17.7 24.3 486 94 B L H 34>S+ 0 0 7 2,-0.2 5,-1.9 1,-0.2 6,-0.8 0.782 107.3 40.9 -57.9 -29.2 -17.3 20.7 25.6 487 95 B I H X45S+ 0 0 30 -3,-0.6 3,-2.0 3,-0.2 -2,-0.2 0.935 115.8 46.4 -86.4 -49.6 -18.2 22.4 22.4 488 96 B N H 3<5S+ 0 0 119 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.881 114.2 48.1 -59.4 -37.3 -21.8 21.2 22.0 489 97 B D T 3<5S- 0 0 102 -4,-3.2 173,-0.5 -5,-0.1 -1,-0.3 0.457 109.2-125.4 -81.1 -0.4 -22.7 22.0 25.6 490 98 B K T < 5 + 0 0 89 -3,-2.0 -3,-0.2 -5,-0.2 175,-0.1 0.906 63.1 143.7 51.9 51.7 -21.1 25.4 25.2 491 99 B R < + 0 0 28 -5,-1.9 168,-2.2 -6,-0.2 2,-0.4 0.447 49.5 65.6 -98.0 -7.5 -18.9 24.7 28.2 492 100 B A E -K 658 0F 0 -6,-0.8 2,-0.4 166,-0.2 166,-0.2 -0.968 54.8-168.1-128.0 142.6 -15.7 26.5 26.9 493 101 B R E -K 657 0F 69 164,-2.0 164,-2.5 -2,-0.4 2,-0.4 -0.990 12.2-155.3-127.0 129.5 -14.9 30.1 26.2 494 102 B T E -K 656 0F 11 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.901 3.3-160.4-110.7 133.2 -11.7 31.1 24.2 495 103 B A E -K 655 0F 0 160,-2.0 160,-1.6 -2,-0.4 2,-0.2 -0.926 22.8-129.0-108.9 125.3 -9.8 34.5 24.4 496 104 B Q E -K 654 0F 2 -30,-3.2 158,-0.3 -2,-0.5 156,-0.0 -0.595 41.7-174.9 -66.6 148.7 -7.5 35.3 21.5 497 105 B T E -K 653 0F 0 156,-2.8 2,-1.8 -2,-0.2 156,-1.7 -0.857 36.2 -94.9-147.6 160.4 -4.3 36.3 23.3 498 106 B P E > S-K 652 0F 0 0, 0.0 4,-0.7 0, 0.0 154,-0.3 -0.506 90.3 -42.9 -82.3 83.5 -0.8 37.7 22.6 499 107 B G H > S- 0 0 0 -2,-1.8 4,-1.1 152,-0.5 3,-0.3 -0.027 76.0 -76.0 86.6 160.3 1.2 34.5 22.4 500 108 B G H >> S+ 0 0 5 152,-0.3 4,-1.5 1,-0.2 3,-0.8 0.923 134.5 57.3 -62.7 -34.5 1.1 31.4 24.5 501 109 B T H 3> S+ 0 0 9 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.830 101.8 53.8 -63.2 -34.8 2.9 33.4 27.1 502 110 B G H 3X S+ 0 0 0 -4,-0.7 4,-1.7 -3,-0.3 -1,-0.3 0.763 106.4 53.4 -69.8 -26.5 0.2 36.0 27.1 503 111 B A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 3,-0.6 0.973 113.3 45.1 -63.9 -54.7 -7.5 35.8 36.5 511 119 B L H 3X S+ 0 0 2 -4,-3.0 4,-0.8 1,-0.2 6,-0.5 0.918 113.4 51.3 -54.0 -46.3 -6.8 32.9 38.8 512 120 B A H 3< S+ 0 0 34 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.760 118.5 35.5 -67.9 -23.7 -5.0 35.2 41.3 513 121 B K H << S+ 0 0 99 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.800 124.5 34.0-101.8 -26.8 -7.8 37.7 41.5 514 122 B N H < S+ 0 0 36 -4,-2.6 2,-0.3 -5,-0.2 -2,-0.2 0.202 114.7 49.2-115.1 23.2 -11.0 35.7 41.2 515 123 B T S < S- 0 0 28 -4,-0.8 -513,-0.1 -5,-0.2 -4,-0.0 -0.889 78.3-112.1-154.9 171.4 -10.0 32.6 43.0 516 124 B S + 0 0 98 -2,-0.3 2,-0.2 -515,-0.2 -4,-0.1 0.212 67.5 131.0 -95.6 15.2 -8.4 30.9 46.0 517 125 B V + 0 0 5 -6,-0.5 -2,-0.1 1,-0.2 53,-0.1 -0.487 15.6 155.2 -71.2 136.9 -5.3 29.7 44.1 518 126 B K + 0 0 141 51,-0.3 22,-3.3 1,-0.3 2,-0.4 0.497 59.0 51.0-135.2 -9.2 -2.1 30.4 45.7 519 129 B R E -l 540 0F 23 50,-0.3 52,-2.3 20,-0.2 2,-0.4 -0.959 51.2-171.9-134.2 144.6 0.1 27.7 44.3 520 133 B V E -lm 541 571F 2 20,-2.3 22,-2.4 -2,-0.4 2,-0.5 -0.999 17.0-145.4-138.7 128.9 0.9 26.3 41.0 521 134 B W E -lm 542 572F 18 50,-2.6 52,-2.8 -2,-0.4 2,-0.4 -0.887 18.5-178.7 -92.9 126.6 3.0 23.2 40.5 522 135 B V E -l 543 0F 7 20,-2.8 22,-1.2 -2,-0.5 52,-0.1 -0.969 31.8-103.4-123.1 146.6 5.3 23.0 37.5 523 136 B S E -l 544 0F 1 50,-0.4 22,-0.2 -2,-0.4 -1,-0.1 -0.021 42.5 -93.0 -62.4 166.5 7.5 20.1 36.6 524 137 B N E S+l 545 0F 79 20,-1.0 23,-1.3 1,-0.2 22,-0.7 -0.977 112.1 24.6-125.6 113.8 11.2 20.0 37.3 525 138 B P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.630 89.5 146.8 -83.6 172.1 12.6 21.0 34.8 526 139 B S - 0 0 17 -2,-0.1 5,-0.0 -4,-0.1 -4,-0.0 -0.900 60.6 -52.9-154.4 175.1 10.3 23.2 32.8 527 140 B W > - 0 0 42 53,-0.4 3,-2.3 -2,-0.3 4,-0.4 -0.486 55.6-133.8 -56.9 117.8 10.2 26.2 30.6 528 141 B P T >> S+ 0 0 70 0, 0.0 4,-0.7 0, 0.0 3,-0.7 0.735 99.2 65.2 -47.8 -30.1 12.1 28.7 32.8 529 142 B N H 3> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.599 81.1 78.7 -76.8 -8.2 9.6 31.4 32.1 530 143 B H H <> S+ 0 0 1 -3,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.861 93.3 49.1 -66.8 -36.8 6.7 29.6 33.8 531 144 B K H <> S+ 0 0 116 -3,-0.7 4,-2.8 -4,-0.4 5,-0.2 0.951 111.5 50.8 -69.2 -40.1 8.0 30.6 37.3 532 145 B S H X S+ 0 0 58 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.879 110.1 46.1 -66.2 -45.1 8.3 34.2 36.3 533 146 B V H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.976 116.7 44.9 -66.5 -43.8 4.9 34.7 34.8 534 147 B F H ><>S+ 0 0 1 -4,-1.7 5,-1.8 1,-0.2 3,-0.7 0.882 114.3 50.0 -65.9 -33.4 3.2 33.0 37.7 535 148 B N H ><5S+ 0 0 76 -4,-2.8 3,-2.7 1,-0.3 -1,-0.2 0.909 101.1 60.1 -71.3 -43.9 5.3 34.9 40.2 536 149 B S H 3<5S+ 0 0 32 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.716 105.2 53.1 -59.1 -12.6 4.6 38.3 38.7 537 150 B A T <<5S- 0 0 18 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.436 121.4-107.4 -98.7 -2.3 1.0 37.5 39.4 538 151 B G T < 5S+ 0 0 64 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.608 77.5 127.9 88.2 14.9 1.6 36.8 43.1 539 152 B L < - 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