==== 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) 01-JUL-94 1AMQ . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.MIYAHARA,K.HIROTSU,H.HAYASHI,H.KAGAMIYAMA . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.8 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 . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 39.4 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 1 2 1 0 1 3 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 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 0 233 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.8 40.9 13.3 15.6 2 6 A F > + 0 0 161 1,-0.1 3,-1.6 3,-0.1 0, 0.0 0.445 360.0 101.0-115.0 0.6 39.2 15.4 13.0 3 7 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.830 87.1 46.8 -59.1 -33.1 40.2 19.1 13.4 4 8 A N T 3 S+ 0 0 170 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.018 84.8 137.3 -97.8 33.3 42.8 19.2 10.6 5 9 A I < - 0 0 119 -3,-1.6 2,-0.3 1,-0.1 -3,-0.1 -0.615 55.2-123.2 -84.8 132.2 40.4 17.4 8.2 6 10 A T - 0 0 129 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.570 25.7-118.7 -73.6 131.6 40.2 18.8 4.6 7 11 A A - 0 0 84 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.455 33.2-110.9 -69.6 141.7 36.7 19.8 3.4 8 12 A A - 0 0 88 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.422 37.4-105.4 -72.7 150.4 35.5 17.8 0.5 9 13 A P - 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.131 42.6 -85.2 -67.6 172.0 35.3 19.7 -2.8 10 14 A A - 0 0 88 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.700 45.1-117.2 -83.3 126.1 32.0 20.7 -4.3 11 15 A D > - 0 0 72 -2,-0.5 4,-1.6 1,-0.1 3,-0.2 -0.492 26.8-120.3 -62.0 132.2 30.5 17.9 -6.4 12 16 A P T 4 S+ 0 0 75 0, 0.0 4,-0.5 0, 0.0 359,-0.2 0.860 108.4 31.0 -41.1 -50.1 30.3 19.2 -10.0 13 17 A I T > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.1 3,-0.1 0.747 109.7 65.4 -86.0 -25.7 26.5 18.8 -10.2 14 18 A L H > S+ 0 0 93 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.822 92.5 61.0 -69.2 -31.9 25.5 19.5 -6.6 15 19 A G H X S+ 0 0 31 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.924 102.9 54.3 -59.2 -40.5 26.6 23.1 -6.5 16 20 A L H > S+ 0 0 29 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.902 99.6 60.5 -58.0 -47.4 24.1 23.7 -9.3 17 21 A A H X S+ 0 0 37 -4,-1.2 4,-2.9 1,-0.2 3,-0.2 0.941 110.0 41.0 -45.8 -57.0 21.2 22.2 -7.3 18 22 A D H < S+ 0 0 95 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.0 51.9 -62.3 -44.8 21.6 24.8 -4.6 19 23 A L H X S+ 0 0 80 -4,-2.2 4,-1.4 1,-0.2 3,-0.5 0.830 112.5 48.5 -61.7 -33.4 22.3 27.8 -6.9 20 24 A F H >< S+ 0 0 47 -4,-2.6 2,-3.0 1,-0.3 3,-0.9 0.978 106.0 55.2 -69.4 -56.9 19.1 26.8 -8.7 21 25 A R T 3< S+ 0 0 177 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 -0.316 114.2 43.5 -76.5 61.6 17.1 26.5 -5.5 22 26 A A T 34 S+ 0 0 70 -2,-3.0 2,-0.6 -3,-0.5 -1,-0.2 0.114 77.0 113.5-167.8 -40.8 18.1 30.1 -4.7 23 27 A D << - 0 0 22 -4,-1.4 5,-0.2 -3,-0.9 -1,-0.1 -0.276 52.4-160.6 -52.4 99.6 17.7 31.8 -8.0 24 28 A E + 0 0 133 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.391 69.8 90.5 -68.1 2.4 14.8 34.2 -7.1 25 29 A R > - 0 0 168 1,-0.1 3,-1.7 2,-0.0 2,-0.6 -0.769 66.6-161.4-102.0 86.9 13.9 34.7 -10.8 26 30 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.277 77.3 83.7 -52.7 5.7 11.3 31.8 -11.2 27 31 A G T 3 S+ 0 0 66 -2,-0.6 -3,-0.1 2,-0.1 -2,-0.0 0.493 72.1 130.0 -85.7 -2.6 11.6 31.9 -15.1 28 32 A K < - 0 0 50 -3,-1.7 2,-0.5 -5,-0.2 339,-0.2 -0.156 46.6-157.9 -56.1 140.1 14.6 29.7 -14.3 29 33 A I E -a 367 0A 7 337,-1.6 339,-3.2 336,-0.1 2,-0.8 -0.973 6.2-150.4-123.1 120.0 15.3 26.3 -16.1 30 34 A N E +a 368 0A 31 -2,-0.5 3,-0.3 337,-0.2 339,-0.2 -0.806 24.3 164.6 -95.8 111.6 17.6 23.7 -14.5 31 35 A L + 0 0 1 337,-2.7 345,-2.6 -2,-0.8 339,-0.2 0.390 61.1 76.7-103.7 3.6 19.2 21.6 -17.1 32 36 A G + 0 0 5 343,-0.2 -1,-0.2 337,-0.2 -15,-0.1 -0.113 65.2 110.6-104.6 39.8 21.9 20.0 -15.0 33 37 A I - 0 0 33 -3,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.977 54.7-157.8 -79.4 -60.7 19.7 17.5 -13.3 34 38 A G + 0 0 8 1,-0.4 2,-0.2 -3,-0.2 313,-0.1 0.160 63.3 96.4 99.3 -21.8 20.4 13.9 -14.4 35 39 A V S S- 0 0 38 341,-0.1 -1,-0.4 312,-0.0 2,-0.3 -0.632 80.8-107.0 -98.8 156.9 16.9 12.6 -13.5 36 40 A Y - 0 0 13 -2,-0.2 2,-0.4 -3,-0.1 343,-0.1 -0.648 34.0-168.1 -83.9 146.5 14.0 12.3 -16.0 37 41 A K - 0 0 56 -2,-0.3 6,-0.2 341,-0.3 343,-0.1 -0.983 14.5-130.8-134.7 141.7 11.1 14.8 -15.8 38 42 A D > - 0 0 41 4,-2.7 3,-3.1 -2,-0.4 4,-0.2 -0.238 48.3 -78.0 -80.5-179.2 7.8 14.6 -17.6 39 43 A E T 3 S+ 0 0 93 1,-0.3 344,-0.3 2,-0.1 -1,-0.1 0.645 133.9 55.5 -54.5 -16.5 6.2 17.5 -19.6 40 44 A T T 3 S- 0 0 101 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.383 118.4-110.6 -94.5 -2.5 5.2 19.1 -16.2 41 45 A G S < S+ 0 0 34 -3,-3.1 2,-0.4 1,-0.3 -2,-0.1 0.907 77.7 130.3 71.9 40.8 8.8 19.0 -14.9 42 46 A K - 0 0 129 -4,-0.2 -4,-2.7 2,-0.0 -1,-0.3 -0.969 57.4-143.1-129.7 140.9 7.9 16.4 -12.4 43 47 A T - 0 0 52 -2,-0.4 -6,-0.1 -6,-0.2 2,-0.0 -0.797 34.8-168.7-102.0 88.0 9.7 13.1 -11.7 44 48 A P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -8,-0.1 -0.259 27.5-110.7 -77.8 162.3 6.7 10.8 -11.0 45 49 A V - 0 0 69 1,-0.1 204,-0.1 205,-0.1 5,-0.1 -0.844 48.8-107.0 -92.4 117.6 6.7 7.3 -9.6 46 50 A L > - 0 0 11 -2,-0.6 4,-2.1 202,-0.4 5,-0.1 -0.047 15.4-126.2 -43.6 147.5 5.7 5.0 -12.4 47 51 A T H > S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.938 111.0 55.1 -64.0 -43.9 2.2 3.5 -12.4 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 109.0 47.4 -56.8 -40.7 3.6 0.0 -12.8 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 110.4 51.7 -72.1 -33.5 5.8 0.5 -9.7 50 54 A K H X S+ 0 0 121 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.906 112.4 46.0 -67.3 -38.8 2.9 1.9 -7.7 51 55 A K H X S+ 0 0 109 -4,-2.7 4,-2.3 2,-0.2 3,-0.3 0.932 112.2 52.1 -65.8 -43.4 0.9 -1.1 -8.6 52 56 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.905 109.0 50.3 -58.8 -42.8 3.8 -3.3 -7.8 53 57 A E H X S+ 0 0 45 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.788 107.7 51.1 -68.1 -33.3 4.2 -1.6 -4.4 54 58 A Q H X S+ 0 0 94 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.913 109.9 52.7 -69.2 -40.5 0.5 -2.1 -3.4 55 59 A Y H X S+ 0 0 118 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.939 111.6 44.4 -58.0 -49.5 1.0 -5.8 -4.4 56 60 A L H X S+ 0 0 14 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.901 110.4 54.9 -62.8 -43.2 4.0 -6.1 -2.1 57 61 A L H < S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 113.6 43.3 -58.0 -36.2 2.3 -4.2 0.7 58 62 A E H < S+ 0 0 135 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.895 124.3 33.1 -77.7 -37.9 -0.5 -6.7 0.5 59 63 A N H < S+ 0 0 91 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.642 83.9 106.6 -98.9 -16.4 1.7 -9.8 0.2 60 64 A E < + 0 0 70 -4,-3.1 3,-0.1 -5,-0.2 -4,-0.0 -0.453 33.1 174.2 -67.9 136.6 4.9 -9.3 2.2 61 66 A T + 0 0 140 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.488 62.4 18.5-117.3 -8.1 5.0 -11.4 5.4 62 67 A T - 0 0 91 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.979 47.6-149.4-158.0 162.4 8.5 -10.7 6.6 63 68 A K + 0 0 164 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.052 48.3 148.5-120.6 16.2 11.4 -8.3 6.3 64 69 A N - 0 0 120 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.178 57.8 -76.3 -54.3 147.2 14.0 -11.0 7.0 65 70 A Y - 0 0 177 1,-0.1 2,-0.1 222,-0.0 -1,-0.1 0.002 39.6-133.4 -47.5 144.4 17.4 -10.6 5.2 66 71 A L - 0 0 46 220,-0.3 2,-0.1 1,-0.1 5,-0.1 -0.419 38.0 -89.4 -88.1 171.0 17.9 -11.4 1.6 67 72 A G > - 0 0 39 3,-0.4 3,-3.3 -2,-0.1 -1,-0.1 -0.474 46.2 -96.3 -78.3 160.5 20.9 -13.4 0.6 68 73 A I T 3 S+ 0 0 35 1,-0.3 -1,-0.1 217,-0.2 215,-0.1 0.778 129.0 47.1 -46.0 -35.2 24.1 -11.5 -0.2 69 74 A D T 3 S- 0 0 44 1,-0.3 30,-2.2 29,-0.1 -1,-0.3 0.401 109.5-135.6 -92.5 3.2 23.2 -11.6 -3.9 70 75 A G < - 0 0 5 -3,-3.3 -3,-0.4 28,-0.2 -1,-0.3 -0.341 54.0 -4.5 82.0-160.7 19.6 -10.6 -3.3 71 76 A I > - 0 0 34 1,-0.1 4,-1.6 -5,-0.1 3,-0.4 -0.614 59.7-146.1 -75.6 121.6 16.3 -11.8 -4.7 72 77 A P H > S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.843 97.1 57.1 -54.6 -40.8 17.0 -14.6 -7.3 73 78 A E H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 105.7 53.2 -58.1 -40.3 14.0 -13.7 -9.5 74 79 A F H > S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.944 108.6 51.2 -58.9 -47.0 15.5 -10.3 -9.7 75 80 A G H X S+ 0 0 9 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.919 111.7 42.5 -57.4 -53.4 18.8 -11.9 -10.8 76 81 A R H X S+ 0 0 113 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.906 113.2 55.2 -63.7 -38.4 17.5 -14.1 -13.7 77 82 A C H X S+ 0 0 4 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.914 108.2 48.6 -61.1 -41.7 15.3 -11.2 -14.8 78 83 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.950 111.9 46.9 -67.5 -44.2 18.3 -8.9 -15.1 79 84 A Q H X S+ 0 0 12 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.813 110.7 52.6 -68.7 -24.3 20.4 -11.3 -17.1 80 85 A E H X S+ 0 0 43 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.938 111.5 47.0 -70.7 -45.8 17.6 -12.1 -19.4 81 86 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.880 119.5 41.5 -61.5 -39.4 17.1 -8.4 -20.0 82 87 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.970 128.7 22.2 -74.0 -54.7 20.9 -8.0 -20.5 83 88 A F H < S- 0 0 10 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.570 110.3-101.2 -95.4 -10.1 21.8 -11.0 -22.6 84 89 A G >< - 0 0 8 -4,-2.2 3,-0.7 -5,-0.4 -1,-0.2 -0.135 35.5 -83.0 104.4 156.7 18.6 -12.1 -24.2 85 90 A K T 3 S+ 0 0 90 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.753 125.6 33.5 -73.6 -25.8 16.2 -14.8 -23.4 86 91 A G T 3 S+ 0 0 60 -3,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.235 83.7 151.3-113.8 15.9 17.9 -17.7 -25.2 87 92 A S X> - 0 0 25 -3,-0.7 4,-2.0 1,-0.1 3,-1.4 -0.178 48.9-136.8 -52.3 132.7 21.5 -16.5 -24.5 88 93 A A H 3> S+ 0 0 55 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.842 103.3 66.2 -57.2 -35.8 24.0 -19.3 -24.2 89 94 A L H 34>S+ 0 0 9 1,-0.2 5,-2.2 2,-0.2 6,-0.4 0.809 106.8 41.6 -56.9 -33.2 25.5 -17.5 -21.2 90 95 A I H X45S+ 0 0 27 -3,-1.4 3,-1.3 3,-0.2 -2,-0.2 0.929 114.5 49.3 -81.0 -46.3 22.3 -18.2 -19.4 91 96 A N H 3<5S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.854 114.4 44.2 -61.7 -39.0 21.8 -21.8 -20.6 92 97 A D T 3<5S- 0 0 94 -4,-3.1 173,-0.5 -5,-0.2 -1,-0.3 0.425 109.4-128.3 -84.6 -1.7 25.4 -22.8 -19.8 93 98 A K T < 5 + 0 0 86 -3,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.890 62.3 139.6 54.2 51.2 25.0 -21.0 -16.5 94 99 A R < + 0 0 29 -5,-2.2 168,-2.1 -6,-0.2 2,-0.3 0.068 50.9 74.5-109.6 23.8 28.2 -18.9 -16.8 95 100 A A E -B 261 0B 1 -6,-0.4 2,-0.4 166,-0.2 166,-0.2 -0.973 56.2-170.9-134.8 144.0 26.7 -15.7 -15.4 96 101 A R E -B 260 0B 72 164,-1.9 164,-2.8 -2,-0.3 2,-0.4 -0.997 9.3-152.8-138.0 134.8 25.9 -14.8 -11.8 97 102 A T E -B 259 0B 9 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.939 6.6-166.4-118.2 129.8 24.0 -11.7 -10.6 98 103 A A E -B 258 0B 0 160,-2.0 160,-2.5 -2,-0.4 2,-0.3 -0.949 24.1-131.0-110.4 124.8 24.2 -9.9 -7.3 99 104 A Q E -B 257 0B 1 -30,-2.2 158,-0.3 -2,-0.5 156,-0.0 -0.639 37.1-176.6 -72.1 135.8 21.5 -7.4 -6.6 100 105 A T E -B 256 0B 0 156,-2.6 2,-2.0 -2,-0.3 156,-1.9 -0.913 39.0 -89.2-137.0 161.7 23.1 -4.1 -5.4 101 106 A P S > S- 0 0 30 0, 0.0 4,-1.0 0, 0.0 154,-0.4 -0.462 93.2 -47.1 -70.8 82.8 22.2 -0.6 -4.1 102 107 A G H > S- 0 0 0 -2,-2.0 4,-1.2 152,-0.4 154,-0.4 -0.047 80.0 -66.9 80.6 172.0 22.0 1.1 -7.5 103 108 A G H > S+ 0 0 7 152,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.821 132.9 57.9 -67.0 -31.1 24.3 1.0 -10.5 104 109 A T H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 104.1 50.7 -66.3 -39.9 27.0 2.8 -8.5 105 110 A G H X S+ 0 0 12 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.841 107.8 53.9 -66.4 -32.9 27.0 0.1 -5.8 106 111 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.872 109.2 48.7 -67.5 -38.3 27.4 -2.5 -8.6 107 112 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.898 111.6 48.8 -69.2 -40.0 30.5 -0.5 -9.8 108 113 A R H X S+ 0 0 84 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.917 111.6 48.2 -66.4 -43.4 32.0 -0.3 -6.3 109 114 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.817 112.3 49.2 -66.6 -32.3 31.5 -4.0 -5.6 110 115 A A H X S+ 0 0 0 -4,-1.5 4,-3.5 2,-0.2 5,-0.3 0.967 111.6 51.0 -67.5 -47.9 33.0 -4.9 -9.0 111 116 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.880 113.2 43.5 -53.1 -49.7 35.9 -2.6 -8.1 112 117 A D H X S+ 0 0 31 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.888 114.5 50.3 -65.8 -42.0 36.5 -4.2 -4.7 113 118 A F H X S+ 0 0 11 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.967 114.9 43.0 -59.8 -52.9 36.1 -7.7 -6.2 114 119 A L H X S+ 0 0 1 -4,-3.5 4,-1.5 1,-0.2 6,-0.6 0.906 113.3 52.8 -60.3 -43.0 38.6 -6.9 -8.9 115 120 A A H < S+ 0 0 33 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.809 119.3 32.6 -65.4 -32.4 41.0 -5.1 -6.5 116 121 A K H < S+ 0 0 166 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.770 125.4 37.4 -96.2 -29.8 41.2 -8.0 -4.0 117 122 A N H < S+ 0 0 61 -4,-2.6 2,-0.2 -5,-0.3 -3,-0.2 0.479 116.1 33.0-105.6 -4.9 40.8 -11.1 -6.2 118 123 A T S < S- 0 0 59 -4,-1.5 0, 0.0 -5,-0.3 0, 0.0 -0.782 77.6-110.9-137.2-176.4 42.8 -10.2 -9.4 119 124 A S + 0 0 98 -2,-0.2 2,-0.2 53,-0.0 -4,-0.1 -0.065 62.3 137.9-109.3 26.9 45.8 -8.3 -10.5 120 125 A V + 0 0 9 -6,-0.6 -2,-0.1 1,-0.2 53,-0.1 -0.607 17.8 165.3 -74.0 140.8 43.9 -5.5 -12.4 121 126 A K + 0 0 135 1,-0.3 22,-2.9 -2,-0.2 2,-0.3 0.629 54.8 45.8-122.7 -46.2 45.5 -2.2 -11.6 122 129 A R E -c 143 0B 99 20,-0.2 52,-1.9 50,-0.1 2,-0.4 -0.786 58.6-160.8-107.4 151.7 44.3 0.3 -14.1 123 133 A V E -cd 144 174B 0 20,-2.5 22,-2.4 -2,-0.3 2,-0.6 -0.999 16.7-138.2-129.5 128.5 40.7 0.9 -15.4 124 134 A W E -cd 145 175B 6 50,-2.9 52,-2.9 -2,-0.4 2,-0.4 -0.813 23.1-175.9 -91.5 118.2 40.2 2.8 -18.7 125 135 A V E -c 146 0B 6 20,-2.7 22,-1.2 -2,-0.6 52,-0.1 -0.890 29.1-108.3-112.3 142.2 37.4 5.3 -18.5 126 136 A S E -c 147 0B 0 -2,-0.4 22,-0.2 50,-0.3 23,-0.1 -0.276 38.6 -97.6 -67.6 158.8 36.2 7.3 -21.5 127 137 A N S S+ 0 0 80 20,-1.1 23,-1.5 1,-0.2 22,-0.4 -0.941 112.8 22.1-122.6 107.7 36.9 11.0 -21.8 128 138 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.548 90.2 140.1 -88.9 178.1 34.5 12.3 -21.0 129 139 A S - 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0 0 55 0, 0.0 4,-0.7 0, 0.0 5,-0.1 -0.561 34.7-155.1 -68.0 118.4 17.8 -3.4 -0.0 288 300 A A H > S+ 0 0 33 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 0.861 72.6 71.2 -68.5 -35.4 14.8 -5.5 -0.9 289 301 A H H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.898 100.3 36.8 -50.5 -67.9 12.2 -2.9 -1.9 290 302 A G H > S+ 0 0 1 -37,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.859 121.4 48.6 -56.9 -37.0 13.2 -1.4 -5.2 291 303 A A H X S+ 0 0 0 -4,-0.7 4,-2.6 -38,-0.2 -1,-0.2 0.848 108.5 52.9 -72.2 -36.6 14.4 -4.8 -6.3 292 304 A S H X S+ 0 0 18 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.964 108.7 51.8 -62.0 -46.1 11.2 -6.5 -5.2 293 305 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.940 112.2 44.4 -55.3 -49.2 9.3 -4.0 -7.3 294 306 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 112.6 53.4 -63.3 -39.0 11.5 -4.7 -10.4 295 307 A A H X S+ 0 0 6 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.928 112.6 41.9 -63.4 -45.8 11.2 -8.5 -9.8 296 308 A T H X S+ 0 0 31 -4,-2.8 4,-1.3 2,-0.2 3,-0.4 0.922 115.3 50.3 -71.0 -39.5 7.4 -8.5 -9.7 297 309 A I H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.3 7,-0.5 0.987 112.0 45.2 -59.0 -63.1 6.9 -6.1 -12.6 298 310 A L H 3< S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.639 117.0 47.2 -56.3 -18.5 9.2 -7.9 -15.0 299 311 A S H 3< S+ 0 0 56 -4,-0.8 2,-0.8 -3,-0.4 -1,-0.3 0.566 98.4 68.4-102.1 -13.1 7.6 -11.2 -14.1 300 312 A N S S+ 0 0 135 -2,-0.8 4,-0.9 1,-0.2 -1,-0.1 0.620 91.1 57.2 -65.3 -9.8 3.4 -9.8 -17.9 302 314 A A H > S+ 0 0 58 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.911 114.4 39.8 -78.5 -46.7 0.4 -7.6 -17.4 303 315 A L H > S+ 0 0 16 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.876 113.7 53.8 -67.6 -38.2 2.6 -5.3 -15.2 304 316 A R H X S+ 0 0 45 -4,-3.0 4,-2.1 -7,-0.5 -1,-0.2 0.811 105.6 54.9 -68.2 -28.0 5.5 -5.7 -17.6 305 317 A A H X S+ 0 0 57 -4,-0.9 4,-1.5 -5,-0.2 -1,-0.2 0.903 109.7 45.8 -69.5 -43.9 3.3 -4.6 -20.5 306 318 A I H X S+ 0 0 65 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.929 112.8 50.5 -64.7 -46.7 2.4 -1.4 -18.7 307 319 A W H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.931 107.1 53.3 -57.6 -50.6 6.1 -0.7 -17.6 308 320 A E H X S+ 0 0 75 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.899 109.6 49.3 -52.5 -43.1 7.4 -1.1 -21.2 309 321 A Q H X S+ 0 0 102 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.931 109.0 52.0 -64.4 -42.8 4.8 1.4 -22.4 310 322 A E H X S+ 0 0 33 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.879 111.9 47.9 -62.1 -33.9 5.9 3.8 -19.6 311 323 A L H X S+ 0 0 3 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.914 109.9 49.3 -74.5 -42.4 9.5 3.4 -20.7 312 324 A T H X S+ 0 0 25 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.874 110.7 52.9 -66.4 -28.4 8.8 3.9 -24.4 313 325 A D H X S+ 0 0 86 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.869 110.7 46.7 -68.9 -39.9 6.8 7.1 -23.4 314 326 A M H X S+ 0 0 10 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.959 114.2 47.4 -64.7 -49.3 9.8 8.3 -21.5 315 327 A R H X S+ 0 0 33 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.906 112.8 48.6 -58.3 -46.3 12.2 7.5 -24.4 316 328 A Q H X S+ 0 0 65 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.850 106.5 55.7 -66.2 -33.4 9.9 9.2 -26.9 317 329 A R H X S+ 0 0 15 -4,-1.8 4,-2.0 2,-0.2 3,-0.3 0.962 109.1 47.9 -62.7 -47.5 9.5 12.3 -24.8 318 330 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.930 111.0 50.8 -57.6 -45.8 13.3 12.7 -24.7 319 331 A Q H X S+ 0 0 69 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.813 108.5 52.4 -64.1 -30.7 13.5 12.2 -28.5 320 332 A R H X S+ 0 0 145 -4,-1.9 4,-3.0 -3,-0.3 -1,-0.2 0.860 110.4 48.1 -73.3 -33.5 10.8 14.8 -29.1 321 333 A M H X S+ 0 0 5 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.840 109.2 50.7 -75.4 -34.0 12.7 17.4 -27.0 322 334 A R H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.932 117.5 43.6 -65.5 -40.9 16.0 16.7 -28.8 323 335 A Q H X S+ 0 0 94 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.918 116.3 44.1 -67.2 -47.3 14.0 17.2 -32.0 324 336 A L H X S+ 0 0 53 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.650 110.0 58.5 -75.6 -16.5 12.1 20.2 -30.8 325 337 A F H X S+ 0 0 1 -4,-1.4 4,-1.8 2,-0.2 5,-0.2 0.936 101.8 54.1 -76.3 -47.6 15.3 21.7 -29.3 326 338 A V H X S+ 0 0 12 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.932 116.1 35.5 -53.0 -55.0 17.1 21.7 -32.6 327 339 A N H < S+ 0 0 77 -4,-1.5 4,-0.2 2,-0.2 -1,-0.2 0.773 110.2 59.3 -77.9 -21.7 14.4 23.7 -34.6 328 340 A T H >X S+ 0 0 14 -4,-1.2 4,-1.5 1,-0.2 3,-0.7 0.851 107.6 51.3 -70.6 -27.4 13.3 26.0 -31.8 329 341 A L H 3X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.924 107.1 52.4 -70.1 -41.4 17.0 27.1 -31.8 330 342 A Q H 3< S+ 0 0 121 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.426 109.8 49.7 -73.7 -1.4 16.7 27.6 -35.6 331 343 A E H <4 S+ 0 0 149 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.647 104.6 55.2-104.0 -31.2 13.7 29.8 -35.1 332 344 A K H < S- 0 0 82 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.1 0.598 116.6-119.4 -76.1 -12.5 15.2 32.0 -32.4 333 345 A G < + 0 0 48 -4,-0.7 2,-0.3 1,-0.2 -3,-0.1 0.953 51.0 143.6 76.0 104.7 18.0 32.6 -34.9 334 346 A A - 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