==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-11 3S6H . COMPND 2 MOLECULE: N-ACETYLGLUTAMATE KINASE / N-ACETYLGLUTAMATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: MARICAULIS MARIS; . AUTHOR D.SHI,Y.LI,J.CABRERA-LUQUE,Z.JIN,X.YU,N.M.ALLEWELL,M.TUCHMAN . 1716 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1209 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 201 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 122 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 494 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.1 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 9 6 3 4 5 4 5 7 9 2 4 0 1 0 0 1 0 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 11 5 6 6 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 . 12 3 7 14 2 2 0 4 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 . 1 1 1 2 0 0 2 2 0 0 0 0 2 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 A > 0 0 91 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -41.3 46.6 6.1 81.5 2 6 A P H > + 0 0 86 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.390 360.0 65.7 -72.0 2.9 44.9 6.1 78.0 3 7 A G H > S+ 0 0 48 2,-0.2 4,-1.0 3,-0.1 5,-0.2 0.897 103.6 39.4 -86.7 -56.0 48.3 4.8 76.8 4 8 A V H >> S+ 0 0 93 2,-0.2 4,-2.1 3,-0.1 3,-1.5 0.995 118.1 52.5 -47.1 -69.6 48.2 1.5 78.6 5 9 A R H 3X S+ 0 0 63 -4,-1.6 4,-1.8 1,-0.3 5,-0.4 0.848 98.5 60.6 -33.3 -78.3 44.5 1.1 77.9 6 10 A Q H 3X S+ 0 0 112 -4,-0.9 4,-1.0 1,-0.2 -1,-0.3 0.699 119.9 26.5 -19.1 -50.9 44.6 1.7 74.1 7 11 A T H << S+ 0 0 54 -3,-1.5 -1,-0.2 -4,-1.0 -2,-0.2 0.897 111.4 61.0 -94.9 -48.5 46.8 -1.4 73.6 8 12 A I H X S+ 0 0 34 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.671 114.5 43.8 -54.4 -18.2 46.2 -3.8 76.5 9 13 A V H X S+ 0 0 13 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.818 98.6 68.4 -89.6 -42.7 42.7 -3.8 75.0 10 14 A Q H < S+ 0 0 60 -4,-1.0 -2,-0.2 -5,-0.4 -1,-0.1 0.348 106.1 47.9 -60.5 11.7 43.8 -4.1 71.4 11 15 A L H >4 S+ 0 0 30 -4,-0.1 3,-2.7 -3,-0.1 4,-0.2 0.695 108.6 45.3-111.3 -70.2 44.8 -7.5 72.6 12 16 A L H >< S+ 0 0 2 -4,-0.9 3,-3.6 1,-0.3 6,-0.3 0.806 93.1 81.8 -38.7 -39.8 41.8 -8.9 74.5 13 17 A S T 3< S+ 0 0 43 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.734 101.5 39.5 -47.3 -16.9 39.7 -7.6 71.6 14 18 A H T < S+ 0 0 15 -3,-2.7 -1,-0.3 -5,-0.2 2,-0.3 0.386 99.3 96.5-111.9 -1.1 40.9 -10.9 70.1 15 19 A M S X S- 0 0 10 -3,-3.6 3,-2.7 -4,-0.2 4,-0.4 -0.701 82.1-119.9 -90.8 142.7 40.6 -13.0 73.3 16 20 A R T 3 S+ 0 0 145 1,-0.3 3,-0.4 -2,-0.3 2,-0.2 0.920 117.4 34.4 -46.9 -57.8 37.6 -15.2 74.0 17 21 A D T 3> S+ 0 0 12 1,-0.2 4,-1.1 2,-0.1 -1,-0.3 -0.072 89.0 113.2 -86.7 39.8 36.8 -13.3 77.2 18 22 A G H <> + 0 0 0 -3,-2.7 4,-3.4 -6,-0.3 5,-0.2 0.946 68.1 56.5 -74.4 -50.3 38.1 -10.0 75.7 19 23 A K H > S+ 0 0 93 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.905 108.7 44.3 -44.8 -56.3 34.7 -8.2 75.6 20 24 A E H > S+ 0 0 38 255,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 116.2 47.2 -68.3 -30.4 33.9 -8.6 79.4 21 25 A I H X S+ 0 0 2 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.952 109.5 53.8 -71.9 -47.5 37.5 -7.6 80.4 22 26 A R H X S+ 0 0 68 -4,-3.4 4,-1.4 2,-0.2 3,-0.2 0.901 108.2 52.7 -47.1 -44.6 37.5 -4.6 78.0 23 27 A E H X S+ 0 0 96 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.980 103.0 53.1 -63.1 -58.8 34.3 -3.5 79.7 24 28 A Y H X S+ 0 0 24 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.819 109.4 54.3 -39.0 -38.5 35.5 -3.5 83.3 25 29 A L H < S+ 0 0 9 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.993 108.8 43.2 -64.8 -77.3 38.4 -1.3 82.1 26 30 A H H >< S+ 0 0 99 -4,-1.4 3,-1.1 1,-0.2 4,-0.2 0.822 114.1 54.2 -23.7 -54.0 36.4 1.5 80.5 27 31 A R H 3< S+ 0 0 117 -4,-2.8 2,-0.6 1,-0.3 3,-0.3 0.988 119.6 31.1 -55.1 -58.5 34.1 1.3 83.5 28 32 A F T 3< S+ 0 0 12 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 -0.299 83.7 126.7 -95.7 51.5 36.9 1.8 86.0 29 33 A S S < S- 0 0 38 -3,-1.1 2,-0.2 -2,-0.6 -1,-0.2 0.932 76.2 -4.6 -78.4 -50.8 39.3 4.0 83.8 30 34 A G S S+ 0 0 22 -3,-0.3 2,-9.1 -4,-0.2 134,-0.0 -0.622 128.2 11.1-123.2-170.9 40.0 7.0 86.0 31 35 A I S S+ 0 0 154 1,-0.3 3,-0.2 -2,-0.2 -3,-0.1 0.290 120.7 63.1 29.4 -19.5 38.7 8.2 89.4 32 36 A D > + 0 0 52 -2,-9.1 3,-1.6 1,-0.1 4,-0.5 0.092 63.5 115.5-114.8 20.9 37.0 4.8 90.0 33 37 A Q G > S+ 0 0 41 1,-0.3 3,-0.7 2,-0.2 33,-0.4 0.903 84.7 40.2 -52.5 -41.3 40.3 2.9 90.0 34 38 A E G 3 S+ 0 0 39 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.371 102.7 72.9 -94.6 7.6 39.7 2.0 93.6 35 39 A R G < S+ 0 0 91 -3,-1.6 166,-1.9 1,-0.1 167,-0.3 0.479 76.8 80.0 -99.4 1.4 36.0 1.4 93.1 36 40 A F S < S+ 0 0 0 -3,-0.7 166,-1.6 -4,-0.5 2,-0.3 0.932 97.8 1.1 -74.9 -48.1 36.3 -1.9 91.3 37 41 A A B -a 202 0A 1 29,-0.3 31,-0.9 164,-0.2 166,-0.2 -0.996 34.3-161.1-149.8 149.0 36.9 -4.5 94.0 38 42 A V - 0 0 0 164,-0.6 2,-0.3 -2,-0.3 31,-0.1 -0.456 29.9-168.2-121.9 61.9 37.3 -5.2 97.7 39 43 A I - 0 0 0 164,-0.1 31,-2.5 166,-0.1 2,-0.5 -0.284 2.8-160.7 -50.6 109.0 39.0 -8.6 97.6 40 44 A K E -bc 70 205A 24 164,-3.5 166,-3.3 -2,-0.3 2,-0.4 -0.831 6.0-156.6 -95.7 128.3 39.1 -10.3 101.1 41 45 A V E - c 0 206A 0 29,-2.3 31,-0.5 -2,-0.5 2,-0.2 -0.879 17.9-120.4-107.5 134.6 41.7 -13.1 101.6 42 46 A G >> - 0 0 25 164,-1.2 4,-1.4 -2,-0.4 3,-1.3 -0.489 19.4-129.6 -66.8 136.1 41.4 -15.9 104.2 43 47 A G T 34 S+ 0 0 9 1,-0.3 4,-0.3 29,-0.2 33,-0.3 0.831 111.8 59.2 -52.4 -31.0 44.4 -15.9 106.6 44 48 A A T 3> S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.775 100.3 54.2 -70.0 -27.7 44.6 -19.5 105.7 45 49 A V T <4 S+ 0 0 11 -3,-1.3 4,-0.3 1,-0.2 8,-0.2 0.802 100.1 56.7 -83.2 -28.5 45.1 -18.8 102.0 46 50 A I T < S+ 0 0 12 -4,-1.4 -1,-0.2 3,-0.1 -2,-0.2 0.627 109.2 56.6 -70.6 -8.8 48.1 -16.4 102.4 47 51 A Q T 4 S+ 0 0 89 -4,-0.3 -2,-0.2 -3,-0.3 3,-0.2 0.958 121.1 13.0 -85.7 -70.4 49.5 -19.5 104.2 48 52 A D S < S+ 0 0 120 -4,-1.6 -3,-0.1 1,-0.2 -2,-0.1 0.997 135.6 33.6 -68.2 -64.5 49.5 -22.4 101.8 49 53 A D > + 0 0 66 -4,-0.3 4,-2.3 -5,-0.3 3,-0.3 0.129 67.9 133.1 -92.8 18.8 48.7 -20.8 98.4 50 54 A L H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.789 74.9 53.4 -38.2 -45.4 50.5 -17.4 98.6 51 55 A P H > S+ 0 0 94 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.982 111.2 42.6 -57.2 -61.2 52.1 -17.8 95.2 52 56 A G H > S+ 0 0 28 -3,-0.3 4,-1.1 1,-0.2 -2,-0.2 0.836 114.0 55.2 -51.3 -36.1 48.8 -18.5 93.3 53 57 A L H >X S+ 0 0 0 -4,-2.3 4,-1.8 -8,-0.2 3,-1.4 0.982 108.9 44.8 -60.3 -57.9 47.2 -15.7 95.3 54 58 A A H 3X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.854 109.2 58.8 -54.6 -38.1 49.8 -13.2 94.2 55 59 A S H 3X S+ 0 0 18 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.3 0.685 110.7 40.4 -72.4 -20.1 49.5 -14.4 90.7 56 60 A A H XX S+ 0 0 5 -3,-1.4 4,-1.8 -4,-1.1 3,-1.4 0.892 116.4 46.6 -82.7 -69.8 45.8 -13.7 90.5 57 61 A L H 3X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.3 -2,-0.2 0.778 115.8 52.3 -36.4 -31.1 45.9 -10.4 92.3 58 62 A A H 3X S+ 0 0 2 -4,-1.9 4,-1.5 -5,-0.4 -1,-0.3 0.891 102.9 54.1 -76.0 -42.3 48.9 -9.8 90.0 59 63 A F H << S+ 0 0 6 -3,-1.4 -2,-0.2 -4,-0.9 6,-0.2 0.828 110.1 49.4 -63.4 -32.4 47.0 -10.6 86.7 60 64 A L H >X>S+ 0 0 2 -4,-1.8 3,-3.2 1,-0.2 4,-1.3 0.997 108.1 51.0 -65.8 -66.1 44.3 -8.1 87.7 61 65 A Q H 3<5S+ 0 0 23 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.772 107.1 59.0 -39.3 -32.5 46.8 -5.3 88.4 62 66 A T T 3<5S+ 0 0 37 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.408 104.4 45.6 -91.4 5.2 48.4 -6.0 85.0 63 67 A V T <45S- 0 0 2 -3,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.599 130.1 -80.4-113.5 -18.4 45.4 -5.4 82.8 64 68 A G T <5S+ 0 0 28 -4,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.073 90.9 124.0 150.6 -15.7 44.2 -2.1 84.5 65 69 A L < - 0 0 3 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.571 39.2-167.1 -90.4 116.2 42.4 -3.4 87.5 66 70 A T - 0 0 3 -2,-0.6 -29,-0.3 -33,-0.4 -30,-0.2 -0.721 12.0-160.5-109.4 89.0 43.5 -2.1 90.9 67 71 A P - 0 0 0 0, 0.0 102,-1.4 0, 0.0 2,-0.2 0.139 20.2-136.1 -39.9 159.1 42.0 -4.2 93.8 68 72 A V - 0 0 1 -31,-0.9 2,-0.3 100,-0.2 102,-0.1 -0.716 33.5-165.1-118.5 79.8 41.8 -3.1 97.4 69 73 A V - 0 0 0 -2,-0.2 102,-3.0 100,-0.2 2,-0.4 -0.495 7.1-171.5 -73.4 123.8 43.0 -6.4 98.9 70 74 A V E +bd 40 171A 0 -31,-2.5 -29,-2.3 -2,-0.3 2,-0.2 -0.937 6.3 176.5-119.9 137.1 42.3 -6.9 102.6 71 75 A H E - d 0 172A 2 100,-1.9 102,-1.2 -2,-0.4 -29,-0.1 -0.783 22.3-158.7-135.5 174.0 43.6 -9.7 104.8 72 76 A G - 0 0 25 -31,-0.5 2,-4.2 -2,-0.2 -29,-0.2 -0.065 34.3-120.6-159.1 42.5 43.7 -10.9 108.4 73 77 A G > + 0 0 1 36,-0.1 4,-0.6 -31,-0.1 3,-0.4 0.016 44.8 174.9 56.2 -38.2 46.5 -13.3 109.3 74 78 A G H >> + 0 0 19 -2,-4.2 3,-2.2 1,-0.2 4,-1.0 0.133 59.3 5.5 38.9-138.3 44.3 -16.2 110.5 75 79 A P H >> S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 3,-1.1 0.852 125.4 57.6 -40.5 -62.2 45.9 -19.6 111.4 76 80 A Q H 3> S+ 0 0 64 -3,-0.4 4,-1.2 1,-0.3 -2,-0.2 0.737 109.5 52.1 -45.0 -21.7 49.6 -18.6 111.2 77 81 A L H X S+ 0 0 66 -4,-2.5 4,-1.3 1,-0.2 3,-0.6 0.933 115.4 41.8 -58.4 -49.4 49.9 -20.7 116.0 80 84 A A H 3X S+ 0 0 32 -4,-1.2 4,-1.1 -5,-0.3 5,-0.3 0.770 109.7 59.4 -67.8 -29.5 52.1 -17.7 116.7 81 85 A L H 3< S+ 0 0 11 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.659 108.6 44.7 -75.1 -17.0 49.6 -16.6 119.4 82 86 A E H << S+ 0 0 117 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.679 101.1 70.1 -96.1 -25.3 50.1 -19.9 121.2 83 87 A A H < S+ 0 0 75 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.980 113.6 25.7 -48.2 -81.5 53.9 -19.7 120.8 84 88 A A S < S- 0 0 82 -4,-1.1 2,-0.2 1,-0.2 -1,-0.2 0.898 120.2-142.6 -48.5 -43.5 54.4 -16.8 123.2 85 89 A D + 0 0 100 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.716 68.8 114.4 113.7-159.4 51.1 -18.1 124.8 86 90 A I + 0 0 87 -2,-0.2 2,-0.5 1,-0.2 12,-0.2 0.945 50.0 150.5 50.8 55.4 48.0 -16.6 126.4 87 91 A P + 0 0 33 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.975 31.1 58.7-117.4 120.2 45.8 -17.8 123.5 88 92 A T + 0 0 116 -2,-0.5 8,-0.3 8,-0.3 -6,-0.0 -0.667 47.0 113.0 174.6-113.4 42.1 -18.7 124.2 89 93 A E + 0 0 82 -2,-0.2 7,-1.8 6,-0.1 -1,-0.3 0.674 17.2 170.7 13.9 126.4 39.2 -16.6 125.5 90 94 A R + 0 0 158 5,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.034 11.1 167.6-137.2 26.1 36.2 -15.7 123.4 91 95 A V S S+ 0 0 91 53,-0.1 4,-0.1 2,-0.1 54,-0.1 0.539 75.0 22.0 -12.3 -52.1 34.0 -14.2 126.2 92 96 A D S S- 0 0 93 2,-0.7 3,-0.1 52,-0.1 -2,-0.1 0.806 118.6 -76.7 -86.8-101.1 31.5 -12.7 123.6 93 97 A G S S+ 0 0 66 2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.189 116.6 62.1-148.7 -8.3 31.4 -14.2 120.1 94 98 A L S S- 0 0 67 -4,-0.2 -2,-0.7 1,-0.1 -1,-0.1 -0.770 99.3 -88.8-110.6 167.1 34.6 -12.5 119.0 95 99 A R - 0 0 76 -2,-0.3 2,-0.5 -4,-0.1 -5,-0.3 -0.261 28.6-126.0 -70.9 158.5 37.9 -13.2 120.6 96 100 A V - 0 0 16 -7,-1.8 2,-0.4 -8,-0.3 -8,-0.3 -0.945 28.2-177.4-100.3 127.9 39.4 -11.4 123.5 97 101 A T B -i 146 0B 14 48,-1.7 50,-3.0 -2,-0.5 87,-0.2 -0.941 8.1-164.0-131.0 110.8 42.9 -10.1 122.7 98 102 A R >> - 0 0 94 -2,-0.4 3,-2.4 48,-0.3 4,-1.0 -0.307 40.8 -83.4 -93.6 172.4 44.7 -8.3 125.5 99 103 A D G >4 S+ 0 0 83 1,-0.3 3,-0.8 2,-0.2 -1,-0.0 0.811 125.4 58.1 -43.4 -42.0 47.7 -6.0 125.6 100 104 A E G 34 S+ 0 0 119 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.749 102.5 53.4 -66.0 -25.6 50.1 -8.9 125.5 101 105 A A G <> S+ 0 0 10 -3,-2.4 4,-2.4 2,-0.1 3,-0.3 0.768 94.8 75.2 -78.5 -25.0 48.7 -10.3 122.3 102 106 A I H S+ 0 0 45 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.806 117.3 44.8 -38.6 -37.5 53.0 -6.7 119.7 104 108 A I H > S+ 0 0 59 -4,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.937 111.3 50.3 -72.8 -50.9 52.6 -10.1 118.1 105 109 A I H X S+ 0 0 15 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.932 113.9 45.6 -51.7 -51.8 49.4 -9.4 116.2 106 110 A R H X S+ 0 0 23 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 117.9 41.0 -64.6 -44.0 50.8 -6.2 114.7 107 111 A D H X S+ 0 0 79 -4,-1.5 4,-1.1 -5,-0.4 -1,-0.2 0.677 115.5 53.7 -80.1 -17.0 54.2 -7.7 113.7 108 112 A T H X S+ 0 0 32 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.876 115.6 36.8 -81.0 -41.0 52.4 -10.9 112.6 109 113 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.903 113.8 57.4 -75.1 -45.2 50.0 -9.1 110.2 110 114 A T H X S+ 0 0 30 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.914 109.7 45.2 -48.6 -50.1 52.6 -6.6 109.2 111 115 A Q H X S+ 0 0 115 -4,-1.1 4,-3.7 1,-0.2 5,-0.2 0.961 111.0 51.7 -61.8 -52.6 54.9 -9.4 108.0 112 116 A A H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.853 110.7 53.1 -47.4 -36.9 52.0 -11.2 106.3 113 117 A N H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.997 112.5 39.0 -63.6 -67.8 51.4 -7.8 104.6 114 118 A L H X S+ 0 0 9 -4,-2.5 4,-3.2 1,-0.2 5,-0.5 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4,-2.0 -4,-0.5 -1,-0.2 0.905 107.3 48.5 -84.0 -48.0 88.5 54.1 86.0 1708 429 Y K H X S+ 0 0 82 -4,-1.4 4,-2.7 1,-0.2 3,-0.3 0.956 109.8 53.8 -49.7 -54.9 86.3 56.1 83.7 1709 430 Y A H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 107.0 50.3 -55.9 -36.7 84.5 53.0 82.6 1710 431 Y F H < S+ 0 0 33 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.905 112.1 49.5 -66.7 -38.0 83.7 52.1 86.2 1711 432 Y A H < S+ 0 0 79 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.892 79.7 110.7 -68.2 -44.9 82.3 55.6 86.7 1712 433 Y L S < S- 0 0 46 -4,-2.7 3,-0.1 -5,-0.1 -3,-0.0 -0.070 78.9-115.3 -30.4 119.1 80.1 55.6 83.6 1713 434 Y P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.289 35.5 -90.7 -63.9 151.4 76.6 55.6 85.1 1714 435 Y P - 0 0 69 0, 0.0 3,-0.0 0, 0.0 -115,-0.0 -0.192 29.2-166.9 -59.9 153.4 74.3 52.5 84.5 1715 436 Y T S S+ 0 0 20 -81,-0.1 -115,-2.0 -3,-0.1 2,-0.3 0.227 74.4 50.4-131.7 5.8 72.1 52.5 81.5 1716 437 Y L B S-D 1599 0W 3 -117,-0.3 2,-0.2 2,-0.1 -117,-0.2 -0.702 84.9-123.0-122.3-178.5 69.9 49.5 82.5 1717 438 Y E - 0 0 109 -119,-0.7 -120,-0.2 -2,-0.3 -2,-0.1 -0.692 49.4 -11.0-115.7 171.8 68.2 49.1 85.8 1718 439 Y A 0 0 52 -2,-0.2 -121,-0.1 1,-0.2 -122,-0.1 0.485 360.0 360.0 58.8-176.0 68.1 46.7 88.7 1719 440 Y P 0 0 134 0, 0.0 -1,-0.2 0, 0.0 -123,-0.1 0.135 360.0 360.0 -32.8 360.0 69.4 43.1 89.2 1720 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1721 501 A E 0 0 3 0, 0.0 -1339,-0.7 0, 0.0 -1369,-0.2 0.000 360.0 360.0 360.0 360.0 10.0 -20.1 72.1 1722 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1723 502 Y E 0 0 4 0, 0.0 -58,-0.8 0, 0.0 -88,-0.2 0.000 360.0 360.0 360.0 360.0 76.7 45.4 78.7