==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-AUG-06 2J0W . COMPND 2 MOLECULE: LYSINE-SENSITIVE ASPARTOKINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.KOTAKA,J.REN,M.LOCKYER,A.R.HAWKINS,D.K.STAMMERS . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 2 1 2 1 1 2 1 1 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 3 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 2 1 2 0 1 0 0 0 1 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 0 0 1 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 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 3 A E 0 0 143 0, 0.0 2,-0.3 0, 0.0 211,-0.2 0.000 360.0 360.0 360.0 73.3 -39.1 39.3 157.1 2 4 A I - 0 0 25 209,-0.2 212,-1.0 205,-0.1 211,-0.9 -0.966 360.0-142.1-150.3 127.6 -39.5 40.0 153.4 3 5 A V E -ab 31 214A 3 27,-2.4 29,-1.6 -2,-0.3 30,-1.2 -0.781 12.8-149.8 -94.3 138.5 -42.2 38.8 151.1 4 6 A V E -ab 33 215A 0 210,-2.7 212,-3.6 -2,-0.4 2,-0.4 -0.934 12.2-159.7-108.1 125.9 -41.2 37.8 147.6 5 7 A S E -ab 34 216A 1 28,-2.5 30,-3.0 -2,-0.5 2,-0.4 -0.885 2.3-160.3-111.0 139.0 -43.8 38.3 144.8 6 8 A K E -ab 35 217A 14 210,-3.8 212,-3.3 -2,-0.4 2,-0.4 -0.957 3.1-167.8-123.6 134.9 -43.9 36.7 141.4 7 9 A F E -ab 36 218A 0 28,-2.8 30,-1.7 -2,-0.4 212,-0.2 -0.973 9.9-154.0-123.6 129.5 -45.7 37.8 138.2 8 10 A G - 0 0 7 210,-1.4 4,-0.4 -2,-0.4 32,-0.2 -0.140 39.4 -75.3 -89.7-173.8 -46.3 35.6 135.1 9 11 A G S > S+ 0 0 18 1,-0.2 3,-2.5 2,-0.2 31,-1.1 0.932 128.3 43.3 -46.1 -68.1 -46.8 36.4 131.5 10 12 A T G > S+ 0 0 45 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.836 108.0 62.8 -50.3 -37.2 -50.4 37.5 131.6 11 13 A S G 3 S+ 0 0 0 1,-0.3 10,-0.4 207,-0.2 -1,-0.3 0.520 120.4 22.0 -70.1 -5.6 -49.7 39.5 134.7 12 14 A V G < S+ 0 0 0 -3,-2.5 -1,-0.3 -4,-0.4 -2,-0.2 0.041 84.8 122.1-147.8 27.0 -47.3 41.8 132.8 13 15 A A S < S- 0 0 27 -3,-1.2 2,-0.3 26,-0.2 -2,-0.1 0.837 83.3 -4.4 -61.4 -36.8 -48.5 41.2 129.3 14 16 A D S > S- 0 0 64 -4,-0.3 4,-3.6 1,-0.1 5,-0.3 -0.923 85.4 -79.8-151.1 176.0 -49.1 44.9 128.8 15 17 A F H > S+ 0 0 23 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.902 123.9 45.2 -45.1 -57.9 -49.1 48.3 130.4 16 18 A D H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 3,-0.4 0.966 116.6 44.6 -52.6 -60.6 -52.5 47.9 132.2 17 19 A A H > S+ 0 0 1 1,-0.3 4,-2.8 2,-0.3 5,-0.2 0.901 111.2 54.2 -49.7 -47.4 -51.7 44.4 133.5 18 20 A M H X S+ 0 0 0 -4,-3.6 4,-1.9 1,-0.2 -1,-0.3 0.906 110.8 47.7 -56.4 -40.4 -48.3 45.6 134.5 19 21 A N H X S+ 0 0 29 -4,-2.5 4,-3.2 -3,-0.4 -2,-0.3 0.944 106.1 54.7 -66.0 -50.7 -50.1 48.3 136.4 20 22 A R H X S+ 0 0 73 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.939 113.6 45.4 -46.6 -47.3 -52.6 45.9 138.1 21 23 A S H X S+ 0 0 0 -4,-2.8 4,-1.8 -10,-0.4 -1,-0.3 0.840 108.8 54.1 -66.3 -35.9 -49.5 44.1 139.2 22 24 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.903 107.0 53.0 -66.2 -39.1 -47.7 47.2 140.3 23 25 A D H >< S+ 0 0 79 -4,-3.2 3,-2.9 1,-0.2 -2,-0.2 0.993 106.8 51.2 -55.9 -65.5 -50.7 48.1 142.5 24 26 A I H >< S+ 0 0 16 -4,-2.0 3,-1.8 1,-0.3 4,-0.4 0.803 104.9 56.6 -38.5 -45.1 -50.6 44.7 144.2 25 27 A V H 3< S+ 0 0 1 -4,-1.8 3,-0.5 1,-0.3 -1,-0.3 0.818 109.3 48.1 -61.2 -28.2 -46.9 45.1 145.0 26 28 A L T << S+ 0 0 80 -3,-2.9 -1,-0.3 -4,-1.1 -2,-0.2 0.063 92.6 75.3-101.2 23.0 -47.8 48.4 146.8 27 29 A S S < S+ 0 0 100 -3,-1.8 2,-0.4 1,-0.3 -1,-0.2 0.465 103.8 40.0-105.1 -11.6 -50.7 46.9 148.8 28 30 A D > - 0 0 42 -3,-0.5 3,-0.9 -4,-0.4 -1,-0.3 -0.980 66.9-159.5-139.6 122.1 -48.2 45.2 151.1 29 31 A A T 3 S+ 0 0 97 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.531 87.1 73.6 -80.9 -5.3 -45.0 47.0 152.2 30 32 A N T 3 + 0 0 69 -28,-0.1 -27,-2.4 2,-0.0 2,-0.9 0.620 69.7 102.0 -80.4 -14.3 -43.3 43.7 153.0 31 33 A V E < +a 3 0A 7 -3,-0.9 -27,-0.2 -6,-0.3 3,-0.1 -0.626 36.5 149.9 -73.0 107.8 -42.9 43.1 149.3 32 34 A R E + 0 0 73 -29,-1.6 145,-1.6 -2,-0.9 2,-0.4 0.559 59.1 49.5-114.0 -21.6 -39.3 44.0 148.8 33 35 A L E -ac 4 177A 0 -30,-1.2 -28,-2.5 -3,-0.2 2,-0.4 -0.982 63.2-170.0-126.8 127.8 -38.4 41.6 145.9 34 36 A V E -ac 5 178A 0 143,-2.2 145,-2.0 -2,-0.4 2,-0.5 -0.922 5.6-159.6-116.0 141.4 -40.4 41.2 142.8 35 37 A V E -ac 6 179A 0 -30,-3.0 -28,-2.8 -2,-0.4 2,-0.4 -0.982 11.9-168.8-122.6 122.6 -39.8 38.5 140.2 36 38 A L E -ac 7 180A 0 143,-1.8 145,-1.9 -2,-0.5 2,-0.2 -0.884 13.4-154.8-116.3 145.7 -41.1 38.9 136.7 37 39 A S - 0 0 0 -30,-1.7 2,-0.1 -2,-0.4 3,-0.1 -0.467 46.5 -84.0 -97.4 177.2 -41.4 36.5 133.8 38 40 A A - 0 0 4 -2,-0.2 79,-0.2 1,-0.1 -1,-0.2 -0.439 60.9 -78.6 -80.8 162.0 -41.4 38.1 130.3 39 41 A S > - 0 0 2 77,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.235 66.9 -73.0 -60.9 148.0 -44.7 39.4 128.9 40 42 A A T 3 S+ 0 0 40 -31,-1.1 -1,-0.1 1,-0.3 2,-0.1 -0.054 119.6 12.1 -41.0 135.3 -47.2 36.9 127.5 41 43 A G T 3> S+ 0 0 34 -3,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.011 98.6 101.1 84.0 -29.6 -46.0 35.5 124.2 42 44 A I H <> S+ 0 0 0 -3,-2.2 4,-3.2 1,-0.2 5,-0.3 0.951 80.4 48.4 -54.3 -56.0 -42.5 36.8 124.3 43 45 A T H > S+ 0 0 5 -4,-0.5 4,-2.5 406,-0.3 -1,-0.2 0.884 112.3 48.6 -55.6 -42.6 -40.8 33.6 125.4 44 46 A N H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 113.2 47.8 -64.7 -41.7 -42.6 31.5 122.7 45 47 A L H X S+ 0 0 30 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.981 113.6 48.0 -60.6 -51.7 -41.6 34.1 120.1 46 48 A L H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.838 111.4 50.4 -56.1 -38.4 -38.0 34.1 121.3 47 49 A V H < S+ 0 0 11 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.894 107.0 53.4 -70.3 -38.2 -37.9 30.3 121.3 48 50 A A H >< S+ 0 0 19 -4,-2.4 3,-0.6 1,-0.2 4,-0.2 0.855 110.0 49.9 -64.3 -32.0 -39.2 30.1 117.8 49 51 A L H >< S+ 0 0 1 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.820 102.7 58.5 -75.3 -31.6 -36.4 32.5 116.8 50 52 A A T 3< S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.2 55,-0.2 0.483 95.2 68.3 -76.4 -0.5 -33.7 30.4 118.5 51 53 A E T < S- 0 0 96 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.661 119.1-102.2 -89.3 -15.8 -34.8 27.5 116.3 52 54 A G < - 0 0 27 -3,-1.2 2,-0.3 -4,-0.2 -2,-0.1 0.749 44.6-164.6 93.6 97.2 -33.4 29.3 113.2 53 55 A L - 0 0 20 -4,-0.4 48,-0.1 44,-0.4 -1,-0.1 -0.885 21.7-107.3-117.8 148.9 -36.0 30.9 111.0 54 56 A E > - 0 0 112 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.210 46.1 -91.3 -65.3 159.9 -35.8 32.2 107.4 55 57 A P H > S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.798 121.2 47.0 -38.4 -49.0 -35.7 36.0 106.7 56 58 A G H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.998 117.4 35.2 -62.3 -77.6 -39.5 36.3 106.3 57 59 A E H > S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.826 116.4 59.2 -47.9 -36.3 -40.9 34.5 109.3 58 60 A R H X S+ 0 0 49 -4,-2.8 4,-2.4 1,-0.2 -1,-0.3 0.963 105.2 47.8 -59.6 -51.2 -37.9 35.7 111.3 59 61 A F H X S+ 0 0 131 -4,-2.2 4,-1.6 -3,-0.5 -1,-0.2 0.832 108.4 54.6 -59.6 -35.1 -38.9 39.3 110.6 60 62 A E H X S+ 0 0 128 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.955 109.9 47.3 -63.8 -47.3 -42.5 38.7 111.6 61 63 A K H X S+ 0 0 50 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.916 109.7 51.8 -60.5 -45.2 -41.4 37.3 114.9 62 64 A L H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.836 112.6 47.5 -62.5 -30.2 -39.0 40.2 115.6 63 65 A D H X S+ 0 0 48 -4,-1.6 4,-3.3 2,-0.2 -1,-0.2 0.891 107.9 51.9 -78.5 -39.1 -41.9 42.6 114.9 64 66 A A H X S+ 0 0 37 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.896 113.4 48.9 -62.1 -34.6 -44.4 40.8 117.1 65 67 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.944 112.4 45.5 -69.6 -46.7 -41.7 41.1 119.7 66 68 A R H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.898 109.9 55.7 -64.3 -39.9 -41.1 44.8 119.1 67 69 A N H >X S+ 0 0 101 -4,-3.3 4,-2.4 1,-0.2 3,-1.1 0.987 104.7 50.8 -54.5 -64.6 -44.8 45.6 119.1 68 70 A I H 3X S+ 0 0 46 -4,-1.7 4,-0.8 1,-0.3 -1,-0.2 0.798 112.4 48.7 -40.9 -40.6 -45.5 44.0 122.5 69 71 A Q H 3X S+ 0 0 2 -4,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.841 112.2 46.6 -73.1 -36.1 -42.7 46.1 124.0 70 72 A F H < S+ 0 0 0 -4,-0.8 3,-1.5 -5,-0.3 4,-0.4 0.882 117.0 54.5 -81.6 -46.5 -46.0 49.4 127.0 73 75 A L H >< S+ 0 0 1 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.912 101.0 58.3 -54.3 -51.7 -43.2 51.9 126.1 74 76 A E T 3< S+ 0 0 148 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.1 0.375 103.6 55.7 -64.3 3.9 -45.6 54.3 124.2 75 77 A R T < S+ 0 0 135 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.464 85.1 101.3-113.7 -8.8 -47.6 54.7 127.5 76 78 A L S < S- 0 0 15 -3,-1.9 51,-0.1 -4,-0.4 -3,-0.0 -0.239 74.2-127.6 -71.3 166.6 -44.8 55.8 129.8 77 79 A R S S+ 0 0 159 1,-0.2 -1,-0.1 49,-0.2 3,-0.1 0.936 104.5 22.6 -80.8 -51.2 -44.2 59.4 130.8 78 80 A Y S > S+ 0 0 168 1,-0.1 3,-0.5 48,-0.1 4,-0.4 -0.648 70.6 162.9-118.1 75.2 -40.5 59.5 129.8 79 81 A P T 3> + 0 0 21 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.430 53.3 88.4 -72.4 2.7 -40.1 56.8 127.2 80 82 A N H 3> S+ 0 0 98 2,-0.2 4,-1.2 3,-0.1 3,-0.1 0.942 83.9 46.7 -70.2 -49.4 -36.8 58.1 125.9 81 83 A V H X> S+ 0 0 69 -3,-0.5 3,-1.2 1,-0.2 4,-1.1 0.982 115.4 41.8 -58.7 -62.0 -34.3 56.5 128.2 82 84 A I H 3> S+ 0 0 2 -4,-0.4 4,-3.3 1,-0.3 5,-0.2 0.703 103.6 70.0 -61.4 -18.0 -35.5 52.9 128.1 83 85 A R H 3X S+ 0 0 103 -4,-0.8 4,-2.8 2,-0.2 -1,-0.3 0.928 96.3 52.5 -64.4 -42.5 -36.1 53.2 124.4 84 86 A E H X S+ 0 0 43 -4,-1.7 4,-2.8 1,-0.2 3,-2.3 0.898 106.5 57.4 -73.7 -40.9 -27.0 33.6 114.1 100 102 A A H 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 96.1 66.4 -57.3 -33.1 -29.6 31.1 115.1 101 103 A A T 3< S+ 0 0 34 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.630 114.8 28.4 -63.4 -13.0 -30.6 30.9 111.4 102 104 A L T <4 S+ 0 0 154 -3,-2.3 2,-0.3 1,-0.5 -2,-0.2 0.727 134.7 11.9-115.0 -42.4 -27.1 29.4 110.7 103 105 A A < - 0 0 68 -4,-2.8 -1,-0.5 2,-0.0 2,-0.3 -0.984 65.9-173.1-136.2 145.4 -26.2 27.6 113.9 104 106 A T + 0 0 81 -2,-0.3 -53,-0.1 -3,-0.1 3,-0.0 -0.989 9.7 159.7-140.4 152.3 -28.3 26.7 117.0 105 107 A S > - 0 0 51 -2,-0.3 4,-2.5 -55,-0.2 3,-0.3 -0.981 52.7-103.2-162.6 159.6 -27.7 25.2 120.4 106 108 A P H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 45,-0.2 0.827 122.0 53.5 -58.2 -26.9 -29.3 25.0 123.8 107 109 A A H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 84,-0.1 0.861 107.9 46.8 -76.1 -36.5 -26.8 27.6 124.9 108 110 A L H > S+ 0 0 36 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.909 112.9 52.3 -69.7 -39.9 -27.6 30.1 122.2 109 111 A T H X S+ 0 0 5 -4,-2.5 4,-3.7 2,-0.2 5,-0.3 0.924 107.9 49.0 -61.0 -47.6 -31.3 29.6 123.0 110 112 A D H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.902 113.9 48.5 -59.8 -40.2 -30.9 30.3 126.7 111 113 A E H X S+ 0 0 54 -4,-1.7 4,-0.5 80,-0.2 -2,-0.2 0.871 116.9 39.9 -69.1 -39.0 -29.0 33.4 125.8 112 114 A L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.2 0.922 116.4 49.5 -77.1 -44.7 -31.5 34.7 123.3 113 115 A V H >< S+ 0 0 0 -4,-3.7 3,-1.6 1,-0.3 4,-0.4 0.813 96.5 71.2 -66.0 -25.9 -34.6 33.6 125.3 114 116 A S H >X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.3 3,-0.6 0.863 81.2 76.9 -57.6 -33.7 -33.2 35.3 128.4 115 117 A H H S+ 0 0 1 -3,-1.6 4,-2.4 -4,-0.2 -77,-0.3 0.967 103.0 40.5 -60.8 -56.6 -37.7 38.4 127.5 117 119 A E H <> S+ 0 0 0 -3,-0.6 4,-1.8 -4,-0.4 -1,-0.2 0.742 112.0 60.5 -66.5 -20.4 -37.5 38.8 131.3 118 120 A L H X S+ 0 0 11 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.970 108.4 41.3 -70.2 -49.3 -34.8 41.4 130.7 119 121 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.912 114.7 51.9 -64.1 -42.0 -37.1 43.7 128.8 120 122 A S H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.940 110.4 46.4 -62.2 -47.7 -40.1 43.1 131.1 121 123 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.819 109.4 55.9 -65.6 -30.0 -38.3 43.9 134.3 122 124 A L H X S+ 0 0 22 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.914 111.4 43.3 -67.0 -41.4 -36.8 47.1 132.8 123 125 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.4 0.930 108.4 57.7 -70.4 -44.6 -40.2 48.4 131.9 124 126 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 5,-0.2 0.916 102.9 53.6 -54.0 -45.0 -41.8 47.4 135.2 125 127 A V H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.3 -1,-0.3 0.905 109.3 50.9 -56.3 -38.7 -39.2 49.5 137.1 126 128 A E H X S+ 0 0 38 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.3 0.862 106.7 52.3 -66.1 -37.4 -40.3 52.4 134.9 127 129 A I H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.812 112.7 47.5 -68.3 -26.6 -43.9 51.8 135.6 128 130 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.842 111.6 47.1 -82.2 -36.2 -43.0 51.9 139.3 129 131 A R H >< S+ 0 0 123 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.675 96.9 71.5 -77.7 -17.8 -40.9 55.1 139.1 130 132 A E T 3< S+ 0 0 37 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.515 101.3 49.7 -73.3 -2.3 -43.6 56.8 137.1 131 133 A R T < S- 0 0 88 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.045 126.1-102.3-120.5 20.1 -45.4 56.7 140.5 132 134 A D S < S+ 0 0 151 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.982 71.0 149.4 55.2 65.4 -42.5 58.2 142.5 133 135 A V - 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0 0 0 -4,-3.4 41,-1.7 39,-0.1 2,-0.3 -0.457 60.7-178.0 -73.8 75.2 -28.6 32.9 140.3 145 147 A R B +h 185 0B 60 -2,-2.1 11,-2.6 11,-0.3 2,-0.2 -0.582 6.8 169.0 -77.3 134.5 -25.6 30.6 139.7 146 148 A T B -J 155 0C 3 39,-1.7 41,-0.3 -2,-0.3 7,-0.1 -0.794 35.7 -93.7-135.0 176.7 -26.4 27.3 138.0 147 149 A N - 0 0 52 7,-1.6 -1,-0.2 -2,-0.2 6,-0.1 -0.009 48.5 -95.3 -75.6-165.7 -24.6 24.4 136.3 148 150 A D S S+ 0 0 104 38,-0.1 2,-1.7 5,-0.1 5,-0.1 0.178 81.7 122.8-101.4 15.4 -24.0 24.3 132.6 149 151 A R > - 0 0 87 5,-0.1 3,-1.2 3,-0.1 44,-0.2 -0.602 54.8-153.3 -78.7 86.6 -27.0 22.2 131.7 150 152 A F T 3 S+ 0 0 25 -2,-1.7 -43,-0.1 1,-0.2 208,-0.1 -0.309 71.6 31.2 -66.6 142.8 -28.6 24.7 129.2 151 153 A G T 3 S+ 0 0 0 42,-0.2 206,-2.5 -45,-0.2 45,-0.3 -0.036 137.0 23.6 102.5 -30.9 -32.4 24.6 128.7 152 154 A R S < S- 0 0 66 -3,-1.2 42,-0.3 204,-0.2 -2,-0.1 -0.279 83.7-174.3-163.4 61.0 -33.0 23.5 132.3 153 155 A A - 0 0 5 40,-3.0 -3,-0.1 -6,-0.1 -5,-0.1 -0.239 20.8-128.2 -61.8 149.7 -30.0 24.5 134.4 154 156 A E - 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