==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 26-OCT-01 1K92 . COMPND 2 MOLECULE: ARGININOSUCCINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.T.LEMKE,P.L.HOWELL . 444 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 1 0 0 2 1 0 2 2 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 1 2 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 . 1 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 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 1 A T 0 0 134 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.6 26.8 -2.7 26.9 2 2 A T + 0 0 52 149,-0.1 150,-2.7 1,-0.1 2,-0.4 0.902 360.0 56.3 -83.7 -47.1 26.4 -0.2 29.8 3 3 A I E S-a 152 0A 59 148,-0.2 2,-0.4 150,-0.1 150,-0.2 -0.747 72.9-156.7 -90.9 132.5 28.6 2.6 28.4 4 4 A L E -a 153 0A 28 148,-2.7 150,-1.8 -2,-0.4 153,-0.2 -0.917 13.6-175.0-109.0 134.5 27.7 3.9 25.0 5 5 A K + 0 0 37 -2,-0.4 2,-0.4 148,-0.2 154,-0.1 0.552 68.9 61.3-103.1 -10.6 30.4 5.6 22.8 6 6 A H S S- 0 0 137 152,-0.1 -1,-0.1 153,-0.1 152,-0.0 -0.929 95.3 -98.8-121.3 143.3 28.1 6.7 20.0 7 7 A L - 0 0 19 -2,-0.4 2,-1.7 1,-0.1 -2,-0.1 -0.366 37.6-126.3 -58.6 124.2 25.1 9.0 20.1 8 8 A P > - 0 0 11 0, 0.0 3,-2.0 0, 0.0 28,-0.3 -0.540 29.8-148.2 -76.8 84.1 22.0 6.8 20.2 9 9 A V T 3 S+ 0 0 98 -2,-1.7 26,-0.3 1,-0.3 25,-0.1 -0.199 75.6 11.4 -56.2 135.5 20.1 8.2 17.2 10 10 A G T 3 S+ 0 0 57 24,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.480 106.3 111.4 76.3 1.6 16.3 8.1 17.5 11 11 A Q S < S- 0 0 99 -3,-2.0 25,-2.5 1,-0.0 2,-0.3 -0.746 74.5-103.4-110.6 159.4 16.4 7.2 21.2 12 12 A R E -b 36 0A 121 -2,-0.3 2,-0.4 109,-0.2 111,-0.4 -0.607 39.8-176.5 -77.2 130.0 15.5 9.1 24.4 13 13 A I E -b 37 0A 0 23,-2.1 25,-2.8 -2,-0.3 2,-0.3 -0.992 15.6-141.2-132.8 129.7 18.5 10.4 26.2 14 14 A G E -bc 38 125A 0 110,-3.4 112,-3.2 -2,-0.4 2,-0.4 -0.666 13.3-166.4 -91.6 144.7 18.5 12.3 29.6 15 15 A I E -b 39 0A 6 23,-2.5 25,-2.7 -2,-0.3 2,-1.4 -0.996 25.0-133.3-130.0 131.9 20.7 15.2 30.4 16 16 A A E -b 40 0A 35 110,-0.4 2,-0.9 -2,-0.4 25,-0.2 -0.766 37.7-153.4 -82.5 97.5 21.4 16.7 33.8 17 17 A F + 0 0 1 23,-1.8 42,-0.1 -2,-1.4 -1,-0.0 -0.685 30.9 168.3 -88.1 100.4 20.9 20.2 32.5 18 18 A S - 0 0 77 -2,-0.9 -1,-0.2 23,-0.1 3,-0.1 0.763 49.0-120.6 -79.9 -28.2 22.7 22.8 34.5 19 19 A G S S+ 0 0 12 1,-0.3 -2,-0.1 36,-0.1 22,-0.0 0.368 70.5 123.8 102.6 -5.1 22.1 25.6 32.0 20 20 A G S > S- 0 0 28 1,-0.1 4,-2.2 4,-0.0 -1,-0.3 -0.183 80.0 -90.0 -79.8-179.9 25.8 26.3 31.4 21 21 A L H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.914 121.3 55.5 -58.5 -46.4 27.6 26.3 28.0 22 22 A D H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 114.5 36.5 -55.7 -49.2 28.5 22.6 28.2 23 23 A T H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.819 116.6 54.2 -77.7 -26.9 25.0 21.2 28.8 24 24 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.961 113.8 40.6 -68.5 -49.8 23.4 23.8 26.4 25 25 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.901 115.8 51.1 -65.8 -40.4 25.7 23.0 23.5 26 26 A A H X S+ 0 0 14 -4,-2.0 4,-2.6 -5,-0.4 -1,-0.2 0.919 110.6 47.8 -64.5 -41.8 25.5 19.2 24.2 27 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.941 113.4 47.5 -64.9 -44.1 21.7 19.2 24.3 28 28 A L H X S+ 0 0 19 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.916 113.6 48.8 -60.6 -44.9 21.5 21.2 21.1 29 29 A W H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.901 109.3 51.8 -62.6 -44.3 24.0 18.9 19.4 30 30 A M H <>S+ 0 0 3 -4,-2.6 5,-2.4 2,-0.2 -1,-0.2 0.867 112.8 45.2 -63.1 -37.3 22.2 15.7 20.5 31 31 A R H ><5S+ 0 0 79 -4,-2.0 3,-1.7 31,-0.2 -2,-0.2 0.945 112.1 52.0 -69.5 -46.2 18.9 17.0 19.1 32 32 A Q H 3<5S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.830 108.2 52.3 -58.3 -34.6 20.6 18.2 15.9 33 33 A K T 3<5S- 0 0 86 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.383 127.3 -91.8 -87.8 5.1 22.2 14.7 15.4 34 34 A G T < 5S+ 0 0 34 -3,-1.7 -24,-2.4 1,-0.3 -3,-0.2 0.439 83.5 122.5 106.9 -3.8 18.9 12.8 15.8 35 35 A A < - 0 0 1 -5,-2.4 -1,-0.3 -26,-0.3 -23,-0.2 -0.358 59.9-126.3 -84.4 171.3 18.6 11.9 19.4 36 36 A V E -b 12 0A 30 -25,-2.5 -23,-2.1 -28,-0.3 2,-0.2 -0.812 30.6-160.6-120.8 89.0 15.6 12.9 21.6 37 37 A P E -b 13 0A 0 0, 0.0 28,-3.3 0, 0.0 29,-0.5 -0.464 9.4-164.0 -77.0 139.6 17.0 14.7 24.6 38 38 A Y E -bd 14 66A 26 -25,-2.8 -23,-2.5 26,-0.2 2,-0.4 -0.987 16.2-142.1-119.1 129.9 15.1 15.1 27.9 39 39 A A E -bd 15 67A 0 27,-2.4 29,-2.4 -2,-0.5 2,-0.4 -0.775 16.4-174.9-101.5 138.7 16.4 17.7 30.3 40 40 A Y E -bd 16 68A 2 -25,-2.7 -23,-1.8 -2,-0.4 2,-0.5 -0.992 3.9-168.9-131.1 120.7 16.5 17.4 34.1 41 41 A T E - d 0 69A 4 27,-2.7 29,-3.0 -2,-0.4 2,-0.5 -0.946 15.3-141.1-112.4 124.2 17.6 20.3 36.3 42 42 A A E - d 0 70A 13 -2,-0.5 2,-1.0 27,-0.2 29,-0.2 -0.750 5.5-143.3 -87.7 126.3 18.2 19.7 40.0 43 43 A N E + d 0 71A 17 27,-2.9 29,-2.2 -2,-0.5 30,-0.4 -0.796 33.9 161.9 -83.1 108.3 17.1 22.4 42.3 44 44 A L - 0 0 12 -2,-1.0 152,-2.4 28,-0.1 153,-0.2 0.208 58.3-109.5-112.4 11.4 19.9 22.1 44.9 45 45 A G - 0 0 18 150,-0.2 150,-0.1 1,-0.2 -2,-0.1 0.873 46.6-164.8 63.5 35.2 19.5 25.4 46.5 46 46 A Q > - 0 0 50 148,-0.2 3,-1.6 1,-0.1 -1,-0.2 -0.313 20.1-136.1 -58.0 130.5 22.8 26.6 44.9 47 47 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 149,-0.0 0.752 103.0 46.8 -58.3 -27.3 24.0 29.8 46.6 48 48 A D T 3 S+ 0 0 92 2,-0.0 2,-0.5 147,-0.0 -2,-0.1 -0.084 92.6 93.3-107.9 28.8 24.8 31.4 43.2 49 49 A E < + 0 0 64 -3,-1.6 3,-0.2 1,-0.1 0, 0.0 -0.986 36.3 165.0-125.2 123.3 21.6 30.6 41.5 50 50 A E S S+ 0 0 106 -2,-0.5 -1,-0.1 1,-0.2 2,-0.1 0.507 71.7 39.8-113.5 -7.1 18.7 33.1 41.5 51 51 A D >> + 0 0 80 1,-0.1 3,-0.9 2,-0.0 4,-0.5 -0.466 50.6 158.5-147.1 71.0 16.5 31.8 38.7 52 52 A Y T >4 S+ 0 0 24 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.834 75.2 65.1 -60.3 -34.8 16.0 28.0 38.5 53 53 A D T 3> S+ 0 0 101 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.800 94.1 59.8 -62.6 -26.7 12.8 28.3 36.6 54 54 A A H <> S+ 0 0 28 -3,-0.9 4,-1.8 1,-0.2 -1,-0.3 0.745 92.6 70.1 -71.6 -22.8 14.5 29.8 33.6 55 55 A I H S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.865 112.1 55.7 -61.3 -32.8 14.1 24.2 31.9 57 57 A R H X S+ 0 0 159 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.900 106.6 49.0 -67.2 -36.3 12.8 26.9 29.6 58 58 A R H X S+ 0 0 63 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.905 108.4 54.6 -67.4 -38.5 16.3 27.3 28.1 59 59 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.6 0.933 108.4 48.5 -61.1 -42.6 16.5 23.6 27.7 60 60 A M H ><5S+ 0 0 88 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.931 109.1 53.2 -61.9 -43.0 13.2 23.6 25.7 61 61 A E H 3<5S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.872 108.8 50.0 -61.1 -35.4 14.5 26.4 23.5 62 62 A Y H 3<5S- 0 0 13 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.482 134.7 -77.4 -83.4 -3.2 17.7 24.5 22.7 63 63 A G T <<5S+ 0 0 18 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.475 70.7 155.7 126.9 1.1 15.8 21.3 21.7 64 64 A A < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -26,-0.2 -0.357 38.8-145.8 -63.4 138.6 14.6 19.3 24.7 65 65 A E S S- 0 0 98 -28,-3.3 2,-0.3 1,-0.3 -27,-0.2 0.880 89.1 -11.5 -66.4 -42.2 11.6 17.0 24.1 66 66 A N E -d 38 0A 74 -29,-0.5 -27,-2.4 2,-0.0 2,-0.4 -0.954 69.0-154.1-152.3 156.4 10.6 17.9 27.7 67 67 A A E -d 39 0A 16 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.991 12.2-171.5-141.1 128.3 12.5 19.7 30.5 68 68 A R E -d 40 0A 67 -29,-2.4 -27,-2.7 -2,-0.4 2,-0.6 -0.918 22.2-141.4-125.1 149.2 11.8 19.3 34.2 69 69 A L E -d 41 0A 54 -2,-0.3 2,-0.6 -29,-0.2 -27,-0.2 -0.951 23.5-161.7-105.8 112.3 13.0 21.0 37.4 70 70 A I E -d 42 0A 19 -29,-3.0 -27,-2.9 -2,-0.6 2,-0.6 -0.883 13.2-137.3-100.0 117.8 13.5 18.3 40.0 71 71 A D E +d 43 0A 71 -2,-0.6 4,-0.2 -29,-0.2 -27,-0.1 -0.653 33.4 163.4 -80.2 118.4 13.5 19.6 43.6 72 72 A C > + 0 0 0 -29,-2.2 4,-2.6 -2,-0.6 5,-0.2 0.313 44.5 101.1-115.1 7.1 16.3 17.9 45.5 73 73 A R H > S+ 0 0 77 -30,-0.4 4,-2.6 1,-0.2 5,-0.3 0.899 80.3 50.1 -61.8 -44.3 16.6 20.3 48.4 74 74 A K H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 115.9 42.5 -61.5 -44.8 14.7 18.3 51.0 75 75 A Q H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 112.9 53.4 -70.6 -39.7 16.7 15.1 50.2 76 76 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.936 111.4 44.8 -60.5 -48.2 20.0 17.0 50.1 77 77 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.882 110.3 55.4 -65.8 -34.8 19.5 18.5 53.5 78 78 A A H X S+ 0 0 45 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.924 112.0 43.0 -63.6 -42.1 18.3 15.2 55.0 79 79 A E H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.870 112.2 53.9 -71.9 -34.5 21.5 13.5 53.9 80 80 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.918 109.3 48.3 -64.0 -43.4 23.6 16.5 55.0 81 81 A I H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.908 110.2 51.8 -63.4 -40.2 22.0 16.3 58.5 82 82 A A H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.911 107.7 52.9 -61.0 -41.2 22.7 12.5 58.5 83 83 A A H X>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.8 0.913 109.6 48.3 -62.0 -40.4 26.4 13.3 57.6 84 84 A I H ><5S+ 0 0 4 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.945 110.1 52.2 -62.2 -46.2 26.6 15.7 60.6 85 85 A Q H 3<5S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 117.0 39.6 -60.2 -30.6 25.0 13.1 62.9 86 86 A C H 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.435 101.7-126.9 -98.7 -2.0 27.6 10.6 61.8 87 87 A G T <<5 + 0 0 9 -3,-1.1 2,-2.3 -4,-0.8 240,-0.2 0.890 41.7 177.0 55.2 41.3 30.7 12.8 61.6 88 88 A A < + 0 0 0 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.315 33.3 114.7 -80.1 60.4 31.0 11.4 58.0 89 89 A F + 0 0 9 -2,-2.3 238,-0.1 -3,-0.1 239,-0.1 -0.995 29.9 166.1-135.8 125.9 34.0 13.6 57.1 90 90 A H + 0 0 22 -2,-0.4 2,-1.0 237,-0.2 -1,-0.1 0.564 55.3 82.5-119.8 -15.1 37.4 12.2 56.4 91 91 A N + 0 0 23 7,-0.5 7,-2.3 236,-0.1 2,-0.4 -0.818 57.2 151.5 -99.0 102.5 39.5 14.9 54.8 92 92 A T E -F 97 0B 44 -2,-1.0 2,-0.4 5,-0.2 5,-0.2 -0.968 27.9-165.0-130.7 143.5 40.8 17.0 57.7 93 93 A T E > S-F 96 0B 79 3,-2.6 3,-1.9 -2,-0.4 183,-0.1 -0.953 81.2 -19.7-136.6 111.7 43.9 19.1 57.9 94 94 A G T 3 S- 0 0 88 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.771 130.2 -52.1 63.0 29.6 45.1 20.3 61.3 95 95 A G T 3 S+ 0 0 60 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.197 109.8 126.8 94.6 -16.6 41.5 19.6 62.4 96 96 A L E < -F 93 0B 68 -3,-1.9 -3,-2.6 180,-0.1 2,-0.4 -0.609 48.9-145.2 -79.5 139.6 39.9 21.7 59.7 97 97 A T E -F 92 0B 20 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.820 22.2-147.0-122.0 140.0 37.3 19.7 57.8 98 98 A Y - 0 0 8 -7,-2.3 -7,-0.5 -2,-0.4 -8,-0.2 -0.863 23.6-145.8 -90.8 127.2 35.9 19.3 54.3 99 99 A F - 0 0 9 -2,-0.5 -1,-0.1 174,-0.2 -11,-0.1 0.204 30.3-117.6 -85.7 21.6 32.2 18.5 54.8 100 100 A N > + 0 0 0 -9,-0.1 4,-2.0 1,-0.1 5,-0.2 0.840 59.1 154.9 51.3 40.0 31.9 16.1 51.8 101 101 A T H > + 0 0 0 2,-0.2 4,-2.1 1,-0.2 97,-0.1 0.856 67.3 48.6 -70.9 -36.4 29.3 18.4 50.2 102 102 A T H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.961 110.9 51.3 -68.3 -47.7 30.0 17.4 46.6 103 103 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.885 111.7 48.3 -55.5 -39.4 29.8 13.7 47.5 104 104 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.927 110.6 51.2 -66.2 -42.6 26.4 14.3 49.3 105 105 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.902 110.1 49.3 -60.4 -41.0 25.1 16.3 46.3 106 106 A R H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.857 105.7 55.5 -69.0 -36.2 26.0 13.5 43.9 107 107 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.903 114.8 41.9 -61.3 -38.3 24.4 10.8 46.0 108 108 A V H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.945 121.4 36.9 -76.8 -48.1 21.1 12.8 45.8 109 109 A T H X>S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 5,-0.5 0.881 111.4 59.1 -75.9 -32.9 21.2 13.9 42.2 110 110 A G H <5S+ 0 0 0 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.855 118.2 32.6 -61.9 -35.0 22.7 10.7 40.8 111 111 A T H X5S+ 0 0 30 -4,-0.9 4,-2.1 -5,-0.3 -2,-0.2 0.918 121.0 47.2 -86.4 -47.5 19.7 8.8 42.2 112 112 A M H X5S+ 0 0 43 -4,-2.7 4,-2.0 1,-0.2 -3,-0.2 0.880 112.9 45.5 -66.2 -40.8 16.9 11.4 41.9 113 113 A L H X5S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.874 114.1 49.1 -72.6 -32.6 17.6 12.5 38.3 114 114 A V H ><>S+ 0 0 1 -4,-2.2 5,-2.8 1,-0.2 3,-0.7 0.931 110.2 50.2 -60.9 -46.4 14.4 9.8 33.8 118 118 A K H ><5S+ 0 0 95 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.899 104.7 57.8 -59.5 -39.9 13.1 6.3 34.4 119 119 A E H 3<5S+ 0 0 132 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.802 108.5 47.4 -59.8 -30.3 9.7 7.6 35.3 120 120 A D T <<5S- 0 0 43 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.225 122.5-104.0 -96.5 10.9 9.6 9.2 31.8 121 121 A G T < 5S+ 0 0 36 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.767 76.3 139.8 72.1 25.1 10.8 6.1 29.9 122 122 A V < + 0 0 1 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.921 19.1 167.0-105.5 115.2 14.3 7.5 29.5 123 123 A N + 0 0 67 -2,-0.6 28,-1.8 -111,-0.4 2,-0.4 0.113 54.7 73.1-117.0 18.2 16.9 4.8 30.0 124 124 A I E - 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0 0 56 -3,-0.4 -3,-0.0 -4,-0.3 4,-0.0 -0.439 48.6-152.0 -72.8 143.7 34.7 18.8 92.1 388 388 A M + 0 0 189 -2,-0.1 -1,-0.1 2,-0.0 -4,-0.1 0.429 69.2 101.4 -91.7 -0.0 37.2 18.9 95.0 389 389 A E S S- 0 0 151 2,-0.1 2,-0.1 -5,-0.0 -2,-0.0 -0.257 88.4 -9.7 -77.5 169.9 35.0 21.6 96.7 390 390 A K S S- 0 0 93 -2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.169 93.2-112.8 45.5-107.7 32.6 20.8 99.5 391 391 A G + 0 0 55 1,-0.2 -4,-0.1 -2,-0.1 -2,-0.1 -0.835 65.0 120.9 178.8-139.9 32.5 17.1 99.8 392 392 A D - 0 0 109 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.946 41.0-179.6 49.5 94.2 30.1 14.2 99.2 393 393 A S - 0 0 76 1,-0.1 -1,-0.1 -7,-0.1 -7,-0.1 -0.938 37.8-134.0-125.5 147.2 31.6 11.9 96.6 394 394 A V S S+ 0 0 150 -2,-0.3 2,-0.3 -9,-0.3 -1,-0.1 0.780 98.4 33.9 -67.0 -28.6 30.4 8.6 95.0 395 395 A F S S- 0 0 92 -3,-0.0 -1,-0.0 4,-0.0 3,-0.0 -0.930 81.3-136.7-126.4 153.4 33.9 7.1 95.5 396 396 A S > - 0 0 43 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.568 29.0-105.1-106.1 169.6 36.4 7.7 98.4 397 397 A P H > S+ 0 0 112 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.910 123.9 52.8 -58.4 -40.3 40.1 8.2 98.5 398 398 A D H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.873 104.6 56.2 -62.4 -36.6 40.4 4.6 99.8 399 399 A D H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 106.4 49.4 -61.5 -43.2 38.4 3.4 96.8 400 400 A R H X S+ 0 0 135 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.885 105.9 56.9 -65.4 -36.1 40.9 5.0 94.4 401 401 A I H X S+ 0 0 98 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.906 107.0 49.4 -60.5 -38.9 43.8 3.4 96.2 402 402 A G H X S+ 0 0 36 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.912 108.5 52.4 -65.3 -42.7 42.2 -0.0 95.6 403 403 A Q H < S+ 0 0 71 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.889 109.3 50.4 -61.1 -38.7 41.7 0.8 91.9 404 404 A L H >< S+ 0 0 85 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.912 106.1 54.8 -65.9 -41.5 45.4 1.7 91.6 405 405 A T H >< S+ 0 0 75 -4,-2.0 3,-1.7 1,-0.3 4,-0.3 0.831 96.2 66.3 -62.8 -30.8 46.6 -1.5 93.3 406 406 A M T 3< S+ 0 0 156 -4,-1.5 4,-0.3 1,-0.3 -1,-0.3 0.660 94.9 60.3 -65.9 -13.8 44.6 -3.5 90.7 407 407 A R T <> S+ 0 0 144 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.3 0.605 78.9 94.4 -85.5 -13.1 47.0 -2.2 88.1 408 408 A N H <> S+ 0 0 85 -3,-1.7 4,-2.3 -4,-0.3 5,-0.2 0.843 80.6 48.7 -52.1 -46.5 50.1 -3.7 89.8 409 409 A L H > S+ 0 0 142 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.935 114.7 44.8 -64.0 -41.9 50.3 -7.0 87.9 410 410 A D H > S+ 0 0 104 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.840 110.5 55.1 -70.5 -32.5 50.1 -5.3 84.5 411 411 A I H X S+ 0 0 87 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.922 108.2 49.5 -63.5 -44.0 52.5 -2.6 85.5 412 412 A T H X S+ 0 0 58 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.1 51.5 -58.6 -45.5 55.0 -5.4 86.4 413 413 A D H X S+ 0 0 85 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.909 109.9 48.9 -60.0 -40.8 54.4 -7.0 83.0 414 414 A T H X S+ 0 0 74 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.891 109.3 51.3 -67.7 -36.6 55.1 -3.7 81.3 415 415 A R H X S+ 0 0 111 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.947 109.4 51.0 -63.6 -44.9 58.3 -3.1 83.1 416 416 A E H X S+ 0 0 111 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.871 108.3 52.7 -60.2 -37.4 59.4 -6.6 82.2 417 417 A K H X S+ 0 0 115 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.910 105.1 54.7 -64.6 -39.7 58.6 -5.8 78.6 418 418 A L H X S+ 0 0 48 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.923 109.9 46.7 -60.5 -40.7 60.7 -2.6 78.7 419 419 A F H X S+ 0 0 89 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.917 113.3 50.2 -64.7 -42.0 63.6 -4.7 79.9 420 420 A G H X S+ 0 0 32 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.868 110.0 48.5 -63.3 -39.8 62.9 -7.2 77.1 421 421 A Y H <>S+ 0 0 108 -4,-3.1 5,-2.0 2,-0.2 6,-1.3 0.827 110.4 51.6 -71.6 -30.7 62.7 -4.5 74.4 422 422 A A H ><5S+ 0 0 30 -4,-1.8 3,-1.3 -5,-0.3 -2,-0.2 0.909 109.5 51.2 -70.6 -39.6 66.0 -3.0 75.6 423 423 A K H 3<5S+ 0 0 184 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.851 111.8 46.5 -64.3 -35.8 67.6 -6.5 75.4 424 424 A T T 3<5S- 0 0 103 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.291 119.5-108.1 -92.1 11.8 66.3 -7.0 71.9 425 425 A G T < 5S+ 0 0 42 -3,-1.3 -3,-0.2 2,-0.3 -4,-0.1 0.432 89.5 110.4 83.0 1.7 67.5 -3.5 70.8 426 426 A L S S- 0 0 86 -2,-1.4 3,-1.7 3,-0.0 -2,-0.0 -0.913 82.1 -89.2-147.1 173.5 64.4 4.8 65.6 441 441 A L T 3 S+ 0 0 141 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.759 117.7 62.3 -58.7 -31.4 65.5 7.7 63.4 442 442 A E T 3 S+ 0 0 128 1,-0.1 2,-1.2 2,-0.1 -1,-0.3 0.497 78.2 101.5 -75.8 -2.0 63.3 10.3 65.1 443 443 A N < 0 0 66 -3,-1.7 -1,-0.1 1,-0.1 -6,-0.0 -0.705 360.0 360.0 -89.4 98.8 65.2 9.8 68.3 444 444 A K 0 0 191 -2,-1.2 -1,-0.1 0, 0.0 -3,-0.1 -0.397 360.0 360.0 -88.6 360.0 67.6 12.7 68.5