==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-OCT-08 3ETH . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE ATPASE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.M.HOLDEN,J.B.THODEN . 710 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 19.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 50 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 1 2 1 2 2 6 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 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 . 0 0 4 7 3 2 4 0 2 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 . 0 0 4 0 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 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 M 0 0 104 0, 0.0 25,-0.4 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 88.7 -5.5 -5.2 43.7 2 2 A K - 0 0 50 23,-0.1 24,-2.8 1,-0.1 2,-0.4 0.175 360.0-147.2 -27.9 149.1 -3.2 -2.9 41.7 3 3 A Q E -a 26 0A 45 40,-0.4 42,-2.3 22,-0.2 2,-0.4 -0.971 16.6-179.1-125.8 134.1 0.5 -3.0 42.7 4 4 A V E -ab 27 45A 0 22,-2.8 24,-2.9 -2,-0.4 2,-0.4 -0.995 12.7-155.6-137.4 143.0 2.7 0.1 42.5 5 5 A C E -ab 28 46A 0 40,-2.2 42,-2.8 -2,-0.4 2,-0.5 -0.960 9.6-153.0-114.4 135.0 6.3 0.4 43.4 6 6 A V E -ab 29 47A 0 22,-2.3 24,-3.2 -2,-0.4 2,-0.5 -0.939 12.9-135.0-113.5 122.8 7.7 3.8 44.3 7 7 A L E S+ab 30 48A 0 40,-3.2 42,-3.2 -2,-0.5 43,-0.4 -0.578 75.7 45.8 -76.7 125.6 11.4 4.4 43.7 8 8 A G S S- 0 0 6 22,-3.5 22,-0.3 -2,-0.5 23,-0.2 0.001 71.8-127.6 114.3 139.5 12.8 6.1 46.8 9 9 A N + 0 0 116 20,-0.1 22,-0.1 4,-0.1 -1,-0.1 0.047 63.7 111.0-105.6 24.5 12.4 5.4 50.5 10 10 A G S > S- 0 0 25 1,-0.1 4,-1.9 297,-0.0 5,-0.2 -0.068 84.8 -81.1 -93.9-168.1 11.3 8.7 52.0 11 11 A Q H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.835 122.7 62.4 -63.9 -28.6 8.2 10.2 53.6 12 12 A L H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 106.0 44.9 -61.2 -45.2 6.7 10.8 50.2 13 13 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 111.3 53.4 -65.3 -36.8 6.6 7.1 49.4 14 14 A R H X S+ 0 0 31 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.899 108.8 48.6 -64.4 -42.1 5.3 6.3 52.8 15 15 A M H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.815 109.2 53.4 -67.8 -30.3 2.4 8.8 52.4 16 16 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.922 109.5 48.7 -68.8 -41.5 1.7 7.3 49.0 17 17 A R H X S+ 0 0 66 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.940 110.9 50.5 -63.0 -44.2 1.5 3.8 50.6 18 18 A Q H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.916 113.6 45.5 -60.7 -44.2 -0.8 5.1 53.3 19 19 A A H X S+ 0 0 14 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.900 110.2 54.5 -67.5 -36.1 -3.1 6.6 50.7 20 20 A G H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.8 0.856 93.7 71.8 -64.7 -38.3 -3.1 3.6 48.5 21 21 A E G ><5S+ 0 0 30 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.900 97.0 42.4 -50.3 -57.8 -4.2 1.1 51.2 22 22 A P G 345S+ 0 0 19 0, 0.0 638,-2.7 0, 0.0 -1,-0.3 0.757 112.0 59.3 -66.8 -19.9 -7.9 2.0 51.7 23 23 A L G <<5S- 0 0 1 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.489 119.4-110.5 -84.2 0.1 -8.2 2.3 47.9 24 24 A G T < 5S+ 0 0 1 -3,-2.1 2,-0.6 -4,-0.4 -3,-0.2 0.762 77.7 129.1 82.6 21.7 -7.1 -1.3 47.4 25 25 A I < - 0 0 1 -5,-2.5 2,-0.5 -8,-0.1 -1,-0.2 -0.947 50.9-145.8-117.4 120.5 -3.7 -0.4 45.9 26 26 A A E -a 3 0A 20 -24,-2.8 -22,-2.8 -2,-0.6 2,-0.5 -0.721 18.0-166.0 -84.5 124.3 -0.6 -2.0 47.3 27 27 A V E -a 4 0A 6 -2,-0.5 -22,-0.2 -24,-0.2 -6,-0.1 -0.965 6.3-164.5-118.5 128.0 2.3 0.4 47.2 28 28 A W E -a 5 0A 117 -24,-2.9 -22,-2.3 -2,-0.5 2,-0.4 -0.901 8.5-152.0-115.9 106.5 5.9 -0.7 47.8 29 29 A P E -a 6 0A 39 0, 0.0 2,-0.5 0, 0.0 -22,-0.2 -0.581 17.4-168.1 -76.3 128.2 8.5 2.0 48.5 30 30 A V E -a 7 0A 13 -24,-3.2 -22,-3.5 -2,-0.4 -21,-0.1 -0.959 11.2-142.1-124.2 119.6 11.9 0.8 47.3 31 31 A G > - 0 0 6 -2,-0.5 3,-1.8 -23,-0.2 27,-0.0 -0.326 29.3-108.3 -72.4 163.9 15.2 2.4 48.1 32 32 A L T 3 S+ 0 0 50 1,-0.3 26,-0.5 26,-0.1 27,-0.4 0.735 119.7 52.2 -60.8 -29.8 18.0 2.7 45.6 33 33 A D T 3 S+ 0 0 145 25,-0.1 -1,-0.3 24,-0.1 -2,-0.1 0.234 85.2 127.2 -92.0 10.5 20.1 0.1 47.4 34 34 A A < - 0 0 28 -3,-1.8 24,-0.3 1,-0.1 3,-0.1 -0.230 69.7-109.0 -67.0 161.4 17.2 -2.4 47.4 35 35 A E >> - 0 0 115 1,-0.2 3,-1.3 22,-0.1 4,-0.5 -0.795 21.5-151.2 -91.1 120.6 17.7 -5.9 46.2 36 36 A P G >4 S+ 0 0 15 0, 0.0 3,-1.5 0, 0.0 5,-0.3 0.855 93.5 68.1 -59.4 -35.0 15.7 -6.1 42.9 37 37 A A G 34 S+ 0 0 89 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.763 101.7 47.8 -56.0 -27.7 15.1 -9.8 43.5 38 38 A A G <4 S+ 0 0 79 -3,-1.3 -1,-0.3 2,-0.0 -4,-0.0 0.592 95.2 96.7 -89.0 -16.7 12.9 -8.8 46.4 39 39 A V << - 0 0 7 -3,-1.5 2,-1.5 -4,-0.5 3,-0.5 -0.682 64.0-150.9 -84.8 122.9 11.0 -6.2 44.3 40 40 A P + 0 0 27 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.272 53.5 133.9 -83.5 50.0 7.6 -7.0 42.7 41 41 A F > + 0 0 18 -2,-1.5 3,-1.0 -5,-0.3 -36,-0.1 0.804 59.2 65.1 -73.0 -25.8 8.4 -4.6 40.0 42 42 A Q T 3 S+ 0 0 116 -3,-0.5 -1,-0.2 1,-0.2 25,-0.1 0.899 107.3 37.9 -60.4 -44.5 7.4 -7.0 37.3 43 43 A Q T 3 S+ 0 0 116 -3,-0.2 -40,-0.4 2,-0.1 2,-0.3 0.239 111.5 84.2 -92.1 11.4 3.7 -7.0 38.3 44 44 A S S < S- 0 0 7 -3,-1.0 2,-0.5 -4,-0.1 -40,-0.2 -0.788 76.3-122.8-121.1 159.4 3.6 -3.3 39.2 45 45 A V E -b 4 0A 33 -42,-2.3 -40,-2.2 -2,-0.3 2,-0.5 -0.822 42.0-138.6 -88.9 131.6 3.2 0.2 37.8 46 46 A I E +bc 5 68A 0 21,-3.1 23,-2.3 -2,-0.5 2,-0.2 -0.873 31.0 162.1-102.3 133.1 6.5 2.0 38.8 47 47 A T E -b 6 0A 2 -42,-2.8 -40,-3.2 -2,-0.5 2,-0.3 -0.697 20.4-144.4-130.0 178.3 6.6 5.6 40.1 48 48 A A E -b 7 0A 3 -42,-0.3 -40,-0.2 -2,-0.2 -42,-0.1 -0.999 22.3-157.3-149.2 154.7 9.3 7.5 42.0 49 49 A E S S+ 0 0 24 -42,-3.2 2,-0.3 -2,-0.3 -41,-0.1 0.244 86.6 60.4-110.3 9.5 9.6 10.1 44.7 50 50 A I - 0 0 43 -43,-0.4 -43,-0.1 191,-0.1 3,-0.1 -0.794 66.2-152.4-128.2 166.0 13.1 11.1 43.4 51 51 A E S S+ 0 0 27 1,-0.3 2,-0.3 -2,-0.3 27,-0.3 0.399 74.6 26.9-124.7 -3.6 14.2 12.4 40.0 52 52 A R + 0 0 94 26,-0.1 -1,-0.3 72,-0.0 71,-0.0 -0.980 62.3 166.5-156.1 154.2 17.8 11.3 39.6 53 53 A W - 0 0 72 -2,-0.3 2,-0.1 -3,-0.1 3,-0.0 -0.993 34.6-101.6-164.5 163.2 19.8 8.4 40.9 54 54 A P - 0 0 78 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.386 53.0 -87.9 -81.5 171.7 23.1 6.6 40.5 55 55 A E + 0 0 144 -2,-0.1 2,-0.3 4,-0.1 3,-0.0 -0.708 58.1 159.7 -84.8 124.9 23.2 3.2 38.7 56 56 A T > - 0 0 32 -2,-0.5 4,-3.3 1,-0.1 5,-0.3 -0.848 58.1 -97.6-135.1 171.8 22.5 0.2 41.0 57 57 A A H > S+ 0 0 47 -2,-0.3 4,-1.4 2,-0.2 5,-0.2 0.934 128.3 49.7 -60.7 -39.9 21.4 -3.4 40.6 58 58 A L H >> S+ 0 0 1 -26,-0.5 4,-2.3 -24,-0.3 3,-0.7 0.983 112.8 43.4 -64.3 -52.5 18.0 -2.1 41.4 59 59 A T H 3> S+ 0 0 5 -27,-0.4 4,-2.1 1,-0.3 -2,-0.2 0.859 109.4 57.5 -64.0 -31.4 18.0 0.9 39.0 60 60 A R H 3X S+ 0 0 128 -4,-3.3 4,-0.7 1,-0.2 -1,-0.3 0.875 108.6 46.9 -63.7 -35.2 19.5 -1.3 36.2 61 61 A Q H X< S+ 0 0 68 -4,-1.4 3,-0.7 -3,-0.7 -2,-0.2 0.917 111.5 51.1 -69.3 -45.2 16.5 -3.6 36.5 62 62 A L H >< S+ 0 0 4 -4,-2.3 3,-2.9 1,-0.2 -2,-0.2 0.871 94.7 74.3 -58.5 -38.3 14.1 -0.8 36.5 63 63 A A H 3< S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 99.2 42.9 -39.5 -52.4 15.7 0.6 33.4 64 64 A R T << S+ 0 0 181 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.116 85.4 123.2 -85.7 14.4 14.1 -2.0 31.2 65 65 A H X - 0 0 11 -3,-2.9 3,-0.7 1,-0.2 -23,-0.0 -0.679 53.5-151.0 -82.5 129.1 10.7 -1.9 32.9 66 66 A P T 3 S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.948 89.1 48.1 -62.0 -46.9 7.9 -1.1 30.5 67 67 A A T 3 + 0 0 42 -23,-0.2 -21,-3.1 -25,-0.1 2,-1.0 -0.313 62.8 131.5 -96.3 50.4 5.7 0.7 33.0 68 68 A F B X -c 46 0A 9 -3,-0.7 3,-1.9 -2,-0.6 -21,-0.2 -0.849 59.5-133.9 -96.9 96.2 7.9 3.2 34.9 69 69 A V T 3 S- 0 0 17 -23,-2.3 -21,-0.1 -2,-1.0 -2,-0.1 -0.383 78.8 -0.9 -62.5 131.9 5.6 6.1 34.5 70 70 A N T >> S+ 0 0 19 148,-0.2 3,-2.0 -2,-0.1 4,-1.6 0.557 81.0 150.0 70.4 8.4 7.3 9.3 33.4 71 71 A R T <4 S+ 0 0 63 -3,-1.9 3,-0.3 1,-0.3 -2,-0.1 0.853 72.8 43.8 -36.9 -49.8 10.6 7.6 33.3 72 72 A D T 3> S+ 0 0 129 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.599 104.3 64.2 -77.9 -14.8 11.9 10.0 30.5 73 73 A V H X> S+ 0 0 10 -3,-2.0 4,-1.9 1,-0.2 3,-0.6 0.857 87.8 70.8 -79.5 -37.1 10.5 13.1 32.0 74 74 A F H 3X S+ 0 0 1 -4,-1.6 4,-4.0 -3,-0.3 5,-0.2 0.893 93.6 51.1 -48.5 -45.3 12.7 13.0 35.1 75 75 A P H 3> S+ 0 0 79 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.874 108.4 53.2 -65.3 -31.1 16.0 13.9 33.5 76 76 A I H << S+ 0 0 63 -3,-0.6 -2,-0.2 -4,-0.5 3,-0.2 0.929 118.7 35.2 -68.2 -43.5 14.6 16.9 31.8 77 77 A I H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 162,-0.2 0.844 109.2 65.4 -79.9 -31.3 13.2 18.2 35.0 78 78 A A H < S+ 0 0 7 -4,-4.0 2,-0.7 -5,-0.3 46,-0.3 0.768 95.3 64.7 -60.1 -28.2 16.2 16.9 37.1 79 79 A D S X S- 0 0 27 -4,-1.3 4,-2.6 -5,-0.2 5,-0.3 -0.847 75.3-151.9 -99.9 116.8 18.6 19.3 35.3 80 80 A R H > S+ 0 0 34 42,-2.4 4,-3.1 -2,-0.7 5,-0.3 0.862 95.0 58.2 -54.7 -36.6 17.7 22.9 36.0 81 81 A L H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.976 110.7 40.6 -59.0 -52.3 19.2 24.0 32.7 82 82 A T H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.842 115.3 52.7 -65.6 -32.8 16.8 21.7 30.7 83 83 A Q H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.942 110.5 46.9 -68.0 -46.6 13.9 22.6 33.0 84 84 A K H X S+ 0 0 6 -4,-3.1 4,-2.2 -5,-0.3 -2,-0.2 0.938 109.6 53.7 -62.5 -41.5 14.6 26.3 32.4 85 85 A Q H X S+ 0 0 97 -4,-2.7 4,-3.2 -5,-0.3 -1,-0.2 0.878 104.0 57.8 -59.1 -34.6 14.8 25.7 28.7 86 86 A L H X S+ 0 0 13 -4,-1.7 4,-2.3 1,-0.2 6,-0.2 0.929 106.4 46.9 -61.7 -45.0 11.4 24.0 28.9 87 87 A F H <>S+ 0 0 0 -4,-1.9 5,-3.0 1,-0.2 -1,-0.2 0.941 112.8 50.7 -63.5 -41.8 9.8 27.1 30.3 88 88 A D H ><5S+ 0 0 74 -4,-2.2 3,-2.2 3,-0.2 -2,-0.2 0.971 108.8 51.2 -59.4 -49.1 11.6 29.2 27.6 89 89 A K H 3<5S+ 0 0 130 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.928 113.3 45.1 -51.3 -48.0 10.3 26.9 24.8 90 90 A L T 3<5S- 0 0 40 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.354 113.4-117.8 -83.5 9.8 6.8 27.2 26.1 91 91 A H T < 5 + 0 0 171 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.810 57.7 160.6 60.0 29.1 7.0 30.9 26.6 92 92 A L < - 0 0 19 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.675 45.1-107.9 -88.4 131.3 6.4 30.6 30.3 93 93 A P + 0 0 49 0, 0.0 143,-3.7 0, 0.0 2,-0.3 -0.217 56.4 142.7 -56.2 126.7 7.4 33.5 32.7 94 94 A T B -d 236 0B 19 141,-0.3 143,-0.1 133,-0.1 3,-0.1 -0.963 56.2 -68.4-154.6 168.2 10.5 32.6 34.7 95 95 A A - 0 0 2 141,-0.6 61,-0.0 -2,-0.3 60,-0.0 -0.409 55.8-107.3 -64.2 134.0 13.6 34.4 36.1 96 96 A P + 0 0 51 0, 0.0 58,-2.5 0, 0.0 2,-0.3 -0.252 61.1 145.4 -58.0 144.4 16.1 35.5 33.4 97 97 A W E -M 153 0C 24 56,-0.2 2,-0.3 -3,-0.1 56,-0.2 -0.928 31.2-159.7-162.6-174.0 19.1 33.1 33.7 98 98 A Q E -M 152 0C 39 54,-1.4 54,-2.9 -2,-0.3 2,-0.2 -0.949 40.9 -82.9-175.2 163.7 21.9 31.2 32.0 99 99 A L E -M 151 0C 58 -2,-0.3 2,-0.8 52,-0.2 52,-0.3 -0.518 42.7-134.3 -68.7 148.5 24.2 28.4 32.5 100 100 A L E +M 150 0C 0 50,-2.9 48,-2.6 46,-0.2 50,-0.6 -0.906 31.6 174.5-111.3 98.5 27.2 29.7 34.5 101 101 A A - 0 0 38 -2,-0.8 2,-0.3 1,-0.2 -1,-0.1 0.816 51.8 -20.8 -78.9 -35.4 30.2 28.3 32.6 102 102 A E > - 0 0 107 45,-0.1 3,-2.8 1,-0.1 -1,-0.2 -0.971 69.7 -86.9-172.4 161.4 33.3 29.7 34.2 103 103 A R G > S+ 0 0 113 1,-0.3 3,-1.7 -2,-0.3 -1,-0.1 0.781 114.4 67.8 -41.3 -45.2 34.6 32.5 36.4 104 104 A S G 3 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.706 86.5 68.6 -57.4 -21.8 35.2 34.8 33.4 105 105 A E G X> + 0 0 43 -3,-2.8 4,-2.2 1,-0.2 3,-1.0 0.654 68.1 98.7 -77.7 -8.3 31.5 35.2 32.7 106 106 A W H <> S+ 0 0 16 -3,-1.7 4,-2.3 1,-0.3 5,-0.4 0.840 77.1 55.6 -45.1 -44.6 30.6 37.2 35.8 107 107 A P H 3> S+ 0 0 84 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.900 111.0 42.5 -59.0 -42.6 30.7 40.6 34.2 108 108 A A H <> S+ 0 0 53 -3,-1.0 4,-3.4 -4,-0.3 -2,-0.2 0.842 110.0 61.1 -73.8 -33.6 28.2 39.7 31.5 109 109 A V H X S+ 0 0 0 -4,-2.2 4,-4.1 1,-0.2 5,-0.3 0.983 110.7 36.5 -58.2 -56.0 26.1 37.9 34.2 110 110 A F H X S+ 0 0 28 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.813 114.3 57.0 -67.4 -27.8 25.4 41.0 36.3 111 111 A D H < S+ 0 0 144 -4,-1.2 -1,-0.2 -5,-0.4 -2,-0.2 0.980 117.9 35.7 -65.2 -49.8 25.2 43.1 33.3 112 112 A R H < S+ 0 0 136 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.924 129.1 29.5 -66.8 -50.6 22.4 40.8 32.2 113 113 A L H < S- 0 0 8 -4,-4.1 42,-0.3 1,-0.3 3,-0.3 0.541 98.9-118.1 -93.6 -11.0 20.8 39.9 35.6 114 114 A G < - 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0 0 46 0, 0.0 3,-2.8 0, 0.0 4,-0.4 -0.042 48.8-101.1 -56.9 155.9 -26.1 -3.6 43.1 697 341 B P G > S+ 0 0 117 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.826 115.8 68.6 -51.3 -42.4 -29.8 -3.4 43.6 698 342 B E G 3 S+ 0 0 93 1,-0.3 4,-0.4 2,-0.1 3,-0.2 0.618 91.8 64.2 -58.0 -9.0 -29.9 -4.4 47.1 699 343 B Y G <> S+ 0 0 9 -3,-2.8 4,-2.0 1,-0.2 -1,-0.3 0.665 78.3 81.9 -89.2 -13.8 -28.2 -1.1 47.9 700 344 B A H <> S+ 0 0 29 -3,-2.0 4,-2.7 -4,-0.4 5,-0.3 0.905 86.4 56.0 -55.8 -42.1 -31.0 1.2 46.9 701 345 B S H > S+ 0 0 59 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.922 111.1 43.3 -55.8 -48.0 -33.0 0.9 50.0 702 346 B G H > S+ 0 0 3 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.852 112.8 50.7 -67.3 -39.1 -30.2 2.0 52.2 703 347 B V H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.933 113.5 46.6 -65.2 -44.4 -29.0 4.8 50.0 704 348 B I H X S+ 0 0 86 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.884 109.0 54.2 -65.9 -41.2 -32.6 6.1 49.9 705 349 B W H X S+ 0 0 51 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.963 110.8 47.1 -59.3 -46.2 -33.0 5.7 53.6 706 350 B A H >X S+ 0 0 0 -4,-3.0 3,-0.9 1,-0.2 4,-0.7 0.944 111.0 50.5 -59.5 -46.1 -29.8 7.9 53.9 707 351 B Q H >< S+ 0 0 26 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.929 104.3 59.6 -55.8 -41.5 -31.1 10.5 51.5 708 352 B S H >< S+ 0 0 69 -4,-2.8 3,-1.9 1,-0.3 -1,-0.3 0.816 92.1 66.5 -59.4 -28.8 -34.3 10.5 53.5 709 353 B K H << S+ 0 0 72 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.797 104.7 45.8 -63.2 -27.1 -32.3 11.6 56.6 710 354 B F T << 0 0 31 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.266 360.0 360.0 -99.6 14.9 -31.6 14.9 54.8 711 355 B G < 0 0 128 -3,-1.9 -3,-0.1 -4,-0.0 -4,-0.0 -0.360 360.0 360.0 -97.5 360.0 -35.2 15.3 53.6