==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-10 3MDW . COMPND 2 MOLECULE: N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.MARTI-ARBONA,F.M.RAUSHEL,S.C.ALMO . 1796 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1361 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 182 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 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 . 141 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 579 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.1 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 3 1 6 2 8 0 8 4 4 4 4 0 4 4 8 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 8 7 9 4 4 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 . 19 3 8 8 0 0 4 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 . 3 0 0 4 4 0 4 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 A 0 0 50 0, 0.0 39,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.2 41.1 10.0 65.6 2 4 A I E -Ab 19 40A 4 17,-2.3 17,-3.4 37,-0.3 2,-0.4 -0.936 360.0-148.3-132.5 158.3 43.8 8.7 63.3 3 5 A F E -Ab 18 41A 7 37,-3.5 39,-3.4 -2,-0.3 2,-0.5 -0.986 9.1-171.3-135.5 126.1 47.2 9.9 62.5 4 6 A A E -A 17 0A 0 13,-2.6 13,-2.6 -2,-0.4 3,-0.1 -0.969 21.9-153.4-122.1 129.3 49.2 9.6 59.2 5 7 A E E S+ 0 0 109 -2,-0.5 11,-1.6 37,-0.3 2,-0.4 0.847 95.0 19.1 -60.2 -37.4 52.9 10.4 58.7 6 8 A R E S+A 15 0A 63 38,-0.4 40,-2.2 9,-0.2 2,-0.3 -0.999 73.2 167.2-136.8 134.7 51.9 11.0 55.0 7 9 A A E -Ac 14 46A 0 7,-2.1 7,-2.8 -2,-0.4 2,-1.0 -0.998 35.2-126.3-146.5 144.0 48.5 11.7 53.5 8 10 A L E -A 13 0A 5 38,-2.8 369,-0.4 -2,-0.3 5,-0.2 -0.798 38.3-179.5 -91.5 103.7 47.3 12.9 50.1 9 11 A L E > -A 12 0A 10 3,-2.1 3,-2.1 -2,-1.0 369,-0.1 -0.481 44.8 -93.9 -97.7 169.9 45.0 15.8 51.0 10 12 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 368,-0.1 0.842 127.2 47.0 -55.2 -36.3 43.0 18.0 48.5 11 13 A E T 3 S- 0 0 159 1,-0.3 2,-0.2 0, 0.0 -3,-0.0 0.474 127.7 -87.4 -84.2 -2.0 45.8 20.6 48.3 12 14 A G E < S-A 9 0A 11 -3,-2.1 -3,-2.1 388,-0.0 -1,-0.3 -0.769 74.0 -13.2 126.0-173.1 48.5 17.9 47.9 13 15 A W E -A 8 0A 58 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.370 61.7-174.4 -68.1 139.5 50.6 15.6 50.0 14 16 A A E -A 7 0A 20 -7,-2.8 -7,-2.1 -2,-0.1 2,-0.3 -0.888 15.3-129.6-132.0 162.6 50.9 16.5 53.7 15 17 A R E S+A 6 0A 119 -2,-0.3 18,-3.3 -9,-0.2 19,-0.2 -0.848 76.7 2.8-115.6 150.0 52.9 15.3 56.8 16 18 A N E S- 0 0 58 -11,-1.6 18,-3.5 -2,-0.3 2,-0.5 0.898 78.6-178.0 46.9 57.4 51.8 14.2 60.3 17 19 A V E -A 4 0A 0 -13,-2.6 -13,-2.6 15,-0.2 2,-0.5 -0.769 15.7-157.9 -94.3 122.3 48.1 14.7 59.6 18 20 A R E -AD 3 31A 27 13,-3.2 13,-2.6 -2,-0.5 2,-0.5 -0.893 9.6-161.2-102.4 125.4 45.7 14.1 62.5 19 21 A F E -AD 2 30A 0 -17,-3.4 -17,-2.3 -2,-0.5 2,-0.5 -0.914 6.9-158.9-109.7 129.4 42.2 13.2 61.4 20 22 A E E - D 0 29A 60 9,-3.1 8,-3.1 -2,-0.5 9,-1.7 -0.934 13.4-164.2-103.1 130.2 39.1 13.5 63.7 21 23 A I E - D 0 27A 37 -2,-0.5 6,-0.2 6,-0.2 361,-0.0 -0.959 12.0-132.1-121.0 126.9 36.2 11.4 62.5 22 24 A S > - 0 0 37 4,-2.8 3,-2.2 -2,-0.5 361,-0.1 -0.172 30.7-102.1 -73.0 166.6 32.6 11.9 63.8 23 25 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.775 122.9 58.6 -58.2 -27.0 30.3 9.1 65.0 24 26 A D T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.369 122.6-105.0 -86.6 5.9 28.5 9.3 61.6 25 27 A G S < S+ 0 0 2 -3,-2.2 358,-3.2 1,-0.3 2,-0.3 0.676 75.5 135.9 84.8 18.4 31.7 8.5 59.7 26 28 A V B -H 382 0B 39 356,-0.2 -4,-2.8 396,-0.1 2,-0.5 -0.767 64.2-107.4-103.2 142.6 32.4 12.1 58.5 27 29 A L E +D 21 0A 1 354,-2.8 353,-2.5 -2,-0.3 -6,-0.2 -0.561 41.9 171.6 -67.5 119.7 35.7 13.9 58.5 28 30 A A E + 0 0 54 -8,-3.1 2,-0.3 -2,-0.5 -7,-0.2 0.776 62.1 11.6-102.5 -33.4 35.3 16.5 61.3 29 31 A E E -D 20 0A 75 -9,-1.7 -9,-3.1 349,-0.1 2,-0.4 -0.990 54.6-172.3-152.0 134.4 38.8 17.8 61.6 30 32 A I E +D 19 0A 37 -2,-0.3 -11,-0.2 -11,-0.2 349,-0.1 -0.960 11.3 175.0-132.6 114.2 42.0 17.5 59.6 31 33 A R E -D 18 0A 102 -13,-2.6 -13,-3.2 -2,-0.4 3,-0.4 -0.944 12.7-158.6-126.1 109.2 45.3 19.0 61.0 32 34 A P S S+ 0 0 59 0, 0.0 -15,-0.2 0, 0.0 -16,-0.2 -0.370 78.2 27.7 -74.6 161.7 48.6 18.5 59.2 33 35 A D S S+ 0 0 130 -18,-3.3 -17,-0.2 1,-0.2 -16,-0.2 0.876 97.4 138.8 54.1 41.9 52.0 18.9 61.1 34 36 A A - 0 0 9 -18,-3.5 2,-0.3 -3,-0.4 -1,-0.2 -0.473 57.3-100.3-110.6 176.2 50.1 17.7 64.2 35 37 A N - 0 0 116 -2,-0.2 4,-0.1 1,-0.1 -1,-0.0 -0.790 23.9-127.4-100.3 148.3 50.9 15.4 67.1 36 38 A A > + 0 0 6 -2,-0.3 3,-2.8 2,-0.1 -1,-0.1 0.861 38.2 179.5 -62.4 -35.5 49.5 11.9 67.3 37 39 A D T 3 S- 0 0 110 1,-0.3 3,-0.1 -3,-0.0 -1,-0.1 0.813 74.1 -40.8 37.2 59.7 48.1 12.7 70.7 38 40 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -35,-0.0 3,-0.1 0.135 105.8 133.5 83.7 -23.5 46.5 9.3 71.4 39 41 A A S < S- 0 0 12 -3,-2.8 2,-0.5 1,-0.1 -37,-0.3 -0.130 71.7 -86.3 -59.6 159.5 45.1 9.0 67.8 40 42 A E E -b 2 0A 78 -39,-2.6 -37,-3.5 -3,-0.1 2,-0.7 -0.552 42.1-136.7 -69.8 117.3 45.6 5.7 65.9 41 43 A R E -b 3 0A 172 -2,-0.5 -37,-0.2 -39,-0.2 -1,-0.1 -0.689 20.8-137.9 -80.9 112.8 49.0 5.8 64.2 42 44 A L - 0 0 18 -39,-3.4 -37,-0.3 -2,-0.7 4,-0.1 -0.332 6.0-130.0 -75.8 153.7 48.6 4.5 60.6 43 45 A G S S- 0 0 52 -39,-0.1 347,-1.2 2,-0.1 2,-0.3 0.353 74.4 -12.0 -89.8 6.5 51.1 2.1 59.1 44 46 A G S S- 0 0 15 345,-0.2 -38,-0.4 346,-0.1 -39,-0.2 -0.962 97.5 -26.2-175.9-167.7 51.7 3.9 55.8 45 47 A A - 0 0 8 -2,-0.3 343,-3.0 342,-0.1 2,-0.5 -0.375 56.8-138.9 -66.2 138.4 50.7 6.5 53.2 46 48 A V E +cE 7 387A 0 -40,-2.2 -38,-2.8 341,-0.2 341,-0.2 -0.877 24.4 173.2-107.1 126.9 47.1 7.5 53.3 47 49 A L E - E 0 386A 0 339,-2.1 339,-2.6 -2,-0.5 -38,-0.1 -0.913 41.1 -96.2-122.3 153.0 45.0 8.1 50.1 48 50 A P E - E 0 385A 5 0, 0.0 337,-0.3 0, 0.0 2,-0.1 -0.414 54.8-101.5 -55.8 144.2 41.3 8.8 49.6 49 51 A G - 0 0 2 335,-1.6 326,-0.3 371,-0.1 62,-0.2 -0.405 37.0-111.3 -70.2 151.0 39.6 5.5 48.7 50 52 A M E -i 111 0C 0 60,-2.1 62,-1.4 -2,-0.1 63,-0.8 -0.719 23.0-135.0 -88.7 123.6 38.8 4.9 45.0 51 53 A P E -i 113 0C 0 0, 0.0 2,-0.7 0, 0.0 264,-0.4 -0.560 9.5-142.7 -72.2 141.7 35.2 4.9 43.9 52 54 A N E -i 114 0C 0 61,-3.2 63,-2.5 -2,-0.2 264,-0.3 -0.917 16.8-170.3-102.8 103.6 34.3 2.0 41.5 53 55 A L E + 0 0 0 262,-2.4 2,-0.3 -2,-0.7 263,-0.2 0.382 63.0 37.7 -88.4 9.5 31.8 3.7 39.2 54 56 A H E + 0 0 0 261,-0.3 264,-2.9 234,-0.1 263,-0.6 -0.816 61.9 153.5-162.6 119.3 30.6 0.6 37.3 55 57 A S E -ij 116 318C 0 60,-1.2 62,-2.4 -2,-0.3 2,-0.4 -0.999 28.9-168.5-147.1 139.7 29.7 -2.9 38.3 56 58 A H > - 0 0 7 262,-2.0 3,-1.7 -2,-0.3 4,-0.4 -0.848 25.2-163.1-119.3 94.5 27.6 -6.0 37.4 57 59 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 4,-0.4 0.830 78.3 58.3 -53.5 -47.9 28.1 -8.1 40.5 58 60 A F G > S+ 0 0 12 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.779 91.7 72.9 -55.7 -27.4 26.9 -11.5 39.3 59 61 A Q G X> S+ 0 0 3 -3,-1.7 3,-1.4 1,-0.3 4,-0.6 0.757 79.0 73.7 -62.7 -22.9 29.5 -11.5 36.5 60 62 A R G X4 S+ 0 0 1 -3,-2.1 3,-1.1 -4,-0.4 -1,-0.3 0.859 86.7 65.7 -56.8 -32.5 32.3 -12.1 38.9 61 63 A A G <4 S+ 0 0 5 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.778 108.6 36.7 -61.1 -28.5 31.1 -15.6 39.2 62 64 A M G X> S+ 0 0 11 -3,-1.4 3,-2.5 -4,-0.4 4,-0.5 0.383 84.5 141.1-103.5 2.8 32.0 -16.3 35.5 63 65 A A T << S+ 0 0 3 -3,-1.1 797,-0.2 -4,-0.6 796,-0.1 -0.233 78.6 3.7 -55.7 120.9 35.2 -14.2 35.5 64 66 A G T >4 S+ 0 0 1 795,-0.2 3,-0.9 794,-0.1 -1,-0.3 0.208 106.5 98.7 90.2 -13.3 37.9 -15.9 33.5 65 67 A L T <4 S+ 0 0 67 -3,-2.5 -2,-0.2 1,-0.2 791,-0.1 0.658 71.3 64.2 -81.4 -14.2 35.6 -18.7 32.5 66 68 A A T 3< S+ 0 0 7 -4,-0.5 2,-1.1 1,-0.1 -1,-0.2 0.183 70.3 105.3 -92.0 18.2 34.8 -17.2 29.1 67 69 A E < + 0 0 1 -3,-0.9 737,-2.2 785,-0.1 738,-0.5 -0.430 49.9 109.0 -99.8 61.3 38.4 -17.5 27.9 68 70 A V B -M 803 0D 55 -2,-1.1 2,-0.3 735,-0.2 735,-0.2 -0.978 67.7-127.6-141.2 115.8 37.8 -20.5 25.5 69 71 A A + 0 0 13 733,-2.8 -2,-0.1 -2,-0.4 725,-0.1 -0.521 37.8 158.4 -71.8 125.1 37.9 -20.0 21.7 70 72 A G + 0 0 64 -2,-0.3 -1,-0.1 1,-0.3 724,-0.0 0.313 69.1 26.2-122.9 3.4 34.8 -21.4 20.0 71 73 A N S > S- 0 0 24 723,-0.1 3,-1.0 1707,-0.0 -1,-0.3 -0.963 79.0-115.7-161.2 150.2 35.0 -19.4 16.8 72 74 A P T 3 S+ 0 0 21 0, 0.0 1710,-0.1 0, 0.0 -3,-0.0 0.675 118.8 39.6 -69.3 -12.8 37.9 -17.9 14.8 73 75 A N T 3 S+ 0 0 31 1708,-0.1 5,-0.1 719,-0.0 721,-0.1 -0.340 77.4 171.1-133.0 52.8 36.2 -14.5 15.6 74 76 A D < + 0 0 12 -3,-1.0 719,-2.6 719,-0.3 2,-0.3 -0.302 18.6 166.4 -56.8 148.0 35.0 -14.7 19.1 75 77 A S > - 0 0 21 717,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.917 54.4 -73.5-155.3 173.4 33.8 -11.3 20.3 76 78 A F H > S+ 0 0 12 220,-0.6 4,-2.1 -2,-0.3 5,-0.1 0.846 127.6 55.5 -39.1 -41.0 31.9 -9.2 22.8 77 79 A W H > S+ 0 0 44 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.874 107.3 43.7 -75.7 -36.5 28.8 -10.7 21.2 78 80 A T H > S+ 0 0 39 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.856 112.8 55.4 -73.5 -32.0 29.6 -14.4 21.6 79 81 A W H X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.928 104.2 53.7 -60.6 -43.4 30.7 -13.5 25.2 80 82 A R H X S+ 0 0 46 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.868 102.5 56.6 -63.5 -37.1 27.3 -12.0 25.9 81 83 A E H X S+ 0 0 105 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.940 110.3 46.0 -55.5 -47.4 25.6 -15.2 24.8 82 84 A L H X S+ 0 0 57 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.886 111.2 51.4 -63.2 -39.7 27.6 -17.0 27.4 83 85 A M H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.931 107.9 53.6 -64.6 -40.7 26.9 -14.3 30.0 84 86 A Y H X S+ 0 0 27 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.879 106.8 50.8 -59.3 -41.6 23.1 -14.6 29.2 85 87 A R H < S+ 0 0 157 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.850 111.2 50.6 -67.5 -32.3 23.2 -18.4 29.8 86 88 A M H >< S+ 0 0 24 -4,-1.6 3,-1.7 1,-0.2 4,-0.5 0.961 109.1 47.3 -67.4 -52.9 24.9 -17.7 33.2 87 89 A V H >< S+ 0 0 2 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.766 100.0 70.9 -67.1 -20.8 22.4 -15.1 34.5 88 90 A A T 3< S+ 0 0 33 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.741 101.1 44.4 -65.8 -24.0 19.6 -17.4 33.5 89 91 A R T < S+ 0 0 136 -3,-1.7 2,-0.4 -4,-0.4 -1,-0.2 0.538 84.7 117.5 -98.5 -4.6 20.4 -19.9 36.3 90 92 A L < - 0 0 0 -3,-0.8 -32,-0.0 -4,-0.5 -3,-0.0 -0.488 47.5-155.3 -77.3 122.3 21.0 -17.4 39.2 91 93 A S > - 0 0 34 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.472 31.9-108.7 -82.5 160.3 18.8 -17.6 42.3 92 94 A P H > S+ 0 0 17 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.894 121.6 51.0 -54.3 -42.2 18.3 -14.6 44.6 93 95 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.903 110.0 48.5 -64.9 -42.3 20.4 -16.3 47.2 94 96 A Q H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 109.0 54.0 -63.3 -42.5 23.2 -17.0 44.8 95 97 A I H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.895 109.7 47.6 -58.2 -41.9 23.2 -13.4 43.6 96 98 A E H X S+ 0 0 31 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.911 111.3 50.1 -68.3 -41.3 23.6 -12.1 47.1 97 99 A V H X S+ 0 0 36 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.924 112.0 47.8 -63.1 -44.5 26.4 -14.4 48.0 98 100 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.923 112.2 49.6 -62.3 -46.0 28.3 -13.5 44.8 99 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.881 110.1 50.0 -59.9 -42.9 27.8 -9.7 45.5 100 102 A C H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.945 112.8 46.1 -63.7 -48.2 29.0 -10.0 49.1 101 103 A Q H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 113.6 50.4 -58.8 -44.2 32.2 -11.9 48.1 102 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.929 108.6 50.0 -61.3 -47.9 32.8 -9.4 45.3 103 105 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.874 108.6 54.1 -64.3 -34.6 32.4 -6.3 47.4 104 106 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.950 110.0 45.9 -60.5 -48.9 34.8 -7.8 50.0 105 107 A E H X S+ 0 0 25 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.887 110.5 55.2 -62.0 -37.7 37.4 -8.3 47.2 106 108 A M H >X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.7 0.948 106.6 50.1 -57.3 -51.0 36.7 -4.8 46.0 107 109 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.917 107.2 54.2 -54.1 -45.2 37.5 -3.4 49.5 108 110 A K H 3<5S+ 0 0 41 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 106.4 53.4 -63.2 -26.8 40.8 -5.3 49.7 109 111 A A H <<5S- 0 0 4 -4,-1.3 216,-0.7 -3,-0.7 -1,-0.3 0.587 126.9 -98.2 -83.0 -11.1 41.8 -3.7 46.3 110 112 A G T <<5S+ 0 0 0 -3,-1.6 -60,-2.1 -4,-0.7 2,-0.7 0.472 79.4 135.7 105.0 2.7 41.2 -0.2 47.6 111 113 A Y E < +i 50 0C 0 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.777 25.6 177.5 -81.5 120.1 37.7 0.4 46.1 112 114 A T E + 0 0 0 -62,-1.4 37,-2.6 -2,-0.7 2,-0.3 0.601 63.4 23.1-103.9 -13.6 35.7 2.0 48.9 113 115 A A E -ik 51 149C 0 -63,-0.8 -61,-3.2 35,-0.2 2,-0.4 -0.987 67.2-158.3-150.4 148.9 32.4 2.6 47.2 114 116 A V E -ik 52 150C 0 35,-2.1 37,-2.7 -2,-0.3 2,-0.7 -0.972 16.7-142.0-133.6 143.9 30.7 1.0 44.2 115 117 A A E - 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