==== 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 3MDU . 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 . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 8.7 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 . 2 0.4 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 1 0 2 0 2 0 1 2 1 1 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 3 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 . 4 0 2 2 0 0 0 1 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 . 0 0 0 1 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 2 A S 0 0 97 0, 0.0 21,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.2 -2.7 -27.1 -0.9 2 3 A A E -A 21 0A 16 37,-0.3 39,-2.4 19,-0.2 2,-0.3 -0.990 360.0-174.4-134.8 141.4 -6.1 -25.9 -2.1 3 4 A I E -Ab 20 41A 2 17,-2.0 17,-3.0 -2,-0.4 2,-0.4 -0.918 11.5-148.5-129.4 158.3 -7.4 -22.6 -3.6 4 5 A F E -Ab 19 42A 4 37,-2.8 39,-3.0 -2,-0.3 2,-0.5 -0.989 8.3-169.8-135.3 125.8 -10.9 -21.5 -4.5 5 6 A A E -A 18 0A 0 13,-2.6 13,-2.7 -2,-0.4 3,-0.2 -0.961 20.0-154.4-118.4 124.6 -12.0 -19.1 -7.3 6 7 A E E S+ 0 0 91 -2,-0.5 11,-1.7 37,-0.3 2,-0.4 0.871 95.1 19.4 -58.0 -35.4 -15.5 -17.7 -7.6 7 8 A R E S+A 16 0A 67 38,-0.3 40,-2.3 9,-0.2 2,-0.3 -0.996 74.7 166.3-137.7 133.1 -14.7 -17.4 -11.4 8 9 A A E -Ac 15 47A 0 7,-2.1 7,-2.3 -2,-0.4 2,-1.0 -0.998 35.8-125.0-145.5 144.5 -12.0 -19.3 -13.3 9 10 A L E +A 14 0A 5 38,-2.5 369,-0.4 -2,-0.3 5,-0.2 -0.782 38.2 179.7 -89.7 102.8 -11.3 -19.9 -17.0 10 11 A L E > -A 13 0A 7 3,-2.0 3,-1.8 -2,-1.0 369,-0.1 -0.454 45.6 -94.3 -95.8 173.0 -11.1 -23.6 -17.4 11 12 A P T 3 S+ 0 0 69 0, 0.0 3,-0.1 0, 0.0 368,-0.1 0.844 127.4 48.3 -59.7 -32.4 -10.4 -25.5 -20.7 12 13 A E T 3 S- 0 0 141 1,-0.3 2,-0.2 0, 0.0 -3,-0.0 0.499 126.4 -93.1 -84.2 -3.7 -14.1 -25.9 -21.4 13 14 A G E < S-A 10 0A 9 -3,-1.8 -3,-2.0 388,-0.0 -1,-0.3 -0.761 73.3 -7.2 123.5-170.9 -14.7 -22.2 -20.7 14 15 A W E -A 9 0A 59 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.295 61.9-179.0 -61.8 140.3 -15.7 -20.1 -17.7 15 16 A A E -A 8 0A 13 -7,-2.3 -7,-2.1 386,-0.0 2,-0.3 -0.923 16.9-130.1-138.1 163.5 -16.7 -21.8 -14.5 16 17 A R E S+A 7 0A 120 -2,-0.3 18,-3.0 -9,-0.2 19,-0.3 -0.866 75.7 6.0-119.7 149.6 -17.9 -20.8 -11.1 17 18 A N E S- 0 0 61 -11,-1.7 18,-3.0 -2,-0.3 2,-0.5 0.911 78.1-176.6 51.2 55.4 -16.9 -21.7 -7.5 18 19 A V E -A 5 0A 0 -13,-2.7 -13,-2.6 -3,-0.2 2,-0.6 -0.727 15.7-159.3 -93.5 122.5 -13.9 -23.8 -8.6 19 20 A R E -AD 4 32A 38 13,-2.6 13,-2.6 -2,-0.5 2,-0.5 -0.895 10.0-163.2-100.2 123.2 -11.9 -25.6 -6.0 20 21 A F E -AD 3 31A 0 -17,-3.0 -17,-2.0 -2,-0.6 2,-0.5 -0.918 7.9-156.8-106.4 130.9 -8.4 -26.5 -7.1 21 22 A E E -AD 2 30A 56 9,-3.0 8,-3.2 -2,-0.5 9,-1.4 -0.922 14.3-162.2-100.7 130.4 -6.2 -29.1 -5.4 22 23 A I E - D 0 28A 6 -21,-3.1 6,-0.2 -2,-0.5 361,-0.0 -0.956 14.1-126.2-119.2 128.6 -2.5 -28.6 -6.0 23 24 A S > - 0 0 41 4,-3.0 3,-2.4 -2,-0.5 361,-0.1 -0.170 30.1-104.0 -67.2 164.0 0.1 -31.3 -5.4 24 25 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.749 124.6 54.8 -59.0 -22.7 3.2 -30.7 -3.3 25 26 A D T 3 S- 0 0 142 2,-0.1 -1,-0.3 399,-0.0 -2,-0.1 0.296 124.0-102.9 -96.9 8.9 5.1 -30.5 -6.6 26 27 A G S < S+ 0 0 2 -3,-2.4 358,-3.0 1,-0.3 2,-0.4 0.709 75.3 137.4 82.1 23.0 2.9 -27.7 -8.0 27 28 A V B -H 383 0B 53 356,-0.2 -4,-3.0 396,-0.1 2,-0.4 -0.819 63.0-108.2-102.7 138.4 0.8 -29.9 -10.3 28 29 A L E +D 22 0A 1 354,-3.0 353,-2.8 -2,-0.4 -6,-0.2 -0.523 42.3 172.1 -64.0 120.4 -3.0 -29.4 -10.7 29 30 A A E + 0 0 57 -8,-3.2 2,-0.3 -2,-0.4 -7,-0.2 0.763 61.2 6.7-104.6 -34.8 -4.4 -32.5 -9.0 30 31 A E E -D 21 0A 80 -9,-1.4 -9,-3.0 349,-0.0 2,-0.4 -0.976 54.6-169.5-152.6 139.8 -8.2 -31.9 -8.9 31 32 A I E +D 20 0A 32 -2,-0.3 -11,-0.2 -11,-0.2 349,-0.1 -0.966 11.9 178.5-136.1 114.4 -10.4 -29.2 -10.3 32 33 A R E -D 19 0A 107 -13,-2.6 -13,-2.6 -2,-0.4 3,-0.4 -0.918 11.4-157.8-127.0 104.7 -14.0 -29.1 -9.1 33 34 A P S S+ 0 0 49 0, 0.0 -16,-0.2 0, 0.0 -15,-0.2 -0.311 78.2 28.1 -70.5 162.7 -16.4 -26.4 -10.3 34 35 A D S S+ 0 0 132 -18,-3.0 -17,-0.2 1,-0.2 -16,-0.2 0.883 97.0 139.7 53.2 43.9 -19.5 -25.6 -8.3 35 36 A A - 0 0 9 -18,-3.0 2,-0.3 -3,-0.4 -1,-0.2 -0.480 56.5-100.6-108.8 176.6 -17.7 -26.6 -5.1 36 37 A N - 0 0 115 -2,-0.2 -1,-0.0 -3,-0.1 4,-0.0 -0.760 20.7-135.8 -98.7 152.1 -17.4 -25.4 -1.6 37 38 A A > + 0 0 18 -2,-0.3 3,-1.9 2,-0.1 2,-0.4 0.106 45.7 156.1 -94.0 21.4 -14.3 -23.4 -0.5 38 39 A D T 3 S- 0 0 119 1,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.305 76.3 -11.8 -60.8 109.8 -13.9 -25.3 2.8 39 40 A G T 3 S+ 0 0 85 -2,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.400 109.8 117.2 84.6 -3.8 -10.3 -25.1 3.9 40 41 A A S < S- 0 0 15 -3,-1.9 2,-0.5 -39,-0.1 -1,-0.3 -0.699 75.5-103.2 -97.8 150.5 -9.2 -23.6 0.6 41 42 A E E -b 3 0A 76 -39,-2.4 -37,-2.8 -2,-0.3 2,-0.5 -0.586 35.9-133.3 -70.6 117.6 -7.6 -20.1 0.1 42 43 A R E -b 4 0A 139 -2,-0.5 -37,-0.2 -39,-0.2 2,-0.1 -0.636 21.9-134.3 -76.4 123.1 -10.3 -17.9 -1.4 43 44 A L - 0 0 13 -39,-3.0 -37,-0.3 -2,-0.5 4,-0.1 -0.422 6.9-128.1 -83.5 154.2 -8.9 -15.9 -4.3 44 45 A G S S- 0 0 51 -2,-0.1 347,-1.7 -39,-0.1 2,-0.3 0.278 75.6 -16.5 -89.5 9.3 -9.5 -12.2 -4.7 45 46 A G S S- 0 0 15 345,-0.2 -38,-0.3 346,-0.2 345,-0.2 -0.983 97.6 -22.8 178.1-167.2 -10.7 -12.2 -8.3 46 47 A A - 0 0 7 -2,-0.3 343,-2.8 342,-0.1 2,-0.4 -0.351 57.1-139.2 -66.6 136.9 -11.0 -14.0 -11.7 47 48 A V E +cE 8 388A 0 -40,-2.3 -38,-2.5 341,-0.2 341,-0.2 -0.834 23.9 174.3-103.5 132.5 -8.5 -16.7 -12.3 48 49 A L E - E 0 387A 0 339,-2.2 339,-2.6 -2,-0.4 329,-0.1 -0.936 40.4 -95.9-127.1 153.4 -6.8 -17.3 -15.7 49 50 A P E - E 0 386A 5 0, 0.0 337,-0.3 0, 0.0 335,-0.1 -0.429 55.2-100.5 -58.4 144.2 -4.0 -19.6 -16.8 50 51 A G - 0 0 2 335,-1.8 326,-0.3 371,-0.1 62,-0.2 -0.334 37.1-112.9 -66.3 151.7 -0.7 -17.8 -16.7 51 52 A M E -i 112 0C 0 60,-2.2 62,-1.2 -3,-0.1 63,-0.8 -0.748 22.3-135.6 -92.2 122.7 0.6 -16.5 -20.0 52 53 A P E -i 114 0C 0 0, 0.0 2,-0.7 0, 0.0 264,-0.5 -0.498 8.5-144.3 -71.3 142.3 3.7 -18.0 -21.5 53 54 A N E -i 115 0C 0 61,-2.9 63,-2.5 -2,-0.2 264,-0.3 -0.926 15.4-168.7-104.9 104.0 6.2 -15.5 -22.9 54 55 A L E + 0 0 0 262,-2.5 2,-0.3 -2,-0.7 263,-0.2 0.370 63.2 36.9 -87.5 9.9 7.7 -17.3 -25.9 55 56 A H E + 0 0 0 261,-0.3 264,-3.1 234,-0.1 263,-0.5 -0.827 61.7 153.8-163.4 122.0 10.6 -15.1 -26.7 56 57 A S E -ij 117 319C 0 60,-1.1 62,-2.4 -2,-0.3 2,-0.4 -1.000 28.7-168.2-147.0 139.9 13.1 -13.1 -24.6 57 58 A H > - 0 0 6 262,-2.1 3,-1.8 -2,-0.3 4,-0.4 -0.865 25.2-162.4-122.0 97.3 16.6 -11.7 -24.7 58 59 A A G > S+ 0 0 1 -2,-0.4 3,-2.1 1,-0.3 4,-0.3 0.825 78.6 59.4 -52.7 -48.0 16.9 -10.8 -21.1 59 60 A F G > S+ 0 0 12 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.760 90.1 73.4 -56.9 -25.8 19.9 -8.4 -21.2 60 61 A Q G X> S+ 0 0 5 -3,-1.8 3,-1.3 1,-0.3 4,-0.7 0.755 78.5 74.7 -64.8 -20.6 18.0 -6.1 -23.6 61 62 A R G X4 S+ 0 0 60 -3,-2.1 3,-1.0 -4,-0.4 -1,-0.3 0.866 86.9 63.9 -58.4 -32.4 15.8 -4.9 -20.7 62 63 A A G <4 S+ 0 0 11 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.807 109.8 37.0 -62.4 -28.7 18.8 -2.9 -19.5 63 64 A M G X> S+ 0 0 12 -3,-1.3 3,-2.4 -4,-0.4 4,-0.5 0.408 84.5 140.7-100.6 1.4 18.8 -0.8 -22.7 64 65 A A T << S+ 0 0 30 -3,-1.0 257,-0.1 -4,-0.7 -3,-0.1 -0.196 77.6 3.0 -54.5 123.1 15.0 -0.6 -23.1 65 66 A G T >4 S+ 0 0 42 1,-0.0 3,-1.0 0, 0.0 -1,-0.3 0.169 105.3 98.6 89.6 -17.0 13.8 2.8 -24.2 66 67 A L T <4 S+ 0 0 126 -3,-2.4 -2,-0.2 1,-0.2 -1,-0.0 0.696 71.0 65.2 -80.9 -15.3 17.4 4.2 -24.5 67 68 A A T 3< + 0 0 23 -4,-0.5 2,-1.3 1,-0.2 -1,-0.2 0.260 69.5 104.8 -88.3 14.9 17.5 3.6 -28.3 68 69 A E < + 0 0 104 -3,-1.0 2,-0.4 2,-0.1 -1,-0.2 -0.413 51.3 110.7 -95.4 60.9 14.8 6.2 -29.0 69 70 A V - 0 0 106 -2,-1.3 2,-0.3 3,-0.0 -3,-0.0 -0.982 69.8-125.4-137.2 119.2 17.2 8.8 -30.3 70 71 A A + 0 0 92 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.0 -0.506 37.6 161.6 -68.1 122.8 17.3 9.8 -33.9 71 72 A G S S+ 0 0 67 1,-0.3 -1,-0.2 -2,-0.3 3,-0.0 0.199 70.3 19.9-121.3 10.7 20.9 9.5 -35.2 72 73 A N S > S- 0 0 83 1,-0.0 3,-1.2 3,-0.0 -1,-0.3 -0.930 79.2-111.8-174.6 145.9 19.9 9.5 -38.8 73 74 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.750 120.8 36.6 -60.8 -21.9 17.0 10.6 -41.0 74 75 A N T 3 S+ 0 0 131 2,-0.0 -4,-0.0 -3,-0.0 0, 0.0 -0.358 79.3 173.2-129.1 54.4 16.4 6.8 -41.6 75 76 A D < + 0 0 68 -3,-1.2 2,-0.3 4,-0.1 -5,-0.1 -0.254 15.9 166.9 -54.0 149.0 17.2 5.1 -38.4 76 77 A S >> - 0 0 48 1,-0.0 4,-2.2 223,-0.0 3,-1.0 -0.924 53.3 -73.5-155.3 177.1 16.3 1.4 -38.6 77 78 A F H 3> S+ 0 0 14 220,-0.5 4,-1.9 -2,-0.3 221,-0.1 0.809 125.1 58.0 -44.2 -35.9 16.6 -2.0 -37.0 78 79 A W H 3> S+ 0 0 50 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.804 106.1 44.3 -78.6 -29.4 20.2 -2.1 -38.2 79 80 A T H <> S+ 0 0 62 -3,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.807 112.6 54.7 -78.4 -32.5 21.4 1.0 -36.5 80 81 A W H X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 3,-0.4 0.906 101.8 58.7 -59.8 -41.5 19.6 -0.2 -33.4 81 82 A R H X S+ 0 0 36 -4,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.850 100.5 55.3 -61.6 -36.2 21.5 -3.4 -33.6 82 83 A E H X S+ 0 0 92 -4,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.879 107.2 49.8 -62.8 -39.1 24.8 -1.6 -33.4 83 84 A L H X S+ 0 0 55 -4,-1.2 4,-1.5 -3,-0.4 -2,-0.2 0.890 110.2 50.5 -66.4 -39.9 23.7 0.0 -30.1 84 85 A M H X S+ 0 0 10 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.916 107.9 53.2 -63.0 -43.3 22.7 -3.4 -28.8 85 86 A Y H X S+ 0 0 15 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.891 104.6 56.3 -58.6 -40.3 26.1 -4.8 -29.7 86 87 A R H < S+ 0 0 152 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.890 110.6 43.5 -61.3 -38.6 27.7 -2.0 -27.8 87 88 A M H >X S+ 0 0 19 -4,-1.5 3,-1.5 1,-0.2 4,-0.5 0.929 110.7 52.6 -73.2 -42.2 25.9 -2.9 -24.6 88 89 A V H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.845 100.7 64.9 -65.5 -26.6 26.4 -6.6 -24.9 89 90 A A T 3< S+ 0 0 36 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.743 107.8 40.2 -65.0 -22.5 30.1 -6.0 -25.3 90 91 A R T <4 S+ 0 0 141 -3,-1.5 2,-0.5 -4,-0.4 -1,-0.2 0.397 84.9 117.7-108.8 4.3 30.4 -4.6 -21.8 91 92 A L << - 0 0 0 -3,-1.0 -32,-0.0 -4,-0.5 -3,-0.0 -0.605 48.2-154.4 -83.5 119.8 28.1 -7.0 -19.8 92 93 A S > - 0 0 30 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.392 31.3-107.1 -80.3 164.5 29.7 -9.1 -17.1 93 94 A P H > S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.907 122.1 50.7 -56.6 -42.0 28.3 -12.4 -15.9 94 95 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 110.5 48.1 -65.0 -42.3 27.1 -10.8 -12.7 95 96 A Q H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 109.9 52.4 -64.0 -43.5 25.4 -7.9 -14.6 96 97 A I H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.925 111.1 47.5 -58.4 -44.0 23.7 -10.4 -16.9 97 98 A E H X S+ 0 0 31 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.902 111.2 50.0 -66.8 -41.6 22.3 -12.3 -14.0 98 99 A V H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.923 111.5 48.9 -62.3 -44.5 21.1 -9.2 -12.2 99 100 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.932 111.5 49.4 -62.4 -44.6 19.3 -8.0 -15.3 100 101 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.916 110.5 49.7 -61.0 -45.3 17.6 -11.4 -15.9 101 102 A C H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.945 113.7 45.2 -61.6 -47.5 16.4 -11.7 -12.3 102 103 A Q H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.933 113.7 50.4 -59.6 -47.0 14.9 -8.2 -12.3 103 104 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.916 109.4 50.2 -57.8 -46.1 13.3 -8.8 -15.7 104 105 A Y H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.872 108.3 52.8 -66.2 -35.9 11.8 -12.1 -14.7 105 106 A I H X S+ 0 0 3 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.939 111.1 47.3 -60.6 -45.9 10.3 -10.5 -11.6 106 107 A E H X S+ 0 0 43 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.889 109.5 54.1 -63.5 -39.0 8.7 -7.8 -13.8 107 108 A M H >X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-0.7 0.934 107.5 50.2 -57.9 -47.7 7.4 -10.4 -16.2 108 109 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.908 106.0 55.5 -59.1 -42.6 5.7 -12.2 -13.3 109 110 A K H 3<5S+ 0 0 42 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.771 106.8 51.8 -63.1 -25.6 4.0 -9.0 -12.1 110 111 A A H <<5S- 0 0 2 -4,-1.1 216,-0.6 -3,-0.7 -1,-0.3 0.559 126.7 -97.9 -85.0 -11.0 2.6 -8.6 -15.7 111 112 A G T <<5S+ 0 0 0 -3,-1.5 -60,-2.2 -4,-0.6 2,-0.7 0.490 78.9 136.0 103.2 5.0 1.1 -12.1 -15.7 112 113 A Y E < +i 51 0C 0 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.789 25.5 177.7 -82.9 118.6 3.8 -13.9 -17.7 113 114 A T E + 0 0 0 -62,-1.2 37,-2.4 -2,-0.7 2,-0.3 0.554 62.5 23.6-102.5 -9.1 4.3 -17.2 -15.8 114 115 A A E -ik 52 150C 0 -63,-0.8 -61,-2.9 35,-0.2 2,-0.4 -0.981 66.8-157.4-154.2 149.0 7.0 -18.9 -18.0 115 116 A V E -ik 53 151C 0 35,-2.0 37,-2.7 -2,-0.3 2,-0.7 -0.993 16.7-143.0-137.0 140.8 9.5 -17.6 -20.4 116 117 A A E - 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