==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-07 2OOF . COMPND 2 MOLECULE: 4-IMIDAZOLONE-5-PROPANOATE AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR R.TYAGI,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SG . 403 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 8.2 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 . 3 0.7 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 . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.7 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 4 3 0 1 3 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 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 PARALLEL BRIDGES PER LADDER . 3 1 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 L 0 0 83 0, 0.0 2,-1.3 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 38.3 15.1 77.0 23.0 2 4 A N + 0 0 126 2,-0.1 2,-0.3 29,-0.0 29,-0.0 0.317 360.0 94.5 4.7 34.2 17.8 77.1 25.5 3 5 A C S S- 0 0 15 -2,-1.3 30,-0.2 30,-0.0 3,-0.0 -0.967 70.9-128.8-137.9 154.5 20.3 74.8 23.6 4 6 A E S S+ 0 0 76 28,-0.3 2,-0.4 -2,-0.3 29,-0.1 0.671 86.7 47.7 -79.8 -22.9 23.2 75.7 21.2 5 7 A R E +A 32 0A 98 27,-1.3 27,-2.6 48,-0.1 2,-0.4 -0.982 63.0 176.8-126.2 136.4 22.5 73.5 18.2 6 8 A V E -A 31 0A 3 -2,-0.4 48,-1.3 46,-0.2 2,-0.6 -0.996 20.9-156.0-142.8 137.3 19.2 73.1 16.4 7 9 A W E -Ab 30 54A 4 23,-2.8 23,-3.1 -2,-0.4 3,-0.3 -0.949 22.4-155.5-108.5 119.7 17.8 71.3 13.3 8 10 A L E + b 0 55A 5 46,-3.7 48,-2.6 -2,-0.6 49,-0.4 -0.677 64.7 12.4 -96.9 151.3 14.7 72.9 11.9 9 11 A N E S+ 0 0 42 -2,-0.3 49,-3.3 1,-0.2 50,-0.4 0.928 76.8 155.3 52.2 58.4 12.1 71.2 9.8 10 12 A V E -A 28 0A 0 18,-2.5 18,-3.0 -3,-0.3 50,-0.2 -0.903 41.6-138.0-111.3 142.5 13.0 67.6 10.3 11 13 A T E -e 60 0B 39 48,-2.3 50,-2.1 -2,-0.4 2,-0.3 -0.866 31.2-147.4 -99.9 99.3 10.4 64.9 9.9 12 14 A P E -e 61 0B 0 0, 0.0 13,-2.3 0, 0.0 2,-1.0 -0.535 25.9-168.5 -78.6 127.8 11.2 62.6 12.8 13 15 A A B -I 24 0C 0 48,-2.7 11,-0.3 -2,-0.3 10,-0.2 -0.895 20.5-178.2-105.7 89.5 10.8 58.8 12.8 14 16 A T - 0 0 0 9,-2.0 350,-2.2 -2,-1.0 9,-0.2 0.765 20.5-149.4 -66.2 -27.9 11.4 58.8 16.6 15 17 A L + 0 0 0 7,-2.4 8,-0.2 348,-0.2 2,-0.1 0.870 29.9 178.6 55.7 37.9 11.1 55.0 16.9 16 18 A R > - 0 0 79 6,-0.2 3,-1.2 1,-0.1 -1,-0.2 -0.463 36.4-129.4 -70.9 142.0 9.8 55.6 20.4 17 19 A S T 3 S+ 0 0 70 1,-0.2 -1,-0.1 -2,-0.1 6,-0.1 0.805 108.3 50.0 -62.3 -29.3 8.8 52.4 22.3 18 20 A D T 3 S+ 0 0 91 2,-0.1 2,-0.4 5,-0.0 -1,-0.2 0.475 98.9 79.4 -90.2 -2.3 5.4 53.9 23.1 19 21 A L S < S- 0 0 59 -3,-1.2 0, 0.0 2,-0.1 0, 0.0 -0.846 85.1-108.6-108.0 144.3 4.6 54.9 19.5 20 22 A A S > S- 0 0 77 -2,-0.4 3,-2.4 2,-0.1 4,-0.3 -0.246 75.2 -23.8 -68.1 154.9 3.3 52.6 16.8 21 23 A D T 3 S- 0 0 119 1,-0.3 -2,-0.1 2,-0.1 324,-0.0 -0.178 134.2 -8.2 49.0-119.8 5.5 51.5 13.9 22 24 A Y T 3 S- 0 0 19 -7,-0.1 -7,-2.4 -8,-0.0 -1,-0.3 0.532 86.1-124.4 -85.8 -8.5 8.2 54.0 13.2 23 25 A G < - 0 0 5 -3,-2.4 -9,-2.0 -9,-0.2 2,-0.1 0.880 44.4-177.5 65.5 35.8 6.9 56.6 15.6 24 26 A L B -I 13 0C 69 -4,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.447 3.7-172.1 -69.8 140.3 6.8 59.2 12.8 25 27 A L - 0 0 54 -13,-2.3 3,-0.1 -2,-0.1 -1,-0.0 -0.794 29.6 -89.6-128.1 169.3 5.8 62.7 13.6 26 28 A E S S- 0 0 91 -2,-0.3 -1,-0.1 1,-0.2 -16,-0.1 -0.222 75.9 -54.6 -69.3 168.2 4.9 65.9 11.8 27 29 A P S S+ 0 0 55 0, 0.0 16,-2.1 0, 0.0 17,-0.4 -0.145 70.3 178.8 -49.0 137.5 7.9 68.3 11.1 28 30 A H E -AC 10 42A 15 -18,-3.0 -18,-2.5 14,-0.3 2,-0.5 -0.806 32.1-119.9-134.2 174.7 9.8 69.3 14.2 29 31 A A E - C 0 41A 1 12,-2.2 12,-2.4 -2,-0.3 2,-0.6 -0.985 27.7-154.1-118.3 127.8 12.7 71.3 15.4 30 32 A L E -AC 7 40A 0 -23,-3.1 -23,-2.8 -2,-0.5 2,-0.4 -0.921 11.8-172.9-111.6 115.6 15.4 69.2 17.1 31 33 A G E -AC 6 39A 0 8,-2.8 7,-2.4 -2,-0.6 8,-1.9 -0.863 3.6-162.0-109.1 140.2 17.6 70.9 19.6 32 34 A V E -AC 5 37A 0 -27,-2.6 -27,-1.3 -2,-0.4 2,-0.4 -0.899 6.8-174.4-121.1 150.4 20.6 69.4 21.3 33 35 A H E > - C 0 36A 59 3,-2.9 3,-1.4 -2,-0.3 337,-0.1 -0.959 70.0 -13.7-145.8 123.6 22.5 70.4 24.4 34 36 A E T 3 S- 0 0 152 -2,-0.4 365,-0.1 1,-0.3 3,-0.1 0.914 128.9 -48.1 52.0 51.9 25.7 68.9 25.7 35 37 A G T 3 S+ 0 0 6 1,-0.2 335,-2.9 363,-0.2 2,-0.3 0.483 120.1 100.6 72.5 4.3 25.5 65.8 23.5 36 38 A R E < S-CD 33 369A 94 -3,-1.4 -3,-2.9 333,-0.3 2,-0.7 -0.889 84.7-101.3-124.2 153.0 21.9 65.1 24.3 37 39 A I E +C 32 0A 2 331,-3.0 330,-3.1 -2,-0.3 -5,-0.3 -0.600 42.0 179.8 -68.0 113.3 18.6 65.7 22.6 38 40 A H E + 0 0 62 -7,-2.4 2,-0.3 -2,-0.7 -6,-0.2 0.743 56.8 0.5 -91.8 -26.6 17.4 68.7 24.5 39 41 A A E -C 31 0A 18 -8,-1.9 -8,-2.8 326,-0.1 2,-0.4 -0.960 44.0-162.0-165.8 146.1 14.1 69.4 22.8 40 42 A L E +C 30 0A 37 -2,-0.3 -10,-0.2 -10,-0.2 326,-0.1 -0.949 26.6 174.7-130.3 106.5 11.7 68.2 20.1 41 43 A V E -C 29 0A 31 -12,-2.4 -12,-2.2 -2,-0.4 5,-0.1 -0.957 34.0-112.9-123.4 133.2 9.2 70.9 19.1 42 44 A P E > -C 28 0A 25 0, 0.0 3,-2.3 0, 0.0 -14,-0.3 -0.341 23.1-131.9 -60.1 132.6 6.6 70.9 16.4 43 45 A X G > S+ 0 0 26 -16,-2.1 3,-1.5 1,-0.3 -15,-0.1 0.776 105.8 65.3 -56.3 -27.8 7.4 73.4 13.6 44 46 A Q G 3 S+ 0 0 135 -17,-0.4 -1,-0.3 1,-0.3 -16,-0.1 0.680 95.8 56.5 -70.2 -16.8 3.8 74.6 13.8 45 47 A D G < S+ 0 0 102 -3,-2.3 2,-0.3 2,-0.0 -1,-0.3 0.405 105.6 67.1 -92.4 2.1 4.5 75.9 17.4 46 48 A L < 0 0 44 -3,-1.5 0, 0.0 -4,-0.2 0, 0.0 -0.889 360.0 360.0-124.0 154.4 7.4 77.9 16.0 47 49 A K 0 0 228 -2,-0.3 -2,-0.0 2,-0.1 -3,-0.0 -0.886 360.0 360.0-166.1 360.0 7.6 80.9 13.7 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 52 A Y 0 0 123 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -7.5 16.0 81.9 13.3 50 53 A P - 0 0 75 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.399 360.0-124.0 -0.7 -98.3 19.0 82.3 14.8 51 54 A A S S+ 0 0 94 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.121 101.4 64.6 162.2 -25.3 21.0 81.7 11.6 52 55 A H S S+ 0 0 116 2,-0.1 2,-0.7 0, 0.0 -46,-0.2 0.287 77.7 113.0 -98.0 4.4 23.3 78.8 12.4 53 56 A W S S- 0 0 39 -48,-0.1 2,-0.3 -46,-0.1 -46,-0.2 -0.709 71.1-131.2 -80.7 114.9 20.2 76.8 12.9 54 57 A Q E -b 7 0A 90 -48,-1.3 -46,-3.7 -2,-0.7 2,-0.8 -0.523 10.3-148.4 -76.9 128.4 20.2 74.3 10.1 55 58 A D E -b 8 0A 65 -2,-0.3 -46,-0.2 -48,-0.2 -48,-0.1 -0.838 12.6-175.8 -97.7 106.0 17.0 73.9 8.0 56 59 A X > - 0 0 20 -48,-2.6 3,-1.5 -2,-0.8 -47,-0.2 0.489 35.5-134.0 -79.4 -2.8 16.7 70.3 6.9 57 60 A K T 3 - 0 0 151 -49,-0.4 -47,-0.2 1,-0.3 -48,-0.2 0.865 67.5 -46.6 52.1 45.7 13.6 71.3 4.9 58 61 A G T 3 S+ 0 0 31 -49,-3.3 -1,-0.3 -50,-0.2 -48,-0.2 0.429 92.2 155.4 82.4 -1.1 11.4 68.4 6.0 59 62 A K < - 0 0 71 -3,-1.5 -48,-2.3 -50,-0.4 -1,-0.2 -0.266 50.6 -96.5 -62.6 147.3 14.0 65.7 5.4 60 63 A L E -e 11 0B 6 317,-0.5 315,-2.6 -50,-0.2 2,-0.4 -0.351 38.4-166.1 -63.8 138.5 13.5 62.5 7.4 61 64 A V E +eF 12 374B 0 -50,-2.1 -48,-2.7 313,-0.2 313,-0.2 -0.995 10.7 171.3-130.4 135.9 15.6 62.1 10.6 62 65 A T E - F 0 373B 0 311,-2.3 311,-3.3 -2,-0.4 -48,-0.1 -0.889 41.0 -86.3-136.3 165.9 16.0 58.8 12.5 63 66 A P E - F 0 372B 1 0, 0.0 309,-0.3 0, 0.0 301,-0.1 -0.342 61.9 -85.0 -69.5 161.1 18.2 57.7 15.4 64 67 A G - 0 0 3 307,-2.0 68,-0.2 332,-0.1 2,-0.2 -0.325 50.5-105.6 -63.8 150.9 21.6 56.5 14.5 65 68 A L E -j 132 0D 0 66,-2.8 68,-3.0 -3,-0.1 69,-1.4 -0.485 32.5-159.5 -79.9 151.8 21.9 52.8 13.4 66 69 A I E -j 134 0D 3 281,-2.7 2,-0.7 66,-0.2 69,-0.2 -0.991 11.7-167.4-134.0 124.4 23.4 50.3 15.8 67 70 A D E -j 135 0D 0 67,-1.8 69,-2.2 -2,-0.4 3,-0.1 -0.893 7.2-172.4-120.1 103.3 24.8 46.9 14.9 68 71 A C E + 0 0 2 -2,-0.7 2,-0.1 243,-0.3 244,-0.1 0.066 64.8 54.1 -77.9 17.6 25.3 44.9 18.1 69 72 A H E + 0 0 0 67,-0.1 245,-1.2 242,-0.1 2,-0.3 -0.513 64.6 135.9-158.5 83.8 27.1 41.8 16.8 70 73 A T E -j 137 0D 0 66,-0.8 68,-1.6 244,-0.2 246,-0.1 -0.912 37.7-167.3-132.9 159.0 30.3 42.0 14.8 71 74 A H + 0 0 3 244,-2.9 66,-0.1 -2,-0.3 -1,-0.0 -0.428 40.2 145.2-129.4 47.6 33.8 40.4 14.5 72 75 A L + 0 0 0 244,-0.1 2,-0.6 245,-0.0 51,-0.1 0.541 48.2 83.8 -71.0 -3.9 35.0 43.1 12.2 73 76 A I + 0 0 0 65,-0.3 2,-0.3 66,-0.1 44,-0.1 -0.890 62.6 105.5-100.2 121.6 38.5 42.9 13.7 74 77 A F - 0 0 25 -2,-0.6 2,-0.2 42,-0.3 31,-0.1 -0.922 49.2-136.2 178.4 160.7 40.6 40.2 12.2 75 78 A A + 0 0 7 29,-0.4 33,-0.4 -2,-0.3 32,-0.2 -0.706 59.6 45.8-122.9 175.4 43.5 39.5 9.8 76 79 A G S S- 0 0 45 31,-0.2 2,-0.3 -2,-0.2 28,-0.1 -0.142 72.0-105.1 81.7 177.9 44.0 37.0 7.0 77 80 A S - 0 0 88 26,-0.1 4,-0.2 1,-0.1 3,-0.1 -0.991 17.7-169.7-148.0 136.5 41.7 35.9 4.3 78 81 A R > + 0 0 39 -2,-0.3 4,-2.6 239,-0.3 5,-0.2 0.249 63.7 104.7-108.0 10.5 39.6 32.8 3.8 79 82 A A H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 82.0 47.1 -56.8 -48.1 38.6 33.6 0.2 80 83 A E H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 110.7 52.0 -62.2 -40.5 41.0 31.1 -1.3 81 84 A E H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 110.1 50.1 -60.0 -45.2 39.8 28.4 1.1 82 85 A F H X S+ 0 0 84 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.896 108.4 52.2 -58.7 -43.7 36.3 29.2 -0.0 83 86 A E H X S+ 0 0 113 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.898 106.0 53.6 -61.1 -42.2 37.3 28.9 -3.6 84 87 A L H X>S+ 0 0 71 -4,-2.4 5,-2.5 1,-0.2 4,-0.6 0.913 110.3 48.5 -59.8 -40.9 38.8 25.5 -3.0 85 88 A R H ><5S+ 0 0 84 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.919 109.5 50.6 -64.4 -46.1 35.5 24.4 -1.5 86 89 A Q H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 108.1 55.4 -62.6 -28.9 33.5 25.8 -4.4 87 90 A K H 3<5S- 0 0 150 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.625 124.4-102.0 -78.3 -14.9 35.8 23.8 -6.7 88 91 A G T <<5 + 0 0 57 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.530 65.5 153.1 107.2 5.6 35.1 20.6 -4.9 89 92 A V < - 0 0 46 -5,-2.5 -1,-0.3 -6,-0.2 5,-0.1 -0.589 54.2-107.7 -71.4 124.3 38.1 20.1 -2.7 90 93 A P >> - 0 0 84 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.209 18.3-125.7 -54.2 135.2 36.9 18.0 0.2 91 94 A Y H 3> S+ 0 0 132 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.850 108.4 61.6 -51.3 -38.5 36.7 19.9 3.5 92 95 A A H 3> S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.905 105.1 46.9 -56.8 -43.0 38.9 17.3 5.2 93 96 A E H <> S+ 0 0 82 -3,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.943 111.6 50.5 -64.7 -47.3 41.8 18.2 2.9 94 97 A I H <>S+ 0 0 10 -4,-1.8 5,-2.4 1,-0.2 3,-0.4 0.901 110.4 51.9 -56.5 -42.7 41.2 21.9 3.4 95 98 A A H ><5S+ 0 0 38 -4,-2.8 3,-2.4 1,-0.2 -1,-0.2 0.932 103.5 53.8 -62.5 -49.8 41.2 21.4 7.1 96 99 A R H 3<5S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 106.5 54.6 -61.3 -21.3 44.5 19.5 7.4 97 100 A K T 3<5S- 0 0 157 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.414 134.5 -85.8 -91.6 3.6 46.3 22.3 5.5 98 101 A G T < 5S+ 0 0 28 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.490 76.5 148.1 111.3 4.9 45.0 24.9 8.0 99 102 A G < + 0 0 13 -5,-2.4 3,-0.3 -6,-0.2 -1,-0.2 -0.201 37.0 51.9 -69.2 162.7 41.6 25.9 6.8 100 103 A G S >> S- 0 0 6 1,-0.2 3,-1.5 2,-0.1 4,-0.8 -0.499 109.9 -40.8 106.7-177.4 38.8 26.9 9.2 101 104 A I H >> S+ 0 0 67 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.838 129.9 67.0 -56.5 -32.3 38.5 29.4 12.0 102 105 A I H 3> S+ 0 0 40 -3,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.872 93.8 60.3 -56.8 -34.0 42.0 28.4 13.2 103 106 A S H <> S+ 0 0 34 -3,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.891 106.5 44.6 -59.3 -43.0 43.2 30.0 10.0 104 107 A T H - 0 0 48 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.433 23.0-110.0 -81.1 160.9 50.3 43.3 15.0 113 116 A E H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.913 121.5 51.3 -55.1 -44.8 47.9 45.6 16.9 114 117 A D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 109.1 51.0 -62.0 -37.8 48.7 48.4 14.5 115 118 A Q H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 108.4 50.1 -66.4 -45.2 48.0 46.1 11.5 116 119 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -42,-0.3 0.898 110.8 51.1 -60.9 -40.0 44.6 45.0 12.8 117 120 A F H X S+ 0 0 21 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.954 111.4 46.4 -61.3 -51.4 43.7 48.7 13.4 118 121 A E H < S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 113.5 49.7 -60.0 -37.3 44.7 49.6 9.8 119 122 A L H < S+ 0 0 73 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.836 112.8 47.5 -71.2 -31.0 42.8 46.6 8.5 120 123 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 3,-0.4 0.773 92.8 77.9 -81.3 -27.9 39.7 47.5 10.5 121 124 A L H X S+ 0 0 29 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.903 95.9 44.5 -48.4 -56.6 39.5 51.2 9.6 122 125 A P H > S+ 0 0 74 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.805 111.1 55.8 -61.8 -29.4 38.0 50.7 6.1 123 126 A R H > S+ 0 0 40 -4,-0.4 4,-1.2 -3,-0.4 3,-0.4 0.945 109.8 44.4 -67.6 -47.2 35.5 48.2 7.4 124 127 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.2 0.861 106.4 61.9 -64.6 -37.0 34.2 50.6 10.0 125 128 A K H X S+ 0 0 107 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.856 100.1 54.4 -60.4 -33.0 34.1 53.4 7.4 126 129 A S H X S+ 0 0 29 -4,-1.2 4,-0.6 -3,-0.4 -1,-0.2 0.896 109.8 46.5 -66.7 -38.4 31.6 51.4 5.4 127 130 A L H >X>S+ 0 0 2 -4,-1.2 5,-2.3 -3,-0.2 3,-0.9 0.903 108.2 57.5 -69.2 -40.3 29.3 51.1 8.4 128 131 A I H ><5S+ 0 0 21 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.935 105.5 48.0 -56.3 -50.5 29.7 54.8 9.2 129 132 A R H 3<5S+ 0 0 134 -4,-2.0 262,-0.5 1,-0.3 263,-0.3 0.653 106.1 59.9 -68.6 -12.4 28.4 55.9 5.8 130 133 A E H <<5S- 0 0 20 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.588 127.2 -97.8 -86.9 -12.9 25.4 53.5 6.1 131 134 A G T <<5S+ 0 0 0 -3,-1.6 -66,-2.8 -4,-0.6 2,-0.5 0.452 71.8 149.6 111.1 3.4 24.3 55.4 9.2 132 135 A V E < +j 65 0D 1 -5,-2.3 -1,-0.3 -68,-0.2 -66,-0.2 -0.591 11.4 168.0 -72.8 118.9 25.8 53.1 11.9 133 136 A T E + 0 0 2 -68,-3.0 32,-3.0 -2,-0.5 2,-0.4 0.564 67.5 35.9-107.0 -14.0 26.7 55.3 14.9 134 137 A T E +jk 66 165D 3 -69,-1.4 -67,-1.8 30,-0.2 2,-0.4 -0.991 67.0 179.6-140.9 129.5 27.3 52.5 17.5 135 138 A V E -jk 67 166D 1 30,-2.8 32,-2.1 -2,-0.4 2,-0.5 -0.987 19.8-142.1-132.9 142.2 28.9 49.2 16.7 136 139 A E E - 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