==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-AUG-04 1WOG . COMPND 2 MOLECULE: AGMATINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR H.J.AHN,K.H.KIM,J.LEE,J.-Y.HA,H.H.LEE,D.KIM,H.-J.YOON,A.- . 1818 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1251 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 318 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 2.3 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 . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 134 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 237 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 9 8 0 6 11 0 0 1 3 3 0 5 2 4 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 6 12 0 12 12 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 . 12 6 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 6 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 G 0 0 122 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.1 -35.6 -25.6 46.3 2 4 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 1299,-0.1 -0.341 360.0-151.5 -65.6 143.9 -35.6 -24.1 42.7 3 5 A A - 0 0 67 1299,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.914 20.3-102.7-119.4 145.2 -35.0 -20.4 42.4 4 6 A H - 0 0 46 -2,-0.4 1297,-0.1 1,-0.1 451,-0.1 -0.184 29.8-125.8 -60.4 153.2 -36.2 -18.0 39.8 5 7 A L > - 0 0 11 1297,-0.1 3,-2.0 1298,-0.1 341,-0.1 -0.440 43.5 -88.9 -87.9 172.3 -33.8 -16.8 37.1 6 8 A P T 3 S+ 0 0 8 0, 0.0 52,-0.1 0, 0.0 340,-0.1 0.843 127.9 54.8 -54.5 -34.8 -33.6 -13.0 36.7 7 9 A Y T 3 S+ 0 0 19 338,-0.4 2,-0.3 1244,-0.1 1260,-0.2 0.466 98.9 79.8 -80.1 0.0 -36.5 -12.8 34.3 8 10 A G S < S+ 0 0 1 -3,-2.0 1293,-0.1 50,-0.1 -4,-0.1 -0.794 75.3 22.5-111.6 153.2 -38.9 -14.7 36.6 9 11 A G S S- 0 0 4 -2,-0.3 1289,-0.1 1291,-0.1 1291,-0.1 -0.027 95.7 -50.8 87.9 167.0 -40.9 -13.5 39.6 10 12 A I - 0 0 12 1289,-0.1 2,-1.0 1,-0.1 1218,-0.1 -0.638 61.8-117.9 -77.3 128.6 -42.3 -10.2 40.7 11 13 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 44,-0.2 -0.565 48.6 155.5 -76.8 102.5 -39.4 -7.6 40.8 12 14 A T > - 0 0 11 -2,-1.0 3,-2.7 42,-0.2 2,-0.1 -0.891 59.2 -79.5-117.5 150.4 -38.9 -6.4 44.3 13 15 A F G > S- 0 0 2 -2,-0.3 3,-2.0 1,-0.3 18,-0.1 -0.322 115.3 -8.6 -56.5 124.1 -35.5 -5.0 45.3 14 16 A A G 3 S- 0 0 5 40,-0.3 -1,-0.3 1,-0.3 64,-0.1 0.704 118.6 -79.3 60.2 21.1 -33.1 -7.9 46.0 15 17 A R G < S+ 0 0 66 -3,-2.7 -1,-0.3 39,-0.2 -2,-0.2 0.733 87.3 160.9 59.1 25.6 -36.2 -10.1 45.7 16 18 A A < - 0 0 7 -3,-2.0 63,-0.2 1,-0.1 -1,-0.2 -0.302 47.2 -87.1 -74.4 158.2 -37.1 -9.1 49.3 17 19 A P - 0 0 87 0, 0.0 63,-2.4 0, 0.0 2,-0.3 -0.329 45.9-111.6 -65.9 148.7 -40.7 -9.5 50.7 18 20 A L B +a 80 0A 79 61,-0.2 2,-0.3 -3,-0.1 63,-0.2 -0.624 43.0 167.6 -84.8 138.1 -43.1 -6.6 50.1 19 21 A V - 0 0 28 61,-2.3 60,-0.0 -2,-0.3 6,-0.0 -0.905 35.7-107.1-141.4 168.4 -44.2 -4.5 53.0 20 22 A Q > - 0 0 125 -2,-0.3 3,-2.5 1,-0.1 62,-0.1 -0.820 31.4-120.4 -99.3 140.7 -46.0 -1.2 53.7 21 23 A P T 3 S+ 0 0 16 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.830 114.6 33.1 -46.3 -41.3 -43.9 1.8 55.0 22 24 A D T 3 S+ 0 0 96 59,-0.1 2,-0.0 2,-0.1 83,-0.0 0.052 98.6 118.5-106.7 24.5 -46.0 2.0 58.2 23 25 A G S < S- 0 0 22 -3,-2.5 2,-1.3 1,-0.1 -4,-0.0 -0.208 80.0 -89.0 -83.0 177.7 -46.7 -1.7 58.5 24 26 A D S S+ 0 0 165 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.679 83.0 108.6 -91.1 85.3 -45.7 -4.1 61.3 25 27 A W - 0 0 29 -2,-1.3 2,-0.3 -4,-0.1 54,-0.0 -0.967 44.6-160.4-152.1 165.8 -42.2 -5.2 60.1 26 28 A Q + 0 0 167 -2,-0.3 2,-0.3 52,-0.1 83,-0.2 -0.984 17.4 159.8-151.4 140.2 -38.5 -4.9 60.8 27 29 A A E -b 109 0A 13 81,-2.0 83,-0.7 -2,-0.3 51,-0.1 -0.985 46.1-119.9-158.2 158.4 -35.5 -5.6 58.7 28 30 A D E S+ 0 0 36 49,-0.4 83,-2.9 -2,-0.3 82,-1.2 0.925 104.5 24.4 -67.0 -44.4 -31.8 -4.8 58.4 29 31 A V E -bc 111 78A 0 48,-2.5 50,-1.3 81,-0.2 2,-0.4 -0.982 68.4-178.8-126.3 134.0 -32.2 -3.2 55.0 30 32 A A E -bc 112 79A 0 81,-1.3 83,-3.0 -2,-0.4 2,-0.3 -0.998 13.8-148.1-134.8 132.4 -35.4 -1.7 53.5 31 33 A A E -bc 113 80A 2 48,-2.3 50,-2.8 -2,-0.4 2,-0.4 -0.767 13.4-177.5-101.1 145.1 -35.8 -0.2 50.1 32 34 A L E -b 114 0A 0 81,-2.5 83,-2.5 -2,-0.3 2,-0.3 -0.991 14.4-144.9-141.4 130.6 -38.2 2.7 49.2 33 35 A G E -bc 115 83A 0 49,-2.6 51,-2.6 -2,-0.4 83,-0.2 -0.714 12.1-170.0-101.4 149.9 -38.8 4.1 45.8 34 36 A V E -b 116 0A 0 81,-3.0 2,-2.5 -2,-0.3 83,-0.6 -0.744 5.0-169.5-136.7 83.3 -39.5 7.7 44.8 35 37 A P + 0 0 3 0, 0.0 2,-0.5 0, 0.0 12,-0.2 -0.360 40.0 134.1 -74.7 62.9 -40.5 7.7 41.1 36 38 A F + 0 0 10 -2,-2.5 82,-3.1 10,-0.2 81,-0.7 -0.963 11.8 145.8-119.2 121.7 -40.3 11.5 40.8 37 39 A D > + 0 0 2 -2,-0.5 3,-0.7 80,-0.2 9,-0.2 0.205 39.3 104.3-141.0 19.7 -38.5 13.2 37.9 38 40 A I T 3 S+ 0 0 17 1,-0.2 1571,-0.6 1520,-0.1 1520,-0.1 0.476 74.9 65.0 -83.8 1.8 -40.4 16.4 37.2 39 41 A A T 3 S+ 0 0 0 1569,-0.1 118,-1.3 117,-0.1 119,-0.2 0.586 77.4 100.1 -98.0 -11.5 -37.7 18.6 38.8 40 42 A L < - 0 0 3 -3,-0.7 1569,-0.2 116,-0.2 -3,-0.0 -0.367 66.5-140.0 -74.7 155.4 -34.9 17.9 36.4 41 43 A G S S+ 0 0 8 2,-0.1 574,-0.4 1567,-0.1 -1,-0.1 0.313 78.9 20.9-100.8 11.2 -34.0 20.4 33.7 42 44 A F S S+ 0 0 21 1,-0.1 199,-0.1 572,-0.1 573,-0.0 0.216 111.3 14.4-136.2-100.7 -33.2 18.2 30.7 43 45 A R - 0 0 25 197,-0.1 3,-0.3 571,-0.0 -1,-0.1 -0.791 62.8-148.2 -98.8 116.1 -34.2 14.6 29.9 44 46 A P + 0 0 4 0, 0.0 -6,-0.1 0, 0.0 230,-0.0 -0.176 55.4 101.3 -72.0 167.1 -36.9 12.9 31.9 45 47 A G > + 0 0 0 -8,-0.1 3,-2.4 231,-0.1 4,-0.3 0.117 45.3 105.3 144.3 -23.7 -37.0 9.2 32.6 46 48 A A G > + 0 0 1 1,-0.3 3,-1.0 -3,-0.3 -10,-0.2 0.636 68.0 76.7 -61.2 -13.0 -35.8 8.8 36.2 47 49 A R G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -12,-0.2 4,-0.3 0.744 95.8 50.3 -68.7 -18.4 -39.4 8.1 37.2 48 50 A F G <> S+ 0 0 55 -3,-2.4 4,-2.1 1,-0.1 -1,-0.3 0.512 87.5 88.5 -93.8 -7.7 -38.8 4.7 35.7 49 51 A A H <> S+ 0 0 0 -3,-1.0 4,-3.3 224,-0.4 5,-0.3 0.894 79.4 57.0 -60.2 -45.2 -35.5 4.1 37.7 50 52 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.926 112.4 42.9 -54.2 -44.3 -37.0 2.5 40.8 51 53 A R H > S+ 0 0 24 -4,-0.3 4,-2.4 1172,-0.2 -2,-0.2 0.912 114.5 49.6 -68.1 -43.2 -38.7 -0.2 38.8 52 54 A A H X S+ 0 0 7 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.890 110.4 50.8 -63.0 -39.4 -35.6 -0.7 36.6 53 55 A L H X S+ 0 0 0 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.878 109.1 51.2 -66.6 -37.6 -33.4 -1.0 39.6 54 56 A R H X S+ 0 0 1 -4,-1.8 4,-0.5 -5,-0.3 -40,-0.3 0.942 112.5 45.8 -63.6 -47.6 -35.7 -3.6 41.2 55 57 A E H >< S+ 0 0 54 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.933 115.0 47.2 -60.8 -46.3 -35.6 -5.6 38.0 56 58 A A H >< S+ 0 0 5 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.825 100.9 66.5 -65.8 -31.4 -31.8 -5.3 37.7 57 59 A S H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 -1,-0.3 0.666 81.6 77.3 -65.5 -14.9 -31.4 -6.2 41.4 58 60 A L T << S+ 0 0 8 -3,-1.2 3,-0.4 -4,-0.5 -1,-0.3 0.613 89.8 57.2 -70.3 -9.3 -32.7 -9.7 40.6 59 61 A R T < S+ 0 0 87 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.515 110.1 46.4 -92.8 -9.1 -29.2 -10.3 39.2 60 62 A S S < S+ 0 0 13 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.1 -0.396 73.0 159.2-131.0 55.9 -27.8 -9.3 42.6 61 63 A V - 0 0 39 -3,-0.4 -46,-0.1 2,-0.1 -3,-0.1 -0.688 42.0 -86.4 -83.3 127.0 -29.8 -11.2 45.2 62 64 A P S S+ 0 0 26 0, 0.0 2,-0.2 0, 0.0 11,-0.1 -0.304 90.2 56.7 -76.6 163.1 -28.0 -11.6 48.6 63 65 A P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 10,-0.2 0.604 67.0-155.4 -79.9 175.3 -26.1 -13.1 50.3 64 66 A F E -I 72 0B 3 8,-2.3 8,-2.6 -2,-0.2 2,-0.7 -0.963 12.5-164.5-123.8 123.8 -22.9 -13.1 48.2 65 67 A T E -I 71 0B 33 -2,-0.5 423,-2.1 6,-0.3 6,-0.3 -0.906 26.0-149.8-103.9 110.1 -20.1 -15.7 48.4 66 68 A G > - 0 0 19 4,-2.5 3,-2.1 -2,-0.7 422,-0.1 -0.009 31.6 -88.4 -73.5 179.8 -17.1 -14.2 46.6 67 69 A L T 3 S+ 0 0 37 418,-0.3 -1,-0.1 1,-0.3 419,-0.1 0.850 127.0 58.7 -56.0 -36.9 -14.3 -15.8 44.6 68 70 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.558 117.9-113.7 -72.0 -6.9 -12.3 -16.1 47.9 69 71 A G S < S+ 0 0 44 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.378 74.3 131.9 91.0 -5.3 -15.2 -18.2 49.3 70 72 A K - 0 0 123 -5,-0.1 -4,-2.5 1,-0.0 2,-0.4 -0.593 48.4-139.3 -82.8 143.0 -16.1 -15.7 51.9 71 73 A T E -I 65 0B 56 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.3 -0.843 14.4-165.2-107.1 138.9 -19.8 -14.7 52.2 72 74 A R E +I 64 0B 51 -8,-2.6 -8,-2.3 -2,-0.4 3,-0.1 -0.906 69.6 21.6-121.7 151.5 -21.2 -11.2 52.8 73 75 A L S > S+ 0 0 9 -2,-0.3 3,-1.4 1,-0.2 2,-0.3 0.676 77.7 166.3 68.1 20.2 -24.7 -10.1 53.9 74 76 A Q T 3 S+ 0 0 135 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.511 71.4 3.4 -68.1 126.2 -25.3 -13.6 55.4 75 77 A G T 3 S+ 0 0 65 -2,-0.3 2,-0.6 1,-0.3 -1,-0.3 0.387 94.1 138.6 80.1 -6.4 -28.3 -13.4 57.6 76 78 A V < - 0 0 25 -3,-1.4 -1,-0.3 -48,-0.1 2,-0.2 -0.632 46.8-141.0 -75.7 118.3 -28.9 -9.7 56.7 77 79 A T - 0 0 73 -2,-0.6 -48,-2.5 -3,-0.1 -49,-0.4 -0.590 16.5-163.3 -86.2 144.2 -32.7 -9.3 56.2 78 80 A F E - c 0 29A 22 -2,-0.2 2,-0.3 -50,-0.2 -48,-0.2 -0.857 9.2-178.2-123.5 157.4 -34.2 -7.2 53.4 79 81 A A E - c 0 30A 5 -50,-1.3 -48,-2.3 -2,-0.3 2,-0.6 -0.979 20.3-141.4-150.1 150.7 -37.7 -5.7 52.8 80 82 A D E -ac 18 31A 0 -63,-2.4 -61,-2.3 -2,-0.3 -48,-0.2 -0.952 9.7-170.0-119.2 108.9 -39.1 -3.6 49.9 81 83 A A E - 0 0 2 -50,-2.8 -49,-0.1 -2,-0.6 2,-0.1 0.307 36.5-132.3 -80.7 9.8 -41.5 -0.9 51.2 82 84 A G E - 0 0 8 -51,-0.2 -49,-2.6 -62,-0.1 2,-0.3 -0.395 42.2 -41.2 75.1-153.0 -42.7 -0.2 47.7 83 85 A D E - c 0 33A 9 -51,-0.2 -49,-0.2 -3,-0.1 2,-0.1 -0.823 54.2-103.2-115.7 155.4 -42.9 3.4 46.4 84 86 A V - 0 0 4 -51,-2.6 2,-1.0 -2,-0.3 1141,-0.1 -0.489 43.1-115.8 -67.8 140.7 -44.0 6.7 47.9 85 87 A I - 0 0 55 -2,-0.1 -1,-0.1 12,-0.1 1135,-0.1 -0.742 40.9-164.1 -84.9 105.5 -47.5 7.5 46.5 86 88 A L - 0 0 8 -2,-1.0 1135,-0.1 1,-0.1 2,-0.1 -0.628 11.6-140.1 -94.1 147.5 -46.8 10.6 44.5 87 89 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 1585,-0.2 -0.284 36.5 -92.7 -88.7-176.4 -49.4 13.1 43.2 88 90 A S S S- 0 0 4 1583,-1.9 1587,-0.1 1582,-0.3 1471,-0.1 -0.822 92.1 -24.7 -96.3 142.6 -49.1 14.7 39.8 89 91 A L S S+ 0 0 4 1469,-0.6 5,-0.2 -2,-0.4 -51,-0.1 -0.284 92.3 116.7 53.3-137.3 -47.3 18.0 39.9 90 92 A E > - 0 0 61 1,-0.1 4,-2.4 3,-0.1 3,-0.3 0.905 41.4-175.6 44.1 59.7 -47.7 19.4 43.5 91 93 A P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.869 78.0 52.9 -52.3 -41.8 -44.0 19.3 44.4 92 94 A Q H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.912 110.4 46.2 -63.1 -43.3 -44.6 20.4 48.0 93 95 A L H > S+ 0 0 50 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.913 111.8 52.8 -64.7 -41.5 -47.2 17.6 48.7 94 96 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 108.1 51.2 -58.9 -45.0 -44.8 15.1 47.0 95 97 A H H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.926 109.0 50.1 -58.4 -47.3 -42.1 16.3 49.4 96 98 A D H X S+ 0 0 74 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.898 112.3 47.2 -60.5 -40.4 -44.2 15.8 52.4 97 99 A R H X S+ 0 0 49 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.884 111.3 51.6 -68.6 -37.7 -45.2 12.3 51.4 98 100 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.918 111.4 46.8 -64.6 -44.4 -41.6 11.4 50.6 99 101 A T H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.919 112.9 49.3 -64.6 -43.8 -40.4 12.6 54.1 100 102 A E H X S+ 0 0 92 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.933 113.0 45.7 -62.1 -47.4 -43.3 10.8 55.9 101 103 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.901 112.8 51.6 -63.2 -40.1 -42.6 7.5 54.1 102 104 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.899 108.3 51.5 -63.5 -41.2 -38.9 7.8 54.6 103 105 A R H X S+ 0 0 123 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.929 111.5 47.0 -60.7 -46.5 -39.4 8.4 58.4 104 106 A Q H < S+ 0 0 42 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.907 114.8 45.4 -62.3 -45.3 -41.6 5.3 58.7 105 107 A V H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.920 110.4 54.5 -65.5 -43.9 -39.2 3.1 56.7 106 108 A R H >< S+ 0 0 51 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.884 103.8 56.4 -57.0 -40.0 -36.2 4.5 58.7 107 109 A G T 3< S+ 0 0 66 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.590 109.7 45.7 -70.7 -8.6 -37.9 3.5 61.9 108 110 A R T < S+ 0 0 69 -3,-1.6 -81,-2.0 -4,-0.4 2,-0.3 0.359 112.4 41.7-116.7 5.0 -38.2 -0.1 60.9 109 111 A C E < -b 27 0A 21 -3,-1.0 -81,-0.2 -4,-0.5 -80,-0.2 -0.900 67.0-129.3-143.4 171.4 -34.8 -0.9 59.5 110 112 A R E S+ 0 0 130 -82,-1.2 -81,-0.2 -83,-0.7 -82,-0.1 0.898 100.1 21.4 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B > S-J 153 0C 43 3,-2.0 3,-1.5 -2,-0.4 1458,-0.3 -0.986 72.9 -5.3-145.9 133.4 -32.7 27.9 39.3 151 153 A N T 3 S- 0 0 40 -2,-0.3 1457,-2.1 1,-0.3 3,-0.1 0.884 128.3 -57.8 46.3 46.7 -35.3 28.5 36.5 152 154 A D T 3 S+ 0 0 75 1455,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.676 115.7 99.9 60.9 24.7 -37.5 30.3 39.0 153 155 A T B < -J 150 0C 2 -3,-1.5 -3,-2.0 1,-0.1 3,-0.2 -0.972 58.3-154.4-138.6 155.0 -37.9 27.5 41.4 154 156 A K S S+ 0 0 82 -2,-0.3 9,-0.1 -5,-0.2 -1,-0.1 0.494 91.7 61.9 -99.5 -9.4 -36.4 26.4 44.8 155 157 A W + 0 0 64 1453,-0.1 -1,-0.1 -5,-0.1 -6,-0.1 0.085 69.4 123.9-109.5 24.1 -37.2 22.7 44.2 156 158 A S S > S- 0 0 1 -3,-0.2 3,-1.6 -6,-0.1 -116,-0.2 -0.212 78.3-100.8 -75.5 174.0 -35.2 21.7 41.2 157 159 A N T 3 S+ 0 0 15 -118,-1.3 -117,-0.1 1,-0.3 -1,-0.1 0.442 120.2 66.8 -75.6 3.1 -32.6 18.9 41.2 158 160 A S T 3 S+ 0 0 27 -119,-0.2 -11,-2.7 1,-0.1 -1,-0.3 0.471 102.5 45.4 -97.8 -3.9 -29.9 21.5 41.4 159 161 A S X> + 0 0 0 -3,-1.6 4,-2.8 -13,-0.2 3,-0.8 0.423 69.8 110.9-120.9 2.0 -31.0 22.6 44.9 160 162 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -14,-0.1 0.846 86.4 41.6 -48.4 -43.2 -31.6 19.5 47.1 161 163 A F H 3> S+ 0 0 0 -16,-1.5 4,-2.2 2,-0.2 -15,-0.2 0.762 113.3 52.9 -78.7 -22.7 -28.7 20.0 49.4 162 164 A R H <> S+ 0 0 37 -3,-0.8 4,-1.8 -17,-0.6 -1,-0.2 0.932 113.8 43.9 -72.7 -45.6 -29.2 23.7 49.8 163 165 A R H X S+ 0 0 2 -4,-2.8 4,-1.5 -16,-0.2 -2,-0.2 0.895 113.6 52.6 -63.2 -40.6 -32.8 23.0 50.7 164 166 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 3,-0.2 0.927 107.1 50.3 -62.9 -47.4 -31.7 20.2 53.0 165 167 A C H < S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.887 110.8 49.0 -61.3 -38.4 -29.2 22.3 54.9 166 168 A E H < S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.7 42.1 -73.1 -25.1 -31.7 25.1 55.6 167 169 A A H < S+ 0 0 43 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.668 117.2 50.0 -91.8 -16.9 -34.3 22.6 56.8 168 170 A L >< - 0 0 4 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.2 -0.829 53.7-178.5-127.9 95.3 -31.8 20.5 58.9 169 171 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.736 86.7 64.1 -62.5 -18.6 -29.4 22.4 61.3 170 172 A N T 3 S+ 0 0 22 -40,-0.1 2,-1.7 1,-0.1 -35,-1.6 0.589 75.0 93.4 -80.0 -12.5 -27.9 18.9 62.1 171 173 A L E < +e 135 0A 1 -3,-1.9 -35,-0.1 -6,-0.2 -1,-0.1 -0.669 51.9 162.7 -81.8 90.2 -26.7 18.5 58.5 172 174 A V E + 0 0 57 -2,-1.7 2,-0.3 -37,-1.1 -1,-0.2 0.602 51.5 18.4 -90.1 -13.4 -23.2 20.0 59.3 173 175 A H E -e 136 0A 31 -38,-1.3 -36,-2.1 -3,-0.1 2,-0.4 -0.982 49.7-165.4-162.1 146.1 -21.2 18.8 56.4 174 176 A I E -e 137 0A 3 -2,-0.3 24,-2.5 -38,-0.2 2,-0.5 -0.998 6.3-162.0-132.9 135.5 -21.2 17.5 52.8 175 177 A T E -eg 138 198A 1 -38,-3.1 -36,-3.3 -2,-0.4 2,-0.5 -0.982 13.4-167.9-116.1 117.1 -18.4 15.9 50.9 176 178 A T E -eg 139 199A 3 22,-2.8 24,-3.1 -2,-0.5 2,-0.4 -0.939 3.8-171.9-112.2 125.2 -19.0 15.9 47.2 177 179 A V E +eg 140 200A 0 -38,-3.2 -36,-2.2 -2,-0.5 -34,-0.1 -0.952 58.5 34.8-121.5 133.6 -16.8 13.8 44.9 178 180 A G E + 0 0 0 22,-2.5 24,-0.2 -2,-0.4 -1,-0.1 0.357 65.9 164.5 114.1 -2.2 -16.7 13.7 41.1 179 181 A L E + g 0 201A 2 21,-0.8 23,-2.6 -3,-0.2 24,-0.5 -0.152 11.7 139.3 -53.7 136.0 -17.4 17.4 40.1 180 182 A R + 0 0 24 -38,-1.8 2,-0.2 21,-0.2 3,-0.1 -0.963 11.3 97.4-168.2 162.0 -16.5 18.3 36.5 181 183 A G S S- 0 0 19 -2,-0.3 494,-0.4 1,-0.1 62,-0.1 -0.461 71.5 -88.5 128.7 158.8 -17.9 20.3 33.7 182 184 A L S S+ 0 0 13 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.753 104.1 51.6 -73.2 -24.2 -17.6 23.8 32.0 183 185 A R + 0 0 116 489,-0.1 2,-0.3 -3,-0.1 491,-0.2 -0.950 53.1 164.2-128.1 136.5 -20.2 25.4 34.2 184 186 A F - 0 0 17 489,-2.1 489,-0.1 -2,-0.4 3,-0.1 -0.973 45.5-106.4-139.1 150.2 -20.9 25.7 38.0 185 187 A D > - 0 0 53 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.690 30.0-156.7 -76.5 107.7 -23.1 28.1 40.0 186 188 A P H > S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.824 91.4 51.5 -58.2 -32.6 -20.4 30.4 41.6 187 189 A E H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.916 111.0 48.6 -69.7 -41.9 -22.8 31.3 44.4 188 190 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 113.4 45.9 -63.3 -47.6 -23.5 27.7 45.2 189 191 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.937 116.2 45.1 -62.4 -47.5 -19.8 26.7 45.1 190 192 A A H X S+ 0 0 57 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.895 113.7 49.9 -65.0 -39.7 -18.7 29.7 47.3 191 193 A A H X S+ 0 0 18 -4,-2.7 4,-1.3 2,-0.2 6,-0.2 0.940 111.3 49.0 -64.0 -46.5 -21.6 29.1 49.7 192 194 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.5 0.937 114.2 45.7 -58.4 -46.5 -20.8 25.4 50.1 193 195 A R H ><5S+ 0 0 125 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.899 109.1 54.5 -64.3 -41.0 -17.1 26.3 50.7 194 196 A A H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.736 105.9 54.6 -65.2 -21.8 -18.0 29.0 53.2 195 197 A R T <<5S- 0 0 122 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.434 123.0-106.6 -89.2 -2.7 -20.0 26.5 55.1 196 198 A G T < 5 + 0 0 44 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.480 65.9 155.3 91.5 2.3 -17.0 24.1 55.3 197 199 A H < - 0 0 14 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.279 42.4-123.5 -62.9 149.4 -18.3 21.6 52.8 198 200 A T E -g 175 0A 36 -24,-2.5 -22,-2.8 2,-0.0 2,-0.6 -0.863 22.0-165.3-102.2 123.5 -15.6 19.6 51.0 199 201 A I E 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-65.9 -49.6 -53.6 28.7 25.9 1646 128 F L H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.745 95.3 72.0 -63.1 -25.3 -57.4 29.1 25.9 1647 129 F R G >< S+ 0 0 53 -4,-1.4 3,-0.8 1,-0.3 -1,-0.3 0.694 88.9 64.7 -64.0 -16.0 -57.2 31.9 28.5 1648 130 F A G < S+ 0 0 8 -3,-1.7 -1,-0.3 -4,-0.3 3,-0.2 0.449 95.4 58.8 -85.1 -0.9 -55.8 34.0 25.6 1649 131 F F G X + 0 0 0 -3,-2.2 3,-1.7 1,-0.1 -1,-0.2 -0.038 63.4 123.2-115.9 28.9 -59.1 33.7 23.8 1650 132 F A T < S+ 0 0 57 -3,-0.8 -1,-0.1 1,-0.3 40,-0.1 0.759 71.6 56.8 -61.9 -25.5 -61.3 35.3 26.5 1651 133 F D T 3 S+ 0 0 119 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.266 78.6 104.6 -92.6 11.7 -62.5 37.9 24.0 1652 134 F V S X S- 0 0 8 -3,-1.7 3,-1.0 89,-0.0 -3,-0.1 -0.829 72.1-132.4 -94.1 109.3 -63.9 35.4 21.5 1653 135 F P T 3 S- 0 0 83 0, 0.0 88,-0.3 0, 0.0 3,-0.2 -0.332 82.0 -1.2 -64.5 141.3 -67.7 35.4 21.8 1654 136 F D T 3 S- 0 0 96 1,-0.2 87,-0.5 86,-0.1 37,-0.2 0.877 89.6-162.4 46.7 46.4 -69.4 32.0 22.0 1655 137 F L E < -mn16911741Z 0 35,-1.6 38,-1.2 -3,-1.0 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157 F W + 0 0 64 -1587,-0.1 -1,-0.1 -5,-0.1 -32,-0.1 0.134 69.6 126.0-107.6 22.2 -53.6 21.1 36.7 1676 158 F S S > S- 0 0 1 -3,-0.3 3,-1.6 -6,-0.2 -116,-0.2 -0.143 77.9-101.0 -71.6 174.0 -53.0 17.6 35.2 1677 159 F N T 3 S+ 0 0 17 -118,-1.3 -1,-0.1 1,-0.3 -117,-0.1 0.497 120.5 67.6 -74.8 1.2 -53.4 16.9 31.5 1678 160 F S T 3 S+ 0 0 23 -119,-0.2 -11,-2.4 1,-0.1 -1,-0.3 0.422 101.5 45.2 -96.8 -1.1 -56.8 15.5 32.4 1679 161 F S <> + 0 0 0 -3,-1.6 4,-2.9 -13,-0.2 3,-0.4 0.395 69.4 110.4-125.2 5.4 -58.3 18.9 33.5 1680 162 F P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -14,-0.1 0.863 87.4 41.2 -51.1 -42.7 -57.4 21.5 30.9 1681 163 F F H > S+ 0 0 0 -16,-1.3 4,-2.3 2,-0.2 -15,-0.2 0.796 113.7 52.3 -78.0 -26.1 -60.9 22.0 29.5 1682 164 F R H > S+ 0 0 34 -17,-0.6 4,-1.9 -3,-0.4 -1,-0.2 0.941 113.8 44.7 -70.2 -46.8 -62.6 21.9 32.9 1683 165 F R H X S+ 0 0 2 -4,-2.9 4,-0.9 -16,-0.2 -2,-0.2 0.892 113.4 51.8 -61.4 -41.8 -60.1 24.6 34.1 1684 166 F A H >X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 3,-0.6 0.928 108.9 48.8 -63.0 -47.7 -60.7 26.5 30.8 1685 167 F C H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 109.5 51.3 -62.6 -39.6 -64.5 26.5 31.1 1686 168 F E H 3< S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.718 118.1 39.7 -72.9 -15.9 -64.5 27.7 34.7 1687 169 F A H << S+ 0 0 47 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.644 116.0 52.0-102.6 -19.3 -62.2 30.5 33.8 1688 170 F L >< - 0 0 7 -4,-2.0 3,-1.8 -5,-0.1 -1,-0.2 -0.849 52.9-179.3-123.6 96.5 -63.8 31.5 30.5 1689 171 F P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.703 85.8 65.4 -66.4 -14.5 -67.6 32.0 30.5 1690 172 F N T 3 S+ 0 0 23 1,-0.1 2,-1.7 -40,-0.1 -35,-1.6 0.605 75.5 90.5 -81.4 -12.6 -67.2 32.7 26.7 1691 173 F L E < +m 1655 0Z 1 -3,-1.8 -35,-0.1 -7,-0.2 -1,-0.1 -0.675 54.5 164.4 -84.1 89.0 -66.2 29.1 26.1 1692 174 F V E + 0 0 57 -2,-1.7 2,-0.3 -37,-0.9 -1,-0.2 0.624 51.2 17.2 -86.2 -15.2 -69.8 27.9 25.6 1693 175 F H E -m 1656 0Z 34 -38,-1.2 -36,-1.9 -3,-0.1 2,-0.4 -0.991 50.0-164.7-161.0 149.3 -69.3 24.5 24.0 1694 176 F I E -m 1657 0Z 2 -2,-0.3 24,-2.2 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186 F F - 0 0 15 -423,-2.4 -423,-0.1 -2,-0.4 3,-0.1 -0.992 41.2-111.9-137.9 143.3 -64.0 7.4 32.1 1705 187 F D > - 0 0 54 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.652 26.0-158.2 -74.2 109.9 -64.3 9.9 34.9 1706 188 F P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.850 91.2 52.6 -60.1 -35.1 -68.1 9.8 35.6 1707 189 F E H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.893 110.9 48.0 -68.0 -38.2 -68.0 13.2 37.3 1708 190 F A H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 112.3 47.6 -68.8 -43.0 -66.3 14.7 34.3 1709 191 F V H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.933 113.7 48.1 -63.8 -45.5 -68.7 13.1 31.8 1710 192 F A H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 112.7 48.7 -60.7 -44.2 -71.7 14.3 33.8 1711 193 F A H X S+ 0 0 16 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.875 111.7 49.0 -64.8 -39.7 -70.2 17.8 34.1 1712 194 F A H ><>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 3,-0.6 0.938 114.4 44.4 -65.9 -47.3 -69.5 18.0 30.3 1713 195 F R H ><5S+ 0 0 126 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.888 106.0 60.6 -64.7 -39.7 -73.0 16.8 29.4 1714 196 F A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 106.2 49.4 -57.8 -26.9 -74.6 19.1 32.0 1715 197 F R T <<5S- 0 0 114 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.391 122.0-109.1 -92.8 1.7 -73.0 22.0 30.0 1716 198 F G T < 5 + 0 0 46 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.570 60.1 163.5 82.8 9.1 -74.3 20.7 26.7 1717 199 F H < - 0 0 14 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.2 -0.315 38.3-123.0 -61.8 142.2 -70.9 19.5 25.5 1718 200 F T E -o 1695 0Z 36 -24,-2.2 -22,-2.5 17,-0.0 2,-0.6 -0.796 23.9-165.5 -93.7 120.6 -71.0 17.1 22.6 1719 201 F I E -o 1696 0Z 15 -2,-0.6 -22,-0.2 -24,-0.2 -24,-0.1 -0.920 4.0-173.1-109.8 115.9 -69.3 13.8 23.2 1720 202 F I E -o 1697 0Z 0 -24,-3.0 -22,-2.4 -2,-0.6 -21,-0.9 -0.864 13.6-148.9-113.5 99.7 -68.6 11.7 20.1 1721 203 F P E >> -o 1699 0Z 21 0, 0.0 3,-1.1 0, 0.0 4,-1.0 -0.223 27.3-113.3 -61.0 153.0 -67.2 8.2 20.9 1722 204 F M H 3> S+ 0 0 8 -23,-2.7 4,-2.2 1,-0.3 5,-0.2 0.773 115.3 70.0 -60.0 -24.8 -64.8 6.6 18.3 1723 205 F D H 3> S+ 0 0 122 -24,-0.4 4,-2.8 1,-0.2 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