==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-APR-13 4KEV . COMPND 2 MOLECULE: ARYLDIALKYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR G.GOTTHARD,J.HIBLOT,E.CHABRIERE,M.ELIAS . 1256 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 895 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 92 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 3.3 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 5 0 7 4 8 5 0 4 4 3 0 1 2 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 9 9 10 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 PARALLEL BRIDGES PER LADDER . 3 3 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 . 3 4 0 0 1 3 0 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 1 A M 0 0 148 0, 0.0 313,-0.1 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 -17.4 -37.3 -1.0 -24.4 2 2 A R - 0 0 133 311,-0.1 10,-0.3 1,-0.1 8,-0.0 0.465 360.0-123.9 75.8 137.5 -38.7 2.5 -24.2 3 3 A I E -A 11 0A 3 8,-2.7 8,-2.1 162,-0.0 2,-0.3 -0.916 12.8-122.8-120.3 141.1 -37.2 5.2 -21.9 4 4 A P E - 0 0 31 0, 0.0 2,-0.3 0, 0.0 88,-0.3 -0.643 27.5-158.1 -80.6 133.8 -38.7 7.3 -19.1 5 5 A L E > -A 8 0A 7 3,-0.7 2,-1.2 -2,-0.3 3,-1.1 -0.771 31.3 -94.7-109.1 157.6 -38.5 11.1 -19.5 6 6 A V T 3 S- 0 0 1 84,-2.0 84,-0.2 -2,-0.3 3,-0.1 -0.580 108.5 -14.8 -71.8 98.6 -38.7 13.8 -16.9 7 7 A G T 3 S+ 0 0 39 -2,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.866 112.8 112.4 76.1 38.7 -42.4 14.7 -17.0 8 8 A K E < S-A 5 0A 73 -3,-1.1 -3,-0.7 3,-0.0 -1,-0.2 -0.999 81.1-110.6-143.7 145.6 -43.3 13.0 -20.3 9 9 A D E S- 0 0 171 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 0.443 72.1-106.4 -54.6 4.4 -45.4 10.1 -21.3 10 10 A S E - 0 0 35 -8,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.269 32.5-124.4 83.6 149.7 -42.1 8.4 -22.1 11 11 A I E -A 3 0A 29 -8,-2.1 -8,-2.7 -3,-0.1 2,-0.3 -0.738 21.5-100.5-123.9 173.2 -40.6 7.6 -25.5 12 12 A E > - 0 0 90 -10,-0.3 3,-3.1 -2,-0.2 302,-0.1 -0.732 34.8-110.2 -98.7 146.5 -39.3 4.5 -27.4 13 13 A S G > S+ 0 0 6 -2,-0.3 3,-0.9 1,-0.3 300,-0.1 0.807 116.6 50.9 -37.9 -47.1 -35.6 3.7 -27.7 14 14 A K G 3 S+ 0 0 145 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.545 102.3 62.3 -76.6 -6.8 -35.5 4.5 -31.4 15 15 A D G < S+ 0 0 84 -3,-3.1 -1,-0.2 1,-0.2 -2,-0.2 -0.003 71.6 92.9-111.6 29.1 -37.1 7.9 -31.0 16 16 A I < + 0 0 2 -3,-0.9 46,-0.2 1,-0.1 -1,-0.2 0.665 63.1 179.2 -92.6 -19.3 -34.5 9.7 -28.9 17 17 A G + 0 0 16 -3,-0.3 2,-0.2 45,-0.1 -1,-0.1 -0.041 52.4 10.0 54.1-153.8 -32.6 11.1 -31.8 18 18 A F S S+ 0 0 31 42,-0.3 44,-3.5 44,-0.1 45,-1.9 -0.392 82.9 174.5 -60.0 119.1 -29.6 13.4 -31.4 19 19 A T E -b 63 0B 2 286,-2.2 2,-0.5 -2,-0.2 45,-0.2 -0.967 36.3-134.6-135.5 145.7 -28.7 13.2 -27.7 20 20 A L E -b 64 0B 0 43,-2.2 45,-2.7 -2,-0.3 3,-0.3 -0.886 19.9-159.3 -95.8 125.5 -26.0 14.4 -25.3 21 21 A I S S+ 0 0 3 232,-0.7 2,-0.2 -2,-0.5 233,-0.1 0.581 75.0 29.5 -90.3 -12.0 -25.0 11.4 -23.1 22 22 A H S S+ 0 0 0 231,-0.2 234,-2.1 44,-0.1 233,-0.5 -0.663 73.7 136.4-150.5 90.7 -23.5 13.2 -20.0 23 23 A E - 0 0 2 42,-1.7 2,-0.5 -3,-0.3 45,-0.3 -0.997 35.6-149.3-139.6 132.5 -24.7 16.6 -19.1 24 24 A H B -d 258 0C 6 233,-2.1 235,-1.3 -2,-0.4 236,-0.2 -0.889 6.9-165.9-104.2 123.6 -25.5 18.1 -15.7 25 25 A L S S- 0 0 4 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.884 82.4 -14.2 -67.5 -38.9 -28.2 20.8 -15.4 26 26 A R - 0 0 10 233,-0.2 2,-0.4 -3,-0.1 -1,-0.3 -0.946 63.1-164.9-164.6 142.8 -26.9 21.5 -11.9 27 27 A V B +e 261 0D 11 233,-2.1 235,-1.1 -2,-0.3 2,-0.3 -0.996 19.8 144.9-135.9 140.4 -24.6 19.9 -9.3 28 28 A F - 0 0 7 44,-2.8 2,-0.9 -2,-0.4 43,-0.1 -0.978 52.1 -92.7-163.3 162.1 -24.1 20.5 -5.6 29 29 A S >> - 0 0 5 -2,-0.3 4,-2.0 1,-0.2 3,-0.7 -0.746 31.4-144.9 -86.2 106.3 -23.3 18.8 -2.4 30 30 A E H 3> S+ 0 0 5 -2,-0.9 4,-1.7 1,-0.2 5,-0.2 0.838 97.3 51.8 -32.6 -55.2 -26.6 17.9 -0.7 31 31 A A H 3> S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.909 110.5 45.0 -54.4 -51.8 -25.2 18.6 2.7 32 32 A V H <> S+ 0 0 0 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.875 114.6 47.7 -64.5 -39.7 -23.7 22.0 2.1 33 33 A R H < S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.747 111.3 51.7 -74.4 -23.8 -26.8 23.3 0.3 34 34 A Q H < S+ 0 0 47 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.750 116.5 38.6 -83.5 -25.6 -29.1 22.1 3.0 35 35 A Q H < S+ 0 0 0 -4,-1.4 407,-0.6 -5,-0.2 -2,-0.2 0.619 129.7 29.0 -98.6 -17.3 -27.1 23.7 5.8 36 36 A W >< + 0 0 0 -4,-1.4 3,-1.9 -5,-0.2 4,-0.3 -0.478 58.7 162.5-144.9 69.1 -26.3 26.9 3.9 37 37 A P G > + 0 0 59 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 0.591 69.9 78.6 -63.1 -10.5 -29.0 27.8 1.3 38 38 A H G 3 S+ 0 0 86 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.650 83.8 62.6 -74.3 -14.8 -27.6 31.3 1.3 39 39 A L G < S+ 0 0 63 -3,-1.9 -1,-0.2 -7,-0.2 2,-0.2 0.686 100.1 63.4 -81.5 -19.5 -24.7 30.1 -0.9 40 40 A Y < - 0 0 33 -3,-0.9 2,-0.3 -4,-0.3 222,-0.0 -0.671 60.6-156.8-111.5 161.1 -27.0 29.2 -3.8 41 41 A N > - 0 0 84 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.829 2.3-171.0-139.0 97.4 -29.5 31.0 -6.1 42 42 A E H > S+ 0 0 83 -2,-0.3 4,-4.1 1,-0.2 5,-0.2 0.905 89.1 49.9 -54.6 -48.3 -32.2 28.9 -7.6 43 43 A D H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 112.8 46.0 -57.5 -48.8 -33.4 31.7 -10.0 44 44 A E H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.851 118.3 44.2 -63.9 -35.1 -29.8 32.3 -11.2 45 45 A E H X S+ 0 0 6 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.924 109.4 54.7 -73.8 -47.4 -29.3 28.6 -11.6 46 46 A F H X S+ 0 0 63 -4,-4.1 4,-1.8 -5,-0.2 -2,-0.2 0.876 111.6 45.7 -54.5 -41.3 -32.7 27.9 -13.3 47 47 A R H X S+ 0 0 129 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.957 107.8 54.4 -68.5 -52.6 -31.9 30.5 -15.9 48 48 A N H X S+ 0 0 45 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.832 112.2 47.1 -49.6 -35.0 -28.4 29.4 -16.7 49 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.880 109.4 52.3 -75.6 -40.1 -29.8 25.9 -17.3 50 50 A V H X S+ 0 0 15 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.914 107.0 52.4 -63.1 -44.9 -32.6 27.1 -19.5 51 51 A N H X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.883 111.5 47.8 -59.2 -40.6 -30.3 29.1 -21.8 52 52 A E H X S+ 0 0 20 -4,-1.1 4,-1.3 -5,-0.3 5,-0.2 0.976 113.2 44.8 -63.6 -58.3 -28.1 26.0 -22.3 53 53 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.930 115.7 45.7 -54.7 -53.7 -30.9 23.5 -23.0 54 54 A K H X S+ 0 0 112 -4,-2.3 4,-1.4 1,-0.3 -1,-0.2 0.928 117.7 42.0 -58.4 -49.3 -32.8 25.8 -25.4 55 55 A R H < S+ 0 0 76 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.3 0.593 113.9 54.5 -77.9 -9.8 -29.8 26.9 -27.4 56 56 A A H <>S+ 0 0 0 -4,-1.3 5,-1.6 -3,-0.4 -1,-0.2 0.755 106.8 50.4 -86.4 -31.1 -28.5 23.3 -27.3 57 57 A M H ><5S+ 0 0 58 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.781 99.9 65.6 -73.4 -28.8 -31.8 22.2 -28.8 58 58 A Q T 3<5S+ 0 0 80 -4,-1.4 -1,-0.2 1,-0.3 632,-0.2 0.836 97.2 55.2 -60.8 -33.0 -31.3 24.8 -31.5 59 59 A F T 3 5S- 0 0 28 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.587 133.9 -91.5 -77.0 -10.9 -28.3 22.8 -32.7 60 60 A G T < 5S+ 0 0 27 -3,-1.3 -42,-0.3 1,-0.3 -3,-0.2 0.295 72.3 153.6 119.0 -7.3 -30.5 19.7 -33.0 61 61 A V < + 0 0 3 -5,-1.6 -1,-0.3 1,-0.2 -42,-0.2 -0.367 10.6 170.9 -57.2 119.5 -30.2 18.2 -29.6 62 62 A K + 0 0 94 -44,-3.5 27,-1.1 1,-0.3 2,-0.4 0.682 61.8 30.4-105.3 -25.9 -33.3 16.2 -29.0 63 63 A T E -bc 19 89B 0 -45,-1.9 -43,-2.2 25,-0.1 2,-0.4 -0.999 58.1-167.8-141.2 138.1 -32.4 14.3 -25.8 64 64 A I E -bc 20 90B 0 25,-4.1 27,-2.1 -2,-0.4 2,-0.6 -0.983 8.3-156.8-128.2 122.0 -30.2 15.0 -22.8 65 65 A V E - c 0 91B 0 -45,-2.7 -42,-1.7 -2,-0.4 27,-0.2 -0.871 9.2-160.9 -99.5 120.1 -29.2 12.4 -20.3 66 66 A D E - c 0 92B 3 25,-1.4 27,-0.8 -2,-0.6 -42,-0.1 -0.877 9.5-166.6-107.9 108.8 -28.2 13.8 -16.9 67 67 A P + 0 0 0 0, 0.0 2,-0.8 0, 0.0 -43,-0.1 0.053 40.1 138.4 -82.4 26.5 -26.2 11.5 -14.7 68 68 A T + 0 0 3 -45,-0.3 25,-0.2 5,-0.1 2,-0.2 -0.646 26.0 149.6 -76.8 109.5 -26.7 13.7 -11.6 69 69 A V >> - 0 0 0 -2,-0.8 3,-2.7 1,-0.2 4,-0.7 -0.528 52.2 -32.8-125.8-168.3 -27.4 11.4 -8.7 70 70 A M B 34 S+f 96 0E 3 25,-1.0 27,-1.9 1,-0.3 -1,-0.2 -0.258 129.5 30.9 -53.5 131.9 -26.8 11.2 -4.9 71 71 A G T 34 S+ 0 0 15 25,-0.1 -1,-0.3 -43,-0.1 25,-0.1 0.082 117.1 60.8 101.7 -20.7 -23.6 13.0 -4.0 72 72 A L T <4 S- 0 0 13 -3,-2.7 -44,-2.8 -43,-0.1 -2,-0.2 0.467 116.7-104.7-113.0 -10.0 -24.1 15.4 -7.0 73 73 A G < - 0 0 2 -4,-0.7 -3,-0.2 -46,-0.2 -44,-0.1 0.901 39.3-161.5 89.3 46.9 -27.5 16.9 -5.8 74 74 A R - 0 0 2 -5,-0.5 2,-0.3 -7,-0.1 -1,-0.1 -0.337 10.0-177.9 -58.7 135.8 -30.1 15.2 -8.0 75 75 A D > - 0 0 49 -49,-0.1 4,-2.4 -7,-0.1 5,-0.2 -0.815 15.1-173.9-143.0 98.6 -33.4 17.2 -8.0 76 76 A I H > S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.785 87.6 54.3 -64.5 -28.7 -36.3 15.7 -10.0 77 77 A R H > S+ 0 0 130 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.872 109.7 45.6 -74.8 -38.5 -38.4 18.8 -9.4 78 78 A F H > S+ 0 0 6 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.923 114.4 49.1 -66.4 -45.2 -35.9 21.3 -10.6 79 79 A M H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.866 106.9 56.5 -61.6 -37.3 -35.2 19.1 -13.7 80 80 A E H X S+ 0 0 45 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.866 104.6 52.7 -64.8 -36.9 -39.0 18.8 -14.3 81 81 A K H X S+ 0 0 94 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.972 105.5 52.9 -59.3 -55.8 -39.2 22.6 -14.4 82 82 A V H < S+ 0 0 0 -4,-1.9 5,-0.3 1,-0.2 6,-0.3 0.855 109.1 51.5 -49.0 -40.2 -36.4 22.8 -17.1 83 83 A V H >X S+ 0 0 8 -4,-1.7 4,-3.9 1,-0.2 3,-1.7 0.963 109.8 47.0 -62.3 -53.4 -38.4 20.4 -19.1 84 84 A K H 3< S+ 0 0 169 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 115.6 48.2 -57.3 -29.4 -41.6 22.4 -18.9 85 85 A A T 3< S+ 0 0 49 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.406 130.2 17.5 -95.0 1.3 -39.6 25.5 -19.8 86 86 A T T <4 S- 0 0 30 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.2 0.546 84.3-133.8-138.2 -38.8 -37.8 23.9 -22.8 87 87 A G < + 0 0 37 -4,-3.9 -4,-0.1 -5,-0.3 -3,-0.1 0.538 53.9 149.7 85.1 8.3 -39.6 20.8 -23.9 88 88 A I - 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0 0 18 -2,-0.6 41,-0.1 41,-0.1 4,-0.1 -0.989 38.9-163.2-147.5 153.3 -18.7 8.5 -4.1 99 99 A Y S S- 0 0 76 -2,-0.3 42,-0.3 2,-0.2 47,-0.3 0.705 89.0 -0.9-104.2 -31.2 -15.0 8.3 -4.2 100 100 A I S S+ 0 0 48 1,-0.4 49,-0.5 40,-0.1 48,-0.3 0.578 117.6 3.7-122.3 -86.0 -14.3 6.6 -0.9 101 101 A D - 0 0 83 47,-0.1 -1,-0.4 46,-0.1 -2,-0.2 -0.632 64.0-110.5-111.8 167.0 -17.0 5.7 1.6 102 102 A L - 0 0 17 -2,-0.2 46,-0.0 1,-0.2 -1,-0.0 -0.583 49.1 -80.2 -90.2 155.9 -20.8 5.7 1.8 103 103 A P > - 0 0 30 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.151 50.5-103.1 -47.8 150.4 -22.8 8.0 4.0 104 104 A F G > S+ 0 0 56 1,-0.3 3,-1.8 282,-0.2 475,-0.7 0.742 117.0 75.4 -53.7 -24.4 -23.0 6.7 7.6 105 105 A Y G 3 S+ 0 0 20 1,-0.3 -1,-0.3 473,-0.2 474,-0.1 0.816 87.4 60.0 -56.4 -31.8 -26.6 5.5 6.8 106 106 A F G X S+ 0 0 7 -3,-2.4 3,-1.4 472,-0.1 -1,-0.3 0.286 72.0 137.5 -86.6 11.4 -25.1 2.6 4.8 107 107 A L T < S- 0 0 82 -3,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.392 83.8 -9.4 -59.9 128.7 -23.3 1.1 7.8 108 108 A N T 3 S+ 0 0 97 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.873 100.0 140.6 42.5 48.9 -23.7 -2.6 7.8 109 109 A R < - 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0 0 6 -3,-0.4 27,-0.1 27,-0.1 6,-0.0 -0.988 63.2-154.1-136.8 143.4 -8.5 50.1 -93.6 1149 204 D D + 0 0 75 -2,-0.4 2,-3.5 1,-0.1 3,-0.2 0.238 58.6 126.1 -94.5 11.3 -7.2 51.2 -97.0 1150 205 D N >> + 0 0 82 1,-0.2 3,-2.0 2,-0.1 4,-1.5 -0.322 37.0 178.4 -67.3 64.4 -3.6 50.6 -95.7 1151 206 D I H 3> S+ 0 0 33 -2,-3.5 4,-2.2 1,-0.3 -1,-0.2 0.793 73.2 58.4 -39.9 -42.0 -3.0 48.3 -98.7 1152 207 D D H 3> S+ 0 0 119 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.857 106.2 47.3 -62.1 -37.3 0.6 47.8 -97.6 1153 208 D Y H <> S+ 0 0 33 -3,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.861 110.9 51.1 -72.9 -36.8 -0.4 46.4 -94.2 1154 209 D I H >X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 3,-0.6 0.890 109.4 50.2 -67.3 -40.6 -3.0 44.0 -95.6 1155 210 D K H 3X S+ 0 0 30 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.848 98.4 66.6 -67.3 -35.4 -0.6 42.6 -98.1 1156 211 D K H 3< S+ 0 0 108 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 107.4 41.6 -57.8 -29.7 2.0 41.9 -95.5 1157 212 D I H X<>S+ 0 0 0 -4,-0.7 3,-1.7 -3,-0.6 5,-1.1 0.909 112.6 51.0 -82.7 -47.7 -0.3 39.3 -94.0 1158 213 D A H ><5S+ 0 0 8 -4,-1.7 3,-1.6 1,-0.3 -2,-0.2 0.867 102.3 62.3 -57.7 -38.3 -1.5 37.7 -97.2 1159 214 D D T 3<5S+ 0 0 105 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.680 100.1 55.6 -62.8 -17.1 2.1 37.3 -98.3 1160 215 D K T < 5S- 0 0 107 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.567 125.1-100.4 -92.9 -11.3 2.5 35.0 -95.3 1161 216 D G T < 5S+ 0 0 19 -3,-1.6 -21,-0.2 -4,-0.5 -3,-0.2 0.193 78.8 128.3 116.9 -15.3 -0.4 32.7 -96.3 1162 217 D S < - 0 0 0 -5,-1.1 2,-0.5 1,-0.1 -1,-0.4 -0.386 62.9-110.1 -75.1 150.7 -3.2 33.9 -94.1 1163 218 D F E -p 1141 0T 3 -23,-1.9 -21,-1.1 -26,-0.5 2,-0.4 -0.701 27.9-132.3 -82.6 123.3 -6.6 34.8 -95.5 1164 219 D I E -pq11421196T 0 31,-2.3 33,-1.8 -2,-0.5 2,-1.4 -0.629 14.5-137.8 -76.7 125.6 -7.4 38.6 -95.3 1165 220 D G E + q 01197T 0 -23,-2.6 2,-1.9 -2,-0.4 -20,-1.6 -0.635 26.5 174.3 -89.6 84.0 -10.8 39.2 -93.8 1166 221 D L E + q 01198T 3 31,-1.5 33,-0.7 -2,-1.4 2,-0.5 -0.346 36.9 136.8 -80.8 56.3 -12.3 42.0 -96.0 1167 222 D D E + q 01199T 0 -2,-1.9 -21,-0.3 31,-0.3 33,-0.3 -0.916 26.1 70.5-115.8 128.9 -15.6 41.5 -94.1 1168 223 D R > + 0 0 20 31,-3.1 3,-2.0 -2,-0.5 32,-0.3 0.433 50.7 170.2 143.2 21.4 -17.8 44.3 -92.7 1169 224 D Y T 3 + 0 0 1 30,-1.7 58,-0.2 1,-0.2 59,-0.1 -0.348 69.8 34.5 -57.6 131.2 -19.4 45.8 -95.8 1170 225 D G T 3 S+ 0 0 0 5,-0.3 2,-1.9 53,-0.1 -1,-0.2 -0.080 86.9 102.5 110.9 -31.3 -22.2 48.2 -94.7 1171 226 D L X> + 0 0 22 -3,-2.0 3,-1.8 1,-0.2 4,-1.5 -0.405 38.9 166.0 -82.3 61.3 -20.4 49.4 -91.5 1172 227 D D T 34 + 0 0 43 -2,-1.9 -1,-0.2 1,-0.3 48,-0.2 0.683 62.1 85.8 -50.5 -15.9 -19.3 52.7 -93.1 1173 228 D L T 34 S+ 0 0 83 46,-0.4 -1,-0.3 1,-0.2 47,-0.1 0.933 102.4 25.7 -51.2 -51.8 -18.6 53.5 -89.4 1174 229 D F T <4 S- 0 0 85 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 148.1 -12.9 -81.2 -35.5 -15.2 51.9 -89.7 1175 230 D L S < S- 0 0 16 -4,-1.5 -1,-0.3 -7,-0.2 -5,-0.3 -0.812 72.3-114.9-170.8 126.6 -14.9 52.5 -93.4 1176 231 D P > - 0 0 46 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.174 30.1-114.7 -62.4 155.5 -17.4 53.5 -96.2 1177 232 D V H >> S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.945 112.5 57.5 -56.2 -54.6 -18.3 51.1 -99.0 1178 233 D D H 3> S+ 0 0 115 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.836 111.8 42.8 -46.9 -39.8 -16.8 53.2 -101.8 1179 234 D K H 3> S+ 0 0 69 -3,-0.4 4,-1.1 2,-0.2 -1,-0.3 0.790 113.7 51.9 -81.0 -29.2 -13.4 53.1 -100.0 1180 235 D R H XX S+ 0 0 4 -4,-1.7 4,-2.3 -3,-0.5 3,-1.1 0.977 110.1 46.6 -67.7 -58.2 -13.7 49.4 -99.1 1181 236 D N H 3X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.3 5,-0.3 0.860 107.2 61.7 -49.1 -37.5 -14.5 48.3 -102.7 1182 237 D E H 3X S+ 0 0 120 -4,-1.1 4,-1.3 -5,-0.4 -1,-0.3 0.879 108.6 41.2 -57.9 -40.0 -11.6 50.6 -103.7 1183 238 D T H <>S+ 0 0 1 -4,-2.3 5,-2.0 1,-0.2 3,-1.5 0.878 110.2 55.4 -69.2 -39.4 -5.9 43.6 -104.1 1188 243 D I H ><5S+ 0 0 15 -4,-3.2 3,-1.0 1,-0.3 5,-0.4 0.880 106.9 50.4 -60.9 -39.0 -7.9 41.5 -106.6 1189 244 D K T 3<5S+ 0 0 125 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.385 104.1 62.8 -80.4 4.5 -5.9 43.0 -109.5 1190 245 D D T < 5S- 0 0 60 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.033 118.7-104.7-116.3 24.0 -2.8 42.1 -107.6 1191 246 D G T < 5S+ 0 0 60 -3,-1.0 3,-0.5 1,-0.1 -3,-0.2 0.676 88.7 122.1 63.7 18.6 -3.3 38.3 -107.6 1192 247 D Y > < + 0 0 42 -5,-2.0 3,-1.7 1,-0.2 -4,-0.2 0.288 37.8 103.3 -91.4 9.5 -4.4 38.4 -104.0 1193 248 D S G > S+ 0 0 21 -5,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.856 70.4 62.6 -59.7 -37.5 -7.7 36.9 -104.9 1194 249 D D G 3 S+ 0 0 80 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.467 109.6 42.4 -70.7 0.4 -6.7 33.4 -103.6 1195 250 D K G < S+ 0 0 45 -3,-1.7 -31,-2.3 -32,-0.1 2,-0.4 -0.073 94.0 101.3-136.7 34.3 -6.3 34.9 -100.1 1196 251 D I E < -q 1164 0T 1 -3,-1.5 2,-0.4 -33,-0.2 -31,-0.2 -0.970 40.2-178.7-126.7 137.7 -9.4 37.2 -99.9 1197 252 D M E -q 1165 0T 2 -33,-1.8 -31,-1.5 -2,-0.4 2,-0.4 -0.999 9.0-160.8-135.6 134.7 -12.7 36.6 -98.1 1198 253 D I E +q 1166 0T 3 -2,-0.4 -232,-0.7 51,-0.2 2,-0.3 -0.897 21.0 142.6-119.8 143.8 -15.7 39.0 -98.0 1199 254 D S E -q 1167 0T 0 -33,-0.7 -31,-3.1 -2,-0.4 -30,-1.7 -0.957 48.5-118.9-163.1 176.4 -18.7 39.3 -95.7 1200 255 D H - 0 0 0 -233,-0.3 -29,-0.2 -2,-0.3 -232,-0.2 0.721 26.3-146.0 -97.0 -26.2 -21.0 41.7 -93.9 1201 256 D D + 0 0 10 -234,-2.0 2,-0.3 1,-0.2 -233,-0.2 0.889 43.0 171.6 54.0 38.0 -20.3 40.9 -90.3 1202 257 D Y - 0 0 39 -235,-0.4 -233,-2.5 22,-0.1 2,-0.6 -0.621 29.0-153.0 -87.2 136.4 -24.0 41.7 -90.0 1203 258 D C B > -k 969 0S 11 -2,-0.3 3,-1.1 -235,-0.1 -233,-0.2 -0.924 9.0-155.2-111.4 111.0 -25.9 41.1 -86.8 1204 259 D C T 3 S+ 0 0 8 -235,-1.7 -233,-0.2 -2,-0.6 -234,-0.1 0.654 102.2 16.8 -56.1 -13.1 -29.7 40.6 -87.2 1205 260 D T T 3 S- 0 0 30 -236,-0.2 -233,-1.0 -212,-0.1 -1,-0.3 -0.356 86.3-170.0-158.8 68.0 -29.8 41.8 -83.6 1206 261 D I < - 0 0 33 -3,-1.1 -233,-0.1 -235,-0.2 -4,-0.0 -0.288 10.8-175.8 -64.9 146.6 -26.6 43.6 -82.7 1207 262 D D + 0 0 18 -190,-0.1 -1,-0.1 -234,-0.0 4,-0.1 0.651 40.9 120.5-114.7 -28.7 -26.1 44.5 -79.0 1208 263 D L S > S- 0 0 48 1,-0.2 3,-1.5 2,-0.1 -473,-0.2 0.025 76.5-114.7 -39.0 143.3 -22.9 46.5 -79.1 1209 264 D G T 3 S+ 0 0 5 -475,-1.3 -1,-0.2 1,-0.3 3,-0.1 0.164 102.4 89.7 -71.6 22.5 -23.2 50.0 -77.8 1210 265 D T T 3 S+ 0 0 58 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.576 76.1 65.4 -93.6 -12.9 -22.4 51.2 -81.3 1211 266 D A S < S- 0 0 27 -3,-1.5 -1,-0.2 -4,-0.1 5,-0.2 -0.848 72.8-165.8-116.3 95.5 -26.0 51.2 -82.4 1212 267 D K - 0 0 67 3,-0.7 -2,-0.0 -2,-0.6 -473,-0.0 -0.220 31.9-111.1 -73.1 166.9 -28.1 53.8 -80.6 1213 268 D P S S+ 0 0 113 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.863 118.8 27.5 -65.9 -39.1 -31.9 53.9 -80.6 1214 269 D E S S+ 0 0 112 1,-0.2 2,-0.2 2,-0.1 -2,-0.0 0.373 117.2 63.3-105.8 1.4 -32.1 57.1 -82.7 1215 270 D Y + 0 0 105 1,-0.1 -3,-0.7 3,-0.1 -1,-0.2 -0.514 67.3 103.3-124.4 64.1 -28.8 56.6 -84.5 1216 271 D K S > S+ 0 0 94 -3,-0.2 4,-0.6 -2,-0.2 2,-0.2 0.793 79.6 45.0-107.7 -48.4 -29.3 53.4 -86.5 1217 272 D P T 4 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.169 114.0 53.0 -90.4 39.4 -29.9 54.5 -90.1 1218 273 D K T 4 S+ 0 0 138 -2,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.517 97.6 54.7-138.8 -36.4 -26.9 57.0 -89.9 1219 274 D L T 4 S+ 0 0 62 1,-0.3 -46,-0.4 -4,-0.2 -3,-0.1 0.686 126.9 16.1 -79.6 -19.4 -23.8 55.1 -88.8 1220 275 D A S < S- 0 0 13 -4,-0.6 3,-0.4 1,-0.2 -1,-0.3 -0.599 70.5-160.7-157.9 89.0 -24.2 52.6 -91.6 1221 276 D P S S+ 0 0 84 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.852 83.6 8.8 -33.4 -90.9 -26.4 53.4 -94.5 1222 277 D R S S+ 0 0 141 1,-0.0 2,-0.3 2,-0.0 -51,-0.0 -0.840 74.9 154.9-104.0 100.2 -27.1 49.9 -96.0 1223 278 D W + 0 0 24 -2,-0.8 2,-0.1 -3,-0.4 -53,-0.1 -0.646 22.9 128.3-127.2 74.7 -25.7 47.2 -93.8 1224 279 D S S S- 0 0 21 -2,-0.3 3,-0.2 -22,-0.1 4,-0.2 -0.368 71.1 -99.5-111.2-167.2 -27.6 44.0 -94.3 1225 280 D I S S+ 0 0 5 1,-0.2 -25,-0.1 -2,-0.1 -24,-0.1 0.403 122.2 44.7 -96.9 0.5 -26.6 40.4 -95.1 1226 281 D T S >> S+ 0 0 0 2,-0.1 4,-0.9 -26,-0.1 3,-0.8 0.186 79.3 106.5-125.1 11.8 -27.3 40.8 -98.8 1227 282 D L H >> S+ 0 0 1 1,-0.3 3,-1.7 -3,-0.2 4,-1.2 0.942 76.8 54.8 -56.6 -51.9 -25.6 44.2 -99.2 1228 283 D I H 34>S+ 0 0 0 1,-0.3 5,-3.4 -4,-0.2 -1,-0.3 0.726 104.5 57.9 -57.1 -21.5 -22.6 42.7 -101.1 1229 284 D F H <45S+ 0 0 24 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.767 112.3 37.9 -78.6 -27.0 -25.1 41.2 -103.5 1230 285 D E H <<5S+ 0 0 100 -3,-1.7 -2,-0.2 -4,-0.9 -1,-0.2 0.452 138.9 3.2-105.0 -3.9 -26.6 44.6 -104.4 1231 286 D D T X5S+ 0 0 37 -4,-1.2 4,-3.1 -5,-0.1 5,-0.3 0.385 122.4 48.8-140.6 -75.3 -23.4 46.6 -104.4 1232 287 D T H >5S+ 0 0 0 -5,-0.3 4,-1.6 2,-0.2 -3,-0.2 0.886 116.8 42.8 -44.9 -55.1 -20.0 45.0 -103.8 1233 288 D I H >4 S+ 0 0 53 0, 0.0 4,-1.1 0, 0.0 -2,-0.2 0.913 109.5 58.2 -46.2 -51.1 -22.1 44.2 -109.2 1235 290 D F H 3< S+ 0 0 50 -4,-3.1 -2,-0.2 2,-0.1 2,-0.2 0.880 100.4 70.8 -46.0 -42.0 -19.5 46.9 -108.6 1236 291 D L T << S+ 0 0 3 -4,-1.6 2,-0.4 -3,-1.0 4,-0.1 -0.555 96.7 33.2 -76.0 145.2 -17.0 44.1 -109.3 1237 292 D K T >> S+ 0 0 148 -2,-0.2 3,-1.2 5,-0.0 4,-0.5 -0.403 106.9 70.5 99.9 -53.9 -16.9 42.9 -112.9 1238 293 D R T 3< S+ 0 0 160 -4,-1.1 -2,-0.2 -2,-0.4 -3,-0.1 0.568 102.4 50.2 -66.2 -7.4 -17.7 46.4 -114.1 1239 294 D N T 34 S- 0 0 41 -4,-0.2 -1,-0.3 2,-0.1 -3,-0.1 -0.231 135.1 -76.8-126.4 42.8 -14.1 47.0 -112.9 1240 295 D G T <4 S+ 0 0 58 -3,-1.2 2,-0.2 1,-0.1 -2,-0.1 0.997 87.6 123.9 62.6 76.3 -12.2 44.1 -114.6 1241 296 D V < - 0 0 10 -4,-0.5 -2,-0.1 -5,-0.0 -1,-0.1 -0.606 44.1-149.9-166.8 99.2 -13.0 41.0 -112.6 1242 297 D N >> - 0 0 82 -2,-0.2 3,-1.1 1,-0.1 4,-0.8 -0.005 33.6-102.4 -65.8 174.0 -14.5 37.9 -114.2 1243 298 D E H 3> S+ 0 0 146 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.664 116.1 74.0 -74.9 -16.6 -16.8 35.4 -112.4 1244 299 D E H 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.269 99.6 49.1 -76.9 12.8 -13.9 33.0 -112.0 1245 300 D V H <> S+ 0 0 21 -3,-1.1 4,-1.4 -4,-0.1 -2,-0.2 0.655 107.9 47.1-117.7 -37.7 -12.8 35.4 -109.4 1246 301 D I H X S+ 0 0 25 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.798 111.3 53.5 -76.2 -30.0 -15.9 35.9 -107.3 1247 302 D A H X>S+ 0 0 29 -4,-1.7 5,-2.0 2,-0.2 4,-0.9 0.832 106.4 54.2 -70.2 -33.0 -16.4 32.1 -107.2 1248 303 D T H 4>S+ 0 0 38 3,-0.2 5,-4.3 -5,-0.2 -2,-0.2 0.903 114.0 40.2 -65.1 -42.5 -12.9 31.8 -105.9 1249 304 D I H <5S+ 0 0 4 -4,-1.4 -2,-0.2 3,-0.2 -51,-0.2 0.894 125.3 33.9 -75.9 -42.7 -13.6 34.2 -103.0 1250 305 D F H <5S+ 0 0 2 -4,-2.4 -286,-2.4 3,-0.1 -1,-0.2 0.386 139.8 12.6 -97.1 2.8 -17.1 33.0 -102.1 1251 306 D K T X5S+ 0 0 90 -4,-0.9 4,-1.7 -288,-0.2 -3,-0.2 0.504 126.2 42.8-139.5 -57.8 -16.5 29.4 -102.9 1252 307 D E H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.870 111.2 56.7 -62.8 -36.6 -13.8 29.0 -98.0 1255 310 D K H X S+ 0 0 67 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.935 112.7 38.8 -59.6 -49.7 -13.4 25.5 -99.5 1256 311 D K H < S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.864 110.6 62.0 -68.2 -36.8 -9.6 25.5 -99.0 1257 312 D F H < S+ 0 0 1 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.865 111.8 35.1 -59.6 -40.5 -10.0 27.2 -95.6 1258 313 D F H < 0 0 6 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.845 360.0 360.0 -85.3 -36.7 -12.0 24.4 -94.0 1259 314 D S < 0 0 79 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.148 360.0 360.0 -84.6 360.0 -10.3 21.5 -95.7