==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JAN-13 4INF . COMPND 2 MOLECULE: METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 1396 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 992 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 53 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 560 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 52 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 8 2 6 4 9 3 4 8 4 10 1 2 2 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 12 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 0 241 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.2 2.8 10.9 125.1 2 2 A T - 0 0 84 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.907 360.0-152.3-122.1 148.7 2.7 8.0 122.6 3 3 A Q + 0 0 121 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 0.560 67.4 117.5 -83.8 -12.1 4.3 4.6 122.6 4 4 A D - 0 0 92 1,-0.0 2,-0.5 321,-0.0 -2,-0.1 -0.340 41.9-177.1 -58.7 124.6 4.0 4.8 118.7 5 5 A L - 0 0 14 74,-0.2 76,-0.7 73,-0.1 2,-0.4 -0.949 19.2-172.4-121.4 109.5 7.4 4.8 117.0 6 6 A K - 0 0 98 -2,-0.5 3,-0.4 74,-0.2 5,-0.2 -0.795 21.8-135.3-111.7 140.3 6.6 5.3 113.3 7 7 A T S S+ 0 0 52 -2,-0.4 3,-0.2 71,-0.2 75,-0.1 -0.390 76.5 70.6 -69.4 166.6 8.6 5.1 110.1 8 8 A G S S- 0 0 56 1,-0.1 -1,-0.2 73,-0.1 6,-0.1 0.317 102.1 -97.2 106.7 -9.1 8.1 7.9 107.5 9 9 A G S > S+ 0 0 21 -3,-0.4 3,-2.0 4,-0.2 -1,-0.1 0.637 72.2 142.1 81.5 16.1 9.6 10.9 109.2 10 10 A E T 3 + 0 0 159 1,-0.3 4,-0.1 -3,-0.2 -1,-0.1 0.738 66.3 68.3 -64.7 -21.3 6.5 12.6 110.6 11 11 A Q T 3 S- 0 0 110 2,-0.4 -1,-0.3 -5,-0.2 3,-0.1 0.605 129.1 -93.9 -64.8 -18.2 8.6 13.6 113.8 12 12 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.376 101.9 53.5 112.7 1.0 10.5 16.0 111.4 13 13 A Y S S- 0 0 11 -4,-0.1 -2,-0.4 328,-0.1 2,-0.3 -0.980 78.8-115.6-156.3 148.9 13.4 13.6 110.6 14 14 A L - 0 0 43 -2,-0.3 2,-0.7 324,-0.1 68,-0.1 -0.639 33.5-125.8 -74.1 151.2 14.0 10.1 109.3 15 15 A R - 0 0 3 66,-0.4 69,-1.8 -2,-0.3 68,-1.6 -0.905 29.5-175.2-100.7 110.0 15.7 7.8 111.9 16 16 A I E -a 84 0A 1 325,-2.4 2,-0.6 -2,-0.7 69,-0.2 -0.945 12.9-152.4-110.0 114.1 18.8 6.5 110.2 17 17 A A E -a 85 0A 0 67,-2.9 69,-2.7 -2,-0.6 3,-0.3 -0.800 9.8-169.2 -93.0 117.0 20.6 3.9 112.4 18 18 A T E + 0 0 2 293,-1.3 294,-0.2 -2,-0.6 -1,-0.1 0.291 69.6 46.9-101.9 8.7 24.3 4.0 111.6 19 19 A E E S+ 0 0 4 2,-0.0 2,-0.3 169,-0.0 -1,-0.2 -0.420 70.3 150.5-146.0 69.6 25.9 0.9 113.4 20 20 A E E -a 87 0A 6 66,-2.4 68,-1.7 -3,-0.3 2,-0.3 -0.809 28.7-145.2-114.3 142.0 23.7 -2.1 112.7 21 21 A A E +a 88 0A 5 294,-2.8 2,-0.3 -2,-0.3 68,-0.2 -0.781 18.4 174.1-116.4 148.2 24.9 -5.7 112.5 22 22 A F E -a 89 0A 1 66,-1.6 68,-2.8 -2,-0.3 2,-0.3 -0.924 13.5-152.6-136.7 167.9 24.2 -8.9 110.6 23 23 A A - 0 0 3 43,-2.3 2,-0.4 -2,-0.3 3,-0.1 -0.907 10.6-135.7-131.4 162.0 25.8 -12.3 110.5 24 24 A T > - 0 0 16 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.962 19.2-133.0-114.2 144.4 26.1 -15.2 108.0 25 25 A R H > S+ 0 0 103 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.900 104.9 55.5 -62.1 -41.8 25.6 -18.7 109.3 26 26 A E H > S+ 0 0 60 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.831 108.6 47.8 -64.0 -30.8 28.7 -20.0 107.5 27 27 A I H > S+ 0 0 2 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.924 110.7 49.7 -76.4 -42.1 31.0 -17.4 109.2 28 28 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.903 107.9 56.8 -58.9 -37.9 29.5 -18.2 112.7 29 29 A D H X S+ 0 0 74 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.877 103.0 53.3 -60.1 -37.4 30.2 -21.8 111.8 30 30 A V H X S+ 0 0 8 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.919 106.2 52.7 -63.4 -41.8 33.8 -21.0 111.2 31 31 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.945 110.3 48.0 -59.1 -43.6 34.0 -19.4 114.7 32 32 A L H X S+ 0 0 23 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.913 110.6 51.8 -62.6 -41.3 32.6 -22.6 116.2 33 33 A R H X S+ 0 0 87 -4,-2.4 4,-2.4 2,-0.2 6,-0.2 0.913 110.8 47.6 -57.9 -46.3 35.1 -24.6 114.3 34 34 A M H X>S+ 0 0 4 -4,-2.7 6,-1.9 2,-0.2 5,-1.5 0.869 111.6 50.5 -66.1 -37.3 38.0 -22.5 115.6 35 35 A I H ><5S+ 0 0 42 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.950 112.8 47.1 -62.8 -47.3 36.7 -22.8 119.1 36 36 A R H 3<5S+ 0 0 188 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 116.6 42.5 -61.9 -40.7 36.4 -26.6 118.8 37 37 A D H 3<5S- 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.473 111.0-115.7 -92.5 1.1 39.9 -27.0 117.3 38 38 A G T <<5S+ 0 0 65 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.611 86.8 110.1 78.4 16.0 41.7 -24.6 119.6 39 39 A T < + 0 0 65 -5,-1.5 -4,-0.2 -6,-0.2 2,-0.2 0.549 50.3 102.6 -97.0 -8.0 42.7 -22.0 117.0 40 40 A A S S- 0 0 15 -6,-1.9 57,-0.0 -7,-0.1 -9,-0.0 -0.504 74.2-124.7 -69.7 138.6 40.2 -19.4 118.3 41 41 A D > - 0 0 34 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.234 32.1 -96.3 -75.8 173.6 41.8 -16.6 120.3 42 42 A K H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 124.3 54.7 -62.1 -36.8 40.6 -15.9 123.9 43 43 A G H > S+ 0 0 0 149,-0.3 4,-3.2 2,-0.2 5,-0.3 0.898 109.0 46.8 -59.8 -46.2 38.3 -13.1 122.6 44 44 A M H >>S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-1.3 0.928 111.6 51.1 -64.3 -43.6 36.6 -15.3 120.1 45 45 A V H X5S+ 0 0 71 -4,-2.2 4,-0.8 3,-0.2 5,-0.3 0.937 117.5 40.7 -54.6 -49.0 36.1 -18.1 122.8 46 46 A S H X5S+ 0 0 20 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.950 124.4 34.4 -66.2 -50.3 34.6 -15.5 125.1 47 47 A L H X5S+ 0 0 9 -4,-3.2 4,-2.7 -5,-0.2 -3,-0.2 0.948 129.6 29.3 -74.1 -53.5 32.5 -13.5 122.6 48 48 A W H X5S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 5,-0.4 0.792 113.1 61.5 -88.9 -26.6 31.3 -16.2 120.2 49 49 A G H X S- 0 0 17 557,-0.2 4,-2.5 -6,-0.2 5,-0.2 -0.274 71.1-123.6 -58.4 144.6 20.5 -17.1 127.7 57 57 A E H > S+ 0 0 171 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.909 111.5 51.8 -50.3 -47.2 17.4 -15.2 126.4 58 58 A R H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.948 112.5 42.0 -62.7 -51.1 19.7 -12.3 125.3 59 59 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 113.4 51.8 -63.2 -43.2 22.2 -14.4 123.3 60 60 A T H X S+ 0 0 56 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.904 112.1 44.7 -65.1 -40.4 19.6 -16.6 121.6 61 61 A Q H X S+ 0 0 60 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.875 111.1 55.4 -69.2 -37.6 17.5 -13.7 120.3 62 62 A I H X S+ 0 0 5 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.932 107.1 49.0 -59.1 -48.2 20.6 -11.8 119.2 63 63 A L H X S+ 0 0 24 -4,-2.4 4,-1.8 -12,-0.3 -2,-0.2 0.935 111.2 49.6 -62.4 -45.5 21.8 -14.7 117.0 64 64 A E H X S+ 0 0 99 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.935 114.1 44.9 -57.5 -46.1 18.3 -15.1 115.4 65 65 A R H >< S+ 0 0 48 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.892 109.0 56.8 -69.2 -37.3 18.1 -11.4 114.6 66 66 A L H 3< S+ 0 0 0 -4,-2.8 -43,-2.3 1,-0.2 -1,-0.2 0.892 105.7 51.3 -57.7 -40.6 21.7 -11.2 113.3 67 67 A L H 3< S+ 0 0 59 -4,-1.8 2,-0.5 -45,-0.2 -1,-0.2 0.659 92.2 90.9 -75.1 -17.5 21.0 -13.9 110.8 68 68 A D << + 0 0 48 -4,-0.8 -45,-0.0 -3,-0.7 -44,-0.0 -0.715 36.6 165.1 -85.9 127.1 17.9 -12.2 109.3 69 69 A L + 0 0 30 -2,-0.5 2,-0.1 -47,-0.1 -1,-0.1 -0.209 66.0 44.6-121.6 35.7 18.3 -9.8 106.3 70 70 A G S > S- 0 0 14 50,-0.0 4,-2.5 51,-0.0 3,-0.2 -0.313 109.7 -12.6-145.5-134.7 14.7 -9.8 105.4 71 71 A E H > S+ 0 0 157 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.769 125.2 50.8 -59.8 -34.6 11.1 -9.5 106.7 72 72 A R H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 111.9 47.3 -70.0 -43.9 11.9 -10.0 110.4 73 73 A R H > S+ 0 0 1 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.932 113.2 49.6 -61.7 -43.7 14.6 -7.4 110.4 74 74 A I H X S+ 0 0 19 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.936 109.8 50.5 -61.0 -45.4 12.3 -5.0 108.6 75 75 A A H X S+ 0 0 49 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.887 109.5 51.6 -57.7 -39.3 9.5 -5.7 111.1 76 76 A D H X S+ 0 0 20 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.886 112.4 46.0 -67.2 -37.6 11.9 -4.9 113.9 77 77 A M H ><>S+ 0 0 8 -4,-2.3 5,-2.6 2,-0.2 3,-1.2 0.941 112.1 50.5 -64.0 -49.9 12.8 -1.6 112.3 78 78 A D H ><5S+ 0 0 65 -4,-3.2 3,-1.1 1,-0.3 -71,-0.2 0.884 106.0 56.5 -55.7 -41.3 9.2 -0.7 111.6 79 79 A A H 3<5S+ 0 0 64 -4,-2.3 -1,-0.3 1,-0.2 -74,-0.2 0.685 115.1 37.8 -69.2 -17.6 8.3 -1.5 115.3 80 80 A T T <<5S- 0 0 2 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.191 113.9-111.2-117.6 15.0 11.0 1.1 116.5 81 81 A G T < 5 + 0 0 0 -3,-1.1 2,-0.7 -76,-0.7 -66,-0.4 0.758 60.4 157.3 66.5 25.9 10.5 3.7 113.8 82 82 A I < - 0 0 3 -5,-2.6 -1,-0.2 1,-0.2 -66,-0.1 -0.753 20.4-175.6 -89.2 113.8 13.8 3.1 112.1 83 83 A D + 0 0 14 -68,-1.6 2,-0.3 -2,-0.7 -67,-0.2 0.889 66.8 12.9 -74.0 -45.1 13.7 4.2 108.5 84 84 A K E -a 16 0A 30 -69,-1.8 -67,-2.9 -7,-0.1 2,-0.4 -0.990 61.0-159.0-136.7 147.1 17.1 3.1 107.4 85 85 A A E -ab 17 125A 3 39,-2.6 41,-2.3 -2,-0.3 2,-0.7 -0.994 13.2-144.6-125.8 132.2 19.8 0.9 108.8 86 86 A I E - b 0 126A 4 -69,-2.7 -66,-2.4 -2,-0.4 2,-0.3 -0.879 32.1-154.5 -95.0 114.8 23.5 0.9 107.8 87 87 A L E +ab 20 127A 0 39,-3.1 41,-2.3 -2,-0.7 2,-0.3 -0.730 21.4 170.6-104.6 142.0 24.5 -2.7 107.9 88 88 A A E -a 21 0A 4 -68,-1.7 -66,-1.6 -2,-0.3 41,-0.1 -0.995 43.4 -94.0-149.0 143.0 27.9 -4.4 108.5 89 89 A L E -a 22 0A 4 39,-0.4 -66,-0.2 -2,-0.3 -68,-0.0 -0.323 58.7 -99.6 -55.8 133.9 29.0 -8.0 109.1 90 90 A T > - 0 0 4 -68,-2.8 3,-2.0 1,-0.1 -1,-0.1 -0.202 59.4 -55.8 -70.2 145.1 29.2 -8.5 112.8 91 91 A S T 3 S+ 0 0 4 1,-0.3 -1,-0.1 -3,-0.1 99,-0.1 -0.327 119.8 21.7 -57.3 139.4 32.6 -8.3 114.6 92 92 A P T > S+ 0 0 12 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.934 81.3 179.1 -95.2 17.4 35.2 -9.8 114.2 93 93 A G T < - 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0 0 8 66,-0.4 68,-1.9 -2,-0.2 69,-1.7 -0.911 30.2-175.2-100.0 108.2 43.1 25.7 146.8 366 16 B I E -i 434 0D 1 325,-2.5 2,-0.6 -2,-0.8 69,-0.2 -0.930 12.5-152.8-105.7 116.6 43.6 22.1 148.1 367 17 B A E -i 435 0D 0 67,-2.9 69,-2.8 -2,-0.6 3,-0.3 -0.789 9.6-170.5 -96.0 120.4 45.4 19.9 145.6 368 18 B T E + 0 0 3 293,-1.4 294,-0.2 -2,-0.6 -1,-0.1 0.305 69.5 48.3-104.3 7.6 44.4 16.3 146.1 369 19 B E E S+ 0 0 4 2,-0.0 2,-0.4 269,-0.0 -1,-0.2 -0.424 70.6 151.0-142.1 69.0 46.7 14.2 143.9 370 20 B E E -i 437 0D 7 66,-2.3 68,-2.0 -3,-0.3 2,-0.3 -0.834 28.7-144.3-113.7 138.4 50.3 15.4 144.5 371 21 B A E +i 438 0D 6 294,-3.1 2,-0.3 -2,-0.4 68,-0.2 -0.710 19.3 171.2-110.6 148.1 53.4 13.2 144.2 372 22 B F E -i 439 0D 1 66,-1.5 68,-2.8 -2,-0.3 2,-0.3 -0.944 13.9-152.9-138.5 167.4 56.8 12.8 145.8 373 23 B A - 0 0 4 43,-2.2 2,-0.4 -2,-0.3 3,-0.1 -0.889 11.6-133.7-131.4 162.8 59.6 10.2 145.5 374 24 B T > - 0 0 14 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.965 18.9-134.1-114.5 139.3 62.4 8.9 147.7 375 25 B R H > S+ 0 0 97 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.895 104.7 54.9 -57.7 -40.4 65.8 8.6 146.2 376 26 B E H > S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.853 109.3 46.9 -67.6 -30.2 66.3 5.0 147.5 377 27 B I H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.912 110.7 50.8 -76.6 -42.3 63.1 3.8 145.9 378 28 B I H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.914 107.8 55.4 -55.9 -40.1 64.0 5.4 142.6 379 29 B D H X S+ 0 0 74 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.863 103.8 54.1 -61.2 -35.6 67.4 3.6 142.9 380 30 B V H X S+ 0 0 6 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.925 106.4 51.9 -63.6 -42.0 65.5 0.3 143.3 381 31 B Y H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.935 110.4 47.9 -60.2 -44.0 63.7 1.0 140.0 382 32 B L H X S+ 0 0 15 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.901 110.9 51.8 -63.2 -38.0 67.1 1.6 138.3 383 33 B R H X S+ 0 0 103 -4,-2.4 4,-2.6 1,-0.2 6,-0.2 0.915 110.2 48.4 -62.6 -44.1 68.5 -1.6 139.8 384 34 B M H X>S+ 0 0 3 -4,-2.6 6,-1.9 2,-0.2 5,-1.5 0.864 111.5 49.1 -66.5 -40.0 65.5 -3.6 138.5 385 35 B I H ><5S+ 0 0 39 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.945 113.2 48.6 -61.5 -46.2 65.9 -2.0 135.0 386 36 B R H 3<5S+ 0 0 178 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.4 41.1 -62.4 -39.0 69.6 -2.8 135.1 387 37 B D H 3<5S- 0 0 91 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.467 111.3-114.6 -92.7 -2.0 69.2 -6.4 136.2 388 38 B G T <<5S+ 0 0 62 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.630 87.4 110.3 82.6 14.4 66.2 -7.2 134.0 389 39 B T < + 0 0 61 -5,-1.5 2,-0.2 -6,-0.2 -4,-0.2 0.544 49.6 103.1 -95.8 -9.1 63.6 -7.7 136.8 390 40 B A S S- 0 0 15 -6,-1.9 57,-0.0 -7,-0.1 -9,-0.0 -0.503 74.7-123.6 -66.8 138.0 61.7 -4.5 136.0 391 41 B D > - 0 0 35 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.246 32.0 -96.5 -73.6 172.3 58.5 -5.1 134.1 392 42 B K H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 125.2 53.3 -60.6 -35.9 57.9 -3.5 130.7 393 43 B G H > S+ 0 0 0 149,-0.3 4,-3.1 2,-0.2 5,-0.4 0.905 108.7 48.1 -66.7 -40.7 55.9 -0.6 132.3 394 44 B M H >>S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-1.3 0.923 111.6 50.7 -65.8 -42.0 58.7 0.1 134.8 395 45 B V H X5S+ 0 0 71 -4,-2.4 4,-0.8 3,-0.2 5,-0.3 0.947 116.9 41.3 -57.4 -46.8 61.3 0.1 132.0 396 46 B S H X5S+ 0 0 19 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.942 124.3 34.0 -65.5 -51.7 59.1 2.5 130.0 397 47 B L H X5S+ 0 0 9 -4,-3.1 4,-2.7 -5,-0.2 -3,-0.2 0.948 129.2 30.3 -73.5 -54.3 58.0 4.8 132.8 398 48 B W H X5S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.4 5,-0.3 0.800 111.7 63.2 -88.3 -26.3 61.0 4.9 135.1 399 49 B G H XX S+ 0 0 17 -4,-0.8 4,-2.7 -5,-0.3 3,-0.6 0.980 119.8 39.0 -75.0 -61.6 62.1 7.8 131.1 401 51 B Y H 3< S+ 0 0 12 -4,-2.7 12,-0.3 1,-0.2 -3,-0.2 0.859 122.1 41.8 -64.4 -33.6 61.6 9.8 134.4 402 52 B A H 3< S+ 0 0 17 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.642 131.4 19.3 -87.5 -14.2 64.8 8.6 136.1 403 53 B Q H << S+ 0 0 112 -3,-0.6 -3,-0.2 -4,-0.6 -2,-0.2 0.613 86.3 109.5-132.2 -27.0 67.2 8.8 133.1 404 54 B S < - 0 0 21 -4,-2.7 -4,-0.0 -5,-0.3 -139,-0.0 -0.359 53.8-149.9 -58.1 134.0 65.8 11.0 130.3 405 55 B P + 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.423 57.9 125.4 -83.1 3.3 67.8 14.3 129.9 406 56 B S S > S- 0 0 20 -143,-0.2 4,-2.5 -6,-0.1 5,-0.3 -0.250 72.6-120.6 -57.4 150.1 64.6 16.0 128.6 407 57 B E H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.908 112.0 52.7 -60.0 -41.6 63.6 19.1 130.5 408 58 B R H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 113.9 41.0 -61.9 -48.2 60.2 17.6 131.4 409 59 B A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.912 114.9 50.0 -67.7 -40.9 61.7 14.5 132.9 410 60 B T H X S+ 0 0 44 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.904 112.9 46.1 -69.0 -39.3 64.6 16.2 134.7 411 61 B Q H X S+ 0 0 39 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.879 111.0 53.2 -70.4 -38.1 62.4 18.8 136.4 412 62 B I H X S+ 0 0 6 -4,-2.0 4,-3.0 -5,-0.3 -2,-0.2 0.940 109.8 47.7 -59.6 -47.9 59.8 16.1 137.4 413 63 B L H X S+ 0 0 26 -4,-2.4 4,-1.8 -12,-0.3 -2,-0.2 0.936 113.2 47.7 -61.6 -45.9 62.5 14.1 139.1 414 64 B E H X S+ 0 0 95 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.942 116.1 44.3 -58.2 -48.8 64.0 17.2 141.0 415 65 B R H >< S+ 0 0 48 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.904 109.1 56.0 -66.8 -39.9 60.5 18.3 142.1 416 66 B L H 3< S+ 0 0 0 -4,-3.0 -43,-2.2 1,-0.2 -1,-0.2 0.897 107.0 51.1 -55.5 -40.8 59.5 14.7 143.1 417 67 B L H 3< S+ 0 0 57 -4,-1.8 2,-0.4 -45,-0.2 -1,-0.2 0.684 92.8 90.0 -76.6 -17.3 62.5 14.4 145.5 418 68 B D << + 0 0 49 -4,-0.9 -45,-0.0 -3,-0.8 -44,-0.0 -0.690 36.6 164.7 -88.2 128.3 61.8 17.7 147.2 419 69 B L + 0 0 33 -2,-0.4 2,-0.1 -47,-0.1 -1,-0.1 -0.173 66.5 43.8-125.0 34.0 59.7 17.8 150.4 420 70 B G S > S- 0 0 17 50,-0.0 4,-2.6 51,-0.0 5,-0.2 -0.280 109.9 -10.7-143.3-135.0 60.7 21.2 151.6 421 71 B E H > S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.784 126.3 49.7 -50.7 -43.1 61.5 24.8 150.5 422 72 B R H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 112.1 47.5 -68.7 -45.0 61.4 24.2 146.8 423 73 B R H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.936 113.4 48.9 -58.1 -48.8 58.1 22.3 146.9 424 74 B I H X S+ 0 0 17 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.898 109.8 52.2 -60.2 -42.1 56.6 25.1 149.1 425 75 B A H X S+ 0 0 51 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.914 109.2 49.6 -60.4 -39.6 57.9 27.7 146.7 426 76 B D H X S+ 0 0 21 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.871 113.5 46.5 -68.2 -37.9 56.2 25.9 143.7 427 77 B M H ><>S+ 0 0 9 -4,-2.4 5,-2.5 2,-0.2 3,-1.1 0.940 112.2 49.4 -65.1 -48.5 53.0 25.8 145.7 428 78 B D H ><5S+ 0 0 66 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.900 106.7 57.2 -57.1 -40.9 53.2 29.4 146.7 429 79 B A H 3<5S+ 0 0 61 -4,-2.4 -74,-0.4 1,-0.3 -1,-0.3 0.697 115.4 36.2 -66.5 -21.4 53.9 30.4 143.1 430 80 B T T <<5S- 0 0 3 -3,-1.1 -1,-0.3 -4,-0.6 -74,-0.2 0.223 113.6-112.0-117.5 14.0 50.6 28.8 142.0 431 81 B G T < 5 + 0 0 0 -3,-1.2 2,-0.7 -76,-0.6 -66,-0.4 0.769 59.0 158.4 65.1 28.9 48.5 29.7 145.0 432 82 B I < - 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0 0 5 -3,-1.3 2,-2.0 1,-0.1 7,-0.1 -0.254 67.4-112.0 -64.7 149.8 31.4 -13.8 68.0 1379 331 D D S S+ 0 0 131 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.603 78.0 121.6 -83.5 75.1 31.2 -10.1 67.0 1380 332 D M S S- 0 0 24 -2,-2.0 5,-0.0 -34,-0.0 -34,-0.0 -0.982 70.0 -95.6-137.5 146.3 29.6 -9.3 70.4 1381 333 D S > - 0 0 54 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.174 34.8-114.6 -60.2 153.7 30.7 -6.9 73.1 1382 334 D A H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 117.9 52.8 -52.9 -42.5 32.7 -8.4 76.0 1383 335 D Q H > S+ 0 0 140 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 111.6 44.1 -64.2 -44.3 29.8 -7.6 78.4 1384 336 D T H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 112.3 52.3 -66.8 -42.8 27.2 -9.3 76.2 1385 337 D K H X S+ 0 0 27 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.883 107.6 52.1 -61.2 -39.2 29.4 -12.4 75.6 1386 338 D K H X>S+ 0 0 86 -4,-2.2 4,-2.3 -5,-0.2 5,-2.2 0.865 109.9 49.5 -67.4 -35.8 29.9 -12.8 79.4 1387 339 D K H <>S+ 0 0 56 -4,-1.7 5,-2.0 3,-0.2 6,-0.5 0.957 112.6 48.2 -62.0 -48.7 26.1 -12.7 79.9 1388 340 D F H <5S+ 0 0 1 -4,-2.7 -29,-2.9 1,-0.2 -2,-0.2 0.907 122.4 31.6 -61.2 -45.4 25.7 -15.3 77.2 1389 341 D F H <5S- 0 0 0 -4,-2.6 -325,-2.5 -31,-0.2 -1,-0.2 0.804 137.7 -5.8 -82.4 -33.4 28.3 -17.7 78.5 1390 342 D Q T X5S+ 0 0 26 -4,-2.3 4,-2.1 -5,-0.3 -3,-0.2 0.716 116.6 51.4-129.4 -61.0 28.2 -17.1 82.2 1391 343 D T H > S+ 0 0 2 -6,-0.5 4,-2.5 1,-0.2 6,-0.3 0.911 109.5 54.7 -56.2 -44.3 23.0 -18.9 83.7 1394 346 D E H <>S+ 0 0 55 -4,-2.1 5,-1.6 1,-0.2 4,-0.3 0.899 114.9 41.7 -57.2 -39.8 24.2 -17.8 87.1 1395 347 D K H ><5S+ 0 0 124 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.971 118.3 41.0 -70.2 -54.3 21.1 -15.6 87.5 1396 348 D W H 3<5S+ 0 0 41 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.798 123.4 38.1 -75.8 -28.9 18.4 -17.9 86.1 1397 349 D F T 3<5S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.431 104.2-128.7 -96.1 -0.9 19.6 -21.1 87.7 1398 350 D K T < 5 0 0 107 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.927 360.0 360.0 55.1 52.1 20.6 -19.3 90.9 1399 351 D L < 0 0 80 -5,-1.6 -1,-0.1 -6,-0.3 -225,-0.0 -0.340 360.0 360.0 -74.6 360.0 24.1 -20.8 90.8