==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 03-NOV-97 1MNM . COMPND 2 MOLECULE: DNA (STE6 OPERATOR DNA); . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.J.RICHMOND S.TAN . 320 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.2 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 1 0 1 0 0 1 3 0 2 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 2 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 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 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 15 A Q 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.2 44.6 30.9 5.0 2 16 A K - 0 0 180 1,-0.0 2,-0.1 2,-0.0 0, 0.0 0.805 360.0-107.2 68.6 113.6 41.3 29.5 6.4 3 17 A E - 0 0 95 2,-0.0 2,-0.5 1,-0.0 -1,-0.0 -0.436 30.1-161.1 -69.8 143.3 38.0 31.0 5.1 4 18 A R + 0 0 173 -2,-0.1 -1,-0.0 1,-0.1 -2,-0.0 -0.969 22.9 162.8-130.9 114.6 36.0 33.4 7.2 5 19 A R + 0 0 184 -2,-0.5 -1,-0.1 2,-0.0 -2,-0.0 -0.074 30.8 143.8-120.9 35.1 32.4 34.1 6.5 6 20 A K - 0 0 144 1,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.017 33.2-153.9 -67.3 174.9 31.4 35.6 9.9 7 21 A I - 0 0 111 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.964 10.4-135.4-156.1 131.8 29.0 38.4 10.5 8 22 A E - 0 0 152 -2,-0.3 2,-1.5 1,-0.0 0, 0.0 -0.506 37.4-104.1 -79.5 159.8 28.7 40.9 13.3 9 23 A I S S+ 0 0 60 -2,-0.2 2,-0.3 112,-0.0 -1,-0.0 -0.550 75.7 123.8 -91.3 75.9 25.2 41.5 14.7 10 24 A K S S- 0 0 42 -2,-1.5 -2,-0.0 112,-0.1 111,-0.0 -0.926 72.4 -80.7-130.3 153.7 24.5 44.9 13.0 11 25 A F - 0 0 80 -2,-0.3 2,-0.8 1,-0.1 111,-0.2 -0.260 47.3-124.0 -53.9 133.3 21.8 46.1 10.7 12 26 A I - 0 0 26 110,-2.5 -1,-0.1 109,-0.2 6,-0.1 -0.773 22.7-168.7 -88.4 110.3 22.5 45.0 7.1 13 27 A E + 0 0 127 -2,-0.8 2,-0.3 310,-0.1 -1,-0.2 0.918 64.1 84.7 -63.7 -50.6 22.5 48.1 4.8 14 28 A N S > S- 0 0 4 309,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.421 71.7-148.2 -59.8 120.1 22.5 46.2 1.5 15 29 A K H > S+ 0 0 113 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.894 93.3 50.8 -56.8 -44.6 18.8 45.5 0.7 16 30 A T H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 113.4 41.9 -60.6 -53.9 19.7 42.2 -1.2 17 31 A R H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.795 115.2 52.8 -65.6 -28.4 21.9 40.7 1.5 18 32 A R H X S+ 0 0 24 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.870 107.1 51.0 -75.3 -39.6 19.4 41.8 4.2 19 33 A H H X S+ 0 0 83 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 110.4 49.1 -64.7 -42.3 16.4 40.2 2.5 20 34 A V H X S+ 0 0 72 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.973 111.2 48.8 -61.8 -51.3 18.2 36.9 2.1 21 35 A T H X S+ 0 0 40 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.821 109.6 54.2 -58.1 -33.2 19.2 36.8 5.8 22 36 A F H X S+ 0 0 25 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.962 109.9 45.6 -65.6 -51.4 15.6 37.7 6.8 23 37 A S H X S+ 0 0 74 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.925 115.5 46.7 -57.1 -49.4 14.2 34.8 4.9 24 38 A K H X S+ 0 0 153 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.923 119.0 38.6 -62.3 -47.4 16.8 32.3 6.2 25 39 A R H X S+ 0 0 63 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.813 110.6 59.1 -76.1 -28.3 16.5 33.4 9.8 26 40 A K H X S+ 0 0 30 -4,-2.9 4,-1.9 -5,-0.3 3,-0.2 0.974 113.6 39.9 -61.6 -49.1 12.7 33.9 9.7 27 41 A H H X S+ 0 0 127 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.894 113.8 54.3 -64.2 -43.9 12.4 30.3 8.8 28 42 A G H X S+ 0 0 29 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.795 112.7 42.3 -63.0 -31.4 15.1 29.2 11.1 29 43 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 -3,-0.2 -1,-0.2 0.775 109.1 56.7 -86.4 -30.4 13.5 30.8 14.2 30 44 A M H X S+ 0 0 42 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.823 110.5 48.2 -67.8 -29.1 10.0 29.6 13.2 31 45 A K H X S+ 0 0 106 -4,-1.6 4,-2.6 2,-0.2 3,-0.4 0.950 109.5 50.0 -73.1 -51.6 11.5 26.1 13.3 32 46 A K H X S+ 0 0 85 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.805 109.5 53.3 -56.0 -34.7 13.2 26.6 16.6 33 47 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.855 110.1 46.9 -69.5 -40.1 9.9 27.9 18.1 34 48 A F H X S+ 0 0 101 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.931 112.1 48.7 -66.8 -50.1 8.1 24.8 16.9 35 49 A E H X S+ 0 0 19 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.913 111.7 51.1 -56.7 -43.2 10.7 22.3 18.2 36 50 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 6,-0.3 0.907 107.5 52.1 -62.1 -43.0 10.7 24.1 21.6 37 51 A S H X>S+ 0 0 13 -4,-1.8 5,-0.9 2,-0.2 4,-0.7 0.883 117.6 38.8 -62.4 -35.8 6.9 23.9 21.8 38 52 A V H <5S+ 0 0 41 -4,-1.9 3,-0.2 2,-0.2 -2,-0.2 0.957 112.6 50.5 -79.0 -57.2 7.0 20.1 21.2 39 53 A L H <5S+ 0 0 10 -4,-2.8 56,-2.9 1,-0.2 -3,-0.2 0.863 129.5 23.4 -50.3 -40.5 10.0 19.0 23.1 40 54 A T H <5S- 0 0 2 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.468 98.1-130.8-107.8 -4.6 8.8 20.8 26.2 41 55 A G T <5 + 0 0 47 -4,-0.7 2,-0.3 -5,-0.2 -3,-0.2 0.948 57.2 139.5 53.2 56.7 5.1 21.0 25.6 42 56 A T < - 0 0 10 -5,-0.9 2,-0.4 -6,-0.3 -1,-0.2 -0.829 58.0 -95.1-125.7 164.9 4.8 24.7 26.3 43 57 A Q E -A 132 0A 40 89,-0.7 89,-2.7 -2,-0.3 2,-0.4 -0.678 43.5-177.4 -85.2 131.7 2.9 27.7 24.8 44 58 A V E -A 131 0A 0 -2,-0.4 16,-1.5 87,-0.2 2,-0.4 -0.991 15.3-174.2-134.9 138.0 4.8 29.8 22.3 45 59 A L E +AB 130 59A 2 85,-2.3 85,-3.2 -2,-0.4 2,-0.4 -0.998 8.1 177.2-130.6 125.6 4.0 32.9 20.3 46 60 A L E -AB 129 58A 0 12,-2.3 12,-1.7 -2,-0.4 2,-0.4 -0.991 3.7-176.1-133.1 123.8 6.3 34.3 17.7 47 61 A L E +AB 128 57A 0 81,-2.5 81,-1.8 -2,-0.4 2,-0.4 -0.983 3.2 177.8-121.4 127.1 5.6 37.4 15.5 48 62 A V E -AB 127 56A 0 8,-3.2 8,-2.6 -2,-0.4 2,-0.5 -0.940 10.5-162.6-132.0 108.9 7.9 38.6 12.8 49 63 A V E - B 0 55A 11 77,-2.1 77,-0.5 -2,-0.4 6,-0.2 -0.802 14.6-139.8 -93.5 130.3 6.9 41.5 10.7 50 64 A S > - 0 0 11 4,-2.5 3,-2.9 -2,-0.5 76,-0.1 -0.435 28.4-103.9 -84.2 163.5 8.7 42.0 7.4 51 65 A E T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.816 124.5 60.8 -53.2 -32.3 9.8 45.4 6.0 52 66 A T T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.544 123.3-108.0 -72.5 -9.1 6.9 45.0 3.6 53 67 A G < + 0 0 52 -3,-2.9 2,-0.4 1,-0.3 -2,-0.2 0.669 68.6 147.3 90.2 16.2 4.6 45.0 6.6 54 68 A L - 0 0 81 -4,-0.1 -4,-2.5 1,-0.0 2,-1.0 -0.746 42.0-142.0 -87.5 131.1 3.6 41.3 6.5 55 69 A V E -B 49 0A 53 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.774 16.8-168.8 -98.1 92.8 3.1 39.8 10.0 56 70 A Y E -B 48 0A 85 -8,-2.6 -8,-3.2 -2,-1.0 2,-0.3 -0.633 16.3-178.9 -78.0 134.0 4.5 36.2 10.0 57 71 A T E -B 47 0A 51 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.910 26.0-166.5-137.4 158.6 3.4 34.3 13.1 58 72 A F E +B 46 0A 43 -12,-1.7 -12,-2.3 -2,-0.3 2,-0.4 -0.961 21.6 172.5-141.3 129.6 3.7 30.9 14.8 59 73 A S E -B 45 0A 24 -2,-0.3 -14,-0.2 -14,-0.2 -2,-0.0 -0.997 28.7-137.1-145.3 147.1 1.4 29.9 17.7 60 74 A T >> - 0 0 9 -16,-1.5 3,-1.0 -2,-0.4 4,-0.9 -0.523 52.8 -86.2 -88.1 164.3 0.6 27.0 19.8 61 75 A P T 34 S+ 0 0 101 0, 0.0 3,-0.5 0, 0.0 -18,-0.0 0.787 124.2 51.5 -41.7 -45.4 -3.1 26.3 20.5 62 76 A K T 34 S+ 0 0 43 1,-0.2 102,-0.2 2,-0.1 4,-0.1 0.827 114.8 41.3 -67.1 -34.8 -3.5 28.7 23.5 63 77 A F T X4 S+ 0 0 0 -3,-1.0 3,-1.6 -19,-0.2 4,-0.5 0.474 88.3 95.0 -91.0 -4.7 -2.0 31.7 21.9 64 78 A E T >X S+ 0 0 97 -4,-0.9 3,-1.7 -3,-0.5 4,-0.8 0.875 73.3 63.4 -57.2 -40.4 -3.7 31.2 18.5 65 79 A P H 3> S+ 0 0 37 0, 0.0 4,-1.6 0, 0.0 7,-0.5 0.703 93.5 66.6 -59.6 -15.7 -6.7 33.5 19.3 66 80 A I H <4 S+ 0 0 12 -3,-1.6 10,-0.2 1,-0.2 -2,-0.2 0.802 111.0 31.4 -74.9 -28.8 -4.2 36.4 19.5 67 81 A V H <4 S+ 0 0 14 -3,-1.7 -1,-0.2 -4,-0.5 -3,-0.1 0.343 126.9 41.4-111.0 7.9 -3.3 36.1 15.7 68 82 A T H < S+ 0 0 77 -4,-0.8 2,-0.2 -3,-0.1 -2,-0.2 0.612 103.5 65.4-123.4 -26.8 -6.7 34.9 14.5 69 83 A Q S X S- 0 0 117 -4,-1.6 4,-1.9 -5,-0.3 5,-0.2 -0.550 83.1-111.3 -99.4 168.1 -9.3 37.0 16.4 70 84 A Q H > S+ 0 0 64 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.895 106.8 58.1 -66.2 -44.2 -10.1 40.7 16.5 71 85 A E H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 115.8 34.5 -55.8 -47.8 -9.0 41.7 20.0 72 86 A G H > S+ 0 0 2 -7,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.934 117.1 52.9 -72.3 -47.7 -5.4 40.6 19.4 73 87 A R H X S+ 0 0 147 -4,-1.9 4,-2.1 -8,-0.3 -2,-0.2 0.862 110.4 49.5 -54.8 -40.5 -5.1 41.5 15.8 74 88 A N H X S+ 0 0 101 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.909 109.8 49.9 -66.2 -45.3 -6.3 45.0 16.6 75 89 A L H X S+ 0 0 14 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.840 111.2 50.4 -63.2 -34.0 -3.8 45.4 19.4 76 90 A I H X S+ 0 0 14 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.933 111.8 45.6 -69.8 -46.9 -1.0 44.3 17.1 77 91 A Q H X S+ 0 0 120 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.906 112.1 54.0 -61.3 -41.2 -1.9 46.7 14.3 78 92 A A H >< S+ 0 0 56 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.967 107.8 49.0 -56.0 -54.4 -2.2 49.4 17.0 79 93 A C H >< S+ 0 0 10 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.815 112.6 48.4 -54.3 -38.8 1.3 48.7 18.2 80 94 A L H 3< S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.693 98.8 66.0 -77.5 -23.5 2.7 48.8 14.7 81 95 A N T << S+ 0 0 119 -4,-1.6 -1,-0.2 -3,-0.9 -2,-0.2 0.436 82.1 109.8 -78.8 1.7 1.0 52.1 13.7 82 96 A A S < S- 0 0 41 -3,-0.7 2,-0.1 -4,-0.3 63,-0.1 -0.412 81.8 -84.0 -78.0 153.4 3.2 53.8 16.3 83 97 A P - 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.333 29.4-134.6 -62.0 134.8 6.0 56.3 15.4 84 98 A D 0 0 140 1,-0.2 61,-0.1 -2,-0.1 -2,-0.0 0.918 360.0 360.0 -51.2 -65.2 9.5 54.9 14.4 85 99 A D 0 0 206 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.172 360.0 360.0 52.5 360.0 11.7 57.2 16.4 86 !* 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 87 18 B R 0 0 296 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.0 24.6 11.0 12.3 88 19 B R - 0 0 95 3,-0.0 2,-0.7 1,-0.0 3,-0.0 -0.799 360.0-144.9 -98.9 105.7 21.7 11.0 14.8 89 20 B K - 0 0 95 -2,-0.8 -1,-0.0 1,-0.1 0, 0.0 -0.543 30.1-114.3 -70.9 106.6 18.8 13.4 13.9 90 21 B I - 0 0 127 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 -0.102 31.9-123.0 -43.7 123.4 17.5 14.8 17.3 91 22 B E - 0 0 77 1,-0.1 2,-1.0 -3,-0.0 -1,-0.1 -0.588 11.2-144.5 -76.9 134.7 13.9 13.5 17.7 92 23 B I + 0 0 57 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.674 54.0 121.3-101.1 75.3 11.3 16.2 18.2 93 24 B K S S- 0 0 61 -2,-1.0 2,-0.1 -54,-0.1 -55,-0.0 -0.892 75.5 -73.7-129.9 161.2 9.0 14.5 20.6 94 25 B F - 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0 0 147 1,-0.1 25,-0.0 -4,-0.1 -4,-0.0 -0.627 69.1-132.8 -77.7 109.9 29.0 40.6 57.4 213 157 C L - 0 0 37 -2,-0.7 2,-0.2 20,-0.1 -1,-0.1 -0.142 16.1-150.3 -62.5 151.2 27.6 43.8 55.9 214 158 C D > - 0 0 95 1,-0.0 4,-2.4 0, 0.0 5,-0.2 -0.654 35.9 -91.4-114.3 175.1 26.8 46.9 57.8 215 159 C T H > S+ 0 0 100 -2,-0.2 4,-1.4 2,-0.2 5,-0.1 0.799 125.9 44.4 -59.0 -32.5 24.2 49.7 57.3 216 160 C K H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.969 114.0 46.7 -76.0 -55.0 26.7 51.8 55.3 217 161 C G H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.792 113.4 51.4 -55.8 -33.3 28.1 49.0 53.1 218 162 C L H X S+ 0 0 10 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.936 107.0 52.4 -69.0 -49.5 24.6 47.8 52.4 219 163 C E H X S+ 0 0 85 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.875 107.4 52.4 -53.6 -46.1 23.4 51.2 51.4 220 164 C N H >X S+ 0 0 92 -4,-2.1 4,-3.0 1,-0.2 3,-0.9 0.976 108.3 49.5 -54.9 -59.4 26.2 51.6 48.9 221 165 C L H 3X S+ 0 0 4 -4,-1.6 4,-2.8 1,-0.3 5,-0.5 0.792 107.7 55.1 -50.6 -37.8 25.5 48.3 47.2 222 166 C M H 3X S+ 0 0 57 -4,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.874 112.6 42.1 -66.3 -38.8 21.8 49.2 46.9 223 167 C K H << S+ 0 0 74 -4,-1.7 -2,-0.2 -3,-0.9 -1,-0.2 0.952 119.0 45.8 -71.5 -47.3 22.6 52.4 45.0 224 168 C N H < S+ 0 0 98 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.803 128.1 24.1 -65.1 -37.7 25.3 50.7 42.9 225 169 C T H < S- 0 0 6 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.739 87.5-137.6-100.3 -31.5 23.3 47.6 42.0 226 170 C S < + 0 0 104 -4,-1.5 2,-0.3 -5,-0.5 -4,-0.1 0.632 60.3 134.8 77.3 16.8 19.7 48.8 42.3 227 171 C L - 0 0 27 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.764 59.3 -98.6 -97.3 144.6 18.9 45.5 43.9 228 172 C S > - 0 0 49 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 0.009 28.0-108.6 -61.2 162.8 16.8 45.2 47.1 229 173 C R H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.877 121.0 53.2 -56.5 -40.7 18.1 44.9 50.7 230 174 C I H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 108.7 47.7 -64.1 -43.0 16.8 41.3 50.7 231 175 C Q H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.842 115.4 45.2 -68.3 -35.3 18.7 40.4 47.5 232 176 C I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.955 113.9 47.7 -70.9 -52.6 21.9 41.9 48.8 233 177 C K H X S+ 0 0 104 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.870 116.6 46.3 -54.5 -40.9 21.6 40.3 52.2 234 178 C N H X S+ 0 0 85 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.884 110.5 49.4 -70.6 -46.4 20.9 37.0 50.5 235 179 C W H X S+ 0 0 41 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.938 113.4 48.2 -59.5 -47.4 23.6 37.1 47.9 236 180 C V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.3 0.895 113.5 47.2 -58.6 -45.0 26.2 38.0 50.6 237 181 C S H X S+ 0 0 52 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.931 112.1 49.0 -62.5 -48.2 24.9 35.1 52.8 238 182 C N H X S+ 0 0 74 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.649 110.6 54.9 -65.8 -15.8 24.9 32.7 49.9 239 183 C R H X S+ 0 0 35 -4,-0.9 4,-2.5 -3,-0.3 -2,-0.2 0.869 104.1 49.1 -86.1 -41.0 28.5 33.9 49.3 240 184 C R H X S+ 0 0 61 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.885 110.2 55.8 -63.0 -37.0 29.8 33.2 52.8 241 185 C R H < S+ 0 0 177 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.933 110.1 42.9 -57.3 -50.0 28.3 29.8 52.3 242 186 C K H >< S+ 0 0 127 -4,-1.2 3,-1.5 1,-0.2 -2,-0.2 0.843 108.1 62.8 -65.7 -34.0 30.3 29.3 49.1 243 187 C E H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 91.7 60.3 -61.3 -39.8 33.4 30.8 50.8 244 188 C K T 3< 0 0 87 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.390 360.0 360.0 -70.1 8.5 33.5 28.0 53.4 245 189 C T < 0 0 178 -3,-1.5 -2,-0.2 -5,-0.1 -3,-0.1 0.921 360.0 360.0 73.7 360.0 33.9 25.9 50.2 246 !* 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 0.0 247 113 D G 0 0 135 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.5 28.7 -9.5 -7.9 248 114 D L - 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0 0 51 1,-0.1 4,-2.5 32,-0.1 3,-0.3 -0.217 33.8-121.9 -58.2 147.9 39.9 28.1 -8.8 272 138 D K H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.895 118.6 53.0 -58.8 -34.7 41.8 30.2 -6.3 273 139 D E H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.828 109.0 48.1 -68.7 -34.2 44.0 31.2 -9.3 274 140 D N H > S+ 0 0 20 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.886 109.2 50.5 -73.2 -43.8 40.9 32.2 -11.3 275 141 D V H X S+ 0 0 61 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.768 108.1 55.6 -66.3 -25.2 39.3 34.3 -8.5 276 142 D R H X S+ 0 0 159 -4,-1.2 4,-1.7 -5,-0.3 -1,-0.2 0.917 109.9 45.0 -71.7 -42.3 42.6 36.1 -8.1 277 143 D I H X S+ 0 0 28 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.881 115.4 47.2 -67.0 -42.5 42.6 37.0 -11.8 278 144 D L H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.871 111.3 49.9 -69.0 -39.2 39.0 38.1 -11.8 279 145 D E H X S+ 0 0 63 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.854 106.9 57.0 -67.4 -35.4 39.4 40.2 -8.6 280 146 D S H X S+ 0 0 71 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.904 107.3 47.1 -61.5 -44.4 42.4 41.9 -10.1 281 147 D W H X S+ 0 0 31 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.945 112.4 51.2 -62.3 -47.4 40.4 43.1 -13.1 282 148 D F H < S+ 0 0 3 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.885 109.1 49.2 -57.0 -45.3 37.6 44.3 -10.8 283 149 D A H >< S+ 0 0 62 -4,-2.5 3,-1.1 1,-0.2 4,-0.2 0.910 111.1 49.6 -62.4 -43.7 40.0 46.3 -8.6 284 150 D K H 3< S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.657 121.8 36.2 -70.2 -15.0 41.6 48.0 -11.6 285 151 D N T >< S+ 0 0 51 -4,-1.0 3,-1.1 -3,-0.4 -1,-0.3 0.137 78.0 122.0-122.7 18.6 38.1 48.8 -12.9 286 152 D I T < S+ 0 0 74 -3,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.823 73.8 55.9 -51.1 -36.1 36.5 49.5 -9.5 287 153 D E T 3 S+ 0 0 176 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.834 128.7 13.2 -68.6 -34.1 35.5 53.0 -10.6 288 154 D N S < S- 0 0 105 -3,-1.1 2,-1.6 -6,-0.1 -1,-0.3 -0.683 77.0-172.8-145.8 81.6 33.6 51.7 -13.7 289 155 D P + 0 0 17 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.465 40.1 116.9 -77.6 63.3 33.1 47.9 -13.2 290 156 D Y - 0 0 127 -2,-1.6 2,-0.1 -5,-0.1 -2,-0.1 -0.994 64.1-112.0-135.3 137.9 31.6 46.9 -16.6 291 157 D L - 0 0 48 -2,-0.4 2,-0.3 20,-0.1 3,-0.0 -0.434 27.5-168.8 -71.9 141.2 33.1 44.5 -19.2 292 158 D D > - 0 0 89 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.779 40.2 -99.0-118.8 165.6 34.3 45.8 -22.6 293 159 D T H > S+ 0 0 106 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.903 122.0 49.2 -53.6 -44.5 35.2 43.6 -25.5 294 160 D K H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 113.0 46.8 -64.3 -41.1 39.0 43.8 -24.8 295 161 D G H > S+ 0 0 9 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 107.5 54.4 -69.0 -41.6 38.6 42.9 -21.1 296 162 D L H X S+ 0 0 13 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.912 110.6 47.1 -58.6 -45.5 36.3 39.9 -21.6 297 163 D E H X S+ 0 0 105 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.883 109.7 51.5 -66.8 -41.3 38.7 38.3 -24.0 298 164 D N H X S+ 0 0 93 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.809 113.1 46.7 -67.4 -28.3 41.7 38.8 -21.8 299 165 D L H X>S+ 0 0 10 -4,-1.6 4,-2.9 2,-0.2 5,-0.7 0.916 110.1 51.0 -77.3 -44.7 39.9 37.3 -18.9 300 166 D M H X5S+ 0 0 50 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.869 111.5 52.4 -57.0 -36.7 38.6 34.3 -20.9 301 167 D K H <5S+ 0 0 151 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.919 116.3 36.2 -66.2 -45.7 42.2 33.9 -22.0 302 168 D N H <5S+ 0 0 90 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.741 131.4 27.0 -83.4 -27.0 43.6 33.9 -18.4 303 169 D T H <5S- 0 0 9 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.631 86.9-143.7-106.0 -23.2 40.9 32.0 -16.6 304 170 D S << + 0 0 104 -4,-1.4 2,-0.3 -5,-0.7 -4,-0.2 0.764 49.7 145.7 61.8 25.5 39.6 30.0 -19.5 305 171 D L - 0 0 15 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.692 56.7 -94.5 -88.6 148.3 36.1 30.4 -18.0 306 172 D S > - 0 0 51 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.135 33.0-107.1 -61.1 161.1 33.2 30.7 -20.6 307 173 D R H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.934 120.2 46.8 -53.5 -51.8 32.0 34.1 -21.8 308 174 D I H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.828 108.8 55.7 -63.9 -32.1 28.7 33.8 -19.8 309 175 D Q H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 109.5 44.8 -64.4 -50.7 30.5 32.6 -16.6 310 176 D I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 112.8 52.3 -60.9 -42.1 32.8 35.7 -16.5 311 177 D K H X S+ 0 0 95 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.909 111.8 46.1 -61.8 -42.5 29.9 38.0 -17.3 312 178 D N H X S+ 0 0 83 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.876 108.9 55.0 -69.9 -35.2 27.9 36.5 -14.4 313 179 D W H X S+ 0 0 37 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.945 110.0 46.7 -61.1 -48.3 30.8 36.7 -12.0 314 180 D V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 110.3 52.8 -61.5 -40.5 31.2 40.4 -12.6 315 181 D S H X S+ 0 0 53 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.930 114.0 42.4 -61.9 -44.5 27.4 41.0 -12.3 316 182 D N H X S+ 0 0 101 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.766 111.7 56.7 -70.1 -30.5 27.5 39.2 -8.9 317 183 D R H X S+ 0 0 28 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.824 104.2 51.3 -71.4 -34.3 30.7 41.0 -8.0 318 184 D R H X S+ 0 0 70 -4,-2.1 4,-1.8 2,-0.2 3,-0.3 0.916 109.4 51.4 -67.8 -41.5 29.1 44.4 -8.6 319 185 D R H < S+ 0 0 131 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.879 105.1 55.6 -61.3 -39.4 26.2 43.3 -6.3 320 186 D K H < S+ 0 0 134 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 111.8 44.3 -62.2 -32.6 28.7 42.3 -3.6 321 187 D E H < S+ 0 0 96 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.768 93.2 108.3 -83.5 -26.5 30.2 45.8 -3.8 322 188 D K < 0 0 82 -4,-1.8 -308,-0.1 1,-0.1 -3,-0.0 -0.009 360.0 360.0 -54.6 155.1 26.8 47.6 -3.8 323 189 D T 0 0 130 -310,-0.1 -309,-0.3 -309,-0.1 -1,-0.1 0.965 360.0 360.0 50.0 360.0 25.3 49.7 -0.9