==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-APR-06 2GTA . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YPJD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.M.VOROBIEV,W.ZHOU,J.SEETHARAMAN,D.WANG,L.C.MA,T.ACTON, . 377 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 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 . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 0 0 0 0 0 1 1 5 1 0 0 0 3 1 0 0 3 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 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 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 X 0 0 262 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.5 8.3 48.3 28.4 2 2 A S - 0 0 107 287,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.935 360.0-139.5-173.4 149.2 8.2 47.2 32.1 3 3 A D - 0 0 95 -2,-0.3 2,-0.2 1,-0.1 0, 0.0 -0.387 46.6 -67.1-101.3 179.3 9.7 47.5 35.6 4 4 A K - 0 0 51 -2,-0.1 286,-3.1 285,-0.1 287,-0.4 -0.501 41.5-143.9 -78.5 134.9 10.5 44.9 38.4 5 5 A T B > -A 289 0A 20 284,-0.3 4,-2.0 -2,-0.2 284,-0.2 -0.591 21.4-121.8 -92.4 155.6 7.9 42.9 40.2 6 6 A X H > S+ 0 0 0 282,-1.8 4,-2.1 1,-0.2 5,-0.2 0.861 115.3 54.7 -63.7 -34.8 8.1 42.0 43.8 7 7 A K H > S+ 0 0 37 281,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.884 107.5 49.5 -65.6 -39.2 7.9 38.3 42.8 8 8 A D H > S+ 0 0 79 2,-0.2 4,-3.5 1,-0.2 -2,-0.2 0.875 108.1 53.3 -68.3 -37.5 10.8 38.7 40.5 9 9 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.925 111.0 46.6 -63.6 -42.7 12.9 40.4 43.2 10 10 A Q H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.938 115.1 47.2 -63.6 -43.5 12.2 37.4 45.5 11 11 A A H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.921 108.5 54.4 -62.7 -44.7 13.1 35.1 42.6 12 12 A E H X S+ 0 0 46 -4,-3.5 4,-1.3 1,-0.2 -1,-0.2 0.915 110.1 47.3 -55.8 -45.3 16.2 37.0 41.8 13 13 A V H >X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-0.5 0.950 110.5 51.8 -61.6 -49.7 17.4 36.6 45.3 14 14 A D H 3X S+ 0 0 78 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.832 107.5 51.6 -57.1 -38.0 16.6 32.9 45.5 15 15 A R H 3< S+ 0 0 156 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.807 112.4 48.8 -69.0 -30.0 18.6 32.2 42.2 16 16 A Y H X< S+ 0 0 31 -4,-1.3 3,-1.5 -3,-0.5 -2,-0.2 0.958 114.7 41.4 -71.8 -54.9 21.5 34.0 43.8 17 17 A I H >< S+ 0 0 20 -4,-2.9 3,-1.6 1,-0.3 6,-0.4 0.817 105.2 69.0 -63.0 -30.7 21.3 32.1 47.2 18 18 A G T 3< S+ 0 0 61 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.558 86.7 65.3 -67.5 -8.8 20.7 28.9 45.3 19 19 A Q T < S+ 0 0 128 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.319 89.1 81.5 -95.4 8.3 24.2 28.9 43.8 20 20 A F S < S- 0 0 85 -3,-1.6 3,-0.2 1,-0.1 4,-0.1 -0.924 74.6-143.6-111.8 136.0 25.7 28.4 47.3 21 21 A K S S+ 0 0 105 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.900 100.5 60.1 -65.5 -39.1 25.7 24.9 48.9 22 22 A E S S- 0 0 149 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.856 86.6-177.5 -55.8 -41.0 24.9 26.4 52.3 23 23 A G - 0 0 30 -6,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 -0.471 41.1 -6.2 77.6-146.4 21.7 27.9 51.1 24 24 A Y S S- 0 0 59 -2,-0.2 2,-0.1 1,-0.1 53,-0.1 -0.242 71.9-110.5 -80.3 170.8 19.5 30.0 53.4 25 25 A F - 0 0 118 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.450 37.0 -94.9 -93.6 171.3 20.0 30.7 57.1 26 26 A S > - 0 0 65 -2,-0.1 4,-3.5 1,-0.1 3,-0.3 -0.495 42.2-104.1 -81.3 159.2 17.8 29.4 59.9 27 27 A P H > S+ 0 0 22 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.895 120.8 45.0 -51.5 -46.3 15.1 31.7 61.1 28 28 A L H > S+ 0 0 24 305,-0.3 4,-1.4 2,-0.2 5,-0.1 0.804 117.2 44.5 -69.5 -30.3 16.9 32.7 64.4 29 29 A A H > S+ 0 0 13 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.891 112.9 51.7 -77.7 -41.5 20.2 33.2 62.5 30 30 A X H X S+ 0 0 5 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.845 107.6 55.2 -60.8 -35.0 18.5 35.1 59.8 31 31 A X H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.917 107.1 46.1 -66.7 -46.0 16.9 37.3 62.5 32 32 A A H X S+ 0 0 3 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.856 110.6 56.9 -63.9 -33.8 20.2 38.3 64.0 33 33 A R H X S+ 0 0 47 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.895 108.5 46.7 -60.8 -43.2 21.3 38.9 60.4 34 34 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.925 108.9 50.7 -68.2 -48.7 18.4 41.3 60.0 35 35 A T H X S+ 0 0 4 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.661 107.0 60.0 -67.3 -11.6 18.8 43.3 63.2 36 36 A E H X S+ 0 0 23 -4,-0.8 4,-1.3 -5,-0.2 -1,-0.2 0.955 108.5 39.2 -78.8 -52.4 22.4 43.7 62.1 37 37 A E H X S+ 0 0 13 -4,-1.6 4,-2.1 1,-0.2 33,-0.2 0.791 112.1 59.0 -67.5 -26.4 21.7 45.5 58.9 38 38 A L H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.959 102.3 54.1 -65.4 -48.0 18.9 47.4 60.6 39 39 A G H X S+ 0 0 2 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.856 107.7 49.3 -53.9 -37.6 21.4 48.8 63.0 40 40 A E H X S+ 0 0 68 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.921 111.0 49.5 -68.7 -41.6 23.5 50.1 60.1 41 41 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.913 112.5 49.3 -59.8 -41.9 20.5 51.7 58.6 42 42 A A H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.893 108.5 51.7 -64.9 -42.6 19.8 53.2 62.0 43 43 A R H X S+ 0 0 120 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.930 110.9 49.5 -60.1 -45.8 23.4 54.5 62.3 44 44 A E H >X S+ 0 0 18 -4,-2.5 4,-3.0 1,-0.2 3,-0.6 0.933 111.6 45.5 -60.4 -51.7 23.1 56.1 58.9 45 45 A V H 3X>S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.3 5,-1.2 0.834 108.1 58.1 -65.1 -29.9 19.8 57.9 59.4 46 46 A N H 3<5S+ 0 0 0 -4,-1.9 6,-2.0 -5,-0.2 -1,-0.3 0.832 112.4 42.3 -69.5 -25.7 21.0 59.1 62.8 47 47 A H H <<5S+ 0 0 34 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.934 121.7 36.9 -82.1 -49.7 23.9 60.7 60.9 48 48 A R H <5S+ 0 0 134 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.2 0.927 144.1 2.7 -70.4 -48.1 22.0 62.2 58.0 49 49 A Y T <5S+ 0 0 84 -4,-2.2 263,-0.2 -5,-0.2 -3,-0.2 0.358 121.9 75.1-119.2 0.8 18.7 63.2 59.7 50 50 A G S S+ 0 0 91 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 0.004 87.9 113.1-119.7 20.1 23.7 56.5 47.6 62 62 A S H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 73.7 53.1 -58.9 -47.6 24.5 55.4 51.2 63 63 A X H > S+ 0 0 18 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.861 110.7 48.1 -59.2 -36.2 20.9 55.7 52.3 64 64 A E H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.894 111.4 47.7 -72.9 -40.7 19.8 53.5 49.5 65 65 A E H X S+ 0 0 66 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.934 111.1 52.0 -65.9 -42.6 22.4 50.8 50.0 66 66 A E H X S+ 0 0 38 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.765 115.0 42.3 -64.8 -24.6 21.6 50.7 53.7 67 67 A I H X S+ 0 0 0 -4,-1.0 4,-2.3 -5,-0.2 -1,-0.2 0.800 109.6 57.7 -89.1 -32.8 17.9 50.3 52.9 68 68 A G H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.762 103.0 55.3 -67.6 -23.9 18.6 47.8 50.2 69 69 A D H X S+ 0 0 34 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.927 108.2 45.5 -75.2 -43.5 20.4 45.6 52.7 70 70 A V H X S+ 0 0 0 -4,-0.8 4,-2.6 -33,-0.2 5,-0.2 0.935 114.2 50.0 -63.4 -43.1 17.5 45.4 55.0 71 71 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 111.2 50.9 -62.0 -40.5 15.2 44.8 52.1 72 72 A F H >X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 3,-0.7 0.991 111.8 43.8 -59.4 -63.5 17.6 42.1 50.9 73 73 A V H 3X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.853 113.6 52.8 -48.7 -41.2 17.7 40.3 54.3 74 74 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.3 0.881 109.6 48.4 -64.5 -39.0 14.0 40.6 54.6 75 75 A V H <>S+ 0 0 0 -4,-1.3 5,-2.7 -5,-0.2 3,-1.1 0.934 110.8 44.2 -78.4 -47.3 10.8 35.6 53.2 79 79 A N H ><5S+ 0 0 25 -4,-3.0 3,-3.5 1,-0.3 -2,-0.2 0.967 106.5 62.0 -60.1 -50.6 11.9 33.2 50.5 80 80 A S T 3<5S+ 0 0 32 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.644 110.4 41.1 -50.2 -17.6 13.3 30.8 53.1 81 81 A L T < 5S- 0 0 33 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.092 114.0-114.5-119.5 22.0 9.8 30.4 54.5 82 82 A D T < 5 + 0 0 162 -3,-3.5 2,-0.4 1,-0.2 -3,-0.2 0.810 66.2 150.5 50.9 33.7 8.0 30.2 51.2 83 83 A I < - 0 0 23 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.2 -0.830 43.4-137.5-102.4 134.6 6.3 33.5 52.0 84 84 A S > - 0 0 39 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.797 6.9-162.5 -91.6 113.2 5.2 35.9 49.3 85 85 A L H > S+ 0 0 0 -2,-0.7 4,-2.5 2,-0.2 5,-0.2 0.891 92.0 57.9 -60.5 -39.7 6.0 39.5 50.1 86 86 A E H > S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 111.3 42.9 -55.1 -45.9 3.5 40.7 47.5 87 87 A E H > S+ 0 0 104 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.843 110.9 53.9 -68.9 -36.5 0.8 38.8 49.2 88 88 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.845 105.9 56.0 -66.6 -32.9 2.0 39.9 52.7 89 89 A H H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 101.3 54.9 -65.0 -43.5 1.7 43.5 51.4 90 90 A D H < S+ 0 0 60 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 101.8 62.4 -60.5 -29.5 -1.9 43.0 50.4 91 91 A R H >X S+ 0 0 90 -4,-1.1 4,-2.7 2,-0.2 3,-2.0 0.981 107.5 38.5 -59.2 -61.5 -2.6 41.9 54.0 92 92 A V H 3X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.3 5,-0.2 0.916 112.6 57.5 -58.6 -42.2 -1.6 45.2 55.6 93 93 A X H 3< S+ 0 0 16 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.505 113.1 43.7 -68.5 2.2 -3.2 47.1 52.8 94 94 A H H <4 S+ 0 0 138 -3,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.777 112.4 45.4-108.2 -55.0 -6.4 45.2 53.8 95 95 A K H < S+ 0 0 101 -4,-2.7 3,-0.3 2,-0.1 -2,-0.2 0.759 119.8 48.1 -62.5 -21.2 -6.4 45.4 57.5 96 96 A F S < S+ 0 0 32 -4,-2.1 2,-3.0 -5,-0.3 -3,-0.2 0.861 122.6 19.8 -82.5 -96.1 -5.6 49.1 57.2 97 97 A N 0 0 81 1,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.216 360.0 360.0 -74.0 56.1 -7.7 50.9 54.7 98 98 A T 0 0 119 -2,-3.0 -1,-0.2 -3,-0.3 -2,-0.1 0.983 360.0 360.0 -57.1 360.0 -10.4 48.2 54.9 99 !* 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 0.0 100 1 B X 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.0 26.3 51.5 101.6 101 2 B S + 0 0 89 2,-0.1 2,-0.1 100,-0.0 3,-0.1 0.172 360.0 134.3-113.5 16.0 23.6 49.0 100.7 102 3 B D - 0 0 82 1,-0.1 2,-0.2 99,-0.0 0, 0.0 -0.437 67.5 -99.8 -67.4 139.9 23.0 50.0 97.0 103 4 B K - 0 0 48 -2,-0.1 99,-2.6 98,-0.1 100,-0.3 -0.419 38.2-143.0 -64.4 125.6 22.8 47.1 94.6 104 5 B T B -B 201 0B 15 97,-0.3 4,-0.4 -2,-0.2 97,-0.3 -0.159 18.0-118.4 -77.7 179.0 26.1 46.6 92.8 105 6 B X S >> S+ 0 0 0 95,-1.8 4,-1.9 2,-0.2 3,-1.3 0.898 111.2 60.7 -85.0 -43.6 26.3 45.5 89.2 106 7 B K H 3> S+ 0 0 50 94,-0.5 4,-1.0 1,-0.3 -1,-0.1 0.768 109.3 43.4 -52.6 -29.8 28.1 42.3 90.1 107 8 B D H 3> S+ 0 0 68 2,-0.2 4,-3.9 3,-0.2 -1,-0.3 0.618 102.9 63.3 -94.8 -12.6 25.2 41.1 92.2 108 9 B I H <> S+ 0 0 1 -3,-1.3 4,-1.9 -4,-0.4 -2,-0.2 0.909 108.5 43.6 -73.6 -40.0 22.5 42.2 89.8 109 10 B Q H X S+ 0 0 18 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.940 116.3 51.0 -64.8 -41.6 23.9 39.6 87.4 110 11 B A H X S+ 0 0 31 -4,-1.0 4,-2.0 -5,-0.3 -2,-0.2 0.930 105.9 51.1 -59.9 -51.0 24.1 37.4 90.5 111 12 B E H X S+ 0 0 51 -4,-3.9 4,-1.6 1,-0.2 -1,-0.2 0.893 114.6 47.0 -55.7 -37.2 20.5 37.9 91.6 112 13 B V H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.942 106.5 54.1 -70.8 -48.1 19.5 37.0 88.0 113 14 B D H X S+ 0 0 87 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.839 110.2 50.7 -55.1 -33.4 21.7 33.9 87.8 114 15 B R H < S+ 0 0 158 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.898 108.0 50.3 -71.4 -42.1 20.1 32.7 90.9 115 16 B Y H >X S+ 0 0 35 -4,-1.6 4,-0.6 -5,-0.2 3,-0.6 0.819 112.9 48.5 -63.9 -32.7 16.6 33.3 89.6 116 17 B I H 3X S+ 0 0 31 -4,-2.2 4,-0.8 1,-0.2 5,-0.4 0.877 98.9 64.4 -75.4 -40.4 17.5 31.3 86.4 117 18 B G H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.442 92.8 69.6 -67.4 7.3 19.1 28.3 88.2 118 19 B Q H <4 S+ 0 0 119 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.2 0.953 96.6 45.1 -85.9 -62.5 15.6 27.7 89.6 119 20 B F H < S- 0 0 122 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.1 0.660 93.3-154.3 -55.4 -16.9 13.9 26.6 86.3 120 21 B K < + 0 0 182 -4,-0.8 -1,-0.1 1,-0.1 -3,-0.1 0.733 63.7 108.7 43.8 34.8 17.0 24.4 85.7 121 22 B E S S- 0 0 143 -5,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.089 81.8-119.6-116.4 13.4 16.6 24.4 81.9 122 23 B G - 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0 0 25 -5,-2.6 2,-0.9 -8,-0.2 -1,-0.2 -0.959 45.0-135.5-124.5 135.6 30.7 38.1 81.2 180 84 B S > - 0 0 37 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 -0.774 11.4-163.7 -86.1 109.8 31.2 40.8 83.8 181 85 B L H > S+ 0 0 0 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.886 92.8 52.7 -60.6 -36.9 28.9 43.6 82.9 182 86 B E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 111.7 44.3 -63.5 -47.0 30.9 45.9 85.3 183 87 B E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.936 111.2 54.1 -62.6 -45.5 34.2 44.9 83.5 184 88 B A H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.920 108.7 52.0 -52.9 -44.7 32.5 45.3 80.2 185 89 B H H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.959 108.6 46.2 -56.1 -59.9 31.5 48.8 81.3 186 90 B D H X S+ 0 0 50 -4,-2.3 4,-1.4 1,-0.3 -1,-0.2 0.776 108.7 57.2 -58.4 -27.9 35.0 50.0 82.3 187 91 B R H X S+ 0 0 132 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.3 0.951 111.5 43.5 -66.4 -47.0 36.4 48.6 79.1 188 92 B V H >X S+ 0 0 10 -4,-2.0 4,-1.8 1,-0.2 3,-0.5 0.961 113.2 49.7 -60.5 -54.7 33.9 50.9 77.3 189 93 B X H 3X S+ 0 0 5 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.741 108.8 56.1 -57.3 -24.4 34.6 53.8 79.6 190 94 B H H 3X S+ 0 0 126 -4,-1.4 4,-3.6 -5,-0.3 -1,-0.2 0.878 102.7 52.5 -76.1 -40.3 38.3 53.3 79.0 191 95 B K H << S+ 0 0 73 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.906 109.7 50.4 -62.4 -40.9 38.0 53.5 75.2 192 96 B F H < S+ 0 0 75 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.807 123.0 30.0 -66.7 -32.2 36.2 56.8 75.6 193 97 B N H >< S+ 0 0 95 -4,-1.0 3,-0.6 -5,-0.2 -2,-0.2 0.753 106.2 78.8 -99.5 -30.3 38.9 58.3 77.9 194 98 B T T 3< S+ 0 0 30 -4,-3.6 -4,-0.0 1,-0.2 0, 0.0 -0.406 90.5 24.1 -82.9 159.3 42.1 56.5 76.8 195 99 B R T 3 0 0 230 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.755 360.0 360.0 59.5 29.2 44.3 57.4 73.8 196 100 B D < 0 0 197 -3,-0.6 -1,-0.2 0, 0.0 0, 0.0 -0.393 360.0 360.0 66.8 360.0 42.9 60.9 73.9 197 !* 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 0.0 198 2 C S 0 0 156 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.3 36.4 49.7 95.2 199 3 C D - 0 0 114 -94,-0.0 2,-0.2 -95,-0.0 0, 0.0 -0.915 360.0-115.8-109.1 128.5 33.4 47.8 93.8 200 4 C K - 0 0 51 -2,-0.5 -95,-1.8 -96,-0.1 -94,-0.5 -0.374 18.3-155.3 -72.7 133.8 30.8 49.5 91.6 201 5 C T B > -B 104 0B 24 -97,-0.3 4,-2.2 -2,-0.2 -97,-0.3 -0.664 32.4-111.9 -96.1 152.2 27.1 50.1 92.5 202 6 C X H > S+ 0 0 0 -99,-2.6 4,-2.4 -2,-0.3 5,-0.2 0.925 118.2 51.3 -53.9 -47.6 24.6 50.5 89.7 203 7 C K H > S+ 0 0 79 -100,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.944 107.7 53.6 -53.8 -49.9 24.0 54.2 90.6 204 8 C D H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.913 107.2 50.8 -51.1 -48.6 27.7 54.8 90.6 205 9 C I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.947 111.0 48.6 -56.7 -47.9 28.0 53.4 87.1 206 10 C Q H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 112.6 49.0 -57.3 -46.1 25.1 55.7 86.0 207 11 C A H X S+ 0 0 38 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.897 107.7 53.7 -60.0 -44.2 26.8 58.6 87.6 208 12 C E H X S+ 0 0 42 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.911 111.4 46.0 -57.6 -43.8 30.2 57.8 85.9 209 13 C V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.870 108.5 56.3 -67.2 -37.7 28.5 57.8 82.6 210 14 C D H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.890 104.3 53.7 -62.2 -37.9 26.7 61.0 83.4 211 15 C R H X S+ 0 0 152 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.846 108.4 49.5 -66.2 -34.7 30.0 62.6 84.1 212 16 C Y H >< S+ 0 0 42 -4,-1.3 3,-1.7 2,-0.2 4,-0.4 0.979 114.8 41.7 -67.2 -57.7 31.3 61.6 80.6 213 17 C I H >< S+ 0 0 23 -4,-2.2 3,-1.2 1,-0.3 6,-0.4 0.842 108.6 64.4 -57.3 -32.3 28.3 62.9 78.7 214 18 C G H 3< S+ 0 0 55 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.696 85.0 74.0 -66.6 -19.0 28.4 65.9 81.0 215 19 C Q T << S+ 0 0 121 -3,-1.7 -1,-0.2 -4,-0.5 2,-0.2 0.794 94.0 58.7 -64.9 -29.8 31.7 67.0 79.6 216 20 C F S < S- 0 0 97 -3,-1.2 3,-0.3 -4,-0.4 0, 0.0 -0.654 81.1-124.1-107.0 160.1 30.3 68.2 76.3 217 21 C K S S+ 0 0 103 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.0 0.896 102.8 63.1 -64.1 -45.9 27.6 70.8 75.3 218 22 C E S S- 0 0 164 1,-0.1 -1,-0.2 3,-0.0 -4,-0.1 0.788 80.6-178.3 -51.5 -37.6 25.3 68.4 73.3 219 23 C G - 0 0 33 -6,-0.4 -1,-0.1 -3,-0.3 2,-0.1 -0.294 47.2 -4.8 68.1-153.9 24.5 66.3 76.4 220 24 C Y S S- 0 0 53 1,-0.1 2,-0.1 41,-0.1 42,-0.0 -0.391 78.9-109.4 -73.6 150.5 22.2 63.3 76.0 221 25 C F - 0 0 54 1,-0.1 -1,-0.1 -2,-0.1 44,-0.1 -0.437 43.1 -95.6 -73.5 153.8 20.6 62.6 72.6 222 26 C S >> - 0 0 47 -2,-0.1 4,-2.8 1,-0.1 3,-1.1 -0.335 47.4 -95.4 -66.1 156.5 16.8 63.2 72.6 223 27 C P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.822 124.2 47.3 -42.3 -47.5 14.8 59.9 73.1 224 28 C L H 3> S+ 0 0 19 -76,-0.2 4,-1.1 2,-0.2 -79,-0.1 0.816 115.3 45.5 -69.6 -28.9 14.3 59.1 69.5 225 29 C A H <> S+ 0 0 0 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.865 114.5 49.2 -77.4 -37.0 18.0 59.7 68.6 226 30 C X H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.875 106.1 57.1 -66.1 -40.6 19.0 57.7 71.7 227 31 C X H X S+ 0 0 4 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.879 107.0 48.9 -59.2 -38.1 16.6 55.0 70.6 228 32 C A H X S+ 0 0 2 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.749 104.6 58.7 -74.4 -25.1 18.5 54.8 67.3 229 33 C R H X S+ 0 0 34 -4,-1.1 4,-2.8 -3,-0.3 5,-0.2 0.935 107.2 47.5 -67.8 -45.7 21.9 54.6 69.1 230 34 C L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.959 111.0 50.0 -56.6 -55.0 20.7 51.5 70.9 231 35 C T H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.854 110.9 52.0 -53.9 -36.1 19.5 50.0 67.6 232 36 C E H X S+ 0 0 12 -4,-1.8 4,-1.5 1,-0.2 3,-0.3 0.967 113.3 41.5 -65.0 -53.1 22.9 50.8 66.2 233 37 C E H X S+ 0 0 13 -4,-2.8 4,-1.5 1,-0.2 22,-0.2 0.656 110.3 60.3 -69.3 -16.4 24.8 49.1 69.0 234 38 C L H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.865 101.3 53.3 -77.6 -37.5 22.3 46.2 68.9 235 39 C G H X S+ 0 0 2 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.960 109.3 47.8 -60.3 -49.9 23.2 45.5 65.3 236 40 C E H X S+ 0 0 43 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.881 113.0 47.7 -59.3 -41.4 26.9 45.3 66.1 237 41 C L H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.925 110.7 53.2 -65.8 -41.6 26.2 43.0 69.1 238 42 C A H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.896 105.0 55.4 -58.6 -41.8 24.0 40.9 66.9 239 43 C R H X S+ 0 0 101 -4,-2.5 4,-2.7 1,-0.2 3,-0.2 0.918 109.5 45.6 -58.5 -46.3 26.8 40.6 64.3 240 44 C E H X S+ 0 0 35 -4,-1.7 4,-1.5 1,-0.2 5,-0.2 0.938 110.1 52.6 -63.2 -49.0 29.2 39.1 66.9 241 45 C V H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.749 114.7 43.8 -59.7 -24.1 26.7 36.7 68.4 242 46 C N H < S+ 0 0 36 -4,-1.3 3,-0.3 -3,-0.2 -1,-0.2 0.907 111.9 52.1 -82.4 -49.2 26.0 35.4 64.8 243 47 C H H < S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.641 122.8 31.7 -59.5 -18.6 29.7 35.3 63.9 244 48 C R H < 0 0 118 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.540 360.0 360.0-121.0 -11.6 30.4 33.3 67.0 245 49 C Y < 0 0 132 -4,-0.9 -3,-0.1 -3,-0.3 -4,-0.1 -0.210 360.0 360.0-149.6 360.0 27.3 31.2 67.7 246 ! 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 62 C S > 0 0 86 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.2 35.3 41.4 72.1 248 63 C X H > + 0 0 21 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.838 360.0 58.3 -66.1 -31.3 31.9 40.2 73.2 249 64 C E H > S+ 0 0 19 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.787 106.8 47.8 -67.2 -29.0 32.6 42.2 76.3 250 65 C E H > S+ 0 0 30 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.944 111.7 46.0 -77.4 -52.3 33.0 45.3 74.2 251 66 C E H X S+ 0 0 29 -4,-2.3 4,-0.9 1,-0.2 -14,-0.2 0.709 116.6 47.3 -65.0 -19.7 29.9 45.0 72.0 252 67 C I H X S+ 0 0 0 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.791 107.3 55.5 -89.6 -31.5 27.9 44.3 75.1 253 68 C G H X S+ 0 0 1 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.873 104.5 55.4 -66.3 -34.6 29.4 47.2 77.0 254 69 C D H X S+ 0 0 34 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.926 107.8 46.3 -63.7 -46.2 28.2 49.5 74.2 255 70 C V H X S+ 0 0 1 -4,-0.9 4,-1.7 -22,-0.2 -1,-0.2 0.818 114.2 49.9 -65.4 -30.5 24.6 48.4 74.5 256 71 C L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.879 109.7 51.8 -75.6 -38.2 24.9 48.8 78.2 257 72 C F H X S+ 0 0 12 -4,-2.7 4,-2.4 2,-0.2 3,-0.5 0.989 112.5 42.6 -60.8 -62.3 26.4 52.3 77.8 258 73 C V H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.3 5,-0.2 0.908 112.3 55.4 -51.1 -45.3 23.7 53.6 75.5 259 74 C L H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.3 0.898 109.2 47.4 -57.4 -39.7 21.0 52.0 77.7 260 75 C V H X S+ 0 0 0 -4,-2.0 4,-3.2 -3,-0.5 -1,-0.2 0.910 108.9 54.3 -66.9 -42.0 22.4 53.8 80.7 261 76 C C H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.938 107.3 50.3 -55.9 -50.5 22.5 57.1 78.8 262 77 C L H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.932 112.1 47.9 -54.7 -47.4 18.8 56.8 77.9 263 78 C A H ><>S+ 0 0 0 -4,-1.9 5,-2.4 -5,-0.2 3,-1.4 0.944 111.4 49.6 -59.9 -49.1 18.0 56.1 81.6 264 79 C N H ><5S+ 0 0 26 -4,-3.2 3,-1.5 1,-0.3 -1,-0.2 0.915 107.8 54.3 -56.7 -44.4 20.1 59.1 82.8 265 80 C S H 3<5S+ 0 0 33 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.638 116.7 38.6 -66.4 -13.9 18.5 61.4 80.3 266 81 C L T <<5S- 0 0 29 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.147 110.4-115.6-121.3 15.8 15.1 60.4 81.6 267 82 C D T < 5 + 0 0 153 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.791 61.3 153.7 55.5 30.4 15.9 60.2 85.3 268 83 C I < - 0 0 21 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.2 -0.771 40.7-140.0 -90.7 130.3 15.2 56.4 85.4 269 84 C S > - 0 0 15 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 -0.822 4.0-153.6 -88.9 123.6 17.1 54.6 88.1 270 85 C L H > S+ 0 0 0 -2,-0.6 4,-3.3 2,-0.2 5,-0.2 0.864 93.8 56.9 -65.0 -31.6 18.3 51.3 86.6 271 86 C E H > S+ 0 0 27 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.947 108.8 43.3 -63.0 -52.2 18.3 49.8 90.1 272 87 C E H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 115.3 52.0 -60.9 -38.0 14.6 50.6 90.7 273 88 C A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.941 108.3 49.5 -62.7 -49.4 13.9 49.4 87.1 274 89 C H H X S+ 0 0 4 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.767 111.7 50.7 -61.5 -27.2 15.7 46.1 87.7 275 90 C D H X S+ 0 0 56 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.901 108.2 49.8 -79.3 -41.9 13.7 45.7 90.9 276 91 C R H X S+ 0 0 107 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.920 114.4 46.2 -61.8 -41.1 10.4 46.3 89.3 277 92 C V H X S+ 0 0 5 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.823 114.1 48.0 -70.8 -29.5 11.3 43.8 86.6 278 93 C X H X S+ 0 0 10 -4,-1.1 4,-2.0 -5,-0.2 -2,-0.2 0.913 109.2 52.7 -75.6 -42.9 12.5 41.3 89.2 279 94 C H H X S+ 0 0 131 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.897 105.5 55.8 -57.9 -42.7 9.4 41.7 91.3 280 95 C K H < S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.933 107.4 48.3 -56.5 -48.7 7.3 40.9 88.3 281 96 C F H < S+ 0 0 57 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 116.7 44.0 -60.5 -39.6 9.1 37.6 87.7 282 97 C N H < S+ 0 0 115 -4,-2.0 2,-0.9 2,-0.1 -2,-0.2 0.991 99.4 69.5 -69.7 -63.5 8.7 36.7 91.4 283 98 C T < 0 0 56 -4,-3.0 -1,-0.1 1,-0.3 -4,-0.0 -0.425 360.0 360.0 -60.5 100.2 5.0 37.7 91.9 284 99 C R 0 0 135 -2,-0.9 -1,-0.3 0, 0.0 -2,-0.1 0.991 360.0 360.0 63.4 360.0 3.4 35.0 89.8 285 !* 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 0.0 286 2 D S 0 0 149 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.5 -1.0 40.4 37.3 287 3 D D - 0 0 97 1,-0.0 0, 0.0 -281,-0.0 0, 0.0 -0.892 360.0-109.2-104.2 124.2 1.9 40.7 39.6 288 4 D K - 0 0 53 -2,-0.5 -282,-1.8 -283,-0.1 -281,-0.4 -0.179 24.7-127.6 -53.2 133.6 2.5 44.1 41.3 289 5 D T B >> -A 5 0A 28 -284,-0.2 3,-1.9 1,-0.1 4,-1.3 -0.608 22.7-120.9 -79.1 141.3 5.5 46.1 40.2 290 6 D X H >> S+ 0 0 1 -286,-3.1 4,-1.7 1,-0.3 3,-0.7 0.917 114.5 60.4 -50.3 -44.2 7.6 47.1 43.2 291 7 D K H 3> S+ 0 0 109 -287,-0.4 4,-1.8 1,-0.3 -1,-0.3 0.756 103.0 52.4 -54.5 -27.2 7.1 50.8 42.2 292 8 D D H <> S+ 0 0 40 -3,-1.9 4,-3.3 2,-0.2 -1,-0.3 0.816 101.3 56.6 -80.4 -34.3 3.3 50.2 42.6 293 9 D I H X S+ 0 0 67 -4,-3.3 4,-2.1 1,-0.2 3,-0.6 0.971 110.2 47.9 -56.8 -56.7 -0.2 52.1 47.0 297 13 D V H 3X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.832 111.1 52.8 -56.7 -31.5 1.4 52.8 50.3 298 14 D D H 3X S+ 0 0 80 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.843 103.8 55.5 -74.7 -31.1 1.8 56.5 49.4 299 15 D R H < S+ 0 0 13 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.948 115.3 41.4 -55.2 -61.0 -2.7 55.5 52.0 301 17 D I H ><>S+ 0 0 2 -4,-2.1 3,-1.6 1,-0.3 5,-0.6 0.887 110.9 59.7 -56.7 -40.9 -0.4 57.7 54.0 302 18 D G H ><5S+ 0 0 43 -4,-2.2 3,-0.9 1,-0.3 -1,-0.3 0.669 91.0 69.9 -64.8 -15.9 -1.3 60.7 51.8 303 19 D Q T <<5S+ 0 0 115 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.742 91.8 57.6 -75.8 -20.3 -4.9 60.3 52.8 304 20 D F T < 5S- 0 0 71 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.477 97.5-138.4 -87.6 0.3 -4.2 61.5 56.3 305 21 D K T < 5S+ 0 0 197 -3,-0.9 -3,-0.1 -4,-0.2 -2,-0.1 0.790 76.4 106.4 48.5 31.9 -2.8 64.8 55.0 306 22 D E S - 0 0 46 1,-0.1 4,-3.0 -3,-0.1 3,-0.3 -0.361 40.4-102.4 -69.4 154.5 10.2 61.7 60.5 311 27 D P H > S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.877 121.2 46.9 -46.9 -49.4 13.3 59.5 59.9 312 28 D L H > S+ 0 0 20 -263,-0.2 4,-1.5 1,-0.2 5,-0.1 0.905 114.7 47.4 -63.0 -38.2 14.1 59.0 63.5 313 29 D A H > S+ 0 0 0 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.925 109.4 53.8 -66.3 -42.4 10.5 58.2 64.4 314 30 D X H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.827 105.0 55.7 -60.0 -33.2 10.3 55.8 61.4 315 31 D X H X S+ 0 0 5 -4,-1.8 4,-3.0 -5,-0.3 -1,-0.2 0.893 104.7 51.1 -66.6 -41.0 13.4 54.0 62.8 316 32 D A H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.905 108.2 54.0 -61.5 -42.3 11.6 53.4 66.0 317 33 D R H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.927 109.7 47.3 -58.2 -46.1 8.7 52.0 64.0 318 34 D L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.969 111.7 48.2 -61.4 -53.0 11.1 49.6 62.3 319 35 D T H X S+ 0 0 4 -4,-3.0 4,-1.0 1,-0.2 -181,-0.2 0.893 112.4 54.0 -54.6 -37.3 12.7 48.5 65.6 320 36 D E H >X S+ 0 0 16 -4,-2.6 4,-1.3 -5,-0.2 3,-1.3 0.987 113.6 36.2 -58.8 -66.0 9.2 48.1 66.9 321 37 D E H 3X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.3 5,-0.2 0.815 113.9 58.8 -60.9 -30.8 7.8 45.8 64.2 322 38 D L H 3X S+ 0 0 4 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.3 0.754 105.1 52.0 -69.3 -23.3 11.2 44.1 64.0 323 39 D G H 0 0 82 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 42.1 -0.9 33.4 59.0 338 62 D S H > + 0 0 45 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.950 360.0 52.6 -65.5 -52.1 1.1 35.2 61.7 339 63 D X H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.906 109.5 51.2 -52.6 -44.0 4.5 34.9 60.3 340 64 D E H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 113.9 43.5 -62.0 -40.0 3.3 36.4 57.0 341 65 D E H X S+ 0 0 48 -4,-1.5 4,-2.4 -3,-0.3 -2,-0.2 0.902 109.8 53.6 -75.3 -39.8 1.7 39.4 58.7 342 66 D E H X S+ 0 0 31 -4,-3.2 4,-0.8 1,-0.2 -1,-0.2 0.766 112.9 48.2 -65.1 -21.1 4.6 40.1 61.1 343 67 D I H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.3 3,-0.3 0.888 108.6 50.6 -82.7 -45.3 6.7 40.2 57.9 344 68 D G H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.876 103.9 61.1 -60.0 -36.6 4.4 42.5 56.0 345 69 D D H X S+ 0 0 14 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.886 108.2 42.3 -58.5 -41.2 4.4 44.8 59.0 346 70 D V H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.3 -1,-0.2 0.938 112.6 53.3 -71.3 -44.5 8.1 45.3 58.6 347 71 D L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.859 106.4 55.2 -57.4 -36.2 7.9 45.6 54.8 348 72 D F H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 3,-0.5 0.971 109.6 43.6 -60.5 -56.3 5.3 48.3 55.3 349 73 D V H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.3 5,-0.2 0.893 112.2 55.0 -56.0 -41.5 7.5 50.5 57.4 350 74 D L H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.835 110.0 45.4 -63.3 -33.6 10.4 49.8 55.1 351 75 D V H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.5 5,-0.3 0.891 111.4 53.5 -75.1 -41.0 8.3 51.0 52.2 352 76 D C H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.937 109.6 47.0 -57.1 -50.3 7.2 54.1 54.2 353 77 D L H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.865 111.6 53.1 -60.5 -36.6 10.7 55.0 55.0 354 78 D A H ><>S+ 0 0 0 -4,-1.2 5,-2.8 -5,-0.2 3,-0.8 0.958 113.6 40.4 -64.9 -50.7 11.6 54.5 51.3 355 79 D N H ><5S+ 0 0 29 -4,-3.0 3,-2.1 1,-0.2 -2,-0.2 0.878 107.9 63.7 -64.8 -37.4 8.8 56.8 50.1 356 80 D S H 3<5S+ 0 0 33 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.760 112.0 35.9 -58.9 -26.3 9.5 59.3 52.9 357 81 D L T <<5S- 0 0 31 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.082 115.2-114.5-112.5 18.4 13.0 59.9 51.5 358 82 D D T < 5 + 0 0 154 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.898 64.0 151.9 47.3 52.3 11.9 59.6 47.9 359 83 D I < - 0 0 13 -5,-2.8 2,-0.7 -6,-0.1 -1,-0.2 -0.903 47.5-126.8-114.4 138.3 13.9 56.4 47.3 360 84 D S > - 0 0 20 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 -0.741 10.6-157.7 -84.6 117.4 13.1 53.7 44.8 361 85 D L H > S+ 0 0 2 -2,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.868 95.1 53.5 -61.0 -33.3 13.0 50.4 46.6 362 86 D E H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.975 108.8 45.7 -62.3 -58.3 13.6 48.7 43.2 363 87 D E H > S+ 0 0 74 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.821 112.8 52.8 -54.9 -34.5 16.7 50.8 42.4 364 88 D A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.848 107.9 50.9 -70.8 -36.2 18.0 50.2 45.9 365 89 D H H X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.908 107.4 52.7 -68.2 -40.9 17.5 46.5 45.4 366 90 D D H X S+ 0 0 64 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.936 106.9 54.8 -58.8 -45.9 19.5 46.6 42.2 367 91 D R H X S+ 0 0 52 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.962 110.3 43.5 -49.1 -62.9 22.3 48.4 44.0 368 92 D V H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.862 113.6 51.5 -52.9 -43.1 22.6 45.7 46.6 369 93 D X H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 104.7 56.7 -63.3 -44.3 22.4 42.9 44.1 370 94 D H H X S+ 0 0 119 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.911 108.6 47.8 -52.3 -46.5 25.1 44.5 42.0 371 95 D K H < S+ 0 0 94 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.936 109.0 50.9 -62.0 -52.3 27.5 44.3 44.9 372 96 D F H < S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.836 108.3 53.9 -57.3 -34.8 26.8 40.7 45.9 373 97 D N H < 0 0 102 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.870 360.0 360.0 -71.3 -34.4 27.4 39.5 42.4 374 98 D T < 0 0 145 -4,-1.4 -4,-0.0 -3,-0.4 0, 0.0 -0.490 360.0 360.0 -71.0 360.0 30.9 41.2 42.1 375 ! 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 0.0 376 106 D R 0 0 136 0, 0.0 -226,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.5 0.8 66.4 70.7 377 107 D K + 0 0 94 -228,-0.2 2,-0.9 1,-0.1 -227,-0.0 0.398 360.0 108.0 -84.9 2.1 3.2 66.3 67.8 378 108 D E + 0 0 44 1,-0.1 3,-0.3 -232,-0.1 -227,-0.1 -0.731 39.7 174.8 -94.5 105.0 2.1 62.8 67.1 379 109 D E > + 0 0 26 -2,-0.9 3,-2.5 -229,-0.3 -1,-0.1 0.078 33.8 138.2 -87.1 20.4 -0.0 62.3 64.0 380 110 D G G > + 0 0 6 1,-0.3 3,-1.8 -230,-0.3 4,-0.4 0.568 45.5 91.4 -46.5 -10.2 0.1 58.6 64.7 381 111 D K G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.673 77.5 74.9 -60.2 -11.8 -3.6 58.6 63.8 382 112 D L G < S+ 0 0 2 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.548 97.3 23.4 -79.4 -15.3 -1.9 57.9 60.4 383 113 D E < 0 0 3 -3,-1.8 -2,-0.1 -4,-0.0 -3,-0.1 0.836 360.0 360.0-122.4 -69.3 -0.7 54.3 60.5 384 114 D H 0 0 91 -4,-0.4 -3,-0.1 -288,-0.0 -2,-0.1 0.642 360.0 360.0 -32.4 360.0 -1.8 51.2 62.5