==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-APR-02 1GXZ . COMPND 2 MOLECULE: T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.MUELLER-DIECKMANN,G.E.SCHULZ . 446 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 13.2 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 . 2 0.4 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 . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 1 0 0 0 2 2 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 3 0 2 0 2 0 2 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 . 2 0 0 0 0 0 2 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 4 A P 0 0 121 0, 0.0 2,-0.3 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 140.2 9.6 16.2 2.1 2 5 A L E -a 129 0A 91 126,-2.9 128,-2.8 1,-0.0 2,-0.2 -0.775 360.0-109.1-111.8 158.2 6.5 15.3 4.1 3 6 A M E -a 130 0A 103 -2,-0.3 2,-0.7 126,-0.2 128,-0.2 -0.603 13.5-142.5 -90.3 146.5 2.9 15.8 3.2 4 7 A L E +a 131 0A 7 126,-2.8 128,-2.0 -2,-0.2 129,-0.2 -0.943 51.1 128.8-104.8 110.4 0.5 18.3 4.9 5 8 A D S S- 0 0 61 -2,-0.7 133,-2.7 133,-0.4 130,-0.0 -0.484 73.9 -64.0-138.6-150.7 -2.8 16.5 5.1 6 9 A T - 0 0 73 131,-0.3 133,-0.1 -2,-0.2 131,-0.1 0.304 60.9-127.5 -92.9 7.7 -5.6 15.6 7.5 7 10 A A > + 0 0 12 131,-0.2 3,-1.1 1,-0.1 132,-0.1 0.907 37.2 176.5 46.5 55.7 -3.3 13.4 9.7 8 11 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 132,-0.0 0.692 74.0 51.5 -62.9 -18.0 -5.6 10.3 9.5 9 12 A N T 3 S+ 0 0 57 79,-0.1 82,-2.8 2,-0.1 83,-0.2 0.597 85.2 107.1 -95.5 -12.0 -3.1 8.2 11.5 10 13 A A S < S- 0 0 4 -3,-1.1 2,-0.4 80,-0.2 78,-0.2 -0.399 75.9-117.2 -73.6 140.9 -2.5 10.5 14.4 11 14 A F + 0 0 0 76,-2.0 180,-0.1 1,-0.1 -1,-0.1 -0.645 43.4 167.6 -72.2 127.5 -3.9 9.8 17.9 12 15 A D + 0 0 3 -2,-0.4 -1,-0.1 180,-0.1 204,-0.1 0.142 2.0 166.4-134.9 22.5 -6.2 12.8 18.3 13 16 A D - 0 0 0 1,-0.2 206,-0.2 203,-0.1 179,-0.1 -0.103 16.5-178.7 -46.3 127.2 -8.4 12.1 21.4 14 17 A Q - 0 0 2 204,-0.6 -1,-0.2 2,-0.1 205,-0.1 0.382 38.3-130.3-105.8 -4.4 -10.2 15.1 22.7 15 18 A Y > - 0 0 3 1,-0.2 3,-0.8 203,-0.2 2,-0.6 0.923 33.8-174.6 54.3 51.3 -11.8 13.1 25.6 16 19 A E T 3 - 0 0 72 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.676 68.6 -0.2 -80.0 118.9 -15.3 14.3 24.9 17 20 A G T 3 S+ 0 0 65 -2,-0.6 -1,-0.2 1,-0.0 4,-0.1 0.505 121.5 73.3 84.2 3.3 -17.7 13.0 27.6 18 21 A a <> + 0 0 1 -3,-0.8 4,-2.6 2,-0.1 5,-0.2 0.118 50.6 118.7-135.4 24.0 -15.1 11.0 29.6 19 22 A V H > S+ 0 0 33 -4,-0.3 4,-2.3 1,-0.2 5,-0.1 0.941 83.9 41.5 -56.4 -50.8 -13.1 13.7 31.4 20 23 A N H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 113.1 53.6 -65.7 -40.6 -14.0 12.5 34.9 21 24 A K H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 112.4 44.6 -60.6 -41.2 -13.6 8.8 33.9 22 25 A M H X S+ 0 0 0 -4,-2.6 4,-3.6 2,-0.2 -1,-0.2 0.883 106.9 59.4 -70.4 -37.1 -10.0 9.6 32.6 23 26 A E H < S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.899 109.9 44.4 -54.5 -43.1 -9.2 11.7 35.7 24 27 A E H < S+ 0 0 160 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.845 122.1 35.9 -71.2 -37.7 -9.9 8.6 37.8 25 28 A K H >X S+ 0 0 93 -4,-1.6 4,-2.0 -5,-0.2 3,-0.8 0.750 96.9 78.7 -90.6 -27.7 -8.0 6.1 35.6 26 29 A A H 3X S+ 0 0 0 -4,-3.6 4,-3.1 1,-0.2 5,-0.2 0.808 85.3 61.4 -55.2 -35.9 -5.0 8.2 34.4 27 30 A P H 3> S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.923 110.2 41.3 -59.7 -40.8 -3.0 7.9 37.6 28 31 A L H <> S+ 0 0 119 -3,-0.8 4,-1.5 -4,-0.3 -2,-0.2 0.902 116.4 49.6 -70.1 -41.5 -2.8 4.1 37.1 29 32 A L H X S+ 0 0 26 -4,-2.0 4,-3.1 2,-0.2 72,-0.3 0.861 104.5 58.3 -65.7 -35.4 -2.2 4.4 33.4 30 33 A L H X S+ 0 0 10 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.926 106.5 49.0 -58.9 -43.8 0.5 6.9 33.9 31 34 A Q H X S+ 0 0 131 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.852 111.1 50.1 -63.5 -37.6 2.3 4.3 36.0 32 35 A E H X S+ 0 0 84 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.916 106.6 54.6 -68.4 -43.8 1.8 1.7 33.2 33 36 A D H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 3,-0.3 0.908 108.5 50.3 -55.0 -43.2 3.1 4.1 30.6 34 37 A F H >< S+ 0 0 34 -4,-2.0 3,-0.5 1,-0.2 7,-0.3 0.922 106.4 53.4 -61.8 -45.0 6.3 4.4 32.8 35 38 A N H 3< S+ 0 0 143 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 118.5 37.0 -61.2 -27.2 6.7 0.7 33.0 36 39 A M H 3< S+ 0 0 104 -4,-1.5 -1,-0.2 -3,-0.3 2,-0.2 0.515 124.2 43.1-100.4 -8.7 6.5 0.5 29.2 37 40 A N S+ 0 0 76 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.854 84.8 54.7 -59.6 -36.5 11.6 4.2 30.8 39 42 A K H > S+ 0 0 163 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.931 106.5 51.5 -63.8 -44.1 12.6 7.5 29.0 40 43 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.934 107.1 54.0 -56.8 -46.2 9.1 8.9 29.7 41 44 A K H X S+ 0 0 97 -4,-2.1 4,-2.2 -7,-0.3 -1,-0.2 0.910 110.7 45.7 -56.3 -42.7 9.5 8.0 33.4 42 45 A V H X S+ 0 0 92 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.936 113.2 49.4 -64.6 -47.5 12.8 10.0 33.5 43 46 A A H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.858 111.4 49.8 -61.2 -36.6 11.4 12.9 31.6 44 47 A W H X S+ 0 0 24 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.933 108.6 51.3 -69.4 -44.3 8.4 13.0 34.0 45 48 A E H X S+ 0 0 96 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.893 112.8 46.9 -60.1 -38.1 10.6 12.9 37.1 46 49 A E H X S+ 0 0 102 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.916 113.2 48.3 -67.8 -44.2 12.6 15.8 35.7 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.848 104.7 59.7 -65.8 -35.7 9.5 17.8 34.8 48 51 A K H X S+ 0 0 71 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.911 106.2 47.8 -59.4 -43.1 7.9 17.2 38.2 49 52 A K H X S+ 0 0 146 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.915 112.9 47.6 -65.2 -43.1 10.9 19.0 39.9 50 53 A R H X S+ 0 0 93 -4,-1.7 4,-2.0 1,-0.2 3,-0.4 0.928 112.9 49.4 -63.4 -45.9 10.7 21.9 37.5 51 54 A W H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.877 104.9 56.7 -62.3 -39.4 7.0 22.2 38.0 52 55 A N H < S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.7 47.6 -61.0 -30.5 7.3 22.1 41.8 53 56 A N H < S+ 0 0 121 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.888 118.1 37.0 -76.8 -41.5 9.6 25.2 41.4 54 57 A I H >< S+ 0 0 38 -4,-2.0 3,-2.2 1,-0.2 4,-0.4 0.840 97.8 74.3 -83.7 -34.5 7.4 27.2 39.0 55 58 A K G >< S+ 0 0 59 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.803 83.2 67.1 -52.9 -35.6 3.9 26.6 40.2 56 59 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.744 88.0 77.8 -59.0 -16.9 4.0 28.8 43.3 57 60 A S G < S- 0 0 72 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.1 0.951 105.0 -12.5 -55.6 -61.7 4.3 31.7 40.9 58 61 A R S < S- 0 0 214 -3,-0.5 2,-0.2 -4,-0.4 0, 0.0 -0.448 71.8 -85.5-128.2-160.2 0.7 32.1 39.8 59 62 A S - 0 0 106 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.701 30.8-152.7-111.8 165.3 -2.8 30.6 39.8 60 63 A Y - 0 0 65 -2,-0.2 3,-0.1 1,-0.1 53,-0.0 -0.916 30.0 -80.0-137.1 161.5 -4.4 28.1 37.4 61 64 A P > - 0 0 45 0, 0.0 3,-1.4 0, 0.0 2,-0.3 0.022 64.2 -76.8 -54.1 166.3 -8.0 27.3 36.2 62 65 A K T 3 S+ 0 0 198 1,-0.2 3,-0.1 50,-0.1 0, 0.0 -0.512 121.1 19.9 -69.1 128.9 -10.4 25.2 38.3 63 66 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 0.171 86.6 132.0 99.6 -19.1 -9.4 21.6 38.0 64 67 A F < + 0 0 23 -3,-1.4 -1,-0.3 48,-0.1 2,-0.2 -0.555 33.6 166.6 -71.4 121.7 -5.8 22.2 36.8 65 68 A N >> - 0 0 48 -2,-0.4 4,-2.3 -3,-0.1 3,-0.8 -0.672 52.4 -75.6-129.1-176.5 -3.4 20.1 39.0 66 69 A D H 3> S+ 0 0 64 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.785 124.8 59.1 -51.9 -34.4 0.1 18.8 39.2 67 70 A F H 3> S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.933 110.3 42.7 -62.1 -44.3 -0.5 16.2 36.4 68 71 A H H <> S+ 0 0 1 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.912 116.4 46.7 -67.9 -44.2 -1.5 19.0 34.0 69 72 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 115.1 45.7 -63.5 -47.0 1.4 21.3 35.1 70 73 A T H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.866 109.6 54.7 -64.2 -39.3 4.0 18.5 34.9 71 74 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.931 109.8 47.2 -61.9 -45.3 2.8 17.2 31.5 72 75 A L H X S+ 0 0 1 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.939 113.3 47.5 -61.4 -49.5 3.1 20.7 30.0 73 76 A V H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 107,-0.3 0.964 111.8 51.4 -55.6 -51.2 6.6 21.2 31.4 74 77 A A H >< S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.3 5,-0.5 0.806 102.8 59.3 -57.2 -33.2 7.6 17.7 30.2 75 78 A Y H 3< S+ 0 0 5 -4,-1.8 -1,-0.3 1,-0.3 5,-0.2 0.858 100.9 54.8 -66.3 -32.9 6.4 18.5 26.7 76 79 A T T << S+ 0 0 20 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.452 106.7 71.0 -78.8 2.2 8.8 21.4 26.4 77 80 A G S X S- 0 0 19 -3,-1.3 3,-1.2 -4,-0.3 4,-0.2 -0.203 108.5 -70.5-102.9-163.1 11.6 18.9 27.3 78 81 A S T > S+ 0 0 98 1,-0.2 3,-0.7 2,-0.1 4,-0.5 0.679 115.9 73.4 -67.4 -20.6 13.3 16.0 25.6 79 82 A I T 3> S+ 0 0 7 -5,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.757 77.3 85.6 -66.9 -19.8 10.4 13.6 25.7 80 83 A A H <> S+ 0 0 16 -3,-1.2 4,-3.2 -6,-0.4 5,-0.3 0.833 81.6 54.8 -47.2 -49.0 8.7 15.6 22.9 81 84 A V H <> S+ 0 0 116 -3,-0.7 4,-2.1 -4,-0.2 -1,-0.2 0.962 113.9 38.7 -55.9 -56.4 10.4 13.9 19.9 82 85 A D H > S+ 0 0 56 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.908 117.1 51.9 -63.0 -41.2 9.4 10.4 20.8 83 86 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.929 109.8 47.4 -61.7 -48.4 5.9 11.5 22.0 84 87 A N H X S+ 0 0 19 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.884 113.1 51.5 -61.5 -36.4 5.2 13.4 18.8 85 88 A R H X S+ 0 0 73 -4,-2.1 4,-3.1 -5,-0.3 -2,-0.2 0.960 109.5 47.4 -63.9 -51.1 6.4 10.3 16.9 86 89 A A H < S+ 0 0 3 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.879 114.1 48.1 -57.3 -40.7 4.2 7.9 18.8 87 90 A V H >< S+ 0 0 0 -4,-2.4 -76,-2.0 -5,-0.2 3,-1.1 0.942 113.5 47.6 -65.7 -46.6 1.2 10.2 18.3 88 91 A R H 3< S+ 0 0 112 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.896 117.8 40.3 -61.4 -43.6 1.9 10.6 14.6 89 92 A E T >X S+ 0 0 61 -4,-3.1 4,-0.9 1,-0.2 3,-0.6 0.292 82.7 116.5 -91.1 11.7 2.4 6.8 14.0 90 93 A F G X4 S+ 0 0 4 -3,-1.1 3,-1.5 -4,-0.3 6,-0.2 0.893 74.0 45.6 -46.0 -60.9 -0.5 5.7 16.3 91 94 A K G 34 S+ 0 0 94 -82,-2.8 -1,-0.2 -4,-0.3 -2,-0.1 0.814 108.9 58.7 -57.4 -30.6 -2.8 4.1 13.7 92 95 A E G <4 S+ 0 0 129 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.691 129.3 7.0 -73.3 -20.7 0.2 2.2 12.2 93 96 A N X< + 0 0 59 -3,-1.5 3,-1.9 -4,-0.9 -1,-0.2 -0.347 68.1 172.4-162.5 72.4 1.1 0.5 15.5 94 97 A P G > S+ 0 0 71 0, 0.0 3,-1.1 0, 0.0 -3,-0.1 0.755 75.9 64.2 -54.1 -34.5 -1.6 1.1 18.2 95 98 A G G 3 S+ 0 0 60 1,-0.3 -5,-0.0 -5,-0.1 -2,-0.0 0.507 95.5 61.7 -73.6 -2.1 -0.1 -1.4 20.6 96 99 A Q G < + 0 0 112 -3,-1.9 2,-1.1 -6,-0.2 -1,-0.3 0.032 67.7 115.8-111.6 26.6 3.1 0.7 20.9 97 100 A F < + 0 0 3 -3,-1.1 2,-1.0 1,-0.1 3,-0.5 -0.734 33.6 172.5 -98.4 88.1 1.5 3.9 22.3 98 101 A H + 0 0 26 -2,-1.1 -1,-0.1 1,-0.2 -58,-0.1 -0.356 61.5 77.6 -94.2 55.1 3.1 4.2 25.7 99 102 A Y > + 0 0 2 -2,-1.0 4,-3.1 -13,-0.1 5,-0.3 -0.051 48.2 134.9-149.2 28.7 1.7 7.6 26.5 100 103 A K H > S+ 0 0 36 -3,-0.5 4,-0.9 1,-0.2 -70,-0.1 0.898 85.3 26.7 -51.5 -50.7 -1.9 6.7 27.4 101 104 A A H > S+ 0 0 0 -72,-0.3 4,-2.9 2,-0.2 5,-0.3 0.850 118.5 59.6 -82.6 -36.8 -2.0 9.0 30.5 102 105 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 105.7 48.4 -56.8 -48.2 0.6 11.4 29.2 103 106 A H H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.902 112.7 50.0 -60.2 -40.9 -1.5 12.3 26.2 104 107 A Y H X S+ 0 0 0 -4,-0.9 4,-3.1 -5,-0.3 5,-0.3 0.970 111.5 45.5 -62.3 -55.4 -4.6 12.7 28.4 105 108 A Y H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.875 115.1 48.0 -58.0 -38.4 -3.0 15.0 30.9 106 109 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.933 113.5 47.3 -68.4 -45.5 -1.4 17.2 28.2 107 110 A T H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.962 113.9 47.3 -58.5 -51.8 -4.6 17.4 26.2 108 111 A R H X S+ 0 0 57 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.859 108.0 56.3 -59.9 -37.1 -6.6 18.3 29.3 109 112 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.936 109.9 45.3 -60.0 -46.4 -4.0 20.9 30.3 110 113 A L H X S+ 0 0 4 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.894 113.3 50.4 -65.4 -39.4 -4.5 22.6 27.0 111 114 A Q H < S+ 0 0 47 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.914 111.6 47.9 -65.3 -42.4 -8.3 22.4 27.3 112 115 A L H < S+ 0 0 33 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 114.1 45.8 -67.2 -37.1 -8.3 23.9 30.8 113 116 A L H < S+ 0 0 41 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 0.677 92.3 104.3 -80.6 -16.9 -6.0 26.8 29.9 114 117 A S < + 0 0 44 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4.4 26.9 223 226 A S < 0 0 65 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.1 0.406 360.0 360.0 -84.4 360.0 -11.3 5.3 29.2 224 !* 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 0.0 225 4 B P 0 0 111 0, 0.0 2,-0.3 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 134.4 25.6 23.7 42.4 226 5 B L E -i 353 0C 92 126,-2.6 128,-2.3 1,-0.0 2,-0.4 -0.694 360.0-124.3 -98.1 146.4 28.7 22.6 40.4 227 6 B M E -i 354 0C 99 -2,-0.3 128,-0.2 126,-0.2 2,-0.1 -0.724 21.2-128.1 -90.4 130.9 32.3 23.1 41.4 228 7 B L + 0 0 14 126,-2.5 128,-0.3 -2,-0.4 2,-0.2 -0.456 43.6 147.6 -72.8 150.3 34.7 25.0 39.1 229 8 B D - 0 0 81 133,-0.5 133,-2.6 -2,-0.1 -1,-0.0 -0.756 62.8 -73.5-156.9-157.3 37.9 23.2 38.3 230 9 B T - 0 0 68 131,-0.3 133,-0.1 -2,-0.2 131,-0.1 0.108 63.5-115.7-103.9 21.8 40.4 22.8 35.5 231 10 B A > + 0 0 12 131,-0.3 3,-1.3 1,-0.1 132,-0.1 0.915 42.0 179.6 46.8 58.3 38.1 20.6 33.4 232 11 B P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 132,-0.0 0.728 74.7 51.5 -61.5 -20.6 40.3 17.5 33.5 233 12 B N T 3 S+ 0 0 53 79,-0.1 82,-2.9 2,-0.1 83,-0.3 0.518 85.5 105.8 -96.5 -4.7 37.8 15.5 31.4 234 13 B A S < S- 0 0 2 -3,-1.3 2,-0.7 80,-0.2 78,-0.2 -0.499 76.3-117.0 -81.9 143.9 37.4 17.8 28.5 235 14 B F + 0 0 0 76,-2.0 180,-0.1 -2,-0.2 -1,-0.1 -0.685 44.4 166.2 -74.5 118.9 38.8 17.3 25.0 236 15 B D + 0 0 2 -2,-0.7 -1,-0.1 129,-0.1 128,-0.1 0.064 4.2 167.4-128.2 24.7 41.1 20.4 24.9 237 16 B D - 0 0 0 1,-0.1 206,-0.2 203,-0.1 179,-0.1 -0.103 17.3-177.7 -48.3 129.8 43.5 19.7 21.9 238 17 B Q - 0 0 2 204,-0.6 -1,-0.1 2,-0.1 205,-0.1 0.413 36.6-130.9-106.2 -7.8 45.5 22.8 20.8 239 18 B Y > - 0 0 4 1,-0.2 3,-1.1 203,-0.2 2,-0.7 0.888 33.7-177.6 58.6 44.8 47.1 20.9 17.9 240 19 B E T 3 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.643 70.5 3.3 -78.2 113.6 50.7 22.0 18.7 241 20 B G T 3 S+ 0 0 87 -2,-0.7 -1,-0.2 202,-0.0 -2,-0.1 0.531 120.1 72.1 92.7 6.0 53.0 20.5 16.0 242 21 B c <> + 0 0 10 -3,-1.1 4,-2.8 2,-0.1 5,-0.2 0.170 51.4 117.3-139.1 22.4 50.4 18.9 13.8 243 22 B V H > S+ 0 0 28 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.950 82.9 43.3 -56.6 -54.8 48.6 21.7 12.0 244 23 B N H > S+ 0 0 139 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.864 114.8 50.7 -61.1 -37.2 49.6 20.7 8.5 245 24 B K H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 111.1 48.9 -67.2 -39.7 48.9 17.1 9.2 246 25 B M H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.886 106.4 55.5 -67.8 -38.3 45.5 17.9 10.5 247 26 B E H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 111.6 45.3 -62.7 -34.3 44.6 20.1 7.5 248 27 B E H < S+ 0 0 142 -4,-1.4 4,-0.3 -5,-0.2 -1,-0.2 0.834 123.3 32.3 -79.8 -30.1 45.4 17.1 5.2 249 28 B K H X S+ 0 0 59 -4,-1.8 4,-2.2 1,-0.1 3,-0.4 0.686 96.9 81.2-101.2 -18.0 43.5 14.5 7.2 250 29 B A H X S+ 0 0 0 -4,-2.9 4,-3.6 1,-0.2 5,-0.3 0.849 84.8 63.4 -57.0 -35.9 40.6 16.4 8.7 251 30 B P H > S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.965 108.9 40.0 -55.1 -48.5 38.6 16.2 5.4 252 31 B L H > S+ 0 0 101 -3,-0.4 4,-1.9 -4,-0.3 3,-0.2 0.936 115.9 51.3 -63.7 -45.9 38.4 12.4 5.7 253 32 B L H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 72,-0.3 0.905 106.1 55.7 -56.6 -42.1 37.9 12.6 9.5 254 33 B L H X S+ 0 0 9 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.879 106.0 50.7 -60.0 -38.2 35.0 15.1 8.9 255 34 B Q H X S+ 0 0 113 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.899 110.0 50.7 -66.0 -37.6 33.3 12.6 6.7 256 35 B E H X S+ 0 0 88 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.900 107.7 51.9 -68.5 -38.8 33.7 10.0 9.4 257 36 B D H >X S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.2 4,-0.6 0.957 110.3 50.0 -59.1 -49.1 32.2 12.3 12.0 258 37 B F H >< S+ 0 0 35 -4,-2.3 3,-0.8 1,-0.3 7,-0.2 0.863 104.2 57.7 -57.3 -41.2 29.2 12.8 9.6 259 38 B N H 3< S+ 0 0 120 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.771 118.3 33.1 -61.8 -26.1 28.7 9.1 9.2 260 39 B M H << S+ 0 0 123 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.336 121.7 50.4-110.3 4.1 28.3 8.8 12.9 261 40 B N S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.850 84.0 55.7 -55.2 -39.1 23.6 12.9 11.3 263 42 B K H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 106.5 50.1 -61.1 -44.3 22.9 16.2 13.2 264 43 B L H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.917 108.3 53.6 -60.4 -43.6 26.4 17.5 12.6 265 44 B K H X S+ 0 0 102 -4,-1.9 4,-1.9 -7,-0.2 -1,-0.2 0.929 111.3 44.7 -58.0 -48.3 26.1 16.7 8.9 266 45 B V H X S+ 0 0 60 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.958 112.7 51.0 -62.5 -49.0 22.9 18.7 8.6 267 46 B A H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.847 108.0 53.6 -57.0 -36.3 24.2 21.6 10.6 268 47 B W H X S+ 0 0 27 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.931 106.6 51.0 -65.7 -44.2 27.3 21.7 8.4 269 48 B E H X S+ 0 0 88 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.930 113.1 46.6 -58.0 -45.5 25.3 22.0 5.2 270 49 B E H X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.923 113.2 48.6 -63.0 -44.8 23.3 24.9 6.8 271 50 B A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.876 105.4 57.6 -64.5 -38.6 26.5 26.6 8.0 272 51 B K H X S+ 0 0 117 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.879 104.4 53.1 -59.3 -40.5 28.2 26.3 4.6 273 52 B K H X S+ 0 0 115 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.961 113.4 42.0 -57.7 -53.9 25.3 28.2 3.0 274 53 B R H X S+ 0 0 69 -4,-1.6 4,-2.2 1,-0.2 3,-0.5 0.907 114.1 52.1 -61.3 -44.4 25.7 31.0 5.5 275 54 B W H X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.916 107.2 52.2 -60.3 -44.2 29.5 31.0 5.2 276 55 B N H < S+ 0 0 60 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.769 111.2 50.2 -64.7 -22.3 29.3 31.2 1.5 277 56 B N H < S+ 0 0 123 -4,-1.1 4,-0.3 -3,-0.5 -2,-0.2 0.869 115.1 38.9 -82.7 -38.9 27.1 34.2 1.9 278 57 B I H >< S+ 0 0 26 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.806 103.2 65.4 -85.2 -28.9 29.2 36.2 4.3 279 58 B K G >< S+ 0 0 61 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.804 82.6 75.3 -66.9 -30.0 32.7 35.6 3.1 280 59 B P G 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.869 99.6 44.5 -49.6 -41.1 32.5 37.4 -0.2 281 60 B S G < S+ 0 0 98 -3,-0.6 2,-0.3 -4,-0.3 -2,-0.1 0.118 109.8 66.5 -93.4 23.1 32.6 40.8 1.4 282 61 B R < - 0 0 162 -3,-2.1 2,-0.4 2,-0.0 -4,-0.0 -0.947 65.3-133.0-143.5 163.0 35.5 40.1 3.8 283 62 B S - 0 0 107 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.892 23.9-162.2-114.0 144.7 39.2 39.3 4.2 284 63 B Y - 0 0 65 -2,-0.4 3,-0.1 4,-0.1 53,-0.0 -0.816 31.0 -79.3-125.0 164.3 40.5 36.6 6.4 285 64 B P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.212 62.6 -87.2 -57.6 150.4 43.9 35.6 8.0 286 65 B K T 3 S+ 0 0 206 1,-0.3 3,-0.1 50,-0.1 0, 0.0 -0.383 118.8 23.4 -60.4 134.7 46.4 33.9 5.7 287 66 B G T 3 S+ 0 0 55 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.163 86.7 133.8 94.3 -18.7 45.7 30.2 5.8 288 67 B F < - 0 0 24 -3,-2.2 -1,-0.3 48,-0.1 2,-0.2 -0.537 35.9-179.4 -68.7 118.3 42.1 30.6 6.9 289 68 B N > - 0 0 48 -2,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.488 42.8 -88.8-114.0-174.9 39.9 28.3 4.7 290 69 B D H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.776 121.6 56.9 -66.4 -28.7 36.3 27.3 4.2 291 70 B F H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.8 45.7 -68.8 -41.9 36.5 24.5 6.7 292 71 B H H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.933 115.9 46.3 -64.2 -46.6 37.5 27.0 9.4 293 72 B G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 114.9 45.6 -61.8 -46.2 34.8 29.5 8.3 294 73 B T H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.839 110.9 52.9 -67.9 -35.0 32.1 26.9 8.1 295 74 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.924 110.2 49.0 -66.3 -42.8 33.0 25.4 11.4 296 75 B L H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.942 112.9 45.9 -61.1 -50.8 32.8 28.8 13.1 297 76 B V H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 107,-0.4 0.936 112.1 52.2 -57.5 -48.1 29.4 29.6 11.6 298 77 B A H ><>S+ 0 0 2 -4,-2.5 3,-2.2 1,-0.3 5,-0.5 0.860 100.5 62.1 -58.0 -37.8 28.1 26.2 12.5 299 78 B Y H 3<5S+ 0 0 2 -4,-2.1 5,-0.3 1,-0.3 -1,-0.3 0.848 98.5 56.4 -58.6 -33.3 29.2 26.6 16.1 300 79 B T T <<5S+ 0 0 15 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.326 103.8 71.7 -82.2 9.8 26.9 29.6 16.5 301 80 B G T X 5S- 0 0 17 -3,-2.2 3,-1.0 -146,-0.1 4,-0.2 -0.193 109.7 -67.7-105.4-158.3 24.0 27.3 15.4 302 81 B S T > 5S+ 0 0 56 1,-0.2 3,-0.6 -147,-0.2 4,-0.5 0.645 116.4 73.5 -71.1 -16.9 22.1 24.5 17.1 303 82 B I T 3> S+ 0 0 15 -3,-1.0 4,-3.2 -6,-0.4 5,-0.3 0.856 84.1 58.3 -53.5 -41.3 26.9 23.8 19.9 305 84 B V H <> S+ 0 0 119 -3,-0.6 4,-1.9 -4,-0.2 -1,-0.2 0.957 114.3 35.1 -56.6 -54.6 24.8 22.2 22.8 306 85 B D H > S+ 0 0 36 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.882 118.0 54.0 -68.2 -36.6 25.6 18.6 21.8 307 86 B F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 110.2 45.6 -61.9 -47.4 29.2 19.6 20.7 308 87 B N H X S+ 0 0 16 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.888 113.0 51.8 -64.7 -38.5 30.0 21.2 24.0 309 88 B R H X S+ 0 0 71 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.965 110.6 46.6 -62.2 -52.3 28.5 18.3 25.9 310 89 B A H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.1 48.5 -58.0 -41.9 30.6 15.7 24.0 311 90 B V H >< S+ 0 0 0 -4,-2.4 -76,-2.0 1,-0.2 3,-1.3 0.941 112.0 49.3 -63.8 -45.8 33.8 17.8 24.5 312 91 B R H 3< S+ 0 0 111 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.869 117.8 39.5 -60.2 -39.3 33.1 18.2 28.2 313 92 B E T 3X S+ 0 0 61 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.3 0.173 83.4 115.9 -99.0 19.2 32.4 14.5 28.7 314 93 B F T <4 S+ 0 0 4 -3,-1.3 3,-0.3 1,-0.2 -80,-0.2 0.924 71.7 49.4 -53.7 -57.1 35.2 13.3 26.4 315 94 B K T 4 S+ 0 0 117 -82,-2.9 -1,-0.2 -4,-0.3 -81,-0.1 0.843 110.9 53.0 -54.7 -35.7 37.5 11.5 28.9 316 95 B E T 4 S+ 0 0 135 -83,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.893 130.3 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