==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-MAR-11 3QYH . COMPND 2 MOLECULE: CO-TYPE NITRILE HYDRATASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.R.BRODKIN,W.R.P.NOVAK,D.RINGE,G.A.PETSKO . 1678 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1067 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 6.7 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 0.2 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 . 3 0.2 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 . 93 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 189 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 478 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.6 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 8 11 12 12 0 8 1 0 0 8 3 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 6 0 8 0 0 4 4 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 . 4 0 0 0 0 0 2 2 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 7 A H 0 0 236 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 19.1 7.2 -49.2 -9.8 2 8 A D - 0 0 129 1,-0.1 2,-0.4 2,-0.0 7,-0.1 -0.440 360.0 -89.9 -72.2 162.9 7.1 -45.8 -11.4 3 9 A H + 0 0 74 5,-0.2 7,-0.4 1,-0.2 -1,-0.1 -0.633 58.4 159.3 -68.7 131.0 8.4 -43.0 -9.3 4 10 A H S S- 0 0 95 -2,-0.4 -1,-0.2 5,-0.1 5,-0.0 0.676 71.4 -1.6-120.9 -42.2 5.5 -41.6 -7.3 5 11 A H S S+ 0 0 63 210,-0.2 122,-0.6 3,-0.0 -2,-0.1 0.093 98.7 97.9-143.6 24.4 6.7 -39.6 -4.3 6 12 A D S S- 0 0 20 120,-0.1 120,-0.2 121,-0.1 123,-0.1 0.376 101.3 -99.9 -98.6 5.2 10.4 -39.8 -4.3 7 13 A G S S+ 0 0 11 259,-0.2 263,-0.3 118,-0.1 116,-0.1 0.162 111.7 78.6 101.0 -16.7 10.9 -36.4 -6.0 8 14 A Y + 0 0 10 261,-0.1 -5,-0.2 2,-0.1 261,-0.1 0.248 59.7 125.9-111.3 9.7 11.5 -37.8 -9.5 9 15 A Q S S- 0 0 12 1,-0.1 -5,-0.1 -7,-0.1 260,-0.0 -0.223 72.5 -89.3 -61.7 160.1 7.9 -38.5 -10.5 10 16 A A - 0 0 85 -7,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.519 39.6-127.6 -76.6 138.6 6.7 -37.0 -13.8 11 17 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 257,-0.1 -0.367 43.8 -73.6 -73.5 163.4 5.1 -33.5 -13.6 12 18 A P > - 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.223 43.1-119.3 -53.7 148.1 1.7 -32.9 -15.1 13 19 A E T 3 S+ 0 0 116 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.776 112.1 46.0 -65.7 -28.0 1.7 -32.7 -18.9 14 20 A D T >> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.1 3,-0.6 0.277 78.9 110.0 -97.4 13.3 0.5 -29.1 -19.0 15 21 A I H <> S+ 0 0 7 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.885 73.4 54.4 -61.9 -41.6 2.8 -27.8 -16.3 16 22 A A H 3> S+ 0 0 55 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.858 109.5 49.3 -60.7 -35.0 5.0 -25.6 -18.6 17 23 A L H <> S+ 0 0 134 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.902 109.7 50.4 -70.4 -43.1 1.9 -23.8 -19.9 18 24 A R H X S+ 0 0 83 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 112.2 48.3 -58.1 -45.4 0.6 -23.2 -16.4 19 25 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.931 110.6 50.0 -64.0 -45.8 3.9 -21.7 -15.5 20 26 A K H X S+ 0 0 121 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.885 109.5 52.7 -58.5 -40.8 4.1 -19.5 -18.6 21 27 A A H X S+ 0 0 42 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.931 111.5 44.8 -62.0 -46.7 0.6 -18.2 -17.9 22 28 A L H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.940 113.0 51.7 -63.8 -45.5 1.5 -17.2 -14.3 23 29 A E H X S+ 0 0 32 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.931 109.9 48.2 -57.2 -48.7 4.7 -15.7 -15.4 24 30 A S H X S+ 0 0 52 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.906 111.9 51.3 -57.3 -45.4 3.0 -13.6 -18.1 25 31 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 111.1 46.0 -55.1 -49.8 0.4 -12.4 -15.6 26 32 A L H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-1.0 0.874 114.5 48.0 -69.5 -34.4 3.0 -11.4 -13.0 27 33 A I H ><5S+ 0 0 59 -4,-2.4 3,-1.0 -5,-0.2 -1,-0.2 0.930 110.6 51.5 -67.4 -45.0 5.0 -9.5 -15.6 28 34 A E H 3<5S+ 0 0 57 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.880 109.8 49.3 -59.3 -39.5 1.9 -7.8 -17.0 29 35 A K H 3<5S- 0 0 22 -4,-2.2 275,-2.4 273,-0.2 274,-0.3 0.619 115.6-117.4 -75.4 -13.0 0.9 -6.6 -13.5 30 36 A G T <<5S+ 0 0 0 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.708 79.4 123.5 82.5 21.6 4.5 -5.3 -13.0 31 37 A L S - 0 0 40 275,-0.5 4,-2.3 -2,-0.3 3,-0.4 -0.934 9.8-154.9-110.7 113.0 11.1 -8.3 -13.9 34 40 A P H > S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.819 94.3 56.8 -59.7 -33.6 12.1 -11.1 -16.3 35 41 A A H > S+ 0 0 48 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.900 109.0 45.8 -65.9 -39.9 15.6 -9.8 -16.7 36 42 A A H > S+ 0 0 0 -3,-0.4 4,-1.8 272,-0.2 3,-0.3 0.918 110.3 54.6 -67.1 -41.9 16.2 -9.9 -13.0 37 43 A M H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.892 103.7 55.2 -57.2 -41.4 14.7 -13.4 -12.9 38 44 A D H X S+ 0 0 95 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.872 106.7 51.7 -59.4 -37.5 17.2 -14.5 -15.6 39 45 A L H X S+ 0 0 59 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.856 107.3 52.2 -69.1 -34.2 20.0 -13.4 -13.3 40 46 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.961 110.7 47.6 -63.8 -48.7 18.6 -15.4 -10.5 41 47 A V H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.920 111.5 50.1 -57.6 -47.0 18.5 -18.5 -12.6 42 48 A Q H X>S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 5,-0.9 0.861 107.0 57.2 -58.7 -37.4 22.1 -17.9 -13.9 43 49 A T H X>S+ 0 0 24 -4,-1.8 5,-2.3 1,-0.2 4,-1.4 0.949 115.4 33.4 -60.1 -50.4 23.3 -17.5 -10.3 44 50 A Y H <5S+ 0 0 8 -4,-1.9 75,-0.3 3,-0.2 -2,-0.2 0.722 121.2 49.5 -82.9 -22.0 22.0 -20.9 -9.2 45 51 A E H <5S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.880 132.6 5.9 -77.5 -39.7 22.7 -22.7 -12.5 46 52 A H H <5S+ 0 0 23 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.640 129.4 40.1-122.4 -21.8 26.3 -21.5 -13.0 47 53 A K T <> S- 0 0 15 -2,-0.5 3,-2.5 66,-0.3 4,-0.5 -0.968 78.9 -58.5-176.5-178.0 27.0 -24.8 -6.0 50 56 A P H 3> S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.628 114.4 76.4 -58.8 -18.4 29.0 -27.4 -4.0 51 57 A R H 3> S+ 0 0 119 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.816 93.3 56.8 -61.1 -27.3 32.4 -26.3 -5.3 52 58 A N H X> S+ 0 0 22 -3,-2.5 4,-1.8 2,-0.2 3,-0.5 0.978 107.9 43.2 -64.1 -58.3 31.9 -23.4 -2.9 53 59 A G H 3X S+ 0 0 0 63,-2.5 4,-2.6 -4,-0.5 -2,-0.2 0.887 109.2 59.9 -52.6 -40.2 31.6 -25.6 0.1 54 60 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.7 62,-0.3 -1,-0.2 0.871 103.9 50.1 -60.9 -36.3 34.5 -27.8 -1.1 55 61 A K H X - 0 0 51 -4,-2.1 4,-2.5 -5,-0.2 3,-0.6 -0.830 56.7-173.1-130.3 93.4 44.7 -24.1 7.9 64 70 A P H 3> S+ 0 0 105 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.784 89.0 55.5 -58.5 -30.5 43.9 -24.8 11.6 65 71 A A H 3> S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.898 109.9 45.8 -68.7 -39.3 43.4 -21.1 12.3 66 72 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.8 -7,-0.2 5,-0.2 0.942 110.5 53.8 -67.1 -47.1 40.7 -20.8 9.6 67 73 A K H X S+ 0 0 60 -4,-2.5 4,-2.6 -7,-0.3 5,-0.2 0.913 108.9 50.1 -48.9 -47.0 39.1 -24.1 10.8 68 74 A A H X S+ 0 0 60 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.915 111.6 46.3 -63.1 -44.1 38.8 -22.5 14.3 69 75 A R H X S+ 0 0 106 -4,-1.9 4,-2.2 2,-0.2 8,-0.3 0.900 112.4 52.5 -61.2 -39.5 37.3 -19.3 13.0 70 76 A L H < S+ 0 0 1 -4,-2.8 23,-0.4 1,-0.2 7,-0.2 0.909 110.4 45.7 -67.0 -42.0 34.9 -21.3 10.8 71 77 A L H < S+ 0 0 61 -4,-2.6 3,-0.3 -5,-0.2 -1,-0.2 0.809 114.3 50.0 -73.3 -25.5 33.7 -23.5 13.7 72 78 A A H < S+ 0 0 88 -4,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.830 132.4 8.5 -78.7 -34.9 33.3 -20.4 15.9 73 79 A D X - 0 0 87 -4,-2.2 4,-2.8 -5,-0.1 -1,-0.3 -0.758 65.0-173.5-151.0 97.1 31.3 -18.4 13.4 74 80 A G H > S+ 0 0 4 17,-0.7 4,-2.9 -3,-0.3 5,-0.3 0.878 85.4 51.3 -63.5 -41.8 30.1 -20.3 10.3 75 81 A T H > S+ 0 0 41 16,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.940 114.6 42.4 -64.7 -46.7 28.7 -17.3 8.5 76 82 A A H > S+ 0 0 47 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.919 113.6 55.1 -65.3 -43.1 31.9 -15.2 9.0 77 83 A G H >< S+ 0 0 1 -4,-2.8 3,-1.0 -8,-0.3 4,-0.4 0.935 110.6 41.7 -54.7 -53.3 34.0 -18.2 8.1 78 84 A I H ><>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 3,-1.5 0.849 107.1 64.1 -69.2 -28.8 32.4 -18.9 4.8 79 85 A A H ><5S+ 0 0 39 -4,-1.9 3,-1.8 -5,-0.3 -1,-0.2 0.754 87.0 72.1 -63.0 -23.5 32.3 -15.2 4.0 80 86 A E T <<5S+ 0 0 62 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.765 101.3 44.0 -61.5 -25.8 36.2 -15.3 4.0 81 87 A L T < 5S- 0 0 32 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.200 128.4 -99.6-103.2 14.2 36.0 -17.1 0.7 82 88 A G T < 5S+ 0 0 34 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.584 79.8 134.1 84.2 11.9 33.3 -14.8 -0.6 83 89 A F < + 0 0 24 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.3 -0.815 25.5 117.2-100.3 132.7 30.3 -17.0 0.1 84 90 A S + 0 0 52 -2,-0.4 2,-0.3 31,-0.1 236,-0.1 -0.981 27.7 54.2-173.3 165.9 27.2 -15.5 1.7 85 91 A G > + 0 0 3 234,-0.3 3,-2.4 -2,-0.3 233,-0.2 -0.729 67.9 49.2 112.7-144.1 23.5 -14.7 1.5 86 92 A V T 3 S+ 0 0 28 231,-2.5 234,-0.1 -2,-0.3 -2,-0.1 -0.103 122.7 0.1 -51.5 123.6 20.2 -16.2 0.8 87 93 A Q T 3 S+ 0 0 23 27,-0.1 27,-0.6 26,-0.1 -1,-0.3 0.675 127.0 68.4 68.0 21.8 19.6 -19.4 2.8 88 94 A G < + 0 0 1 -3,-2.4 3,-0.5 25,-0.2 -3,-0.3 0.102 55.9 118.7-146.4 27.0 23.0 -19.2 4.4 89 95 A E S S+ 0 0 33 1,-0.3 2,-0.4 -4,-0.1 233,-0.1 0.847 86.4 29.2 -63.7 -35.5 22.6 -16.1 6.7 90 96 A D S S- 0 0 36 72,-0.4 74,-2.2 -15,-0.1 -1,-0.3 -0.721 84.3-176.6-131.4 83.1 23.2 -18.0 9.9 91 97 A M E -a 164 0A 8 -3,-0.5 -17,-0.7 -2,-0.4 -16,-0.6 -0.552 13.2-168.3 -89.1 142.3 25.5 -21.0 9.2 92 98 A V E -a 165 0A 30 72,-2.8 74,-1.6 -2,-0.2 2,-0.4 -0.995 13.9-146.8-128.2 125.0 26.7 -23.6 11.6 93 99 A I E -a 166 0A 13 -2,-0.4 2,-0.7 -23,-0.4 74,-0.2 -0.800 7.0-149.4 -97.6 133.0 29.5 -26.0 10.6 94 100 A L E -a 167 0A 7 72,-2.7 74,-3.0 -2,-0.4 2,-0.7 -0.872 9.6-147.0-109.5 108.2 29.4 -29.6 11.8 95 101 A E E -a 168 0A 75 -2,-0.7 2,-0.2 72,-0.2 5,-0.1 -0.644 6.5-148.1 -80.6 113.6 32.8 -31.2 12.4 96 102 A N + 0 0 7 72,-2.2 5,-0.2 -2,-0.7 98,-0.0 -0.505 24.8 173.3 -72.3 147.5 33.0 -34.9 11.7 97 103 A T - 0 0 40 3,-2.3 3,-0.4 -2,-0.2 73,-0.1 -0.860 51.7 -88.8-145.0 171.6 35.5 -36.7 13.9 98 104 A P S S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.763 129.7 42.5 -59.3 -21.5 36.5 -40.3 14.6 99 105 A A S S+ 0 0 63 1,-0.2 54,-1.9 53,-0.1 2,-0.4 0.673 116.2 44.2 -96.5 -20.7 33.8 -40.3 17.3 100 106 A V E -b 153 0B 14 -3,-0.4 -3,-2.3 52,-0.2 2,-0.6 -0.986 53.3-166.6-135.6 127.4 31.0 -38.5 15.5 101 107 A H E -b 154 0B 0 52,-3.3 54,-3.0 -2,-0.4 2,-0.3 -0.965 19.4-159.5-108.6 118.4 29.4 -38.6 12.1 102 108 A N E +b 155 0B 5 -2,-0.6 2,-0.3 52,-0.2 54,-0.2 -0.695 17.0 165.7 -94.8 148.5 27.1 -35.6 11.3 103 109 A V E -b 156 0B 0 52,-1.8 54,-2.7 -2,-0.3 2,-0.3 -0.964 17.8-148.9-156.6 146.4 24.4 -35.5 8.7 104 110 A F E +b 157 0B 0 89,-1.8 2,-0.3 -2,-0.3 54,-0.2 -0.856 17.0 167.0-125.9 163.6 21.5 -33.0 8.2 105 111 A V E -b 158 0B 0 52,-2.2 54,-2.9 -2,-0.3 2,-0.4 -0.932 32.2-131.1-156.8 164.8 18.0 -33.1 6.8 106 112 A C > - 0 0 0 18,-0.4 3,-0.6 -2,-0.3 24,-0.1 -0.851 22.4-179.9-125.7 96.9 14.9 -30.8 6.8 107 113 A T T 3 S+ 0 0 0 -2,-0.4 102,-1.1 1,-0.2 -1,-0.1 0.852 81.3 50.3 -66.6 -30.0 12.0 -33.1 7.8 108 114 A L T 3 S- 0 0 4 100,-0.2 -1,-0.2 101,-0.1 52,-0.1 0.680 132.7 -41.1 -83.9 -17.8 9.5 -30.3 7.5 109 115 A X S < S- 0 0 28 -3,-0.6 -3,-0.2 2,-0.1 21,-0.1 -0.069 86.2 -56.5-167.6 -88.5 10.5 -29.1 4.0 110 116 A S + 0 0 10 49,-0.2 15,-0.1 -5,-0.1 -3,-0.1 0.298 55.4 164.9-166.7 10.4 13.8 -28.6 2.2 111 117 A X + 0 0 8 48,-0.2 48,-0.2 14,-0.0 -2,-0.1 -0.163 16.9 153.7 -56.6 132.9 16.0 -26.2 4.2 112 118 A Y - 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0 0 44 -2,-0.8 4,-1.1 1,-0.1 5,-0.1 -0.458 34.0-113.5 -87.3 160.9 31.8 -34.3 -2.7 189 195 A R H >> S+ 0 0 70 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.958 119.4 53.5 -53.6 -48.9 28.4 -32.7 -2.2 190 196 A D H 3>>S+ 0 0 34 1,-0.3 4,-2.4 2,-0.2 5,-1.6 0.853 102.1 58.3 -56.5 -36.2 27.3 -35.9 -0.3 191 197 A S H 345S+ 0 0 0 1,-0.2 -1,-0.3 4,-0.2 -2,-0.2 0.798 107.7 47.1 -66.0 -25.6 30.3 -35.5 2.0 192 198 A M H <<5S+ 0 0 0 -3,-1.2 -25,-2.9 -4,-1.1 -1,-0.2 0.574 114.1 45.6 -91.7 -13.5 29.1 -32.0 3.0 193 199 A I H <5S- 0 0 0 -4,-1.1 -89,-1.8 -3,-0.5 -2,-0.2 0.745 114.5-117.0 -88.3 -30.4 25.5 -33.2 3.6 194 200 A G T <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -4,-0.1 0.445 88.8 108.5 104.5 5.8 26.8 -36.2 5.6 195 201 A T S - 0 0 17 -2,-2.3 3,-1.6 1,-0.0 54,-0.1 -0.372 69.3 -92.7-104.4 178.4 -0.1 -32.2 8.1 206 4 B I T 3 S+ 0 0 55 1,-0.3 52,-0.1 52,-0.2 -2,-0.0 0.681 116.4 70.1 -64.8 -20.8 1.5 -34.6 5.6 207 5 B H T 3 S+ 0 0 6 51,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.691 77.0 84.1 -67.6 -23.3 4.6 -32.3 5.4 208 6 B D < + 0 0 22 -3,-1.6 -100,-0.2 1,-0.2 -1,-0.2 -0.598 58.8 158.4 -83.3 81.6 5.6 -33.3 8.9 209 7 B T > + 0 0 2 -2,-1.8 3,-2.6 -102,-1.1 -1,-0.2 0.637 16.0 126.4 -85.7 -19.8 7.4 -36.4 7.7 210 8 B G T 3 S+ 0 0 11 1,-0.3 -79,-0.2 -3,-0.2 145,-0.2 -0.176 84.1 6.5 -56.6 124.1 9.8 -37.3 10.5 211 9 B G T 3 S+ 0 0 20 -80,-2.4 -1,-0.3 1,-0.3 -79,-0.1 0.333 92.6 139.4 90.8 -6.9 9.3 -40.9 11.6 212 10 B A < - 0 0 33 -3,-2.6 -1,-0.3 -85,-0.1 2,-0.3 -0.368 38.3-148.9 -69.0 149.7 6.8 -41.9 8.9 213 11 B H + 0 0 170 1,-0.1 -1,-0.0 2,-0.1 -81,-0.0 -0.769 66.1 50.7-110.1 161.8 7.0 -45.3 7.2 214 12 B G + 0 0 73 -2,-0.3 -1,-0.1 -86,-0.0 -2,-0.0 0.432 68.3 108.6 97.8 -1.7 6.1 -46.4 3.7 215 13 B Y - 0 0 29 1,-0.2 -210,-0.2 -3,-0.2 -86,-0.1 0.644 68.3-154.0 -84.2 -15.6 7.9 -43.8 1.6 216 14 B G - 0 0 30 -88,-0.1 -1,-0.2 -89,-0.1 -84,-0.1 -0.228 35.6 -2.8 87.2-165.9 10.4 -46.3 0.4 217 15 B P - 0 0 94 0, 0.0 2,-1.4 0, 0.0 -88,-0.1 -0.234 67.1-112.7 -64.1 150.8 14.0 -46.2 -0.8 218 16 B V - 0 0 9 -90,-0.2 2,-0.2 -78,-0.1 -2,-0.1 -0.703 39.6-165.3 -83.5 86.9 15.9 -43.0 -1.3 219 17 B Y - 0 0 86 -2,-1.4 2,-0.4 -96,-0.1 -90,-0.1 -0.549 4.7-168.9 -71.5 138.8 16.2 -43.0 -5.1 220 18 B R - 0 0 58 -2,-0.2 -213,-0.0 -98,-0.1 -2,-0.0 -0.999 20.5-126.6-134.6 130.4 18.7 -40.5 -6.4 221 19 B E > - 0 0 52 -2,-0.4 3,-1.0 1,-0.1 2,-0.2 -0.613 29.3-122.0 -77.1 126.5 19.2 -39.4 -10.1 222 20 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.477 92.7 3.6 -64.6 136.4 22.9 -39.8 -11.2 223 21 B N T 3 S- 0 0 169 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.881 89.1-167.2 57.6 40.3 24.4 -36.5 -12.5 224 22 B E < - 0 0 32 -3,-1.0 -1,-0.2 1,-0.1 2,-0.1 -0.396 12.2-133.5 -64.4 128.1 21.2 -34.6 -11.6 225 23 B P - 0 0 65 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.405 20.5-113.1 -75.6 162.9 21.2 -31.1 -13.0 226 24 B V S S+ 0 0 65 1,-0.3 2,-0.5 -181,-0.2 -181,-0.1 0.944 110.8 29.1 -59.3 -48.6 20.2 -28.0 -10.9 227 25 B F - 0 0 11 1,-0.1 -1,-0.3 -182,-0.1 3,-0.1 -0.962 65.6-172.5-116.6 120.9 17.1 -27.6 -13.0 228 26 B R S S+ 0 0 51 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.687 76.3 28.0 -86.5 -18.3 15.6 -30.7 -14.5 229 27 B Y S >> S- 0 0 76 1,-0.1 4,-0.6 -213,-0.0 3,-0.6 -0.980 77.0-123.4-137.4 152.2 13.0 -28.9 -16.6 230 28 B D H >> S+ 0 0 118 -2,-0.3 3,-1.2 1,-0.2 4,-1.0 0.878 110.0 60.6 -58.9 -40.5 12.9 -25.3 -18.1 231 29 B W H 3> S+ 0 0 18 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.820 95.3 64.1 -60.6 -29.1 9.6 -24.4 -16.3 232 30 B E H <> S+ 0 0 12 -3,-0.6 4,-2.8 1,-0.2 -1,-0.3 0.835 95.3 58.4 -61.9 -33.0 11.4 -25.0 -12.9 233 31 B K H < S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.944 111.1 49.6 -59.1 -44.2 12.4 -21.0 -8.7 237 35 B S H 3X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.3 -1,-0.2 0.727 99.3 67.5 -73.7 -18.6 13.3 -17.4 -9.8 238 36 B L H 3X S+ 0 0 1 -4,-1.4 4,-2.7 -3,-0.4 -1,-0.3 0.823 89.1 67.2 -66.6 -30.5 9.8 -16.1 -8.9 239 37 B L H S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.874 115.2 55.2 -62.7 -33.8 13.1 -14.1 -4.6 241 39 B A H X S+ 0 0 2 -4,-1.1 4,-1.5 2,-0.2 67,-0.3 0.943 112.8 40.2 -63.7 -43.5 11.2 -11.7 -6.9 242 40 B L H X>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 4,-0.5 0.867 114.6 51.3 -76.9 -36.6 8.0 -12.0 -4.9 243 41 B L H ><5S+ 0 0 56 -4,-2.7 3,-1.3 -5,-0.3 -1,-0.2 0.901 106.7 55.9 -62.0 -40.8 9.7 -12.0 -1.5 244 42 B A H 3<5S+ 0 0 15 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.884 104.1 53.8 -61.0 -38.5 11.6 -8.8 -2.6 245 43 B N H 3<5S- 0 0 28 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.705 111.9-123.8 -62.4 -20.7 8.2 -7.1 -3.3 246 44 B G T <<5 + 0 0 58 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.762 64.4 144.2 74.7 25.3 7.1 -8.0 0.2 247 45 B N S - 0 0 58 -2,-0.3 4,-1.8 127,-0.1 5,-0.1 -0.582 34.1-104.2-101.9 174.2 7.1 -13.6 4.1 250 48 B L H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.825 118.5 55.6 -71.1 -31.4 8.8 -16.9 4.1 251 49 B D H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 109.3 46.9 -66.3 -41.5 6.8 -18.2 7.1 252 50 B E H > S+ 0 0 24 124,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.875 110.6 54.8 -63.2 -38.5 3.6 -17.6 5.2 253 51 B F H X S+ 0 0 9 -4,-1.8 4,-1.7 1,-0.2 3,-0.3 0.959 108.9 46.4 -61.2 -50.6 5.2 -19.2 2.2 254 52 B R H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.913 112.8 49.5 -58.0 -43.9 6.0 -22.4 4.1 255 53 B H H X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.779 103.8 59.8 -72.2 -26.0 2.5 -22.6 5.7 256 54 B S H < S+ 0 0 1 -4,-1.8 3,-0.3 -3,-0.3 -1,-0.2 0.915 107.5 46.1 -62.7 -42.9 0.9 -22.1 2.3 257 55 B I H >< S+ 0 0 19 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.916 108.5 56.8 -63.9 -42.4 2.6 -25.3 1.1 258 56 B E H 3< S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.3 -52,-0.2 0.784 104.7 54.4 -57.9 -28.9 1.6 -27.0 4.4 259 57 B R T 3< S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.386 82.2 108.8 -91.7 1.6 -2.0 -26.2 3.6 260 58 B M S < S- 0 0 17 -3,-1.7 5,-0.1 -4,-0.2 -3,-0.0 -0.351 88.5 -77.0 -75.6 160.7 -2.2 -27.8 0.1 261 59 B G > - 0 0 27 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.355 42.1-125.7 -57.2 139.4 -4.2 -31.0 -0.3 262 60 B P H > S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.872 110.1 46.9 -57.9 -43.4 -2.2 -34.0 1.1 263 61 B A H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.900 111.9 52.0 -65.2 -38.9 -2.4 -36.0 -2.2 264 62 B H H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.933 109.0 50.5 -59.2 -47.1 -1.4 -32.9 -4.1 265 63 B Y H < S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.6 44.1 -56.9 -44.7 1.6 -32.4 -1.8 266 64 B L H < S+ 0 0 51 -4,-2.1 -259,-0.2 -5,-0.2 -2,-0.2 0.934 118.6 40.5 -68.3 -47.3 2.7 -36.0 -2.3 267 65 B E H < S+ 0 0 123 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.799 96.5 93.4 -75.3 -30.6 2.2 -36.2 -6.1 268 66 B G S < S- 0 0 10 -4,-2.6 -259,-0.1 -5,-0.3 -261,-0.1 -0.398 75.8-126.8 -68.0 136.1 3.6 -32.8 -6.9 269 67 B T >> - 0 0 2 -2,-0.1 3,-1.2 1,-0.1 4,-1.0 -0.340 42.7 -90.5 -68.4 166.3 7.3 -32.4 -7.8 270 68 B Y H >> S+ 0 0 37 -263,-0.3 3,-1.2 1,-0.3 4,-1.0 0.885 125.2 46.1 -51.7 -52.9 9.1 -29.9 -5.7 271 69 B Y H 3> S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.678 101.4 67.9 -72.7 -12.3 8.6 -26.8 -7.8 272 70 B E H <> S+ 0 0 25 -3,-1.2 4,-2.0 2,-0.2 -1,-0.3 0.843 96.9 55.6 -67.0 -32.6 4.9 -27.6 -8.2 273 71 B L H X>S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.9 0.934 109.8 49.4 -60.4 -46.5 1.9 -21.1 -3.3 278 76 B F H 3X5S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.909 113.2 47.1 -61.4 -39.7 2.2 -18.4 -6.0 279 77 B E H 3<5S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.712 127.9 23.5 -73.5 -21.2 -1.3 -19.2 -7.4 280 78 B N H XX5S+ 0 0 64 -4,-1.4 4,-2.5 -3,-0.6 3,-0.5 0.808 118.1 50.7-115.6 -50.1 -3.0 -19.3 -4.0 281 79 B L H 3X5S+ 0 0 6 -4,-2.3 4,-2.4 -5,-0.3 6,-0.2 0.868 108.1 56.9 -63.1 -34.1 -1.1 -17.2 -1.4 282 80 B L H 3 - 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0 0 32 -88,-0.1 -1,-0.2 -89,-0.1 -84,-0.1 -0.221 35.6 -3.2 86.8-166.8 42.8 7.4 -32.9 639 15 D P - 0 0 58 0, 0.0 2,-1.5 0, 0.0 -88,-0.1 -0.233 67.3-112.2 -63.1 149.2 41.6 7.4 -29.3 640 16 D V - 0 0 10 -90,-0.2 2,-0.2 -78,-0.1 -2,-0.1 -0.683 39.9-165.5 -82.2 87.3 41.1 4.1 -27.3 641 17 D Y - 0 0 32 -2,-1.5 2,-0.4 -96,-0.1 -90,-0.1 -0.541 5.1-169.4 -70.7 141.1 37.4 4.1 -27.1 642 18 D R - 0 0 56 -2,-0.2 -213,-0.0 281,-0.1 -2,-0.0 -0.998 20.5-125.8-138.4 132.0 36.0 1.7 -24.5 643 19 D E > - 0 0 51 -2,-0.4 3,-0.9 1,-0.1 2,-0.1 -0.631 27.2-124.6 -78.0 127.5 32.4 0.6 -23.9 644 20 D P T 3 S+ 0 0 42 0, 0.0 279,-0.1 0, 0.0 -1,-0.1 -0.463 92.9 5.6 -61.2 138.3 31.2 1.0 -20.3 645 21 D N T 3 S- 0 0 159 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.880 89.0-168.6 56.0 40.6 29.9 -2.3 -18.7 646 22 D E < - 0 0 30 -3,-0.9 -1,-0.2 1,-0.1 2,-0.1 -0.462 12.4-135.0 -67.7 127.9 31.0 -4.2 -21.8 647 23 D P - 0 0 63 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.418 20.2-113.2 -77.6 161.7 29.5 -7.8 -21.8 648 24 D V S S+ 0 0 61 1,-0.2 2,-0.5 -181,-0.2 -181,-0.1 0.932 110.8 28.7 -56.3 -48.5 31.7 -10.8 -22.7 649 25 D F - 0 0 12 1,-0.1 -1,-0.2 -182,-0.1 3,-0.1 -0.971 65.4-172.2-119.5 120.0 29.7 -11.3 -25.8 650 26 D R S S+ 0 0 50 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.690 76.5 27.8 -86.9 -18.7 28.1 -8.2 -27.4 651 27 D Y S >> S- 0 0 76 1,-0.1 3,-0.9 -213,-0.0 4,-0.6 -0.987 77.1-123.4-136.5 151.9 26.0 -10.2 -30.0 652 28 D D H >> S+ 0 0 120 -2,-0.3 3,-1.3 1,-0.2 4,-1.1 0.879 109.7 61.1 -59.1 -40.0 24.6 -13.8 -30.0 653 29 D W H 3> S+ 0 0 20 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.811 95.2 64.1 -59.8 -27.6 26.4 -14.7 -33.2 654 30 D E H <> S+ 0 0 12 -3,-0.9 4,-2.7 1,-0.2 -1,-0.3 0.815 95.2 58.4 -64.7 -30.6 29.7 -14.1 -31.4 655 31 D K H < S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.923 110.6 49.4 -58.6 -43.2 34.0 -18.0 -30.3 659 35 D S H 3X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.741 99.0 67.7 -74.9 -19.3 33.0 -21.6 -29.3 660 36 D L H 3X S+ 0 0 2 -4,-1.4 4,-2.7 -3,-0.5 5,-0.3 0.832 89.3 66.9 -67.0 -29.4 33.9 -23.0 -32.8 661 37 D L H S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 115.6 54.6 -62.2 -35.9 38.2 -24.8 -29.4 663 39 D A H X S+ 0 0 3 -4,-1.3 4,-1.5 2,-0.2 67,-0.3 0.935 112.5 40.9 -61.1 -46.2 36.0 -27.3 -31.2 664 40 D L H X>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-0.6 0.876 114.8 51.4 -75.1 -35.4 38.0 -27.1 -34.4 665 41 D L H ><5S+ 0 0 57 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.910 106.2 55.7 -62.8 -40.9 41.4 -27.0 -32.7 666 42 D A H 3<5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 104.4 53.4 -60.8 -36.7 40.4 -30.1 -30.7 667 43 D N H 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.673 111.8-123.3 -65.5 -19.7 39.7 -31.9 -34.0 668 44 D G T <<5 + 0 0 58 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.794 64.5 144.9 73.4 30.0 43.2 -31.0 -35.2 669 45 D N S - 0 0 58 -2,-0.3 4,-2.0 127,-0.1 5,-0.1 -0.616 34.0-104.5-103.1 171.4 46.9 -25.4 -35.4 672 48 D L H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.842 118.3 55.4 -67.4 -34.6 46.9 -22.0 -33.7 673 49 D D H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 109.8 46.8 -63.2 -43.3 49.9 -20.7 -35.7 674 50 D E H > S+ 0 0 25 124,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.870 110.5 55.0 -60.9 -38.6 48.0 -21.5 -39.0 675 51 D F H X S+ 0 0 8 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.956 108.9 46.1 -61.8 -49.5 45.0 -19.8 -37.4 676 52 D R H X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.921 112.4 49.9 -60.3 -43.3 46.9 -16.6 -36.7 677 53 D H H X S+ 0 0 14 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.785 103.7 59.6 -70.8 -27.4 48.4 -16.5 -40.2 678 54 D S H < S+ 0 0 1 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.916 107.4 46.4 -63.3 -43.1 45.0 -17.0 -41.8 679 55 D I H >< S+ 0 0 19 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.925 108.8 56.1 -61.8 -43.4 43.8 -13.8 -40.1 680 56 D E H 3< S+ 0 0 10 -4,-2.1 -51,-0.2 1,-0.3 -1,-0.2 0.796 104.3 55.3 -58.8 -29.0 47.1 -12.1 -41.2 681 57 D R T 3< S+ 0 0 103 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.378 82.2 108.6 -89.7 3.8 46.3 -13.0 -44.8 682 58 D M S < S- 0 0 19 -3,-1.8 5,-0.0 1,-0.1 -3,-0.0 -0.365 88.0 -77.3 -78.1 162.2 42.8 -11.4 -45.0 683 59 D G > - 0 0 27 1,-0.1 4,-2.9 2,-0.1 5,-0.2 -0.335 41.3-125.8 -58.6 140.1 42.3 -8.3 -47.1 684 60 D P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.884 110.3 46.8 -59.1 -43.2 43.7 -5.2 -45.2 685 61 D A H > S+ 0 0 66 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.903 112.3 51.6 -63.9 -39.9 40.4 -3.3 -45.5 686 62 D H H > S+ 0 0 135 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.932 109.1 50.6 -59.4 -47.9 38.5 -6.4 -44.3 687 63 D Y H < S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 114.6 44.0 -57.4 -45.2 40.8 -6.8 -41.3 688 64 D L H < S+ 0 0 48 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.931 118.7 40.5 -65.6 -47.3 40.3 -3.1 -40.4 689 65 D E H < S+ 0 0 117 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.810 96.3 93.1 -75.9 -30.9 36.5 -3.0 -40.9 690 66 D G S < S- 0 0 9 -4,-2.7 -261,-0.1 -5,-0.3 -259,-0.1 -0.404 76.1-126.4 -67.4 136.3 35.7 -6.4 -39.4 691 67 D T >> - 0 0 2 -2,-0.1 3,-1.2 1,-0.1 4,-1.0 -0.347 43.0 -90.5 -67.4 164.7 34.8 -6.7 -35.7 692 68 D Y H >> S+ 0 0 37 -263,-0.3 3,-1.3 1,-0.3 4,-1.0 0.884 124.9 46.2 -49.2 -53.1 37.0 -9.2 -33.8 693 69 D Y H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.699 101.3 67.4 -75.3 -12.5 34.9 -12.3 -34.3 694 70 D E H <> S+ 0 0 25 -3,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.845 97.2 55.9 -66.5 -31.5 34.4 -11.6 -38.0 695 71 D L H S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.9 0.914 109.8 49.9 -55.6 -46.6 39.4 -18.2 -40.8 700 76 D F H X5S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.906 112.9 46.4 -62.5 -37.8 36.8 -20.9 -40.4 701 77 D E H <5S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.725 128.0 24.4 -76.2 -22.0 35.4 -20.2 -43.9 702 78 D N H X5S+ 0 0 63 -4,-1.4 4,-2.6 -3,-0.4 3,-0.4 0.807 117.9 50.6-113.0 -50.4 38.8 -20.1 -45.6 703 79 D L H X5S+ 0 0 5 -4,-2.4 4,-2.5 -5,-0.3 6,-0.2 0.883 108.0 56.9 -63.2 -36.1 41.4 -22.1 -43.6 704 80 D L H 45S+ 0 0 49 -3,-0.4 3,-1.8 4,-0.2 -2,-0.2 0.931 111.2 51.5 -72.5 -46.1 38.9 -25.1 -47.3 706 82 D E H 3<5S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.862 110.3 50.0 -57.0 -37.2 42.7 -24.6 -47.6 707 83 D K T 3<5S- 0 0 94 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.466 114.4-117.9 -81.3 -3.8 43.2 -27.6 -45.2 708 84 D G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.1 0.616 82.7 118.7 76.5 10.8 40.8 -29.8 -47.3 709 85 D V S - 0 0 66 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.626 26.6-113.6 -89.9 162.2 35.4 -28.4 -50.0 712 88 D A H > S+ 0 0 67 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.856 120.0 56.5 -61.6 -33.0 34.7 -25.0 -51.6 713 89 D T H > S+ 0 0 100 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.900 103.6 51.7 -64.8 -43.1 31.4 -26.6 -52.7 714 90 D E H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.911 111.9 46.8 -61.6 -42.3 30.4 -27.5 -49.1 715 91 D V H < S+ 0 0 50 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.919 114.3 48.0 -67.0 -39.8 31.0 -23.9 -48.0 716 92 D A H < S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 120.7 35.2 -66.9 -45.9 29.1 -22.5 -51.0 717 93 D T H < S- 0 0 85 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.783 96.1-136.3 -77.5 -27.5 26.1 -24.8 -50.6 718 94 D G < + 0 0 20 -4,-2.3 2,-0.4 -5,-0.3 -3,-0.2 0.557 69.2 113.7 79.0 7.8 26.2 -24.9 -46.8 719 95 D K S S- 0 0 124 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.910 74.0-110.5-120.0 140.0 25.6 -28.6 -47.0 720 96 D A - 0 0 12 -2,-0.4 3,-0.5 1,-0.1 4,-0.1 -0.361 23.3-133.2 -60.8 139.6 27.8 -31.6 -46.1 721 97 D A S S+ 0 0 80 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.894 98.5 5.3 -60.9 -39.4 29.0 -33.5 -49.2 722 98 D S S S- 0 0 91 1,-0.5 -1,-0.2 -271,-0.0 -2,-0.0 -0.186 105.8-103.4-145.5 44.7 28.1 -36.8 -47.7 723 99 D G S S- 0 0 31 -3,-0.5 2,-1.2 1,-0.1 -1,-0.5 -0.234 83.9 -8.5 66.7-154.5 26.3 -36.3 -44.3 724 100 D K + 0 0 128 1,-0.2 -272,-0.2 -3,-0.1 -273,-0.2 -0.629 69.9 148.7 -85.8 95.0 28.0 -36.9 -41.0 725 101 D T + 0 0 96 -2,-1.2 2,-0.3 -274,-0.7 -1,-0.2 0.563 58.9 59.7-102.8 -14.7 31.4 -38.4 -41.9 726 102 D A S S- 0 0 26 -275,-2.1 -273,-0.1 -3,-0.2 -272,-0.1 -0.698 71.0-140.5-110.1 165.9 33.3 -36.9 -39.0 727 103 D T - 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0 0 42 -2,-0.8 4,-1.0 1,-0.1 5,-0.1 -0.461 33.9-113.5 -87.8 161.0 31.4 26.1 -13.1 1032 195 E R H >> S+ 0 0 68 1,-0.2 3,-1.4 2,-0.2 4,-1.0 0.950 119.1 54.0 -54.2 -49.0 28.2 24.5 -12.0 1033 196 E D H >>>S+ 0 0 39 1,-0.3 4,-2.5 2,-0.2 5,-1.4 0.836 102.0 58.0 -58.0 -33.5 26.3 27.6 -13.2 1034 197 E S H 345S+ 0 0 0 1,-0.2 -1,-0.3 4,-0.2 -2,-0.2 0.785 107.4 47.7 -68.5 -25.2 27.9 27.2 -16.6 1035 198 E M H <<5S+ 0 0 0 -3,-1.4 -25,-2.9 -4,-1.0 -1,-0.2 0.583 114.1 45.3 -91.3 -11.7 26.4 23.8 -16.9 1036 199 E I H <<5S- 0 0 0 -4,-1.0 -89,-1.9 -3,-0.5 -2,-0.2 0.732 113.9-116.8 -90.9 -31.0 22.9 24.9 -15.7 1037 200 E G T <5S+ 0 0 0 -4,-2.5 -3,-0.2 -91,-0.2 -4,-0.1 0.434 89.2 108.2 106.9 3.5 23.1 27.9 -18.1 1038 201 E T S - 0 0 17 -2,-2.3 3,-1.7 1,-0.1 54,-0.1 -0.393 69.2 -94.0-101.5 175.9 -1.7 24.0 -7.6 1049 4 F I T 3 S+ 0 0 59 1,-0.3 52,-0.1 52,-0.2 -1,-0.1 0.698 116.4 70.3 -60.9 -21.5 0.9 26.4 -6.2 1050 5 F H T 3 S+ 0 0 4 51,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.721 77.3 83.6 -68.6 -22.9 3.7 24.0 -7.4 1051 6 F D < + 0 0 23 -3,-1.7 -100,-0.2 1,-0.2 -1,-0.2 -0.592 59.2 158.7 -82.8 81.4 2.9 25.0 -11.0 1052 7 F T > + 0 0 2 -2,-1.8 3,-2.5 -102,-1.2 -1,-0.2 0.616 15.4 126.9 -86.4 -18.7 5.0 28.1 -10.8 1053 8 F G T 3 S+ 0 0 12 1,-0.3 -79,-0.2 -3,-0.1 145,-0.2 -0.193 83.9 6.2 -55.7 125.7 5.9 29.0 -14.4 1054 9 F G T 3 S+ 0 0 18 -80,-2.6 -1,-0.3 1,-0.3 -79,-0.1 0.357 92.5 140.1 88.4 -5.7 4.9 32.6 -15.2 1055 10 F A < - 0 0 33 -3,-2.5 -1,-0.3 -85,-0.1 2,-0.3 -0.373 37.8-149.5 -68.5 151.1 3.9 33.6 -11.7 1056 11 F H + 0 0 171 1,-0.1 -1,-0.0 2,-0.1 -81,-0.0 -0.785 65.9 51.6-112.1 161.4 4.9 37.1 -10.3 1057 12 F G + 0 0 72 -2,-0.3 -1,-0.1 -86,-0.0 -2,-0.0 0.429 69.0 107.8 100.3 -1.8 5.7 38.2 -6.8 1058 13 F Y - 0 0 27 1,-0.2 -210,-0.2 -3,-0.2 -86,-0.1 0.637 68.4-152.6 -85.4 -14.9 8.3 35.6 -5.8 1059 14 F G - 0 0 31 -88,-0.1 -1,-0.2 -89,-0.1 -84,-0.1 -0.226 35.8 -3.9 86.9-166.0 11.1 38.1 -5.9 1060 15 F P - 0 0 91 0, 0.0 2,-1.6 0, 0.0 -88,-0.1 -0.220 66.7-112.0 -66.7 151.1 14.9 38.0 -6.5 1061 16 F V - 0 0 6 -90,-0.2 2,-0.2 -78,-0.1 -2,-0.1 -0.666 39.3-164.9 -82.6 88.5 16.7 34.8 -7.0 1062 17 F Y - 0 0 87 -2,-1.6 2,-0.4 -96,-0.1 -90,-0.1 -0.568 4.1-168.2 -72.6 136.9 18.8 34.8 -3.8 1063 18 F R - 0 0 87 -2,-0.2 -213,-0.0 -98,-0.1 -2,-0.0 -0.995 19.4-126.9-128.9 126.6 21.7 32.3 -3.9 1064 19 F E > - 0 0 47 -2,-0.4 3,-0.9 1,-0.1 2,-0.1 -0.514 29.5-113.5 -74.7 135.4 23.7 31.4 -0.8 1065 20 F P T 3 S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.418 93.6 -2.6 -66.7 138.8 27.5 31.8 -1.1 1066 21 F N T 3 S- 0 0 166 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.889 89.3-161.9 49.8 46.0 29.5 28.5 -1.0 1067 22 F E < - 0 0 30 -3,-0.9 -1,-0.2 1,-0.1 2,-0.1 -0.400 7.7-135.6 -66.4 127.4 26.3 26.5 -0.4 1068 23 F P - 0 0 66 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.407 20.6-113.4 -76.6 161.7 27.0 23.0 1.0 1069 24 F V S S+ 0 0 62 1,-0.2 2,-0.5 -181,-0.2 -181,-0.1 0.952 110.1 28.6 -57.6 -50.3 25.1 20.0 -0.3 1070 25 F F - 0 0 12 1,-0.1 -1,-0.2 -182,-0.1 3,-0.1 -0.955 66.0-171.8-115.1 120.8 23.3 19.6 3.0 1071 26 F R S S+ 0 0 49 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.691 76.2 27.2 -85.6 -18.3 22.7 22.7 5.0 1072 27 F Y S >> S- 0 0 78 1,-0.1 3,-0.8 -213,-0.0 4,-0.7 -0.987 77.6-122.2-139.0 151.8 21.4 20.9 8.1 1073 28 F D H >> S+ 0 0 122 -2,-0.3 4,-1.0 1,-0.2 3,-0.9 0.850 110.2 60.7 -60.0 -35.4 22.0 17.4 9.5 1074 29 F W H 3> S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.812 95.4 63.4 -65.5 -27.5 18.3 16.5 9.4 1075 30 F E H <> S+ 0 0 10 -3,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.828 96.0 58.3 -63.6 -33.2 18.3 17.1 5.6 1076 31 F K H < S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.932 110.7 49.7 -57.0 -46.7 17.2 13.0 1.5 1080 35 F S H 3X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.3 -1,-0.2 0.736 99.4 67.4 -71.6 -21.3 18.5 9.4 2.1 1081 36 F L H 3X S+ 0 0 1 -4,-1.4 4,-2.8 -3,-0.4 5,-0.3 0.817 89.0 67.1 -63.2 -30.6 15.1 8.1 3.0 1082 37 F L H S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.855 115.7 55.0 -62.3 -31.8 16.0 6.0 -2.4 1084 39 F A H X S+ 0 0 2 -4,-1.1 4,-1.4 2,-0.2 67,-0.4 0.938 112.4 40.4 -65.9 -44.4 15.4 3.7 0.6 1085 40 F L H X>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 4,-0.5 0.902 115.0 51.1 -74.0 -39.4 11.6 3.9 0.3 1086 41 F L H ><5S+ 0 0 57 -4,-2.8 3,-1.4 -5,-0.3 -1,-0.2 0.889 106.4 56.2 -59.9 -40.6 11.5 3.8 -3.5 1087 42 F A H 3<5S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 104.3 52.9 -62.9 -37.0 13.7 0.7 -3.4 1088 43 F N H 3<5S- 0 0 15 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.629 112.4-123.1 -62.5 -19.9 11.1 -1.0 -1.2 1089 44 F G T <<5 + 0 0 41 -3,-1.4 -3,-0.2 -4,-0.5 -784,-0.1 0.748 64.2 145.0 72.0 26.7 8.5 -0.2 -3.8 1090 45 F N S - 0 0 34 -2,-0.3 4,-2.0 127,-0.1 5,-0.1 -0.600 34.2-104.2-103.1 171.2 6.5 5.3 -7.2 1093 48 F L H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.807 118.5 55.0 -66.5 -31.8 8.1 8.7 -8.1 1094 49 F D H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 109.6 47.2 -67.1 -43.0 4.9 10.0 -9.8 1095 50 F E H > S+ 0 0 26 124,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.879 110.5 54.5 -61.8 -39.2 2.9 9.3 -6.6 1096 51 F F H X S+ 0 0 8 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.950 108.9 46.8 -60.4 -48.7 5.8 11.0 -4.7 1097 52 F R H X S+ 0 0 6 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.894 112.6 49.2 -60.4 -41.7 5.5 14.2 -6.8 1098 53 F H H X S+ 0 0 13 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.765 103.8 60.3 -74.0 -24.7 1.7 14.4 -6.6 1099 54 F S H < S+ 0 0 1 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.929 107.7 45.4 -65.1 -43.2 1.9 13.9 -2.8 1100 55 F I H >< S+ 0 0 20 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.902 108.7 56.8 -62.7 -40.6 4.0 17.2 -2.7 1101 56 F E H 3< S+ 0 0 10 -4,-1.8 -51,-0.2 1,-0.3 -1,-0.2 0.803 104.3 54.7 -61.8 -28.5 1.5 18.8 -5.0 1102 57 F R T 3< S+ 0 0 100 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.372 82.4 110.2 -89.7 4.5 -1.3 18.1 -2.6 1103 58 F M S < S- 0 0 16 -3,-1.7 -3,-0.0 -4,-0.1 13,-0.0 -0.333 87.6 -77.2 -76.4 162.9 0.2 19.7 0.4 1104 59 F G > - 0 0 28 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.389 42.4-126.1 -57.4 137.3 -1.3 22.9 1.8 1105 60 F P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.877 110.0 46.0 -55.3 -44.6 -0.3 25.9 -0.4 1106 61 F A H > S+ 0 0 64 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.882 112.3 52.3 -67.5 -36.9 1.1 27.9 2.5 1107 62 F H H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.940 108.9 50.4 -59.3 -48.5 2.9 24.8 3.8 1108 63 F Y H < S+ 0 0 18 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.899 114.9 43.8 -56.7 -44.0 4.5 24.3 0.3 1109 64 F L H < S+ 0 0 49 -4,-2.1 -259,-0.2 -5,-0.2 -2,-0.2 0.940 118.5 41.0 -70.3 -45.6 5.6 27.9 0.2 1110 65 F E H < S+ 0 0 120 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.798 96.6 93.5 -74.9 -30.6 7.0 28.2 3.8 1111 66 F G S < S- 0 0 10 -4,-2.7 -259,-0.1 -5,-0.3 -261,-0.1 -0.403 75.7-127.4 -67.6 135.8 8.6 24.7 3.8 1112 67 F T >> - 0 0 2 -2,-0.1 3,-1.3 -261,-0.1 4,-0.9 -0.347 42.9 -89.4 -67.9 165.6 12.3 24.4 2.9 1113 68 F Y H >> S+ 0 0 38 -263,-0.3 3,-1.3 1,-0.3 4,-1.0 0.879 125.3 45.5 -50.6 -50.4 12.9 21.8 0.2 1114 69 F Y H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.671 101.0 68.7 -76.0 -11.1 13.4 18.7 2.4 1115 70 F E H <> S+ 0 0 24 -3,-1.3 4,-2.0 2,-0.2 -1,-0.3 0.812 96.3 55.8 -67.9 -29.3 10.4 19.6 4.5 1116 71 F L H X>S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.9 0.937 110.0 50.0 -57.6 -47.9 5.4 12.9 1.7 1121 76 F F H 3X5S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.893 113.2 45.9 -59.3 -38.8 7.0 10.3 3.9 1122 77 F E H 3<5S+ 0 0 34 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.704 128.5 24.3 -79.2 -17.7 4.6 11.2 6.8 1123 78 F N H 45S+ 0 0 46 -3,-0.3 3,-1.3 4,-0.2 -2,-0.2 0.922 111.1 51.1 -71.5 -44.3 -0.1 6.4 5.5 1127 82 F E H 3<5S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.856 109.9 50.7 -59.1 -35.8 -2.2 6.7 2.3 1128 83 F K T 3<5S- 0 0 94 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.503 115.1-116.7 -82.2 -3.3 -0.4 3.6 0.8 1129 84 F G T < 5S+ 0 0 64 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.616 85.3 116.7 79.0 12.3 -1.2 1.6 4.0 1130 85 F V S - 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