==== 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 3QYG . 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) . 66105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1058 63.1 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 . 108 6.4 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 . 2 0.1 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 . 96 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 468 27.9 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 12 12 12 0 8 0 0 4 4 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 . 4 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 4 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 7 A H 0 0 146 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-144.7 6.9 -49.2 -10.6 2 8 A D - 0 0 131 1,-0.1 2,-0.3 7,-0.0 7,-0.1 -0.543 360.0 -90.9 -95.3 165.0 7.1 -45.5 -11.4 3 9 A H + 0 0 72 5,-0.2 7,-0.4 -2,-0.2 -1,-0.1 -0.642 53.7 159.8 -67.9 132.9 8.5 -42.6 -9.3 4 10 A H S S- 0 0 92 -2,-0.3 -1,-0.2 5,-0.1 5,-0.0 0.661 71.3 -1.1-123.5 -43.2 5.5 -41.3 -7.4 5 11 A H S S+ 0 0 60 210,-0.2 122,-0.7 3,-0.0 -2,-0.1 0.156 98.8 97.0-141.8 18.0 6.7 -39.3 -4.4 6 12 A D S S- 0 0 21 120,-0.1 120,-0.2 121,-0.1 123,-0.1 0.342 101.1-101.3 -94.8 7.0 10.5 -39.4 -4.4 7 13 A G S S+ 0 0 12 259,-0.2 263,-0.3 118,-0.1 116,-0.1 0.241 110.6 80.5 95.5 -12.0 10.9 -36.0 -6.1 8 14 A Y + 0 0 11 261,-0.1 -5,-0.2 2,-0.1 261,-0.1 0.300 59.6 123.7-112.5 8.4 11.6 -37.5 -9.6 9 15 A Q S S- 0 0 11 1,-0.1 -5,-0.1 -7,-0.1 260,-0.0 -0.233 74.0 -86.6 -63.6 158.5 8.0 -38.3 -10.6 10 16 A A - 0 0 86 -7,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.494 40.3-127.0 -73.5 133.3 6.7 -36.7 -13.8 11 17 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 257,-0.1 -0.298 44.7 -75.4 -67.7 161.7 5.3 -33.2 -13.7 12 18 A P > - 0 0 47 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.226 42.7-116.8 -55.9 150.8 1.8 -32.6 -15.1 13 19 A E T 3 S+ 0 0 114 1,-0.3 3,-0.3 2,-0.1 0, 0.0 0.789 113.3 43.7 -62.7 -29.5 1.7 -32.5 -19.0 14 20 A D T >> S+ 0 0 85 1,-0.2 4,-1.9 2,-0.1 3,-0.7 0.288 78.7 111.0-100.7 11.8 0.5 -28.9 -19.0 15 21 A I H <> S+ 0 0 7 -3,-1.4 4,-2.3 1,-0.2 5,-0.2 0.850 73.3 55.1 -58.5 -40.3 2.9 -27.5 -16.3 16 22 A A H 3> S+ 0 0 47 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.849 108.8 49.1 -64.0 -34.2 5.0 -25.3 -18.6 17 23 A L H <> S+ 0 0 128 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.896 109.3 51.7 -69.5 -42.7 1.9 -23.5 -19.9 18 24 A R H X S+ 0 0 82 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.918 111.5 47.8 -57.9 -44.4 0.6 -22.9 -16.3 19 25 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.914 111.6 49.2 -65.6 -43.8 4.0 -21.4 -15.4 20 26 A K H X S+ 0 0 133 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.874 109.0 53.7 -62.2 -38.8 4.1 -19.2 -18.5 21 27 A A H X S+ 0 0 41 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.923 111.9 43.5 -62.1 -45.6 0.6 -18.0 -17.8 22 28 A L H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.914 112.2 53.3 -68.0 -41.9 1.5 -16.9 -14.3 23 29 A E H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 109.7 47.8 -59.3 -47.0 4.7 -15.3 -15.4 24 30 A S H X S+ 0 0 67 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.918 111.4 51.9 -57.5 -46.4 3.0 -13.2 -18.0 25 31 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.951 111.6 45.4 -55.2 -50.6 0.4 -12.2 -15.5 26 32 A L H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 6,-1.1 0.841 114.8 48.1 -67.3 -33.7 3.1 -11.1 -13.0 27 33 A I H ><5S+ 0 0 58 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.918 110.4 51.4 -69.8 -43.6 5.0 -9.3 -15.7 28 34 A E H 3<5S+ 0 0 51 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.861 110.0 49.1 -62.5 -37.7 1.9 -7.5 -17.0 29 35 A K T 3<5S- 0 0 21 -4,-2.1 275,-2.0 -5,-0.2 -1,-0.3 0.613 115.3-116.7 -76.9 -12.4 1.0 -6.3 -13.5 30 36 A G T < 5S+ 0 0 0 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.697 79.2 124.2 82.1 21.9 4.5 -5.0 -12.9 31 37 A L S - 0 0 40 275,-0.4 4,-2.4 -2,-0.3 3,-0.5 -0.934 8.8-155.4-114.6 111.4 11.2 -8.1 -13.8 34 40 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.872 94.6 55.2 -54.1 -42.6 12.2 -10.8 -16.4 35 41 A A H > S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.897 109.6 46.0 -60.3 -42.1 15.7 -9.5 -16.7 36 42 A A H > S+ 0 0 0 -3,-0.5 4,-2.0 272,-0.2 -1,-0.2 0.906 109.9 55.1 -65.5 -41.9 16.3 -9.7 -13.0 37 43 A M H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.879 104.0 54.7 -57.4 -40.8 14.8 -13.2 -12.9 38 44 A D H X S+ 0 0 101 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.873 106.7 51.2 -61.0 -39.1 17.3 -14.3 -15.6 39 45 A L H X S+ 0 0 61 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.887 108.1 52.1 -66.4 -38.8 20.1 -13.1 -13.4 40 46 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 5,-0.2 0.956 110.7 47.7 -60.1 -49.7 18.7 -15.1 -10.5 41 47 A V H X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.927 111.3 50.2 -55.9 -50.0 18.6 -18.2 -12.6 42 48 A Q H X>S+ 0 0 62 -4,-2.5 4,-2.6 1,-0.2 5,-1.0 0.867 106.1 58.1 -56.0 -39.3 22.2 -17.7 -13.9 43 49 A T H X>S+ 0 0 26 -4,-2.1 5,-2.3 1,-0.2 4,-1.0 0.928 115.8 32.4 -58.8 -47.3 23.3 -17.2 -10.3 44 50 A Y H <5S+ 0 0 10 -4,-1.7 75,-0.3 3,-0.2 -1,-0.2 0.643 120.4 52.2 -89.5 -13.8 22.1 -20.6 -9.1 45 51 A E H <5S+ 0 0 60 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.831 133.1 1.3 -86.1 -34.3 22.7 -22.3 -12.5 46 52 A H H <5S+ 0 0 26 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.632 129.7 44.7-128.4 -23.9 26.4 -21.3 -12.9 47 53 A K T < S- 0 0 16 -2,-0.5 3,-2.6 66,-0.3 4,-0.5 -0.970 77.8 -64.3-173.4 176.9 27.1 -24.6 -6.1 50 56 A P T 3> S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.615 114.1 77.9 -57.0 -16.7 29.0 -27.2 -4.0 51 57 A R H 3> S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.835 90.9 58.3 -59.2 -31.6 32.4 -26.0 -5.4 52 58 A N H <> S+ 0 0 23 -3,-2.6 4,-1.6 2,-0.2 3,-0.3 0.962 107.6 42.1 -60.4 -55.4 31.9 -23.2 -2.9 53 59 A G H > S+ 0 0 0 63,-2.4 4,-2.8 -4,-0.5 -2,-0.2 0.878 108.7 61.1 -59.6 -39.5 31.7 -25.4 0.1 54 60 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 62,-0.3 -1,-0.2 0.903 103.6 49.9 -54.9 -42.1 34.5 -27.5 -1.2 55 61 A K H X S+ 0 0 71 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.2 0.900 109.7 51.6 -64.6 -39.3 36.8 -24.5 -1.1 56 62 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.942 112.1 46.0 -60.0 -48.2 35.7 -23.9 2.5 57 63 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.937 111.9 50.2 -61.0 -49.8 36.5 -27.5 3.5 58 64 A A H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.918 111.3 48.6 -56.8 -46.1 39.9 -27.5 1.7 59 65 A K H X S+ 0 0 18 -4,-2.3 4,-1.8 1,-0.2 8,-0.3 0.909 110.7 50.6 -61.6 -43.1 41.0 -24.3 3.4 60 66 A A H < S+ 0 0 2 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.869 108.0 54.8 -63.2 -36.4 39.9 -25.6 6.8 61 67 A W H < S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.9 32.9 -63.7 -38.5 41.8 -28.7 6.2 62 68 A V H < S+ 0 0 55 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.607 118.4 53.2 -96.2 -12.7 45.1 -26.9 5.5 63 69 A D X - 0 0 49 -4,-1.8 4,-2.6 -5,-0.2 3,-0.3 -0.837 55.6-174.3-133.7 95.1 44.7 -23.9 7.8 64 70 A P H > S+ 0 0 105 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.788 88.3 56.5 -60.5 -30.4 43.9 -24.6 11.5 65 71 A A H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.919 109.6 44.0 -67.6 -44.9 43.4 -20.9 12.2 66 72 A Y H > S+ 0 0 0 -3,-0.3 4,-3.2 2,-0.2 5,-0.2 0.923 111.3 55.2 -65.0 -43.1 40.7 -20.6 9.5 67 73 A K H X S+ 0 0 58 -4,-2.6 4,-2.6 -7,-0.3 -2,-0.2 0.913 108.0 49.3 -55.1 -44.5 39.1 -23.8 10.7 68 74 A A H X S+ 0 0 59 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.924 112.6 46.5 -63.1 -44.7 38.9 -22.4 14.2 69 75 A R H X S+ 0 0 107 -4,-2.1 4,-2.7 1,-0.2 8,-0.3 0.930 112.3 51.6 -61.5 -44.2 37.3 -19.1 12.9 70 76 A L H < S+ 0 0 1 -4,-3.2 23,-0.4 1,-0.2 7,-0.2 0.901 111.2 46.1 -60.3 -44.0 34.9 -21.1 10.7 71 77 A L H < S+ 0 0 64 -4,-2.6 3,-0.3 -5,-0.2 -1,-0.2 0.779 115.0 48.1 -72.3 -25.9 33.8 -23.3 13.6 72 78 A A H < S+ 0 0 89 -4,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.842 132.6 10.9 -81.2 -36.0 33.4 -20.2 15.8 73 79 A D X - 0 0 90 -4,-2.7 4,-3.1 -5,-0.2 -1,-0.3 -0.735 64.7-175.4-147.3 92.0 31.4 -18.2 13.3 74 80 A G H > S+ 0 0 5 17,-0.6 4,-2.6 -3,-0.3 5,-0.3 0.879 85.3 50.5 -56.9 -45.2 30.2 -20.1 10.2 75 81 A T H > S+ 0 0 39 16,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.936 115.8 41.3 -61.7 -47.8 28.8 -17.0 8.5 76 82 A A H > S+ 0 0 46 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.904 113.0 57.3 -66.0 -41.1 32.0 -15.0 8.9 77 83 A G H >< S+ 0 0 1 -4,-3.1 3,-0.8 -8,-0.3 4,-0.3 0.938 110.0 40.4 -54.3 -54.1 34.1 -18.0 8.1 78 84 A I H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-1.1 0.758 106.4 66.6 -71.4 -21.7 32.5 -18.7 4.7 79 85 A A H ><5S+ 0 0 39 -4,-1.3 3,-2.2 -5,-0.3 -1,-0.2 0.804 85.8 70.6 -67.5 -28.0 32.5 -15.0 4.0 80 86 A E T <<5S+ 0 0 61 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.761 102.4 44.5 -58.5 -25.0 36.3 -15.0 4.0 81 87 A L T < 5S- 0 0 32 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.237 127.6-101.0-104.0 11.3 36.0 -16.9 0.7 82 88 A G T < 5S+ 0 0 35 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.641 78.6 133.2 83.1 16.7 33.3 -14.6 -0.6 83 89 A F < + 0 0 26 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.870 24.3 114.4-104.5 131.6 30.3 -16.8 0.0 84 90 A S + 0 0 52 -2,-0.5 2,-0.3 31,-0.1 5,-0.1 -0.980 27.4 65.3-174.0 168.5 27.2 -15.3 1.7 85 91 A G > + 0 0 4 234,-0.3 3,-2.0 -2,-0.3 233,-0.2 -0.754 68.0 40.8 116.1-150.6 23.5 -14.4 1.4 86 92 A V T 3 S+ 0 0 29 231,-2.1 234,-0.1 -2,-0.3 28,-0.1 -0.096 123.5 1.7 -50.2 123.0 20.1 -16.0 0.9 87 93 A Q T 3 S+ 0 0 20 27,-0.1 27,-0.7 26,-0.1 -1,-0.3 0.700 126.3 67.9 72.1 21.8 19.6 -19.2 2.9 88 94 A G X + 0 0 1 -3,-2.0 3,-0.5 25,-0.2 -3,-0.2 0.085 56.9 118.0-150.4 22.9 23.1 -19.0 4.5 89 95 A E T 3 S+ 0 0 32 1,-0.3 2,-0.4 -5,-0.1 233,-0.1 0.852 86.2 29.6 -63.3 -37.2 22.6 -15.9 6.7 90 96 A D T 3 S- 0 0 36 72,-0.4 74,-1.9 -15,-0.1 -1,-0.3 -0.695 85.1-174.1-129.3 81.3 23.3 -17.8 9.9 91 97 A M E < -a 164 0A 8 -3,-0.5 -17,-0.6 -2,-0.4 -16,-0.6 -0.449 13.2-169.4 -82.5 142.8 25.7 -20.7 9.2 92 98 A V E -a 165 0A 31 72,-2.7 74,-1.6 -18,-0.2 2,-0.4 -0.986 13.3-148.6-130.2 123.4 26.7 -23.4 11.5 93 99 A I E -a 166 0A 12 -2,-0.4 2,-0.6 -23,-0.4 74,-0.2 -0.778 7.3-149.0 -94.5 130.6 29.6 -25.8 10.5 94 100 A L E -a 167 0A 6 72,-2.8 74,-3.3 -2,-0.4 2,-0.7 -0.866 10.0-144.8-105.8 114.6 29.5 -29.4 11.8 95 101 A E E -a 168 0A 74 -2,-0.6 2,-0.2 72,-0.2 5,-0.1 -0.666 6.8-146.6 -85.9 113.6 32.8 -31.0 12.4 96 102 A N + 0 0 8 72,-2.4 5,-0.2 -2,-0.7 98,-0.0 -0.566 26.0 173.7 -70.6 138.4 33.1 -34.7 11.6 97 103 A T - 0 0 39 3,-2.4 3,-0.3 -2,-0.2 73,-0.1 -0.818 51.0 -91.7-135.8 173.4 35.5 -36.5 13.9 98 104 A P S S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.745 129.7 40.9 -59.1 -21.2 36.5 -40.1 14.5 99 105 A A S S+ 0 0 60 1,-0.2 54,-1.7 53,-0.1 2,-0.4 0.644 116.4 47.3-100.4 -20.1 33.8 -40.2 17.2 100 106 A V E -b 153 0B 14 -3,-0.3 -3,-2.4 52,-0.2 2,-0.6 -0.980 53.2-168.6-133.5 126.9 31.0 -38.2 15.5 101 107 A H E -b 154 0B 1 52,-3.0 54,-2.9 -2,-0.4 2,-0.3 -0.960 19.8-158.0-109.9 118.2 29.4 -38.4 12.0 102 108 A N E +b 155 0B 5 -2,-0.6 2,-0.3 52,-0.2 54,-0.2 -0.656 18.2 164.0 -94.8 148.8 27.2 -35.4 11.2 103 109 A V E -b 156 0B 0 52,-2.0 54,-2.9 -2,-0.3 2,-0.3 -0.967 17.3-150.6-157.7 149.4 24.4 -35.2 8.7 104 110 A F E +b 157 0B 0 89,-1.7 2,-0.3 -2,-0.3 54,-0.2 -0.865 15.8 166.4-129.6 162.3 21.5 -32.8 8.2 105 111 A V E -b 158 0B 0 52,-2.4 54,-3.2 -2,-0.3 2,-0.4 -0.944 32.9-129.3-157.1 165.7 18.0 -32.7 6.8 106 112 A C + 0 0 1 18,-0.4 3,-0.4 -2,-0.3 24,-0.1 -0.842 22.5 179.1-125.0 94.2 14.9 -30.6 6.7 107 113 A T S S+ 0 0 0 -2,-0.4 102,-1.0 1,-0.2 -1,-0.1 0.857 82.6 51.1 -64.0 -30.6 12.0 -32.9 7.7 108 114 A L S S- 0 0 5 100,-0.2 -1,-0.2 -3,-0.1 52,-0.1 0.743 133.2 -45.1 -81.6 -23.5 9.5 -30.0 7.4 109 115 A X S S- 0 0 26 -3,-0.4 -3,-0.2 2,-0.1 21,-0.1 -0.103 85.0 -54.7-165.1 -91.3 10.6 -28.9 3.9 110 116 A S + 0 0 9 49,-0.1 15,-0.1 -5,-0.1 -3,-0.1 0.277 55.2 164.3-162.7 10.0 13.9 -28.3 2.2 111 117 A X + 0 0 8 48,-0.2 48,-0.2 14,-0.0 -2,-0.1 -0.148 18.8 155.5 -51.4 136.6 16.1 -25.8 4.2 112 118 A Y - 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0 0 179 1,-0.3 3,-0.1 0, 0.0 -3,-0.0 -0.176 69.1 -1.5 -50.7 132.8 49.8 -35.3 2.7 177 183 A A T 3 S+ 0 0 103 1,-0.2 -1,-0.3 -115,-0.0 -115,-0.0 0.571 88.0 157.3 59.9 12.5 50.9 -31.9 1.3 178 184 A Y < - 0 0 76 -3,-1.8 -1,-0.2 1,-0.1 2,-0.2 -0.341 44.3-115.6 -56.5 145.8 48.0 -31.8 -1.1 179 185 A S > - 0 0 46 -3,-0.1 4,-2.8 1,-0.1 3,-0.3 -0.521 26.7-105.2 -79.2 158.4 47.2 -28.2 -2.2 180 186 A E H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -122,-0.1 0.833 123.5 53.5 -48.6 -36.1 43.8 -26.7 -1.2 181 187 A E H > S+ 0 0 50 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.904 109.2 44.7 -72.4 -41.5 42.8 -27.2 -4.8 182 188 A Q H 4 S+ 0 0 96 -3,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.881 115.8 48.7 -68.6 -37.4 43.7 -30.9 -5.0 183 189 A L H >X S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 4,-0.6 0.919 106.0 57.3 -66.0 -42.6 42.0 -31.4 -1.6 184 190 A A H >< S+ 0 0 6 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.818 96.8 63.6 -58.3 -33.0 38.9 -29.5 -2.8 185 191 A E T 3< S+ 0 0 136 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.714 99.9 53.9 -63.2 -23.3 38.5 -31.9 -5.7 186 192 A L T <4 S+ 0 0 17 -3,-1.7 13,-2.5 -4,-0.4 2,-0.9 0.664 86.0 95.4 -85.3 -17.9 37.9 -34.7 -3.1 187 193 A V << - 0 0 1 -3,-0.9 2,-0.2 -4,-0.6 -133,-0.1 -0.651 59.7-169.9 -83.3 107.6 35.1 -32.9 -1.4 188 194 A T > - 0 0 44 -2,-0.9 4,-0.8 1,-0.1 5,-0.1 -0.483 35.4-112.7 -89.8 163.8 31.8 -34.0 -2.8 189 195 A R H >> S+ 0 0 68 1,-0.2 3,-1.7 2,-0.2 4,-1.2 0.958 119.1 54.5 -57.9 -49.7 28.4 -32.5 -2.2 190 196 A D H >>>S+ 0 0 33 1,-0.3 4,-2.7 2,-0.2 5,-1.6 0.863 101.8 58.6 -52.8 -38.0 27.4 -35.6 -0.3 191 197 A S H 345S+ 0 0 0 1,-0.2 -1,-0.3 4,-0.2 -2,-0.2 0.756 108.0 45.9 -66.7 -22.4 30.4 -35.3 2.0 192 198 A M H <<5S+ 0 0 0 -3,-1.7 -25,-3.0 -4,-0.8 -1,-0.2 0.579 114.7 46.0 -96.1 -13.3 29.1 -31.8 3.0 193 199 A I H <<5S- 0 0 0 -4,-1.2 -89,-1.7 -3,-0.6 -2,-0.2 0.732 114.0-119.1 -89.6 -30.8 25.6 -32.9 3.5 194 200 A G T <5S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.453 86.7 110.0 104.2 6.2 26.8 -36.0 5.4 195 201 A T S - 0 0 17 -2,-2.2 3,-1.6 1,-0.1 54,-0.1 -0.341 68.7 -93.1 -99.3 177.1 -0.1 -31.9 8.0 206 4 B I T 3 S+ 0 0 55 1,-0.3 52,-0.1 52,-0.2 -1,-0.1 0.711 116.8 70.4 -61.2 -22.5 1.5 -34.3 5.5 207 5 B H T 3 S+ 0 0 4 51,-0.2 2,-2.0 1,-0.2 -1,-0.3 0.732 76.1 82.8 -68.2 -24.6 4.6 -32.0 5.3 208 6 B D < + 0 0 22 -3,-1.6 -1,-0.2 1,-0.2 -100,-0.2 -0.546 59.1 158.8 -82.8 79.2 5.6 -33.0 8.9 209 7 B T > + 0 0 2 -2,-2.0 3,-2.5 -102,-1.0 -1,-0.2 0.597 14.8 130.4 -84.6 -17.4 7.3 -36.2 7.6 210 8 B G T 3 S+ 0 0 12 1,-0.3 -79,-0.2 -3,-0.2 -78,-0.1 -0.149 82.8 4.0 -50.2 118.3 9.7 -37.0 10.4 211 9 B G T 3 S+ 0 0 20 -80,-2.3 -1,-0.3 1,-0.3 -79,-0.1 0.407 92.2 142.8 92.2 -2.1 9.3 -40.6 11.5 212 10 B A < - 0 0 33 -3,-2.5 -1,-0.3 -85,-0.1 2,-0.3 -0.361 37.6-145.0 -70.9 151.4 6.8 -41.6 8.8 213 11 B H + 0 0 169 1,-0.1 -1,-0.1 2,-0.1 -81,-0.0 -0.751 67.3 45.2-109.3 161.5 7.0 -45.1 7.2 214 12 B G + 0 0 72 -2,-0.3 -1,-0.1 -86,-0.0 -2,-0.0 0.486 68.1 110.0 92.5 4.5 6.2 -46.2 3.7 215 13 B Y - 0 0 25 1,-0.2 -210,-0.2 -3,-0.2 -86,-0.1 0.630 68.5-155.1 -85.9 -13.8 7.9 -43.5 1.6 216 14 B G - 0 0 30 -88,-0.1 -1,-0.2 -89,-0.1 -84,-0.1 -0.241 35.3 -1.0 84.3-163.4 10.4 -46.1 0.5 217 15 B P - 0 0 93 0, 0.0 2,-1.4 0, 0.0 -88,-0.1 -0.224 66.8-114.0 -66.0 150.1 14.0 -46.0 -0.8 218 16 B V - 0 0 10 -90,-0.2 2,-0.2 -78,-0.1 -2,-0.1 -0.707 39.1-167.0 -85.9 87.8 15.9 -42.7 -1.3 219 17 B Y - 0 0 90 -2,-1.4 2,-0.4 -96,-0.1 -90,-0.1 -0.551 4.3-169.2 -73.6 141.2 16.2 -42.7 -5.1 220 18 B R - 0 0 57 -2,-0.2 -213,-0.0 -98,-0.1 -2,-0.0 -0.998 21.3-121.3-138.3 135.7 18.7 -40.2 -6.5 221 19 B E > - 0 0 51 -2,-0.4 3,-0.9 1,-0.1 2,-0.3 -0.571 27.7-124.7 -75.5 129.8 19.4 -39.1 -10.0 222 20 B P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.580 93.6 3.2 -68.5 134.9 23.0 -39.5 -11.3 223 21 B N T 3 S- 0 0 168 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.872 89.8-164.7 59.2 41.9 24.4 -36.2 -12.5 224 22 B E < - 0 0 28 -3,-0.9 -1,-0.2 1,-0.1 2,-0.1 -0.384 11.8-131.1 -66.9 128.3 21.3 -34.3 -11.5 225 23 B P - 0 0 62 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.400 19.4-117.2 -71.8 153.6 21.1 -30.8 -13.1 226 24 B V S S+ 0 0 62 1,-0.2 2,-0.5 -181,-0.2 -181,-0.1 0.946 110.4 28.7 -53.1 -48.6 20.3 -27.8 -10.9 227 25 B F - 0 0 13 1,-0.1 -1,-0.2 -182,-0.1 3,-0.1 -0.965 65.7-172.2-118.3 123.5 17.1 -27.4 -13.0 228 26 B R S S+ 0 0 54 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.715 76.8 26.8 -88.1 -20.6 15.6 -30.5 -14.6 229 27 B Y S >> S- 0 0 73 1,-0.1 3,-0.9 -213,-0.0 4,-0.7 -0.986 77.1-122.6-138.2 150.4 13.0 -28.6 -16.6 230 28 B D H >> S+ 0 0 120 -2,-0.3 3,-1.3 1,-0.2 4,-1.0 0.883 109.9 61.3 -57.4 -40.2 12.9 -25.0 -18.1 231 29 B W H 3> S+ 0 0 17 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.804 94.3 63.7 -60.5 -27.5 9.7 -24.2 -16.2 232 30 B E H <> S+ 0 0 10 -3,-0.9 4,-3.0 1,-0.2 -1,-0.3 0.831 96.1 58.6 -64.8 -32.0 11.5 -24.8 -12.9 233 31 B K H < S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.931 111.2 49.7 -58.9 -47.9 12.4 -20.7 -8.8 237 35 B S H 3X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.737 99.8 67.8 -68.8 -20.8 13.4 -17.2 -9.8 238 36 B L H 3X S+ 0 0 1 -4,-1.5 4,-2.7 -3,-0.5 5,-0.3 0.830 88.7 66.2 -65.1 -33.2 9.9 -15.9 -9.0 239 37 B L H S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 114.4 55.3 -57.0 -37.6 13.2 -13.8 -4.7 241 39 B A H X S+ 0 0 1 -4,-1.2 4,-1.3 1,-0.2 67,-0.3 0.937 113.2 39.1 -60.8 -47.3 11.2 -11.4 -7.0 242 40 B L H X>S+ 0 0 0 -4,-2.7 5,-1.9 2,-0.2 4,-0.6 0.842 113.6 53.3 -76.8 -35.7 8.1 -11.7 -4.9 243 41 B L H ><5S+ 0 0 56 -4,-2.8 3,-1.2 -5,-0.3 -1,-0.2 0.911 106.4 55.4 -61.4 -41.1 9.8 -11.7 -1.5 244 42 B A H 3<5S+ 0 0 14 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.875 103.3 54.4 -61.5 -37.4 11.6 -8.5 -2.6 245 43 B N H 3<5S- 0 0 26 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.721 111.2-124.0 -65.1 -19.1 8.2 -6.9 -3.3 246 44 B G T <<5 + 0 0 59 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.760 64.6 144.8 72.9 26.0 7.2 -7.7 0.2 247 45 B N S - 0 0 58 -2,-0.3 4,-2.1 127,-0.1 3,-0.2 -0.611 34.7-104.2-100.9 168.5 7.2 -13.2 4.1 250 48 B L H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.835 118.7 54.8 -61.4 -34.4 9.0 -16.6 4.1 251 49 B D H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 108.7 47.7 -68.1 -40.9 7.0 -17.9 7.0 252 50 B E H > S+ 0 0 26 -3,-0.2 4,-2.0 124,-0.2 -1,-0.2 0.884 110.1 55.0 -61.1 -40.6 3.7 -17.3 5.2 253 51 B F H X S+ 0 0 9 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.952 109.0 46.2 -58.8 -50.2 5.3 -18.9 2.1 254 52 B R H X S+ 0 0 7 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.910 113.0 48.8 -58.8 -44.4 6.1 -22.1 4.1 255 53 B H H X S+ 0 0 13 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.793 104.9 59.3 -71.5 -27.2 2.7 -22.3 5.7 256 54 B S H < S+ 0 0 1 -4,-2.0 3,-0.5 2,-0.2 -1,-0.2 0.902 106.3 48.1 -65.6 -41.4 1.0 -21.9 2.3 257 55 B I H >< S+ 0 0 17 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.892 107.2 56.3 -63.4 -39.4 2.8 -25.0 1.1 258 56 B Q H 3< S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.3 -51,-0.2 0.741 104.2 56.6 -63.4 -22.2 1.7 -26.8 4.2 259 57 B R T 3< S+ 0 0 100 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.376 80.3 105.6 -97.6 2.6 -1.9 -26.0 3.3 260 58 B M S < S- 0 0 17 -3,-1.5 5,-0.1 -4,-0.2 13,-0.0 -0.371 91.3 -71.5 -74.7 162.8 -2.1 -27.5 -0.2 261 59 B G > - 0 0 26 1,-0.1 4,-3.0 2,-0.1 5,-0.2 -0.299 42.1-126.9 -54.7 137.7 -4.0 -30.7 -0.6 262 60 B P H > S+ 0 0 89 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.890 111.7 44.4 -55.2 -44.1 -2.2 -33.7 1.0 263 61 B A H > S+ 0 0 66 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.922 112.4 52.2 -65.8 -44.0 -2.3 -35.7 -2.2 264 62 B H H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 108.2 52.9 -55.8 -43.2 -1.3 -32.7 -4.2 265 63 B Y H < S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.892 113.7 41.5 -60.3 -43.1 1.6 -32.2 -1.9 266 64 B L H < S+ 0 0 47 -4,-1.8 -259,-0.2 -5,-0.2 -2,-0.2 0.888 118.4 44.9 -73.2 -39.9 2.8 -35.8 -2.4 267 65 B E H < S+ 0 0 125 -4,-3.0 -2,-0.2 -5,-0.1 2,-0.2 0.825 96.7 88.1 -74.7 -33.7 2.1 -35.9 -6.2 268 66 B G S < S- 0 0 7 -4,-2.5 -259,-0.1 -5,-0.3 -261,-0.1 -0.449 77.7-124.2 -74.5 135.3 3.7 -32.6 -7.0 269 67 B T >> - 0 0 2 -2,-0.2 3,-1.7 1,-0.1 4,-0.9 -0.299 43.6 -90.3 -64.2 163.1 7.3 -32.2 -7.8 270 68 B Y H >> S+ 0 0 41 -263,-0.3 3,-1.5 1,-0.3 4,-0.9 0.872 125.2 47.9 -48.5 -52.5 9.1 -29.7 -5.6 271 69 B Y H 3> S+ 0 0 5 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.647 99.0 69.1 -72.7 -10.9 8.7 -26.6 -7.7 272 70 B E H <> S+ 0 0 24 -3,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.782 95.0 58.0 -69.9 -28.6 4.9 -27.3 -8.1 273 71 B H H X>S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.8 0.927 110.1 49.7 -56.7 -46.2 2.0 -20.8 -3.3 278 76 B F H 3X5S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.891 112.7 47.1 -61.8 -39.3 2.2 -18.1 -6.0 279 77 B E H 3<5S+ 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.689 128.5 22.9 -74.8 -19.6 -1.2 -19.0 -7.4 280 78 B N H 45S+ 0 0 47 4,-0.2 3,-1.1 3,-0.2 -2,-0.2 0.928 110.8 51.1 -73.9 -45.7 -4.7 -14.1 -3.9 284 82 B E H 3<5S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.844 111.5 48.9 -57.5 -35.6 -5.1 -14.5 -0.1 285 83 B K T 3<5S- 0 0 95 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.576 115.2-117.9 -84.0 -9.2 -2.8 -11.4 0.3 286 84 B G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.642 83.0 118.2 83.3 14.5 -4.9 -9.5 -2.2 287 85 B V S - 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0 0 17 -2,-2.1 3,-1.7 1,-0.1 54,-0.1 -0.344 68.5 -93.1 -98.9 177.7 50.6 -6.6 -43.0 628 4 D I T 3 S+ 0 0 54 1,-0.3 -1,-0.1 52,-0.2 52,-0.1 0.730 116.9 70.6 -60.8 -23.6 48.1 -4.2 -41.5 629 5 D H T 3 S+ 0 0 5 51,-0.2 2,-1.9 1,-0.2 -1,-0.3 0.725 76.4 82.7 -67.4 -23.6 47.9 -6.4 -38.3 630 6 D D < + 0 0 22 -3,-1.7 -1,-0.2 1,-0.2 -100,-0.2 -0.564 58.8 158.4 -83.7 80.4 51.5 -5.4 -37.3 631 7 D T > + 0 0 3 -2,-1.9 3,-2.6 -102,-1.1 -1,-0.2 0.578 14.7 130.4 -86.8 -15.8 50.2 -2.2 -35.7 632 8 D G T 3 S+ 0 0 13 1,-0.3 -79,-0.2 -3,-0.2 -78,-0.1 -0.172 82.9 4.5 -52.7 120.7 53.0 -1.3 -33.4 633 9 D G T 3 S+ 0 0 19 -80,-2.6 -1,-0.3 1,-0.3 -79,-0.1 0.405 92.6 143.1 89.6 -2.4 54.0 2.4 -33.8 634 10 D A < - 0 0 34 -3,-2.6 2,-0.3 -85,-0.1 -1,-0.3 -0.341 37.2-145.8 -69.8 151.4 51.3 3.2 -36.3 635 11 D H + 0 0 171 1,-0.1 -1,-0.0 2,-0.1 -81,-0.0 -0.781 67.0 45.9-109.6 160.8 49.7 6.7 -36.3 636 12 D G + 0 0 71 -2,-0.3 -1,-0.1 -86,-0.0 -2,-0.0 0.486 68.4 109.5 94.8 3.9 46.1 7.7 -37.1 637 13 D Y - 0 0 28 1,-0.2 -210,-0.2 -3,-0.2 -86,-0.1 0.640 68.5-154.8 -85.9 -14.1 44.0 5.1 -35.3 638 14 D G - 0 0 28 -88,-0.1 -1,-0.2 -89,-0.1 -84,-0.1 -0.245 35.4 -1.8 83.9-164.6 42.9 7.7 -32.8 639 15 D P - 0 0 60 0, 0.0 2,-1.4 0, 0.0 -88,-0.1 -0.239 67.2-113.0 -64.4 149.3 41.7 7.6 -29.2 640 16 D V - 0 0 11 -90,-0.2 2,-0.2 -78,-0.1 -2,-0.1 -0.681 39.7-165.9 -84.2 87.5 41.2 4.4 -27.3 641 17 D Y - 0 0 35 -2,-1.4 2,-0.4 -96,-0.1 -90,-0.1 -0.531 4.7-168.9 -72.1 141.1 37.4 4.4 -26.9 642 18 D R - 0 0 56 -2,-0.2 -2,-0.0 281,-0.1 -214,-0.0 -0.997 20.6-126.0-135.3 136.8 36.0 2.0 -24.4 643 19 D E > - 0 0 53 -2,-0.4 3,-0.8 1,-0.0 2,-0.2 -0.686 27.7-126.1 -78.4 127.7 32.4 0.8 -23.7 644 20 D P T 3 S+ 0 0 46 0, 0.0 279,-0.1 0, 0.0 278,-0.0 -0.539 93.0 6.9 -66.0 138.5 31.3 1.2 -20.1 645 21 D N T 3 S- 0 0 160 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.877 89.6-166.8 55.3 42.6 30.0 -2.1 -18.6 646 22 D E < - 0 0 30 -3,-0.8 -1,-0.2 1,-0.1 2,-0.1 -0.450 13.0-131.4 -67.6 128.0 31.1 -4.0 -21.7 647 23 D P - 0 0 62 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.399 18.7-116.5 -72.2 154.8 29.5 -7.5 -21.8 648 24 D V S S+ 0 0 60 1,-0.2 2,-0.5 -181,-0.2 -181,-0.1 0.937 110.5 28.6 -54.2 -48.2 31.7 -10.5 -22.6 649 25 D F - 0 0 13 1,-0.1 -1,-0.2 -182,-0.1 3,-0.1 -0.966 65.7-172.1-118.2 124.3 29.7 -11.0 -25.7 650 26 D R S S+ 0 0 47 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.703 76.9 26.8 -89.0 -19.3 28.1 -7.9 -27.3 651 27 D Y S >> S- 0 0 75 1,-0.1 3,-1.0 -213,-0.0 4,-0.7 -0.989 77.1-122.8-138.9 149.8 26.0 -9.9 -29.9 652 28 D D H >> S+ 0 0 120 -2,-0.3 3,-1.3 1,-0.2 4,-1.1 0.880 110.0 61.6 -56.8 -40.4 24.6 -13.5 -29.8 653 29 D W H 3> S+ 0 0 20 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.807 94.3 63.8 -60.0 -27.7 26.5 -14.4 -33.1 654 30 D E H <> S+ 0 0 12 -3,-1.0 4,-3.0 1,-0.2 -1,-0.3 0.832 96.2 58.2 -64.2 -32.9 29.8 -13.7 -31.3 655 31 D K H < S+ 0 0 0 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.922 110.9 49.5 -60.1 -45.9 34.0 -17.7 -30.3 659 35 D S H 3X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.735 99.4 68.4 -70.3 -21.1 32.9 -21.2 -29.2 660 36 D L H 3X S+ 0 0 2 -4,-1.5 4,-2.6 -3,-0.4 5,-0.3 0.844 88.6 66.0 -65.1 -33.5 33.8 -22.6 -32.7 661 37 D L H S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.881 114.5 54.8 -57.2 -37.0 38.1 -24.5 -29.3 663 39 D A H X S+ 0 0 2 -4,-1.2 4,-1.3 2,-0.2 67,-0.3 0.934 113.3 39.6 -60.6 -47.6 35.9 -27.0 -31.2 664 40 D L H X>S+ 0 0 0 -4,-2.6 5,-1.9 2,-0.2 4,-0.6 0.859 113.8 52.6 -76.7 -36.2 37.9 -26.8 -34.4 665 41 D L H ><5S+ 0 0 57 -4,-2.8 3,-1.2 -5,-0.3 -1,-0.2 0.913 106.5 55.7 -61.6 -41.6 41.3 -26.7 -32.7 666 42 D A H 3<5S+ 0 0 28 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.863 103.4 54.1 -59.7 -36.8 40.3 -29.8 -30.8 667 43 D N H 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.697 111.1-124.0 -66.4 -19.3 39.6 -31.6 -34.1 668 44 D G T <<5 + 0 0 59 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.762 64.9 144.6 72.0 27.2 43.1 -30.7 -35.2 669 45 D N S - 0 0 58 -2,-0.3 4,-2.1 127,-0.1 3,-0.2 -0.613 34.8-104.2-100.8 168.6 46.9 -25.2 -35.3 672 48 D L H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.841 118.8 53.9 -61.2 -35.1 46.9 -21.8 -33.6 673 49 D D H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 108.8 48.4 -68.2 -40.6 49.8 -20.4 -35.6 674 50 D E H > S+ 0 0 26 -3,-0.2 4,-1.8 124,-0.2 -1,-0.2 0.884 110.1 54.5 -61.2 -38.9 47.9 -21.2 -38.9 675 51 D F H X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.947 108.9 46.8 -61.1 -48.2 44.9 -19.5 -37.3 676 52 D R H X S+ 0 0 8 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.909 112.6 48.8 -61.0 -42.9 46.9 -16.3 -36.6 677 53 D H H X S+ 0 0 13 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.795 104.8 59.2 -72.0 -27.5 48.4 -16.2 -40.1 678 54 D S H >< S+ 0 0 1 -4,-1.8 3,-0.5 2,-0.2 -1,-0.2 0.907 106.3 48.1 -64.6 -42.7 45.0 -16.7 -41.7 679 55 D I H >< S+ 0 0 19 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.894 107.4 56.0 -62.6 -40.1 43.7 -13.6 -40.0 680 56 D Q H 3< S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.3 -51,-0.2 0.743 104.3 56.8 -63.6 -22.0 46.9 -11.7 -41.1 681 57 D R T << S+ 0 0 103 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.380 80.3 105.6 -96.7 3.2 46.0 -12.7 -44.7 682 58 D M S < S- 0 0 17 -3,-1.5 5,-0.1 -4,-0.2 13,-0.0 -0.366 91.2 -72.4 -74.7 162.7 42.5 -11.2 -44.9 683 59 D G > - 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0 0 28 -3,-0.8 -1,-0.2 1,-0.1 2,-0.1 -0.435 7.1-133.4 -69.8 127.2 26.3 26.7 -0.4 1068 23 F P - 0 0 64 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.401 19.7-117.0 -73.0 154.3 26.9 23.2 1.1 1069 24 F V S S+ 0 0 63 1,-0.2 2,-0.5 -181,-0.2 -181,-0.1 0.951 110.3 29.0 -54.2 -49.1 25.1 20.2 -0.4 1070 25 F F - 0 0 12 1,-0.1 -1,-0.2 -182,-0.1 3,-0.1 -0.959 65.9-172.3-116.7 123.6 23.4 19.9 3.0 1071 26 F R S S+ 0 0 51 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.721 76.7 26.1 -87.7 -21.0 22.7 23.0 5.0 1072 27 F Y S >> S- 0 0 74 1,-0.1 3,-0.9 -213,-0.0 4,-0.7 -0.985 77.3-122.1-138.1 151.1 21.4 21.1 8.1 1073 28 F D H >> S+ 0 0 123 -2,-0.3 3,-1.1 1,-0.2 4,-1.1 0.876 110.2 61.3 -58.2 -38.8 22.0 17.6 9.4 1074 29 F W H 3> S+ 0 0 19 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.811 94.3 63.8 -61.3 -28.1 18.3 16.7 9.3 1075 30 F E H <> S+ 0 0 10 -3,-0.9 4,-3.0 1,-0.2 -1,-0.3 0.841 96.2 58.2 -64.0 -33.5 18.3 17.3 5.6 1076 31 F K H < S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.929 110.9 49.6 -60.3 -47.6 17.2 13.2 1.5 1080 35 F S H 3X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.727 99.8 67.9 -68.5 -20.4 18.6 9.7 2.1 1081 36 F L H 3X S+ 0 0 1 -4,-1.5 4,-2.6 -3,-0.4 5,-0.3 0.837 88.9 65.9 -66.2 -32.8 15.1 8.4 3.0 1082 37 F L H S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.864 114.6 55.1 -56.5 -37.2 16.0 6.3 -2.3 1084 39 F A H X S+ 0 0 2 -4,-1.2 4,-1.1 2,-0.2 67,-0.4 0.929 113.0 39.2 -60.1 -47.5 15.4 3.9 0.6 1085 40 F L H X>S+ 0 0 0 -4,-2.6 5,-1.9 2,-0.2 4,-0.6 0.871 113.6 53.0 -76.9 -38.4 11.6 4.1 0.3 1086 41 F L H ><5S+ 0 0 58 -4,-2.9 3,-1.2 -5,-0.3 -1,-0.2 0.910 106.5 56.0 -60.1 -40.7 11.5 4.1 -3.5 1087 42 F A H 3<5S+ 0 0 14 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.837 103.4 53.6 -61.4 -34.7 13.6 0.9 -3.4 1088 43 F N H 3<5S- 0 0 14 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.676 111.5-123.4 -68.3 -18.5 11.0 -0.7 -1.2 1089 44 F G T <<5 + 0 0 41 -3,-1.2 -3,-0.2 -4,-0.6 -784,-0.1 0.748 64.9 144.8 72.3 25.8 8.4 0.1 -3.8 1090 45 F N S - 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0 0 26 1,-0.1 4,-3.1 2,-0.1 5,-0.2 -0.320 42.2-126.1 -54.6 137.2 -1.2 23.1 1.9 1105 60 F P H > S+ 0 0 88 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.884 111.7 44.4 -54.0 -45.1 -0.3 26.1 -0.4 1106 61 F A H > S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.907 112.3 52.3 -65.5 -43.3 1.1 28.1 2.5 1107 62 F H H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 108.0 53.1 -56.4 -44.4 2.9 25.1 3.9 1108 63 F Y H < S+ 0 0 13 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.9 41.1 -59.1 -42.1 4.5 24.6 0.5 1109 64 F L H < S+ 0 0 46 -4,-1.7 -259,-0.2 -5,-0.2 -2,-0.2 0.896 118.3 45.2 -74.7 -40.7 5.7 28.2 0.3 1110 65 F E H < S+ 0 0 123 -4,-3.0 2,-0.2 -5,-0.1 -2,-0.2 0.834 96.8 87.6 -73.5 -34.3 6.9 28.4 3.9 1111 66 F G S < S- 0 0 8 -4,-2.6 -259,-0.1 -5,-0.3 5,-0.1 -0.455 78.0-124.0 -75.4 135.2 8.7 25.1 4.0 1112 67 F T >> - 0 0 2 -2,-0.2 3,-1.5 1,-0.1 4,-0.8 -0.259 43.7 -89.8 -63.7 164.1 12.3 24.7 3.0 1113 68 F Y H >> S+ 0 0 38 -263,-0.3 3,-1.7 1,-0.3 4,-0.8 0.876 125.0 47.7 -49.7 -53.1 12.8 22.1 0.2 1114 69 F Y H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.642 99.0 69.3 -71.8 -11.6 13.4 19.0 2.3 1115 70 F E H <> S+ 0 0 23 -3,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.790 95.0 57.8 -69.2 -27.8 10.3 19.8 4.4 1116 71 F H H X>S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.8 0.922 110.4 49.9 -55.3 -46.0 5.5 13.2 1.6 1121 76 F F H 3X5S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.886 112.6 46.6 -62.5 -37.7 6.9 10.6 3.9 1122 77 F E H 3<5S+ 0 0 36 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.672 128.6 23.2 -78.4 -17.4 4.6 11.5 6.8 1123 78 F N H 45S+ 0 0 45 4,-0.2 3,-1.0 -3,-0.2 -2,-0.2 0.917 110.8 50.9 -73.4 -45.0 -0.2 6.6 5.4 1127 82 F E H 3<5S+ 0 0 106 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.844 111.7 48.8 -59.3 -35.0 -2.2 6.9 2.2 1128 83 F K T 3<5S- 0 0 94 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.567 115.2-118.4 -83.1 -8.9 -0.5 3.9 0.8 1129 84 F G T < 5S+ 0 0 63 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.647 82.9 118.5 81.4 15.1 -1.1 1.9 4.0 1130 85 F V S - 0 0 64 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.832 27.2-114.4-112.8 158.7 -0.8 4.7 10.2 1133 88 F A H > S+ 0 0 67 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.883 119.6 52.2 -55.3 -39.4 -1.5 8.3 11.2 1134 89 F T H > S+ 0 0 99 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.940 105.6 53.2 -64.4 -47.8 -1.0 7.2 14.8 1135 90 F E H >>S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.8 0.931 113.8 43.9 -50.8 -47.8 2.4 5.6 14.0 1136 91 F V H <5S+ 0 0 32 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.905 112.9 51.3 -66.6 -42.8 3.4 8.9 12.4 1137 92 F A H <5S+ 0 0 85 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.929 123.1 29.3 -59.5 -47.6 2.0 11.0 15.3 1138 93 F T H <5S- 0 0 92 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.677 95.2-135.8 -87.2 -18.3 3.8 9.1 18.0 1139 94 F G T <5 + 0 0 14 -4,-2.0 2,-0.4 -5,-0.4 -3,-0.2 0.820 68.0 121.3 61.8 31.3 6.8 8.0 15.9 1140 95 F K < - 0 0 130 -5,-0.8 -1,-0.2 -6,-0.3 -2,-0.2 -0.990 68.4-113.5-132.6 125.6 6.3 4.6 17.5 1141 96 F A - 0 0 2 -2,-0.4 3,-0.2 1,-0.1 4,-0.1 -0.214 15.8-140.4 -59.0 143.2 5.6 1.3 15.6 1142 97 F A S S+ 0 0 72 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.903 94.4 5.1 -69.0 -41.2 2.2 -0.2 16.1 1143 98 F S S S- 0 0 69 1,-0.6 -761,-0.3 -761,-0.0 -1,-0.2 -0.206 105.3-102.8-144.6 42.6 3.4 -3.8 16.2 1144 99 F G S S- 0 0 30 -3,-0.2 -1,-0.6 -763,-0.1 2,-0.2 -0.250 82.1 -1.4 66.2-154.5 7.2 -3.9 16.1 1145 100 F K + 0 0 51 1,-0.1 -763,-0.2 -3,-0.1 -273,-0.2 -0.493 56.4 163.3 -76.3 133.6 9.1 -4.7 12.9 1146 101 F T + 0 0 78 -274,-2.1 2,-0.3 -2,-0.2 -273,-0.2 0.298 57.0 37.7-132.2 5.6 7.0 -5.7 9.9 1147 102 F A - 0 0 29 -275,-1.5 -273,-0.1 -272,-0.1 -272,-0.1 -0.925 63.5-125.4-148.4 175.1 9.4 -5.3 6.9 1148 103 F T - 0 0 74 -2,-0.3 2,-0.1 -274,-0.1 -274,-0.1 -0.999 38.0-111.9-125.5 127.7 13.0 -5.8 5.6 1149 104 F P - 0 0 21 0, 0.0 -274,-0.1 0, 0.0 -275,-0.1 -0.371 19.8-162.2 -60.1 124.8 14.8 -2.9 4.0 1150 105 F V S S+ 0 0 15 -276,-0.4 2,-1.1 -66,-0.3 5,-0.1 0.885 78.2 72.7 -72.2 -39.6 15.3 -3.4 0.3 1151 106 F L + 0 0 4 -67,-0.4 -275,-0.4 -277,-0.3 -272,-0.2 -0.651 69.0 168.8 -83.4 100.2 18.1 -0.8 0.1 1152 107 F T >> - 0 0 19 -2,-1.1 3,-1.9 -273,-0.1 4,-1.0 -0.729 49.8-104.5-110.7 158.7 21.1 -2.4 1.8 1153 108 F P G >4 S+ 0 0 52 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.848 116.5 62.9 -51.1 -36.7 24.7 -1.2 2.0 1154 109 F A G 34 S+ 0 0 63 1,-0.2 4,-0.3 -839,-0.1 -838,-0.1 0.768 112.6 33.3 -61.2 -27.7 25.7 -3.9 -0.6 1155 110 F I G <> S+ 0 0 4 -3,-1.9 4,-3.1 2,-0.1 5,-0.3 0.472 87.6 97.1-111.2 -1.5 23.5 -2.4 -3.3 1156 111 F V H S+ 0 0 120 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.912 116.8 47.1 -59.8 -45.3 26.3 2.1 -5.2 1158 113 F G H > S+ 0 0 27 -4,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.911 114.4 46.3 -62.8 -45.2 24.8 -0.2 -7.9 1159 114 F L H >X S+ 0 0 31 -4,-3.1 4,-3.2 1,-0.2 3,-0.7 0.945 114.5 46.5 -64.4 -48.8 21.3 1.2 -7.5 1160 115 F L H 3< S+ 0 0 9 -4,-2.9 -231,-2.2 -5,-0.3 -1,-0.2 0.858 112.5 50.9 -61.9 -36.2 22.4 4.8 -7.5 1161 116 F S H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.661 120.0 36.0 -74.2 -18.9 24.6 4.3 -10.5 1162 117 F T H << S+ 0 0 77 -4,-0.9 -234,-0.3 -3,-0.7 -2,-0.2 0.815 81.4 172.5-103.8 -43.8 21.8 2.6 -12.4 1163 118 F G < - 0 0 23 -4,-3.2 2,-0.3 -5,-0.2 -852,-0.1 -0.218 44.3 -76.8 62.3-157.5 18.6 4.4 -11.4 1164 119 F A - 0 0 83 -236,-0.1 -1,-0.1 0, 0.0 -234,-0.1 -0.823 37.9-144.6-148.0 101.6 15.3 3.7 -13.2 1165 120 F S - 0 0 46 -2,-0.3 -236,-0.0 -3,-0.2 -2,-0.0 -0.346 6.0-150.0 -66.0 142.6 14.6 5.0 -16.7 1166 121 F A + 0 0 16 -161,-0.2 48,-2.0 48,-0.1 -1,-0.1 0.459 64.4 115.4 -87.1 -3.4 11.0 6.0 -17.5 1167 122 F A B -T 1213 0F 37 46,-0.2 2,-0.4 -162,-0.1 46,-0.3 -0.398 51.1-160.0 -67.1 141.4 11.7 5.0 -21.1 1168 123 F R - 0 0 78 44,-2.1 44,-0.4 1,-0.1 3,-0.1 -0.960 24.1-128.3-128.9 148.4 9.7 2.1 -22.4 1169 124 F E S S+ 0 0 190 -2,-0.4 2,-0.3 1,-0.1 43,-0.1 0.922 89.1 11.3 -57.1 -51.4 10.2 -0.2 -25.4 1170 125 F E + 0 0 161 -3,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.943 68.2 125.8-135.5 156.8 6.7 0.2 -26.8 1171 126 F G - 0 0 37 -2,-0.3 57,-0.3 55,-0.1 3,-0.1 -0.937 61.7 -14.0-177.1-166.8 3.6 2.4 -26.5 1172 127 F A S S- 0 0 56 55,-2.3 57,-0.3 -2,-0.3 86,-0.1 -0.167 76.4-104.5 -52.7 140.8 1.2 4.6 -28.4 1173 128 F R - 0 0 190 1,-0.1 2,-0.4 55,-0.1 56,-0.1 -0.321 39.3 -95.7 -69.2 152.2 2.5 5.5 -31.8 1174 129 F A - 0 0 26 1,-0.2 -1,-0.1 -3,-0.1 38,-0.0 -0.534 32.2-172.5 -71.0 122.2 3.9 9.0 -32.4 1175 130 F R + 0 0 106 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.703 66.7 54.9 -83.2 -20.9 1.3 11.4 -33.9 1176 131 F F - 0 0 12 4,-0.0 2,-0.3 87,-0.0 6,-0.0 -0.844 61.4-156.2-123.7 152.3 3.7 14.2 -34.5 1177 132 F A > - 0 0 55 -2,-0.3 3,-2.5 1,-0.0 29,-0.2 -0.878 43.7 -82.9-120.7 154.1 7.1 14.8 -36.3 1178 133 F V T 3 S+ 0 0 95 -2,-0.3 29,-0.2 1,-0.3 3,-0.1 -0.316 119.4 35.7 -58.2 133.6 9.7 17.4 -35.6 1179 134 F G T 3 S+ 0 0 47 27,-2.8 -1,-0.3 1,-0.4 2,-0.1 0.073 86.8 130.1 106.5 -21.9 8.6 20.6 -37.4 1180 135 F D < - 0 0 67 -3,-2.5 26,-2.5 26,-0.1 2,-0.5 -0.415 58.9-128.7 -64.9 136.3 4.9 20.0 -36.7 1181 136 F K E -U 1205 0F 114 24,-0.2 83,-2.2 -2,-0.1 2,-0.3 -0.756 35.9-178.4 -81.9 130.2 2.9 22.9 -35.3 1182 137 F V E -UV12041263F 0 22,-2.9 22,-2.8 -2,-0.5 2,-0.4 -0.948 22.6-143.8-132.8 151.5 1.0 21.7 -32.2 1183 138 F R E -UV12031262F 97 79,-3.3 79,-1.6 -2,-0.3 2,-0.4 -0.958 22.9-125.5-113.8 134.2 -1.4 23.2 -29.7 1184 139 F V E - 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