==== 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 04-MAR-11 3QZ5 . 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) . 66160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1054 62.8 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 . 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 . 100 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 188 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 466 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.4 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 18 6 0 8 0 0 0 8 0 8 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 0 233 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 42.4 6.9 -49.3 -10.6 2 8 A D - 0 0 130 1,-0.1 2,-0.1 2,-0.0 7,-0.1 -0.301 360.0 -81.6 -75.3 170.4 7.4 -45.7 -11.8 3 9 A H + 0 0 67 5,-0.2 7,-0.4 1,-0.1 -1,-0.1 -0.483 54.2 162.6 -66.8 143.5 8.6 -42.9 -9.5 4 10 A H S S- 0 0 103 -2,-0.1 -1,-0.1 5,-0.1 5,-0.0 0.624 71.7 -0.2-130.6 -46.1 5.7 -41.5 -7.5 5 11 A H S S+ 0 0 55 210,-0.2 122,-0.7 1,-0.0 -2,-0.1 0.144 97.8 96.8-141.0 19.1 6.9 -39.5 -4.4 6 12 A D S S- 0 0 20 120,-0.1 120,-0.2 121,-0.1 123,-0.1 0.322 100.5-103.0 -97.3 7.3 10.7 -39.6 -4.5 7 13 A G S S+ 0 0 14 259,-0.2 263,-0.3 118,-0.1 116,-0.1 0.282 109.0 81.2 94.1 -9.3 11.1 -36.3 -6.2 8 14 A Y + 0 0 10 261,-0.1 -5,-0.2 2,-0.1 261,-0.1 0.324 59.9 120.7-112.5 5.7 11.8 -37.7 -9.7 9 15 A Q S S- 0 0 13 1,-0.1 -5,-0.1 -7,-0.1 260,-0.0 -0.159 74.4 -84.7 -62.2 165.0 8.3 -38.5 -10.8 10 16 A A - 0 0 82 -7,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.498 39.1-127.9 -77.7 140.1 7.0 -36.8 -14.0 11 17 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 257,-0.1 -0.407 44.8 -74.4 -76.9 163.1 5.4 -33.4 -13.8 12 18 A P > - 0 0 48 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.205 42.9-116.0 -56.5 150.8 1.9 -32.7 -15.3 13 19 A E T 3 S+ 0 0 117 1,-0.3 3,-0.2 2,-0.1 0, 0.0 0.716 113.7 42.8 -63.1 -22.3 1.8 -32.6 -19.1 14 20 A D T >> S+ 0 0 81 1,-0.1 4,-1.8 2,-0.1 3,-0.9 0.311 77.3 112.8-108.4 7.9 0.7 -28.9 -19.1 15 21 A I H <> S+ 0 0 8 -3,-1.4 4,-2.4 1,-0.3 5,-0.2 0.846 74.2 54.9 -52.7 -42.7 3.1 -27.6 -16.4 16 22 A A H 3> S+ 0 0 52 -4,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.854 107.9 50.1 -62.0 -36.2 5.1 -25.4 -18.7 17 23 A L H <> S+ 0 0 131 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.922 109.4 50.3 -68.4 -45.1 2.0 -23.6 -19.9 18 24 A R H X S+ 0 0 82 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.905 112.9 47.3 -57.9 -43.8 0.8 -22.9 -16.4 19 25 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 111.2 50.3 -64.9 -43.1 4.2 -21.5 -15.5 20 26 A K H X S+ 0 0 134 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.861 110.4 51.7 -63.6 -35.5 4.3 -19.4 -18.7 21 27 A A H X S+ 0 0 45 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 111.0 44.9 -69.3 -44.9 0.8 -18.0 -17.9 22 28 A L H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.893 112.0 53.4 -66.4 -39.9 1.6 -17.0 -14.3 23 29 A E H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.947 109.3 47.8 -59.8 -50.1 4.9 -15.4 -15.4 24 30 A S H X S+ 0 0 62 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.912 111.9 51.0 -56.3 -45.3 3.2 -13.3 -18.1 25 31 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.917 111.5 46.5 -58.5 -47.3 0.6 -12.2 -15.5 26 32 A L H X>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 6,-0.9 0.864 114.7 46.7 -66.5 -38.6 3.2 -11.2 -12.9 27 33 A I H ><5S+ 0 0 58 -4,-2.5 3,-0.6 3,-0.2 -1,-0.2 0.900 111.1 53.2 -67.6 -41.4 5.2 -9.3 -15.5 28 34 A E H 3<5S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.874 109.8 46.8 -62.5 -40.3 2.1 -7.6 -16.9 29 35 A K H 3<5S- 0 0 20 -4,-2.1 275,-1.2 273,-0.2 -1,-0.3 0.614 116.6-117.6 -76.7 -12.8 1.1 -6.4 -13.4 30 36 A G T <<5S+ 0 0 1 -3,-0.6 -3,-0.2 -4,-0.6 -2,-0.1 0.776 78.5 124.9 82.1 28.7 4.7 -5.2 -12.9 31 37 A L < + 0 0 9 -5,-3.0 276,-0.4 -6,-0.2 2,-0.3 0.759 69.9 33.1 -89.4 -28.5 5.4 -7.5 -10.0 32 38 A V - 0 0 4 -6,-0.9 -2,-0.1 -9,-0.1 -1,-0.1 -0.928 66.9-138.1-132.0 156.7 8.5 -9.1 -11.5 33 39 A D >> - 0 0 39 275,-0.4 4,-2.1 -2,-0.3 3,-0.6 -0.942 8.2-155.3-117.1 111.1 11.4 -8.2 -13.8 34 40 A P H 3> S+ 0 0 51 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.854 95.1 53.7 -52.9 -42.4 12.3 -10.8 -16.4 35 41 A A H 3> S+ 0 0 47 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.871 109.6 47.4 -62.3 -39.9 15.9 -9.5 -16.7 36 42 A A H <> S+ 0 0 0 -3,-0.6 4,-1.5 272,-0.3 -1,-0.2 0.860 109.1 54.5 -69.3 -36.1 16.4 -9.7 -13.0 37 43 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.849 103.3 55.6 -66.5 -35.6 15.0 -13.3 -12.9 38 44 A D H X S+ 0 0 94 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.875 105.9 52.4 -62.6 -37.6 17.5 -14.3 -15.6 39 45 A L H X S+ 0 0 56 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.845 108.2 50.8 -67.3 -34.7 20.3 -13.1 -13.3 40 46 A V H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.938 111.6 47.1 -66.8 -47.9 18.8 -15.2 -10.5 41 47 A V H >X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 3,-0.7 0.949 111.9 50.0 -57.1 -52.5 18.7 -18.3 -12.7 42 48 A Q H 3X>S+ 0 0 63 -4,-2.7 4,-3.0 1,-0.2 5,-0.8 0.888 105.0 59.5 -52.8 -42.2 22.3 -17.7 -13.9 43 49 A T H 3X>S+ 0 0 22 -4,-1.8 5,-1.9 1,-0.2 4,-0.8 0.858 115.2 33.1 -58.9 -37.0 23.5 -17.3 -10.3 44 50 A Y H <<5S+ 0 0 10 -4,-1.3 75,-0.3 -3,-0.7 -1,-0.2 0.613 119.5 51.6 -99.5 -13.6 22.3 -20.8 -9.4 45 51 A E H <5S+ 0 0 67 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.854 132.5 4.2 -81.8 -39.2 23.0 -22.4 -12.7 46 52 A H H <5S+ 0 0 28 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.599 129.8 40.7-126.2 -17.1 26.6 -21.3 -13.1 47 53 A K T <> S- 0 0 15 -2,-0.5 3,-2.0 66,-0.3 4,-0.6 -0.938 77.6 -63.7-166.4-175.6 27.4 -24.7 -6.2 50 56 A P H 3> S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.675 113.4 77.4 -60.2 -21.4 29.3 -27.4 -4.2 51 57 A R H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.801 91.1 57.7 -58.7 -28.6 32.6 -26.2 -5.6 52 58 A N H <> S+ 0 0 20 -3,-2.0 4,-1.8 64,-0.2 3,-0.3 0.971 107.3 43.2 -63.4 -56.1 32.3 -23.4 -3.1 53 59 A G H X S+ 0 0 0 63,-2.4 4,-3.0 -4,-0.6 -2,-0.2 0.865 109.3 60.2 -57.6 -37.5 32.0 -25.6 -0.1 54 60 A A H X S+ 0 0 1 -4,-2.4 4,-2.9 62,-0.3 -1,-0.2 0.910 104.6 48.1 -58.0 -44.7 34.8 -27.7 -1.5 55 61 A K H X S+ 0 0 77 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.881 111.4 51.8 -63.2 -38.4 37.1 -24.7 -1.4 56 62 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.948 112.8 43.8 -61.7 -50.3 36.0 -24.1 2.2 57 63 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.954 112.7 51.5 -60.0 -52.3 36.7 -27.7 3.3 58 64 A A H X S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.883 110.3 49.5 -52.7 -43.2 40.0 -27.8 1.5 59 65 A K H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 8,-0.2 0.883 109.3 51.0 -67.1 -39.0 41.2 -24.6 3.1 60 66 A A H < S+ 0 0 3 -4,-1.9 7,-0.3 1,-0.2 -1,-0.2 0.825 106.7 57.1 -66.3 -31.1 40.2 -25.8 6.6 61 67 A W H < S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.881 118.2 29.5 -66.5 -39.4 42.2 -29.0 5.9 62 68 A V H < S+ 0 0 52 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.707 117.6 58.3 -95.1 -22.9 45.4 -27.1 5.2 63 69 A D X - 0 0 49 -4,-2.4 4,-2.3 -5,-0.2 3,-0.3 -0.831 55.6-176.9-119.1 94.7 44.9 -24.1 7.5 64 70 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.789 86.5 54.6 -57.4 -34.7 44.4 -24.9 11.2 65 71 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.895 109.8 46.3 -67.8 -41.6 43.8 -21.2 12.0 66 72 A Y H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.902 109.7 54.8 -66.0 -41.7 41.1 -20.9 9.4 67 73 A K H X S+ 0 0 61 -4,-2.3 4,-2.5 -7,-0.3 5,-0.2 0.913 107.5 49.9 -58.0 -44.4 39.5 -24.1 10.6 68 74 A A H X S+ 0 0 62 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.906 113.1 46.1 -61.0 -43.9 39.3 -22.7 14.2 69 75 A R H X S+ 0 0 107 -4,-1.8 4,-2.2 2,-0.2 8,-0.3 0.909 112.1 51.7 -64.0 -42.7 37.7 -19.5 12.9 70 76 A L H < S+ 0 0 1 -4,-3.0 23,-0.4 1,-0.2 7,-0.2 0.896 110.7 46.5 -62.8 -42.7 35.3 -21.4 10.7 71 77 A L H < S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.706 113.7 50.1 -74.7 -20.0 34.1 -23.7 13.5 72 78 A A H < S+ 0 0 87 -4,-1.1 2,-0.2 1,-0.3 -2,-0.2 0.815 132.6 8.7 -84.6 -34.8 33.7 -20.6 15.8 73 79 A D X - 0 0 83 -4,-2.2 4,-2.5 -5,-0.1 -1,-0.3 -0.737 63.3-174.0-150.7 95.8 31.7 -18.6 13.3 74 80 A G H > S+ 0 0 4 17,-0.7 4,-2.4 -2,-0.2 5,-0.2 0.852 84.9 53.2 -59.9 -40.2 30.5 -20.4 10.1 75 81 A T H > S+ 0 0 40 16,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.936 114.5 40.0 -64.0 -49.0 29.1 -17.3 8.4 76 82 A A H > S+ 0 0 46 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.896 113.4 57.7 -65.2 -40.6 32.3 -15.3 8.8 77 83 A G H >< S+ 0 0 1 -4,-2.5 3,-0.5 -8,-0.3 4,-0.3 0.927 109.8 40.9 -56.7 -51.2 34.4 -18.3 7.9 78 84 A I H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.9 0.737 108.3 64.0 -71.2 -21.4 32.8 -19.0 4.6 79 85 A A H ><5S+ 0 0 39 -4,-1.1 3,-2.5 1,-0.2 -1,-0.2 0.812 86.7 70.2 -71.2 -30.6 32.7 -15.2 3.9 80 86 A E T <<5S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.753 103.1 45.1 -57.1 -23.6 36.5 -15.2 3.9 81 87 A L T < 5S- 0 0 34 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.245 128.4 -99.7-104.4 9.7 36.2 -17.1 0.6 82 88 A G T < 5S+ 0 0 41 -3,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.720 79.9 132.0 82.6 23.7 33.5 -14.8 -0.7 83 89 A F < + 0 0 28 -5,-1.9 2,-0.3 -8,-0.1 -1,-0.3 -0.921 24.0 110.9-112.4 134.7 30.5 -16.9 0.1 84 90 A S + 0 0 55 -2,-0.4 2,-0.3 31,-0.1 5,-0.1 -0.969 29.1 67.7 180.0 167.1 27.4 -15.6 1.8 85 91 A G > + 0 0 4 234,-0.3 3,-2.0 -2,-0.3 233,-0.2 -0.754 67.9 42.1 115.1-150.6 23.8 -14.6 1.4 86 92 A V T 3 S- 0 0 30 231,-1.9 28,-0.1 -2,-0.3 234,-0.1 -0.070 124.5 -0.2 -47.8 125.0 20.4 -16.3 0.9 87 93 A Q T 3 S+ 0 0 19 27,-0.1 27,-0.8 26,-0.1 -1,-0.3 0.714 126.7 69.7 67.2 23.8 19.9 -19.4 2.9 88 94 A G < + 0 0 0 -3,-2.0 3,-0.5 25,-0.2 -3,-0.2 0.127 55.3 117.0-150.4 18.9 23.3 -19.1 4.4 89 95 A E S S+ 0 0 33 1,-0.3 2,-0.4 -4,-0.2 233,-0.1 0.826 86.2 30.7 -63.8 -34.8 23.0 -16.1 6.7 90 96 A D S S- 0 0 34 72,-0.4 74,-2.2 -15,-0.1 -1,-0.3 -0.725 83.4-174.4-129.5 84.2 23.7 -18.1 9.8 91 97 A M E -a 164 0A 8 -3,-0.5 -17,-0.7 -2,-0.4 -16,-0.6 -0.513 12.4-170.2 -84.4 141.9 26.0 -21.0 9.1 92 98 A V E -a 165 0A 30 72,-2.5 74,-1.5 -2,-0.2 2,-0.5 -0.974 14.5-147.9-129.4 119.9 27.1 -23.7 11.5 93 99 A I E -a 166 0A 13 -2,-0.4 2,-0.6 -23,-0.4 74,-0.2 -0.742 6.3-150.6 -92.9 127.5 29.9 -26.0 10.4 94 100 A L E -a 167 0A 7 72,-2.7 74,-3.4 -2,-0.5 2,-0.6 -0.855 9.5-146.5-103.7 114.9 29.8 -29.6 11.6 95 101 A E E -a 168 0A 76 -2,-0.6 2,-0.3 72,-0.2 5,-0.1 -0.683 7.1-142.9 -86.6 116.2 33.2 -31.3 12.1 96 102 A N + 0 0 7 72,-2.4 5,-0.2 -2,-0.6 -1,-0.0 -0.589 27.1 178.3 -71.9 134.2 33.4 -35.0 11.4 97 103 A T - 0 0 39 3,-2.7 73,-0.1 -2,-0.3 5,-0.0 -0.780 47.8 -95.8-128.9 172.6 35.7 -36.8 13.7 98 104 A P S S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.757 129.1 39.1 -60.1 -21.7 36.8 -40.4 14.3 99 105 A A S S+ 0 0 62 1,-0.2 54,-1.9 53,-0.1 2,-0.4 0.714 118.1 47.3 -98.5 -25.9 34.1 -40.6 17.0 100 106 A V E -b 153 0B 13 52,-0.2 -3,-2.7 -5,-0.1 2,-0.5 -0.967 54.3-169.2-128.8 130.3 31.4 -38.6 15.3 101 107 A H E -b 154 0B 0 52,-2.8 54,-3.0 -2,-0.4 2,-0.2 -0.968 18.4-157.1-115.6 118.7 29.8 -38.6 11.8 102 108 A N E +b 155 0B 3 -2,-0.5 2,-0.3 52,-0.2 54,-0.2 -0.636 18.4 165.0 -95.4 149.7 27.5 -35.7 11.0 103 109 A V E -b 156 0B 0 52,-1.9 54,-2.6 -2,-0.2 2,-0.3 -0.926 17.8-150.3-159.0 138.9 24.7 -35.5 8.4 104 110 A F E +b 157 0B 0 89,-1.9 2,-0.3 -2,-0.3 54,-0.2 -0.756 16.5 166.3-117.8 162.4 21.9 -33.0 8.0 105 111 A V E -b 158 0B 0 52,-2.4 54,-3.3 -2,-0.3 2,-0.5 -0.969 33.5-128.9-159.0 161.9 18.4 -32.9 6.7 106 112 A C + 0 0 0 18,-0.4 3,-0.5 -2,-0.3 24,-0.1 -0.834 22.5 178.9-121.3 93.3 15.2 -30.8 6.6 107 113 A T S S+ 0 0 0 -2,-0.5 102,-1.0 1,-0.2 103,-0.2 0.817 81.9 52.2 -62.2 -29.4 12.4 -33.1 7.7 108 114 A L S S- 0 0 5 100,-0.2 -1,-0.2 51,-0.1 52,-0.1 0.747 131.8 -45.3 -84.6 -25.2 9.9 -30.2 7.4 109 115 A X S S- 0 0 30 -3,-0.5 -3,-0.2 50,-0.1 21,-0.1 -0.022 87.6 -51.0-161.6 -85.4 10.8 -29.1 3.8 110 116 A S + 0 0 8 49,-0.1 15,-0.1 -5,-0.1 -3,-0.1 0.206 57.6 165.9-163.8 17.7 14.1 -28.5 2.0 111 117 A X + 0 0 9 48,-0.2 48,-0.2 14,-0.0 -2,-0.1 -0.225 17.3 154.3 -62.4 138.1 16.4 -26.2 4.1 112 118 A Y - 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0 0 6 -74,-0.1 2,-0.4 -72,-0.0 -2,-0.2 -0.610 59.6-151.9 -76.0 143.3 20.6 -22.1 11.2 164 170 A R E -a 91 0A 6 -74,-2.2 -72,-2.5 -2,-0.3 2,-0.3 -0.979 9.5-147.3-121.3 135.0 22.0 -23.7 8.1 165 171 A Y E +a 92 0A 1 -2,-0.4 2,-0.4 -74,-0.2 -72,-0.2 -0.775 17.4 178.6-109.7 143.1 24.4 -26.7 8.4 166 172 A M E -a 93 0A 0 -74,-1.5 -72,-2.7 -2,-0.3 2,-0.4 -0.995 25.9-128.9-137.6 135.8 27.4 -27.9 6.4 167 173 A V E -a 94 0A 0 25,-2.8 -72,-0.2 -2,-0.4 27,-0.1 -0.688 6.5-147.6 -89.4 129.3 29.5 -30.9 7.2 168 174 A L E -a 95 0A 3 -74,-3.4 -72,-2.4 -2,-0.4 -66,-0.1 -0.841 27.0-143.6 -91.6 104.0 33.3 -30.7 7.3 169 175 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 28,-0.1 -0.214 19.7 -99.8 -67.1 156.6 34.4 -34.1 6.1 170 176 A E - 0 0 65 -73,-0.1 -73,-0.1 1,-0.1 -109,-0.0 -0.534 45.8-101.8 -72.8 144.0 37.4 -35.9 7.5 171 177 A R - 0 0 90 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.538 40.0-112.4 -72.3 125.5 40.5 -35.6 5.3 172 178 A P - 0 0 7 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.181 35.2-105.0 -55.1 147.5 41.2 -38.7 3.3 173 179 A A S S+ 0 0 81 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.461 99.5 34.4 -74.5 148.0 44.3 -40.7 4.2 174 180 A G S S+ 0 0 65 -2,-0.1 -1,-0.2 27,-0.1 0, 0.0 0.872 79.5 114.8 77.3 39.7 47.3 -40.5 1.9 175 181 A T > + 0 0 4 -3,-0.4 3,-1.6 -4,-0.1 -2,-0.1 0.034 38.5 160.7-127.6 28.1 46.9 -36.9 0.8 176 182 A E T 3 - 0 0 176 1,-0.3 3,-0.1 0, 0.0 -3,-0.0 -0.120 69.2 -0.6 -52.6 140.7 50.0 -35.3 2.3 177 183 A A T 3 S+ 0 0 105 1,-0.2 -1,-0.3 -115,-0.0 2,-0.1 0.631 89.2 157.6 51.9 14.8 51.3 -32.0 1.0 178 184 A Y < - 0 0 76 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.1 -0.438 46.2-111.1 -59.6 141.7 48.4 -32.0 -1.5 179 185 A S > - 0 0 41 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.317 24.8-108.4 -70.6 161.6 47.6 -28.5 -2.6 180 186 A E H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.916 121.1 52.4 -54.8 -42.3 44.4 -26.8 -1.5 181 187 A E H > S+ 0 0 51 321,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.883 108.9 46.8 -64.2 -42.7 43.1 -27.2 -5.1 182 188 A Q H 4 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.838 111.7 52.1 -70.2 -33.0 43.9 -30.9 -5.4 183 189 A L H >X S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.6 0.859 102.4 59.8 -68.6 -36.1 42.2 -31.5 -2.0 184 190 A A H >< S+ 0 0 8 -4,-1.9 3,-0.7 1,-0.3 -1,-0.2 0.778 94.7 63.3 -64.7 -27.9 39.1 -29.7 -3.1 185 191 A E T 3< S+ 0 0 126 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.672 98.8 56.4 -70.8 -16.6 38.6 -32.2 -5.9 186 192 A L T <4 S+ 0 0 20 -3,-1.4 13,-2.5 -4,-0.3 2,-1.0 0.688 86.0 92.0 -86.1 -20.9 38.2 -34.9 -3.4 187 193 A V << - 0 0 1 -3,-0.7 -133,-0.1 -4,-0.6 2,-0.1 -0.657 61.5-169.1 -84.5 102.5 35.3 -33.1 -1.6 188 194 A T > - 0 0 47 -2,-1.0 4,-0.9 1,-0.1 5,-0.1 -0.376 35.5-112.0 -82.8 164.5 32.0 -34.3 -3.1 189 195 A R H >> S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 3,-1.1 0.938 120.0 54.3 -58.2 -46.6 28.6 -32.7 -2.5 190 196 A D H 3>>S+ 0 0 38 1,-0.3 4,-2.7 2,-0.2 5,-1.3 0.863 101.8 56.9 -55.7 -40.1 27.6 -35.8 -0.6 191 197 A S H 345S+ 0 0 0 1,-0.2 -1,-0.3 4,-0.2 -2,-0.2 0.752 109.0 47.4 -66.0 -23.5 30.6 -35.6 1.7 192 198 A M H <<5S+ 0 0 0 -3,-1.1 -25,-2.8 -4,-0.9 -1,-0.2 0.630 113.6 46.2 -92.9 -16.8 29.5 -32.1 2.7 193 199 A I H <5S- 0 0 0 -4,-1.1 -89,-1.9 -3,-0.5 -2,-0.2 0.766 113.6-117.9 -87.7 -32.7 25.9 -33.2 3.3 194 200 A G T <5S+ 0 0 0 -4,-2.7 -3,-0.2 -91,-0.2 -4,-0.1 0.361 88.3 108.9 109.7 -0.2 27.1 -36.2 5.3 195 201 A T S S- 0 0 18 -2,-2.3 3,-1.8 1,-0.0 54,-0.1 -0.446 71.5 -90.1-106.8 177.8 0.2 -32.2 7.9 206 4 B I T 3 S+ 0 0 53 1,-0.3 52,-0.1 52,-0.2 -2,-0.1 0.715 117.6 70.6 -58.5 -21.3 1.8 -34.5 5.3 207 5 B H T 3 S+ 0 0 4 51,-0.2 2,-2.1 1,-0.2 -1,-0.3 0.789 76.9 81.6 -69.2 -28.6 4.8 -32.2 5.2 208 6 B D < + 0 0 22 -3,-1.8 -1,-0.2 1,-0.2 -100,-0.2 -0.519 57.3 158.1 -78.8 77.6 5.9 -33.3 8.7 209 7 B T > + 0 0 4 -2,-2.1 3,-2.6 -102,-1.0 -1,-0.2 0.654 16.7 130.1 -82.7 -19.8 7.6 -36.4 7.4 210 8 B G T 3 S+ 0 0 11 1,-0.3 -79,-0.2 -3,-0.2 -78,-0.1 -0.114 82.7 4.9 -46.2 111.8 10.0 -37.2 10.2 211 9 B G T 3 S+ 0 0 20 -80,-2.3 -1,-0.3 1,-0.3 -79,-0.1 0.431 92.7 142.9 97.9 0.9 9.6 -40.8 11.2 212 10 B A < - 0 0 31 -3,-2.6 -1,-0.3 -85,-0.1 2,-0.3 -0.387 36.2-147.1 -76.2 150.4 7.2 -41.9 8.6 213 11 B H + 0 0 167 1,-0.1 -1,-0.0 -2,-0.1 -81,-0.0 -0.735 67.4 45.4-109.1 163.4 7.3 -45.3 6.9 214 12 B G + 0 0 73 -2,-0.3 -1,-0.1 -86,-0.0 -2,-0.0 0.498 69.2 110.6 89.2 5.0 6.4 -46.4 3.4 215 13 B Y - 0 0 28 1,-0.2 -210,-0.2 -3,-0.2 -86,-0.1 0.648 69.6-151.3 -84.7 -15.6 8.0 -43.7 1.3 216 14 B G - 0 0 32 -88,-0.1 -1,-0.2 -89,-0.1 -84,-0.1 -0.312 35.0 -7.9 88.6-163.9 10.6 -46.3 0.1 217 15 B P - 0 0 94 0, 0.0 2,-1.3 0, 0.0 -88,-0.1 -0.336 67.9-109.9 -70.8 149.2 14.2 -46.2 -1.1 218 16 B V - 0 0 12 -90,-0.2 2,-0.3 -78,-0.1 -2,-0.1 -0.701 37.9-160.7 -81.3 95.4 16.0 -42.9 -1.7 219 17 B Y - 0 0 90 -2,-1.3 2,-0.4 -96,-0.1 -90,-0.1 -0.589 6.4-166.5 -76.6 138.3 16.3 -42.8 -5.4 220 18 B R - 0 0 63 -2,-0.3 -2,-0.0 -98,-0.1 -1,-0.0 -0.962 17.3-134.0-134.7 117.3 19.0 -40.5 -6.7 221 19 B E > - 0 0 55 -2,-0.4 3,-0.8 1,-0.1 2,-0.2 -0.509 28.7-123.9 -66.3 126.4 19.5 -39.3 -10.3 222 20 B P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.545 89.2 4.3 -70.3 137.2 23.1 -39.6 -11.3 223 21 B N T 3 S- 0 0 167 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.866 89.9-167.1 57.5 43.7 24.7 -36.3 -12.6 224 22 B E < - 0 0 31 -3,-0.8 -1,-0.2 1,-0.1 2,-0.1 -0.387 12.8-129.7 -70.2 132.3 21.5 -34.3 -11.8 225 23 B P - 0 0 69 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.388 19.3-117.3 -76.5 157.9 21.2 -30.8 -13.3 226 24 B V S S+ 0 0 65 1,-0.3 2,-0.5 -181,-0.1 -181,-0.1 0.924 110.0 29.2 -58.1 -44.9 20.2 -27.8 -11.2 227 25 B F - 0 0 14 1,-0.1 -1,-0.3 -182,-0.1 3,-0.0 -0.958 64.4-173.4-122.6 114.6 17.1 -27.5 -13.3 228 26 B R S S+ 0 0 60 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.781 78.4 26.3 -76.7 -28.6 15.6 -30.6 -14.9 229 27 B Y S >> S- 0 0 72 1,-0.1 4,-0.7 -213,-0.0 3,-0.5 -0.950 77.3-123.2-132.0 156.4 13.1 -28.6 -16.8 230 28 B D H >> S+ 0 0 115 -2,-0.3 4,-1.1 1,-0.2 3,-1.1 0.877 109.2 60.7 -63.2 -40.0 13.0 -25.1 -18.2 231 29 B W H 3> S+ 0 0 16 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.797 95.4 63.8 -61.9 -27.5 9.7 -24.2 -16.4 232 30 B E H <> S+ 0 0 11 -3,-0.5 4,-3.1 1,-0.2 -1,-0.3 0.866 97.1 56.9 -61.2 -37.5 11.5 -24.9 -13.1 233 31 B K H < S+ 0 0 1 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.925 110.4 50.0 -63.2 -46.2 12.5 -20.8 -9.0 237 35 B S H 3X S+ 0 0 2 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.667 99.5 68.4 -69.9 -16.4 13.5 -17.3 -10.0 238 36 B L H 3X S+ 0 0 2 -4,-1.0 4,-2.3 -3,-0.4 5,-0.3 0.834 87.5 67.0 -70.6 -33.0 10.0 -16.0 -9.1 239 37 B L H S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.878 113.5 55.5 -62.3 -36.1 13.2 -13.9 -4.8 241 39 B A H X S+ 0 0 1 -4,-1.0 4,-1.0 1,-0.2 67,-0.4 0.887 113.4 39.4 -62.7 -41.7 11.3 -11.5 -7.1 242 40 B L H X>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 4,-0.8 0.851 113.4 53.3 -80.3 -37.3 8.2 -11.8 -5.0 243 41 B L H ><5S+ 0 0 55 -4,-2.5 3,-0.8 -5,-0.3 -2,-0.2 0.904 107.4 54.1 -60.4 -40.8 9.9 -11.9 -1.6 244 42 B A H 3<5S+ 0 0 13 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 103.4 55.0 -63.7 -36.7 11.7 -8.7 -2.6 245 43 B N H 3<5S- 0 0 27 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.747 111.9-123.7 -64.3 -24.0 8.4 -7.0 -3.4 246 44 B G T <<5 + 0 0 59 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.699 65.6 143.6 80.7 22.6 7.3 -7.8 0.2 247 45 B N S - 0 0 58 -2,-0.3 4,-1.6 127,-0.1 3,-0.3 -0.581 35.8-106.0 -95.7 164.9 7.3 -13.4 4.0 250 48 B L H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.766 117.4 55.6 -61.9 -28.0 9.2 -16.8 3.9 251 49 B D H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 106.4 48.5 -74.5 -41.1 7.1 -18.2 6.8 252 50 B E H > S+ 0 0 27 -3,-0.3 4,-1.3 124,-0.2 -1,-0.2 0.833 110.3 56.8 -62.5 -32.0 3.8 -17.5 5.1 253 51 B F H >X S+ 0 0 8 -4,-1.6 4,-1.4 2,-0.2 3,-0.5 0.961 106.3 45.7 -63.9 -53.8 5.4 -19.2 2.1 254 52 B R H 3X S+ 0 0 22 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.904 113.2 50.7 -55.3 -43.8 6.2 -22.4 4.0 255 53 B H H 3X S+ 0 0 13 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.742 102.4 60.5 -72.3 -23.0 2.8 -22.6 5.5 256 54 B S H << S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.5 3,-0.2 0.877 108.0 45.2 -67.6 -37.7 1.1 -22.1 2.1 257 55 B I H >< S+ 0 0 20 -4,-1.4 3,-1.5 -3,-0.3 -2,-0.2 0.879 107.5 57.0 -72.3 -39.3 2.8 -25.3 1.0 258 56 B E H 3< S+ 0 0 10 -4,-1.9 -1,-0.2 1,-0.3 -51,-0.2 0.732 105.1 55.9 -61.9 -20.5 1.8 -27.1 4.2 259 57 B R T 3< S+ 0 0 102 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.378 81.6 104.0 -99.7 2.4 -1.8 -26.2 3.3 260 58 B M S < S- 0 0 18 -3,-1.5 5,-0.1 1,-0.1 13,-0.0 -0.471 91.1 -72.9 -77.2 158.2 -2.0 -27.7 -0.2 261 59 B G > - 0 0 26 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.221 40.5-126.0 -53.0 136.2 -3.9 -31.0 -0.6 262 60 B P H > S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.869 111.5 46.4 -52.6 -42.6 -1.9 -34.0 0.9 263 61 B A H > S+ 0 0 63 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.915 111.7 50.2 -66.8 -45.5 -2.2 -35.9 -2.4 264 62 B H H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 109.3 53.4 -59.7 -38.3 -1.2 -32.8 -4.5 265 63 B Y H < S+ 0 0 14 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.898 114.6 40.1 -63.3 -41.8 1.8 -32.4 -2.1 266 64 B L H < S+ 0 0 47 -4,-1.7 -259,-0.2 -5,-0.2 -2,-0.2 0.887 118.6 45.2 -76.3 -41.4 3.0 -36.0 -2.7 267 65 B E H < S+ 0 0 118 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.869 98.4 88.5 -69.4 -37.9 2.2 -36.1 -6.4 268 66 B G S < S- 0 0 9 -4,-2.3 -259,-0.1 -5,-0.3 -261,-0.1 -0.368 77.5-125.4 -71.0 136.4 3.8 -32.8 -7.2 269 67 B T >> - 0 0 2 -2,-0.1 3,-1.8 1,-0.1 4,-1.0 -0.322 43.2 -90.8 -67.4 163.4 7.4 -32.3 -8.0 270 68 B Y H >> S+ 0 0 41 -263,-0.3 3,-1.2 1,-0.3 4,-0.9 0.862 124.6 48.1 -48.3 -51.6 9.3 -29.8 -5.8 271 69 B Y H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.587 99.6 67.1 -75.0 -8.8 8.7 -26.7 -7.9 272 70 B E H <> S+ 0 0 25 -3,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.814 96.0 58.3 -71.8 -32.2 5.0 -27.4 -8.3 273 71 B H H S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.9 0.915 109.8 50.6 -57.6 -45.0 2.1 -20.9 -3.4 278 76 B F H <5S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.850 113.0 45.3 -64.6 -35.2 2.3 -18.3 -6.1 279 77 B E H <5S+ 0 0 37 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.678 129.3 23.6 -81.4 -18.7 -1.1 -19.1 -7.5 280 78 B N H X5S+ 0 0 61 -4,-1.3 4,-2.2 -3,-0.4 3,-0.3 0.787 118.1 50.5-116.8 -47.3 -2.8 -19.2 -4.1 281 79 B L H X5S+ 0 0 5 -4,-2.6 4,-2.2 -5,-0.3 -3,-0.2 0.832 108.4 56.9 -66.6 -32.2 -0.9 -17.2 -1.5 282 80 B L H 4XS+ 0 0 0 -5,-0.9 5,-2.7 -4,-0.3 6,-1.7 0.828 109.1 46.6 -66.4 -31.6 -0.8 -14.2 -3.8 283 81 B V H >45S+ 0 0 44 -3,-0.3 3,-0.7 3,-0.2 -2,-0.2 0.893 110.7 51.3 -76.1 -41.3 -4.6 -14.3 -4.0 284 82 B E H 3<5S+ 0 0 104 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.887 111.0 48.7 -61.2 -39.5 -5.0 -14.7 -0.2 285 83 B K T 3<5S- 0 0 94 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.595 115.2-120.4 -77.6 -11.3 -2.7 -11.6 0.2 286 84 B G T < 5S+ 0 0 60 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.779 80.6 120.9 76.7 27.4 -4.8 -9.8 -2.3 287 85 B V S - 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0 0 84 -2,-0.3 -274,-0.1 784,-0.1 -272,-0.1 -0.990 31.0-112.0-126.6 127.0 6.9 -1.7 -10.2 306 104 B P - 0 0 17 0, 0.0 -274,-0.1 0, 0.0 -275,-0.1 -0.315 19.0-161.0 -58.5 128.2 9.3 -4.7 -9.7 307 105 B V S S+ 0 0 15 -276,-0.4 2,-1.2 -66,-0.3 5,-0.1 0.844 78.8 73.7 -77.4 -35.6 11.5 -4.3 -6.6 308 106 B L + 0 0 3 -67,-0.4 -275,-0.4 -277,-0.3 -272,-0.3 -0.684 68.8 169.0 -82.8 97.1 14.0 -6.9 -7.9 309 107 B T >> - 0 0 48 -2,-1.2 3,-1.8 -273,-0.1 4,-0.9 -0.727 49.4-105.6-107.0 158.9 15.8 -5.1 -10.7 310 108 B P G >4 S+ 0 0 55 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.826 116.1 63.2 -49.7 -35.7 18.9 -6.3 -12.5 311 109 B A G 34 S+ 0 0 34 1,-0.2 4,-0.2 852,-0.1 850,-0.1 0.751 111.8 32.6 -65.3 -26.4 21.0 -3.7 -10.7 312 110 B I G <> S+ 0 0 3 -3,-1.8 4,-2.7 2,-0.1 5,-0.3 0.431 88.6 97.9-112.9 -1.4 20.4 -5.2 -7.2 313 111 B V H S+ 0 0 113 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.899 115.8 49.6 -57.8 -44.5 23.7 -9.8 -7.0 315 113 B G H > S+ 0 0 11 -4,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.893 113.1 46.1 -63.2 -41.6 23.7 -7.6 -3.9 316 114 B L H X S+ 0 0 40 -4,-2.7 4,-3.0 2,-0.2 3,-0.5 0.938 114.5 46.2 -67.0 -47.9 20.4 -9.0 -2.7 317 115 B L H < S+ 0 0 10 -4,-2.7 -231,-1.9 -5,-0.3 -2,-0.2 0.830 113.7 49.7 -65.1 -32.8 21.4 -12.6 -3.2 318 116 B S H < S+ 0 0 45 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.700 119.4 37.6 -78.4 -20.6 24.8 -12.0 -1.6 319 117 B T H < S+ 0 0 56 -4,-1.0 -234,-0.3 -3,-0.5 -2,-0.2 0.871 82.2 174.2 -98.4 -48.7 23.3 -10.4 1.4 320 118 B G < - 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0 0 30 -3,-0.7 -1,-0.2 1,-0.1 2,-0.1 -0.508 4.7-135.4 -76.7 129.3 26.4 26.8 -0.3 1068 23 F P - 0 0 64 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.388 20.0-117.2 -76.2 157.9 26.8 23.3 1.2 1069 24 F V S S+ 0 0 63 1,-0.3 2,-0.5 -181,-0.1 -181,-0.1 0.924 110.1 29.2 -58.2 -44.9 25.0 20.2 -0.2 1070 25 F F - 0 0 14 1,-0.1 -1,-0.3 -182,-0.1 3,-0.0 -0.958 64.4-173.4-122.5 114.6 23.3 19.9 3.2 1071 26 F R S S+ 0 0 62 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 0.783 78.4 26.3 -76.9 -28.4 22.7 23.1 5.2 1072 27 F Y S >> S- 0 0 73 1,-0.1 4,-0.7 -213,-0.0 3,-0.5 -0.950 77.3-123.3-131.9 156.5 21.4 21.2 8.2 1073 28 F D H >> S+ 0 0 121 -2,-0.3 4,-1.1 1,-0.2 3,-1.1 0.876 109.2 60.8 -63.4 -40.1 22.1 17.6 9.5 1074 29 F W H 3> S+ 0 0 20 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.796 95.4 63.7 -61.3 -27.6 18.4 16.7 9.5 1075 30 F E H <> S+ 0 0 12 -3,-0.5 4,-3.1 1,-0.2 -1,-0.3 0.866 97.1 56.9 -61.6 -37.4 18.3 17.3 5.8 1076 31 F K H < S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.924 110.4 49.9 -63.8 -46.2 17.3 13.2 1.8 1080 35 F S H 3X S+ 0 0 2 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.666 99.7 68.3 -69.7 -16.7 18.7 9.7 2.2 1081 36 F L H 3X S+ 0 0 2 -4,-1.0 4,-2.3 -3,-0.4 5,-0.3 0.836 87.6 66.9 -70.4 -32.8 15.2 8.3 3.2 1082 37 F L H S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 113.5 55.6 -62.1 -36.2 16.0 6.2 -2.1 1084 39 F A H X S+ 0 0 2 -4,-1.0 4,-1.0 1,-0.2 67,-0.4 0.889 113.3 39.4 -62.9 -41.4 15.4 3.8 0.8 1085 40 F L H X>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 4,-0.8 0.855 113.3 53.3 -80.4 -37.4 11.7 4.0 0.5 1086 41 F L H ><5S+ 0 0 58 -4,-2.5 3,-0.8 -5,-0.3 -2,-0.2 0.906 107.4 54.0 -60.0 -41.4 11.6 4.0 -3.3 1087 42 F A H 3<5S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.848 103.4 55.0 -63.1 -36.9 13.7 0.9 -3.2 1088 43 F N H 3<5S- 0 0 15 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.748 111.9-123.7 -64.3 -24.0 11.1 -0.8 -0.9 1089 44 F G T <<5 + 0 0 44 -4,-0.8 -3,-0.2 -3,-0.8 -784,-0.1 0.702 65.6 143.7 80.7 22.5 8.5 -0.0 -3.5 1090 45 F N S - 0 0 44 -2,-0.3 4,-1.6 127,-0.2 3,-0.3 -0.582 35.8-106.0 -95.3 165.1 6.6 5.5 -7.0 1093 48 F L H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.765 117.4 55.4 -61.9 -27.9 8.2 8.8 -7.8 1094 49 F D H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 106.4 48.6 -75.1 -41.0 5.0 10.1 -9.4 1095 50 F E H > S+ 0 0 26 -3,-0.3 4,-1.3 124,-0.2 -1,-0.2 0.834 110.3 56.8 -62.3 -32.4 2.9 9.5 -6.3 1096 51 F F H X S+ 0 0 9 -4,-1.6 4,-1.4 2,-0.2 3,-0.5 0.960 106.3 45.7 -63.4 -54.5 5.7 11.3 -4.5 1097 52 F R H X S+ 0 0 24 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.906 113.2 50.7 -54.8 -44.6 5.5 14.5 -6.6 1098 53 F H H X S+ 0 0 15 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.744 102.4 60.5 -71.3 -23.6 1.7 14.5 -6.2 1099 54 F S H < S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.5 3,-0.2 0.875 108.1 45.1 -66.7 -37.7 2.0 14.1 -2.5 1100 55 F I H >< S+ 0 0 22 -4,-1.4 3,-1.5 -3,-0.4 -2,-0.2 0.877 107.4 57.1 -73.1 -39.2 3.9 17.4 -2.3 1101 56 F E H 3< S+ 0 0 10 -4,-1.9 -1,-0.2 1,-0.3 -51,-0.2 0.732 105.1 55.9 -61.5 -20.2 1.5 19.1 -4.7 1102 57 F R T 3< S+ 0 0 101 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.377 81.7 104.1-100.4 2.7 -1.2 18.2 -2.2 1103 58 F M S < S- 0 0 16 -3,-1.5 5,-0.1 1,-0.1 13,-0.0 -0.473 91.1 -72.9 -77.6 157.8 0.2 19.8 0.9 1104 59 F G > - 0 0 28 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.220 40.5-126.1 -52.0 135.3 -1.3 23.1 2.1 1105 60 F P H > S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.868 111.5 46.4 -52.0 -42.8 -0.3 26.1 -0.2 1106 61 F A H > S+ 0 0 64 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.915 111.7 50.2 -66.6 -45.6 1.0 28.0 2.8 1107 62 F H H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 109.2 53.4 -59.7 -38.1 3.0 25.0 4.2 1108 63 F Y H < S+ 0 0 15 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.900 114.6 40.0 -63.7 -41.7 4.5 24.5 0.7 1109 64 F L H < S+ 0 0 47 -4,-1.7 -259,-0.2 -5,-0.2 -2,-0.2 0.888 118.6 45.2 -76.5 -41.0 5.7 28.1 0.6 1110 65 F E H < S+ 0 0 117 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.870 98.3 88.5 -69.8 -37.8 6.8 28.4 4.2 1111 66 F G S < S- 0 0 9 -4,-2.3 -259,-0.1 -5,-0.3 -261,-0.1 -0.364 77.5-125.5 -71.1 136.4 8.6 25.0 4.2 1112 67 F T >> - 0 0 3 -2,-0.1 3,-1.8 1,-0.1 4,-1.0 -0.325 43.3 -90.6 -68.1 164.3 12.2 24.6 3.1 1113 68 F Y H >> S+ 0 0 38 -263,-0.3 3,-1.2 1,-0.3 4,-0.9 0.862 124.6 48.1 -49.4 -51.4 12.8 22.1 0.4 1114 69 F Y H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.581 99.6 67.1 -74.6 -8.4 13.4 19.0 2.5 1115 70 F E H <> S+ 0 0 26 -3,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.809 96.0 58.4 -72.5 -31.8 10.3 19.7 4.6 1116 71 F H H S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.9 0.914 109.8 50.6 -57.9 -45.2 5.4 13.1 1.9 1121 76 F F H <5S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.849 113.0 45.4 -64.3 -35.1 7.0 10.5 4.2 1122 77 F E H <5S+ 0 0 31 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.682 129.3 23.5 -81.3 -18.6 4.6 11.3 7.1 1123 78 F N H X5S+ 0 0 62 -4,-1.4 4,-2.2 -3,-0.4 3,-0.3 0.785 118.1 50.6-116.9 -46.9 1.5 11.4 4.9 1124 79 F L H X5S+ 0 0 4 -4,-2.7 4,-2.2 -5,-0.3 -3,-0.2 0.834 108.3 56.8 -67.0 -32.1 2.0 9.3 1.7 1125 80 F L H 4XS+ 0 0 0 -5,-0.9 5,-2.6 -4,-0.3 6,-2.0 0.825 109.1 46.7 -66.8 -31.3 3.2 6.4 3.8 1126 81 F V H >45S+ 0 0 40 -3,-0.3 3,-0.7 4,-0.2 -2,-0.2 0.891 110.6 51.3 -76.2 -41.5 -0.0 6.5 5.8 1127 82 F E H 3<5S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.885 111.0 48.8 -60.7 -39.8 -2.2 6.8 2.6 1128 83 F K T 3<5S- 0 0 93 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.594 115.1-120.5 -77.2 -11.2 -0.4 3.7 1.2 1129 84 F G T < 5S+ 0 0 62 -3,-0.7 -3,-0.2 2,-0.3 -2,-0.1 0.778 83.0 116.5 76.5 27.1 -1.0 1.9 4.5 1130 85 F V S - 0 0 61 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.743 25.7-117.3 -99.3 155.3 -0.7 4.4 10.4 1133 88 F A H > S+ 0 0 71 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.829 120.1 53.8 -56.4 -30.3 -1.7 8.0 11.2 1134 89 F T H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.943 104.5 51.1 -69.7 -50.3 -1.0 6.9 14.8 1135 90 F E H >>S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.9 0.894 109.7 51.0 -54.6 -44.6 2.5 5.6 14.2 1136 91 F V H <5S+ 0 0 28 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.908 112.0 46.9 -61.4 -44.0 3.5 8.8 12.4 1137 92 F A H <5S+ 0 0 86 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.966 121.6 34.3 -62.2 -54.0 2.2 11.0 15.3 1138 93 F T H <5S- 0 0 87 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.743 94.6-136.2 -75.4 -25.4 3.8 8.9 18.1 1139 94 F G T <5 + 0 0 15 -4,-2.6 2,-0.4 -5,-0.3 -3,-0.2 0.830 68.5 119.9 67.6 32.4 7.0 7.9 16.2 1140 95 F K < - 0 0 129 -5,-0.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.985 68.1-114.2-138.4 122.6 6.4 4.5 17.6 1141 96 F A - 0 0 2 -2,-0.4 4,-0.1 1,-0.1 -10,-0.0 -0.131 15.5-139.1 -57.3 146.7 5.8 1.3 15.7 1142 97 F A S S- 0 0 66 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.966 92.8 -0.0 -68.9 -54.4 2.4 -0.4 16.0 1143 98 F S S S- 0 0 79 1,-0.5 -761,-0.3 -271,-0.0 -1,-0.1 0.027 105.6-102.3-132.6 25.4 3.5 -4.1 16.2 1144 99 F G S S+ 0 0 29 -763,-0.1 -1,-0.5 -762,-0.1 -2,-0.2 -0.380 81.2 1.0 84.0-165.0 7.3 -4.0 16.0 1145 100 F K + 0 0 56 1,-0.1 -763,-0.3 -2,-0.1 -272,-0.2 -0.321 59.1 163.1 -60.4 135.4 9.4 -4.9 13.0 1146 101 F T + 0 0 75 -274,-2.7 2,-0.3 1,-0.1 -273,-0.2 0.371 56.6 34.5-136.0 -3.2 7.3 -5.7 10.0 1147 102 F A - 0 0 29 -275,-1.7 -1,-0.1 -272,-0.1 -272,-0.1 -0.923 65.3-126.0-146.3 169.4 9.6 -5.4 7.0 1148 103 F T - 0 0 74 -2,-0.3 -274,-0.1 -274,-0.1 -272,-0.1 -0.996 40.2-108.7-120.5 128.2 13.2 -5.9 5.9 1149 104 F P - 0 0 19 0, 0.0 -274,-0.1 0, 0.0 -275,-0.1 -0.313 21.2-161.0 -58.7 128.5 15.0 -2.9 4.2 1150 105 F V S S+ 0 0 20 -276,-0.4 2,-1.2 -66,-0.3 5,-0.1 0.845 78.8 73.6 -77.8 -35.5 15.5 -3.4 0.5 1151 106 F L + 0 0 5 -67,-0.4 -275,-0.3 -277,-0.3 -272,-0.2 -0.682 68.7 169.2 -82.8 97.2 18.2 -0.8 0.3 1152 107 F T >> - 0 0 23 -2,-1.2 3,-1.8 -273,-0.1 4,-0.9 -0.727 49.3-105.7-106.9 158.7 21.2 -2.5 2.0 1153 108 F P G >4 S+ 0 0 55 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.828 116.0 63.2 -49.5 -36.2 24.8 -1.2 2.0 1154 109 F A G 34 S+ 0 0 64 1,-0.2 4,-0.2 2,-0.1 -838,-0.1 0.747 111.9 32.5 -64.6 -26.5 25.8 -3.9 -0.5 1155 110 F I G <> S+ 0 0 5 -3,-1.8 4,-2.8 2,-0.1 5,-0.3 0.433 88.6 97.9-113.0 -1.4 23.5 -2.5 -3.3 1156 111 F V H S+ 0 0 117 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.900 115.8 49.7 -57.5 -45.1 26.3 2.1 -5.2 1158 113 F G H > S+ 0 0 28 -4,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.892 113.2 46.1 -62.3 -42.0 24.8 -0.2 -7.8 1159 114 F L H X S+ 0 0 32 -4,-2.8 4,-3.0 2,-0.2 3,-0.5 0.937 114.5 46.2 -67.0 -48.1 21.3 1.2 -7.4 1160 115 F L H < S+ 0 0 11 -4,-2.7 -231,-2.2 -5,-0.3 -2,-0.2 0.828 113.7 49.8 -64.9 -32.8 22.4 4.9 -7.4 1161 116 F S H < S+ 0 0 43 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.705 119.4 37.5 -78.5 -20.5 24.6 4.3 -10.5 1162 117 F T H < S+ 0 0 78 -4,-1.0 -234,-0.4 -3,-0.5 -2,-0.2 0.872 82.2 174.4 -98.5 -48.6 21.8 2.5 -12.4 1163 118 F G < - 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