==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-AUG-02 1MD3 . COMPND 2 MOLECULE: PI GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.K.-W.KONG,B.DRAGANI,A.ACETO,R.COCCO,B.MANNERVIK, . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 17 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 2 3 1 0 2 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A P 0 0 113 0, 0.0 56,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -32.5 30.3 3.0 38.2 2 3 A Y E -aB 27 56A 20 24,-0.6 26,-2.2 54,-0.2 2,-0.4 -0.888 360.0-171.6-113.1 144.5 27.3 3.0 35.8 3 4 A T E -aB 28 55A 21 52,-2.1 52,-2.1 -2,-0.4 2,-0.5 -0.997 7.7-159.7-135.5 131.4 23.6 3.0 36.6 4 5 A V E -aB 29 54A 1 24,-2.8 26,-3.6 -2,-0.4 2,-0.6 -0.952 6.2-165.9-109.7 123.3 20.7 2.6 34.1 5 6 A V E +aB 30 53A 7 48,-3.1 48,-1.6 -2,-0.5 2,-0.3 -0.936 34.0 128.9-111.7 111.9 17.3 3.9 35.3 6 7 A Y E -a 31 0A 18 24,-1.9 26,-2.4 -2,-0.6 -2,-0.0 -0.968 59.9 -85.2-156.9 168.3 14.6 2.6 33.1 7 8 A F - 0 0 50 -2,-0.3 2,-2.5 24,-0.2 26,-0.2 -0.326 61.5 -90.9 -70.5 162.5 11.2 0.9 32.7 8 9 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.390 96.5 94.2 -78.0 66.5 11.3 -2.9 32.7 9 10 A V S S- 0 0 10 -2,-2.5 193,-0.2 1,-0.2 194,-0.1 -0.945 77.6-125.7-147.5 163.9 11.6 -3.1 28.9 10 11 A R S >> S+ 0 0 37 191,-2.5 3,-2.4 -2,-0.3 4,-0.8 0.967 70.7 118.9 -74.9 -62.2 14.4 -3.4 26.4 11 12 A G G >4 S- 0 0 10 191,-2.8 3,-1.0 1,-0.3 4,-0.4 0.077 87.4 -6.6 38.7-130.5 13.2 -0.4 24.4 12 13 A R G 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.326 134.2 58.5 -78.2 6.6 15.7 2.4 24.2 13 14 A C G <> S+ 0 0 0 -3,-2.4 4,-2.0 2,-0.1 -1,-0.2 0.476 79.7 86.9-110.2 -7.0 18.1 0.8 26.6 14 15 A A H S+ 0 0 4 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.939 113.5 46.8 -63.5 -46.3 21.5 -1.0 22.5 16 17 A L H > S+ 0 0 1 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.830 112.1 51.5 -67.0 -29.8 23.5 0.6 25.4 17 18 A R H X S+ 0 0 14 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.898 109.3 50.0 -70.4 -42.7 23.1 -2.6 27.5 18 19 A M H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.915 111.2 50.6 -59.8 -42.8 24.5 -4.7 24.6 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.956 111.9 45.9 -59.1 -51.6 27.4 -2.2 24.4 20 21 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 -2,-0.2 0.919 116.0 45.9 -60.7 -44.3 28.2 -2.4 28.1 21 22 A A H ><5S+ 0 0 14 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.938 113.1 48.9 -65.3 -46.7 27.9 -6.2 28.2 22 23 A D H 3<5S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.0 49.4 -63.5 -30.7 30.0 -6.7 25.0 23 24 A Q T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.301 115.2-118.0 -89.9 6.5 32.7 -4.3 26.4 24 25 A G T < 5 + 0 0 52 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.782 62.5 149.5 61.8 31.8 32.7 -6.2 29.7 25 26 A Q < - 0 0 66 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.2 -0.593 39.1-135.8 -91.5 156.2 31.5 -3.2 31.7 26 27 A S + 0 0 76 -2,-0.2 -24,-0.6 2,-0.0 2,-0.3 -0.866 29.2 163.0-113.0 149.9 29.4 -3.6 34.9 27 28 A W E -a 2 0A 50 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.966 32.8-114.5-153.4 169.0 26.4 -1.6 35.7 28 29 A K E -a 3 0A 114 -26,-2.2 -24,-2.8 -2,-0.3 2,-0.6 -0.856 19.5-140.3-107.2 142.6 23.4 -1.5 38.0 29 30 A E E -a 4 0A 56 -2,-0.4 2,-0.8 -26,-0.2 -24,-0.2 -0.917 12.1-167.4-107.0 119.9 19.8 -1.6 36.7 30 31 A E E -a 5 0A 81 -26,-3.6 -24,-1.9 -2,-0.6 2,-0.4 -0.927 18.0-150.7-105.6 109.2 17.5 0.7 38.6 31 32 A V E -a 6 0A 92 -2,-0.8 2,-0.6 -26,-0.2 -24,-0.2 -0.683 9.2-161.2 -88.4 132.2 14.0 -0.5 37.6 32 33 A V - 0 0 10 -26,-2.4 2,-0.1 -2,-0.4 -2,-0.0 -0.940 11.7-145.5-113.8 116.5 11.1 2.0 37.5 33 34 A T > - 0 0 51 -2,-0.6 4,-2.8 -26,-0.2 5,-0.2 -0.438 23.6-118.1 -78.7 154.1 7.6 0.6 37.5 34 35 A V H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 118.3 55.1 -57.1 -35.5 4.8 2.2 35.6 35 36 A E H > S+ 0 0 131 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.921 108.5 46.2 -63.7 -44.3 3.1 2.7 39.0 36 37 A T H >> S+ 0 0 71 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.909 112.7 51.9 -63.7 -40.6 6.1 4.5 40.4 37 38 A W H >< S+ 0 0 40 -4,-2.8 3,-1.9 1,-0.2 6,-0.3 0.933 104.1 55.2 -60.7 -47.2 6.2 6.6 37.2 38 39 A Q H 3< S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.684 91.4 75.0 -61.7 -17.2 2.6 7.6 37.5 39 40 A E H << S- 0 0 125 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.819 95.2-145.0 -65.4 -29.9 3.4 8.9 41.0 40 41 A G S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.911 87.5 46.5 -63.5 -45.4 8.1 12.9 41.3 42 43 A L H >> S+ 0 0 36 -6,-0.3 3,-0.8 2,-0.2 4,-0.6 0.971 114.6 49.9 -59.4 -51.9 10.8 10.9 39.5 43 44 A K H >4 S+ 0 0 89 -6,-0.3 3,-1.6 1,-0.3 6,-0.3 0.906 108.1 51.5 -50.9 -51.2 9.4 12.2 36.1 44 45 A A H 3< S+ 0 0 87 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.798 109.2 52.7 -60.6 -27.9 9.3 15.8 37.3 45 46 A S H << S+ 0 0 73 -4,-1.4 2,-0.4 -3,-0.8 -1,-0.3 0.519 88.2 96.9 -85.6 -7.8 13.0 15.4 38.3 46 47 A C S X< S- 0 0 7 -3,-1.6 3,-1.7 -4,-0.6 5,-0.1 -0.690 83.1-124.6 -81.4 136.2 14.0 14.1 34.8 47 48 A L T 3 S+ 0 0 28 -2,-0.4 -1,-0.1 1,-0.3 292,-0.1 0.862 109.6 18.7 -47.1 -49.9 15.4 16.8 32.6 48 49 A Y T 3 S- 0 0 40 2,-0.3 -1,-0.3 288,-0.1 3,-0.1 0.021 115.0-104.9-111.0 22.9 12.9 16.2 29.8 49 50 A G S < S+ 0 0 13 -3,-1.7 2,-0.3 -6,-0.3 -2,-0.1 0.748 89.0 95.8 61.5 25.5 10.4 14.3 31.9 50 51 A Q - 0 0 110 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.897 62.5 -89.0-142.4 168.8 11.5 10.9 30.5 51 52 A L S S+ 0 0 19 -2,-0.3 2,-0.2 -3,-0.1 -45,-0.1 -0.846 74.4 75.5-117.7 162.7 13.7 7.8 30.9 52 53 A P - 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.350 55.9-178.8 -67.2 153.8 16.4 6.4 30.4 53 54 A K E -BC 5 62A 39 -48,-1.6 -48,-3.1 -2,-0.2 2,-0.4 -0.939 8.9-164.8-118.9 140.3 18.3 8.3 33.0 54 55 A F E -BC 4 61A 1 7,-2.9 7,-3.2 -2,-0.4 2,-0.4 -0.988 9.7-159.7-133.9 140.5 22.0 7.2 33.2 55 56 A Q E +BC 3 60A 54 -52,-2.1 -52,-2.1 -2,-0.4 2,-0.5 -0.983 11.1 178.6-124.0 130.3 24.7 7.8 35.8 56 57 A D E > S-BC 2 59A 42 3,-2.6 3,-2.2 -2,-0.4 -54,-0.2 -0.906 76.7 -55.1-126.0 93.0 28.4 7.6 35.2 57 58 A G T 3 S- 0 0 52 -56,-2.1 -1,-0.1 -2,-0.5 -54,-0.1 -0.488 120.9 -22.0 66.4-133.8 29.8 8.5 38.6 58 59 A D T 3 S+ 0 0 147 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.363 115.0 106.5 -90.7 10.2 28.3 11.9 39.4 59 60 A L E < -C 56 0A 14 -3,-2.2 -3,-2.6 2,-0.0 2,-0.5 -0.790 55.7-163.1 -89.5 118.7 27.6 12.6 35.8 60 61 A T E -C 55 0A 55 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.908 10.3-176.6-107.1 124.5 23.8 12.3 35.2 61 62 A L E -C 54 0A 0 -7,-3.2 -7,-2.9 -2,-0.5 2,-0.3 -0.896 13.4-169.0-121.8 150.5 22.7 12.0 31.6 62 63 A Y E +C 53 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.842 53.0 66.0-125.2 164.5 19.3 11.7 29.8 63 64 A Q S >> S- 0 0 25 -11,-0.8 4,-2.3 -2,-0.3 3,-0.9 0.787 70.7-125.7 85.2 109.0 18.6 10.8 26.1 64 65 A S H 3> S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.837 110.4 48.6 -51.0 -40.5 19.5 7.3 24.9 65 66 A N H 3> S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.789 107.6 54.7 -74.5 -25.0 21.7 8.6 22.0 66 67 A T H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.924 109.3 49.0 -69.3 -42.2 23.6 10.9 24.4 67 68 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.910 111.5 49.1 -62.4 -42.3 24.3 7.9 26.5 68 69 A L H X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.912 113.4 45.7 -63.4 -45.0 25.5 5.9 23.5 69 70 A R H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.873 111.9 52.2 -67.5 -36.4 27.8 8.7 22.3 70 71 A H H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.953 114.0 41.9 -63.9 -50.6 29.2 9.2 25.8 71 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 6,-0.3 0.878 112.1 57.9 -63.6 -36.1 30.0 5.5 26.2 72 73 A G H <>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.2 4,-0.5 0.921 111.4 41.0 -61.2 -41.2 31.2 5.7 22.6 73 74 A R H ><5S+ 0 0 46 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.962 118.8 43.2 -71.8 -48.7 33.7 8.4 23.5 74 75 A T H 3<5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.784 120.0 41.4 -71.4 -25.5 34.9 7.0 26.8 75 76 A L T 3<5S- 0 0 39 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.411 112.1-112.4-102.2 5.4 35.2 3.4 25.7 76 77 A G T < 5S+ 0 0 46 -3,-0.8 -3,-0.2 -4,-0.5 3,-0.2 0.892 76.4 128.3 69.2 39.8 36.8 4.2 22.3 77 78 A L < + 0 0 8 -5,-2.6 72,-2.5 -6,-0.3 73,-0.3 -0.378 46.8 88.7-118.7 52.3 33.9 3.0 20.1 78 79 A Y S S- 0 0 18 1,-0.5 -1,-0.1 70,-0.2 70,-0.1 -0.077 98.8 -85.4-141.6 37.3 33.6 6.2 18.0 79 80 A G - 0 0 18 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 -0.066 40.5 -94.7 80.2 171.9 36.0 5.7 15.1 80 81 A K S S+ 0 0 134 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.575 99.7 15.1-103.4 -12.4 39.7 6.4 15.0 81 82 A D S > S- 0 0 68 -3,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.927 89.1 -88.0-150.0 175.7 39.5 9.9 13.6 82 83 A Q H > S+ 0 0 98 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.843 121.1 54.3 -58.2 -38.8 37.1 12.8 12.9 83 84 A Q H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 111.2 44.4 -62.8 -48.1 36.1 11.6 9.5 84 85 A E H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 109.1 58.5 -64.2 -35.8 35.1 8.1 10.9 85 86 A A H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.894 105.5 49.6 -59.6 -40.4 33.4 9.8 13.8 86 87 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.894 110.0 49.8 -65.3 -38.9 31.1 11.7 11.4 87 88 A L H X S+ 0 0 54 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.875 108.9 53.3 -67.9 -34.7 30.3 8.5 9.5 88 89 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.913 109.8 47.8 -64.5 -43.1 29.4 6.8 12.8 89 90 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.885 108.7 54.8 -63.6 -39.6 27.0 9.7 13.7 90 91 A M H X S+ 0 0 11 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.895 110.8 45.4 -62.2 -39.9 25.5 9.5 10.2 91 92 A V H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.955 113.9 48.3 -66.8 -50.7 24.7 5.8 10.8 92 93 A N H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.868 109.9 51.4 -60.4 -40.0 23.4 6.4 14.3 93 94 A D H X S+ 0 0 10 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.861 110.4 50.2 -65.5 -33.8 21.1 9.2 13.2 94 95 A G H X S+ 0 0 4 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.917 110.3 49.8 -65.8 -42.7 19.7 7.0 10.4 95 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.939 110.1 51.1 -60.0 -46.7 19.1 4.2 13.0 96 97 A E H X S+ 0 0 25 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.899 105.9 55.4 -59.4 -42.8 17.3 6.7 15.3 97 98 A D H X S+ 0 0 49 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.911 112.9 40.6 -57.8 -45.3 15.1 7.9 12.4 98 99 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.882 112.5 56.0 -72.3 -36.2 13.8 4.3 11.7 99 100 A R H X S+ 0 0 10 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.908 105.7 52.6 -61.4 -39.4 13.6 3.6 15.5 100 101 A C H X S+ 0 0 49 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.922 109.6 47.9 -60.9 -43.4 11.3 6.7 15.8 101 102 A K H X S+ 0 0 97 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.889 111.9 50.3 -64.0 -37.6 9.1 5.3 13.1 102 103 A Y H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.927 110.6 48.9 -65.4 -46.6 9.1 1.9 14.8 103 104 A I H X S+ 0 0 46 -4,-2.8 4,-2.5 1,-0.2 5,-0.4 0.891 109.8 52.3 -60.7 -40.2 8.1 3.4 18.1 104 105 A S H X>S+ 0 0 60 -4,-2.3 4,-2.1 -5,-0.2 5,-0.6 0.929 112.7 45.2 -63.3 -45.1 5.3 5.4 16.4 105 106 A L H X5S+ 0 0 7 -4,-2.2 4,-1.6 3,-0.2 -2,-0.2 0.969 114.9 47.1 -60.3 -56.1 3.9 2.2 14.9 106 107 A I H <5S+ 0 0 0 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.892 126.9 25.0 -51.8 -50.7 4.2 0.2 18.1 107 108 A Y H <5S+ 0 0 109 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.631 127.8 41.3 -94.4 -16.1 2.6 2.7 20.5 108 109 A T H <5S- 0 0 99 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.737 131.1 -14.7-109.5 -30.8 0.4 4.8 18.1 109 110 A N X< + 0 0 70 -4,-1.6 4,-2.1 -5,-0.6 5,-0.2 -0.065 63.4 153.8-175.8 65.9 -1.3 2.5 15.6 110 111 A Y H > S+ 0 0 35 -4,-0.4 4,-2.1 3,-0.2 5,-0.2 0.962 78.6 49.8 -59.7 -57.6 0.0 -1.0 15.4 111 112 A E H 4 S+ 0 0 129 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.930 121.4 29.7 -50.7 -59.8 -3.2 -2.5 14.2 112 113 A A H 4 S+ 0 0 80 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.801 126.1 43.6 -76.4 -27.7 -4.1 -0.1 11.3 113 114 A G H X S+ 0 0 13 -4,-2.1 4,-2.2 -8,-0.2 -2,-0.2 0.640 85.2 87.0 -96.8 -11.6 -0.5 0.8 10.4 114 115 A K H X S+ 0 0 67 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.844 85.2 55.3 -58.4 -41.4 1.5 -2.4 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104 -2,-0.3 -1,-0.1 -3,-0.1 -102,-0.1 0.266 360.0 360.0-161.9 360.0 6.3 -6.2 19.0 209 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 210 2 B P 0 0 108 0, 0.0 56,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -30.2 35.3 24.2 1.2 211 3 B Y E -dE 236 265B 17 24,-0.6 26,-3.2 54,-0.2 2,-0.4 -0.896 360.0-171.5-115.2 143.9 31.7 23.6 2.4 212 4 B T E -dE 237 264B 23 52,-2.0 52,-2.2 -2,-0.4 2,-0.5 -0.996 7.0-160.9-132.3 132.9 28.6 23.0 0.4 213 5 B V E -dE 238 263B 1 24,-3.6 26,-3.4 -2,-0.4 2,-0.6 -0.959 6.1-165.3-112.7 121.3 25.0 22.8 1.7 214 6 B V E +dE 239 262B 8 48,-2.9 48,-1.7 -2,-0.5 2,-0.3 -0.933 34.0 129.0-109.1 112.4 22.5 21.1 -0.6 215 7 B Y E -d 240 0B 19 24,-1.8 26,-2.5 -2,-0.6 -2,-0.0 -0.959 59.6 -84.6-157.2 169.2 18.9 21.9 0.5 216 8 B F - 0 0 50 -2,-0.3 2,-2.6 24,-0.2 26,-0.2 -0.344 61.2 -91.4 -72.1 160.9 15.4 23.0 -0.4 217 9 B P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.345 96.4 94.7 -77.5 63.5 14.9 26.8 -0.4 218 10 B V S S- 0 0 11 -2,-2.6 193,-0.2 1,-0.2 194,-0.1 -0.937 77.0-126.6-144.4 162.4 13.8 26.9 3.3 219 11 B R S >> S+ 0 0 37 191,-2.2 3,-2.5 -2,-0.3 4,-0.8 0.977 70.8 118.1 -73.2 -62.3 15.5 27.5 6.7 220 12 B G G >4 S- 0 0 12 191,-2.6 3,-1.0 1,-0.3 4,-0.4 0.049 88.2 -6.0 37.5-127.3 14.2 24.3 8.2 221 13 B R G 34 S+ 0 0 59 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.347 134.3 58.0 -79.8 5.0 16.9 21.8 9.2 222 14 B C G <> S+ 0 0 0 -3,-2.5 4,-2.0 -4,-0.1 -1,-0.2 0.487 80.5 86.7-110.4 -5.4 19.7 23.9 7.8 223 15 B A H S+ 0 0 4 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.944 113.7 47.2 -63.9 -46.4 21.2 26.1 12.8 225 17 B L H > S+ 0 0 1 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.839 111.5 51.4 -66.8 -30.2 24.2 24.9 10.8 226 18 B R H X S+ 0 0 13 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.904 109.5 50.1 -69.3 -42.0 24.1 28.1 8.6 227 19 B M H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.915 111.1 50.5 -60.3 -43.0 24.1 30.2 11.8 228 20 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.942 112.0 46.0 -60.7 -50.3 27.0 28.2 13.0 229 21 B L H <>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 -2,-0.2 0.934 116.2 45.5 -61.1 -45.6 29.0 28.7 9.8 230 22 B A H ><5S+ 0 0 14 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.922 113.7 48.4 -62.8 -46.5 28.2 32.4 9.6 231 23 B D H 3<5S+ 0 0 12 -4,-3.0 165,-0.2 1,-0.3 -1,-0.2 0.833 111.7 50.2 -64.7 -32.6 29.0 33.0 13.3 232 24 B Q T 3<5S- 0 0 52 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.280 115.5-117.3 -87.6 6.8 32.3 31.1 13.0 233 25 B G T < 5 + 0 0 49 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.782 63.3 148.5 63.3 31.2 33.2 33.2 9.9 234 26 B Q < - 0 0 65 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.562 39.8-136.4 -92.2 158.5 33.3 30.2 7.6 235 27 B S + 0 0 78 -2,-0.2 -24,-0.6 2,-0.0 2,-0.3 -0.900 27.9 169.0-115.9 148.5 32.3 30.4 3.9 236 28 B W E -d 211 0B 48 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.973 32.6-112.7-151.1 165.2 30.1 27.9 2.1 237 29 B K E -d 212 0B 117 -26,-3.2 -24,-3.6 -2,-0.3 2,-0.6 -0.858 20.6-147.8-106.1 133.7 28.2 27.2 -1.1 238 30 B E E -d 213 0B 46 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.921 10.7-169.2 -98.5 117.0 24.4 27.0 -1.1 239 31 B E E -d 214 0B 94 -26,-3.4 -24,-1.8 -2,-0.6 2,-0.4 -0.930 16.5-150.4-108.3 104.3 23.3 24.5 -3.7 240 32 B V E -d 215 0B 91 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.640 8.6-161.1 -82.9 129.8 19.5 25.0 -3.9 241 33 B V - 0 0 9 -26,-2.5 2,-0.1 -2,-0.4 -2,-0.0 -0.941 11.7-145.0-112.6 116.1 17.2 22.1 -4.9 242 34 B T > - 0 0 49 -2,-0.6 4,-2.7 -26,-0.2 5,-0.2 -0.421 23.4-117.9 -77.3 154.0 13.7 23.0 -6.1 243 35 B V H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.864 118.5 55.2 -58.2 -34.2 10.7 20.9 -5.3 244 36 B E H > S+ 0 0 127 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.934 108.5 46.1 -64.5 -45.3 10.4 20.3 -9.1 245 37 B T H >4 S+ 0 0 75 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.892 113.1 51.6 -63.3 -38.2 14.0 19.1 -9.3 246 38 B W H >< S+ 0 0 40 -4,-2.7 3,-2.0 1,-0.2 6,-0.3 0.938 104.0 55.5 -63.9 -46.7 13.3 16.9 -6.2 247 39 B Q H 3< S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.688 91.4 74.8 -61.5 -15.9 10.2 15.4 -7.8 248 40 B E T << S- 0 0 125 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.814 95.2-145.1 -66.2 -30.1 12.3 14.3 -10.7 249 41 B G <> + 0 0 28 -3,-2.0 4,-2.3 -4,-0.5 5,-0.2 -0.046 69.1 95.9 96.8 -33.2 13.8 11.6 -8.5 250 42 B S H > S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.918 87.1 46.6 -63.9 -46.3 17.4 11.1 -9.4 251 43 B L H >> S+ 0 0 35 -6,-0.3 3,-0.9 1,-0.2 4,-0.6 0.972 114.5 50.0 -57.7 -52.6 19.0 13.4 -6.7 252 44 B K H >4 S+ 0 0 87 -6,-0.3 3,-1.5 1,-0.3 6,-0.3 0.889 107.4 52.5 -51.2 -48.3 16.8 11.8 -4.1 253 45 B A H 3< S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.798 108.6 52.3 -63.2 -25.8 17.7 8.3 -5.1 254 46 B S H << S+ 0 0 70 -4,-1.4 2,-0.4 -3,-0.9 -1,-0.3 0.537 88.2 97.7 -87.2 -7.3 21.3 9.2 -4.8 255 47 B C S X< S- 0 0 6 -3,-1.5 3,-1.9 -4,-0.6 5,-0.1 -0.673 82.4-125.0 -81.8 135.7 20.9 10.5 -1.2 256 48 B L T 3 S+ 0 0 30 -2,-0.4 -1,-0.1 1,-0.3 -126,-0.1 0.876 109.8 18.3 -46.8 -49.5 21.8 7.9 1.5 257 49 B Y T 3 S- 0 0 42 2,-0.3 -1,-0.3 -130,-0.1 3,-0.1 -0.029 115.1-105.1-112.6 26.2 18.5 8.1 3.2 258 50 B G S < S+ 0 0 15 -3,-1.9 2,-0.3 -6,-0.3 -2,-0.1 0.747 88.9 96.5 57.5 27.4 16.6 9.7 0.3 259 51 B Q - 0 0 112 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.920 62.4 -88.7-142.7 168.1 16.6 13.1 2.0 260 52 B L S S+ 0 0 18 -2,-0.3 2,-0.1 -3,-0.1 -45,-0.1 -0.801 74.5 74.5-117.2 163.6 18.3 16.5 2.4 261 53 B P - 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.372 56.5-178.0 -67.7 154.2 20.3 18.3 3.7 262 54 B K E -EF 214 271B 40 -48,-1.7 -48,-2.9 9,-0.2 2,-0.4 -0.943 8.9-162.6-118.7 141.3 23.4 16.8 2.0 263 55 B F E -EF 213 270B 0 7,-3.0 7,-2.9 -2,-0.4 2,-0.4 -0.980 10.3-160.2-133.4 142.0 26.7 18.4 3.0 264 56 B Q E +EF 212 269B 58 -52,-2.2 -52,-2.0 -2,-0.4 2,-0.5 -0.978 11.7 176.4-124.3 132.2 30.1 18.4 1.5 265 57 B D E > S-EF 211 268B 39 3,-2.5 3,-2.1 -2,-0.4 -54,-0.2 -0.875 76.9 -55.2-129.3 91.6 33.3 19.2 3.4 266 58 B G T 3 S- 0 0 53 -56,-1.9 -1,-0.1 -2,-0.5 -54,-0.1 -0.509 120.4 -22.3 68.2-134.2 35.9 18.6 0.7 267 59 B D T 3 S+ 0 0 148 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.337 115.0 105.8 -92.4 10.1 35.4 15.1 -0.5 268 60 B L E < -F 265 0B 16 -3,-2.1 -3,-2.5 2,-0.0 2,-0.5 -0.797 55.5-163.4 -88.2 122.2 33.6 14.1 2.6 269 61 B T E -F 264 0B 56 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.932 10.3-176.8-109.7 125.9 29.8 13.8 1.9 270 62 B L E -F 263 0B 0 -7,-2.9 -7,-3.0 -2,-0.5 2,-0.3 -0.913 12.8-167.7-123.7 151.7 27.5 13.8 4.9 271 63 B Y E +F 262 0B 27 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.823 52.9 66.0-125.4 165.6 23.7 13.4 5.3 272 64 B Q S >> S- 0 0 26 -11,-0.8 4,-2.3 -2,-0.3 3,-0.8 0.796 70.9-125.2 84.8 109.1 21.6 14.1 8.5 273 65 B S H 3> S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.835 111.0 48.5 -50.2 -41.9 21.4 17.6 9.9 274 66 B N H 3> S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.810 107.7 54.9 -72.9 -27.1 22.7 16.6 13.4 275 67 B T H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.933 109.3 48.4 -67.6 -42.4 25.6 14.7 11.9 276 68 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.922 111.7 49.7 -62.7 -43.9 26.6 17.9 10.1 277 69 B L H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.912 113.3 45.6 -61.4 -45.0 26.2 19.9 13.3 278 70 B R H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 112.1 51.7 -67.7 -35.8 28.4 17.4 15.3 279 71 B H H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.956 113.1 43.4 -64.6 -50.1 31.0 17.3 12.5 280 72 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 6,-0.2 0.886 112.5 56.3 -62.4 -36.1 31.3 21.1 12.4 281 73 B G H X>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.2 4,-0.5 0.912 111.4 42.2 -62.4 -41.8 31.3 20.9 16.2 282 74 B R H ><5S+ 0 0 46 -4,-2.5 3,-0.6 3,-0.2 -2,-0.2 0.962 118.7 42.0 -71.4 -47.5 34.3 18.6 16.2 283 75 B T H 3<5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.780 120.3 41.7 -72.4 -28.1 36.3 20.3 13.5 284 76 B L H 3<5S- 0 0 43 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.401 112.4-112.8 -99.2 3.1 35.7 23.8 14.7 285 77 B G T <<5S+ 0 0 47 -3,-0.6 -3,-0.2 -4,-0.5 3,-0.2 0.918 75.5 130.3 69.2 43.9 36.0 23.1 18.4 286 78 B L < + 0 0 9 -5,-2.9 72,-2.5 -6,-0.2 73,-0.3 -0.383 44.7 88.7-122.4 51.6 32.4 23.8 19.3 287 79 B Y S S- 0 0 19 1,-0.5 -1,-0.1 -6,-0.2 10,-0.1 -0.103 98.2 -87.4-139.7 36.0 31.8 20.6 21.3 288 80 B G - 0 0 30 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 0.027 45.4 -84.7 77.3 169.2 32.8 21.4 24.9 289 81 B K S S+ 0 0 144 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.660 100.6 3.1 -89.9 -16.5 36.3 21.2 26.5 290 82 B D S > S- 0 0 69 -3,-0.1 4,-2.5 1,-0.0 3,-0.2 -0.927 89.9 -78.5-156.4 177.3 36.4 17.5 27.4 291 83 B Q H > S+ 0 0 96 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.848 123.4 55.1 -55.3 -39.2 34.3 14.3 27.3 292 84 B Q H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.939 111.8 43.2 -63.4 -43.8 32.0 15.3 30.2 293 85 B E H > S+ 0 0 19 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 109.0 58.6 -69.2 -36.0 31.1 18.6 28.5 294 86 B A H X S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.888 105.7 50.2 -58.6 -39.1 30.7 16.8 25.1 295 87 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.892 110.0 49.0 -67.0 -39.1 28.1 14.6 26.7 296 88 B L H X S+ 0 0 50 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.893 109.3 53.5 -67.1 -37.3 26.2 17.6 28.1 297 89 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.927 110.0 47.7 -60.1 -43.7 26.3 19.2 24.7 298 90 B D H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.863 108.2 55.2 -63.9 -38.4 24.8 16.1 23.2 299 91 B M H X S+ 0 0 10 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.899 110.6 45.2 -64.9 -40.4 22.1 16.0 25.8 300 92 B V H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.951 114.0 48.7 -66.9 -48.8 21.0 19.5 25.0 301 93 B N H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.892 110.0 50.9 -60.3 -41.2 21.1 18.9 21.2 302 94 B D H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.852 110.5 50.3 -64.5 -34.3 19.1 15.7 21.6 303 95 B G H X S+ 0 0 4 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.887 110.0 49.7 -68.9 -39.0 16.5 17.6 23.6 304 96 B V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.911 110.2 51.5 -64.5 -42.2 16.4 20.3 20.9 305 97 B E H X S+ 0 0 25 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.909 106.1 54.6 -62.4 -42.4 15.9 17.6 18.2 306 98 B D H X S+ 0 0 49 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.930 113.3 40.5 -57.5 -48.7 13.0 16.1 20.2 307 99 B L H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.896 112.7 56.2 -70.4 -34.4 11.1 19.4 20.4 308 100 B R H X S+ 0 0 8 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.912 105.8 52.2 -62.0 -39.6 12.1 20.2 16.7 309 101 B C H X S+ 0 0 51 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.915 109.8 47.8 -60.3 -44.0 10.5 16.9 15.7 310 102 B K H X S+ 0 0 96 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.879 112.1 50.1 -64.1 -37.7 7.3 17.8 17.5 311 103 B Y H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.926 111.2 48.5 -65.6 -46.3 7.3 21.3 15.8 312 104 B I H X S+ 0 0 48 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.890 109.8 52.4 -62.0 -39.6 7.8 19.7 12.4 313 105 B S H X S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.2 5,-0.5 0.931 112.9 45.0 -63.5 -44.3 5.0 17.2 13.1 314 106 B L H X S+ 0 0 6 -4,-2.2 4,-1.9 3,-0.2 -2,-0.2 0.977 114.7 47.9 -60.5 -57.4 2.6 20.2 14.0 315 107 B I H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.869 126.6 24.8 -51.2 -48.1 3.7 22.3 11.0 316 108 B Y H < S+ 0 0 109 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.642 128.0 41.1 -96.6 -16.5 3.4 19.7 8.3 317 109 B T H < S- 0 0 99 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.712 131.0 -14.2-109.0 -29.5 0.8 17.3 9.9 318 110 B N X + 0 0 68 -4,-1.9 4,-2.1 -5,-0.5 5,-0.2 -0.025 63.5 153.6-176.3 64.0 -1.9 19.2 11.6 319 111 B Y H > S+ 0 0 37 -4,-0.4 4,-2.2 3,-0.2 5,-0.2 0.965 78.6 49.7 -57.4 -58.0 -1.2 22.8 12.1 320 112 B E H 4 S+ 0 0 130 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.904 121.4 29.3 -51.9 -57.3 -4.9 23.8 12.1 321 113 B A H 4 S+ 0 0 84 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.767 126.2 43.9 -79.4 -25.4 -6.3 21.2 14.6 322 114 B G H X S+ 0 0 11 -4,-2.1 4,-2.1 -8,-0.2 -2,-0.2 0.645 85.1 86.6 -97.8 -12.7 -3.2 20.8 16.7 323 115 B K H X S+ 0 0 66 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.839 85.4 55.4 -57.5 -41.3 -1.8 24.3 17.3 324 116 B D H > S+ 0 0 135 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.953 112.6 42.0 -59.3 -49.5 -3.8 25.2 20.4 325 117 B D H > S+ 0 0 105 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.889 114.1 53.0 -63.8 -40.0 -2.7 22.1 22.3 326 118 B Y H X S+ 0 0 33 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.949 110.4 46.0 -59.0 -51.6 0.9 22.5 21.1 327 119 B V H < S+ 0 0 54 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.848 110.8 54.7 -62.0 -32.5 1.1 26.1 22.3 328 120 B K H < S+ 0 0 165 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.878 111.5 43.6 -70.3 -35.2 -0.5 25.0 25.6 329 121 B A H X S+ 0 0 52 -4,-2.1 4,-1.1 1,-0.2 3,-0.4 0.600 91.1 93.0 -83.1 -11.8 2.2 22.4 26.1 330 122 B L H >X S+ 0 0 4 -4,-1.1 4,-2.1 -3,-0.3 3,-0.9 0.879 76.8 56.1 -51.0 -51.0 5.1 24.7 25.0 331 123 B P H 3> S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.915 108.3 48.9 -50.8 -46.5 6.1 26.1 28.4 332 124 B G H 34 S+ 0 0 52 -3,-0.4 -2,-0.2 -4,-0.3 -3,-0.1 0.766 112.3 49.6 -64.9 -26.8 6.7 22.7 29.8 333 125 B Q H << S+ 0 0 68 -4,-1.1 4,-0.2 -3,-0.9 -1,-0.2 0.767 115.5 42.2 -81.6 -28.1 8.7 21.8 26.7 334 126 B L H >X S+ 0 0 0 -4,-2.1 3,-1.3 -3,-0.2 4,-1.2 0.780 95.2 79.0 -88.0 -28.7 10.9 25.0 26.9 335 127 B K H 3X S+ 0 0 121 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.803 82.5 63.9 -50.4 -39.3 11.4 24.9 30.7 336 128 B P H 3> S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.892 103.5 49.1 -55.8 -36.8 14.2 22.3 30.6 337 129 B F H <> S+ 0 0 2 -3,-1.3 4,-2.3 -4,-0.2 -2,-0.2 0.865 109.2 51.2 -71.9 -35.0 16.4 24.7 28.6 338 130 B E H X S+ 0 0 21 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.933 111.4 49.3 -64.3 -44.8 15.8 27.5 31.1 339 131 B T H X S+ 0 0 39 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.910 108.6 52.0 -59.7 -42.6 16.8 25.0 33.9 340 132 B L H >< S+ 0 0 21 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0 17 -2,-0.4 -3,-1.2 1,-0.2 -4,-0.1 -0.105 94.3 -47.6 55.6-143.9 29.9 25.6 30.1 354 146 B D T 3 S+ 0 0 83 -5,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.201 110.5 71.0-116.8 13.6 31.6 28.7 28.9 355 147 B Q S < S- 0 0 116 -3,-0.8 -3,-0.3 -69,-0.0 -67,-0.1 -0.969 85.5-103.0-129.3 147.8 32.2 28.3 25.2 356 148 B I - 0 0 15 -2,-0.4 -68,-0.3 -6,-0.1 2,-0.3 -0.386 42.1-171.4 -65.1 143.8 29.7 28.3 22.4 357 149 B S >> - 0 0 1 -70,-0.1 3,-1.1 -2,-0.1 4,-1.0 -0.841 41.2-100.1-130.3 169.4 28.8 24.8 21.1 358 150 B F H 3> S+ 0 0 0 -72,-2.5 4,-1.8 -2,-0.3 3,-0.2 0.839 121.1 64.3 -61.6 -28.6 26.9 23.5 18.1 359 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-3.1 1,-0.2 5,-0.3 0.833 94.6 59.8 -63.4 -31.0 24.0 22.9 20.5 360 152 B D H <> S+ 0 0 0 -3,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.935 105.3 47.4 -62.3 -44.0 23.8 26.6 21.1 361 153 B Y H X S+ 0 0 0 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.908 114.9 45.9 -64.5 -40.6 23.1 27.3 17.4 362 154 B N H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.923 114.2 47.1 -69.1 -45.4 20.5 24.6 17.2 363 155 B L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.915 110.9 54.5 -62.2 -40.4 18.8 25.7 20.5 364 156 B L H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.3 -2,-0.2 0.944 109.5 46.0 -58.5 -45.4 18.9 29.3 19.3 365 157 B D H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.940 110.2 53.8 -62.8 -44.3 17.1 28.4 16.1 366 158 B L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.914 112.0 45.4 -55.0 -44.8 14.5 26.3 18.0 367 159 B L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.917 111.1 52.0 -68.2 -43.6 13.8 29.4 20.2 368 160 B L H X S+ 0 0 30 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.925 111.1 46.2 -60.1 -43.8 13.6 31.8 17.3 369 161 B I H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.840 110.2 54.3 -70.9 -29.4 11.1 29.7 15.3 370 162 B H H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.834 102.5 56.3 -72.7 -28.6 9.0 29.1 18.4 371 163 B E H < S+ 0 0 66 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.826 109.5 47.7 -69.8 -28.4 8.7 32.9 19.0 372 164 B V H < S+ 0 0 58 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.914 114.8 45.6 -73.6 -43.7 7.3 33.1 15.5 373 165 B L H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.857 135.0 13.0 -66.5 -35.1 4.9 30.2 16.2 374 166 B A S >< S- 0 0 11 -4,-2.7 3,-2.0 -5,-0.1 -1,-0.3 -0.650 83.0-143.6-146.2 82.6 3.9 31.7 19.6 375 167 B P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.127 86.9 20.5 -47.1 138.0 4.9 35.3 20.2 376 168 B G T > S+ 0 0 31 -5,-0.1 3,-1.8 1,-0.1 4,-0.4 0.448 78.2 131.2 80.2 2.4 5.9 35.9 23.8 377 169 B C T < S+ 0 0 22 -3,-2.0 3,-0.2 1,-0.3 -43,-0.1 0.706 76.1 49.9 -61.9 -17.1 6.6 32.2 24.6 378 170 B L T > S+ 0 0 0 1,-0.2 3,-2.2 2,-0.1 7,-0.4 0.514 82.2 93.1 -95.8 -8.9 9.9 33.3 26.1 379 171 B D T < S+ 0 0 131 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.846 85.7 51.5 -53.5 -37.0 8.5 36.0 28.3 380 172 B A T 3 S+ 0 0 81 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.511 103.7 66.9 -77.5 -3.9 8.2 33.5 31.2 381 173 B F <> + 0 0 18 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 -0.729 56.4 177.1-124.7 84.2 11.8 32.5 30.8 382 174 B P H > S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 81.8 50.9 -53.9 -39.1 14.3 35.3 31.6 383 175 B L H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.962 113.7 43.0 -67.5 -48.7 17.4 33.3 31.1 384 176 B L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.880 113.6 54.4 -61.3 -41.0 16.3 32.0 27.6 385 177 B S H X S+ 0 0 41 -4,-2.9 4,-2.1 -7,-0.4 -1,-0.2 0.959 112.9 40.8 -57.8 -52.3 15.1 35.5 26.8 386 178 B A H X S+ 0 0 50 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.850 113.0 56.3 -65.3 -35.0 18.5 37.1 27.6 387 179 B Y H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.940 107.3 48.1 -62.1 -48.3 20.3 34.2 25.9 388 180 B V H X S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.947 113.1 48.3 -59.9 -45.7 18.5 34.7 22.7 389 181 B G H X S+ 0 0 43 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.941 114.1 46.7 -60.1 -45.4 19.3 38.5 22.8 390 182 B R H >X S+ 0 0 85 -4,-2.8 3,-0.8 2,-0.2 4,-0.6 0.950 115.2 42.4 -63.6 -52.6 23.0 37.8 23.6 391 183 B L H >< S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.914 112.0 55.6 -62.3 -40.7 23.6 35.2 20.9 392 184 B S H 3< S+ 0 0 27 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.682 103.4 58.0 -66.4 -16.4 21.6 37.2 18.3 393 185 B A H << S+ 0 0 59 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.581 71.0 118.2 -89.6 -12.9 23.9 40.1 19.0 394 186 B R S S+ 0 0 110 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 105.3 38.3 -36.5 -66.3 28.4 40.5 15.2 396 188 B K H > S+ 0 0 121 -165,-0.2 4,-2.2 1,-0.2 5,-0.1 0.879 119.8 47.6 -60.5 -39.1 28.7 37.9 12.4 397 189 B L H > S+ 0 0 0 -3,-0.3 4,-3.2 2,-0.2 5,-0.2 0.944 111.1 51.1 -67.8 -45.6 25.5 36.1 13.6 398 190 B K H X S+ 0 0 133 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.917 111.8 47.5 -56.9 -46.1 23.5 39.4 13.8 399 191 B A H X S+ 0 0 62 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.932 113.4 48.2 -63.0 -42.9 24.6 40.3 10.3 400 192 B F H >< S+ 0 0 14 -4,-2.2 3,-0.5 -5,-0.2 6,-0.3 0.931 109.7 51.9 -63.6 -42.7 23.7 36.9 9.0 401 193 B L H 3< S+ 0 0 27 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.804 112.5 46.3 -64.5 -28.8 20.3 37.0 10.7 402 194 B A H 3< S+ 0 0 77 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.654 94.0 104.2 -86.3 -16.9 19.5 40.4 9.1 403 195 B S S XX S- 0 0 26 -4,-1.3 4,-2.9 -3,-0.5 3,-1.4 -0.228 79.8-118.9 -70.4 153.6 20.7 39.3 5.6 404 196 B P H 3> S+ 0 0 90 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.859 109.8 65.6 -58.1 -36.0 18.4 38.5 2.7 405 197 B E H 34 S+ 0 0 102 2,-0.2 -4,-0.1 1,-0.2 -5,-0.1 0.738 116.8 28.0 -64.1 -18.6 19.7 34.9 2.4 406 198 B Y H X4 S+ 0 0 24 -3,-1.4 3,-1.6 -6,-0.3 -1,-0.2 0.815 124.0 47.0 -99.5 -58.3 18.2 34.3 5.8 407 199 B V H 3< S+ 0 0 73 -4,-2.9 -2,-0.2 -7,-0.3 -4,-0.1 0.819 110.1 51.2 -56.6 -36.3 15.3 36.7 5.9 408 200 B N T 3< S+ 0 0 126 -4,-2.9 -1,-0.3 -5,-0.3 -3,-0.1 0.325 92.3 86.9 -88.8 8.7 13.9 36.0 2.5 409 201 B L S < S- 0 0 43 -3,-1.6 -191,-0.2 -5,-0.2 2,-0.1 -0.864 82.4-121.4-102.7 138.5 13.7 32.2 3.0 410 202 B P - 0 0 64 0, 0.0 -191,-2.2 0, 0.0 -190,-0.2 -0.462 17.3-122.8 -76.5 158.0 10.5 30.8 4.6 411 203 B I S S+ 0 0 6 -193,-0.2 -191,-2.6 -192,-0.2 2,-0.2 0.942 91.9 16.5 -65.2 -45.5 11.0 28.9 7.9 412 204 B N S S- 0 0 8 4,-0.3 3,-0.5 -193,-0.1 -193,-0.1 -0.644 78.2-114.3-122.0 175.4 9.2 25.8 6.5 413 205 B G S S+ 0 0 53 -2,-0.2 -2,-0.0 1,-0.2 -97,-0.0 0.496 105.4 55.5 -93.1 -1.2 8.3 24.4 3.1 414 206 B N S S- 0 0 59 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.179 111.4-107.2-113.4 13.9 4.5 24.5 3.3 415 207 B G S S+ 0 0 70 -3,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.542 80.2 123.0 76.3 6.2 4.1 28.2 4.1 416 208 B K 0 0 61 1,-0.1 -4,-0.3 -101,-0.1 -2,-0.2 -0.792 360.0 360.0-103.7 149.8 3.1 27.6 7.8 417 209 B Q 0 0 101 -2,-0.3 -1,-0.1 -45,-0.1 -102,-0.1 0.283 360.0 360.0-160.6 360.0 5.0 29.0 10.7