==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 05-JAN-10 3L9F . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN SMU.1604C; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-D.SU,X.LIU . 680 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 8.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 364 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 0 0 0 4 1 3 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 8 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 1 A M 0 0 37 0, 0.0 2,-0.2 0, 0.0 607,-0.0 0.000 360.0 360.0 360.0 120.9 -1.5 8.2 -7.7 2 2 A Q >> - 0 0 42 1,-0.1 4,-1.3 0, 0.0 3,-0.8 -0.640 360.0-121.6-107.9 157.7 -4.5 5.8 -7.8 3 3 A G H 3> S+ 0 0 7 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.849 110.8 65.4 -57.2 -36.4 -5.3 2.4 -9.3 4 4 A K H 3> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 100.4 49.9 -57.3 -35.9 -8.0 4.0 -11.3 5 5 A D H <> S+ 0 0 14 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.893 110.7 46.5 -75.3 -40.4 -5.6 6.1 -13.3 6 6 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.872 112.0 52.7 -71.2 -31.4 -3.3 3.2 -14.2 7 7 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.924 108.1 49.5 -68.6 -42.2 -6.3 1.1 -15.2 8 8 A L H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.896 110.4 53.1 -60.6 -38.8 -7.6 3.8 -17.5 9 9 A G H >< S+ 0 0 1 -4,-2.0 3,-1.2 2,-0.2 4,-0.5 0.929 108.5 48.3 -57.5 -47.8 -4.1 4.0 -18.9 10 10 A I H 3< S+ 0 0 4 -4,-2.4 3,-0.4 1,-0.3 4,-0.4 0.881 115.7 45.1 -61.3 -37.6 -4.1 0.2 -19.6 11 11 A L T 3< S+ 0 0 2 -4,-2.4 60,-0.6 1,-0.2 -1,-0.3 0.403 87.1 94.2 -87.6 3.2 -7.6 0.6 -21.2 12 12 A S S < S+ 0 0 40 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.920 97.9 23.9 -62.9 -41.6 -6.7 3.6 -23.3 13 13 A K S S+ 0 0 134 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.639 124.7 27.6-100.7 -17.6 -5.7 1.7 -26.5 14 14 A K - 0 0 134 -4,-0.4 2,-0.3 2,-0.0 -1,-0.2 -1.000 68.8-116.9-149.5 142.4 -7.5 -1.6 -26.3 15 15 A E - 0 0 127 -2,-0.3 2,-0.4 55,-0.1 55,-0.2 -0.663 48.0-173.6 -69.5 134.3 -10.6 -3.4 -24.9 16 16 A R E -A 69 0A 47 53,-2.2 53,-3.1 -2,-0.3 2,-0.1 -0.993 25.2-119.8-139.1 143.5 -9.2 -6.0 -22.5 17 17 A S E > -A 68 0A 15 -2,-0.4 4,-2.5 51,-0.3 51,-0.2 -0.342 36.2-109.5 -67.1 159.6 -10.5 -8.9 -20.4 18 18 A G H > S+ 0 0 9 49,-1.9 4,-2.7 1,-0.2 5,-0.2 0.883 121.7 57.3 -55.0 -39.3 -10.0 -8.8 -16.6 19 19 A Y H > S+ 0 0 139 48,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.936 109.1 44.1 -56.1 -50.0 -7.4 -11.6 -17.1 20 20 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.876 112.4 51.0 -67.1 -40.3 -5.4 -9.4 -19.5 21 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.941 112.5 47.2 -62.3 -45.2 -5.6 -6.3 -17.4 22 22 A N H X S+ 0 0 48 -4,-2.7 4,-3.1 -5,-0.2 5,-0.4 0.903 110.2 52.6 -62.8 -41.0 -4.4 -8.2 -14.4 23 23 A D H X>S+ 0 0 80 -4,-2.3 4,-2.8 -5,-0.2 5,-0.6 0.941 111.9 46.2 -59.2 -47.6 -1.6 -9.8 -16.4 24 24 A I H X>S+ 0 0 15 -4,-2.6 5,-2.7 3,-0.2 4,-1.9 0.945 116.9 43.2 -60.1 -50.1 -0.5 -6.3 -17.5 25 25 A L H <5S+ 0 0 8 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.937 122.7 36.2 -65.6 -47.8 -0.7 -4.8 -14.0 26 26 A Q H <5S+ 0 0 90 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.871 132.9 22.6 -71.9 -38.4 1.0 -7.8 -12.2 27 27 A N H <5S+ 0 0 67 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.665 130.0 29.3-110.5 -20.9 3.5 -8.8 -14.8 28 28 A Q T <> - 0 0 98 1,-0.1 3,-0.6 -2,-0.1 -1,-0.2 -0.631 65.1 -92.3 -91.2 148.1 -1.8 -4.1 -2.5 37 37 A Y T 3 S+ 0 0 104 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.178 105.1 26.2 -54.7 143.6 -3.5 -7.3 -3.6 38 38 A G T 3 S+ 0 0 52 -3,-0.1 -1,-0.2 1,-0.0 5,-0.1 0.806 76.8 121.7 74.3 31.2 -7.1 -7.0 -4.8 39 39 A M <> + 0 0 30 -3,-0.6 4,-1.9 2,-0.1 5,-0.2 0.839 65.5 63.8 -79.8 -41.3 -7.0 -3.4 -6.0 40 40 A I H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 98.7 47.9 -59.7 -45.4 -8.0 -4.3 -9.5 41 41 A Y H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 114.4 42.6 -70.3 -47.7 -11.5 -5.7 -9.1 42 42 A P H > S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.876 115.8 51.8 -61.7 -33.5 -13.1 -3.1 -6.8 43 43 A T H X S+ 0 0 28 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.885 107.9 50.1 -73.9 -38.3 -11.5 -0.4 -8.9 44 44 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.2 53.8 -61.0 -41.1 -12.9 -1.8 -12.1 45 45 A R H X S+ 0 0 153 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.912 111.5 43.9 -60.2 -43.4 -16.3 -1.9 -10.4 46 46 A K H X S+ 0 0 116 -4,-1.9 4,-2.9 2,-0.2 6,-0.2 0.889 110.0 54.1 -71.7 -40.3 -16.1 1.8 -9.5 47 47 A L H <>S+ 0 0 5 -4,-2.5 5,-2.4 1,-0.2 6,-1.1 0.880 111.3 47.7 -60.5 -36.5 -14.8 2.9 -12.9 48 48 A E H ><5S+ 0 0 81 -4,-2.0 3,-1.7 4,-0.2 -2,-0.2 0.944 111.0 49.6 -68.8 -46.8 -17.8 1.1 -14.4 49 49 A K H 3<5S+ 0 0 178 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.904 110.6 50.8 -57.0 -41.4 -20.2 2.7 -11.9 50 50 A D T 3<5S- 0 0 65 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.388 115.6-117.3 -82.0 5.4 -18.7 6.1 -12.7 51 51 A G T < 5S+ 0 0 33 -3,-1.7 24,-0.4 2,-0.2 23,-0.3 0.651 82.3 119.7 72.9 16.9 -19.2 5.5 -16.4 52 52 A K S - 0 0 75 3,-0.4 3,-1.7 -2,-0.4 2,-0.1 -0.994 37.5 -98.1-134.6 143.9 -19.1 -19.6 -23.3 61 61 A D T 3 S+ 0 0 160 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.354 105.3 0.1 -56.8 129.8 -20.1 -23.2 -23.0 62 62 A G T 3 S+ 0 0 92 1,-0.2 -1,-0.3 -2,-0.1 0, 0.0 0.626 114.3 96.9 67.6 16.0 -18.0 -25.1 -20.5 63 63 A R S < S- 0 0 162 -3,-1.7 -3,-0.4 3,-0.0 -1,-0.2 -0.954 80.5 -98.6-131.0 154.1 -15.9 -22.1 -19.5 64 64 A P - 0 0 94 0, 0.0 -4,-0.0 0, 0.0 2,-0.0 -0.362 53.9 -92.2 -62.7 151.0 -15.9 -19.5 -16.8 65 65 A N - 0 0 91 -6,-0.1 2,-0.4 -8,-0.0 -6,-0.2 -0.345 40.9-144.7 -55.2 147.2 -17.5 -16.2 -17.8 66 66 A K E - B 0 58A 67 -8,-2.1 -8,-3.4 -3,-0.1 2,-0.5 -0.972 3.7-143.4-120.5 130.4 -14.9 -13.7 -19.1 67 67 A N E - B 0 57A 48 -2,-0.4 -49,-1.9 -10,-0.2 2,-0.5 -0.851 11.5-163.6 -98.7 125.1 -15.3 -10.0 -18.4 68 68 A I E -AB 17 56A 27 -12,-3.1 -12,-2.6 -2,-0.5 2,-0.4 -0.929 7.1-160.2-108.0 127.0 -14.2 -7.6 -21.2 69 69 A Y E -AB 16 55A 10 -53,-3.1 -53,-2.2 -2,-0.5 2,-0.4 -0.855 8.3-175.5-110.2 141.3 -13.6 -3.9 -20.3 70 70 A A E - B 0 54A 7 -16,-2.0 -16,-2.8 -2,-0.4 -55,-0.1 -0.998 25.9-119.5-135.5 136.0 -13.6 -0.9 -22.6 71 71 A I E - B 0 53A 29 -60,-0.6 -18,-0.3 -2,-0.4 2,-0.2 -0.386 28.8-145.0 -67.8 149.4 -12.8 2.7 -21.9 72 72 A T > - 0 0 30 -20,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.638 30.0 -97.8-105.6 171.9 -15.6 5.3 -22.5 73 73 A E H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.926 127.6 47.9 -53.7 -47.7 -15.4 8.8 -23.9 74 74 A S H > S+ 0 0 48 -23,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.865 109.1 54.9 -63.4 -35.3 -15.6 10.2 -20.3 75 75 A G H > S+ 0 0 0 -24,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.898 107.6 48.5 -63.0 -40.9 -12.9 7.7 -19.3 76 76 A K H X S+ 0 0 97 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.902 110.2 52.9 -65.0 -41.0 -10.6 9.0 -22.0 77 77 A K H X S+ 0 0 75 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.898 108.7 49.9 -57.2 -43.6 -11.3 12.5 -20.8 78 78 A E H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.875 111.1 48.3 -67.4 -39.5 -10.3 11.5 -17.3 79 79 A L H X S+ 0 0 15 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.946 111.3 50.2 -63.4 -49.1 -7.1 9.9 -18.4 80 80 A A H X S+ 0 0 60 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.916 112.1 48.4 -56.6 -44.6 -6.2 13.0 -20.5 81 81 A S H >X S+ 0 0 70 -4,-2.5 3,-1.1 1,-0.2 4,-0.7 0.938 110.3 51.1 -60.1 -48.1 -6.9 15.2 -17.6 82 82 A Y H >< S+ 0 0 23 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.883 107.7 51.8 -59.2 -40.4 -4.8 13.1 -15.3 83 83 A L H 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.652 108.7 52.6 -73.1 -13.0 -1.9 13.2 -17.7 84 84 A Q H << S+ 0 0 173 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.537 95.1 99.9 -91.7 -10.4 -2.2 17.0 -17.7 85 85 A S S << S- 0 0 46 -3,-1.0 2,-0.1 -4,-0.7 3,-0.1 -0.216 87.3 -85.9 -76.8 163.7 -2.0 17.1 -13.9 86 86 A D - 0 0 146 1,-0.1 2,-0.1 -2,-0.0 -1,-0.1 -0.447 54.7-100.2 -64.7 142.2 0.9 17.9 -11.6 87 87 A V - 0 0 24 -2,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.427 37.0-133.4 -69.6 135.0 3.0 14.8 -10.9 88 88 A N - 0 0 67 -2,-0.1 520,-0.3 1,-0.1 521,-0.3 -0.479 29.4 -90.1 -86.4 157.7 2.3 13.2 -7.5 89 89 A D - 0 0 101 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.394 49.1-105.5 -62.6 145.0 5.0 12.2 -5.0 90 90 A E - 0 0 17 517,-0.1 2,-0.5 -3,-0.1 517,-0.2 -0.395 29.1-136.8 -68.1 147.1 6.2 8.6 -5.5 91 91 A I E +D 606 0B 34 515,-2.6 515,-2.6 -3,-0.1 2,-0.4 -0.937 29.5 167.8-105.6 130.4 5.0 6.1 -2.9 92 92 A F E +DE 605 547B 4 455,-1.8 455,-2.5 -2,-0.5 2,-0.4 -0.942 9.2 168.8-147.3 120.9 7.5 3.6 -1.6 93 93 A K E -DE 604 546B 41 511,-2.5 511,-2.7 -2,-0.4 2,-0.7 -0.949 12.4-168.6-135.3 110.6 7.2 1.3 1.4 94 94 A S > - 0 0 0 451,-2.8 4,-1.9 -2,-0.4 509,-0.1 -0.891 13.9-174.8-107.9 111.7 9.8 -1.3 1.8 95 95 A D H > S+ 0 0 1 -2,-0.7 4,-2.4 506,-0.3 5,-0.2 0.886 88.5 58.2 -66.3 -39.7 9.1 -4.0 4.4 96 96 A F H > S+ 0 0 2 505,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.952 108.4 43.7 -53.9 -54.2 12.5 -5.5 3.7 97 97 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.904 110.4 57.0 -60.8 -39.5 14.3 -2.2 4.7 98 98 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.918 104.0 52.9 -56.5 -44.6 11.9 -1.8 7.7 99 99 A R H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.0 43.5 -61.0 -43.5 13.1 -5.2 9.0 100 100 A L H >< S+ 0 0 0 -4,-1.7 3,-1.6 2,-0.2 -1,-0.2 0.903 111.5 53.8 -68.0 -40.1 16.7 -4.2 8.8 101 101 A F H 3< S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.3 558,-0.2 0.909 121.7 31.0 -60.7 -40.5 16.1 -0.7 10.3 102 102 A F T 3< S+ 0 0 28 -4,-2.5 2,-0.4 -5,-0.2 3,-0.4 -0.007 93.1 113.0-103.6 27.3 14.3 -2.3 13.3 103 103 A G < + 0 0 4 -3,-1.6 -1,-0.1 1,-0.2 555,-0.1 -0.233 23.4 128.9-101.1 45.8 16.5 -5.4 13.1 104 104 A N S S+ 0 0 74 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.0 0.905 78.7 43.0 -62.7 -42.6 18.6 -5.1 16.3 105 105 A S S S+ 0 0 109 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 0.758 81.4 122.9 -79.5 -25.7 17.8 -8.6 17.5 106 106 A L - 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0 0 39 1,-0.1 3,-1.3 0, 0.0 4,-1.2 -0.729 360.0-109.4-112.3 159.7 20.2 -2.1 49.2 174 3 B G H 3> S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.835 111.7 67.3 -51.2 -37.6 19.8 1.1 47.2 175 4 B K H 3> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.834 100.2 47.8 -58.7 -34.8 20.5 -0.7 44.0 176 5 B D H <> S+ 0 0 22 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.897 112.1 46.6 -76.4 -40.2 17.3 -2.8 44.1 177 6 B I H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.882 111.4 53.5 -70.3 -32.4 14.9 0.0 44.9 178 7 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.926 108.1 49.1 -66.7 -41.7 16.5 2.2 42.2 179 8 B L H X S+ 0 0 0 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.897 110.5 52.6 -60.9 -38.6 16.0 -0.6 39.6 180 9 B G H >< S+ 0 0 1 -4,-2.0 3,-0.8 2,-0.2 4,-0.5 0.927 109.2 48.4 -59.2 -46.5 12.4 -0.7 40.9 181 10 B I H 3< S+ 0 0 3 -4,-2.5 3,-0.5 1,-0.2 4,-0.4 0.902 116.1 42.9 -61.9 -41.6 12.1 3.0 40.3 182 11 B L H 3< S+ 0 0 1 -4,-2.6 60,-0.6 1,-0.2 -1,-0.2 0.467 88.7 93.9 -83.6 -1.5 13.5 2.8 36.8 183 12 B S S << S+ 0 0 39 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 0.899 97.6 25.4 -61.5 -41.5 11.5 -0.3 35.9 184 13 B K S S+ 0 0 141 -4,-0.5 2,-0.3 -3,-0.5 -1,-0.2 0.592 126.2 24.3 -99.6 -14.1 8.6 1.5 34.2 185 14 B K - 0 0 75 -4,-0.4 2,-0.4 55,-0.0 -1,-0.2 -0.998 69.2-115.2-153.2 144.3 10.1 4.9 33.2 186 15 B E - 0 0 75 -2,-0.3 2,-0.4 55,-0.1 55,-0.2 -0.680 47.9-173.3 -71.9 133.9 13.3 6.7 32.2 187 16 B R E -F 240 0C 45 53,-2.2 53,-3.0 -2,-0.4 2,-0.0 -0.989 24.4-118.7-138.6 141.9 13.8 9.3 34.9 188 17 B S E > -F 239 0C 16 -2,-0.4 4,-2.4 51,-0.3 51,-0.2 -0.317 35.9-109.2 -64.2 159.4 16.2 12.2 35.6 189 18 B G H > S+ 0 0 8 49,-2.1 4,-2.6 1,-0.2 5,-0.2 0.899 122.0 55.8 -55.1 -41.5 18.4 12.1 38.7 190 19 B Y H > S+ 0 0 141 48,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 108.8 45.8 -56.1 -48.7 16.1 14.8 40.1 191 20 B E H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 110.9 51.5 -67.0 -40.6 13.0 12.7 39.7 192 21 B I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.948 112.4 47.3 -60.3 -46.6 14.6 9.6 41.1 193 22 B N H X S+ 0 0 55 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.907 110.6 51.8 -60.9 -42.2 15.6 11.6 44.2 194 23 B D H X S+ 0 0 83 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.936 112.2 46.8 -58.8 -47.0 12.1 13.1 44.5 195 24 B I H X>S+ 0 0 14 -4,-2.7 5,-2.4 2,-0.2 4,-1.8 0.927 115.5 44.8 -61.8 -47.2 10.6 9.6 44.4 196 25 B L H <5S+ 0 0 8 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.946 122.8 35.2 -64.1 -49.3 13.0 8.2 46.9 197 26 B Q H <5S+ 0 0 98 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.858 131.5 26.0 -73.1 -37.5 12.8 11.1 49.3 198 27 B N H <5S+ 0 0 60 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.439 129.4 26.5-115.8 -4.5 9.1 12.1 48.9 199 28 B Q T <5S+ 0 0 57 -4,-1.8 3,-0.3 -5,-0.3 -3,-0.2 0.644 125.0 32.3-124.7 -40.6 7.2 9.0 47.8 200 29 B L S >> - 0 0 95 1,-0.1 3,-1.2 -2,-0.1 -1,-0.2 -0.650 63.5 -91.8 -90.9 148.4 21.5 7.5 54.7 208 37 B Y T 3 S+ 0 0 228 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.191 106.0 26.6 -52.8 142.7 22.1 10.7 52.8 209 38 B G T 3 S+ 0 0 32 -3,-0.1 -1,-0.2 1,-0.0 3,-0.2 0.464 77.1 121.7 87.4 3.2 24.0 10.4 49.5 210 39 B M <> + 0 0 35 -3,-1.2 4,-1.9 1,-0.2 5,-0.2 0.880 63.6 65.8 -61.7 -40.1 23.2 6.8 48.6 211 40 B I H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 97.8 47.3 -58.6 -47.4 21.6 7.7 45.2 212 41 B Y H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 113.6 43.2 -70.9 -48.7 24.6 9.0 43.3 213 42 B P H > S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.893 115.5 51.9 -59.5 -38.3 27.2 6.4 44.0 214 43 B T H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.897 108.5 50.0 -66.8 -40.6 24.6 3.6 43.5 215 44 B L H X S+ 0 0 1 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.906 109.4 52.2 -61.8 -42.2 23.6 5.1 40.1 216 45 B R H X S+ 0 0 151 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.942 111.9 46.3 -59.1 -45.9 27.3 5.2 39.1 217 46 B K H X S+ 0 0 96 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.895 109.8 52.0 -65.6 -42.1 27.7 1.5 40.0 218 47 B L H <>S+ 0 0 5 -4,-2.6 5,-2.6 2,-0.2 6,-1.1 0.872 113.0 46.1 -61.4 -37.9 24.5 0.4 38.2 219 48 B E H ><5S+ 0 0 81 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.935 110.7 52.3 -69.4 -46.4 25.7 2.1 35.1 220 49 B K H 3<5S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.853 111.4 47.8 -55.1 -36.7 29.2 0.7 35.4 221 50 B D T 3<5S- 0 0 75 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.413 116.0-116.4 -89.6 1.4 27.6 -2.8 35.7 222 51 B G T < 5S+ 0 0 33 -3,-1.6 23,-0.3 2,-0.2 24,-0.3 0.660 83.1 117.6 76.7 18.7 25.4 -2.2 32.7 223 52 B K S - 0 0 76 3,-0.5 3,-1.7 -2,-0.4 2,-0.0 -0.997 37.9 -97.3-135.0 143.6 20.8 22.9 27.7 232 61 B D T 3 S+ 0 0 161 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.315 105.4 0.0 -54.5 127.5 21.8 26.5 27.2 233 62 B G T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -2,-0.0 0, 0.0 0.645 113.4 96.8 69.7 17.0 21.9 28.4 30.6 234 63 B R S < S- 0 0 160 -3,-1.7 -3,-0.5 3,-0.0 -1,-0.2 -0.967 80.4 -98.7-133.4 152.6 20.9 25.4 32.7 235 64 B P - 0 0 96 0, 0.0 -4,-0.1 0, 0.0 2,-0.0 -0.306 55.6 -88.8 -61.4 152.3 22.7 22.8 34.7 236 65 B N - 0 0 89 -6,-0.1 2,-0.4 1,-0.0 -6,-0.2 -0.355 41.4-142.3 -57.3 145.9 23.3 19.5 33.0 237 66 B K E - G 0 229C 69 -8,-2.3 -8,-3.6 -3,-0.1 2,-0.6 -0.949 5.5-146.4-116.0 129.3 20.4 17.0 33.5 238 67 B N E - G 0 228C 47 -2,-0.4 -49,-2.1 -10,-0.2 2,-0.5 -0.878 11.1-165.1 -99.6 124.0 21.1 13.3 33.9 239 68 B I E -FG 188 227C 26 -12,-3.3 -12,-2.7 -2,-0.6 2,-0.4 -0.928 5.8-159.9-109.7 125.4 18.5 10.9 32.5 240 69 B Y E -FG 187 226C 10 -53,-3.0 -53,-2.2 -2,-0.5 2,-0.4 -0.840 8.1-175.3-108.5 140.0 18.7 7.2 33.6 241 70 B A E - G 0 225C 5 -16,-2.1 -16,-2.7 -2,-0.4 -55,-0.1 -0.994 25.8-118.8-134.1 137.9 17.1 4.2 31.9 242 71 B I E - G 0 224C 26 -60,-0.6 -18,-0.3 -2,-0.4 2,-0.2 -0.398 29.0-144.7 -71.7 148.1 16.9 0.6 32.9 243 72 B T > - 0 0 30 -20,-2.3 4,-2.6 1,-0.1 5,-0.2 -0.628 29.4 -99.9-103.1 170.4 18.6 -2.0 30.6 244 73 B E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.919 127.0 48.2 -51.5 -46.6 17.6 -5.5 29.7 245 74 B S H > S+ 0 0 49 -23,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.828 109.4 53.4 -68.0 -31.2 20.1 -6.8 32.2 246 75 B G H > S+ 0 0 0 -24,-0.3 4,-2.4 -23,-0.2 -1,-0.2 0.904 108.2 49.2 -66.8 -42.4 18.8 -4.4 34.8 247 76 B K H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.889 110.8 51.9 -61.4 -39.1 15.2 -5.7 34.2 248 77 B K H X S+ 0 0 84 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.892 109.9 48.6 -63.2 -41.0 16.6 -9.2 34.6 249 78 B E H X S+ 0 0 67 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.872 111.4 49.3 -69.4 -40.0 18.3 -8.3 37.9 250 79 B L H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.945 111.3 49.1 -62.2 -47.8 15.1 -6.7 39.2 251 80 B A H X S+ 0 0 52 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.906 111.6 50.0 -59.6 -42.8 13.1 -9.7 38.3 252 81 B S H >X S+ 0 0 80 -4,-2.3 3,-1.3 1,-0.2 4,-0.7 0.957 110.0 50.4 -58.0 -52.6 15.6 -11.9 40.0 253 82 B Y H >< S+ 0 0 20 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.901 106.6 53.9 -54.5 -44.9 15.5 -9.8 43.1 254 83 B L H 3< S+ 0 0 35 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.705 108.3 51.9 -67.9 -15.3 11.7 -9.9 43.2 255 84 B Q H << S+ 0 0 163 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.588 93.2 101.0 -90.8 -10.6 12.0 -13.8 43.1 256 85 B S S << S- 0 0 46 -3,-1.4 2,-0.1 -4,-0.7 3,-0.1 -0.219 87.7 -86.4 -76.3 160.5 14.5 -13.9 46.0 257 86 B D - 0 0 145 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.413 56.6-100.1 -59.7 140.6 13.7 -14.8 49.6 258 87 B V - 0 0 23 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.453 38.3-131.9 -68.9 136.6 12.7 -11.7 51.5 259 88 B N - 0 0 71 -2,-0.2 178,-0.3 1,-0.1 179,-0.3 -0.431 30.3 -85.8 -86.0 159.4 15.4 -10.1 53.6 260 89 B D - 0 0 101 -2,-0.1 -1,-0.1 1,-0.1 177,-0.1 -0.373 49.6-108.7 -61.0 141.3 15.2 -8.9 57.3 261 90 B E - 0 0 21 175,-0.1 2,-0.5 -3,-0.1 175,-0.2 -0.401 28.0-136.8 -66.7 149.3 13.8 -5.4 57.7 262 91 B I E +I 435 0D 19 173,-2.4 173,-2.6 -3,-0.1 2,-0.3 -0.937 29.6 167.0-106.0 131.6 16.3 -2.8 58.8 263 92 B F E +IJ 434 376D 3 113,-1.8 113,-2.4 -2,-0.5 2,-0.4 -0.910 7.7 169.0-148.4 118.4 15.2 -0.4 61.5 264 93 B K E -IJ 433 375D 40 169,-2.5 169,-2.8 -2,-0.3 2,-0.7 -0.957 12.4-168.4-131.8 113.0 17.5 1.9 63.4 265 94 B S > - 0 0 1 109,-2.9 4,-1.9 -2,-0.4 167,-0.1 -0.880 14.8-175.5-110.0 110.5 15.8 4.6 65.5 266 95 B D H > S+ 0 0 2 -2,-0.7 4,-2.5 164,-0.3 -1,-0.2 0.884 89.1 57.7 -66.7 -38.6 18.0 7.3 66.9 267 96 B F H > S+ 0 0 2 163,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.957 108.9 43.1 -53.4 -54.7 14.9 8.7 68.7 268 97 B L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 110.9 57.3 -62.4 -36.8 14.3 5.4 70.6 269 98 B M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.919 103.9 52.3 -59.4 -45.0 18.0 5.1 71.3 270 99 B R H < S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.7 44.6 -59.8 -43.5 18.0 8.5 73.0 271 100 B L H >< S+ 0 0 0 -4,-1.7 3,-1.3 2,-0.2 -1,-0.2 0.879 110.8 54.2 -68.0 -36.0 15.1 7.5 75.3 272 101 B F H 3< S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.3 216,-0.2 0.930 122.1 29.1 -65.3 -42.6 16.7 4.0 76.0 273 102 B F T 3< S+ 0 0 28 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.3 -0.046 94.1 109.9-102.0 28.3 19.9 5.6 77.2 274 103 B G < + 0 0 6 -3,-1.3 3,-0.2 1,-0.2 -1,-0.1 -0.206 25.3 133.5-102.6 44.6 18.2 8.7 78.4 275 104 B N S S+ 0 0 94 -2,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.767 79.2 40.3 -62.3 -27.3 18.6 8.3 82.1 276 105 B S S S+ 0 0 106 -3,-0.3 -1,-0.2 2,-0.0 -2,-0.1 0.696 80.2 135.4 -97.4 -23.0 19.8 11.9 82.6 277 106 B L - 0 0 46 -7,-0.2 -3,-0.0 -3,-0.2 -6,-0.0 0.049 57.7-120.4 -35.5 120.2 17.5 13.7 80.1 278 107 B N > - 0 0 82 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.249 24.3-112.9 -52.6 148.7 16.0 16.8 81.6 279 108 B D H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.847 120.9 47.8 -58.1 -33.1 12.2 16.9 81.8 280 109 B D H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 109.3 51.4 -74.4 -41.6 12.3 19.7 79.2 281 110 B D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 111.0 50.1 -62.3 -38.7 14.7 17.9 77.0 282 111 B L H X S+ 0 0 34 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.953 109.1 49.0 -65.5 -49.7 12.5 14.8 77.1 283 112 B E H X S+ 0 0 36 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.892 112.1 51.0 -57.3 -38.3 9.3 16.7 76.2 284 113 B Q H X S+ 0 0 104 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.917 108.2 50.2 -66.9 -45.6 11.1 18.3 73.3 285 114 B L H X S+ 0 0 22 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.915 113.3 47.3 -57.9 -45.1 12.4 15.0 71.9 286 115 B I H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 112.3 48.1 -64.2 -46.6 8.9 13.6 72.1 287 116 B R H X S+ 0 0 135 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 111.6 50.1 -60.4 -42.2 7.3 16.6 70.4 288 117 B E H X S+ 0 0 74 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.829 110.1 50.0 -68.5 -32.3 9.8 16.7 67.6 289 118 B E H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.885 108.1 53.2 -71.8 -39.7 9.3 13.0 66.9 290 119 B I H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.941 108.2 51.7 -56.9 -44.2 5.6 13.5 66.8 291 120 B E H X S+ 0 0 121 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.874 107.4 51.6 -60.3 -38.9 6.2 16.3 64.3 292 121 B R H X S+ 0 0 44 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.900 110.6 48.8 -63.9 -42.2 8.3 13.9 62.1 293 122 B K H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.915 109.8 52.0 -64.4 -42.8 5.5 11.4 62.2 294 123 B E H X S+ 0 0 93 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 108.7 50.2 -60.4 -42.3 3.0 14.0 61.2 295 124 B E H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 113.3 46.0 -63.7 -41.2 5.1 15.1 58.2 296 125 B K H X S+ 0 0 19 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.890 111.4 51.3 -70.2 -39.2 5.4 11.5 57.0 297 126 B I H X S+ 0 0 21 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.923 110.8 49.6 -61.1 -43.8 1.7 10.8 57.5 298 127 B K H X S+ 0 0 133 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.956 112.8 46.3 -59.8 -51.7 0.9 13.9 55.5 299 128 B R H X S+ 0 0 88 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.920 116.4 44.4 -56.8 -47.9 3.2 12.9 52.7 300 129 B L H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.913 113.5 49.6 -67.3 -43.0 2.0 9.3 52.6 301 130 B S H X S+ 0 0 40 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.900 111.5 49.7 -63.3 -41.6 -1.7 10.3 52.8 302 131 B E H X S+ 0 0 92 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.923 110.6 48.9 -63.4 -45.2 -1.4 12.8 50.0 303 132 B N H X S+ 0 0 20 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.879 108.8 54.4 -63.3 -37.8 0.4 10.3 47.7 304 133 B L H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.953 111.0 45.6 -56.2 -51.1 -2.3 7.7 48.4 305 134 B E H X S+ 0 0 106 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.932 115.9 44.9 -60.8 -49.9 -5.0 10.2 47.4 306 135 B I H X S+ 0 0 84 -4,-2.7 4,-2.3 2,-0.2 6,-0.2 0.937 114.5 46.9 -60.0 -51.2 -3.1 11.3 44.2 307 136 B W H <>S+ 0 0 19 -4,-2.9 5,-2.6 1,-0.2 6,-1.3 0.889 113.8 50.1 -60.6 -39.6 -2.1 7.8 43.1 308 137 B K H ><5S+ 0 0 106 -4,-2.4 3,-1.1 -5,-0.3 -1,-0.2 0.931 111.8 46.6 -63.1 -48.6 -5.7 6.7 43.7 309 138 B K H 3<5S+ 0 0 155 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.841 111.3 52.2 -64.7 -33.8 -7.2 9.5 41.7 310 139 B K T 3<5S- 0 0 135 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.506 111.0-121.4 -79.0 -7.7 -4.8 9.0 38.9 311 140 B G T < 5S+ 0 0 69 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.788 83.8 113.1 69.3 29.1 -5.7 5.3 38.7 312 141 B E < + 0 0 98 -5,-2.6 2,-0.3 -6,-0.2 -4,-0.2 0.683 38.8 106.5-101.7 -23.5 -2.1 4.4 39.3 313 142 B L - 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L 0 396E 9 -16,-1.9 -16,-2.7 -2,-0.4 -55,-0.1 -0.998 25.4-119.6-139.7 133.9 35.2 -1.3 79.3 413 71 C I E - L 0 395E 27 -60,-0.6 -18,-0.3 -2,-0.4 2,-0.2 -0.401 29.2-143.6 -69.7 146.1 34.3 2.2 78.4 414 72 C T > - 0 0 30 -20,-2.2 4,-2.5 1,-0.1 5,-0.2 -0.528 29.5-100.9 -99.5 173.5 37.1 4.9 78.8 415 73 C E H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 127.6 51.0 -56.4 -42.2 36.9 8.5 80.0 416 74 C S H > S+ 0 0 51 -23,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.776 109.4 50.2 -69.3 -27.7 37.2 9.4 76.3 417 75 C G H > S+ 0 0 0 -24,-0.3 4,-2.6 -23,-0.2 -1,-0.2 0.869 108.3 52.1 -73.1 -39.1 34.4 7.0 75.4 418 76 C K H X S+ 0 0 99 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.900 110.2 49.4 -63.6 -39.0 32.1 8.4 78.2 419 77 C K H X S+ 0 0 158 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.926 110.8 49.6 -65.5 -45.5 32.7 11.9 76.7 420 78 C E H X S+ 0 0 59 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.903 111.1 49.0 -59.2 -45.3 31.9 10.7 73.2 421 79 C L H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.950 110.3 51.6 -61.4 -46.6 28.7 9.1 74.4 422 80 C A H X S+ 0 0 50 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.916 110.9 48.0 -55.7 -46.3 27.7 12.2 76.3 423 81 C S H >X S+ 0 0 70 -4,-2.5 4,-1.1 1,-0.2 3,-0.7 0.937 109.9 52.8 -60.0 -45.9 28.3 14.3 73.2 424 82 C Y H >< S+ 0 0 23 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.907 107.4 50.5 -58.7 -41.9 26.3 11.9 71.1 425 83 C L H 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.738 110.2 50.8 -72.1 -19.7 23.3 12.1 73.4 426 84 C Q H << S+ 0 0 162 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.629 93.2 101.3 -86.7 -14.5 23.4 15.9 73.3 427 85 C S S << S- 0 0 46 -4,-1.1 2,-0.1 -3,-0.8 3,-0.1 -0.196 89.1 -84.9 -67.8 159.5 23.5 15.8 69.4 428 86 C D - 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N 0 566F 26 -60,-0.7 -18,-0.3 -2,-0.4 2,-0.2 -0.429 29.9-144.8 -72.0 144.4 4.4 1.0 23.8 585 72 D T > - 0 0 32 -20,-2.0 4,-2.6 -2,-0.1 5,-0.2 -0.567 30.2 -98.7-100.3 171.8 2.6 -1.5 26.0 586 73 D E H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.925 127.9 48.4 -54.0 -45.9 3.5 -5.1 26.7 587 74 D S H > S+ 0 0 46 -23,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.844 109.9 54.1 -65.9 -30.6 0.9 -6.2 24.1 588 75 D G H > S+ 0 0 0 -24,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.924 106.9 49.2 -66.1 -43.9 2.4 -3.7 21.8 589 76 D K H X S+ 0 0 74 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.881 111.3 51.2 -63.7 -37.1 5.9 -5.1 22.2 590 77 D K H X S+ 0 0 158 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.894 108.9 50.3 -65.6 -41.8 4.4 -8.6 21.5 591 78 D E H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.904 111.5 48.2 -64.3 -41.9 2.7 -7.4 18.4 592 79 D L H X S+ 0 0 15 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.932 109.9 52.1 -63.6 -45.9 6.0 -5.8 17.1 593 80 D A H X S+ 0 0 49 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.922 111.0 47.6 -56.2 -45.3 7.9 -9.0 17.9 594 81 D S H >X S+ 0 0 70 -4,-2.3 4,-1.1 1,-0.2 3,-0.7 0.928 111.1 51.5 -62.9 -44.1 5.4 -11.1 15.9 595 82 D Y H >< S+ 0 0 24 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.943 108.2 50.2 -58.7 -47.4 5.5 -8.6 13.0 596 83 D L H 3< S+ 0 0 43 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.678 110.8 51.4 -68.8 -15.3 9.3 -8.7 12.8 597 84 D Q H << S+ 0 0 158 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.634 92.5 99.6 -90.0 -16.5 9.1 -12.6 12.8 598 85 D S S << S- 0 0 48 -3,-1.2 2,-0.1 -4,-1.1 3,-0.1 -0.157 90.0 -84.9 -66.6 161.7 6.5 -12.6 9.9 599 86 D D - 0 0 143 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.430 55.0 -98.5 -64.5 142.6 7.5 -13.2 6.3 600 87 D V - 0 0 18 -3,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.452 39.5-132.1 -65.9 130.5 8.7 -10.1 4.6 601 88 D N - 0 0 70 -2,-0.2 -505,-0.4 1,-0.1 -506,-0.3 -0.406 29.7 -89.5 -80.6 158.7 5.9 -8.5 2.5 602 89 D D - 0 0 112 1,-0.1 -1,-0.1 -2,-0.1 -507,-0.1 -0.354 50.4-103.6 -62.6 148.1 6.4 -7.3 -1.1 603 90 D E - 0 0 17 -509,-0.1 2,-0.5 -3,-0.1 -509,-0.2 -0.406 27.7-134.3 -69.4 149.6 7.6 -3.7 -1.4 604 91 D I E + D 0 93B 22 -511,-2.7 -511,-2.5 -3,-0.1 2,-0.4 -0.945 32.9 166.8-103.3 128.0 5.0 -1.2 -2.5 605 92 D F E +CD 34 92B 2 -571,-1.6 -571,-2.2 -2,-0.5 2,-0.4 -0.944 9.0 169.6-145.9 119.3 6.3 1.2 -5.2 606 93 D K E -CD 33 91B 37 -515,-2.6 -515,-2.6 -2,-0.4 2,-0.7 -0.940 10.1-170.5-133.7 112.3 4.1 3.5 -7.2 607 94 D S > - 0 0 1 -575,-2.4 4,-1.9 -2,-0.4 -517,-0.1 -0.898 12.6-174.1-108.0 111.7 5.8 6.1 -9.4 608 95 D D H > S+ 0 0 0 -2,-0.7 4,-2.4 -520,-0.3 5,-0.2 0.881 89.5 58.8 -66.4 -39.1 3.6 8.8 -10.9 609 96 D F H > S+ 0 0 4 -521,-0.3 4,-1.7 1,-0.2 5,-0.2 0.949 107.7 44.2 -54.4 -49.7 6.6 10.0 -12.8 610 97 D L H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.924 110.1 55.6 -65.4 -40.8 7.2 6.7 -14.5 611 98 D M H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.900 105.2 53.4 -55.5 -43.6 3.5 6.3 -15.2 612 99 D R H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 112.9 42.7 -59.6 -43.5 3.5 9.6 -17.1 613 100 D L H >< S+ 0 0 0 -4,-1.7 3,-1.5 2,-0.2 -2,-0.2 0.908 112.7 53.1 -70.7 -39.9 6.4 8.5 -19.3 614 101 D F H 3< S+ 0 0 15 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.918 122.7 29.3 -60.3 -42.4 4.9 5.1 -19.8 615 102 D F T 3< S+ 0 0 19 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.3 -0.021 94.7 109.8-104.0 29.4 1.6 6.6 -21.0 616 103 D G X + 0 0 5 -3,-1.5 3,-0.6 1,-0.2 -1,-0.2 -0.183 24.2 131.0-106.5 40.3 3.3 9.7 -22.3 617 104 D N T 3 S+ 0 0 83 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.847 77.0 47.6 -58.0 -36.0 2.9 9.2 -26.1 618 105 D S T 3 S+ 0 0 106 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 0.659 80.3 123.2 -85.2 -17.6 1.6 12.7 -26.5 619 106 D L < - 0 0 43 -3,-0.6 2,-0.1 -7,-0.2 -3,-0.0 -0.166 56.1-137.4 -49.7 126.6 4.3 14.6 -24.4 620 107 D N > - 0 0 82 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.480 31.0 -99.7 -79.2 160.3 6.0 17.2 -26.4 621 108 D D H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 122.9 50.9 -49.2 -41.5 9.8 17.5 -26.0 622 109 D D H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 110.2 45.8 -62.4 -51.9 9.4 20.4 -23.6 623 110 D D H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 114.8 49.8 -62.4 -37.2 6.9 18.8 -21.3 624 111 D L H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.966 110.7 47.4 -64.0 -54.7 9.0 15.6 -21.2 625 112 D E H X S+ 0 0 79 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.889 111.3 53.9 -55.1 -40.0 12.2 17.4 -20.4 626 113 D Q H X S+ 0 0 92 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.932 107.8 48.4 -60.9 -47.5 10.4 19.3 -17.7 627 114 D L H X S+ 0 0 25 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.917 113.0 48.8 -60.1 -42.7 9.1 16.1 -16.1 628 115 D I H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.939 110.4 49.5 -64.6 -45.8 12.6 14.6 -16.2 629 116 D R H X S+ 0 0 120 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.909 111.3 49.8 -60.8 -41.5 14.3 17.7 -14.7 630 117 D E H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.864 109.8 50.4 -65.8 -37.0 11.7 17.8 -11.8 631 118 D E H X S+ 0 0 13 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.896 108.0 53.3 -69.0 -39.7 12.2 14.1 -11.0 632 119 D I H X S+ 0 0 15 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 109.5 49.8 -56.2 -43.1 16.0 14.7 -10.9 633 120 D E H X S+ 0 0 134 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.919 108.0 52.0 -63.8 -44.7 15.4 17.5 -8.4 634 121 D R H X S+ 0 0 86 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.8 47.5 -56.7 -41.5 13.2 15.3 -6.3 635 122 D K H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 107.7 54.8 -69.5 -40.0 15.9 12.7 -6.2 636 123 D E H X S+ 0 0 72 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 110.1 48.2 -56.8 -44.1 18.6 15.2 -5.4 637 124 D E H X S+ 0 0 89 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.921 110.2 49.7 -63.6 -44.6 16.6 16.3 -2.4 638 125 D K H X S+ 0 0 33 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.885 110.7 51.4 -63.8 -38.6 16.0 12.7 -1.1 639 126 D I H X S+ 0 0 19 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.933 109.4 50.2 -59.8 -47.7 19.7 12.0 -1.4 640 127 D K H X S+ 0 0 129 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.942 112.6 46.0 -57.6 -49.3 20.5 15.2 0.6 641 128 D R H X S+ 0 0 81 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.903 116.3 44.1 -62.2 -42.9 18.1 14.3 3.4 642 129 D L H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.906 113.8 49.7 -71.3 -41.8 19.2 10.6 3.6 643 130 D S H X S+ 0 0 42 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.898 109.8 52.9 -60.5 -41.7 22.9 11.5 3.4 644 131 D E H X S+ 0 0 52 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.930 110.0 46.6 -62.5 -46.0 22.4 14.1 6.2 645 132 D N H X S+ 0 0 22 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.879 108.9 56.3 -65.3 -36.7 20.7 11.6 8.5 646 133 D L H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.934 109.7 44.7 -55.8 -50.1 23.5 9.0 7.8 647 134 D E H X S+ 0 0 48 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.909 114.5 48.6 -65.7 -43.1 26.2 11.4 8.9 648 135 D I H X S+ 0 0 100 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 113.6 45.5 -61.0 -50.9 24.4 12.5 12.0 649 136 D W H X>S+ 0 0 18 -4,-2.6 5,-2.5 2,-0.2 6,-0.9 0.912 113.7 50.6 -60.8 -43.3 23.5 9.0 13.1 650 137 D K H ><5S+ 0 0 108 -4,-2.4 3,-1.4 -5,-0.3 -2,-0.2 0.959 110.7 46.7 -61.2 -52.9 27.1 7.8 12.5 651 138 D K H 3<5S+ 0 0 194 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.849 112.2 52.7 -57.5 -34.2 28.8 10.7 14.4 652 139 D K H 3<5S- 0 0 138 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.620 110.9-122.1 -77.7 -14.2 26.3 10.1 17.3 653 140 D G T <<5S+ 0 0 68 -3,-1.4 -3,-0.2 -4,-0.8 -2,-0.1 0.761 83.2 112.5 76.5 26.9 27.1 6.4 17.4 654 141 D E < + 0 0 92 -5,-2.5 2,-0.7 -6,-0.2 -4,-0.2 0.516 39.4 106.6-108.0 -7.1 23.5 5.4 16.8 655 142 D L - 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