==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-AUG-01 1JQC . COMPND 2 MOLECULE: PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.HOGBOM,M.E.ANDERSSON,P.NORDLUND . 681 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 76.5 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 . 20 2.9 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 0.6 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 . 23 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 392 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.2 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 1 1 0 3 0 3 1 0 2 0 2 0 0 0 4 0 2 0 2 0 0 0 1 0 2 1 2 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 A 0 0 96 0, 0.0 2,-0.3 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 17.7 13.7 -13.7 29.0 2 2 A Y - 0 0 22 497,-0.1 2,-0.4 166,-0.1 501,-0.1 -0.646 360.0-167.6 -85.3 145.2 14.4 -10.5 30.8 3 3 A T - 0 0 28 -2,-0.3 3,-0.4 94,-0.1 493,-0.1 -0.998 27.4-146.3-138.5 142.7 17.8 -9.0 30.4 4 4 A T S S+ 0 0 0 -2,-0.4 426,-0.1 491,-0.3 427,-0.1 0.600 101.0 24.9 -78.3 -13.6 19.7 -6.2 32.1 5 5 A F S S- 0 0 22 490,-0.1 -1,-0.3 20,-0.0 19,-0.2 -0.578 81.6-148.9-151.6 89.6 21.5 -5.3 28.9 6 6 A S - 0 0 7 -3,-0.4 19,-0.1 17,-0.3 -4,-0.0 -0.301 6.2-148.7 -59.6 131.5 19.7 -6.3 25.7 7 7 A Q + 0 0 159 2,-0.1 2,-0.4 17,-0.1 -1,-0.1 0.561 65.5 98.9 -82.9 -10.2 22.3 -7.1 22.9 8 8 A T S S- 0 0 86 1,-0.1 2,-1.0 475,-0.0 16,-0.1 -0.659 76.7-126.8 -81.4 129.2 20.3 -5.9 20.0 9 9 A K + 0 0 114 -2,-0.4 2,-0.3 15,-0.1 -2,-0.1 -0.660 45.4 176.6 -73.2 105.7 21.1 -2.5 18.6 10 10 A N - 0 0 23 -2,-1.0 2,-1.0 11,-0.0 14,-0.1 -0.808 39.5-115.0-117.1 156.4 17.5 -1.0 18.7 11 11 A D > - 0 0 69 -2,-0.3 3,-1.6 1,-0.2 4,-0.3 -0.786 25.8-163.8 -86.4 103.9 16.0 2.4 17.9 12 12 A Q G > S+ 0 0 11 -2,-1.0 3,-0.7 1,-0.3 20,-0.2 0.701 83.3 67.3 -64.2 -20.8 14.7 3.5 21.3 13 13 A L G 3 S+ 0 0 63 1,-0.2 -1,-0.3 18,-0.1 88,-0.0 0.693 103.1 48.5 -69.7 -16.5 12.5 6.2 19.7 14 14 A K G < S+ 0 0 168 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.414 86.7 99.9-106.2 2.3 10.4 3.4 18.2 15 15 A E S < S- 0 0 33 -3,-0.7 2,-0.1 -4,-0.3 4,-0.1 -0.489 76.9-111.0 -84.8 158.2 9.8 1.1 21.1 16 16 A P - 0 0 29 0, 0.0 4,-0.3 0, 0.0 84,-0.3 -0.366 32.1-107.6 -75.6 167.0 6.5 1.2 23.0 17 17 A M S S+ 0 0 0 1,-0.1 83,-2.5 82,-0.1 84,-0.6 0.913 101.8 23.8 -59.9 -44.5 6.5 2.5 26.5 18 18 A F B S+A 99 0A 4 81,-0.3 81,-0.2 82,-0.2 -1,-0.1 -0.899 117.3 19.5-126.4 152.6 6.1 -1.1 27.9 19 19 A F S S+ 0 0 23 79,-2.7 80,-0.1 -2,-0.3 -1,-0.1 0.477 89.3 109.5 70.8 9.2 6.7 -4.6 26.7 20 20 A G S S- 0 0 26 78,-0.4 -1,-0.2 -4,-0.3 81,-0.1 -0.009 85.9 -40.0 -89.9-152.0 9.2 -3.8 24.0 21 21 A Q S S- 0 0 37 79,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.476 73.2-104.8 -72.4 133.2 12.9 -4.7 24.1 22 22 A P - 0 0 28 0, 0.0 78,-0.2 0, 0.0 -16,-0.2 -0.260 48.1 -93.0 -55.3 146.0 14.3 -4.0 27.6 23 23 A V + 0 0 2 76,-0.9 -17,-0.3 1,-0.1 3,-0.1 -0.433 45.3 176.5 -63.8 131.3 16.4 -0.8 27.7 24 24 A N + 0 0 4 1,-0.3 2,-0.3 -19,-0.2 -1,-0.1 0.786 63.3 35.9 -97.7 -79.9 20.1 -1.3 27.1 25 25 A V S S- 0 0 3 -19,-0.1 2,-0.9 453,-0.1 -1,-0.3 -0.539 72.5-140.7 -78.4 132.9 21.9 2.2 26.9 26 26 A A + 0 0 3 396,-0.3 2,-0.3 -2,-0.3 438,-0.1 -0.829 38.2 159.8 -93.3 109.7 20.6 4.9 29.2 27 27 A R - 0 0 9 -2,-0.9 434,-0.1 3,-0.1 433,-0.0 -0.947 29.7-171.9-131.9 151.0 20.8 8.0 27.2 28 28 A Y + 0 0 6 -2,-0.3 3,-0.1 432,-0.2 -1,-0.0 0.135 61.4 97.7-132.4 22.0 19.0 11.4 27.6 29 29 A D S S+ 0 0 30 1,-0.1 2,-0.3 445,-0.0 -1,-0.1 0.554 96.2 17.2 -87.9 -10.2 19.9 13.3 24.5 30 30 A Q - 0 0 48 -3,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.976 67.2-164.1-156.4 157.0 16.6 12.3 22.8 31 31 A Q - 0 0 43 -2,-0.3 3,-0.3 1,-0.1 -18,-0.1 -0.995 27.6-144.6-147.5 146.4 13.2 11.0 23.9 32 32 A K S S+ 0 0 56 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.866 108.9 22.9 -70.9 -41.0 10.2 9.4 22.3 33 33 A Y >> - 0 0 27 1,-0.1 3,-1.4 -3,-0.1 4,-0.6 -0.897 69.5-167.5-128.3 102.7 8.2 11.4 25.0 34 34 A D H 3> S+ 0 0 97 -2,-0.5 4,-2.6 -3,-0.3 3,-0.3 0.717 77.6 80.9 -64.1 -16.8 9.9 14.4 26.4 35 35 A I H 3> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.862 92.2 51.2 -56.5 -36.5 7.3 14.7 29.2 36 36 A F H <> S+ 0 0 0 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.882 108.5 49.9 -71.6 -34.6 9.2 12.0 31.1 37 37 A E H X S+ 0 0 13 -4,-0.6 4,-2.7 -3,-0.3 -2,-0.2 0.904 111.4 50.3 -64.8 -39.9 12.5 13.8 30.7 38 38 A K H X S+ 0 0 102 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.906 109.5 50.7 -64.7 -37.6 10.8 17.0 32.0 39 39 A L H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.911 109.2 50.4 -66.3 -42.4 9.4 15.1 34.9 40 40 A I H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.971 112.4 48.1 -59.3 -48.1 12.9 13.7 35.8 41 41 A E H X S+ 0 0 94 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.915 113.1 47.1 -60.5 -43.2 14.4 17.2 35.6 42 42 A K H X S+ 0 0 105 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.934 112.0 48.8 -66.6 -42.5 11.6 18.7 37.8 43 43 A Q H < S+ 0 0 10 -4,-2.7 3,-0.4 1,-0.2 4,-0.2 0.911 111.0 51.1 -62.2 -41.9 11.8 16.0 40.5 44 44 A L H >< S+ 0 0 7 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 0.885 107.4 54.1 -62.8 -36.4 15.6 16.4 40.6 45 45 A S H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.751 106.1 54.1 -69.5 -21.6 15.1 20.2 41.0 46 46 A F T 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.397 75.7 146.2 -89.2 -1.7 12.8 19.5 44.0 47 47 A F < + 0 0 50 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.1 -0.104 22.1 172.4 -41.1 127.5 15.4 17.3 45.9 48 48 A W - 0 0 24 185,-0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.968 30.7-135.2-141.8 153.9 14.9 17.8 49.6 49 49 A R > - 0 0 43 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 -0.946 10.5-154.8-113.9 114.9 16.4 16.2 52.8 50 50 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.850 88.2 63.3 -53.8 -42.8 13.8 15.5 55.5 51 51 A E G 3 S+ 0 0 65 1,-0.3 4,-0.2 3,-0.0 70,-0.0 0.713 94.1 63.0 -60.0 -24.0 16.1 15.6 58.4 52 52 A E G < S+ 0 0 161 -3,-1.3 2,-0.4 2,-0.1 -1,-0.3 0.650 80.1 99.8 -75.2 -17.4 16.9 19.2 57.8 53 53 A V S < S- 0 0 22 -3,-2.1 2,-0.7 -4,-0.4 173,-0.1 -0.567 81.4-122.4 -75.2 128.0 13.3 20.2 58.5 54 54 A D + 0 0 110 -2,-0.4 3,-0.2 1,-0.2 175,-0.1 -0.553 43.1 160.3 -71.4 111.3 12.9 21.5 62.0 55 55 A V >> + 0 0 4 -2,-0.7 3,-0.7 -4,-0.2 4,-0.7 0.106 38.3 112.5-116.4 20.7 10.3 19.3 63.8 56 56 A S H 3> S+ 0 0 82 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.838 77.7 47.5 -64.0 -33.0 11.3 20.3 67.3 57 57 A R H 3> S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.605 95.7 74.4 -85.8 -10.8 8.0 22.2 68.1 58 58 A D H <> S+ 0 0 3 -3,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.818 90.2 56.7 -69.3 -30.2 5.8 19.5 66.7 59 59 A R H X S+ 0 0 84 -4,-0.7 4,-2.4 -3,-0.5 5,-0.2 0.947 110.1 45.1 -65.4 -45.8 6.5 17.3 69.8 60 60 A I H X S+ 0 0 100 -4,-0.7 4,-1.4 1,-0.2 -2,-0.2 0.959 116.6 46.3 -59.9 -51.0 5.2 20.1 72.1 61 61 A D H X S+ 0 0 11 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.921 112.6 50.1 -57.9 -46.6 2.2 20.7 69.8 62 62 A Y H >< S+ 0 0 24 -4,-3.1 3,-1.0 1,-0.2 -1,-0.2 0.926 109.0 48.9 -62.0 -45.4 1.4 17.0 69.5 63 63 A Q H 3< S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 108.4 57.9 -66.7 -22.1 1.4 16.3 73.2 64 64 A A H 3< S+ 0 0 77 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.689 85.3 101.4 -79.2 -19.8 -0.8 19.3 73.6 65 65 A L S << S- 0 0 7 -3,-1.0 5,-0.0 -4,-0.8 -3,-0.0 -0.342 84.5-104.0 -67.5 145.6 -3.5 17.9 71.3 66 66 A P >> - 0 0 63 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.334 41.9-102.0 -61.4 156.4 -6.6 16.4 72.9 67 67 A E H 3> S+ 0 0 131 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.830 120.4 50.6 -49.4 -47.2 -6.5 12.6 72.6 68 68 A H H 3> S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.802 108.9 51.5 -66.7 -30.9 -8.9 12.3 69.7 69 69 A E H <> S+ 0 0 20 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.846 108.1 52.5 -73.9 -33.0 -6.9 14.9 67.7 70 70 A K H X S+ 0 0 38 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.931 109.9 50.5 -63.6 -42.5 -3.8 12.8 68.4 71 71 A H H X S+ 0 0 30 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.903 111.5 46.2 -61.2 -45.1 -5.7 9.8 67.0 72 72 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.951 115.7 46.3 -62.8 -48.7 -6.7 11.7 63.9 73 73 A F H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.951 117.8 40.8 -60.4 -49.0 -3.2 13.0 63.3 74 74 A I H X S+ 0 0 17 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.867 112.0 54.4 -72.6 -36.7 -1.4 9.7 63.9 75 75 A S H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.928 112.0 46.3 -62.8 -41.7 -3.9 7.5 62.1 76 76 A N H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.923 112.2 49.8 -64.2 -46.0 -3.4 9.7 59.0 77 77 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.888 107.4 54.2 -63.1 -37.2 0.3 9.7 59.3 78 78 A K H X S+ 0 0 19 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.888 109.2 49.5 -64.9 -37.6 0.4 5.8 59.6 79 79 A Y H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.924 109.1 50.5 -67.3 -44.7 -1.6 5.6 56.4 80 80 A Q H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.923 110.8 51.2 -55.5 -42.3 0.8 8.0 54.6 81 81 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 286,-0.3 0.901 109.7 49.4 -64.4 -40.0 3.6 5.8 55.9 82 82 A L H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.965 111.9 47.9 -61.1 -54.1 1.9 2.6 54.5 83 83 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.913 114.1 44.8 -57.8 -42.4 1.3 4.1 51.1 84 84 A D H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.785 107.9 58.4 -75.9 -25.8 4.9 5.4 50.7 85 85 A S H X S+ 0 0 1 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.935 112.9 40.9 -63.7 -45.9 6.4 2.1 51.9 86 86 A I H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.911 115.3 50.8 -65.9 -43.7 4.6 0.5 49.1 87 87 A Q H < S+ 0 0 0 -4,-2.7 28,-0.2 -5,-0.2 -1,-0.2 0.717 101.1 62.4 -72.4 -18.9 5.4 3.2 46.6 88 88 A G H < S+ 0 0 3 -4,-1.7 4,-0.3 27,-0.2 -1,-0.2 0.928 120.3 21.2 -70.6 -40.1 9.1 3.2 47.3 89 89 A R H X S+ 0 0 1 -4,-1.1 4,-2.3 -3,-0.2 3,-0.2 0.844 111.6 69.5 -96.2 -30.1 9.6 -0.4 46.2 90 90 A S H X>S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.6 0.840 93.2 51.9 -68.6 -40.4 6.6 -1.1 43.9 91 91 A P H >>S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 5,-1.7 0.920 115.5 46.8 -61.5 -35.2 7.3 1.0 40.8 92 92 A N H 45S+ 0 0 1 -4,-0.3 -2,-0.2 -3,-0.2 -3,-0.1 0.898 118.9 37.5 -74.4 -40.7 10.8 -0.6 40.7 93 93 A V H <5S+ 0 0 11 -4,-2.3 -1,-0.2 3,-0.1 -3,-0.2 0.836 129.0 30.9 -80.5 -28.2 9.7 -4.2 41.2 94 94 A A H <5S+ 0 0 2 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.1 0.804 129.8 27.2 -99.4 -33.4 6.6 -4.1 39.1 95 95 A L T >X4 S- 0 0 0 -84,-0.6 4,-2.1 1,-0.1 3,-0.3 -0.995 72.5-135.5-128.0 137.6 12.2 3.5 26.6 102 102 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.853 100.3 57.2 -60.8 -38.2 15.0 5.0 28.7 103 103 A E H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.887 112.2 42.5 -63.5 -37.4 13.2 8.2 29.7 104 104 A L H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.883 111.1 55.8 -76.6 -33.8 10.4 6.3 31.3 105 105 A E H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.961 112.9 41.1 -61.6 -48.7 12.8 3.8 32.9 106 106 A T H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.868 111.8 56.3 -69.6 -31.9 14.7 6.6 34.6 107 107 A W H X S+ 0 0 0 -4,-1.8 4,-3.1 -5,-0.3 5,-0.2 0.942 107.7 48.9 -62.5 -46.4 11.5 8.4 35.5 108 108 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.917 112.8 46.4 -59.5 -40.5 10.2 5.3 37.3 109 109 A E H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.825 115.0 47.7 -70.7 -30.4 13.5 4.9 39.2 110 110 A T H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.915 112.4 48.5 -73.3 -44.1 13.5 8.6 40.1 111 111 A W H X S+ 0 0 0 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.956 112.8 47.8 -59.2 -52.3 9.9 8.6 41.2 112 112 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.4 0.919 111.1 51.9 -58.5 -43.7 10.4 5.4 43.4 113 113 A F H X S+ 0 0 8 -4,-2.0 4,-1.3 1,-0.2 3,-0.5 0.899 105.0 55.2 -58.3 -42.8 13.5 7.0 44.9 114 114 A S H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.838 103.3 56.7 -61.4 -29.5 11.5 10.2 45.8 115 115 A E H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.4 -1,-0.2 0.845 100.6 56.8 -71.7 -32.9 9.0 8.0 47.6 116 116 A T H X S+ 0 0 2 -4,-1.3 4,-2.1 -3,-0.5 -1,-0.2 0.841 104.5 53.7 -66.0 -30.9 11.8 6.6 49.9 117 117 A I H X S+ 0 0 6 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.908 106.2 52.1 -67.5 -40.1 12.5 10.2 50.8 118 118 A H H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.954 109.9 48.8 -60.2 -45.6 8.9 10.5 51.8 119 119 A S H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.911 108.9 52.8 -59.4 -40.5 9.2 7.4 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0.932 108.0 55.0 -68.6 -41.5 43.6 13.8 30.8 560 219 B A H ><5S+ 0 0 6 -4,-1.3 3,-2.1 1,-0.3 -2,-0.2 0.880 100.5 60.7 -58.1 -36.7 42.8 16.0 33.8 561 220 B E H 3<5S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.856 104.2 48.8 -60.6 -32.0 46.5 15.9 34.8 562 221 B R T <<5S- 0 0 63 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.266 121.7-110.8 -90.3 14.9 47.3 17.5 31.4 563 222 B E T < 5S+ 0 0 109 -3,-2.1 2,-0.3 1,-0.2 3,-0.3 0.810 79.3 127.3 60.9 34.1 44.6 20.1 32.1 564 223 B L < + 0 0 36 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.2 -0.896 62.6 13.8-121.9 151.3 42.4 18.6 29.3 565 224 B M S > S+ 0 0 0 -2,-0.3 4,-2.0 -167,-0.2 -1,-0.2 0.933 74.0 162.6 52.1 51.0 38.8 17.5 29.3 566 225 B E H > + 0 0 74 -3,-0.3 4,-1.9 2,-0.2 5,-0.1 0.752 66.6 55.6 -75.1 -27.1 38.4 19.3 32.7 567 226 B G H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 110.4 46.9 -66.9 -48.9 34.6 19.3 32.6 568 227 B N H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.935 109.8 55.7 -54.6 -46.9 34.6 15.5 32.2 569 228 B A H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.894 105.0 50.2 -54.0 -45.4 37.2 15.4 35.0 570 229 B K H X S+ 0 0 114 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.895 113.0 47.2 -61.5 -41.5 34.9 17.3 37.4 571 230 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 111.8 49.0 -66.3 -47.3 32.0 14.9 36.6 572 231 B I H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.868 106.4 57.7 -60.7 -32.9 34.2 11.8 37.0 573 232 B R H X S+ 0 0 97 -4,-2.2 4,-1.7 -5,-0.3 108,-0.2 0.929 109.4 44.9 -60.8 -41.4 35.5 13.2 40.3 574 233 B L H X S+ 0 0 33 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.885 112.8 51.6 -70.9 -38.5 31.8 13.3 41.6 575 234 B I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.932 108.3 50.4 -63.2 -45.2 31.1 9.9 40.2 576 235 B A H X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.841 105.4 57.2 -61.5 -34.4 34.2 8.4 41.9 577 236 B R H X S+ 0 0 60 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.2 0.914 111.3 43.3 -64.5 -38.7 33.0 9.9 45.2 578 237 B D H >X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 3,-0.6 0.921 108.9 57.0 -68.8 -42.1 29.7 8.0 44.8 579 238 B E H 3X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.854 98.5 61.7 -62.0 -29.9 31.4 4.8 43.7 580 239 B A H 3X S+ 0 0 13 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.913 107.5 44.6 -59.9 -41.4 33.5 4.8 46.9 581 240 B L H - 0 0 22 -7,-0.4 4,-1.6 -6,-0.2 3,-0.4 -0.815 57.3-154.6-154.6 111.5 23.0 -16.3 57.6 600 259 B P H > S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.849 97.4 55.0 -54.6 -38.1 25.0 -19.4 58.5 601 260 B E H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.890 104.4 54.1 -66.5 -38.9 24.2 -21.1 55.3 602 261 B M H > S+ 0 0 1 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.878 105.4 53.9 -61.2 -36.8 25.6 -18.1 53.3 603 262 B A H X S+ 0 0 21 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.883 108.9 47.9 -65.0 -40.7 28.8 -18.4 55.3 604 263 B E H X S+ 0 0 116 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.872 112.6 50.3 -65.7 -39.5 29.2 -22.1 54.3 605 264 B I H X S+ 0 0 5 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.913 107.0 52.8 -66.8 -39.7 28.4 -21.2 50.7 606 265 B A H < S+ 0 0 5 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.923 111.0 46.4 -62.3 -45.4 31.0 -18.4 50.6 607 266 B E H >< S+ 0 0 134 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.935 109.1 57.2 -63.5 -44.3 33.8 -20.7 51.8 608 267 B E H 3< S+ 0 0 127 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.842 112.3 39.3 -58.1 -36.9 32.7 -23.4 49.3 609 268 B C T 3X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.194 76.6 116.8-104.5 30.1 33.1 -21.1 46.4 610 269 B K H <> S+ 0 0 73 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.903 80.7 46.5 -59.0 -39.6 36.3 -19.3 47.4 611 270 B Q H > S+ 0 0 126 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.927 112.7 49.2 -70.0 -40.0 38.2 -20.7 44.4 612 271 B E H > S+ 0 0 92 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.957 112.6 48.7 -59.8 -50.5 35.4 -19.8 42.0 613 272 B C H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.868 110.2 52.0 -53.1 -51.2 35.3 -16.2 43.5 614 273 B Y H X S+ 0 0 59 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.941 110.4 46.8 -54.8 -49.5 39.0 -15.9 43.2 615 274 B D H X S+ 0 0 81 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.870 108.8 54.4 -68.0 -31.2 39.1 -16.9 39.5 616 275 B L H X S+ 0 0 23 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.1 49.6 -67.5 -37.8 36.2 -14.6 38.6 617 276 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 111.4 48.3 -64.3 -46.8 38.2 -11.6 40.2 618 277 B V H X S+ 0 0 40 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.904 110.4 52.6 -59.8 -39.1 41.3 -12.6 38.2 619 278 B Q H X S+ 0 0 117 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 107.8 50.1 -64.1 -41.5 39.1 -12.8 35.1 620 279 B A H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.933 111.3 50.2 -61.4 -42.1 37.7 -9.3 35.6 621 280 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.932 109.4 51.1 -59.5 -44.4 41.3 -8.1 36.0 622 281 B Q H X S+ 0 0 72 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.878 106.3 54.0 -63.6 -36.5 42.3 -9.8 32.8 623 282 B Q H X S+ 0 0 26 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.898 108.5 49.6 -66.1 -37.0 39.5 -8.2 30.8 624 283 B E H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.892 111.2 49.5 -68.8 -36.7 40.6 -4.8 32.0 625 284 B K H X S+ 0 0 36 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.939 109.5 51.6 -62.6 -47.0 44.2 -5.5 31.0 626 285 B D H X S+ 0 0 82 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.861 110.1 49.8 -58.8 -38.2 43.0 -6.8 27.6 627 286 B W H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.962 109.7 50.1 -65.0 -49.5 41.1 -3.6 27.1 628 287 B A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.874 109.0 52.9 -56.3 -39.7 44.1 -1.4 28.0 629 288 B D H < S+ 0 0 62 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.892 113.9 42.5 -63.0 -41.8 46.3 -3.3 25.6 630 289 B Y H >< S+ 0 0 81 -4,-1.7 3,-1.8 -3,-0.2 4,-0.4 0.959 113.3 50.3 -69.2 -51.6 43.8 -2.7 22.8 631 290 B L H 3< S+ 0 0 0 -4,-2.9 3,-0.2 1,-0.3 -1,-0.2 0.721 112.9 47.7 -57.7 -27.1 43.1 0.9 23.6 632 291 B F T 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -5,-0.3 10,-0.2 0.124 87.8 91.8-106.7 23.8 46.8 1.7 23.7 633 292 B R S < S+ 0 0 129 -3,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.837 79.4 53.8 -83.6 -41.7 47.7 -0.0 20.5 634 293 B D S S- 0 0 65 -4,-0.4 -1,-0.2 1,-0.3 -225,-0.2 0.396 138.4 -45.2 -75.2 5.5 47.3 2.9 18.1 635 294 B G - 0 0 26 -3,-0.1 -1,-0.3 -226,-0.1 -2,-0.2 -0.171 63.5 -94.4 133.3 132.5 49.7 4.6 20.5 636 295 B S - 0 0 61 -3,-0.2 5,-0.2 1,-0.1 -226,-0.1 -0.381 44.1-124.2 -67.8 146.6 50.2 5.0 24.2 637 296 B M - 0 0 5 3,-0.6 2,-0.7 1,-0.1 3,-0.4 -0.085 36.6 -79.2 -80.2-171.9 48.8 8.1 25.6 638 297 B I S S+ 0 0 99 1,-0.2 -1,-0.1 3,-0.0 -76,-0.1 -0.821 113.7 2.0 -98.8 113.4 50.7 10.7 27.6 639 298 B G S S+ 0 0 51 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.469 127.9 66.0 93.5 2.6 51.3 9.7 31.2 640 299 B L + 0 0 2 -3,-0.4 -3,-0.6 -82,-0.0 2,-0.3 -0.976 52.3 157.7-155.7 141.6 49.5 6.4 30.7 641 300 B N > - 0 0 43 -2,-0.3 4,-2.4 -5,-0.2 5,-0.2 -0.912 55.8 -85.6-154.1 172.5 50.3 3.3 28.6 642 301 B K H > S+ 0 0 69 -2,-0.3 4,-2.0 -10,-0.2 5,-0.1 0.831 123.5 49.3 -59.2 -31.2 49.3 -0.4 28.7 643 302 B D H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.1 46.6 -76.1 -39.0 52.0 -1.4 31.1 644 303 B I H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 115.6 49.2 -65.6 -42.6 51.3 1.3 33.7 645 304 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.894 108.1 51.6 -66.5 -38.9 47.6 0.5 33.4 646 305 B C H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.914 110.5 50.8 -61.2 -41.4 48.2 -3.3 33.9 647 306 B Q H X S+ 0 0 58 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 110.1 49.0 -61.2 -43.3 50.2 -2.5 37.0 648 307 B Y H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.914 108.4 53.1 -65.5 -38.6 47.3 -0.3 38.3 649 308 B V H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.919 111.5 46.7 -60.3 -43.3 44.8 -3.1 37.6 650 309 B E H X S+ 0 0 39 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.925 111.6 51.1 -66.3 -39.1 47.0 -5.4 39.6 651 310 B Y H X S+ 0 0 62 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.963 115.5 39.6 -61.5 -52.5 47.4 -3.0 42.5 652 311 B I H X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.882 112.1 56.7 -70.6 -34.8 43.7 -2.2 42.9 653 312 B T H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.945 107.1 49.9 -59.5 -43.8 42.6 -5.8 42.4 654 313 B N H X S+ 0 0 10 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.940 112.6 47.4 -59.8 -44.4 44.9 -7.0 45.3 655 314 B I H X S+ 0 0 61 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.945 114.6 45.1 -64.0 -46.9 43.5 -4.3 47.6 656 315 B R H X S+ 0 0 55 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.883 113.0 49.7 -67.4 -39.0 39.9 -5.1 46.7 657 316 B M H ><>S+ 0 0 0 -4,-2.9 5,-2.7 -5,-0.3 3,-1.0 0.912 109.4 51.6 -66.4 -40.8 40.3 -8.8 47.0 658 317 B Q H ><5S+ 0 0 130 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 0.878 102.7 61.6 -60.5 -37.1 42.0 -8.5 50.4 659 318 B A H 3<5S+ 0 0 31 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.726 109.7 39.8 -63.3 -22.6 39.1 -6.3 51.6 660 319 B V T <<5S- 0 0 3 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.135 124.4 -99.1-113.6 20.4 36.6 -9.2 51.0 661 320 B G T < 5S+ 0 0 26 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.617 75.2 137.4 78.9 19.9 38.9 -11.9 52.3 662 321 B L < - 0 0 11 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.636 58.1-100.7 -96.5 153.5 40.3 -13.3 49.1 663 322 B D - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 -6,-0.0 -0.295 42.0-103.5 -67.6 155.3 44.0 -14.3 48.5 664 323 B L - 0 0 57 1,-0.1 -1,-0.1 -7,-0.1 -10,-0.1 -0.713 27.8-168.1 -84.9 121.2 46.1 -11.8 46.5 665 324 B P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.712 64.8 59.8 -81.9 -14.9 46.7 -12.9 42.9 666 325 B F S S- 0 0 39 -16,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.777 91.7 -92.5-120.0 157.0 49.4 -10.4 42.1 667 326 B Q - 0 0 164 -2,-0.3 2,-0.3 1,-0.1 -13,-0.1 -0.325 53.2-112.4 -57.0 136.7 52.9 -9.4 43.2 668 327 B T + 0 0 104 -4,-0.1 2,-0.3 -14,-0.1 -1,-0.1 -0.583 49.5 155.6 -79.4 136.6 52.5 -6.6 45.9 669 328 B R - 0 0 105 -2,-0.3 2,-0.1 -22,-0.1 -3,-0.0 -0.938 44.1 -99.7-148.4 165.3 53.7 -3.1 44.9 670 329 B S - 0 0 93 -2,-0.3 -19,-0.1 1,-0.2 0, 0.0 -0.460 67.4 -61.3 -84.1 170.4 52.9 0.3 45.9 671 330 B N - 0 0 18 1,-0.2 -1,-0.2 -2,-0.1 -23,-0.1 -0.277 42.4-154.3 -51.6 123.5 50.5 2.4 43.8 672 331 B P S S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.682 91.3 37.8 -75.9 -15.6 52.0 2.9 40.3 673 332 B I > + 0 0 2 1,-0.1 3,-2.8 -26,-0.1 4,-0.3 -0.434 62.5 164.0-134.1 64.9 50.1 6.1 39.8 674 333 B P G > + 0 0 73 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.770 69.0 76.3 -52.6 -25.0 49.9 8.0 43.1 675 334 B W G > S+ 0 0 65 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.761 81.4 71.0 -58.8 -19.6 48.9 11.1 41.2 676 335 B I G X> S+ 0 0 0 -3,-2.8 3,-1.6 1,-0.3 4,-1.2 0.800 79.6 72.5 -71.1 -23.6 45.4 9.6 40.9 677 336 B N G <4 S+ 0 0 94 -3,-1.8 -1,-0.3 -4,-0.3 5,-0.2 0.738 84.3 69.6 -61.4 -20.2 44.8 10.1 44.6 678 337 B T G <4 S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.835 108.4 36.4 -62.8 -32.3 44.5 13.8 43.8 679 338 B W T <4 S+ 0 0 44 -3,-1.6 2,-1.2 -4,-0.4 -1,-0.2 0.633 99.7 77.2 -98.1 -19.8 41.2 12.9 42.0 680 339 B L < - 0 0 23 -4,-1.2 2,-2.1 1,-0.1 -1,-0.2 -0.787 60.9-173.1 -96.3 89.7 39.9 10.2 44.2 681 340 B V 0 0 69 -2,-1.2 -1,-0.1 -108,-0.2 -3,-0.1 -0.399 360.0 360.0 -81.6 57.3 38.6 12.4 47.0 682 341 B S 0 0 99 -2,-2.1 -2,-0.1 -5,-0.2 -105,-0.0 -0.927 360.0 360.0-158.2 360.0 37.8 9.2 49.1