==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-AUG-96 1XIK . COMPND 2 MOLECULE: PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.T.LOGAN,X.-D.SU,A.ABERG,K.REGNSTROM,J.HAJDU,H.EKLUND, . 681 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23867.0 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 . 3 0.4 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 390 57.3 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 2 1 0 4 0 0 2 0 2 0 0 0 4 0 2 0 2 0 0 0 1 0 1 3 1 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 2.8 13.8 -14.3 29.0 2 2 A Y - 0 0 20 497,-0.1 2,-0.4 163,-0.1 501,-0.1 -0.675 360.0-172.5 -86.8 145.1 14.5 -11.2 30.9 3 3 A T - 0 0 31 -2,-0.3 3,-0.4 94,-0.1 493,-0.1 -0.997 30.1-144.4-140.6 139.2 18.0 -9.7 30.5 4 4 A T S S+ 0 0 0 -2,-0.4 2,-0.2 491,-0.3 427,-0.1 0.580 102.2 24.6 -71.8 -10.6 19.7 -6.9 32.3 5 5 A F S S- 0 0 5 490,-0.1 -1,-0.3 -3,-0.0 19,-0.2 -0.608 81.0-149.5-155.8 90.1 21.4 -6.0 29.0 6 6 A S - 0 0 8 -3,-0.4 19,-0.1 17,-0.3 -4,-0.0 -0.354 8.0-147.0 -62.9 132.7 19.7 -7.1 25.7 7 7 A Q + 0 0 95 -2,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.456 64.8 98.6 -85.5 1.0 22.2 -7.8 23.0 8 8 A T S S- 0 0 89 1,-0.0 2,-1.0 475,-0.0 16,-0.1 -0.731 75.8-127.1 -91.8 138.2 20.4 -6.7 20.0 9 9 A K + 0 0 118 -2,-0.4 2,-0.3 15,-0.1 -2,-0.1 -0.736 44.8 175.3 -80.2 105.8 21.1 -3.2 18.7 10 10 A N - 0 0 19 -2,-1.0 2,-1.0 11,-0.0 14,-0.1 -0.860 39.6-113.4-116.8 150.4 17.5 -1.9 18.6 11 11 A D > - 0 0 69 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.740 26.3-161.3 -84.5 106.5 16.1 1.5 17.8 12 12 A Q G > S+ 0 0 11 -2,-1.0 3,-0.8 1,-0.3 -1,-0.2 0.679 83.1 70.1 -62.9 -19.0 14.8 2.6 21.1 13 13 A L G 3 S+ 0 0 60 1,-0.2 -1,-0.3 18,-0.1 -2,-0.0 0.677 102.0 46.4 -70.7 -16.9 12.6 5.3 19.5 14 14 A K G < S+ 0 0 163 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.379 86.4 103.4-109.9 5.9 10.5 2.6 18.0 15 15 A E S < S- 0 0 30 -3,-0.8 2,-0.1 -4,-0.2 4,-0.1 -0.522 75.4-111.8 -82.6 159.6 9.9 0.3 21.0 16 16 A P - 0 0 33 0, 0.0 4,-0.3 0, 0.0 84,-0.2 -0.431 31.5-109.7 -77.4 164.1 6.6 0.4 22.8 17 17 A M S S+ 0 0 0 -2,-0.1 83,-2.5 82,-0.1 84,-0.6 0.891 101.5 26.4 -62.4 -39.9 6.7 1.8 26.3 18 18 A F B S+A 99 0A 4 81,-0.3 81,-0.2 82,-0.2 -1,-0.1 -0.930 118.4 17.6-128.9 155.0 6.1 -1.8 27.6 19 19 A F S S+ 0 0 23 79,-2.4 80,-0.1 -2,-0.3 -1,-0.1 0.425 89.8 116.0 69.7 6.0 6.7 -5.4 26.5 20 20 A G S S- 0 0 22 78,-0.4 -1,-0.2 -4,-0.3 81,-0.1 0.056 85.0 -49.2 -84.3-163.7 9.3 -4.4 23.8 21 21 A Q S S- 0 0 38 79,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.525 74.8 -98.2 -70.6 137.7 12.9 -5.5 24.0 22 22 A P - 0 0 27 0, 0.0 -16,-0.2 0, 0.0 78,-0.2 -0.225 48.5 -93.4 -57.7 145.9 14.3 -4.7 27.5 23 23 A V + 0 0 2 76,-0.8 -17,-0.3 1,-0.2 3,-0.1 -0.423 46.4 173.3 -61.7 133.2 16.3 -1.5 27.6 24 24 A N + 0 0 3 1,-0.4 2,-0.3 -19,-0.2 -1,-0.2 0.716 62.0 39.6-103.4 -76.0 20.0 -2.0 27.1 25 25 A V - 0 0 3 -19,-0.1 2,-0.9 453,-0.1 -1,-0.4 -0.581 69.2-144.7 -81.2 134.3 21.7 1.4 26.9 26 26 A A + 0 0 3 -2,-0.3 2,-0.3 396,-0.3 438,-0.1 -0.843 37.8 154.2 -94.8 101.3 20.5 4.3 29.1 27 27 A R - 0 0 9 -2,-0.9 434,-0.1 3,-0.1 3,-0.1 -0.935 30.0-168.4-126.8 150.2 20.9 7.4 27.0 28 28 A Y + 0 0 6 -2,-0.3 3,-0.1 432,-0.2 -2,-0.0 -0.002 60.7 100.2-127.1 27.0 18.9 10.6 27.4 29 29 A D S S+ 0 0 26 1,-0.2 2,-0.3 445,-0.0 -1,-0.1 0.620 92.4 17.3 -89.3 -16.6 19.8 12.4 24.1 30 30 A Q - 0 0 51 -3,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.959 69.7-160.8-148.8 156.8 16.5 11.6 22.3 31 31 A Q - 0 0 48 -2,-0.3 3,-0.3 1,-0.2 -18,-0.1 -0.988 25.7-148.9-144.7 145.8 13.2 10.3 23.6 32 32 A K S S+ 0 0 58 -2,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.919 108.4 24.4 -76.0 -47.1 10.2 8.6 22.0 33 33 A Y S >> S- 0 0 29 1,-0.1 3,-1.3 -3,-0.1 4,-0.7 -0.885 70.2-168.5-121.4 105.0 8.2 10.5 24.6 34 34 A D H 3> S+ 0 0 91 -2,-0.6 4,-2.4 -3,-0.3 5,-0.2 0.745 77.7 79.3 -65.7 -17.4 9.8 13.6 25.9 35 35 A I H 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.884 91.0 53.4 -57.6 -37.5 7.3 14.0 28.7 36 36 A F H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.927 108.1 49.0 -64.7 -37.9 9.2 11.3 30.7 37 37 A E H X S+ 0 0 15 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.901 110.6 52.2 -66.1 -41.7 12.5 13.2 30.3 38 38 A K H X S+ 0 0 115 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.924 108.7 49.2 -63.4 -38.9 10.8 16.3 31.5 39 39 A L H X S+ 0 0 7 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.920 108.8 53.1 -68.2 -40.8 9.4 14.6 34.5 40 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.976 111.0 47.3 -55.5 -49.8 12.8 13.2 35.4 41 41 A E H X S+ 0 0 103 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.908 114.1 46.6 -57.4 -46.4 14.3 16.8 35.2 42 42 A K H X S+ 0 0 124 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.932 112.6 49.0 -64.2 -46.2 11.6 18.3 37.3 43 43 A Q H >< S+ 0 0 8 -4,-2.9 3,-0.8 -5,-0.2 4,-0.2 0.934 112.2 47.4 -60.3 -45.6 11.7 15.6 39.9 44 44 A L H >< S+ 0 0 10 -4,-2.8 3,-1.7 -5,-0.3 -1,-0.2 0.906 108.7 57.3 -61.8 -37.5 15.5 15.9 40.2 45 45 A S H 3< S+ 0 0 68 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.757 105.0 52.1 -65.3 -21.1 15.1 19.7 40.4 46 46 A F T << S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.373 76.4 144.2 -94.7 2.7 12.9 19.2 43.4 47 47 A F < + 0 0 52 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.1 -0.137 21.4 164.7 -44.8 128.0 15.3 17.0 45.4 48 48 A W - 0 0 22 185,-0.0 -2,-0.1 4,-0.0 -1,-0.0 -0.953 31.6-132.4-144.1 163.0 15.0 17.8 49.1 49 49 A R >> - 0 0 40 -2,-0.3 3,-1.5 1,-0.2 4,-0.7 -0.972 7.7-147.0-125.6 124.7 16.0 16.1 52.3 50 50 A P G >4 S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.896 96.6 60.9 -48.4 -56.5 13.7 15.7 55.3 51 51 A E G 34 S+ 0 0 66 1,-0.3 4,-0.1 3,-0.1 70,-0.0 0.756 95.1 65.9 -47.8 -25.9 16.2 16.0 58.0 52 52 A E G <4 S+ 0 0 151 -3,-1.5 -1,-0.3 2,-0.1 2,-0.2 0.948 87.7 87.8 -64.6 -40.0 16.8 19.5 56.6 53 53 A V S << S- 0 0 25 -3,-2.1 2,-0.7 -4,-0.7 173,-0.1 -0.325 79.1-133.1 -67.9 126.9 13.3 20.3 57.7 54 54 A D + 0 0 103 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.721 35.1 161.1 -84.6 113.1 12.7 21.5 61.3 55 55 A V >> + 0 0 2 -2,-0.7 3,-0.7 1,-0.1 4,-0.6 0.014 34.9 122.1-115.7 17.3 9.9 19.7 63.0 56 56 A S H >> S+ 0 0 67 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.924 76.6 43.7 -48.8 -54.7 11.1 20.8 66.5 57 57 A R H 3> S+ 0 0 120 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.688 94.5 78.1 -66.9 -21.8 7.8 22.5 67.5 58 58 A D H <> S+ 0 0 5 -3,-0.7 4,-2.2 1,-0.2 -1,-0.3 0.788 89.1 59.9 -60.9 -22.7 5.7 19.8 66.0 59 59 A R H X S+ 0 0 94 -4,-0.6 4,-2.0 -3,-0.2 3,-0.6 0.998 115.2 47.5 -60.1 -64.0 4.9 20.6 71.3 61 61 A D H 3X S+ 0 0 17 -4,-2.2 4,-1.2 1,-0.3 -2,-0.2 0.872 112.7 49.1 -43.9 -48.7 1.9 21.0 69.1 62 62 A Y H 3< S+ 0 0 31 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.3 0.896 109.6 50.9 -63.8 -38.7 1.2 17.3 68.9 63 63 A Q H << S+ 0 0 137 -4,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.835 109.4 51.9 -65.5 -34.1 1.5 16.9 72.7 64 64 A A H < S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.673 90.2 111.1 -73.1 -22.9 -1.0 19.8 73.1 65 65 A L S < S- 0 0 9 -4,-1.2 2,-0.2 -3,-0.4 -3,-0.0 -0.194 77.6-111.1 -57.3 142.1 -3.4 18.0 70.7 66 66 A P >> - 0 0 55 0, 0.0 3,-2.6 0, 0.0 4,-2.3 -0.535 37.1-110.5 -72.0 140.5 -6.7 16.4 72.0 67 67 A E H 3> S+ 0 0 140 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.736 118.7 52.3 -42.0 -36.5 -6.4 12.7 71.8 68 68 A H H 3> S+ 0 0 48 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.778 110.9 49.6 -75.8 -21.7 -8.9 12.3 69.1 69 69 A E H <> S+ 0 0 24 -3,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.894 110.3 49.0 -79.2 -39.6 -6.8 14.9 67.2 70 70 A K H X S+ 0 0 31 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.939 111.3 51.8 -62.9 -43.6 -3.6 13.0 67.9 71 71 A H H X S+ 0 0 40 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.857 110.5 47.4 -61.3 -35.3 -5.4 9.8 66.7 72 72 A I H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.3 0.978 112.9 48.0 -69.2 -54.5 -6.5 11.4 63.5 73 73 A F H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.938 116.4 42.9 -48.8 -56.1 -3.0 12.8 62.8 74 74 A I H X S+ 0 0 14 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.879 110.5 53.5 -59.6 -47.9 -1.2 9.6 63.5 75 75 A S H X S+ 0 0 3 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.913 111.0 49.6 -57.2 -40.5 -3.7 7.4 61.6 76 76 A N H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.930 110.4 48.8 -66.1 -41.7 -3.2 9.6 58.7 77 77 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.916 107.2 55.0 -65.9 -39.3 0.5 9.4 58.9 78 78 A K H X S+ 0 0 20 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.883 108.5 49.5 -60.9 -36.3 0.4 5.6 59.2 79 79 A Y H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.937 109.4 51.1 -67.5 -44.4 -1.6 5.5 56.0 80 80 A Q H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.929 109.5 51.9 -56.5 -43.6 0.9 7.8 54.2 81 81 A T H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 286,-0.3 0.939 109.8 49.6 -59.1 -45.8 3.8 5.5 55.5 82 82 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.953 111.4 46.8 -59.3 -54.0 2.0 2.5 54.0 83 83 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.891 116.7 42.3 -58.9 -43.1 1.4 4.0 50.6 84 84 A D H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.850 108.9 60.9 -77.6 -25.4 5.0 5.3 50.2 85 85 A S H X S+ 0 0 2 -4,-2.6 4,-0.9 -5,-0.3 -2,-0.2 0.929 114.0 36.3 -59.3 -43.6 6.3 2.0 51.6 86 86 A I H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 3,-0.2 0.861 115.7 52.1 -75.0 -39.8 4.7 0.3 48.7 87 87 A Q H < S+ 0 0 0 -4,-2.3 28,-0.2 -5,-0.2 -1,-0.2 0.635 101.6 63.6 -75.0 -14.8 5.3 2.9 46.1 88 88 A G H < S+ 0 0 3 -4,-1.4 -1,-0.2 27,-0.2 4,-0.2 0.903 120.5 19.0 -75.9 -39.7 9.0 2.9 47.0 89 89 A R H X S+ 0 0 1 -4,-0.9 4,-2.7 -3,-0.2 5,-0.2 0.797 113.0 69.9 -97.7 -35.6 9.5 -0.7 45.9 90 90 A S H X>S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.6 0.880 92.2 52.1 -54.8 -50.1 6.6 -1.5 43.6 91 91 A P H >>S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-1.0 0.916 115.8 45.6 -58.3 -35.4 7.2 0.5 40.5 92 92 A N H >5S+ 0 0 2 -4,-0.2 4,-0.7 -3,-0.2 -2,-0.2 0.950 117.8 39.8 -74.3 -47.2 10.6 -1.0 40.4 93 93 A V H <5S+ 0 0 14 -4,-2.7 -3,-0.2 1,-0.1 -1,-0.2 0.912 126.6 34.4 -68.8 -38.4 9.7 -4.5 41.0 94 94 A A H <5S+ 0 0 1 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.1 0.859 128.0 29.1 -82.9 -38.9 6.5 -4.5 38.9 95 95 A L H >X< S- 0 0 0 -84,-0.6 4,-2.0 1,-0.1 3,-0.3 -0.992 72.0-137.6-129.1 135.1 12.2 2.7 26.4 102 102 A P H > S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.857 99.4 56.8 -61.1 -38.3 15.0 4.3 28.5 103 103 A E H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 112.1 42.4 -63.1 -36.4 13.3 7.5 29.4 104 104 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.867 111.8 56.6 -77.5 -35.5 10.4 5.7 31.0 105 105 A E H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.968 112.0 40.1 -60.9 -47.3 12.8 3.2 32.6 106 106 A T H X S+ 0 0 1 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.900 110.7 58.9 -69.9 -35.0 14.7 6.0 34.4 107 107 A W H X S+ 0 0 0 -4,-1.8 4,-4.0 -5,-0.3 5,-0.3 0.958 106.3 48.7 -55.9 -47.2 11.5 7.9 35.2 108 108 A V H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.923 111.7 48.6 -60.0 -43.2 10.2 4.9 37.1 109 109 A E H X S+ 0 0 5 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.893 114.7 45.3 -64.8 -38.0 13.4 4.6 39.0 110 110 A T H X S+ 0 0 2 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.958 113.7 50.0 -70.8 -45.1 13.4 8.3 39.8 111 111 A W H X S+ 0 0 2 -4,-4.0 4,-1.5 -5,-0.2 -2,-0.2 0.961 113.1 45.6 -56.2 -54.0 9.7 8.2 40.8 112 112 A A H X S+ 0 0 0 -4,-3.3 4,-1.3 -5,-0.3 3,-0.3 0.919 111.3 53.2 -57.1 -42.2 10.3 5.2 43.0 113 113 A F H >X S+ 0 0 10 -4,-2.1 4,-1.4 -5,-0.3 3,-0.8 0.940 104.3 55.2 -61.9 -41.6 13.4 6.8 44.5 114 114 A S H 3X S+ 0 0 6 -4,-2.9 4,-1.7 1,-0.3 -1,-0.2 0.874 101.6 59.0 -61.0 -28.8 11.5 9.9 45.4 115 115 A E H 3X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.3 -1,-0.3 0.854 100.1 56.4 -68.3 -30.9 8.9 7.8 47.3 116 116 A T H < S+ 0 0 0 -4,-2.8 3,-0.8 -5,-0.2 4,-0.3 0.985 114.6 46.9 -65.4 -53.2 8.4 13.2 61.6 126 126 A I H >X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.3 3,-2.4 0.939 109.7 50.9 -56.2 -52.0 7.5 10.3 63.8 127 127 A R H 3< S+ 0 0 137 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.813 109.7 54.7 -61.2 -19.5 10.7 10.0 65.7 128 128 A N T << S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.441 117.9 30.6 -92.5 2.9 10.4 13.7 66.4 129 129 A I T <4 S+ 0 0 8 -3,-2.4 -2,-0.2 -4,-0.3 2,-0.2 0.674 112.5 52.8-130.8 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79 B Y H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.917 111.1 49.8 -67.8 -41.5 32.3 1.2 28.8 421 80 B Q H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.953 109.7 52.1 -59.7 -47.9 31.3 3.5 31.7 422 81 B T H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -396,-0.3 0.933 110.6 48.7 -54.0 -43.7 28.0 4.1 29.9 423 82 B L H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.947 110.8 48.5 -62.9 -50.8 27.5 0.3 29.8 424 83 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.937 114.7 44.7 -56.9 -49.4 28.3 -0.4 33.4 425 84 B D H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.811 108.8 58.2 -68.6 -25.2 26.0 2.4 34.6 426 85 B S H X S+ 0 0 3 -4,-2.1 4,-1.1 -5,-0.3 3,-0.5 0.967 113.3 40.1 -63.5 -51.1 23.2 1.2 32.2 427 86 B I H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 3,-0.2 0.884 116.4 48.6 -62.4 -42.8 23.3 -2.1 33.9 428 87 B Q H < S+ 0 0 0 -4,-2.4 28,-0.2 -5,-0.2 -1,-0.2 0.614 101.1 64.3 -78.0 -14.0 23.7 -0.9 37.4 429 88 B G H < S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.5 4,-0.2 0.884 121.6 18.4 -75.1 -36.9 20.9 1.6 37.1 430 89 B R H X S+ 0 0 1 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0.837 100.3 56.2 -66.8 -30.7 23.8 5.1 38.9 457 116 B T H X S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 4,-0.6 0.983 116.2 46.5 -61.5 -58.2 29.3 14.6 28.2 467 126 B I H >X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.3 3,-1.5 0.881 109.1 53.7 -51.2 -47.7 28.6 12.9 24.9 468 127 B R H 3< S+ 0 0 116 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.799 110.1 51.5 -59.0 -31.5 26.2 15.5 23.7 469 128 B N H << S+ 0 0 51 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.542 115.2 35.1 -88.3 -0.9 28.8 18.1 24.4 470 129 B I H << S+ 0 0 1 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.616 110.6 54.1-123.0 -17.5 31.8 16.6 22.5 471 130 B V S < S- 0 0 25 -4,-1.9 -1,-0.1 -5,-0.2 -71,-0.0 -0.793 70.8-133.1-116.1 159.2 30.3 14.9 19.4 472 131 B N S S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.3 -4,-0.0 0.898 101.0 23.9 -76.0 -36.4 28.0 16.2 16.7 473 132 B D >> - 0 0 85 1,-0.1 3,-2.4 -3,-0.0 4,-0.6 -0.905 65.4-161.5-132.4 100.9 25.7 13.3 16.8 474 133 B P H 3> S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.751 84.4 76.6 -53.2 -24.4 25.5 11.3 20.0 475 134 B S H 3> S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.815 84.8 64.2 -59.8 -27.8 24.0 8.3 18.2 476 135 B V H <4 S+ 0 0 102 -3,-2.4 -1,-0.2 2,-0.2 4,-0.2 0.980 110.8 35.5 -61.7 -45.4 27.3 7.6 16.8 477 136 B V H >< S+ 0 0 8 -4,-0.6 3,-1.9 -3,-0.3 4,-0.5 0.983 121.3 43.5 -69.2 -56.6 28.5 6.8 20.3 478 137 B F H >X S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.3 4,-0.6 0.866 107.5 60.2 -59.6 -33.7 25.4 5.2 21.8 479 138 B D T 3< S+ 0 0 53 -4,-2.7 -1,-0.3 -5,-0.3 4,-0.2 0.495 103.7 52.9 -75.2 3.2 24.6 3.2 18.8 480 139 B D T <> S+ 0 0 52 -3,-1.9 4,-1.1 -4,-0.2 -1,-0.2 0.397 87.9 75.4-114.1 -3.5 28.0 1.4 19.1 481 140 B I T <4 S+ 0 0 1 -3,-1.0 3,-0.2 -4,-0.5 -2,-0.1 0.959 90.3 54.8 -75.2 -45.2 28.0 0.2 22.7 482 141 B V T < S+ 0 0 5 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.863 123.5 23.3 -54.9 -45.0 25.6 -2.7 22.4 483 142 B T T 4 S+ 0 0 63 -4,-0.2 -1,-0.2 -475,-0.0 2,-0.2 0.476 83.9 128.0-106.3 -2.6 27.4 -4.4 19.6 484 143 B N X - 0 0 26 -4,-1.1 4,-2.6 1,-0.2 5,-0.3 -0.353 51.3-149.4 -56.8 118.2 31.0 -3.1 20.1 485 144 B E H > S+ 0 0 113 1,-0.2 4,-1.6 -2,-0.2 -1,-0.2 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286 B W H >X S+ 0 0 5 -4,-1.3 4,-2.4 -5,-0.3 3,-0.5 0.986 106.9 47.6 -69.2 -59.1 41.0 -4.2 27.2 628 287 B A H 3X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.827 106.7 62.0 -50.3 -32.3 44.0 -2.1 27.9 629 288 B D H 3< S+ 0 0 95 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.965 111.2 35.5 -61.0 -51.9 45.9 -4.3 25.5 630 289 B Y H X< S+ 0 0 100 -4,-1.5 3,-2.6 -3,-0.5 4,-0.5 0.985 112.4 61.7 -60.5 -61.1 43.7 -3.4 22.6 631 290 B L H 3< S+ 0 0 1 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.759 110.2 38.4 -29.3 -52.2 43.2 0.2 23.7 632 291 B F T 3< S+ 0 0 1 -4,-1.8 3,-0.5 -5,-0.2 -1,-0.3 0.418 92.1 89.1 -92.2 3.3 46.9 1.0 23.4 633 292 B R S < S+ 0 0 117 -3,-2.6 -1,-0.2 -4,-0.5 -2,-0.1 0.746 89.4 45.6 -71.6 -30.2 47.8 -1.0 20.2 634 293 B D S S- 0 0 91 -4,-0.5 -1,-0.2 -3,-0.4 -225,-0.1 0.450 140.6 -40.7 -91.8 -0.7 47.1 1.7 17.6 635 294 B G - 0 0 22 -3,-0.5 2,-0.5 -226,-0.1 -1,-0.3 -0.205 60.6-109.2 142.6 129.8 49.0 4.1 20.0 636 295 B S - 0 0 45 -4,-0.1 3,-0.1 -3,-0.1 5,-0.1 -0.667 33.2-118.3 -88.2 125.7 49.4 4.8 23.8 637 296 B M - 0 0 6 -2,-0.5 2,-1.0 1,-0.2 3,-0.5 0.228 42.5 -82.8 -41.1 166.4 48.0 8.1 25.5 638 297 B I S S+ 0 0 93 1,-0.2 -1,-0.2 3,-0.0 -76,-0.1 -0.660 112.6 4.2 -86.1 103.7 50.3 10.6 27.2 639 298 B G S S+ 0 0 62 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.264 122.0 66.5 112.7 -13.6 51.0 9.4 30.8 640 299 B L + 0 0 2 -3,-0.5 2,-0.3 4,-0.0 -1,-0.2 -0.993 53.4 165.5-140.7 145.3 49.3 6.0 30.7 641 300 B N > - 0 0 43 -2,-0.3 4,-2.6 -5,-0.1 5,-0.2 -0.921 53.4 -86.5-150.7 170.2 50.1 2.9 28.7 642 301 B K H > S+ 0 0 55 -2,-0.3 4,-3.6 1,-0.2 5,-0.2 0.881 122.2 52.7 -49.3 -45.4 49.1 -0.8 28.7 643 302 B D H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 110.5 40.7 -63.3 -47.8 51.8 -1.6 31.2 644 303 B I H > S+ 0 0 56 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 117.8 52.5 -66.3 -41.7 51.2 0.9 33.9 645 304 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.942 107.2 50.1 -59.7 -48.5 47.5 0.2 33.4 646 305 B C H X S+ 0 0 34 -4,-3.6 4,-2.2 -5,-0.2 -1,-0.2 0.900 110.8 50.3 -58.4 -37.6 48.0 -3.5 33.8 647 306 B Q H X S+ 0 0 60 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.909 107.5 53.5 -67.1 -39.7 49.9 -3.0 37.0 648 307 B Y H X S+ 0 0 5 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.943 106.9 52.8 -59.5 -44.7 47.2 -0.7 38.4 649 308 B V H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.959 111.5 45.2 -57.0 -46.3 44.7 -3.5 37.7 650 309 B E H X S+ 0 0 28 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.928 112.2 53.0 -63.0 -40.4 46.8 -6.0 39.6 651 310 B Y H X S+ 0 0 56 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.942 115.6 36.9 -61.9 -51.8 47.3 -3.5 42.4 652 311 B I H X S+ 0 0 3 -4,-3.2 4,-3.4 1,-0.2 5,-0.3 0.921 113.0 58.5 -71.4 -36.0 43.6 -2.7 43.0 653 312 B T H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.4 5,-0.3 0.917 105.4 49.8 -55.7 -43.0 42.5 -6.3 42.4 654 313 B N H X S+ 0 0 10 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.947 112.9 46.0 -62.9 -43.8 44.7 -7.5 45.1 655 314 B I H X S+ 0 0 72 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.948 115.2 46.2 -64.0 -45.8 43.4 -4.9 47.5 656 315 B R H X S+ 0 0 36 -4,-3.4 4,-0.9 2,-0.2 -2,-0.2 0.927 111.8 50.8 -63.1 -46.6 39.7 -5.6 46.6 657 316 B M H ><>S+ 0 0 0 -4,-3.0 5,-2.9 -5,-0.3 3,-0.7 0.898 109.8 50.1 -60.0 -40.0 40.1 -9.4 46.8 658 317 B Q H ><5S+ 0 0 127 -4,-2.0 3,-2.2 -5,-0.3 -1,-0.2 0.931 101.1 64.0 -64.3 -42.3 41.7 -9.3 50.2 659 318 B A H 3<5S+ 0 0 34 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.753 109.4 39.0 -54.5 -26.7 38.9 -7.0 51.5 660 319 B V T <<5S- 0 0 3 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 -0.027 126.3 -95.5-114.5 28.7 36.2 -9.8 50.9 661 320 B G T < 5S+ 0 0 19 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.747 77.3 134.7 70.2 29.2 38.5 -12.7 52.0 662 321 B L < - 0 0 8 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.808 59.9 -99.0-107.1 153.9 40.0 -14.0 48.8 663 322 B D - 0 0 123 -2,-0.3 -1,-0.1 1,-0.1 -6,-0.0 -0.322 43.0-102.8 -66.5 147.6 43.6 -14.9 48.2 664 323 B L - 0 0 63 1,-0.2 -1,-0.1 -7,-0.1 -10,-0.1 -0.504 30.5-164.2 -71.9 131.2 45.7 -12.4 46.5 665 324 B P + 0 0 29 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.709 63.1 44.0 -91.1 -19.9 46.2 -13.4 42.9 666 325 B F S S- 0 0 44 -16,-0.2 2,-0.3 1,-0.1 3,-0.0 -0.613 94.8 -70.3-120.3-179.0 49.1 -11.2 42.0 667 326 B Q - 0 0 148 -2,-0.2 2,-0.2 1,-0.1 -13,-0.1 -0.535 51.7-113.4 -75.1 128.4 52.4 -9.8 43.2 668 327 B T + 0 0 119 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.393 52.4 153.8 -59.8 124.1 52.2 -7.3 46.0 669 328 B R - 0 0 92 -2,-0.2 2,-0.2 -18,-0.1 -3,-0.0 -0.916 43.6-103.7-148.9 167.6 53.3 -3.8 44.8 670 329 B S - 0 0 92 -2,-0.3 -19,-0.1 1,-0.2 0, 0.0 -0.470 63.7 -65.5 -90.8 169.2 52.7 -0.2 45.8 671 330 B N - 0 0 22 -2,-0.2 -1,-0.2 1,-0.2 -23,-0.1 -0.365 41.5-154.3 -60.0 130.1 50.3 1.9 43.8 672 331 B P S S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.664 89.5 36.5 -77.7 -18.5 51.8 2.4 40.3 673 332 B I > + 0 0 2 1,-0.1 3,-3.2 -29,-0.1 4,-0.4 -0.443 62.3 165.1-134.4 62.0 49.9 5.7 39.7 674 333 B P G > S+ 0 0 78 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.718 70.3 74.8 -51.6 -21.1 49.8 7.5 43.0 675 334 B W G > S+ 0 0 67 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.738 79.0 75.9 -65.4 -19.6 48.7 10.6 41.1 676 335 B I G X> S+ 0 0 0 -3,-3.2 3,-2.9 1,-0.3 4,-1.3 0.915 79.2 73.1 -59.7 -35.8 45.3 9.0 40.7 677 336 B N G <4 S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.733 82.2 66.4 -52.5 -20.8 44.7 9.9 44.3 678 337 B T G <4 S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.760 109.6 39.4 -70.5 -22.2 44.2 13.5 43.6 679 338 B W T <4 S+ 0 0 42 -3,-2.9 2,-1.2 -4,-0.3 -2,-0.2 0.626 101.9 72.7-100.0 -23.9 41.1 12.6 41.7 680 339 B L < - 0 0 19 -4,-1.3 -1,-0.2 1,-0.2 -107,-0.1 -0.714 59.2-179.2 -98.3 87.6 39.8 9.9 44.0 681 340 B V 0 0 77 -2,-1.2 -1,-0.2 -108,-0.2 -4,-0.1 0.579 360.0 360.0 -59.1 -11.7 38.6 12.1 46.9 682 341 B S 0 0 90 -3,-0.1 -2,-0.1 0, 0.0 -105,-0.0 -0.537 360.0 360.0 -95.2 360.0 37.6 8.9 48.7