==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-97 1AV8 . COMPND 2 MOLECULE: RIBONUCLEOTIDE REDUCTASE R2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HAN,A.ARVAI,J.A.TAINER . 680 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 77.4 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 . 21 3.1 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 . 15 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 402 59.1 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 0 0 1 0 2 2 1 0 1 2 0 0 0 2 0 2 0 0 1 0 1 0 2 2 2 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 . 5 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 88 0, 0.0 2,-0.5 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 -17.2 23.5 33.9 6.3 2 2 A Y + 0 0 28 497,-0.1 2,-0.4 166,-0.1 501,-0.1 -0.907 360.0 178.4-103.8 129.3 24.5 37.3 7.7 3 3 A T - 0 0 32 -2,-0.5 3,-0.4 94,-0.1 493,-0.1 -0.980 34.4-140.1-130.5 141.3 27.8 37.6 9.6 4 4 A T S S+ 0 0 0 -2,-0.4 426,-0.2 491,-0.3 2,-0.2 0.638 102.4 16.4 -70.0 -15.5 29.4 40.5 11.2 5 5 A F S S- 0 0 4 490,-0.1 2,-0.4 20,-0.0 -1,-0.3 -0.624 77.5-143.7-161.5 95.1 32.8 39.2 9.9 6 6 A S - 0 0 7 -3,-0.4 19,-0.2 16,-0.4 18,-0.1 -0.470 9.5-150.6 -66.1 119.0 32.9 36.5 7.2 7 7 A Q + 0 0 104 -2,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.636 68.8 95.4 -70.4 -14.1 35.9 34.3 8.1 8 8 A T S S- 0 0 86 1,-0.1 2,-0.8 16,-0.0 16,-0.1 -0.649 77.2-128.1 -86.1 128.4 36.5 33.4 4.3 9 9 A K + 0 0 105 -2,-0.4 2,-0.3 473,-0.1 -2,-0.1 -0.636 38.3 173.4 -76.8 109.6 39.2 35.5 2.4 10 10 A N - 0 0 27 -2,-0.8 2,-1.0 11,-0.0 3,-0.1 -0.729 41.4-108.8-115.4 157.4 37.5 36.8 -0.7 11 11 A D > - 0 0 77 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 -0.818 28.9-162.0 -87.4 105.6 38.7 39.2 -3.4 12 12 A Q T 3 S+ 0 0 9 -2,-1.0 3,-0.5 1,-0.3 -1,-0.2 0.686 84.4 66.6 -61.3 -21.6 36.5 42.1 -2.7 13 13 A L T 3 S+ 0 0 50 1,-0.2 -1,-0.3 18,-0.1 88,-0.1 0.534 102.1 48.7 -77.1 -8.1 37.2 43.6 -6.2 14 14 A K S < S+ 0 0 147 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.467 90.2 99.6-106.7 -9.1 35.3 40.7 -7.7 15 15 A E S S- 0 0 33 -3,-0.5 2,-0.1 -4,-0.4 4,-0.1 -0.328 76.3-113.9 -76.9 156.5 32.2 40.8 -5.5 16 16 A P - 0 0 34 0, 0.0 84,-0.2 0, 0.0 4,-0.2 -0.381 30.6-107.5 -80.3 174.1 29.0 42.5 -6.7 17 17 A M S S+ 0 0 0 1,-0.1 83,-2.6 82,-0.1 84,-0.5 0.940 100.6 26.3 -67.1 -44.0 27.8 45.6 -4.9 18 18 A F B S+A 99 0A 7 81,-0.2 81,-0.2 82,-0.2 -1,-0.1 -0.843 118.2 15.5-122.4 158.6 24.9 43.7 -3.3 19 19 A F S S+ 0 0 27 79,-2.6 80,-0.1 -2,-0.3 -1,-0.1 0.521 90.3 114.8 63.1 8.3 24.1 40.2 -2.2 20 20 A G S S- 0 0 25 78,-0.5 -1,-0.1 -4,-0.2 81,-0.1 0.070 83.7 -43.0 -84.6-154.0 27.8 39.0 -2.4 21 21 A Q S S- 0 0 36 79,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.564 72.8-101.4 -74.6 132.5 29.8 37.8 0.6 22 22 A P - 0 0 26 0, 0.0 -16,-0.4 0, 0.0 78,-0.2 -0.298 46.0-102.8 -55.2 134.9 29.4 40.2 3.6 23 23 A V + 0 0 2 76,-0.8 -17,-0.2 1,-0.1 3,-0.1 -0.348 44.7 172.0 -59.8 132.5 32.4 42.5 3.8 24 24 A N + 0 0 3 1,-0.3 2,-0.4 -19,-0.2 -1,-0.1 0.739 61.4 44.1-105.2 -71.9 34.9 41.6 6.5 25 25 A V S S- 0 0 5 -19,-0.2 2,-0.9 453,-0.1 -1,-0.3 -0.551 74.9-142.2 -81.5 124.8 38.0 43.7 6.3 26 26 A A + 0 0 2 -2,-0.4 2,-0.3 396,-0.3 438,-0.1 -0.798 34.5 164.4 -86.3 103.6 37.3 47.4 5.7 27 27 A R - 0 0 10 -2,-0.9 76,-0.1 3,-0.1 434,-0.1 -0.929 28.4-177.4-124.0 149.8 40.0 48.6 3.4 28 28 A Y + 0 0 13 -2,-0.3 3,-0.1 432,-0.2 -1,-0.1 0.197 63.8 94.5-127.9 13.3 40.3 51.8 1.3 29 29 A D S S+ 0 0 42 1,-0.2 2,-0.3 445,-0.0 -1,-0.1 0.763 97.0 22.5 -76.8 -21.2 43.6 51.2 -0.5 30 30 A Q - 0 0 48 4,-0.0 2,-0.3 0, 0.0 73,-0.2 -0.991 67.3-172.2-146.7 148.9 41.7 49.8 -3.5 31 31 A Q - 0 0 57 -2,-0.3 3,-0.2 1,-0.1 -18,-0.1 -0.992 28.7-146.6-146.5 149.4 38.2 50.0 -4.9 32 32 A K S S+ 0 0 58 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.879 101.7 29.1 -75.0 -43.1 36.0 48.4 -7.6 33 33 A Y >> - 0 0 34 1,-0.1 3,-0.8 0, 0.0 4,-0.7 -0.951 67.4-160.1-124.4 112.7 34.2 51.7 -8.2 34 34 A D H 3> S+ 0 0 85 -2,-0.5 4,-2.4 1,-0.2 3,-0.3 0.764 81.8 78.1 -60.3 -28.5 36.0 55.0 -7.5 35 35 A I H 3> S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 91.0 49.5 -51.2 -47.0 32.8 56.9 -7.3 36 36 A F H <> S+ 0 0 0 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.854 111.3 48.4 -65.7 -33.3 31.9 55.7 -3.7 37 37 A E H X S+ 0 0 15 -4,-0.7 4,-2.6 -3,-0.3 -1,-0.2 0.920 110.6 51.9 -71.0 -40.2 35.4 56.6 -2.3 38 38 A K H X S+ 0 0 116 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.897 109.5 50.4 -61.9 -40.3 35.2 60.0 -4.0 39 39 A L H X S+ 0 0 8 -4,-2.3 4,-3.3 -5,-0.2 5,-0.3 0.917 108.4 52.1 -63.7 -44.2 31.8 60.6 -2.3 40 40 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.949 110.6 47.9 -58.1 -50.4 33.2 59.6 1.1 41 41 A E H X S+ 0 0 86 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.936 114.5 46.3 -57.7 -45.6 36.0 62.1 0.7 42 42 A K H X S+ 0 0 96 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.934 111.7 49.5 -62.2 -50.5 33.7 64.9 -0.4 43 43 A Q H >X S+ 0 0 12 -4,-3.3 3,-1.0 1,-0.2 4,-0.6 0.934 111.9 50.2 -54.8 -45.9 31.1 64.2 2.3 44 44 A L H >< S+ 0 0 6 -4,-2.7 3,-0.8 -5,-0.3 -1,-0.2 0.869 109.6 50.0 -60.9 -38.8 33.9 64.2 4.9 45 45 A S H 3< S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.593 107.8 54.5 -77.2 -10.7 35.3 67.5 3.6 46 46 A F H << S+ 0 0 31 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.478 76.8 143.8 -95.2 -11.2 31.8 69.1 3.7 47 47 A F << + 0 0 55 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.1 -0.022 22.4 169.0 -35.8 124.4 31.4 68.3 7.4 48 48 A W - 0 0 24 185,-0.0 3,-0.1 3,-0.0 -2,-0.1 -0.930 31.6-130.3-140.6 159.9 29.5 71.0 9.2 49 49 A R > - 0 0 44 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.973 8.3-149.2-116.8 123.4 27.8 71.5 12.6 50 50 A P G > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.927 95.5 64.8 -52.6 -48.6 24.3 72.9 12.7 51 51 A E G 3 S+ 0 0 54 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 0.796 89.3 66.8 -47.3 -36.4 25.0 74.6 16.1 52 52 A E G < S+ 0 0 144 -3,-0.9 2,-0.4 2,-0.1 -1,-0.3 0.726 83.8 88.5 -62.7 -23.8 27.6 76.9 14.5 53 53 A V S < S- 0 0 22 -3,-2.3 2,-0.6 -4,-0.4 173,-0.1 -0.643 78.0-128.9 -84.0 130.9 25.0 78.8 12.4 54 54 A D + 0 0 90 -2,-0.4 175,-0.1 1,-0.1 4,-0.1 -0.660 38.7 157.4 -80.3 117.7 23.2 81.8 14.0 55 55 A V > + 0 0 1 -2,-0.6 4,-0.5 171,-0.1 -1,-0.1 0.074 39.7 107.8-124.9 21.0 19.4 81.5 13.7 56 56 A S H >> S+ 0 0 66 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.859 77.5 57.0 -69.1 -33.0 18.3 83.8 16.5 57 57 A R H >> S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 3,-1.3 0.912 92.5 69.0 -61.6 -45.7 17.2 86.5 14.0 58 58 A D H 3> S+ 0 0 2 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.737 86.1 69.6 -45.9 -31.5 14.8 84.1 12.2 59 59 A R H < S+ 0 0 26 -4,-3.4 3,-0.9 1,-0.2 -1,-0.2 0.853 109.8 51.3 -56.6 -43.1 9.1 84.1 11.4 63 63 A Q H 3< S+ 0 0 99 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.873 105.9 56.5 -62.5 -38.3 6.8 85.8 14.0 64 64 A A H 3< S+ 0 0 75 -4,-2.4 -1,-0.2 -3,-0.3 -2,-0.2 0.567 86.1 106.6 -70.7 -12.5 6.2 88.7 11.5 65 65 A L S << S- 0 0 9 -3,-0.9 5,-0.0 -4,-0.6 -3,-0.0 -0.382 76.3-112.1 -72.8 146.5 4.9 86.4 8.8 66 66 A P > - 0 0 51 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.287 38.7 -99.7 -67.1 167.4 1.2 86.2 8.0 67 67 A E H > S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.919 123.1 48.4 -58.9 -48.9 -0.6 83.0 8.9 68 68 A H H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 112.0 51.3 -61.9 -34.0 -0.5 81.5 5.4 69 69 A E H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 109.7 48.4 -71.6 -33.6 3.2 82.3 5.2 70 70 A K H X S+ 0 0 41 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.904 111.2 53.4 -67.5 -41.4 3.9 80.7 8.5 71 71 A H H X S+ 0 0 25 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.928 108.6 47.7 -56.1 -52.4 1.9 77.7 7.2 72 72 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.971 117.7 41.6 -55.1 -56.1 4.0 77.5 4.0 73 73 A F H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.942 117.8 43.7 -56.9 -58.6 7.3 77.7 6.0 74 74 A I H X S+ 0 0 16 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.839 113.3 50.5 -58.7 -41.8 6.4 75.4 8.9 75 75 A S H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.920 111.9 49.3 -63.5 -43.2 4.8 72.7 6.7 76 76 A N H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.962 111.8 48.3 -59.9 -49.0 7.8 72.7 4.5 77 77 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.840 110.5 51.0 -61.7 -37.2 10.1 72.4 7.6 78 78 A K H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.935 109.4 50.6 -65.4 -45.7 8.0 69.5 9.0 79 79 A Y H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 111.0 48.7 -57.7 -47.6 8.2 67.6 5.8 80 80 A Q H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.936 110.6 51.6 -59.1 -43.6 12.0 68.0 5.6 81 81 A T H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 286,-0.3 0.874 111.3 46.9 -62.3 -39.5 12.2 66.9 9.3 82 82 A L H >X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 3,-0.7 0.972 110.7 51.2 -66.5 -55.7 10.2 63.7 8.6 83 83 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.910 112.4 45.5 -49.9 -49.7 12.1 62.8 5.4 84 84 A D H 3X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.3 0.755 104.3 62.2 -70.6 -20.1 15.5 63.1 7.0 85 85 A S H S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.6 0.845 91.5 51.9 -57.6 -46.2 17.0 53.6 6.7 91 91 A P H >>S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 5,-1.3 0.931 115.5 45.6 -60.2 -37.6 20.1 53.3 4.6 92 92 A N H 45S+ 0 0 1 -4,-0.3 4,-0.4 -3,-0.2 -2,-0.2 0.926 119.0 39.3 -69.1 -46.0 21.9 51.6 7.5 93 93 A V H <5S+ 0 0 12 -4,-2.3 -3,-0.2 3,-0.1 -1,-0.2 0.913 127.8 31.6 -72.5 -40.6 19.1 49.3 8.5 94 94 A A H <5S+ 0 0 1 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.1 0.903 129.2 28.7 -85.3 -45.1 18.0 48.4 4.9 95 95 A L T >X4> S- 0 0 0 -84,-0.5 4,-1.9 1,-0.1 3,-0.6 -0.999 73.5-132.5-132.4 133.5 32.1 45.7 -1.1 102 102 A P H 3> S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.880 100.9 51.7 -44.8 -61.6 34.0 48.0 1.4 103 103 A E H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.810 111.6 47.6 -53.1 -37.3 33.7 51.4 -0.2 104 104 A L H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.927 110.3 52.9 -70.9 -43.5 29.9 51.1 -0.7 105 105 A E H X S+ 0 0 8 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.964 113.2 42.9 -55.4 -54.2 29.4 50.0 2.9 106 106 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.911 110.9 55.1 -60.8 -44.9 31.3 53.0 4.3 107 107 A W H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.3 -1,-0.2 0.954 107.7 50.9 -53.3 -48.4 29.6 55.4 1.8 108 108 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.913 111.6 46.0 -57.5 -43.4 26.2 54.2 3.1 109 109 A E H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.880 114.7 48.0 -67.9 -36.9 27.2 54.7 6.8 110 110 A T H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.923 111.4 50.2 -67.0 -45.4 28.6 58.2 6.0 111 111 A W H X S+ 0 0 0 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.960 113.1 46.3 -56.0 -53.3 25.5 59.1 4.0 112 112 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.928 112.3 50.0 -58.0 -47.7 23.3 58.0 6.9 113 113 A F H X S+ 0 0 8 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.910 107.2 55.3 -55.9 -45.2 25.5 59.9 9.4 114 114 A S H >X S+ 0 0 5 -4,-2.8 4,-1.5 1,-0.2 3,-0.5 0.907 104.9 54.4 -54.4 -41.3 25.2 62.9 7.2 115 115 A E H 3X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.3 -27,-0.2 0.874 101.0 57.2 -65.5 -35.4 21.4 62.6 7.4 116 116 A T H 3X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.836 103.2 55.3 -65.8 -28.3 21.5 62.6 11.2 117 117 A I H < S+ 0 0 0 -4,-1.6 3,-1.5 -3,-0.4 4,-0.5 0.957 113.2 50.4 -76.5 -54.4 15.9 75.8 13.8 126 126 A I H >X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 3,-1.2 0.878 108.3 50.3 -53.1 -47.2 12.6 74.8 15.3 127 127 A R T 3< S+ 0 0 117 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.617 110.6 53.0 -72.2 -6.4 13.5 75.5 18.9 128 128 A N T <4 S+ 0 0 42 -3,-1.5 -69,-0.3 -5,-0.2 -1,-0.2 0.451 119.9 27.3-104.0 -4.7 14.8 78.9 17.9 129 129 A I T <4 S+ 0 0 1 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.640 112.2 59.0-124.8 -35.4 11.7 80.2 16.0 130 130 A V S < S- 0 0 24 -4,-2.2 -71,-0.0 -5,-0.2 -67,-0.0 -0.454 70.5-134.7 -95.0 167.6 8.7 78.4 17.5 131 131 A N S S+ 0 0 134 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.935 94.3 25.7 -85.0 -63.4 7.5 78.5 21.2 132 132 A D >> - 0 0 85 1,-0.1 3,-1.2 2,-0.0 4,-0.8 -0.890 67.0-164.5-107.3 97.9 6.7 74.9 22.0 133 133 A P H 3> S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.790 83.8 72.1 -50.8 -26.3 8.8 72.7 19.7 134 134 A S H 3> S+ 0 0 29 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.892 87.8 57.7 -59.8 -42.4 6.5 69.9 20.7 135 135 A V H <> S+ 0 0 87 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.912 111.6 43.9 -55.7 -40.6 3.5 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88.0 51.5 -64.0 -41.4 24.3 61.3 28.4 377 36 B F H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.866 106.5 51.8 -64.9 -35.1 23.7 60.2 24.8 378 37 B E H > S+ 0 0 12 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.921 111.0 49.6 -67.2 -37.1 23.2 63.7 23.6 379 38 B K H X S+ 0 0 90 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.874 108.6 51.9 -68.9 -38.5 26.5 64.7 25.3 380 39 B L H X S+ 0 0 9 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.958 110.6 48.7 -63.5 -45.8 28.3 61.8 23.7 381 40 B I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.949 112.8 47.4 -57.5 -52.0 27.0 62.9 20.3 382 41 B E H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.917 114.9 46.7 -55.9 -44.3 28.1 66.5 20.9 383 42 B K H X S+ 0 0 108 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.955 111.5 49.6 -63.6 -51.6 31.5 65.4 22.1 384 43 B Q H < S+ 0 0 10 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.893 111.2 50.3 -55.7 -42.7 32.1 63.0 19.3 385 44 B L H >< S+ 0 0 5 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.886 107.5 52.7 -65.7 -38.7 31.2 65.7 16.7 386 45 B S H 3< S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.749 105.9 56.3 -69.8 -19.5 33.5 68.2 18.2 387 46 B F T 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.386 76.3 143.9 -89.8 2.1 36.3 65.6 18.0 388 47 B F < + 0 0 55 -3,-1.5 2,-0.3 -4,-0.1 -3,-0.1 -0.167 20.7 162.0 -47.7 128.4 35.8 65.2 14.2 389 48 B W - 0 0 27 185,-0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.958 32.8-133.1-146.8 159.7 39.2 64.6 12.5 390 49 B R > - 0 0 45 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 -0.974 9.0-145.4-120.9 126.5 40.5 63.2 9.2 391 50 B P G > S+ 0 0 1 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.890 96.4 68.2 -55.0 -41.3 43.4 60.7 9.0 392 51 B E G 3 S+ 0 0 61 1,-0.3 70,-0.0 3,-0.1 0, 0.0 0.829 89.7 66.3 -48.0 -37.4 44.6 62.2 5.7 393 52 B E G < S+ 0 0 146 -3,-1.1 2,-0.4 2,-0.1 -1,-0.3 0.702 85.1 83.6 -59.5 -27.0 45.6 65.3 7.7 394 53 B V S < S- 0 0 17 -3,-2.4 2,-0.7 -4,-0.4 173,-0.1 -0.694 78.5-132.5 -86.7 132.7 48.3 63.5 9.7 395 54 B D + 0 0 106 -2,-0.4 175,-0.1 1,-0.1 3,-0.1 -0.724 33.3 164.9 -86.3 115.4 51.7 63.1 8.1 396 55 B V + 0 0 1 -2,-0.7 4,-0.4 171,-0.1 -1,-0.1 -0.074 40.6 112.7-118.4 29.5 52.9 59.6 8.5 397 56 B S S > S+ 0 0 62 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.960 74.1 49.2 -70.0 -50.4 55.7 59.8 5.9 398 57 B R T >> S+ 0 0 94 1,-0.3 4,-1.7 2,-0.2 3,-1.2 0.809 96.5 72.2 -60.9 -28.7 58.7 59.5 8.3 399 58 B D H 3> S+ 0 0 4 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.779 86.6 67.0 -55.2 -29.1 57.1 56.4 9.9 400 59 B R H <> S+ 0 0 74 -3,-1.7 4,-1.9 -4,-0.4 -1,-0.3 0.908 103.4 44.0 -57.9 -42.0 57.9 54.6 6.7 401 60 B I H <> S+ 0 0 102 -3,-1.2 4,-2.2 -4,-0.5 -2,-0.2 0.923 113.0 49.6 -69.5 -49.8 61.6 55.0 7.5 402 61 B D H X S+ 0 0 16 -4,-1.7 4,-1.5 1,-0.2 3,-0.2 0.962 111.0 51.1 -55.2 -51.6 61.3 54.0 11.1 403 62 B Y H < S+ 0 0 30 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.898 108.9 50.1 -54.2 -46.3 59.3 50.9 10.1 404 63 B Q H < S+ 0 0 101 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 111.3 50.2 -62.0 -36.1 61.9 49.8 7.6 405 64 B A H < S+ 0 0 81 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.705 85.8 107.0 -74.6 -21.8 64.7 50.2 10.2 406 65 B L S < S- 0 0 9 -4,-1.5 5,-0.1 -3,-0.5 -3,-0.0 -0.287 77.3-112.7 -60.0 138.3 62.9 48.1 13.0 407 66 B P > - 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.233 38.8 -92.9 -65.5 168.5 64.4 44.7 13.6 408 67 B E H > S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.910 123.4 45.0 -47.7 -57.8 62.3 41.7 12.6 409 68 B H H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.862 112.1 52.5 -60.8 -36.7 60.5 41.1 15.9 410 69 B E H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 108.8 50.3 -68.8 -33.7 59.8 44.8 16.4 411 70 B K H X S+ 0 0 56 -4,-2.2 4,-3.4 -3,-0.2 5,-0.3 0.968 110.8 51.0 -64.5 -47.6 58.2 44.8 13.0 412 71 B H H X S+ 0 0 24 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.917 109.2 49.3 -52.7 -52.9 56.2 41.8 14.1 413 72 B I H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.955 117.4 41.5 -53.1 -53.3 55.0 43.5 17.3 414 73 B F H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.935 117.5 43.5 -61.9 -54.5 54.0 46.6 15.4 415 74 B I H X S+ 0 0 17 -4,-3.4 4,-2.8 2,-0.2 5,-0.2 0.902 112.2 52.1 -62.2 -42.9 52.3 45.0 12.4 416 75 B S H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.911 111.3 49.1 -58.6 -43.8 50.4 42.3 14.3 417 76 B N H X S+ 0 0 2 -4,-1.7 4,-2.4 -5,-0.4 -1,-0.2 0.915 111.5 48.7 -61.7 -44.5 49.0 45.0 16.6 418 77 B L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.909 109.8 51.6 -62.7 -45.3 48.0 47.1 13.6 419 78 B K H X S+ 0 0 21 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.910 109.7 50.5 -59.6 -41.9 46.3 44.1 11.9 420 79 B Y H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 3,-0.3 0.965 111.2 47.0 -61.4 -53.5 44.3 43.4 15.0 421 80 B Q H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.922 108.9 55.5 -53.3 -48.7 43.1 47.0 15.4 422 81 B T H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -396,-0.3 0.886 111.0 45.9 -52.4 -41.8 42.1 47.1 11.7 423 82 B L H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.3 3,-0.4 0.935 110.3 51.0 -68.2 -50.9 40.0 44.0 12.3 424 83 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 -2,-0.2 0.900 113.8 45.1 -56.9 -43.4 38.3 45.2 15.5 425 84 B D H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -1,-0.3 0.707 106.0 60.1 -76.3 -18.6 37.3 48.5 13.9 426 85 B S H X S+ 0 0 2 -4,-0.9 4,-1.3 -3,-0.4 5,-0.2 0.939 112.6 39.8 -69.2 -44.6 36.1 46.8 10.7 427 86 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.947 115.0 52.1 -65.7 -48.1 33.6 44.9 13.0 428 87 B Q H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 28,-0.2 0.697 102.8 63.2 -62.5 -20.6 33.0 48.1 15.0 429 88 B G H < S+ 0 0 4 -4,-1.1 4,-0.3 27,-0.2 -1,-0.2 0.978 118.7 18.2 -70.0 -52.8 32.2 50.0 11.8 430 89 B R H X S+ 0 0 1 -4,-1.3 4,-2.1 -426,-0.2 3,-0.4 0.843 113.7 70.4 -88.2 -35.7 29.2 48.0 10.6 431 90 B S H X>S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.6 0.833 89.3 53.8 -57.3 -49.8 28.1 46.2 13.8 432 91 B P H >>S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 5,-0.9 0.916 115.4 47.4 -55.3 -34.2 26.6 48.8 16.1 433 92 B N H >5S+ 0 0 1 -3,-0.4 4,-0.8 -4,-0.3 -2,-0.2 0.957 116.7 37.3 -70.8 -54.8 24.4 49.8 13.1 434 93 B V H <5S+ 0 0 12 -4,-2.1 -3,-0.2 1,-0.1 -1,-0.2 0.867 126.3 37.5 -67.8 -35.3 23.1 46.4 11.9 435 94 B A H <5S+ 0 0 2 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.1 0.885 126.4 26.2 -86.5 -42.8 22.8 44.9 15.4 436 95 B L H >X< S- 0 0 0 -84,-0.5 4,-2.2 1,-0.1 3,-0.3 -0.984 72.9-133.6-127.0 137.8 14.7 56.6 21.8 443 102 B P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.932 102.8 56.5 -51.4 -52.1 16.1 59.2 19.3 444 103 B E H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 111.4 43.2 -50.1 -44.6 19.2 60.1 21.3 445 104 B L H > S+ 0 0 0 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.937 111.7 53.9 -69.8 -46.6 20.4 56.5 21.5 446 105 B E H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.950 113.2 42.5 -51.7 -53.8 19.6 55.9 17.8 447 106 B T H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.916 112.5 54.2 -63.4 -40.5 21.7 58.9 16.7 448 107 B W H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.3 5,-0.3 0.949 107.8 49.8 -59.1 -47.3 24.5 58.1 19.1 449 108 B V H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.927 112.8 47.2 -57.6 -42.8 24.7 54.5 17.7 450 109 B E H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.893 114.3 46.3 -65.1 -40.1 24.9 55.9 14.2 451 110 B T H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.878 113.3 49.7 -68.0 -41.0 27.5 58.5 15.2 452 111 B W H X S+ 0 0 0 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.965 111.6 47.9 -63.0 -51.9 29.6 56.0 17.1 453 112 B A H X S+ 0 0 0 -4,-2.9 4,-1.1 -5,-0.3 3,-0.3 0.920 110.7 53.8 -56.7 -42.8 29.5 53.5 14.1 454 113 B F H >X S+ 0 0 8 -4,-2.2 4,-1.3 1,-0.2 3,-0.6 0.892 103.7 52.8 -59.5 -46.3 30.5 56.4 11.8 455 114 B S H 3X S+ 0 0 6 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.831 103.1 60.5 -61.3 -30.2 33.6 57.4 13.9 456 115 B E H 3X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.3 -1,-0.2 0.863 99.7 55.0 -64.5 -34.7 34.7 53.8 13.7 457 116 B T H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 3,-0.5 0.971 115.7 47.1 -77.3 -56.3 49.0 54.0 7.9 467 126 B I H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 3,-1.2 0.894 110.5 54.9 -50.2 -46.5 49.4 50.6 6.2 468 127 B R H 3< S+ 0 0 120 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.867 111.2 45.1 -56.9 -40.6 49.5 52.2 2.8 469 128 B N H << S+ 0 0 51 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.417 119.5 34.9 -89.7 -0.7 52.4 54.5 3.8 470 129 B I H << S+ 0 0 1 -3,-1.2 2,-0.2 -4,-0.7 -2,-0.2 0.596 106.8 62.8-124.0 -23.4 54.7 52.0 5.6 471 130 B V < - 0 0 17 -4,-2.1 -67,-0.0 -5,-0.3 -71,-0.0 -0.594 68.0-140.5-101.3 161.6 54.4 48.7 3.8 472 131 B N S S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.879 97.3 27.9 -85.5 -52.1 55.3 48.1 0.1 473 132 B D >> - 0 0 86 1,-0.1 3,-1.5 2,-0.0 4,-0.7 -0.862 66.2-171.0-116.4 96.5 52.3 45.9 -0.7 474 133 B P H 3> S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.810 83.0 69.4 -51.4 -31.3 49.3 46.7 1.5 475 134 B S H 3> S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 91.2 59.5 -60.6 -34.1 47.5 43.6 0.2 476 135 B V H <> S+ 0 0 91 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.940 110.5 41.0 -55.1 -55.0 49.9 41.4 2.1 477 136 B V H X S+ 0 0 8 -4,-0.7 4,-1.1 1,-0.2 -2,-0.2 0.961 116.0 48.6 -57.4 -58.0 48.9 42.9 5.4 478 137 B F H X S+ 0 0 1 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.812 109.2 53.4 -55.3 -38.3 45.2 43.1 4.7 479 138 B D H >X S+ 0 0 51 -4,-2.6 4,-1.4 -5,-0.2 3,-1.3 0.933 104.4 54.2 -66.7 -42.9 45.0 39.5 3.5 480 139 B D H 3X S+ 0 0 42 -4,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.762 92.7 73.4 -64.4 -23.8 46.6 38.1 6.6 481 140 B I H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.864 107.9 32.8 -59.4 -33.6 44.0 39.8 8.7 482 141 B V H << S+ 0 0 8 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.761 125.8 44.8 -90.4 -30.4 41.4 37.2 7.6 483 142 B T H < S+ 0 0 70 -4,-1.4 -2,-0.2 -475,-0.1 -3,-0.2 0.979 81.0 101.5 -73.8 -68.5 43.9 34.4 7.3 484 143 B N >X - 0 0 5 -4,-1.8 4,-2.8 1,-0.2 3,-0.6 0.071 59.8-153.0 -28.2 102.3 46.0 34.6 10.5 485 144 B E H 3> S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.761 92.9 58.1 -53.3 -33.1 44.7 31.9 12.9 486 145 B Q H 3> S+ 0 0 60 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.925 111.6 39.2 -65.3 -46.0 45.8 34.0 15.9 487 146 B I H X> S+ 0 0 0 -3,-0.6 4,-1.6 1,-0.2 3,-1.3 0.926 111.3 60.6 -70.1 -42.4 43.7 37.0 14.9 488 147 B Q H 3X S+ 0 0 15 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.833 95.2 61.1 -54.3 -38.8 40.9 34.7 13.8 489 148 B K H 3< S+ 0 0 121 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.834 111.0 40.2 -60.8 -30.7 40.4 33.2 17.2 490 149 B R H S+ 0 0 27 -2,-0.1 4,-1.3 1,-0.1 -1,-0.2 -0.539 114.3 50.1 113.6 -60.5 33.7 35.2 19.6 494 153 B I H X S+ 0 0 1 -4,-0.9 4,-0.8 -2,-0.5 -2,-0.2 0.931 115.7 42.0 -73.3 -45.8 33.4 39.0 19.3 495 154 B S H X S+ 0 0 7 -4,-2.2 4,-3.2 1,-0.2 -491,-0.3 0.745 106.2 67.0 -72.1 -23.2 31.4 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