==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-DEC-03 1RSV . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ASSARSSON,M.E.ANDERSSON,M.HOGBOM,B.O.PERSSON,M.SAHLIN, . 681 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 77.2 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 . 22 3.2 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 . 79 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 57.7 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 2 2 0 1 2 0 2 0 2 0 0 0 4 0 2 0 1 0 0 0 1 0 2 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 . 5 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 98 0, 0.0 2,-0.2 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 -24.8 14.0 -13.8 28.8 2 2 A Y - 0 0 19 497,-0.1 2,-0.4 166,-0.1 501,-0.1 -0.564 360.0-162.2 -79.6 143.8 14.5 -10.6 30.8 3 3 A T - 0 0 29 -2,-0.2 3,-0.4 94,-0.1 493,-0.1 -0.982 29.3-156.8-135.7 133.5 17.8 -8.9 30.2 4 4 A T S S+ 0 0 0 -2,-0.4 427,-0.2 491,-0.3 426,-0.2 0.598 102.5 22.5 -71.7 -13.5 19.7 -6.3 32.2 5 5 A F S S- 0 0 9 490,-0.1 -1,-0.3 -3,-0.1 19,-0.2 -0.544 79.2-151.8-158.8 85.6 21.4 -5.4 28.9 6 6 A S - 0 0 9 -3,-0.4 19,-0.1 17,-0.3 4,-0.1 -0.371 7.9-151.9 -60.6 124.0 19.6 -6.3 25.5 7 7 A Q + 0 0 91 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.568 63.5 99.6 -79.0 -11.1 22.3 -6.9 22.8 8 8 A T S S- 0 0 94 1,-0.0 2,-0.4 475,-0.0 16,-0.1 -0.616 78.3-125.6 -77.8 131.4 20.3 -6.0 19.8 9 9 A K + 0 0 117 -2,-0.4 2,-0.3 15,-0.1 -2,-0.1 -0.679 45.4 179.4 -74.1 126.3 21.0 -2.5 18.7 10 10 A N - 0 0 20 -2,-0.4 2,-1.0 -4,-0.1 14,-0.1 -0.968 39.3-112.3-134.4 149.2 17.5 -1.0 18.6 11 11 A D > - 0 0 75 -2,-0.3 3,-1.4 1,-0.2 4,-0.1 -0.713 29.0-167.6 -81.0 107.1 15.8 2.4 17.8 12 12 A Q G > S+ 0 0 11 -2,-1.0 3,-0.6 1,-0.3 20,-0.2 0.634 82.3 67.0 -70.5 -15.0 14.7 3.3 21.3 13 13 A L G 3 S+ 0 0 60 1,-0.2 -1,-0.3 18,-0.1 -2,-0.1 0.739 102.8 47.1 -77.7 -18.9 12.5 6.0 19.8 14 14 A K G < S+ 0 0 165 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.280 87.0 102.7-105.4 9.9 10.4 3.4 18.2 15 15 A E S < S- 0 0 33 -3,-0.6 2,-0.1 -4,-0.1 4,-0.1 -0.580 76.2-109.5 -88.0 163.8 9.8 1.1 21.0 16 16 A P - 0 0 31 0, 0.0 4,-0.4 0, 0.0 84,-0.3 -0.448 32.3-108.1 -79.9 160.5 6.5 1.0 22.9 17 17 A M S S+ 0 0 0 -2,-0.1 83,-2.6 82,-0.1 84,-0.6 0.923 101.0 19.3 -55.3 -44.9 6.5 2.4 26.5 18 18 A F B S+A 99 0A 5 81,-0.3 81,-0.2 82,-0.2 -1,-0.1 -0.890 118.1 23.0-128.6 160.4 6.1 -1.2 27.8 19 19 A F S S+ 0 0 21 79,-2.8 80,-0.1 -2,-0.3 -1,-0.1 0.401 88.7 113.0 70.0 0.6 6.6 -4.7 26.6 20 20 A G S S- 0 0 22 -4,-0.4 -1,-0.2 78,-0.4 81,-0.1 0.029 86.2 -48.0 -82.8-160.3 9.1 -3.8 23.9 21 21 A Q S S- 0 0 37 79,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.530 73.8 -98.0 -70.1 137.8 12.9 -4.9 24.1 22 22 A P - 0 0 30 0, 0.0 -16,-0.2 0, 0.0 78,-0.2 -0.212 49.8 -95.2 -55.2 143.2 14.3 -4.1 27.6 23 23 A V - 0 0 1 76,-0.8 -17,-0.3 1,-0.1 3,-0.1 -0.415 44.7-179.5 -61.8 137.7 16.2 -0.8 27.5 24 24 A N + 0 0 3 1,-0.3 2,-0.3 -19,-0.2 -1,-0.1 0.759 63.2 36.9-100.9 -78.7 19.9 -1.4 26.9 25 25 A V S S- 0 0 3 -19,-0.1 2,-0.9 453,-0.1 -1,-0.3 -0.554 72.5-139.9 -77.6 139.0 21.7 2.0 26.8 26 26 A A + 0 0 2 396,-0.3 2,-0.4 -2,-0.3 438,-0.1 -0.843 39.1 157.8 -97.6 102.6 20.6 4.8 29.2 27 27 A R - 0 0 8 -2,-0.9 434,-0.1 3,-0.1 76,-0.1 -0.972 28.1-173.9-127.9 142.6 20.8 7.9 27.0 28 28 A Y + 0 0 9 -2,-0.4 3,-0.1 432,-0.2 -1,-0.0 0.012 60.2 100.1-123.7 22.0 18.9 11.1 27.7 29 29 A D S S+ 0 0 31 1,-0.1 2,-0.3 445,-0.0 -1,-0.1 0.582 96.1 12.9 -82.7 -13.7 19.8 13.1 24.5 30 30 A Q - 0 0 51 -3,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.965 67.9-165.9-154.8 162.2 16.5 12.3 22.9 31 31 A Q - 0 0 53 -2,-0.3 3,-0.3 1,-0.1 -18,-0.1 -0.990 28.7-138.4-155.1 147.0 13.1 10.8 24.0 32 32 A K S S+ 0 0 57 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.932 108.6 22.3 -70.8 -45.9 10.0 9.3 22.4 33 33 A Y >> - 0 0 29 1,-0.1 3,-1.4 -3,-0.1 4,-0.5 -0.927 69.8-166.5-127.5 106.6 8.0 11.3 25.0 34 34 A D H 3> S+ 0 0 91 -2,-0.5 4,-3.0 -3,-0.3 5,-0.2 0.629 79.3 80.6 -66.5 -15.9 9.7 14.2 26.5 35 35 A I H 3> S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.900 91.6 53.9 -60.2 -34.3 7.2 14.6 29.2 36 36 A F H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.949 110.2 44.5 -67.0 -37.5 9.1 11.8 30.9 37 37 A E H X S+ 0 0 11 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.906 111.8 54.3 -67.8 -42.6 12.5 13.6 30.7 38 38 A K H X S+ 0 0 125 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.906 107.2 50.3 -59.9 -40.7 10.7 16.7 31.8 39 39 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.896 109.6 50.6 -65.5 -40.0 9.4 14.9 34.9 40 40 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.947 110.9 49.4 -62.5 -43.6 12.9 13.6 35.8 41 41 A E H X S+ 0 0 100 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.870 113.3 45.6 -62.4 -40.3 14.3 17.1 35.5 42 42 A K H X S+ 0 0 112 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.936 112.0 50.2 -70.8 -46.1 11.6 18.6 37.7 43 43 A Q H >< S+ 0 0 10 -4,-2.7 3,-1.0 2,-0.2 4,-0.2 0.962 111.7 48.8 -55.5 -51.1 11.8 15.9 40.4 44 44 A L H >< S+ 0 0 8 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.887 109.6 52.8 -51.4 -45.0 15.6 16.3 40.6 45 45 A S H 3< S+ 0 0 70 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.737 108.1 52.8 -67.5 -21.6 15.1 20.1 40.9 46 46 A F T << S+ 0 0 37 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.349 77.1 144.1 -93.6 3.7 12.8 19.3 43.8 47 47 A F < + 0 0 49 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.1 -0.179 23.6 172.6 -46.3 129.7 15.2 17.1 45.7 48 48 A W - 0 0 23 185,-0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.961 29.2-133.7-140.9 157.2 14.8 17.7 49.5 49 49 A R > - 0 0 50 -2,-0.3 3,-0.8 1,-0.2 4,-0.3 -0.966 9.0-154.7-120.7 117.1 16.1 16.2 52.6 50 50 A P G > S+ 0 0 0 0, 0.0 3,-3.0 0, 0.0 -1,-0.2 0.874 89.0 57.8 -50.7 -58.0 13.7 15.3 55.3 51 51 A E G 3 S+ 0 0 62 1,-0.3 4,-0.1 3,-0.0 70,-0.0 0.752 97.3 66.7 -49.9 -29.0 15.9 15.4 58.4 52 52 A E G < S+ 0 0 160 -3,-0.8 -1,-0.3 2,-0.1 2,-0.3 0.736 80.7 97.3 -66.3 -24.2 16.8 19.0 57.4 53 53 A V S < S- 0 0 17 -3,-3.0 2,-0.6 -4,-0.3 173,-0.1 -0.491 81.2-122.8 -69.3 127.9 13.1 19.9 58.2 54 54 A D + 0 0 95 -2,-0.3 175,-0.1 1,-0.2 3,-0.1 -0.613 45.8 154.4 -76.8 121.0 12.7 21.4 61.6 55 55 A V >> + 0 0 7 -2,-0.6 3,-0.9 -4,-0.1 4,-0.6 0.082 32.4 122.4-126.6 15.8 10.1 19.4 63.6 56 56 A S T 34 S+ 0 0 91 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.799 80.9 39.3 -49.0 -34.5 11.6 20.4 67.0 57 57 A R T 3> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.1 3,-0.3 0.606 90.4 86.9 -94.0 -14.4 8.2 21.9 68.0 58 58 A D H <> S+ 0 0 2 -3,-0.9 4,-3.2 1,-0.2 -1,-0.2 0.819 87.4 55.8 -54.6 -33.1 5.9 19.3 66.6 59 59 A R H X S+ 0 0 88 -4,-0.6 4,-3.1 -3,-0.2 5,-0.3 0.905 105.9 50.4 -65.4 -45.3 6.2 17.2 69.8 60 60 A I H > S+ 0 0 99 -3,-0.3 4,-2.1 -4,-0.3 3,-0.2 0.995 116.8 40.4 -57.0 -62.9 5.0 20.1 71.9 61 61 A D H < S+ 0 0 9 -4,-1.9 4,-0.4 1,-0.2 3,-0.4 0.944 116.3 51.2 -49.3 -55.3 2.0 20.6 69.7 62 62 A Y H >< S+ 0 0 25 -4,-3.2 3,-1.2 1,-0.2 -1,-0.2 0.868 110.1 47.5 -51.6 -46.1 1.4 16.9 69.3 63 63 A Q H 3< S+ 0 0 134 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.4 57.5 -63.1 -38.1 1.5 16.2 73.0 64 64 A A T 3< S+ 0 0 74 -4,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.459 86.7 115.5 -74.6 -2.0 -0.9 19.1 73.7 65 65 A L S < S- 0 0 8 -3,-1.2 -3,-0.0 -4,-0.4 -4,-0.0 -0.449 77.2-106.3 -75.4 144.3 -3.4 17.6 71.5 66 66 A P >> - 0 0 54 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.348 41.6-108.6 -59.8 143.6 -6.8 16.3 72.6 67 67 A E H 3> S+ 0 0 148 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.822 118.2 49.6 -46.7 -38.8 -6.6 12.5 72.6 68 68 A H H 3> S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.801 107.0 52.9 -75.1 -29.0 -8.9 12.2 69.6 69 69 A E H <> S+ 0 0 17 -3,-1.1 4,-3.9 2,-0.2 5,-0.2 0.923 107.4 53.6 -70.7 -38.3 -7.0 14.7 67.5 70 70 A K H X S+ 0 0 27 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.945 110.0 48.1 -56.2 -45.9 -3.9 12.7 68.2 71 71 A H H X S+ 0 0 34 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.868 111.9 47.8 -62.8 -41.9 -5.7 9.7 66.9 72 72 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.990 115.3 47.3 -64.0 -54.6 -6.9 11.5 63.9 73 73 A F H X S+ 0 0 2 -4,-3.9 4,-2.2 1,-0.2 -2,-0.2 0.896 118.1 38.0 -49.3 -53.6 -3.4 12.8 63.3 74 74 A I H X S+ 0 0 14 -4,-3.6 4,-3.2 2,-0.2 5,-0.2 0.851 111.0 56.7 -70.7 -40.5 -1.6 9.5 63.8 75 75 A S H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.953 111.5 46.4 -56.9 -46.1 -4.0 7.3 62.1 76 76 A N H >X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.3 3,-0.5 0.951 112.8 48.3 -59.1 -54.3 -3.6 9.5 59.0 77 77 A L H 3X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.3 5,-0.2 0.914 107.8 55.2 -56.1 -42.9 0.2 9.5 59.2 78 78 A K H 3X S+ 0 0 18 -4,-3.2 4,-2.0 1,-0.2 -1,-0.3 0.893 108.3 49.8 -60.1 -34.7 0.3 5.8 59.6 79 79 A Y H S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.5 0.871 92.6 49.4 -49.2 -53.2 6.5 -1.1 43.9 91 91 A P H >>S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-1.1 0.898 117.0 46.1 -55.8 -38.9 7.2 0.9 40.8 92 92 A N H 45S+ 0 0 1 -3,-0.4 4,-0.5 -4,-0.3 -2,-0.2 0.938 117.6 40.0 -72.3 -45.9 10.6 -0.6 40.7 93 93 A V H <5S+ 0 0 14 -4,-3.0 -3,-0.2 1,-0.2 -1,-0.2 0.903 126.0 34.2 -74.4 -33.5 9.7 -4.1 41.2 94 94 A A H <5S+ 0 0 1 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.860 128.6 27.5 -87.5 -39.2 6.5 -4.1 39.1 95 95 A L T >X4 S- 0 0 0 -84,-0.6 4,-2.2 1,-0.1 3,-0.3 -0.999 72.4-135.9-133.0 132.7 12.1 3.3 26.6 102 102 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.854 100.8 56.0 -56.2 -43.5 14.9 4.9 28.6 103 103 A E H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.917 113.4 43.1 -61.5 -34.3 13.2 8.1 29.6 104 104 A L H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.890 111.0 55.0 -76.6 -37.5 10.4 6.1 31.1 105 105 A E H X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.963 112.7 41.8 -59.0 -50.9 12.8 3.6 32.7 106 106 A T H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 5,-0.3 0.884 110.9 56.7 -65.5 -37.2 14.7 6.4 34.5 107 107 A W H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 3,-0.3 0.968 106.2 51.6 -58.5 -47.0 11.4 8.3 35.5 108 108 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.926 111.3 47.1 -56.5 -41.7 10.2 5.2 37.2 109 109 A E H X S+ 0 0 3 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.771 113.3 46.9 -70.1 -29.4 13.4 4.9 39.2 110 110 A T H X S+ 0 0 1 -4,-2.1 4,-3.1 -3,-0.3 -1,-0.2 0.867 112.7 51.1 -78.2 -38.2 13.5 8.6 40.2 111 111 A W H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.3 -2,-0.2 0.959 111.3 45.8 -63.0 -53.7 9.9 8.4 41.2 112 112 A A H >X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.3 3,-0.6 0.949 113.0 51.2 -58.5 -46.3 10.4 5.4 43.3 113 113 A F H >X S+ 0 0 9 -4,-1.7 4,-1.6 1,-0.3 3,-0.5 0.947 104.6 57.0 -56.4 -45.3 13.4 7.0 44.8 114 114 A S H 3X S+ 0 0 5 -4,-3.1 4,-1.4 1,-0.3 -1,-0.3 0.860 105.1 53.1 -54.3 -33.8 11.4 10.1 45.5 115 115 A E H X S+ 0 0 0 -4,-2.9 3,-0.8 2,-0.2 4,-0.6 0.976 117.3 47.8 -64.9 -52.0 8.3 12.9 62.0 126 126 A I H >X S+ 0 0 0 -4,-3.9 3,-3.2 1,-0.3 4,-1.5 0.970 108.1 51.6 -54.0 -64.6 7.4 9.8 63.9 127 127 A R H 3< S+ 0 0 116 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.707 112.1 50.6 -45.4 -22.7 10.6 9.5 65.8 128 128 A N H << S+ 0 0 36 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.522 113.2 40.0-100.7 0.5 10.3 13.0 66.9 129 129 A I H << S+ 0 0 7 -3,-3.2 2,-0.3 -4,-0.6 -2,-0.2 0.605 110.9 46.7-121.5 -12.2 6.8 13.0 68.2 130 130 A V S < S- 0 0 32 -4,-1.5 -1,-0.1 -5,-0.2 -71,-0.0 -0.829 73.4-126.7-124.4 163.1 6.3 9.8 70.0 131 131 A N S S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.761 101.0 25.1 -82.8 -22.7 8.5 8.0 72.6 132 132 A D >> - 0 0 83 1,-0.1 3,-2.1 -6,-0.1 4,-0.6 -0.799 60.9-166.0-144.2 97.6 8.7 4.7 70.7 133 133 A P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.698 81.3 80.3 -53.9 -21.8 8.2 4.7 67.0 134 134 A S H 3> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.730 86.7 56.0 -58.5 -27.3 7.7 0.9 67.2 135 135 A V H <> S+ 0 0 98 -3,-2.1 4,-2.6 3,-0.2 -1,-0.2 0.951 111.1 42.4 -72.0 -48.1 4.2 1.3 68.2 136 136 A V H X S+ 0 0 5 -4,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.994 120.4 41.3 -58.1 -65.5 3.3 3.3 65.3 137 137 A F H X S+ 0 0 2 -4,-2.5 4,-1.1 1,-0.3 3,-0.2 0.858 114.7 50.9 -53.1 -43.5 5.3 1.2 62.7 138 138 A D H >X S+ 0 0 62 -4,-2.1 4,-1.2 -5,-0.3 3,-0.7 0.959 109.2 53.5 -61.8 -43.8 4.2 -2.1 64.3 139 139 A D H 3X S+ 0 0 41 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.802 96.7 66.4 -59.2 -29.8 0.6 -0.8 64.1 140 140 A I H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 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X S+ 0 0 1 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.902 105.9 54.2 -62.0 -38.3 -3.0 15.7 52.7 213 213 A A H X S+ 0 0 1 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.928 107.8 49.2 -62.4 -44.9 -6.3 17.4 53.6 214 214 A C H >X S+ 0 0 2 -4,-2.2 4,-0.9 2,-0.2 3,-0.7 0.958 113.8 46.6 -58.8 -46.3 -6.3 15.7 56.9 215 215 A S H >X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.3 3,-0.7 0.929 111.8 50.9 -60.1 -49.4 -2.7 16.8 57.6 216 216 A F H 3X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -1,-0.3 0.706 92.6 72.8 -66.9 -17.4 -3.3 20.2 56.5 217 217 A A H S+ 0 0 1 -4,-0.9 5,-2.0 -3,-0.7 3,-1.4 0.897 106.0 56.6 -65.9 -43.0 -3.9 20.8 61.6 219 219 A A H ><5S+ 0 0 5 -4,-1.1 3,-2.0 1,-0.3 -1,-0.2 0.882 101.0 58.2 -56.4 -39.0 -1.6 23.2 59.9 220 220 A E H 3<5S+ 0 0 89 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.738 102.2 55.0 -61.8 -25.4 -4.5 25.6 59.5 221 221 A R T <<5S- 0 0 79 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.283 120.4-112.7 -90.7 8.7 -4.7 25.5 63.3 222 222 A E T < 5S+ 0 0 143 -3,-2.0 3,-0.3 1,-0.3 2,-0.3 0.662 79.9 127.0 67.8 14.8 -1.1 26.5 63.5 223 223 A L < + 0 0 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-69.6 -19.6 24.4 14.3 51.2 387 46 B F T 3< S+ 0 0 51 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.452 77.8 141.6 -92.2 0.2 26.4 13.8 48.0 388 47 B F < + 0 0 38 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.1 -0.086 23.9 168.3 -45.8 131.1 23.5 14.5 45.6 389 48 B W - 0 0 12 185,-0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.972 32.4-130.7-147.0 160.3 24.6 16.5 42.6 390 49 B R > - 0 0 82 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.949 9.8-149.3-118.9 114.2 23.3 17.6 39.2 391 50 B P G > S+ 0 0 1 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.847 97.6 61.4 -44.5 -46.6 25.5 17.0 36.1 392 51 B E G 3 S+ 0 0 87 1,-0.3 4,-0.1 3,-0.0 70,-0.0 0.814 90.9 68.5 -56.2 -28.8 24.1 20.1 34.3 393 52 B E G < S+ 0 0 124 -3,-2.0 2,-0.5 2,-0.1 -1,-0.3 0.535 88.0 82.8 -70.4 -2.0 25.4 22.1 37.2 394 53 B V S < S- 0 0 11 -3,-2.8 2,-0.4 -4,-0.2 173,-0.1 -0.911 81.3-130.7-107.8 125.2 28.9 21.3 35.8 395 54 B D + 0 0 95 -2,-0.5 175,-0.1 1,-0.1 3,-0.1 -0.584 32.6 165.7 -74.8 123.5 30.4 23.4 32.9 396 55 B V >> + 0 0 4 -2,-0.4 3,-1.6 1,-0.1 4,-0.7 0.143 35.7 123.6-123.7 15.3 31.8 21.2 30.1 397 56 B S T 34 S+ 0 0 72 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.859 75.5 42.8 -44.7 -48.7 31.9 24.1 27.6 398 57 B R T 3> S+ 0 0 191 1,-0.2 4,-1.4 2,-0.1 -1,-0.3 0.498 90.5 81.0 -85.6 -2.6 35.7 23.7 26.9 399 58 B D H <> S+ 0 0 4 -3,-1.6 4,-4.2 1,-0.2 5,-0.2 0.851 83.8 66.7 -69.9 -31.3 36.0 19.9 26.6 400 59 B R H X S+ 0 0 78 -4,-0.7 4,-2.7 -3,-0.5 -1,-0.2 0.936 105.4 37.9 -52.5 -55.7 34.7 20.0 23.1 401 60 B I H > S+ 0 0 94 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.890 118.0 53.5 -66.1 -36.7 37.8 21.9 21.6 402 61 B D H X S+ 0 0 33 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.946 110.2 46.3 -63.0 -45.6 40.0 19.8 24.0 403 62 B Y H < S+ 0 0 27 -4,-4.2 3,-0.5 1,-0.2 -2,-0.2 0.937 114.6 48.0 -59.5 -47.9 38.5 16.7 22.6 404 63 B Q H < S+ 0 0 118 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.786 108.5 51.8 -64.2 -33.5 38.8 17.9 19.1 405 64 B A H < S+ 0 0 84 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.709 88.1 110.5 -78.6 -17.9 42.5 19.0 19.4 406 65 B L S < S- 0 0 10 -4,-1.2 2,-0.1 -3,-0.5 -3,-0.0 -0.108 82.6-100.5 -53.2 154.0 43.4 15.6 20.8 407 66 B P >> - 0 0 60 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.483 38.5-109.1 -72.9 150.7 45.5 13.4 18.7 408 67 B E H 3> S+ 0 0 141 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.896 118.8 50.7 -49.7 -50.1 43.4 10.7 17.1 409 68 B H H 3> S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.860 111.6 50.5 -58.9 -33.3 44.6 7.8 19.1 410 69 B E H <> S+ 0 0 3 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.841 105.3 54.8 -72.6 -34.9 43.9 9.9 22.2 411 70 B K H X S+ 0 0 22 -4,-2.1 4,-2.4 -3,-0.2 5,-0.2 0.927 109.7 50.2 -61.4 -42.4 40.3 10.7 21.1 412 71 B H H X S+ 0 0 59 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.905 108.2 50.7 -60.2 -48.3 39.8 7.0 20.8 413 72 B I H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.930 113.7 45.3 -58.6 -46.8 41.2 6.3 24.3 414 73 B F H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.916 116.3 42.7 -65.3 -46.0 39.0 8.9 25.8 415 74 B I H X S+ 0 0 13 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.812 111.6 53.1 -74.6 -31.1 35.8 8.0 24.1 416 75 B S H X S+ 0 0 10 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.935 112.2 46.6 -67.9 -43.1 36.2 4.2 24.4 417 76 B N H X S+ 0 0 3 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.925 113.0 48.8 -61.0 -46.6 36.7 4.7 28.1 418 77 B L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.949 109.3 53.3 -60.4 -44.2 33.7 7.0 28.2 419 78 B K H X S+ 0 0 22 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.885 109.6 49.2 -57.6 -37.9 31.6 4.5 26.2 420 79 B Y H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.943 109.4 49.5 -67.1 -48.5 32.6 1.8 28.8 421 80 B Q H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.964 111.1 53.1 -53.0 -51.3 31.6 3.9 31.8 422 81 B T H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -396,-0.3 0.915 108.6 47.3 -51.7 -50.5 28.3 4.6 30.1 423 82 B L H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.957 111.2 52.1 -56.5 -52.5 27.6 0.9 29.5 424 83 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.875 111.5 45.7 -53.7 -44.1 28.4 0.1 33.1 425 84 B D H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.822 106.2 59.2 -73.0 -24.9 26.1 2.7 34.5 426 85 B S H X S+ 0 0 1 -4,-1.8 4,-1.0 -3,-0.4 5,-0.2 0.916 112.7 41.1 -66.3 -40.4 23.3 1.7 32.1 427 86 B I H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 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-0.990 73.4-137.0-127.9 138.6 15.6 -5.7 55.8 443 102 B P H > S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.764 98.0 58.4 -61.4 -37.6 14.5 -2.2 55.0 444 103 B E H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.907 112.1 43.5 -63.1 -35.2 17.8 -0.3 55.4 445 104 B L H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.910 111.2 55.2 -75.7 -38.0 19.3 -2.5 52.7 446 105 B E H X S+ 0 0 4 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.967 113.9 40.5 -58.5 -51.4 16.1 -2.2 50.5 447 106 B T H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.888 110.4 56.9 -68.6 -33.7 16.4 1.5 50.6 448 107 B W H X S+ 0 0 0 -4,-2.3 4,-3.6 -5,-0.3 5,-0.2 0.964 107.4 50.6 -59.9 -46.4 20.1 1.6 50.2 449 108 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.917 110.7 47.8 -57.9 -45.4 19.8 -0.4 47.0 450 109 B E H X S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.883 114.9 46.6 -66.1 -31.6 17.1 1.9 45.6 451 110 B T H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.936 112.6 48.8 -73.2 -44.7 19.3 4.9 46.5 452 111 B W H X S+ 0 0 1 -4,-3.6 4,-2.0 -5,-0.2 5,-0.2 0.972 112.6 48.0 -58.1 -52.8 22.4 3.4 45.1 453 112 B A H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.934 110.7 52.9 -55.8 -43.9 20.6 2.5 41.8 454 113 B F H >X S+ 0 0 10 -4,-2.1 4,-1.4 -5,-0.3 3,-0.9 0.957 105.4 53.0 -57.9 -48.4 19.2 6.1 41.7 455 114 B S H 3X S+ 0 0 5 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.867 104.7 57.5 -56.9 -32.1 22.7 7.6 42.0 456 115 B E H 3X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.880 100.7 55.9 -69.0 -30.9 23.7 5.4 39.1 457 116 B T H < S+ 0 0 0 -4,-2.4 3,-0.9 2,-0.2 4,-0.2 0.985 116.2 46.9 -65.8 -58.5 29.3 15.1 28.5 467 126 B I H >X S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 4,-1.9 0.911 108.6 56.6 -50.9 -48.2 28.7 13.4 25.2 468 127 B R H 3< S+ 0 0 112 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.841 108.9 47.6 -50.5 -40.0 26.2 16.0 24.2 469 128 B N T << S+ 0 0 54 -4,-1.1 -69,-0.3 -3,-0.9 -1,-0.3 0.330 116.4 38.9 -90.7 10.4 28.8 18.6 24.7 470 129 B I T <4 S+ 0 0 1 -3,-2.2 2,-0.3 -4,-0.2 -2,-0.2 0.589 106.8 51.3-130.2 -20.7 31.7 17.0 22.8 471 130 B V < - 0 0 24 -4,-1.9 -1,-0.1 -5,-0.2 -71,-0.0 -0.796 69.1-131.3-118.7 162.6 30.4 15.3 19.7 472 131 B N S S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.918 101.2 27.4 -76.8 -44.8 28.2 16.5 16.8 473 132 B D >> - 0 0 79 1,-0.1 3,-2.4 -6,-0.0 4,-0.6 -0.868 64.1-167.6-122.7 98.4 25.9 13.6 16.9 474 133 B P H >> S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.844 84.7 73.2 -50.2 -35.2 25.5 11.8 20.2 475 134 B S H 3> S+ 0 0 25 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.818 87.6 61.6 -52.8 -31.1 23.8 9.0 18.4 476 135 B V H <> S+ 0 0 97 -3,-2.4 4,-0.9 2,-0.2 -1,-0.3 0.949 110.0 39.6 -62.8 -40.3 27.1 7.9 17.0 477 136 B V H XX S+ 0 0 6 -3,-1.0 3,-0.7 -4,-0.6 4,-0.7 0.957 117.1 48.9 -68.9 -52.6 28.5 7.3 20.5 478 137 B F H >X S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 4,-0.8 0.860 107.8 53.5 -59.4 -37.9 25.3 5.8 21.9 479 138 B D H 3X S+ 0 0 53 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.832 105.3 55.3 -70.1 -24.6 24.8 3.4 19.1 480 139 B D H S+ 0 0 124 -2,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.862 93.1 52.1 -53.4 -40.8 32.9 -5.7 20.2 486 145 B Q H > S+ 0 0 46 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.903 110.7 47.0 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1,-0.2 -107,-0.0 -0.573 63.8-175.5 -94.4 67.7 39.9 10.2 44.3 681 340 B V 0 0 79 -2,-1.4 -1,-0.2 -3,-0.2 -4,-0.1 0.676 360.0 360.0 -36.1 -23.0 38.8 12.7 47.0 682 341 B S 0 0 88 -3,-0.1 -3,-0.0 -106,-0.0 -102,-0.0 -0.877 360.0 360.0-103.9 360.0 38.0 9.6 49.0