==== 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 OXIDOREDUCTASE 19-MAY-10 3N38 . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 2 SUBUNIT BE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.K.BOAL,J.A.COTRUVO JR.,J.STUBBE,A.C.ROSENZWEIG . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 78.4 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 . 0 0.0 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 1 1 0 0 0 0 2 2 1 0 0 0 1 0 0 0 0 1 0 0 0 0 1 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A I 0 0 227 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 124.0 18.2 9.5 -38.0 2 7 A S - 0 0 113 3,-0.0 2,-0.1 1,-0.0 3,-0.1 -0.912 360.0 -93.7-123.4 148.4 20.3 11.8 -40.2 3 8 A A - 0 0 102 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.386 49.9-114.8 -55.8 128.7 23.9 13.1 -39.9 4 9 A I - 0 0 74 -2,-0.1 2,-0.5 76,-0.1 -1,-0.1 -0.381 24.2-152.5 -68.6 146.7 23.7 16.6 -38.3 5 10 A N > - 0 0 71 3,-0.2 3,-1.2 1,-0.1 76,-0.1 -0.933 14.3-174.6-126.3 107.3 24.8 19.5 -40.4 6 11 A W T 3 S+ 0 0 67 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.455 84.3 65.8 -80.6 0.2 26.2 22.5 -38.6 7 12 A N T 3 S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.282 95.6 59.7-100.5 6.2 26.4 24.5 -41.9 8 13 A K S < S+ 0 0 161 -3,-1.2 2,-0.4 0, 0.0 -1,-0.2 -0.607 74.3 173.6-128.7 69.5 22.6 24.4 -42.2 9 14 A I - 0 0 39 -3,-0.3 3,-0.2 1,-0.1 -3,-0.1 -0.669 18.2-172.2 -80.9 124.4 21.6 26.3 -39.0 10 15 A S S S+ 0 0 95 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.747 81.4 31.7 -90.0 -24.0 17.9 27.0 -38.7 11 16 A D >> - 0 0 26 1,-0.1 3,-2.0 0, 0.0 4,-0.7 -0.924 68.2-155.1-134.6 110.7 18.2 29.1 -35.6 12 17 A D H 3> S+ 0 0 131 -2,-0.4 4,-2.4 1,-0.3 3,-0.3 0.765 92.4 70.3 -50.3 -31.2 21.4 31.2 -35.2 13 18 A K H 3> S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.847 91.2 59.1 -57.6 -36.2 20.8 31.1 -31.4 14 19 A D H <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.916 109.5 42.1 -59.5 -45.9 21.7 27.4 -31.3 15 20 A L H X S+ 0 0 64 -4,-0.7 4,-2.7 -3,-0.3 -2,-0.2 0.897 113.2 53.4 -69.4 -41.0 25.2 28.0 -32.8 16 21 A E H X S+ 0 0 74 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 114.5 40.9 -57.3 -47.2 25.7 31.1 -30.5 17 22 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.908 112.0 54.9 -73.6 -41.7 24.9 29.1 -27.4 18 23 A W H X S+ 0 0 80 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.951 113.2 44.3 -48.9 -52.3 26.8 26.0 -28.6 19 24 A N H X S+ 0 0 82 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.901 113.4 49.6 -63.2 -43.0 29.8 28.2 -29.0 20 25 A R H X S+ 0 0 108 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.946 115.7 41.6 -60.7 -50.4 29.4 30.1 -25.7 21 26 A L H < S+ 0 0 1 -4,-2.8 3,-0.4 2,-0.2 -2,-0.2 0.898 116.4 46.1 -69.8 -43.2 29.0 26.9 -23.6 22 27 A T H >< S+ 0 0 45 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.890 111.9 51.1 -68.8 -38.7 31.7 24.8 -25.2 23 28 A S H 3< S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.599 106.2 58.3 -75.0 -9.8 34.2 27.7 -25.1 24 29 A N T 3< S+ 0 0 23 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.173 78.0 143.7 -96.9 14.5 33.4 28.1 -21.4 25 30 A F < + 0 0 105 -3,-1.5 2,-0.3 1,-0.0 -3,-0.1 -0.266 19.7 158.9 -56.0 137.2 34.4 24.5 -20.7 26 31 A W - 0 0 12 156,-0.0 -2,-0.1 66,-0.0 69,-0.0 -0.962 28.0-149.9-151.4 164.9 36.1 24.0 -17.3 27 32 A L > - 0 0 64 -2,-0.3 3,-2.0 1,-0.0 4,-0.3 -0.978 30.6-117.4-135.7 151.8 36.9 21.3 -14.7 28 33 A P G > S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 5,-0.3 0.788 111.2 68.4 -61.8 -26.0 37.2 21.7 -10.9 29 34 A E G 3 S+ 0 0 116 1,-0.3 4,-0.0 3,-0.1 -3,-0.0 0.737 89.5 65.3 -61.9 -24.0 40.9 20.6 -11.1 30 35 A K G < S+ 0 0 157 -3,-2.0 -1,-0.3 2,-0.1 0, 0.0 0.616 90.2 76.7 -72.4 -15.0 41.6 23.8 -13.0 31 36 A V S < S- 0 0 15 -3,-1.8 2,-2.4 -4,-0.3 3,-0.2 -0.866 85.1-131.2 -99.9 128.5 40.8 25.8 -9.8 32 37 A P > + 0 0 64 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.410 41.3 163.2 -77.7 70.4 43.4 25.8 -7.0 33 38 A L G > + 0 0 9 -2,-2.4 3,-2.5 -5,-0.3 143,-0.2 0.804 62.1 71.4 -57.9 -33.6 40.9 24.9 -4.3 34 39 A S G > S+ 0 0 67 1,-0.3 3,-1.5 -3,-0.2 -1,-0.3 0.727 83.2 71.1 -61.6 -21.9 43.6 23.8 -1.9 35 40 A N G < S+ 0 0 107 -3,-1.6 4,-0.4 1,-0.3 -1,-0.3 0.538 88.1 65.8 -67.6 -8.4 44.6 27.5 -1.4 36 41 A D G <> S+ 0 0 3 -3,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.472 72.9 93.6 -89.3 -5.4 41.3 27.9 0.5 37 42 A I H <> S+ 0 0 66 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.921 84.0 49.5 -57.1 -46.5 42.4 25.7 3.3 38 43 A P H > S+ 0 0 84 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.948 113.5 45.5 -57.6 -50.4 43.7 28.6 5.5 39 44 A A H >> S+ 0 0 19 -4,-0.4 3,-1.0 1,-0.2 4,-0.6 0.899 108.8 57.3 -59.3 -41.8 40.5 30.6 5.1 40 45 A W H >< S+ 0 0 13 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.895 101.6 56.4 -53.5 -42.6 38.4 27.5 5.8 41 46 A Q H 3< S+ 0 0 121 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.744 100.8 58.5 -63.4 -25.3 40.3 27.2 9.1 42 47 A T H << S+ 0 0 78 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.578 86.9 97.0 -82.6 -11.6 39.2 30.7 10.1 43 48 A L S << S- 0 0 11 -3,-1.4 2,-0.1 -4,-0.6 -3,-0.0 -0.488 79.9-113.0 -75.8 148.6 35.4 29.9 9.8 44 49 A T > - 0 0 73 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.340 28.1-108.3 -71.9 161.8 33.4 28.9 12.8 45 50 A V H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 123.1 51.5 -57.9 -39.5 32.0 25.4 13.2 46 51 A V H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 110.9 46.9 -63.3 -44.7 28.5 26.8 12.5 47 52 A E H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.879 111.8 51.0 -65.2 -40.1 29.8 28.5 9.3 48 53 A Q H X S+ 0 0 31 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.903 110.8 48.6 -63.2 -42.4 31.6 25.4 8.2 49 54 A Q H X S+ 0 0 73 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.906 109.6 52.4 -64.6 -44.4 28.4 23.3 8.7 50 55 A L H X S+ 0 0 6 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.914 108.5 51.5 -54.7 -46.8 26.3 25.8 6.8 51 56 A T H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.921 110.9 46.0 -60.9 -46.8 28.7 25.7 3.9 52 57 A M H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.894 114.4 48.4 -66.3 -39.3 28.6 21.9 3.6 53 58 A R H X S+ 0 0 57 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.916 112.0 49.3 -64.2 -45.3 24.8 21.8 3.9 54 59 A V H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.949 111.9 49.2 -54.6 -50.6 24.5 24.5 1.3 55 60 A F H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.824 106.9 52.8 -67.4 -34.6 26.8 22.7 -1.1 56 61 A T H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.883 108.1 53.2 -66.8 -34.8 25.1 19.3 -0.8 57 62 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.902 109.7 47.4 -64.0 -41.9 21.8 21.0 -1.7 58 63 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.880 109.2 55.0 -65.9 -37.4 23.4 22.5 -4.8 59 64 A T H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.905 105.3 52.6 -61.1 -44.9 24.8 19.1 -5.7 60 65 A L H X S+ 0 0 54 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.922 110.2 47.7 -55.7 -48.4 21.3 17.5 -5.5 61 66 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.889 113.2 47.0 -64.5 -41.6 20.0 20.1 -8.0 62 67 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.890 112.2 50.6 -64.3 -41.5 22.9 19.7 -10.4 63 68 A T H X S+ 0 0 58 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.950 111.1 49.7 -59.4 -49.5 22.5 15.9 -10.2 64 69 A L H X>S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 5,-2.2 0.901 112.1 46.8 -52.4 -47.8 18.7 16.4 -10.9 65 70 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 -1,-0.2 0.851 115.6 46.5 -68.6 -35.0 19.4 18.6 -13.9 66 71 A N H <5S+ 0 0 41 -4,-2.4 -2,-0.2 27,-0.2 -1,-0.2 0.947 123.0 31.3 -67.8 -50.5 22.1 16.2 -15.3 67 72 A V H <5S+ 0 0 94 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.867 141.4 4.7 -81.8 -38.3 20.1 13.0 -14.9 68 73 A I T X5S+ 0 0 28 -4,-2.6 4,-1.8 -5,-0.4 -3,-0.2 0.828 119.4 56.3-116.0 -50.6 16.5 14.2 -15.4 69 74 A G H >>4 S+ 0 0 45 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.856 103.0 60.4 -58.9 -32.5 17.5 15.0 -20.9 72 77 A S H 3< S+ 0 0 18 -4,-1.8 -2,-0.2 -3,-0.3 4,-0.2 0.736 101.9 53.8 -67.7 -20.7 13.8 15.6 -20.4 73 78 A L H X< S+ 0 0 1 -3,-1.0 3,-1.3 -4,-0.8 -1,-0.2 0.674 87.4 83.8 -83.7 -18.4 14.0 18.6 -22.7 74 79 A M G X< S+ 0 0 48 -3,-0.9 3,-1.8 -4,-0.7 -1,-0.2 0.888 84.3 53.4 -58.0 -47.5 15.6 16.6 -25.6 75 80 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.708 109.5 52.9 -59.9 -17.9 12.3 15.2 -27.1 76 81 A D G < S+ 0 0 38 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.303 78.5 130.8-101.5 5.2 11.0 18.7 -27.3 77 82 A A < - 0 0 25 -3,-1.8 -3,-0.0 -4,-0.2 4,-0.0 -0.323 48.9-151.7 -61.8 141.7 13.9 20.3 -29.2 78 83 A L S S+ 0 0 69 1,-0.1 -1,-0.1 2,-0.0 3,-0.0 0.739 79.1 24.4 -82.7 -27.3 13.0 22.4 -32.3 79 84 A T S > S- 0 0 10 1,-0.1 4,-1.5 -68,-0.0 3,-0.2 -0.926 76.1-118.8-136.6 157.1 16.3 21.6 -34.1 80 85 A P H > S+ 0 0 63 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.785 115.3 59.1 -67.3 -23.2 19.0 18.9 -34.1 81 86 A H H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.857 102.1 52.8 -72.3 -34.8 21.5 21.6 -33.0 82 87 A E H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 104.9 55.8 -63.4 -42.7 19.5 22.3 -29.9 83 88 A E H X S+ 0 0 99 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.887 109.1 47.0 -54.0 -43.1 19.6 18.5 -29.1 84 89 A A H X S+ 0 0 21 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.889 109.8 51.9 -67.6 -42.2 23.4 18.8 -29.2 85 90 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.916 107.1 54.7 -58.6 -42.6 23.4 21.9 -27.0 86 91 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.828 103.5 55.3 -61.3 -32.4 21.2 20.0 -24.5 87 92 A S H X S+ 0 0 68 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.878 109.3 47.0 -66.5 -38.9 23.9 17.2 -24.5 88 93 A N H X S+ 0 0 21 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.918 111.3 51.0 -65.8 -45.3 26.5 19.7 -23.5 89 94 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.949 110.3 49.6 -57.7 -49.4 24.2 21.2 -20.8 90 95 A S H X S+ 0 0 17 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.913 113.0 46.8 -55.6 -46.1 23.6 17.7 -19.4 91 96 A F H X S+ 0 0 97 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.917 109.9 52.0 -63.7 -44.0 27.3 17.0 -19.3 92 97 A M H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.840 103.9 58.5 -67.4 -28.9 28.2 20.4 -17.7 93 98 A E H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.881 104.8 50.8 -60.9 -39.4 25.6 19.7 -15.0 94 99 A A H X S+ 0 0 34 -4,-1.3 4,-2.6 -3,-0.3 -2,-0.2 0.887 109.3 50.5 -63.9 -39.8 27.6 16.5 -14.1 95 100 A V H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.922 110.4 50.4 -61.1 -45.8 30.8 18.7 -14.0 96 101 A H H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 3,-0.3 0.967 112.5 45.7 -54.9 -54.8 28.9 21.1 -11.6 97 102 A A H >X S+ 0 0 12 -4,-2.7 4,-0.9 1,-0.2 3,-0.8 0.915 112.4 51.7 -54.7 -47.1 27.8 18.2 -9.3 98 103 A R H >X S+ 0 0 119 -4,-2.6 4,-1.4 1,-0.2 3,-0.5 0.848 99.7 64.2 -59.0 -36.9 31.3 16.7 -9.4 99 104 A S H 3X S+ 0 0 0 -4,-2.1 4,-1.8 -3,-0.3 -1,-0.2 0.798 94.2 59.4 -64.3 -30.1 32.9 20.0 -8.4 100 105 A Y H > - 0 0 128 -2,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.714 30.0-129.8 -82.2 135.6 36.3 16.2 7.1 110 115 A T H 3> S+ 0 0 101 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.855 106.5 57.7 -56.1 -39.7 34.5 13.2 5.7 111 116 A K H 3> S+ 0 0 165 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.862 110.5 44.4 -59.6 -35.6 32.4 12.7 8.8 112 117 A D H <> S+ 0 0 63 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.830 112.1 51.3 -77.4 -35.7 31.1 16.3 8.4 113 118 A V H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 110.1 49.7 -66.4 -45.2 30.5 15.9 4.7 114 119 A D H X S+ 0 0 98 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.888 108.6 53.1 -61.0 -41.1 28.5 12.7 5.3 115 120 A A H X S+ 0 0 60 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.908 109.2 49.8 -57.5 -43.1 26.4 14.4 7.9 116 121 A A H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.902 109.3 50.3 -66.6 -42.0 25.6 17.2 5.4 117 122 A Y H X S+ 0 0 83 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.930 112.0 48.5 -58.2 -45.1 24.5 14.7 2.7 118 123 A A H X S+ 0 0 58 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.884 108.7 54.0 -62.5 -38.1 22.3 13.0 5.3 119 124 A W H X S+ 0 0 54 -4,-2.2 4,-1.3 1,-0.2 3,-0.4 0.918 106.5 52.0 -62.5 -44.9 20.8 16.4 6.3 120 125 A S H < S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 105.6 54.5 -59.6 -37.7 19.9 17.1 2.6 121 126 A E H < S+ 0 0 129 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 116.4 38.8 -64.2 -30.8 18.1 13.8 2.3 122 127 A E H < S+ 0 0 163 -4,-1.2 2,-0.5 -3,-0.4 -2,-0.2 0.553 86.4 112.5 -96.9 -12.5 16.0 14.8 5.4 123 128 A N X - 0 0 7 -4,-1.3 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0.906 109.9 49.5 -74.9 -42.9 39.0 30.0 -4.9 176 181 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.915 111.0 51.7 -55.7 -44.5 35.8 28.2 -4.1 177 182 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.875 105.6 53.9 -62.2 -40.4 34.0 31.4 -5.1 178 183 A D H X S+ 0 0 69 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.899 110.3 48.2 -57.1 -43.8 35.9 31.4 -8.5 179 184 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 3,-0.2 0.919 110.5 50.2 -61.4 -46.8 34.6 27.9 -9.0 180 185 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.878 106.1 56.3 -61.9 -37.1 31.1 28.9 -8.1 181 186 A R H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.860 105.1 52.5 -62.8 -35.2 31.3 31.8 -10.6 182 187 A L H X S+ 0 0 36 -4,-1.4 4,-1.4 -3,-0.2 -1,-0.2 0.896 109.8 48.2 -64.4 -42.4 32.2 29.2 -13.3 183 188 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 3,-0.4 0.949 112.9 48.4 -60.5 -47.7 29.0 27.3 -12.4 184 189 A I H X S+ 0 0 20 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.882 103.7 59.9 -62.4 -40.2 27.0 30.5 -12.4 185 190 A R H X S+ 0 0 101 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.878 112.5 40.7 -54.8 -38.8 28.4 31.5 -15.8 186 191 A D H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.4 3,-0.4 0.953 113.5 51.2 -71.7 -53.8 26.9 28.2 -17.1 187 192 A E H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.859 106.8 55.2 -55.1 -39.2 23.6 28.3 -15.3 188 193 A A H X S+ 0 0 49 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.886 111.7 42.8 -63.5 -41.0 22.9 31.9 -16.5 189 194 A V H X S+ 0 0 16 -4,-0.9 4,-3.1 -3,-0.4 5,-0.2 0.896 112.8 54.0 -68.9 -42.0 23.3 30.8 -20.2 190 195 A H H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.934 111.5 44.4 -56.1 -49.4 21.3 27.6 -19.6 191 196 A G H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.882 114.9 49.3 -63.3 -40.6 18.4 29.7 -18.1 192 197 A Y H X S+ 0 0 84 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.927 114.6 44.3 -62.8 -46.3 18.6 32.2 -20.9 193 198 A Y H X S+ 0 0 2 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.927 115.6 44.4 -68.7 -47.7 18.7 29.6 -23.7 194 199 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.873 114.6 51.7 -65.8 -36.5 15.9 27.3 -22.3 195 200 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 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5,-0.0 -4,-0.4 -3,-0.0 -0.433 81.8 -87.8 -97.0 164.6 0.3 28.0 -29.3 206 211 A S > - 0 0 72 -2,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.096 31.5-115.6 -64.8 159.2 -3.1 29.5 -28.8 207 212 A L H > S+ 0 0 141 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.863 116.5 53.1 -60.4 -38.5 -3.9 32.8 -27.0 208 213 A G H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 108.6 47.1 -64.4 -45.4 -5.8 30.9 -24.3 209 214 A Q H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.870 107.1 58.0 -68.3 -35.7 -2.9 28.5 -23.6 210 215 A R H X S+ 0 0 92 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.923 109.4 45.4 -56.1 -45.2 -0.4 31.4 -23.4 211 216 A E H X S+ 0 0 124 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.888 111.1 51.9 -66.6 -40.8 -2.5 32.9 -20.7 212 217 A E H X S+ 0 0 138 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.900 112.5 47.1 -60.4 -41.4 -2.9 29.6 -18.8 213 218 A L H X S+ 0 0 3 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.879 109.1 52.1 -70.2 -40.6 0.9 29.2 -18.9 214 219 A K H X S+ 0 0 69 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 113.1 46.0 -58.9 -46.1 1.7 32.8 -17.7 215 220 A S H X S+ 0 0 58 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