==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-AUG-13 4M1F . 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 . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 78.2 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 . 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 . 184 64.8 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 2 0 1 0 0 0 0 2 2 0 1 0 0 0 1 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 5 A R 0 0 282 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.5 -14.9 -7.7 -39.6 2 6 A I - 0 0 168 1,-0.0 2,-0.3 3,-0.0 0, 0.0 -0.439 360.0-163.0 -61.8 132.2 -18.0 -9.2 -37.9 3 7 A S - 0 0 95 -2,-0.2 2,-0.1 3,-0.0 3,-0.1 -0.928 28.4 -96.3-119.9 146.3 -19.9 -11.6 -40.2 4 8 A A - 0 0 101 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.383 47.3-114.9 -56.6 126.3 -23.5 -13.0 -39.9 5 9 A I - 0 0 75 -2,-0.1 2,-0.5 76,-0.1 -1,-0.1 -0.351 24.9-154.6 -65.0 145.2 -23.4 -16.4 -38.3 6 10 A N > - 0 0 68 3,-0.2 3,-1.2 1,-0.1 76,-0.1 -0.931 14.1-175.4-128.1 107.0 -24.5 -19.3 -40.4 7 11 A W T 3 S+ 0 0 66 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.427 83.8 65.7 -83.5 0.3 -25.8 -22.4 -38.5 8 12 A N T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.272 96.1 59.5-100.8 7.3 -26.1 -24.3 -41.8 9 13 A K S < S+ 0 0 157 -3,-1.2 2,-0.4 0, 0.0 -1,-0.2 -0.592 74.2 173.0-125.7 69.7 -22.3 -24.3 -42.1 10 14 A I - 0 0 38 -3,-0.3 3,-0.2 1,-0.1 -3,-0.1 -0.657 18.6-171.7 -79.7 124.6 -21.3 -26.0 -38.9 11 15 A S S S+ 0 0 96 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.698 81.5 32.5 -90.2 -20.2 -17.5 -26.7 -38.7 12 16 A D >> - 0 0 24 1,-0.1 3,-2.1 0, 0.0 4,-0.7 -0.898 68.6-154.8-137.1 112.2 -17.9 -28.9 -35.5 13 17 A D H 3> S+ 0 0 124 -2,-0.4 4,-2.2 1,-0.3 3,-0.2 0.735 91.9 69.2 -53.7 -29.3 -21.0 -30.9 -35.0 14 18 A K H 3> S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.820 91.3 60.4 -58.4 -34.3 -20.5 -30.9 -31.3 15 19 A D H <> S+ 0 0 0 -3,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.916 109.8 40.9 -60.6 -44.2 -21.3 -27.1 -31.2 16 20 A L H X S+ 0 0 62 -4,-0.7 4,-2.7 -3,-0.2 -2,-0.2 0.879 113.6 53.3 -71.5 -40.9 -24.8 -27.8 -32.6 17 21 A E H X S+ 0 0 71 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 114.9 40.7 -58.1 -47.7 -25.3 -30.9 -30.5 18 22 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.912 111.9 55.5 -73.7 -41.5 -24.5 -28.9 -27.3 19 23 A W H X S+ 0 0 79 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.959 113.4 43.4 -48.5 -52.8 -26.4 -25.8 -28.5 20 24 A N H X S+ 0 0 80 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.897 113.7 49.4 -64.1 -42.9 -29.5 -28.0 -28.9 21 25 A R H X S+ 0 0 100 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.945 116.2 42.0 -61.6 -48.9 -29.0 -29.9 -25.6 22 26 A L H < S+ 0 0 1 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.907 117.2 45.2 -68.7 -42.4 -28.6 -26.7 -23.5 23 27 A T H >< S+ 0 0 46 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.2 0.895 111.9 51.1 -71.5 -38.5 -31.3 -24.7 -25.2 24 28 A S H 3< S+ 0 0 94 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.746 106.8 58.1 -68.7 -20.9 -33.9 -27.5 -25.1 25 29 A N T 3< S+ 0 0 29 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.197 77.5 142.1 -90.5 15.3 -33.0 -27.9 -21.4 26 30 A F < + 0 0 88 -3,-1.5 2,-0.3 1,-0.0 -3,-0.1 -0.297 20.7 157.5 -57.8 138.6 -34.0 -24.2 -20.6 27 31 A W - 0 0 8 156,-0.0 -2,-0.0 66,-0.0 69,-0.0 -0.960 28.8-147.8-153.6 166.1 -35.8 -23.8 -17.2 28 32 A L > - 0 0 57 -2,-0.3 3,-1.9 1,-0.0 4,-0.2 -0.968 29.8-117.7-136.0 151.8 -36.5 -21.2 -14.6 29 33 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 5,-0.4 0.807 110.6 68.7 -62.7 -26.0 -36.9 -21.5 -10.9 30 34 A E G 3 S+ 0 0 127 1,-0.3 4,-0.0 3,-0.1 70,-0.0 0.701 90.0 63.9 -62.5 -21.6 -40.5 -20.3 -11.1 31 35 A K G < S+ 0 0 133 -3,-1.9 -1,-0.3 2,-0.1 0, 0.0 0.553 90.5 77.8 -78.8 -8.8 -41.3 -23.6 -12.9 32 36 A V S < S- 0 0 15 -3,-1.9 2,-2.5 -4,-0.2 3,-0.2 -0.897 84.6-131.7-102.6 127.3 -40.4 -25.6 -9.8 33 37 A P > + 0 0 64 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.365 41.7 162.1 -76.9 67.7 -43.1 -25.6 -7.0 34 38 A L G > + 0 0 9 -2,-2.5 3,-2.6 -5,-0.4 143,-0.2 0.790 61.8 71.9 -57.2 -33.8 -40.5 -24.7 -4.3 35 39 A S G > S+ 0 0 68 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.749 83.3 71.0 -60.4 -23.1 -43.2 -23.6 -1.8 36 40 A N G < S+ 0 0 106 -3,-1.7 4,-0.4 1,-0.3 -1,-0.3 0.563 88.2 65.5 -66.6 -8.5 -44.2 -27.3 -1.4 37 41 A D G <> S+ 0 0 3 -3,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.468 73.2 93.5 -89.1 -2.7 -40.9 -27.7 0.5 38 42 A I H <> S+ 0 0 67 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.926 83.9 50.0 -58.0 -46.6 -42.1 -25.4 3.3 39 43 A P H > S+ 0 0 84 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.945 113.1 45.3 -57.4 -49.9 -43.4 -28.4 5.4 40 44 A A H >4 S+ 0 0 20 -4,-0.4 3,-1.2 1,-0.2 4,-0.4 0.879 108.9 57.2 -60.8 -39.4 -40.1 -30.4 5.1 41 45 A W H >< S+ 0 0 12 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.892 101.2 57.3 -55.7 -41.3 -38.1 -27.2 5.8 42 46 A Q H 3< S+ 0 0 127 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.690 100.5 58.2 -65.1 -19.4 -39.9 -26.9 9.1 43 47 A T T << S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.534 87.1 97.1 -87.8 -8.5 -38.8 -30.4 10.1 44 48 A L S < S- 0 0 10 -3,-1.4 2,-0.1 -4,-0.4 -3,-0.0 -0.516 78.6-114.9 -78.6 149.1 -35.1 -29.5 9.8 45 49 A T > - 0 0 75 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.351 28.1-107.2 -76.1 164.5 -33.1 -28.6 12.9 46 50 A V H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 123.2 51.2 -58.9 -42.5 -31.7 -25.1 13.2 47 51 A V H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 111.1 47.4 -60.8 -42.6 -28.2 -26.5 12.6 48 52 A E H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.842 111.5 50.6 -66.9 -36.9 -29.4 -28.2 9.4 49 53 A Q H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 111.2 48.2 -66.8 -44.0 -31.2 -25.1 8.2 50 54 A Q H X S+ 0 0 73 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.918 110.0 52.8 -59.9 -48.4 -28.0 -23.0 8.7 51 55 A L H X S+ 0 0 6 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.922 109.2 49.7 -51.1 -48.8 -26.0 -25.6 6.9 52 56 A T H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.896 111.2 47.0 -63.5 -43.1 -28.3 -25.4 3.9 53 57 A M H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.901 114.2 48.4 -67.7 -39.7 -28.3 -21.6 3.6 54 58 A R H X S+ 0 0 52 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.910 111.6 49.5 -63.1 -45.8 -24.5 -21.6 3.9 55 59 A V H X S+ 0 0 1 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.938 112.5 48.3 -56.5 -48.2 -24.2 -24.3 1.3 56 60 A F H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.858 107.1 53.4 -69.2 -35.2 -26.5 -22.4 -1.0 57 61 A T H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.888 108.7 52.5 -64.9 -34.8 -24.8 -19.0 -0.7 58 62 A G H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.906 109.3 47.6 -64.0 -44.9 -21.5 -20.7 -1.6 59 63 A L H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.886 108.9 55.3 -63.0 -39.2 -23.0 -22.2 -4.8 60 64 A T H X S+ 0 0 13 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.914 105.2 53.2 -59.6 -44.9 -24.5 -18.8 -5.7 61 65 A L H X S+ 0 0 56 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.918 110.1 46.9 -55.3 -47.0 -21.0 -17.3 -5.5 62 66 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.899 113.1 47.5 -67.1 -41.6 -19.6 -19.8 -7.9 63 67 A D H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.901 112.6 50.6 -63.1 -42.1 -22.5 -19.5 -10.4 64 68 A T H X S+ 0 0 57 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.916 110.8 49.0 -60.3 -46.1 -22.1 -15.7 -10.2 65 69 A L H X>S+ 0 0 12 -4,-2.6 4,-2.7 -5,-0.2 5,-2.2 0.911 112.1 48.3 -58.3 -44.6 -18.4 -16.0 -10.8 66 70 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.9 3,-0.2 -2,-0.2 0.859 115.4 44.8 -68.3 -35.1 -19.0 -18.3 -13.8 67 71 A N H <5S+ 0 0 43 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.949 123.0 33.8 -68.0 -51.7 -21.6 -15.9 -15.3 68 72 A V H <5S+ 0 0 91 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.876 140.8 2.7 -78.7 -39.7 -19.7 -12.7 -14.8 69 73 A I T X5S+ 0 0 24 -4,-2.7 4,-1.8 -5,-0.3 -3,-0.2 0.805 120.5 55.9-116.8 -49.0 -16.1 -13.8 -15.3 70 74 A G H >>4 S+ 0 0 43 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.869 102.5 60.0 -58.7 -34.6 -17.1 -14.7 -20.8 73 77 A S H 3< S+ 0 0 18 -4,-1.8 -2,-0.2 -3,-0.3 4,-0.2 0.731 102.3 54.3 -66.9 -21.0 -13.3 -15.3 -20.4 74 78 A L H X< S+ 0 0 1 -3,-1.0 3,-1.3 -4,-0.9 -1,-0.3 0.688 87.7 82.3 -82.1 -19.3 -13.6 -18.3 -22.6 75 79 A M G X< S+ 0 0 47 -3,-1.1 3,-1.9 -4,-0.6 -1,-0.2 0.897 84.8 54.2 -59.1 -45.8 -15.2 -16.4 -25.5 76 80 A P G 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.722 108.4 52.7 -60.1 -18.9 -12.0 -14.9 -27.0 77 81 A D G < S+ 0 0 38 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.293 78.5 131.3-101.8 6.1 -10.6 -18.4 -27.3 78 82 A A < - 0 0 25 -3,-1.9 -3,-0.0 -4,-0.2 4,-0.0 -0.305 49.2-151.3 -60.3 143.1 -13.5 -20.0 -29.2 79 83 A L S S+ 0 0 63 1,-0.1 -1,-0.1 2,-0.0 3,-0.0 0.685 79.1 26.2 -84.4 -22.8 -12.6 -22.1 -32.3 80 84 A T S > S- 0 0 9 1,-0.1 4,-1.6 -68,-0.0 -1,-0.1 -0.958 75.0-120.1-139.9 155.3 -16.0 -21.4 -34.0 81 85 A P H > S+ 0 0 64 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.835 114.9 58.3 -64.7 -26.3 -18.7 -18.7 -34.0 82 86 A H H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.893 102.6 52.5 -70.8 -38.0 -21.2 -21.4 -32.9 83 87 A E H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 105.0 56.5 -58.9 -43.2 -19.1 -22.1 -29.8 84 88 A E H X S+ 0 0 96 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.897 108.6 46.7 -55.0 -42.2 -19.2 -18.4 -29.1 85 89 A A H X S+ 0 0 23 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.889 109.7 52.2 -67.4 -43.6 -23.0 -18.6 -29.1 86 90 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 106.9 55.4 -57.8 -40.7 -23.1 -21.7 -26.9 87 91 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.856 103.4 53.9 -62.4 -34.8 -20.9 -19.7 -24.5 88 92 A S H X S+ 0 0 69 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.865 110.0 48.1 -65.8 -36.9 -23.5 -16.9 -24.3 89 93 A N H X S+ 0 0 21 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.926 111.0 50.3 -66.9 -44.3 -26.1 -19.5 -23.4 90 94 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.950 111.1 49.1 -57.6 -49.4 -23.8 -21.0 -20.7 91 95 A S H X S+ 0 0 17 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.920 112.6 47.6 -56.8 -47.0 -23.2 -17.5 -19.3 92 96 A F H X S+ 0 0 101 -4,-2.1 4,-1.8 1,-0.2 3,-0.4 0.926 110.3 51.2 -62.0 -43.8 -26.9 -16.8 -19.2 93 97 A M H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.838 103.5 59.3 -68.8 -27.5 -27.8 -20.1 -17.6 94 98 A E H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.885 105.0 49.9 -62.6 -38.0 -25.2 -19.5 -14.9 95 99 A A H X S+ 0 0 33 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.867 109.3 51.7 -66.3 -36.5 -27.2 -16.3 -14.0 96 100 A V H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.932 109.7 49.7 -63.1 -44.4 -30.4 -18.5 -13.9 97 101 A H H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 3,-0.2 0.958 112.9 46.2 -57.6 -52.2 -28.6 -20.9 -11.5 98 102 A A H >X S+ 0 0 11 -4,-2.6 4,-0.9 1,-0.2 3,-0.7 0.908 111.2 51.7 -56.4 -46.0 -27.5 -18.0 -9.3 99 103 A R H 3X S+ 0 0 121 -4,-2.5 4,-1.4 1,-0.2 3,-0.4 0.847 99.9 66.0 -60.9 -34.6 -31.0 -16.5 -9.4 100 104 A S H 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.811 93.6 57.8 -60.7 -34.3 -32.5 -19.8 -8.3 101 105 A Y H > - 0 0 129 -2,-0.1 4,-2.2 1,-0.1 3,-0.6 -0.747 29.0-130.2 -85.8 137.3 -36.0 -16.0 7.1 111 115 A T H 3> S+ 0 0 101 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.868 106.3 57.4 -58.0 -39.6 -34.2 -13.0 5.7 112 116 A K H 3> S+ 0 0 161 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.881 110.6 44.1 -60.5 -38.4 -32.1 -12.5 8.9 113 117 A D H <> S+ 0 0 60 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.858 111.8 52.1 -73.1 -38.3 -30.7 -16.1 8.5 114 118 A V H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.929 110.0 49.2 -63.8 -44.2 -30.1 -15.7 4.7 115 119 A D H X S+ 0 0 96 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.883 108.5 53.3 -62.8 -39.7 -28.2 -12.5 5.3 116 120 A A H X S+ 0 0 60 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.906 109.5 49.6 -59.4 -40.6 -26.1 -14.2 8.0 117 121 A A H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.917 108.8 50.7 -67.5 -44.2 -25.3 -16.9 5.5 118 122 A Y H X S+ 0 0 83 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.947 112.8 47.5 -53.2 -48.9 -24.2 -14.4 2.8 119 123 A A H X S+ 0 0 56 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.885 109.0 53.9 -62.6 -39.4 -21.9 -12.7 5.4 120 124 A W H X S+ 0 0 55 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.892 107.4 50.9 -60.9 -42.1 -20.5 -16.1 6.4 121 125 A S H < 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A H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.936 113.4 46.8 -60.7 -45.5 -13.1 -18.4 -5.9 132 136 A Q H X S+ 0 0 90 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.919 110.4 51.2 -62.2 -48.0 -9.7 -16.7 -5.9 133 137 A I H X S+ 0 0 5 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.911 114.8 42.6 -58.8 -45.3 -7.8 -19.6 -7.5 134 138 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.2 0.912 113.0 52.7 -68.3 -42.6 -10.3 -20.0 -10.3 135 139 A Q H X S+ 0 0 63 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.884 103.0 59.0 -61.7 -40.3 -10.6 -16.3 -10.9 136 140 A Q H X S+ 0 0 105 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.877 108.4 44.7 -56.2 -42.2 -6.8 -16.0 -11.2 137 141 A H H >< S+ 0 0 42 -4,-1.2 3,-0.6 -3,-0.2 5,-0.3 0.881 110.7 53.3 -72.5 -38.4 -6.8 -18.4 -14.1 138 142 A Y H 3< S+ 0 0 7 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.823 112.3 46.1 -61.6 -33.0 -9.8 -16.7 -15.8 139 143 A R H 3< S+ 0 0 171 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.546 100.4 92.1 -85.1 -11.1 -7.9 -13.3 -15.5 140 144 A G S << S- 0 0 37 -3,-0.6 -3,-0.1 -4,-0.5 6,-0.0 0.026 83.0-117.1 -74.3-172.7 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215 A R H X S+ 0 0 84 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.908 108.0 47.1 -56.2 -43.1 0.8 -30.9 -23.2 212 216 A E H X S+ 0 0 122 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.922 111.1 51.2 -66.9 -41.8 3.0 -32.5 -20.5 213 217 A E H X S+ 0 0 134 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.871 111.4 48.4 -58.7 -40.0 3.2 -29.2 -18.6 214 218 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.847 109.0 51.0 -74.6 -37.8 -0.5 -28.8 -18.7 215 219 A K H X S+ 0 0 77 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.953 113.3 46.6 -60.4 -49.5 -1.4 -32.3 -17.5 216 220 A S H X S+ 0 0 65 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.912 113.3 49.3 -60.6 -42.2 1.0 -31.8 -14.7 217 221 A F H X S+ 0 0 37 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.895 109.5 52.5 -61.2 -40.7 -0.6 -28.4 -14.0 218 222 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.927 110.7 46.5 -64.9 -44.7 -4.1 -29.9 -14.1 219 223 A F H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.921 113.9 48.3 -61.5 -46.3 -3.2 -32.6 -11.5 220 224 A D H X S+ 0 0 99 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.885 112.4 48.6 -61.7 -42.6 -1.5 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