==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JUN-02 1H0O . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.R.STRAND,S.KARLSEN,K.K.ANDERSSON . 288 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 76.4 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 . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.8 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 2 0 0 1 1 0 0 0 1 0 0 1 0 0 1 0 1 0 0 0 0 0 1 1 2 0 0 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 65 A N 0 0 189 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 71.1 -89.8 -4.7 58.4 2 66 A P + 0 0 113 0, 0.0 2,-1.5 0, 0.0 3,-0.5 0.868 360.0 2.0 -74.7-102.0 -90.9 -5.5 61.9 3 67 A S S S+ 0 0 46 1,-0.2 216,-0.2 2,-0.1 3,-0.1 -0.446 88.0 124.3 -89.0 62.8 -88.4 -4.8 64.7 4 68 A V > + 0 0 43 -2,-1.5 3,-1.9 -3,-0.2 7,-0.2 0.735 60.1 70.2 -90.7 -26.8 -85.7 -3.3 62.4 5 69 A E T 3 S+ 0 0 147 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.687 92.4 60.5 -63.8 -19.2 -85.5 -0.0 64.3 6 70 A D T 3 S+ 0 0 94 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.297 82.1 100.3 -91.9 10.0 -83.8 -1.9 67.1 7 71 A E X> - 0 0 10 -3,-1.9 4,-4.0 1,-0.2 3,-0.7 -0.848 57.6-162.0-100.8 107.0 -81.0 -3.0 64.9 8 72 A P T 34 S+ 0 0 34 0, 0.0 5,-0.2 0, 0.0 -1,-0.2 0.817 93.8 51.7 -53.3 -31.5 -77.9 -0.8 65.4 9 73 A L T 34 S+ 0 0 0 207,-0.5 82,-2.1 1,-0.1 83,-0.8 0.825 125.4 21.4 -76.6 -33.3 -76.6 -2.1 62.0 10 74 A L T <4 S+ 0 0 28 -3,-0.7 -1,-0.1 -6,-0.2 -5,-0.1 0.711 89.2 115.5-108.3 -29.1 -79.7 -1.3 60.0 11 75 A R S < S- 0 0 74 -4,-4.0 2,-2.3 -7,-0.2 80,-0.1 -0.129 73.4-119.9 -47.0 135.5 -81.6 1.4 62.0 12 76 A E S S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 -0.423 75.2 121.5 -79.5 65.6 -81.8 4.7 60.1 13 77 A N + 0 0 105 -2,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.235 35.4 102.7-110.5 11.6 -79.9 6.6 62.8 14 78 A P + 0 0 24 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 0.973 24.0 150.6 -56.7 -79.5 -76.9 7.9 60.7 15 79 A R S S+ 0 0 258 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 0.808 77.1 59.5 50.2 26.0 -77.9 11.5 60.1 16 80 A R + 0 0 71 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.411 59.4 174.9-141.3 -65.4 -74.1 11.7 60.1 17 81 A F + 0 0 108 74,-0.2 2,-0.1 1,-0.1 -2,-0.1 0.759 41.8 133.3 47.7 28.4 -72.5 9.5 57.4 18 82 A V - 0 0 66 1,-0.1 -1,-0.1 -4,-0.1 75,-0.1 -0.331 47.2-146.6 -90.3-177.6 -69.2 11.1 58.5 19 83 A V S S+ 0 0 66 -2,-0.1 -1,-0.1 -3,-0.1 75,-0.1 0.783 74.3 56.3-121.2 -62.4 -66.2 8.8 59.1 20 84 A F S S+ 0 0 171 1,-0.3 2,-4.1 2,-0.1 -2,-0.0 0.749 85.1 83.2 -50.1 -32.2 -63.5 9.4 61.7 21 85 A P S S- 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.105 79.8-170.7 -68.9 50.5 -66.0 9.5 64.6 22 86 A I + 0 0 27 -2,-4.1 3,-0.2 1,-0.1 -2,-0.1 -0.152 23.3 178.4 -47.7 125.5 -65.7 5.7 64.4 23 87 A E S S+ 0 0 113 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.769 73.7 45.1 -99.9 -34.7 -68.2 3.9 66.6 24 88 A Y > + 0 0 33 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 -0.844 57.0 175.1-116.8 96.2 -67.2 0.3 65.7 25 89 A H H > S+ 0 0 125 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.804 80.8 60.8 -69.0 -28.8 -63.5 -0.2 65.7 26 90 A D H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.920 110.7 40.1 -63.8 -42.9 -63.9 -4.0 65.1 27 91 A I H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.913 116.0 50.5 -71.1 -45.0 -65.7 -3.3 61.8 28 92 A W H X S+ 0 0 46 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.929 107.4 54.2 -59.6 -45.4 -63.3 -0.4 60.9 29 93 A Q H X S+ 0 0 135 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.870 106.5 52.4 -57.3 -37.6 -60.3 -2.7 61.6 30 94 A M H X S+ 0 0 39 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.914 108.9 49.9 -63.9 -43.8 -61.7 -5.2 59.2 31 95 A Y H X S+ 0 0 35 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.888 108.9 51.5 -61.8 -40.4 -62.0 -2.6 56.6 32 96 A K H X S+ 0 0 88 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.818 107.5 54.0 -66.8 -31.6 -58.4 -1.5 57.1 33 97 A K H X S+ 0 0 121 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.929 110.5 46.0 -66.7 -45.9 -57.3 -5.1 56.7 34 98 A A H >< S+ 0 0 7 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.909 109.9 54.2 -63.0 -43.9 -59.1 -5.2 53.4 35 99 A E H >< S+ 0 0 78 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.890 107.3 50.3 -57.5 -43.7 -57.6 -1.9 52.2 36 100 A A H 3< S+ 0 0 90 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.590 104.9 59.3 -73.3 -10.8 -54.1 -3.0 52.9 37 101 A S T << S+ 0 0 12 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.316 77.5 138.5 -98.9 6.8 -54.7 -6.2 50.9 38 102 A F < + 0 0 104 -3,-1.3 2,-0.3 -4,-0.1 -3,-0.1 -0.204 20.8 158.8 -56.8 139.1 -55.5 -4.3 47.8 39 103 A W - 0 0 5 159,-0.0 2,-0.3 66,-0.0 69,-0.1 -0.962 28.7-136.2-154.2 161.3 -54.1 -5.7 44.5 40 104 A T > - 0 0 36 -2,-0.3 3,-1.7 1,-0.1 4,-0.1 -0.869 26.3-117.3-120.8 157.7 -54.9 -5.4 40.8 41 105 A A G > S+ 0 0 2 -2,-0.3 3,-2.9 1,-0.3 -1,-0.1 0.849 111.3 70.6 -61.3 -35.3 -55.0 -8.1 38.2 42 106 A E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.669 88.0 67.8 -55.8 -16.9 -52.1 -6.4 36.3 43 107 A E G < S+ 0 0 116 -3,-1.7 2,-0.6 2,-0.1 -1,-0.3 0.495 84.4 81.2 -82.9 -5.8 -50.0 -7.6 39.3 44 108 A V S < S- 0 0 10 -3,-2.9 2,-0.6 -4,-0.1 147,-0.1 -0.910 77.6-140.1-105.5 119.0 -50.4 -11.2 38.2 45 109 A D + 0 0 108 -2,-0.6 3,-0.1 1,-0.1 4,-0.1 -0.671 31.0 164.2 -81.1 115.5 -48.0 -12.3 35.5 46 110 A L > + 0 0 22 -2,-0.6 3,-0.7 1,-0.1 4,-0.5 0.277 43.5 109.7-111.4 7.1 -49.8 -14.6 33.0 47 111 A S T 3 S+ 0 0 102 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.186 87.7 36.9 -70.5 19.7 -47.2 -14.3 30.2 48 112 A K T >> S+ 0 0 132 -3,-0.1 4,-0.9 2,-0.0 3,-0.8 0.474 90.6 82.3-144.4 -16.4 -46.2 -17.9 30.9 49 113 A D H <> S+ 0 0 1 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.640 74.9 78.4 -71.8 -13.9 -49.3 -19.9 31.8 50 114 A I H 34 S+ 0 0 79 -4,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.885 97.4 45.2 -61.7 -37.0 -50.2 -20.4 28.1 51 115 A Q H X> S+ 0 0 99 -3,-0.8 4,-1.9 2,-0.2 3,-1.2 0.908 110.0 53.8 -72.1 -42.8 -47.5 -23.2 27.9 52 116 A H H 3X S+ 0 0 56 -4,-0.9 4,-1.2 1,-0.3 -2,-0.2 0.872 101.9 58.8 -59.5 -38.0 -48.6 -24.8 31.2 53 117 A W H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.736 106.8 50.2 -64.4 -21.4 -52.1 -25.1 29.9 54 118 A E H <4 S+ 0 0 123 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.925 105.1 52.0 -81.1 -51.6 -50.7 -27.1 27.0 55 119 A A H < S+ 0 0 94 -4,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.718 94.1 103.6 -57.6 -21.0 -48.7 -29.6 29.1 56 120 A L S < S- 0 0 10 -4,-1.2 -3,-0.0 -5,-0.2 132,-0.0 -0.134 78.3-110.6 -60.9 159.3 -51.9 -30.1 31.0 57 121 A K > - 0 0 124 1,-0.1 4,-2.6 193,-0.0 5,-0.3 -0.596 24.5-110.0 -92.6 156.7 -54.0 -33.3 30.5 58 122 A P H > S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.884 119.6 47.1 -50.4 -46.4 -57.4 -33.3 28.8 59 123 A D H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.866 111.6 51.9 -66.4 -36.0 -59.2 -34.2 32.1 60 124 A E H > S+ 0 0 14 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.963 109.1 46.9 -66.1 -52.0 -57.3 -31.5 33.9 61 125 A R H X S+ 0 0 71 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.895 110.0 56.6 -56.2 -39.2 -58.1 -28.7 31.5 62 126 A H H X S+ 0 0 76 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.925 110.4 43.6 -57.1 -46.3 -61.7 -29.9 31.6 63 127 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.946 117.0 45.2 -65.1 -50.5 -61.7 -29.4 35.4 64 128 A I H X S+ 0 0 1 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.955 110.8 50.8 -60.3 -54.5 -60.0 -26.1 35.4 65 129 A S H X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.881 114.3 46.4 -51.9 -41.6 -62.0 -24.5 32.6 66 130 A H H X S+ 0 0 24 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.864 112.0 49.5 -70.0 -37.6 -65.2 -25.5 34.4 67 131 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.913 112.3 48.6 -67.4 -42.5 -63.9 -24.3 37.8 68 132 A L H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.906 109.1 52.7 -62.9 -43.6 -63.0 -20.9 36.2 69 133 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.922 107.0 52.4 -58.2 -45.5 -66.3 -20.6 34.5 70 134 A F H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.852 112.9 46.5 -59.0 -34.3 -68.0 -21.2 37.8 71 135 A F H X S+ 0 0 2 -4,-1.5 4,-1.6 2,-0.2 5,-0.3 0.863 101.0 63.5 -76.2 -38.3 -65.8 -18.4 39.2 72 136 A A H < S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.760 116.5 32.1 -58.0 -24.5 -66.5 -16.0 36.3 73 137 A A H >X S+ 0 0 12 -4,-1.1 4,-1.9 -5,-0.2 3,-1.5 0.873 110.7 59.1 -98.2 -53.0 -70.1 -15.9 37.4 74 138 A S H 3X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.3 5,-0.3 0.882 101.4 56.6 -45.0 -50.8 -70.1 -16.4 41.1 75 139 A D H 3X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.833 109.3 48.7 -52.9 -33.7 -68.1 -13.2 41.7 76 140 A G H <> S+ 0 0 33 -3,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.915 107.2 52.9 -73.1 -45.0 -70.8 -11.4 39.8 77 141 A I H X S+ 0 0 14 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.915 111.9 46.7 -55.1 -47.3 -73.7 -12.9 41.8 78 142 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.938 111.0 52.4 -60.3 -49.5 -72.0 -11.8 45.0 79 143 A N H X S+ 0 0 21 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.904 107.3 50.9 -55.2 -48.2 -71.3 -8.3 43.7 80 144 A E H X S+ 0 0 88 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.925 109.7 50.9 -58.9 -43.9 -74.9 -7.7 42.6 81 145 A N H X>S+ 0 0 0 -4,-1.8 5,-1.1 1,-0.2 4,-0.6 0.923 111.1 48.1 -59.1 -45.4 -76.1 -8.7 46.1 82 146 A L H <>S+ 0 0 2 -4,-2.3 5,-2.1 3,-0.2 6,-0.3 0.874 116.0 44.8 -64.0 -36.9 -73.7 -6.3 47.7 83 147 A V H <5S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.958 121.9 32.3 -73.5 -52.7 -74.7 -3.5 45.4 84 148 A E H <5S+ 0 0 93 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.223 136.0 11.7 -92.5 16.2 -78.5 -3.8 45.4 85 149 A R T >X5S+ 0 0 24 -4,-0.6 4,-3.1 -3,-0.2 3,-1.1 0.232 119.1 38.7-146.8 -85.5 -78.8 -5.1 49.0 86 150 A F H 3> - 0 0 9 -83,-0.8 4,-2.3 1,-0.1 3,-0.3 -0.677 65.6-142.2 -80.3 121.2 -73.3 2.0 59.7 93 157 A T H > S+ 0 0 12 -2,-0.5 4,-2.0 1,-0.2 5,-0.1 0.846 97.8 53.2 -49.2 -48.3 -70.4 4.0 58.1 94 158 A E H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 111.4 46.5 -57.8 -44.9 -67.7 1.4 59.0 95 159 A A H > S+ 0 0 0 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.896 109.0 54.7 -66.0 -41.4 -69.7 -1.4 57.4 96 160 A R H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.862 107.1 52.0 -60.1 -36.7 -70.4 0.7 54.3 97 161 A C H X S+ 0 0 36 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.933 110.6 46.8 -66.5 -44.4 -66.7 1.3 53.9 98 162 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.946 114.4 47.2 -62.7 -47.4 -65.9 -2.5 54.1 99 163 A Y H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.885 108.4 55.5 -62.2 -37.6 -68.7 -3.3 51.6 100 164 A G H X S+ 0 0 42 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.927 111.9 44.0 -61.2 -40.7 -67.6 -0.6 49.3 101 165 A F H X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.923 109.1 55.7 -70.4 -41.6 -64.1 -2.1 49.2 102 166 A Q H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.921 105.9 53.4 -55.4 -44.6 -65.4 -5.7 48.8 103 167 A I H X S+ 0 0 32 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.959 109.4 47.1 -55.8 -52.3 -67.3 -4.6 45.8 104 168 A A H X S+ 0 0 42 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.890 113.5 48.5 -57.1 -43.0 -64.2 -3.1 44.1 105 169 A M H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.857 107.1 55.6 -69.1 -32.9 -62.2 -6.3 45.0 106 170 A E H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.870 106.8 50.5 -65.8 -36.4 -64.9 -8.6 43.6 107 171 A N H X S+ 0 0 84 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.837 109.7 50.2 -70.0 -31.1 -64.7 -6.7 40.3 108 172 A I H X S+ 0 0 22 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.878 110.0 51.5 -71.7 -36.6 -60.9 -7.2 40.3 109 173 A H H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.945 109.0 50.3 -63.8 -45.5 -61.6 -10.9 41.0 110 174 A S H X S+ 0 0 25 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.930 111.3 48.0 -56.4 -47.9 -64.0 -11.0 38.0 111 175 A E H X S+ 0 0 83 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.903 109.8 53.4 -59.9 -42.7 -61.4 -9.4 35.8 112 176 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.935 110.5 46.1 -59.8 -46.9 -58.7 -11.8 37.0 113 177 A Y H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.878 113.1 48.2 -64.8 -39.6 -60.9 -14.8 36.2 114 178 A S H X S+ 0 0 44 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.841 110.6 53.2 -68.6 -32.1 -61.8 -13.6 32.7 115 179 A L H X S+ 0 0 68 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.897 108.7 49.8 -67.7 -41.7 -58.2 -12.8 32.1 116 180 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.949 110.9 48.5 -61.9 -51.5 -57.3 -16.4 33.0 117 181 A I H X S+ 0 0 0 -4,-2.3 4,-3.7 1,-0.2 3,-0.3 0.950 110.4 50.7 -54.9 -52.5 -59.9 -17.9 30.7 118 182 A D H < S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 109.4 52.5 -53.8 -38.8 -58.8 -15.7 27.8 119 183 A T H < S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.8 34.1 -65.8 -41.0 -55.2 -16.8 28.4 120 184 A Y H < S+ 0 0 9 -4,-2.0 2,-0.8 -3,-0.3 -2,-0.2 0.854 120.6 47.0 -84.7 -39.2 -56.0 -20.5 28.3 121 185 A I < + 0 0 7 -4,-3.7 -1,-0.2 -5,-0.2 6,-0.1 -0.864 56.5 169.5-108.8 98.5 -58.8 -20.5 25.8 122 186 A K + 0 0 178 -2,-0.8 -1,-0.1 -3,-0.2 -4,-0.1 0.636 55.0 97.3 -81.2 -14.1 -57.8 -18.5 22.7 123 187 A D >> - 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