==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-08 2VUX . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT M2 B . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WELIN,M.MOCHE,J.ANDERSSON,C.H.ARROWSMITH,H.BERGLUND,R.D.BU . 527 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 74.0 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 . 11 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 1 3 1 0 0 0 4 4 1 0 1 0 2 0 2 0 0 0 0 1 1 0 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 30 A N 0 0 154 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.0 18.8 -4.0 -30.5 2 31 A E + 0 0 129 4,-0.0 5,-0.0 204,-0.0 0, 0.0 0.575 360.0 80.2 -69.5 -15.0 19.1 -0.2 -29.8 3 32 A E S >> S- 0 0 12 1,-0.1 4,-1.2 202,-0.1 3,-0.5 -0.828 76.4-146.6-102.8 128.5 21.1 -1.6 -26.9 4 33 A P T 34 S+ 0 0 35 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.846 102.5 50.0 -55.7 -36.9 24.7 -2.8 -27.2 5 34 A L T 34 S+ 0 0 2 198,-0.4 73,-2.9 1,-0.2 74,-0.6 0.789 116.3 41.8 -72.6 -25.7 24.1 -5.5 -24.5 6 35 A L T <4 S+ 0 0 41 -3,-0.5 2,-0.3 71,-0.2 -1,-0.2 0.547 84.4 111.4-102.1 -10.5 21.0 -6.9 -26.3 7 36 A R < 0 0 132 -4,-1.2 71,-0.0 -3,-0.2 -5,-0.0 -0.514 360.0 360.0 -84.6 132.8 21.7 -6.9 -30.0 8 37 A K 0 0 231 -2,-0.3 -1,-0.1 71,-0.0 0, 0.0 0.985 360.0 360.0 -73.8 360.0 22.1 -10.1 -32.1 9 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 10 43 A V 0 0 99 0, 0.0 364,-0.1 0, 0.0 330,-0.0 0.000 360.0 360.0 360.0 77.7 35.8 -15.8 -31.8 11 44 A I + 0 0 25 362,-0.1 4,-0.2 69,-0.1 70,-0.1 0.814 360.0 115.0 -41.7 -41.8 35.5 -14.3 -28.3 12 45 A F + 0 0 40 2,-0.1 2,-0.1 362,-0.1 3,-0.0 -0.410 51.9 43.6 -82.5 158.0 39.0 -12.9 -28.7 13 46 A P S S- 0 0 66 0, 0.0 2,-0.3 0, 0.0 365,-0.0 0.864 93.9-125.4 -59.6 157.9 40.0 -10.1 -28.8 14 47 A I - 0 0 37 1,-0.2 -2,-0.1 -2,-0.1 -3,-0.0 -0.548 21.3-169.0 -77.2 131.5 37.9 -8.8 -25.9 15 48 A Q S S+ 0 0 153 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.815 84.1 42.3 -85.0 -37.5 35.7 -5.9 -26.8 16 49 A Y > + 0 0 52 1,-0.2 4,-2.2 2,-0.0 3,-0.5 -0.756 63.9 177.0-116.8 79.4 34.8 -5.2 -23.1 17 50 A P H > S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.805 81.2 52.6 -48.6 -36.2 37.9 -5.6 -20.9 18 51 A D H > S+ 0 0 60 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.829 109.1 46.4 -81.9 -30.9 36.0 -4.6 -17.8 19 52 A I H > S+ 0 0 0 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.878 117.3 48.2 -63.8 -41.4 33.1 -7.1 -18.2 20 53 A W H X S+ 0 0 27 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.866 103.2 59.0 -70.4 -37.4 35.9 -9.6 -18.9 21 54 A K H X S+ 0 0 147 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.861 105.6 51.1 -60.1 -33.8 38.0 -8.6 -15.9 22 55 A M H X S+ 0 0 42 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.793 107.3 51.7 -76.6 -32.9 35.0 -9.5 -13.7 23 56 A Y H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.931 109.9 50.6 -61.1 -48.9 34.6 -12.9 -15.3 24 57 A K H X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.827 108.5 52.0 -59.1 -32.5 38.3 -13.4 -14.6 25 58 A Q H X S+ 0 0 99 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.889 106.9 53.6 -71.4 -38.4 37.8 -12.4 -11.0 26 59 A A H >< S+ 0 0 5 -4,-1.7 3,-0.7 2,-0.2 -2,-0.2 0.960 110.7 45.7 -56.4 -55.3 34.9 -15.0 -10.7 27 60 A Q H >< S+ 0 0 16 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.910 107.1 59.0 -54.2 -47.4 37.2 -17.8 -11.9 28 61 A A H 3< S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.3 46.8 -49.9 -36.1 40.0 -16.6 -9.6 29 62 A S T << S+ 0 0 26 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 -0.027 79.8 146.6-104.5 29.3 37.7 -17.1 -6.6 30 63 A F < + 0 0 41 -3,-1.8 2,-0.3 1,-0.0 -3,-0.1 -0.459 18.0 160.9 -67.0 135.5 36.3 -20.6 -7.5 31 64 A W - 0 0 4 -2,-0.2 2,-0.3 154,-0.0 64,-0.1 -0.893 28.7-137.8-144.6 175.8 35.5 -22.9 -4.6 32 65 A T > - 0 0 25 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 -0.975 30.1-115.2-135.2 150.3 33.5 -26.0 -3.6 33 66 A A G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.843 114.8 62.7 -56.4 -34.1 31.4 -26.8 -0.5 34 67 A E G 3 S+ 0 0 103 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.816 88.5 69.9 -57.1 -38.0 34.0 -29.6 0.4 35 68 A E G < S+ 0 0 116 -3,-1.3 2,-0.5 2,-0.1 -1,-0.3 0.690 84.1 86.2 -49.1 -27.2 36.8 -27.0 0.7 36 69 A V S < S- 0 0 9 -3,-1.5 2,-0.6 -4,-0.4 142,-0.1 -0.772 76.6-138.3 -92.1 126.1 35.1 -25.7 3.9 37 70 A D + 0 0 96 -2,-0.5 3,-0.2 1,-0.1 144,-0.1 -0.693 28.5 168.0 -87.7 115.9 35.9 -27.4 7.2 38 71 A L > + 0 0 27 -2,-0.6 3,-1.3 1,-0.1 4,-0.4 0.288 48.6 104.1-104.6 6.7 33.0 -28.0 9.5 39 72 A S T 3 S+ 0 0 91 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.733 80.1 48.1 -65.8 -24.0 34.8 -30.4 11.9 40 73 A K T 3 S+ 0 0 142 -3,-0.2 4,-0.4 1,-0.1 -1,-0.3 0.036 92.9 84.7-105.0 28.2 35.2 -27.9 14.7 41 74 A D <> + 0 0 1 -3,-1.3 4,-3.0 2,-0.1 3,-0.2 0.821 67.4 67.2-107.0 -38.8 31.6 -26.6 14.7 42 75 A L H > S+ 0 0 73 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.863 99.5 55.7 -57.5 -39.4 29.3 -28.8 16.9 43 76 A P H > S+ 0 0 83 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.942 113.1 41.2 -55.8 -46.9 31.2 -27.8 20.1 44 77 A H H >> S+ 0 0 61 -4,-0.4 3,-0.8 2,-0.2 4,-0.7 0.897 112.9 55.1 -66.1 -44.9 30.5 -24.1 19.3 45 78 A W H >< S+ 0 0 7 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.941 105.3 52.1 -50.2 -52.4 26.9 -25.0 18.2 46 79 A N H 3< S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.688 102.0 61.3 -62.1 -19.3 26.2 -26.7 21.5 47 80 A K H << S+ 0 0 150 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.689 86.7 96.4 -78.6 -19.7 27.4 -23.5 23.3 48 81 A L S << S- 0 0 13 -3,-1.6 2,-0.2 -4,-0.7 -3,-0.0 -0.318 77.1-117.6 -67.7 153.8 24.6 -21.5 21.7 49 82 A K >> - 0 0 133 1,-0.1 4,-2.5 -2,-0.0 3,-1.1 -0.556 29.1 -98.2 -94.3 159.1 21.3 -20.9 23.6 50 83 A A H 3> S+ 0 0 89 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.831 124.0 47.5 -40.3 -47.9 17.8 -22.0 22.6 51 84 A D H 3> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.833 112.5 47.8 -67.1 -35.4 17.0 -18.6 21.1 52 85 A E H <> S+ 0 0 24 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.829 111.1 51.0 -76.8 -33.8 20.2 -18.3 19.1 53 86 A K H X S+ 0 0 61 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.887 108.8 51.3 -67.8 -41.0 19.8 -21.8 17.7 54 87 A Y H X S+ 0 0 130 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.962 113.8 45.6 -57.9 -50.9 16.3 -21.1 16.6 55 88 A F H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.907 116.2 43.2 -58.0 -48.3 17.5 -18.0 14.8 56 89 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.959 113.6 50.0 -69.7 -48.8 20.6 -19.6 13.1 57 90 A S H X S+ 0 0 17 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.891 113.9 48.4 -57.5 -37.4 18.7 -22.7 12.1 58 91 A H H X S+ 0 0 20 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.917 108.6 49.1 -71.5 -44.1 16.0 -20.5 10.6 59 92 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.877 111.8 52.2 -65.9 -32.2 18.2 -18.0 8.6 60 93 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.943 107.6 51.3 -59.3 -49.4 20.0 -21.1 7.2 61 94 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.865 110.1 49.5 -58.2 -36.3 16.6 -22.6 6.2 62 95 A F H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.892 108.2 52.7 -73.1 -40.5 15.7 -19.3 4.4 63 96 A F H < S+ 0 0 14 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.919 114.3 44.3 -52.0 -46.1 19.1 -19.3 2.6 64 97 A A H < S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 109.6 54.4 -68.1 -43.3 18.2 -22.8 1.5 65 98 A A H < 0 0 29 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.892 360.0 360.0 -58.5 -41.6 14.6 -22.1 0.5 66 99 A S < 0 0 117 -4,-1.9 -3,-0.1 -5,-0.1 -4,-0.0 0.407 360.0 360.0 -13.4 360.0 15.6 -19.2 -1.8 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 106 A N > 0 0 143 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 39.3 16.5 -18.7 -11.6 69 107 A L H > + 0 0 39 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.720 360.0 70.5 -74.6 -23.9 16.7 -15.2 -13.1 70 108 A V H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 91.7 55.8 -65.0 -39.4 20.3 -15.7 -14.2 71 109 A E H > S+ 0 0 17 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.851 107.4 53.1 -61.0 -32.6 19.5 -18.2 -16.9 72 110 A R H X S+ 0 0 50 -4,-0.6 4,-1.9 -3,-0.2 -2,-0.2 0.880 109.7 45.4 -69.8 -42.9 17.1 -15.5 -18.3 73 111 A F H X S+ 0 0 1 -4,-1.6 4,-3.3 1,-0.2 -2,-0.2 0.900 107.5 57.9 -65.8 -42.0 19.8 -12.8 -18.5 74 112 A S H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 111.9 42.5 -59.6 -31.5 22.4 -15.2 -20.0 75 113 A Q H < S+ 0 0 96 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.885 117.8 45.5 -76.3 -44.0 20.0 -15.8 -22.9 76 114 A E H < S+ 0 0 55 -4,-1.9 2,-0.2 -5,-0.1 -2,-0.2 0.923 98.6 73.8 -70.5 -49.9 19.0 -12.2 -23.2 77 115 A V < - 0 0 0 -4,-3.3 -71,-0.2 1,-0.1 -72,-0.1 -0.504 61.4-168.0 -70.3 135.5 22.4 -10.6 -23.1 78 116 A Q + 0 0 61 -73,-2.9 -72,-0.1 -2,-0.2 -1,-0.1 0.506 51.1 106.4-106.3 -10.9 24.3 -11.2 -26.3 79 117 A V > - 0 0 11 -74,-0.6 4,-2.2 1,-0.1 3,-0.3 -0.617 63.4-144.8 -72.9 122.8 27.9 -10.1 -25.3 80 118 A P H > S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.854 97.7 59.2 -55.1 -37.4 30.1 -13.2 -24.9 81 119 A E H > S+ 0 0 3 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.923 109.5 42.9 -61.2 -44.8 32.0 -11.5 -22.0 82 120 A A H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.891 109.3 57.1 -66.0 -43.9 28.8 -11.2 -20.0 83 121 A R H X S+ 0 0 77 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.836 104.1 53.9 -59.2 -33.9 27.6 -14.6 -20.9 84 122 A C H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.896 108.1 49.8 -65.4 -39.9 30.8 -16.1 -19.4 85 123 A F H X S+ 0 0 3 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.902 111.0 48.4 -67.3 -40.8 30.2 -14.3 -16.2 86 124 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.857 107.9 55.3 -68.5 -34.8 26.6 -15.5 -16.0 87 125 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 280,-0.3 0.858 110.1 46.1 -63.1 -37.4 27.7 -19.1 -16.7 88 126 A F H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.874 110.5 54.0 -71.5 -35.2 30.1 -18.8 -13.7 89 127 A Q H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.930 104.2 54.2 -64.9 -45.0 27.3 -17.3 -11.6 90 128 A I H X S+ 0 0 7 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.949 113.4 44.2 -50.0 -51.3 25.0 -20.3 -12.4 91 129 A L H >X S+ 0 0 0 -4,-1.5 4,-1.4 272,-0.3 3,-0.6 0.923 111.4 49.4 -62.6 -51.2 27.7 -22.6 -11.1 92 130 A I H 3X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.848 106.3 58.5 -63.5 -32.2 28.7 -20.8 -8.0 93 131 A E H 3X S+ 0 0 44 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.851 104.1 51.9 -62.2 -36.6 25.0 -20.4 -7.0 94 132 A N H > S- 0 0 71 1,-0.1 4,-1.6 2,-0.0 3,-0.9 -0.596 70.3-147.2 -79.4 119.9 17.7 -35.5 13.2 111 149 A P H 3> S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.749 96.2 53.1 -55.5 -32.7 15.8 -35.9 9.8 112 150 A K H 3> S+ 0 0 127 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.797 104.8 55.9 -76.9 -26.3 12.3 -35.2 11.2 113 151 A K H <> S+ 0 0 103 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.915 108.3 47.9 -67.0 -44.7 13.6 -31.9 12.8 114 152 A R H X S+ 0 0 32 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.897 110.3 53.9 -55.6 -43.3 14.8 -30.8 9.3 115 153 A E H X S+ 0 0 110 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.959 110.4 43.9 -61.2 -51.6 11.4 -31.9 8.0 116 154 A F H X S+ 0 0 152 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.944 113.9 53.5 -55.0 -49.0 9.4 -29.7 10.5 117 155 A L H X S+ 0 0 21 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.915 110.0 43.6 -55.3 -51.0 11.8 -26.8 9.9 118 156 A F H X S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.894 110.3 53.4 -68.6 -43.2 11.5 -26.6 6.1 119 157 A N H X S+ 0 0 96 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.826 109.0 52.3 -61.4 -32.9 7.7 -27.0 5.9 120 158 A A H >X S+ 0 0 33 -4,-1.8 3,-1.9 -5,-0.2 4,-0.9 0.997 107.3 51.5 -58.4 -62.6 7.5 -24.1 8.3 121 159 A I H 3< S+ 0 0 0 -4,-2.0 6,-0.3 1,-0.3 -2,-0.2 0.733 100.4 61.3 -50.5 -35.0 9.7 -21.9 6.1 122 160 A E H 3< S+ 0 0 111 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.872 104.8 51.8 -60.0 -36.9 7.7 -22.5 3.0 123 161 A T H << S+ 0 0 105 -3,-1.9 -2,-0.2 -4,-0.8 -1,-0.2 0.944 88.7 108.4 -55.7 -49.8 4.7 -20.9 4.8 124 162 A M S >X S- 0 0 65 -4,-0.9 4,-1.3 3,-0.1 3,-0.9 0.207 72.5-123.5 -62.0 149.6 6.4 -17.7 5.8 125 163 A P H 3> S+ 0 0 68 0, 0.0 4,-3.9 0, 0.0 5,-0.3 0.803 103.0 66.6 -42.2 -51.0 5.9 -14.1 4.5 126 164 A Y H 3> S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.851 105.9 43.6 -50.9 -40.5 9.5 -13.5 3.6 127 165 A V H <> S+ 0 0 49 -3,-0.9 4,-2.5 -6,-0.3 -1,-0.2 0.960 117.4 44.2 -70.8 -49.5 9.3 -16.1 0.8 128 166 A K H X S+ 0 0 144 -4,-1.3 4,-3.3 1,-0.2 -2,-0.2 0.910 114.8 50.0 -59.1 -45.5 5.8 -14.9 -0.4 129 167 A K H X S+ 0 0 65 -4,-3.9 4,-1.9 2,-0.2 -1,-0.2 0.881 112.4 45.3 -62.1 -44.6 6.8 -11.2 -0.3 130 168 A K H X S+ 0 0 30 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.867 113.8 51.8 -66.3 -38.6 10.1 -11.8 -2.2 131 169 A A H X S+ 0 0 52 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.982 110.4 47.0 -58.3 -56.8 8.1 -13.9 -4.7 132 170 A D H X S+ 0 0 76 -4,-3.3 4,-1.1 1,-0.2 -2,-0.2 0.826 111.4 53.0 -54.9 -37.5 5.5 -11.2 -5.2 133 171 A W H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.945 110.5 44.9 -64.4 -52.0 8.2 -8.5 -5.6 134 172 A A H X>S+ 0 0 37 -4,-2.2 4,-2.6 1,-0.2 5,-1.7 0.868 113.8 49.5 -60.5 -38.7 10.1 -10.5 -8.4 135 173 A L H <5S+ 0 0 103 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.755 114.9 47.6 -75.9 -19.2 6.8 -11.3 -10.2 136 174 A R H <5S+ 0 0 147 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.857 126.0 24.3 -82.7 -41.6 5.9 -7.6 -9.9 137 175 A W H <5S+ 0 0 8 -4,-2.5 7,-0.2 -5,-0.1 -2,-0.2 0.581 135.3 25.1-107.2 -15.2 9.3 -6.1 -11.1 138 176 A I T ><5S+ 0 0 9 -4,-2.6 3,-0.7 -5,-0.3 -3,-0.2 0.755 125.3 35.8-108.6 -59.9 10.8 -8.9 -13.3 139 177 A A T 3 - 0 0 67 -7,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.753 25.3-105.9-119.2 168.4 11.8 -3.4 -19.1 145 183 A F H > S+ 0 0 21 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.918 119.6 52.3 -64.5 -45.6 15.5 -4.5 -19.2 146 184 A G H > S+ 0 0 3 60,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.874 110.0 50.6 -55.2 -40.3 16.8 -1.6 -17.2 147 185 A E H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 110.2 48.8 -65.6 -44.8 14.2 -2.4 -14.5 148 186 A R H X S+ 0 0 17 -4,-2.3 4,-3.5 2,-0.2 -2,-0.2 0.867 107.5 55.0 -63.1 -38.4 15.2 -6.0 -14.4 149 187 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.917 110.9 45.8 -59.4 -42.4 18.9 -5.0 -14.1 150 188 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.897 114.2 47.9 -68.9 -39.3 18.0 -2.9 -11.1 151 189 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.939 110.5 52.8 -62.1 -46.2 15.9 -5.8 -9.6 152 190 A F H X S+ 0 0 4 -4,-3.5 4,-1.4 1,-0.2 -2,-0.2 0.931 108.6 49.4 -54.0 -49.5 18.8 -8.1 -10.3 153 191 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.831 110.5 51.5 -60.0 -34.9 21.2 -5.9 -8.4 154 192 A A H X>S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-2.1 0.902 104.2 55.6 -69.9 -45.8 18.7 -5.7 -5.5 155 193 A V H <5S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.4 37.8 -51.5 -35.8 18.3 -9.5 -5.2 156 194 A E H <5S+ 0 0 14 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.855 129.9 26.3 -87.5 -37.9 22.1 -9.7 -4.9 157 195 A G H <5S+ 0 0 19 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.570 128.4 31.1-109.9 -15.0 22.9 -6.6 -2.7 158 196 A V T ><5S+ 0 0 0 -4,-2.9 3,-1.3 -5,-0.2 4,-0.5 0.778 102.2 73.5-108.0 -49.7 19.7 -5.8 -0.7 159 197 A F T 3 S+ 0 0 20 1,-0.1 4,-2.1 -2,-0.1 3,-0.5 0.363 94.2 117.9 60.9 -1.8 19.9 -11.3 2.5 161 199 A S H <> S+ 0 0 11 -3,-1.3 4,-1.7 1,-0.2 -2,-0.1 0.917 75.3 50.4 -56.9 -41.6 22.2 -8.4 3.2 162 200 A G H > S+ 0 0 0 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.767 108.4 51.3 -67.3 -26.4 21.0 -8.3 6.8 163 201 A S H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.869 106.9 51.8 -81.7 -38.2 21.6 -12.1 7.4 164 202 A F H X S+ 0 0 17 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.937 111.6 49.8 -57.2 -43.6 25.2 -11.9 6.1 165 203 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.909 108.8 51.2 -61.4 -45.9 25.5 -9.1 8.6 166 204 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.887 110.9 48.1 -57.5 -42.9 23.9 -11.2 11.4 167 205 A I H X S+ 0 0 4 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.843 109.5 53.4 -70.1 -31.3 26.3 -14.1 10.7 168 206 A F H X S+ 0 0 36 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.854 102.1 59.5 -68.0 -36.1 29.2 -11.6 10.7 169 207 A W H X S+ 0 0 65 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.847 103.5 51.5 -58.1 -36.1 28.0 -10.5 14.2 170 208 A L H ><>S+ 0 0 4 -4,-1.2 5,-1.7 2,-0.2 3,-0.8 0.834 103.2 57.8 -70.9 -33.6 28.5 -14.1 15.4 171 209 A K H ><5S+ 0 0 96 -4,-1.1 3,-2.6 1,-0.3 -2,-0.2 0.912 96.6 63.2 -61.2 -41.7 32.1 -14.1 14.0 172 210 A K H 3<5S+ 0 0 111 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.799 104.1 48.9 -47.9 -31.8 32.7 -11.0 16.2 173 211 A R T <<5S- 0 0 96 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.083 116.5-113.9-101.9 21.7 32.0 -13.5 19.1 174 212 A G T < 5 + 0 0 59 -3,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.684 68.2 144.1 60.0 25.3 34.4 -16.2 17.9 175 213 A L < - 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