==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REDUCTASE 16-AUG-04 1W69 . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.KARLSEN,K.R.STRAND,M.KOLBERG,A.K.ROHR,C.H.GORBITZ, . 281 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 76.9 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 1 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 68 A V > 0 0 125 0, 0.0 3,-1.2 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -17.1 123.5 104.9 75.7 2 69 A E T 3 + 0 0 160 1,-0.2 6,-0.1 6,-0.1 0, 0.0 0.651 360.0 55.4 -72.0 -15.4 123.3 108.0 73.5 3 70 A D T 3 S+ 0 0 110 5,-0.0 -1,-0.2 4,-0.0 3,-0.1 0.439 85.5 99.8 -95.3 0.1 121.9 106.1 70.6 4 71 A E X> - 0 0 15 -3,-1.2 4,-3.1 1,-0.2 3,-0.6 -0.779 61.6-157.4 -90.8 108.4 119.0 104.8 72.8 5 72 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 209,-0.1 0.797 95.7 48.1 -52.4 -30.0 115.8 106.8 72.2 6 73 A L T 34 S+ 0 0 0 207,-0.4 82,-2.5 1,-0.1 83,-0.7 0.811 122.0 30.4 -83.1 -32.3 114.6 105.7 75.6 7 74 A L T <4 S+ 0 0 27 -3,-0.6 -1,-0.1 -6,-0.2 3,-0.1 0.657 92.9 105.5-103.4 -18.9 117.8 106.5 77.6 8 75 A R S < S- 0 0 112 -4,-3.1 80,-0.1 1,-0.1 -6,-0.1 -0.225 85.2 -78.8 -65.0 153.4 119.4 109.5 75.8 9 76 A E - 0 0 188 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.202 47.1-166.9 -53.5 132.9 119.3 113.0 77.1 10 77 A N > - 0 0 32 -3,-0.1 3,-1.3 1,-0.1 4,-0.2 -0.922 17.3-171.4-132.2 109.0 115.9 114.7 76.6 11 78 A P T 3 S+ 0 0 115 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.735 91.7 54.2 -67.1 -25.3 115.5 118.5 77.1 12 79 A R T > S+ 0 0 182 1,-0.2 3,-1.4 2,-0.1 78,-0.0 0.296 76.8 111.6 -92.0 9.0 111.7 118.3 76.7 13 80 A R T < + 0 0 73 -3,-1.3 -1,-0.2 1,-0.2 -4,-0.0 0.792 69.0 56.7 -50.6 -38.7 111.6 115.7 79.4 14 81 A F T 3 S+ 0 0 161 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.2 0.657 97.7 69.9 -73.7 -17.5 109.8 117.9 82.0 15 82 A V < - 0 0 90 -3,-1.4 75,-0.2 1,-0.1 -3,-0.0 -0.844 65.1-151.9-107.5 140.3 106.8 118.7 79.8 16 83 A V + 0 0 62 -2,-0.4 4,-0.2 74,-0.1 -1,-0.1 0.920 58.9 98.4 -75.9 -46.4 104.0 116.3 78.8 17 84 A F + 0 0 138 2,-0.1 2,-0.1 1,-0.1 -2,-0.0 -0.717 63.2 41.3 -98.3 151.6 102.9 117.7 75.5 18 85 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.581 89.0-130.2 -80.7 154.6 103.3 117.2 72.7 19 86 A I - 0 0 26 1,-0.2 3,-0.2 -2,-0.1 -2,-0.1 -0.512 23.0-175.2 -69.9 125.7 103.2 113.4 73.1 20 87 A E S S+ 0 0 101 -2,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.892 76.3 33.8 -87.1 -45.6 106.2 111.7 71.5 21 88 A Y > - 0 0 41 1,-0.1 4,-2.1 2,-0.0 -1,-0.3 -0.884 59.0-179.9-118.1 102.1 105.3 108.0 72.0 22 89 A H H > S+ 0 0 114 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.765 83.2 59.7 -70.9 -25.8 101.5 107.3 71.9 23 90 A D H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.937 110.6 41.0 -67.1 -43.5 102.0 103.6 72.5 24 91 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 114.2 53.5 -69.2 -41.9 103.7 104.4 75.9 25 92 A W H X S+ 0 0 34 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.925 105.9 51.8 -59.8 -46.0 101.2 107.1 76.7 26 93 A Q H X S+ 0 0 108 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.868 106.9 54.7 -60.8 -35.4 98.2 104.8 76.1 27 94 A M H X S+ 0 0 42 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.924 107.9 49.6 -61.8 -44.7 99.8 102.3 78.5 28 95 A Y H X S+ 0 0 33 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.911 109.6 50.8 -60.5 -43.6 100.0 105.0 81.1 29 96 A K H X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.840 107.7 52.9 -63.9 -35.3 96.3 106.0 80.6 30 97 A K H X S+ 0 0 101 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.918 112.6 45.5 -66.7 -40.3 95.3 102.3 81.0 31 98 A A H >< S+ 0 0 8 -4,-2.0 3,-0.9 2,-0.2 4,-0.2 0.937 112.4 50.0 -65.9 -47.7 97.2 102.2 84.3 32 99 A E H >< S+ 0 0 70 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.912 108.9 52.4 -57.7 -44.1 95.8 105.6 85.5 33 100 A A H 3< S+ 0 0 87 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.698 103.4 60.2 -66.0 -20.1 92.2 104.4 84.7 34 101 A S T << S+ 0 0 4 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.417 76.1 140.8 -89.0 1.0 92.8 101.3 86.8 35 102 A F < + 0 0 111 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.1 -0.064 18.1 155.9 -49.3 140.5 93.5 103.2 90.0 36 103 A W - 0 0 3 159,-0.0 2,-0.3 66,-0.0 69,-0.1 -0.961 29.8-134.4-160.7 157.1 92.1 101.7 93.2 37 104 A T > - 0 0 42 -2,-0.3 3,-1.1 1,-0.1 4,-0.1 -0.807 25.9-115.9-116.9 159.5 92.9 101.9 96.9 38 105 A A G > S+ 0 0 1 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.868 111.0 69.4 -61.3 -37.2 93.1 99.2 99.5 39 106 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.797 87.4 67.4 -51.5 -31.4 90.1 100.8 101.4 40 107 A E G < S+ 0 0 117 -3,-1.1 2,-0.7 2,-0.1 -1,-0.3 0.556 81.9 88.2 -69.4 -8.6 87.9 99.6 98.5 41 108 A V S < S- 0 0 10 -3,-2.5 2,-0.6 -4,-0.1 147,-0.1 -0.842 76.0-140.4 -97.4 114.0 88.5 96.0 99.4 42 109 A D + 0 0 99 -2,-0.7 149,-0.1 1,-0.2 -2,-0.1 -0.620 32.8 162.1 -75.9 114.0 85.9 94.7 101.9 43 110 A L >> + 0 0 22 -2,-0.6 3,-1.0 1,-0.1 4,-0.5 0.275 50.2 95.9-112.9 5.7 87.7 92.5 104.4 44 111 A S G >4 S+ 0 0 80 1,-0.3 2,-0.9 2,-0.2 3,-0.7 0.949 86.7 47.8 -61.2 -48.6 85.0 92.6 107.1 45 112 A K G 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 143,-0.2 -0.245 100.4 72.9 -87.7 46.9 83.4 89.4 105.9 46 113 A D G <> S+ 0 0 1 -3,-1.0 4,-2.3 -2,-0.9 -1,-0.2 0.570 72.3 71.8-130.0 -26.0 86.8 87.5 105.7 47 114 A I H > S+ 0 0 105 -4,-0.3 4,-1.7 2,-0.2 3,-0.6 0.910 108.6 50.1 -72.1 -43.7 85.1 84.2 109.3 49 116 A H H 34 S+ 0 0 53 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.870 103.7 59.4 -62.4 -37.9 86.2 82.6 106.0 50 117 A W H >< S+ 0 0 26 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.812 106.4 49.6 -61.3 -29.0 89.7 82.4 107.3 51 118 A E H << S+ 0 0 124 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.879 99.2 63.2 -76.6 -40.8 88.4 80.2 110.1 52 119 A A T 3< S+ 0 0 79 -4,-1.7 -1,-0.2 2,-0.0 2,-0.2 0.302 90.6 103.6 -68.2 13.5 86.4 77.9 107.8 53 120 A L S < S- 0 0 9 -3,-0.6 -3,-0.0 1,-0.0 132,-0.0 -0.624 76.4-113.3 -98.8 157.4 89.8 76.9 106.4 54 121 A K >> - 0 0 120 -2,-0.2 4,-1.9 1,-0.1 3,-1.1 -0.648 33.6-108.3 -87.4 144.3 91.8 73.8 106.9 55 122 A P H 3> S+ 0 0 103 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.748 122.0 47.6 -40.9 -32.9 95.1 74.0 108.8 56 123 A D H 3> S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.853 106.9 54.8 -80.4 -35.9 96.9 73.4 105.5 57 124 A E H <> S+ 0 0 6 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.800 112.1 44.8 -67.1 -28.4 94.9 75.9 103.5 58 125 A R H X S+ 0 0 65 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.837 110.3 55.0 -81.3 -35.1 95.9 78.6 106.1 59 126 A H H X S+ 0 0 78 -4,-1.3 4,-1.1 -5,-0.3 -2,-0.2 0.892 112.1 44.2 -62.8 -40.4 99.5 77.4 106.0 60 127 A F H >X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 3,-0.9 0.989 114.8 45.4 -68.0 -61.7 99.6 77.9 102.3 61 128 A I H 3X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.3 5,-0.2 0.870 111.2 53.5 -51.1 -43.6 97.9 81.2 102.1 62 129 A S H 3X S+ 0 0 16 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.828 110.3 47.9 -63.8 -31.9 99.9 82.7 104.9 63 130 A H H X S+ 0 0 22 -4,-1.4 4,-1.5 -3,-0.4 3,-0.9 0.935 113.6 50.2 -68.9 -46.8 106.2 86.5 99.8 68 135 A F H 3X S+ 0 0 3 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.727 93.1 80.2 -63.7 -22.0 103.8 89.2 98.7 69 136 A A H 3< S+ 0 0 11 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.9 12.2 -55.0 -41.7 104.4 91.3 101.8 70 137 A A H XX S+ 0 0 26 -3,-0.9 4,-2.3 -4,-0.5 3,-0.5 0.603 104.9 91.1-111.9 -17.9 107.7 92.8 100.6 71 138 A S H 3X S+ 0 0 20 -4,-1.5 4,-2.2 1,-0.3 5,-0.2 0.873 89.6 46.5 -47.1 -50.8 107.7 91.8 96.9 72 139 A D H 3X S+ 0 0 8 -4,-0.8 4,-2.3 1,-0.2 -1,-0.3 0.855 110.5 55.4 -64.1 -31.9 105.9 95.1 95.7 73 140 A G H <> S+ 0 0 27 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.936 107.0 48.9 -64.8 -44.9 108.3 97.0 97.9 74 141 A I H X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.921 110.5 51.0 -59.2 -46.1 111.3 95.4 96.2 75 142 A V H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.917 111.1 48.1 -57.5 -46.5 109.8 96.2 92.8 76 143 A N H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.832 105.5 59.3 -64.1 -34.5 109.3 99.9 93.8 77 144 A E H X S+ 0 0 78 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.933 109.6 43.4 -59.0 -46.8 112.9 100.0 95.1 78 145 A N H X>S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.7 0.920 112.4 51.7 -64.8 -46.1 114.1 99.1 91.6 79 146 A L H <>S+ 0 0 3 -4,-2.4 5,-2.3 3,-0.2 6,-0.3 0.823 116.2 41.4 -61.2 -33.7 111.7 101.5 89.8 80 147 A V H <5S+ 0 0 73 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.933 121.6 36.4 -81.1 -50.7 112.8 104.4 92.0 81 148 A E H <5S+ 0 0 99 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.644 136.9 5.7 -79.0 -14.0 116.5 103.9 92.2 82 149 A R T >X5S+ 0 0 45 -4,-2.0 4,-2.7 -5,-0.3 3,-1.5 0.486 120.5 39.0-129.3 -90.0 116.8 102.7 88.6 83 150 A F H 3> - 0 0 2 -83,-0.7 4,-2.2 1,-0.2 3,-0.5 -0.688 64.3-142.7 -81.9 120.8 111.0 109.7 77.9 90 157 A T H > S+ 0 0 17 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.885 98.3 52.9 -47.2 -51.2 108.2 111.6 79.7 91 158 A E H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 110.7 47.7 -56.6 -40.4 105.5 109.1 78.8 92 159 A A H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.876 109.4 52.0 -69.8 -37.8 107.6 106.3 80.3 93 160 A R H X S+ 0 0 68 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.839 108.2 53.7 -66.9 -32.1 108.3 108.2 83.5 94 161 A C H X S+ 0 0 36 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.942 109.0 47.3 -66.5 -46.8 104.6 108.8 83.8 95 162 A F H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.954 114.6 46.7 -59.5 -47.1 103.9 105.1 83.6 96 163 A Y H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.839 107.2 57.2 -64.4 -32.5 106.6 104.4 86.1 97 164 A G H X S+ 0 0 38 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.908 112.1 42.3 -64.2 -39.8 105.4 107.1 88.4 98 165 A F H X S+ 0 0 39 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.874 110.0 56.5 -75.1 -36.1 102.0 105.4 88.5 99 166 A Q H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 106.7 51.1 -60.0 -43.2 103.5 101.9 88.8 100 167 A I H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.920 110.8 47.5 -59.6 -46.6 105.3 103.0 91.9 101 168 A A H X S+ 0 0 43 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.894 114.0 46.9 -63.4 -40.9 102.1 104.4 93.5 102 169 A M H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.880 107.5 56.4 -70.6 -34.9 100.1 101.3 92.7 103 170 A E H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.884 105.9 51.7 -63.2 -37.0 102.9 99.0 94.0 104 171 A N H X S+ 0 0 88 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.843 109.5 49.1 -68.6 -30.7 102.7 100.8 97.3 105 172 A I H X S+ 0 0 19 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.921 110.9 50.4 -72.7 -40.8 98.9 100.2 97.4 106 173 A H H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.930 109.5 51.8 -58.6 -44.3 99.5 96.6 96.6 107 174 A S H X S+ 0 0 29 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.886 110.9 46.8 -60.1 -41.9 102.0 96.5 99.4 108 175 A E H X S+ 0 0 82 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.939 108.8 56.1 -65.1 -47.2 99.5 98.0 101.8 109 176 A M H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.925 108.2 46.6 -52.1 -50.7 96.8 95.5 100.6 110 177 A Y H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 112.8 49.3 -61.2 -41.0 99.0 92.5 101.5 111 178 A S H X S+ 0 0 41 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.890 110.5 51.3 -62.7 -40.9 99.9 93.9 104.9 112 179 A L H X S+ 0 0 60 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.895 109.9 50.6 -62.7 -41.5 96.2 94.6 105.5 113 180 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 5,-0.3 0.950 113.6 43.4 -61.7 -51.1 95.4 91.0 104.6 114 181 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 3,-0.3 0.952 113.5 51.2 -60.3 -50.0 98.0 89.6 106.9 115 182 A D H < S+ 0 0 66 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.9 48.0 -54.1 -38.5 97.0 91.9 109.7 116 183 A T H < S+ 0 0 29 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.797 118.6 36.0 -75.9 -32.5 93.4 90.8 109.2 117 184 A Y H < S+ 0 0 6 -4,-2.0 2,-0.8 -3,-0.3 -2,-0.2 0.791 113.2 55.6 -93.2 -31.8 94.0 87.0 109.2 118 185 A I < + 0 0 7 -4,-3.0 -1,-0.2 -5,-0.3 6,-0.2 -0.760 55.6 170.9-108.3 89.2 96.8 86.7 111.7 119 186 A K + 0 0 121 -2,-0.8 -1,-0.2 -3,-0.2 -2,-0.0 0.814 56.0 90.4 -63.4 -33.6 95.7 88.2 115.0 120 187 A D > - 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0 0 0 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 0.914 57.2-171.2 42.6 69.2 88.3 84.1 101.1 187 254 A P H > S+ 0 0 56 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.771 84.7 52.7 -59.2 -26.3 86.3 86.7 99.1 188 255 A G H > S+ 0 0 0 2,-0.2 4,-1.9 -143,-0.2 5,-0.2 0.922 110.9 45.4 -74.4 -45.0 88.6 89.4 100.4 189 256 A L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.935 116.7 44.0 -62.6 -49.6 91.8 87.6 99.3 190 257 A T H X S+ 0 0 9 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.802 111.7 53.5 -69.2 -30.6 90.5 86.7 95.8 191 258 A F H X S+ 0 0 89 -4,-1.3 4,-1.4 -5,-0.3 3,-0.5 0.930 111.2 43.7 -72.3 -43.1 89.0 90.1 95.2 192 259 A S H X S+ 0 0 1 -4,-1.9 4,-3.0 1,-0.2 3,-0.4 0.925 109.4 59.8 -65.3 -39.6 92.2 92.0 95.9 193 260 A N H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.771 102.9 52.9 -57.4 -28.8 94.0 89.3 93.9 194 261 A E H X S+ 0 0 66 -4,-1.0 4,-1.2 -3,-0.5 -1,-0.2 0.878 111.9 43.2 -76.1 -38.2 91.9 90.3 90.8 195 262 A L H X S+ 0 0 24 -4,-1.4 4,-1.4 -3,-0.4 -2,-0.2 0.918 115.9 48.0 -71.8 -45.4 92.7 93.9 91.1 196 263 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 3,-0.5 0.937 110.2 51.7 -61.1 -46.8 96.4 93.3 91.7 197 264 A S H X S+ 0 0 25 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.834 105.0 56.7 -60.5 -34.7 96.7 90.8 88.9 198 265 A R H X S+ 0 0 103 -4,-1.2 4,-1.2 2,-0.2 -1,-0.3 0.885 110.2 45.3 -64.3 -36.5 95.2 93.3 86.5 199 266 A D H X S+ 0 0 3 -4,-1.4 4,-2.6 -3,-0.5 -2,-0.2 0.925 111.2 51.8 -71.8 -44.5 97.9 95.8 87.5 200 267 A E H X S+ 0 0 11 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.897 106.3 53.1 -59.4 -43.4 100.7 93.2 87.2 201 268 A G H X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 112.6 46.9 -58.2 -38.7 99.6 92.2 83.7 202 269 A L H X S+ 0 0 14 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.900 110.5 50.5 -69.5 -41.1 99.9 95.8 82.9 203 270 A H H X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.841 112.7 49.4 -65.3 -32.7 103.3 96.2 84.6 204 271 A C H X S+ 0 0 16 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.896 109.0 49.1 -72.0 -45.4 104.5 93.2 82.5 205 272 A D H X S+ 0 0 60 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.874 110.7 51.7 -63.4 -38.5 103.2 94.5 79.2 206 273 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.927 105.8 54.3 -64.2 -44.0 104.9 97.8 79.8 207 274 A A H X S+ 0 0 9 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.941 110.1 47.8 -54.1 -46.1 108.1 96.1 80.6 208 275 A C H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.860 109.8 52.6 -64.4 -34.0 107.8 94.3 77.2 209 276 A L H X S+ 0 0 29 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.886 108.6 49.6 -68.8 -38.8 107.0 97.6 75.5 210 277 A M H < S+ 0 0 0 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.879 108.2 55.0 -65.6 -37.5 110.2 99.2 77.0 211 278 A F H >< S+ 0 0 2 -4,-2.0 3,-1.6 -5,-0.2 -2,-0.2 0.933 106.2 50.9 -60.5 -46.4 112.1 96.2 75.7 212 279 A K H 3< S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.9 55.5 -61.7 -32.2 110.8 96.8 72.2 213 280 A H T 3< S+ 0 0 38 -4,-1.4 2,-0.4 -5,-0.1 -207,-0.4 0.488 88.5 97.1 -80.7 -2.6 111.9 100.5 72.4 214 281 A L < - 0 0 7 -3,-1.6 3,-0.2 -4,-0.3 -210,-0.1 -0.731 57.2-165.2 -86.4 133.3 115.5 99.4 73.2 215 282 A V S S+ 0 0 79 -2,-0.4 2,-1.0 1,-0.3 -1,-0.2 0.969 80.6 37.6 -80.5 -64.2 117.8 99.3 70.3 216 283 A H S S+ 0 0 141 0, 0.0 -1,-0.3 0, 0.0 -60,-0.3 -0.776 83.2 155.8 -93.8 101.0 120.7 97.3 71.6 217 284 A K - 0 0 78 -2,-1.0 -6,-0.0 -3,-0.2 -62,-0.0 -0.709 46.7 -71.6-120.2 169.7 119.2 94.6 73.8 218 285 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.221 55.0 -99.9 -63.0 153.0 120.3 91.1 74.9 219 286 A A > - 0 0 70 1,-0.1 4,-1.8 4,-0.0 3,-0.4 -0.244 34.9-107.0 -66.4 159.1 120.3 88.2 72.5 220 287 A E H > S+ 0 0 74 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.893 118.4 57.1 -56.1 -43.0 117.4 85.7 72.5 221 288 A Q H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 107.1 49.1 -57.8 -38.8 119.5 83.0 74.2 222 289 A R H > S+ 0 0 61 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.887 111.4 49.3 -67.5 -40.4 120.2 85.3 77.1 223 290 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.933 110.8 49.5 -65.1 -44.9 116.5 86.2 77.4 224 291 A R H X S+ 0 0 73 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.909 110.5 52.9 -59.0 -40.4 115.5 82.5 77.4 225 292 A E H X S+ 0 0 92 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.936 111.2 43.6 -61.7 -49.0 118.1 82.0 80.1 226 293 A I H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.947 117.7 45.4 -63.3 -47.3 116.8 84.7 82.4 227 294 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.930 113.6 50.5 -60.1 -47.7 113.1 83.7 81.8 228 295 A T H X S+ 0 0 35 -4,-3.2 4,-2.2 -5,-0.3 -1,-0.2 0.862 107.6 52.2 -60.3 -39.3 114.0 80.0 82.3 229 296 A N H X S+ 0 0 74 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.864 110.4 48.8 -67.2 -34.1 115.9 80.6 85.5 230 297 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.893 108.0 55.6 -71.1 -39.1 112.8 82.5 86.9 231 298 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.958 109.4 45.4 -55.9 -54.2 110.6 79.6 85.8 232 299 A R H X S+ 0 0 115 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.926 112.1 50.8 -56.0 -50.6 112.6 77.0 87.7 233 300 A I H X S+ 0 0 20 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.880 112.5 47.9 -55.9 -39.8 112.8 79.2 90.9 234 301 A E H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.870 113.2 46.8 -70.8 -37.4 109.0 79.7 90.7 235 302 A Q H X S+ 0 0 11 -4,-2.4 4,-1.1 2,-0.2 3,-0.2 0.925 109.5 53.3 -69.8 -43.7 108.3 76.0 90.2 236 303 A E H X>S+ 0 0 75 -4,-3.2 5,-2.2 1,-0.2 4,-0.5 0.809 108.8 52.9 -60.5 -28.3 110.6 75.0 93.0 237 304 A F H <>S+ 0 0 6 -4,-1.1 5,-1.7 -5,-0.3 -1,-0.2 0.865 117.0 34.9 -75.9 -36.3 108.7 77.4 95.2 238 305 A L H <5S+ 0 0 0 -4,-1.4 6,-1.6 -3,-0.2 -2,-0.2 0.318 124.7 37.8-103.2 8.2 105.3 76.0 94.4 239 306 A T H <5S+ 0 0 22 -4,-1.1 -3,-0.2 4,-0.2 -2,-0.1 0.263 134.0 12.1-136.6 5.9 106.1 72.2 94.1 240 307 A E T <5S+ 0 0 114 -4,-0.5 -3,-0.2 -5,-0.2 -4,-0.1 0.320 127.9 39.3-143.1 -74.1 108.7 71.9 96.9 241 308 A A T - 0 0 38 0, 0.0 3,-1.8 0, 0.0 -4,-0.2 -0.238 12.8-143.8 -54.9 128.1 103.3 72.6 97.5 244 311 A V G > >S+ 0 0 0 -6,-1.6 5,-1.7 1,-0.3 3,-1.3 0.467 92.5 88.0 -70.5 0.2 100.0 73.8 96.0 245 312 A K G > 5S+ 0 0 160 1,-0.3 3,-2.7 3,-0.2 -1,-0.3 0.859 70.2 74.1 -65.1 -34.0 98.9 70.3 97.0 246 313 A L G < 5S+ 0 0 43 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.658 103.2 38.2 -54.1 -19.1 98.0 71.9 100.3 247 314 A I G < 5S- 0 0 2 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.149 129.3 -89.6-119.5 17.8 95.0 73.5 98.7 248 315 A G T < 5S+ 0 0 56 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.795 81.0 135.7 82.9 30.1 94.0 70.6 96.4 249 316 A M < - 0 0 13 -5,-1.7 2,-0.6 -6,-0.1 -1,-0.3 -0.848 59.2-112.8-112.9 149.3 96.0 71.4 93.3 250 317 A N > - 0 0 92 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 -0.671 18.5-148.5 -79.2 119.4 98.1 69.1 91.1 251 318 A C H > S+ 0 0 38 -2,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.726 95.5 56.1 -59.7 -22.0 101.8 70.1 91.5 252 319 A T H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 105.0 46.1 -77.8 -48.9 102.3 69.0 87.9 253 320 A L H > S+ 0 0 69 1,-0.2 4,-1.6 2,-0.2 28,-0.2 0.786 108.8 59.0 -65.1 -27.1 99.8 71.2 86.1 254 321 A M H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.899 103.8 50.0 -67.8 -41.1 101.0 74.2 88.2 255 322 A K H X S+ 0 0 79 -4,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.858 110.6 50.9 -63.6 -36.0 104.5 73.8 86.8 256 323 A Q H X S+ 0 0 60 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.816 106.9 53.6 -71.1 -33.5 103.0 73.7 83.3 257 324 A Y H X S+ 0 0 19 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.916 105.2 53.8 -67.8 -42.8 101.0 76.8 84.0 258 325 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.902 110.4 47.5 -56.0 -44.6 104.2 78.7 85.0 259 326 A E H X S+ 0 0 31 -4,-1.5 4,-2.1 1,-0.2 16,-0.3 0.858 107.7 55.6 -66.3 -37.0 105.8 77.6 81.7 260 327 A F H X S+ 0 0 39 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.874 109.4 47.0 -63.2 -37.9 102.7 78.7 79.8 261 328 A V H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.883 109.1 53.9 -71.7 -35.8 103.0 82.2 81.4 262 329 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.880 108.1 51.8 -63.9 -37.1 106.8 82.2 80.5 263 330 A D H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.897 106.8 51.2 -66.8 -41.8 105.8 81.5 76.9 264 331 A R H X S+ 0 0 133 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.896 109.5 52.0 -62.2 -39.6 103.3 84.4 76.8 265 332 A L H X S+ 0 0 10 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.937 108.0 51.3 -62.1 -45.7 106.0 86.7 78.1 266 333 A M H X>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 4,-0.6 0.910 110.6 48.0 -58.1 -45.0 108.4 85.5 75.4 267 334 A L H ><5S+ 0 0 93 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.926 109.6 52.7 -61.2 -45.5 105.8 86.2 72.6 268 335 A E H 3<5S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.0 54.1 -58.5 -30.3 105.2 89.6 74.1 269 336 A L H 3<5S- 0 0 8 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.623 123.9-106.9 -79.7 -14.9 108.9 90.2 73.9 270 337 A G T <<5S+ 0 0 55 -3,-1.4 -3,-0.2 -4,-0.6 2,-0.2 0.566 82.9 113.0 97.6 12.4 108.9 89.3 70.2 271 338 A F S