==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JUL-96 1XSM . COMPND 2 MOLECULE: RIBONUCLEOTIDE REDUCTASE R2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.KAUPPI,B.N.NIELSEN,S.RAMASWAMY,I.KJOLLER-LARSEN, . 288 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 79.5 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 . 1 0.3 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 . 38 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 58.0 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 1 0 0 1 0 0 1 2 0 1 0 0 0 1 0 1 0 0 0 0 0 1 1 1 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 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.2 91.8 59.1 58.1 2 66 A P - 0 0 105 0, 0.0 3,-0.1 0, 0.0 155,-0.0 0.665 360.0 -40.8 -78.8-118.4 91.2 60.8 61.5 3 67 A S S >> S+ 0 0 39 1,-0.1 3,-2.1 2,-0.1 4,-0.5 -0.382 76.3 140.7-117.7 39.8 89.5 59.4 64.6 4 68 A V G >4 + 0 0 23 1,-0.3 3,-0.6 2,-0.2 7,-0.2 0.718 62.7 73.6 -60.1 -24.4 86.6 57.6 62.8 5 69 A E G 34 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.774 97.1 50.7 -59.5 -26.3 87.1 54.8 65.3 6 70 A D G <4 S+ 0 0 90 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.737 91.4 89.8 -87.1 -21.1 85.4 57.2 67.7 7 71 A E XX - 0 0 9 -3,-0.6 4,-4.9 -4,-0.5 3,-0.6 -0.604 58.5-161.3 -87.8 116.5 82.5 58.0 65.5 8 72 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 5,-0.2 0.822 94.4 46.9 -53.7 -38.3 79.5 55.8 65.9 9 73 A L T 34 S+ 0 0 0 207,-0.4 82,-3.0 1,-0.1 83,-0.8 0.753 126.9 27.9 -77.1 -27.1 78.0 56.8 62.5 10 74 A L T <4 S+ 0 0 17 -3,-0.6 -1,-0.1 80,-0.2 -6,-0.1 0.740 77.4 122.6-109.2 -30.7 81.3 56.3 60.8 11 75 A R S < S- 0 0 106 -4,-4.9 2,-3.7 -7,-0.2 -6,-0.1 -0.189 71.2-125.7 -46.1 110.3 83.2 53.8 62.6 12 76 A E S S+ 0 0 139 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.307 86.0 94.7 -54.3 64.1 83.8 51.4 59.8 13 77 A N + 0 0 99 -2,-3.7 -1,-0.2 -5,-0.2 -2,-0.1 0.272 19.4 123.7-152.7 19.4 82.3 48.7 62.0 14 78 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.968 45.0-163.4 -54.0 -39.0 78.5 47.8 61.8 15 79 A R + 0 0 241 1,-0.2 2,-0.1 2,-0.0 -3,-0.0 0.852 64.4 100.6 57.3 29.0 79.7 44.3 61.1 16 80 A R + 0 0 50 75,-0.1 -1,-0.2 1,-0.0 3,-0.1 -0.144 34.0 147.0-120.7-153.8 76.1 44.5 60.1 17 81 A F + 0 0 162 1,-0.7 2,-0.3 -2,-0.1 75,-0.0 0.787 54.8 112.5 98.4 46.8 73.9 44.9 57.2 18 82 A V - 0 0 90 3,-0.1 -1,-0.7 0, 0.0 75,-0.1 -0.912 59.3-153.4-137.8 121.2 71.3 42.8 58.6 19 83 A V + 0 0 64 -2,-0.3 -3,-0.0 1,-0.1 75,-0.0 0.672 64.5 70.3 -93.3 -15.1 68.5 45.3 59.2 20 84 A F + 0 0 156 1,-0.1 2,-1.4 2,-0.1 -1,-0.1 0.929 68.0 84.1 -86.5 -35.8 66.2 44.4 62.0 21 85 A P S S- 0 0 95 0, 0.0 2,-0.8 0, 0.0 -3,-0.1 -0.445 79.4-152.0 -58.9 99.3 67.9 44.7 65.3 22 86 A I + 0 0 35 -2,-1.4 3,-0.2 1,-0.2 -2,-0.1 -0.681 28.8 168.5 -84.6 109.6 67.1 48.5 65.3 23 87 A E + 0 0 117 -2,-0.8 2,-0.8 1,-0.2 -1,-0.2 0.874 65.7 49.7 -83.6 -44.1 69.7 50.5 67.2 24 88 A Y > + 0 0 40 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 -0.779 55.9 174.0-107.9 93.2 68.8 54.1 66.2 25 89 A H H > S+ 0 0 126 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.766 79.5 55.1 -68.7 -32.1 65.2 54.9 66.6 26 90 A D H > S+ 0 0 64 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.927 112.0 44.9 -67.4 -42.1 65.4 58.6 65.8 27 91 A I H >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.949 112.6 52.6 -66.9 -43.8 67.2 57.8 62.5 28 92 A W H 3X S+ 0 0 48 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.917 104.2 53.4 -55.9 -52.1 64.7 55.0 61.7 29 93 A Q H 3X S+ 0 0 123 -4,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.814 104.7 56.5 -62.9 -22.3 61.7 57.0 62.1 30 94 A M H < S+ 0 0 10 -4,-2.0 3,-2.4 2,-0.2 4,-0.3 0.984 109.4 50.5 -65.9 -60.4 60.5 59.5 54.1 35 99 A E H >< S+ 0 0 76 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.845 108.1 55.2 -44.1 -42.1 59.2 56.2 52.8 36 100 A A T 3< S+ 0 0 81 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.636 101.1 57.4 -71.7 -16.4 55.7 57.4 53.6 37 101 A S T < S+ 0 0 14 -3,-2.4 -1,-0.2 -4,-0.5 -2,-0.2 0.317 76.6 143.2 -97.3 8.9 56.0 60.6 51.5 38 102 A F < + 0 0 102 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.1 -0.120 17.9 158.6 -50.8 142.8 56.8 58.7 48.3 39 103 A W - 0 0 4 159,-0.0 2,-0.3 66,-0.0 69,-0.1 -0.966 29.3-129.6-160.9 161.4 55.3 60.1 45.1 40 104 A T > - 0 0 36 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.817 25.3-119.1-119.6 150.9 56.0 60.0 41.4 41 105 A A G > S+ 0 0 3 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.776 112.4 68.5 -54.9 -22.9 56.3 62.7 38.8 42 106 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.829 82.6 69.1 -69.8 -26.4 53.4 61.0 37.2 43 107 A E G < S+ 0 0 123 -3,-2.0 2,-0.6 2,-0.1 -1,-0.3 0.481 84.2 89.4 -70.5 -4.0 51.1 62.0 40.0 44 108 A V S < S- 0 0 12 -3,-1.4 2,-0.9 -4,-0.2 147,-0.1 -0.872 72.3-141.9-105.9 112.8 51.4 65.7 38.9 45 109 A D + 0 0 100 -2,-0.6 4,-0.3 1,-0.2 3,-0.3 -0.600 26.4 169.4 -78.3 106.6 48.9 67.0 36.3 46 110 A L + 0 0 25 -2,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.051 47.3 107.5 -98.2 23.5 50.8 69.3 34.0 47 111 A S S > S+ 0 0 94 1,-0.1 3,-0.5 2,-0.1 4,-0.2 0.926 79.1 36.6 -79.3 -38.4 47.9 69.3 31.7 48 112 A K T > S+ 0 0 133 -3,-0.3 3,-2.9 1,-0.2 4,-0.4 0.974 95.3 87.4 -73.3 -50.2 46.4 72.9 32.2 49 113 A D T 3> S+ 0 0 3 1,-0.3 4,-3.0 -4,-0.3 -1,-0.2 0.454 72.0 69.0 -23.5 -30.1 49.8 74.6 32.7 50 114 A I H <> S+ 0 0 72 -3,-0.5 4,-1.6 -4,-0.3 -1,-0.3 0.895 99.1 51.8 -68.0 -33.1 50.5 75.3 29.0 51 115 A Q H X> S+ 0 0 104 -3,-2.9 4,-1.8 -4,-0.2 3,-1.1 0.998 112.2 46.1 -61.2 -55.4 47.8 77.8 29.0 52 116 A H H 34 S+ 0 0 48 -4,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.931 103.7 58.6 -51.4 -48.4 49.2 79.5 32.0 53 117 A W H >< S+ 0 0 28 -4,-3.0 3,-0.6 1,-0.2 -1,-0.3 0.939 110.0 50.6 -47.4 -37.3 52.6 79.5 30.8 54 118 A E H << S+ 0 0 131 -4,-1.6 2,-1.8 -3,-1.1 -2,-0.2 0.938 102.6 53.4 -60.0 -62.5 50.9 81.5 28.0 55 119 A A T 3< S+ 0 0 89 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.2 -0.076 94.4 107.0 -66.5 34.6 49.0 84.1 30.0 56 120 A L S < S- 0 0 9 -2,-1.8 3,-0.0 -3,-0.6 -3,-0.0 -0.897 73.8-111.2-120.8 152.4 52.3 85.0 31.7 57 121 A K > - 0 0 120 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.471 29.3-117.3 -80.1 151.2 54.5 88.0 31.4 58 122 A P H >> S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 3,-1.9 0.965 113.9 56.0 -46.7 -60.7 57.7 87.4 29.9 59 123 A D H 3> S+ 0 0 89 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.844 106.0 53.6 -44.7 -39.4 59.6 88.5 33.0 60 124 A E H 3> S+ 0 0 7 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.862 109.3 48.6 -67.1 -32.9 57.7 85.8 34.8 61 125 A R H S+ 0 0 1 -4,-1.8 5,-2.1 -3,-0.3 4,-1.4 0.841 113.5 46.0 -57.9 -41.3 77.4 63.6 46.7 82 146 A L H <>S+ 0 0 2 -4,-1.7 5,-2.8 3,-0.2 6,-0.3 0.936 115.0 48.3 -67.9 -47.6 75.1 61.1 48.4 83 147 A V H <5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.947 122.9 29.0 -60.2 -56.6 76.0 58.5 45.9 84 148 A E H <5S+ 0 0 100 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 0.529 136.7 9.3 -91.9 -1.2 79.7 58.9 46.0 85 149 A R T >X5S+ 0 0 23 -4,-1.4 4,-3.0 -5,-0.2 3,-0.8 0.570 118.8 44.3-134.2 -64.7 80.2 60.1 49.5 86 150 A F H 3>> - 0 0 6 -83,-0.8 4,-1.6 1,-0.1 3,-0.7 -0.526 65.7-138.7 -70.8 124.5 74.9 52.8 60.4 93 157 A T H 3> S+ 0 0 9 -2,-0.4 4,-2.0 1,-0.3 5,-0.2 0.794 98.6 54.8 -48.6 -50.1 72.1 50.9 58.7 94 158 A E H 3> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.901 110.1 50.0 -57.6 -38.3 69.2 53.1 59.5 95 159 A A H <> S+ 0 0 0 -3,-0.7 4,-3.0 1,-0.2 -2,-0.2 0.815 106.0 56.5 -68.9 -35.9 71.1 56.0 58.0 96 160 A R H X S+ 0 0 87 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.856 106.1 51.7 -65.8 -34.9 71.8 53.9 54.9 97 161 A C H X S+ 0 0 27 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.965 110.6 46.1 -67.1 -48.5 68.1 53.4 54.5 98 162 A F H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.967 114.6 46.7 -61.1 -52.0 67.4 57.1 54.6 99 163 A Y H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.829 111.5 51.3 -60.6 -30.7 70.2 58.0 52.3 100 164 A G H X S+ 0 0 40 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.905 111.9 47.3 -73.1 -38.1 69.2 55.3 49.8 101 165 A F H X S+ 0 0 37 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.863 109.3 55.3 -67.2 -34.8 65.6 56.5 49.9 102 166 A Q H X S+ 0 0 5 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.925 105.6 51.4 -64.8 -42.4 66.8 60.2 49.4 103 167 A I H X S+ 0 0 31 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.917 107.6 51.6 -60.7 -44.6 68.7 59.3 46.3 104 168 A A H X S+ 0 0 40 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.939 113.1 47.8 -60.1 -40.4 65.6 57.6 44.8 105 169 A M H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.875 104.7 56.6 -69.3 -38.7 63.8 60.8 45.6 106 170 A E H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.897 106.8 52.9 -58.5 -37.3 66.3 63.1 44.2 107 171 A N H X S+ 0 0 87 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.789 107.8 48.7 -67.6 -35.8 65.9 61.2 40.9 108 172 A I H X S+ 0 0 22 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.891 111.1 50.2 -72.4 -37.5 62.3 61.7 40.9 109 173 A H H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.941 108.0 54.8 -64.6 -42.8 62.7 65.5 41.6 110 174 A S H X S+ 0 0 30 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.893 109.8 46.7 -55.9 -36.5 65.2 65.6 38.8 111 175 A E H X S+ 0 0 77 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.895 108.5 54.8 -73.7 -41.5 62.5 64.1 36.5 112 176 A M H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.951 109.6 46.9 -59.8 -47.5 59.7 66.4 37.7 113 177 A Y H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.847 109.1 54.4 -61.3 -37.2 61.8 69.4 36.9 114 178 A S H X S+ 0 0 37 -4,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.887 108.0 50.4 -63.8 -38.6 62.7 68.0 33.5 115 179 A L H X S+ 0 0 59 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.823 107.5 52.2 -65.4 -40.7 59.2 67.6 32.7 116 180 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.966 112.8 46.7 -62.8 -51.3 58.3 71.2 33.7 117 181 A I H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.940 112.9 47.3 -58.3 -47.4 60.9 72.4 31.5 118 182 A D H < S+ 0 0 52 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.884 111.9 51.5 -66.1 -29.6 60.0 70.3 28.7 119 183 A T H < S+ 0 0 51 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.861 117.5 36.7 -76.7 -27.8 56.4 71.2 29.1 120 184 A Y H < S+ 0 0 8 -4,-2.7 2,-0.9 1,-0.2 -2,-0.2 0.831 110.6 56.1 -92.7 -32.5 57.0 74.9 29.1 121 185 A I < + 0 0 9 -4,-2.2 -1,-0.2 -5,-0.3 6,-0.2 -0.773 53.8 176.4-105.4 93.6 59.8 75.4 26.7 122 186 A K + 0 0 192 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.778 60.2 91.2 -65.9 -24.4 58.8 74.0 23.3 123 187 A D >> - 0 0 62 1,-0.2 3,-2.5 -3,-0.2 4,-1.2 -0.470 62.0-163.1 -81.0 86.9 62.0 75.2 21.8 124 188 A P H 3> S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.575 89.0 68.5 -35.0 -23.1 64.5 72.3 22.1 125 189 A K H 3> S+ 0 0 167 2,-0.2 4,-1.6 3,-0.1 -2,-0.1 0.953 107.2 35.0 -64.3 -54.0 67.1 74.9 21.4 126 190 A E H X> S+ 0 0 97 -3,-2.5 4,-1.9 2,-0.2 3,-0.5 0.979 108.9 67.3 -59.4 -59.4 66.4 76.6 24.8 127 191 A R H >X S+ 0 0 71 -4,-1.2 4,-2.5 1,-0.3 3,-0.5 0.826 104.0 44.6 -26.9 -61.9 65.8 73.3 26.4 128 192 A E H 3X S+ 0 0 139 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.915 104.9 60.1 -55.1 -51.9 69.4 72.4 26.0 129 193 A Y H << S+ 0 0 108 -4,-1.6 8,-0.3 -3,-0.5 -1,-0.2 0.875 113.0 41.6 -42.4 -43.0 70.7 75.8 27.1 130 194 A L H X< S+ 0 0 7 -4,-1.9 3,-1.3 -3,-0.5 -1,-0.3 0.804 107.3 56.4 -79.6 -37.6 68.9 75.0 30.4 131 195 A F H 3< S+ 0 0 91 -4,-2.5 3,-0.3 -5,-0.4 2,-0.2 0.943 110.9 48.5 -64.3 -32.7 69.8 71.5 30.8 132 196 A N T >X S+ 0 0 65 -4,-2.7 4,-1.5 1,-0.2 3,-1.1 -0.210 71.0 135.9 -96.3 41.1 73.4 72.6 30.5 133 197 A A H <> + 0 0 0 -3,-1.3 4,-0.6 1,-0.3 7,-0.3 0.862 64.8 62.2 -55.6 -40.3 73.0 75.4 33.1 134 198 A I H 34 S+ 0 0 66 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.816 116.5 31.0 -57.5 -29.8 76.3 74.6 34.8 135 199 A E H <4 S+ 0 0 165 -3,-1.1 -1,-0.2 -6,-0.1 -2,-0.2 0.533 135.1 27.9-106.4 -10.5 78.2 75.3 31.6 136 200 A T H < S+ 0 0 41 -4,-1.5 -3,-0.2 -7,-0.2 -2,-0.2 0.788 102.8 70.0-111.2 -61.6 75.8 78.0 30.3 137 201 A M >< - 0 0 3 -4,-0.6 3,-1.5 -8,-0.3 4,-0.5 -0.509 50.5-173.2 -72.0 104.8 74.0 79.8 33.1 138 202 A P G >> S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.854 83.8 72.6 -63.1 -32.9 76.5 82.0 35.0 139 203 A C G 34 S+ 0 0 24 1,-0.3 4,-0.1 2,-0.1 -2,-0.1 0.414 105.1 36.7 -60.7 2.3 73.6 82.6 37.4 140 204 A V G <> S+ 0 0 0 -3,-1.5 4,-2.1 -7,-0.3 -1,-0.3 0.490 95.0 86.2-134.2 -1.0 74.0 79.1 38.6 141 205 A K H <> S+ 0 0 121 -3,-1.3 4,-4.7 -4,-0.5 5,-0.4 0.970 86.8 47.9 -65.9 -65.4 77.8 78.7 38.5 142 206 A K H X S+ 0 0 112 -4,-0.7 4,-3.2 1,-0.2 5,-0.2 0.901 116.1 44.7 -43.9 -58.5 78.8 80.0 41.9 143 207 A K H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 117.1 46.2 -52.5 -55.5 76.2 78.1 43.7 144 208 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.882 115.6 47.0 -58.3 -39.9 77.1 74.9 41.6 145 209 A D H X S+ 0 0 70 -4,-4.7 4,-1.5 2,-0.2 -1,-0.2 0.860 108.9 53.3 -74.4 -31.8 80.7 75.5 42.2 146 210 A W H X S+ 0 0 30 -4,-3.2 4,-0.9 -5,-0.4 -2,-0.2 0.938 113.0 43.5 -66.6 -43.4 80.3 76.1 45.9 147 211 A A H >X S+ 0 0 4 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.896 110.0 56.2 -67.7 -40.4 78.5 72.9 46.3 148 212 A L H >X S+ 0 0 58 -4,-2.3 4,-1.9 1,-0.2 3,-0.7 0.817 96.5 65.7 -62.0 -34.5 80.9 70.9 44.0 149 213 A R H 3X S+ 0 0 109 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.929 99.0 54.1 -55.0 -42.1 83.9 72.0 46.2 150 214 A W H << S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.750 104.3 51.9 -68.0 -22.7 82.4 70.0 49.0 151 215 A I H << S+ 0 0 13 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.870 118.4 37.4 -78.4 -36.4 82.2 66.8 47.0 152 216 A G H < S+ 0 0 56 -4,-1.9 2,-1.5 2,-0.0 -2,-0.2 0.528 85.4 113.2 -90.1 -9.3 85.7 67.1 46.0 153 217 A D >< + 0 0 27 -4,-1.3 3,-0.6 -5,-0.2 8,-0.1 -0.510 38.9 174.2 -71.8 100.4 87.0 68.4 49.3 154 218 A K T 3 + 0 0 185 -2,-1.5 -1,-0.2 1,-0.2 -4,-0.1 -0.071 67.6 56.8 -96.6 31.4 89.0 65.5 50.4 155 219 A E T 3 S+ 0 0 177 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.331 91.1 88.6-132.9 -1.5 90.5 67.1 53.5 156 220 A A S < S- 0 0 11 -3,-0.6 2,-0.1 1,-0.1 0, 0.0 -0.723 73.0-105.3-114.0 159.6 87.4 67.9 55.2 157 221 A T > - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.204 18.5-120.3 -84.2 164.3 85.3 66.3 57.5 158 222 A Y H > S+ 0 0 8 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.923 116.0 57.5 -62.5 -41.5 81.9 64.7 57.3 159 223 A G H > S+ 0 0 3 60,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.891 109.8 45.1 -57.7 -38.4 80.8 67.1 60.0 160 224 A E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 115.4 45.0 -70.8 -45.6 81.8 69.9 57.7 161 225 A R H X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.855 108.6 56.5 -69.8 -32.6 80.3 68.4 54.5 162 226 A V H X S+ 0 0 4 -4,-3.3 4,-1.6 -5,-0.2 -1,-0.2 0.914 108.6 48.3 -63.4 -40.6 77.0 67.5 56.3 163 227 A V H X S+ 0 0 1 -4,-1.2 4,-1.7 -5,-0.3 -2,-0.2 0.953 111.2 51.0 -66.1 -44.1 76.6 71.1 57.3 164 228 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.914 108.5 49.3 -59.9 -42.1 77.3 72.2 53.8 165 229 A F H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.860 107.8 54.7 -71.2 -25.0 74.8 70.0 52.2 166 230 A A H X S+ 0 0 2 -4,-1.6 4,-1.1 -5,-0.2 5,-0.4 0.833 108.9 49.8 -71.0 -30.9 72.3 71.1 54.7 167 231 A A H X>S+ 0 0 0 -4,-1.7 4,-2.6 3,-0.2 5,-2.1 0.937 110.8 49.7 -74.9 -38.0 73.1 74.6 53.5 168 232 A V H X5S+ 0 0 3 -4,-3.0 4,-0.7 1,-0.2 5,-0.4 0.996 118.3 37.0 -61.1 -59.2 72.7 73.6 49.9 169 233 A E H <5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.681 130.2 31.3 -68.8 -15.5 69.3 71.9 50.4 170 234 A G H <5S+ 0 0 18 -4,-1.1 -1,-0.2 -5,-0.2 4,-0.2 0.698 131.1 26.2-116.5 -21.8 68.0 74.3 52.8 171 235 A I H X5S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.4 3,-0.3 0.843 118.1 53.0-106.3 -43.4 69.5 77.6 52.0 172 236 A F T < S+ 0 0 2 -5,-0.4 4,-2.8 -6,-0.3 5,-0.2 0.597 94.4 85.9-108.0 -16.6 66.7 76.3 47.7 174 238 A S H > S+ 0 0 8 -3,-0.3 4,-2.1 1,-0.2 -2,-0.1 0.863 90.5 45.1 -53.2 -51.2 64.9 78.5 50.2 175 239 A G H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.909 114.2 49.3 -62.8 -45.5 64.5 81.6 48.1 176 240 A S H > S+ 0 0 0 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.905 111.2 48.2 -62.8 -47.2 63.4 79.7 45.1 177 241 A F H X S+ 0 0 18 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.965 111.4 51.7 -59.4 -44.9 60.9 77.7 46.9 178 242 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.893 106.9 53.2 -57.6 -40.9 59.6 80.9 48.4 179 243 A S H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.851 108.2 50.9 -65.0 -33.2 59.4 82.5 45.0 180 244 A I H X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.928 106.6 51.7 -72.9 -40.4 57.3 79.7 43.8 181 245 A F H X S+ 0 0 42 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.771 104.3 61.0 -64.9 -23.2 55.0 79.9 46.7 182 246 A W H X S+ 0 0 52 -4,-1.3 4,-1.7 2,-0.2 3,-0.3 0.923 101.5 51.5 -63.2 -48.8 54.6 83.6 45.9 183 247 A L H <>S+ 0 0 1 -4,-1.5 5,-1.9 1,-0.2 -2,-0.2 0.877 107.2 54.3 -55.0 -40.3 53.2 82.7 42.4 184 248 A K H ><5S+ 0 0 99 -4,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.856 102.8 54.8 -63.8 -40.5 50.7 80.4 44.1 185 249 A K H 3<5S+ 0 0 114 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.940 107.9 51.4 -57.9 -46.3 49.5 83.2 46.3 186 250 A R T 3<5S- 0 0 101 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.203 118.4-114.9 -76.3 13.4 48.9 85.0 43.0 187 251 A G T < 5 + 0 0 60 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.444 68.1 138.9 67.7 2.6 47.0 82.1 41.6 188 252 A L < - 0 0 39 -5,-1.9 -1,-0.2 1,-0.2 5,-0.1 -0.459 54.9 -1.3 -87.4 157.5 49.5 81.3 38.8 189 253 A M > - 0 0 0 -2,-0.2 4,-1.9 1,-0.1 5,-0.3 0.850 56.0-169.5 33.6 76.9 50.8 77.9 37.4 190 254 A P H > S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.766 83.0 52.3 -53.5 -41.2 49.2 75.2 39.4 191 255 A G H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.918 110.9 48.0 -68.5 -43.9 51.4 72.4 38.1 192 256 A L H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 118.7 41.6 -65.1 -32.0 54.5 74.3 39.0 193 257 A T H X S+ 0 0 11 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.780 109.7 54.2 -90.5 -27.7 53.2 75.0 42.3 194 258 A F H >X S+ 0 0 91 -4,-2.2 4,-1.2 -5,-0.3 3,-0.7 0.946 111.2 45.7 -69.6 -41.2 51.7 71.9 43.2 195 259 A S H >X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 3,-1.0 0.953 106.4 61.6 -62.7 -41.6 54.9 70.0 42.5 196 260 A N H 3X S+ 0 0 3 -4,-1.4 4,-2.1 1,-0.3 5,-0.3 0.766 98.5 56.7 -54.2 -27.6 56.8 72.6 44.4 197 261 A E H < S+ 0 0 0 -4,-2.1 3,-0.9 2,-0.2 4,-0.5 0.945 108.7 54.6 -65.6 -46.6 73.3 63.2 61.6 214 278 A F H >< S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.941 105.7 53.6 -49.6 -49.7 75.2 66.2 62.8 215 279 A K H 3< S+ 0 0 112 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.831 104.6 54.1 -55.5 -34.0 73.8 65.5 66.2 216 280 A H T << S+ 0 0 41 -4,-1.2 -207,-0.4 -3,-0.9 2,-0.3 0.400 89.4 103.0 -85.4 5.2 75.1 61.9 66.1 217 281 A L < - 0 0 9 -3,-1.7 3,-0.2 -4,-0.5 -210,-0.1 -0.690 53.0-167.0 -87.4 140.7 78.6 63.2 65.4 218 282 A V S S+ 0 0 79 -2,-0.3 2,-1.2 1,-0.2 -1,-0.2 0.933 81.5 41.9 -87.8 -59.2 81.1 63.3 68.2 219 283 A H S S+ 0 0 106 -216,-0.1 -60,-0.2 0, 0.0 -1,-0.2 -0.683 80.1 167.3 -89.4 87.5 83.8 65.5 66.7 220 284 A K - 0 0 82 -2,-1.2 3,-0.1 -3,-0.2 -60,-0.0 -0.659 41.5 -84.5-105.0 165.6 82.0 68.3 64.9 221 285 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.199 54.9 -92.8 -58.7 157.2 83.2 71.6 63.6 222 286 A A >> - 0 0 70 1,-0.1 4,-2.2 4,-0.0 3,-1.1 -0.385 37.4-108.8 -70.5 153.3 83.6 74.5 65.9 223 287 A E H 3> S+ 0 0 79 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.770 119.8 56.2 -53.9 -31.0 80.6 76.8 66.1 224 288 A Q H 3> S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.838 104.6 51.0 -70.7 -33.6 82.7 79.4 64.2 225 289 A R H <> S+ 0 0 53 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.962 109.8 49.3 -69.0 -45.5 83.3 77.2 61.4 226 290 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.886 110.0 52.2 -56.8 -43.5 79.7 76.3 61.1 227 291 A R H X S+ 0 0 75 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.851 109.3 50.8 -62.8 -37.0 78.7 80.1 61.1 228 292 A E H X S+ 0 0 84 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.934 109.1 47.0 -74.3 -37.3 81.1 80.7 58.5 229 293 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.909 117.7 45.4 -65.9 -36.3 79.9 78.0 56.1 230 294 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.922 112.0 50.1 -72.0 -42.8 76.3 79.1 56.7 231 295 A T H X S+ 0 0 43 -4,-2.4 4,-2.6 -5,-0.2 3,-0.4 0.967 108.4 53.2 -59.1 -51.4 77.1 82.7 56.3 232 296 A N H X S+ 0 0 65 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.872 110.8 47.1 -52.5 -42.7 78.9 82.0 53.1 233 297 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.3 0.864 108.6 55.0 -71.5 -31.6 76.0 80.3 51.7 234 298 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 -3,-0.4 5,-0.2 0.960 108.4 49.2 -64.0 -46.8 73.5 83.0 52.8 235 299 A R H X S+ 0 0 130 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.920 110.3 49.2 -57.0 -49.5 75.4 85.5 51.1 236 300 A I H X S+ 0 0 30 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.845 110.4 51.1 -59.8 -37.4 75.5 83.6 47.9 237 301 A E H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.905 109.9 50.8 -68.5 -38.9 71.8 82.9 48.0 238 302 A Q H X S+ 0 0 19 -4,-2.5 4,-0.8 1,-0.2 5,-0.4 0.937 108.3 51.8 -65.1 -46.5 71.0 86.6 48.5 239 303 A E H >X>S+ 0 0 57 -4,-2.4 4,-2.4 -5,-0.2 5,-1.6 0.937 109.3 48.8 -58.7 -43.1 73.1 87.5 45.6 240 304 A F H 3<>S+ 0 0 8 -4,-1.7 5,-2.2 1,-0.2 -1,-0.2 0.888 112.2 50.4 -64.1 -35.8 71.4 85.1 43.3 241 305 A L H 3<5S+ 0 0 0 -4,-2.0 6,-1.8 3,-0.2 -1,-0.2 0.496 123.1 25.2 -83.4 -5.4 68.1 86.2 44.4 242 306 A T H <<5S+ 0 0 23 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.507 134.5 22.3-131.1 -17.1 68.5 89.9 43.9 243 307 A E T <5S+ 0 0 130 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.768 124.7 36.8-116.0 -65.1 71.2 90.2 41.5 244 308 A A T - 0 0 35 0, 0.0 3,-1.7 0, 0.0 -4,-0.2 -0.353 16.5-140.0 -64.6 128.7 66.0 89.2 40.8 247 311 A V G > >S+ 0 0 0 -6,-1.8 5,-2.1 1,-0.3 3,-1.4 0.548 95.2 84.5 -58.3 -13.1 62.7 88.4 42.4 248 312 A K G > 5S+ 0 0 165 1,-0.3 3,-4.4 3,-0.3 -1,-0.3 0.942 77.8 72.8 -49.8 -50.2 61.6 91.9 41.1 249 313 A L G < 5S+ 0 0 30 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.722 104.7 33.3 -38.5 -35.7 60.9 89.8 38.0 250 314 A I G < 5S- 0 0 0 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.194 129.5 -92.3-114.0 22.2 57.9 88.2 39.5 251 315 A G T < 5S+ 0 0 49 -3,-4.4 2,-0.3 1,-0.3 -3,-0.3 0.828 78.4 139.8 79.5 40.4 56.9 91.2 41.6 252 316 A M < - 0 0 14 -5,-2.1 2,-0.6 -6,-0.1 -1,-0.3 -0.833 56.2-111.6-118.2 156.0 58.7 90.5 44.7 253 317 A N > - 0 0 95 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.720 18.0-153.4 -85.3 110.4 60.6 92.8 47.0 254 318 A C H > S+ 0 0 32 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.765 91.2 58.1 -56.6 -25.5 64.3 92.0 47.0 255 319 A T H > S+ 0 0 84 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.892 105.0 45.9 -78.1 -37.3 64.7 93.3 50.5 256 320 A L H > S+ 0 0 58 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.816 109.8 57.8 -71.8 -28.4 62.3 91.1 52.1 257 321 A M H >X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 3,-1.1 0.964 102.8 53.2 -61.3 -52.9 63.8 88.2 50.2 258 322 A K H 3X S+ 0 0 88 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.786 109.9 49.0 -51.5 -32.7 67.2 88.9 51.6 259 323 A Q H 3X S+ 0 0 57 -4,-1.1 4,-1.4 2,-0.2 -1,-0.3 0.678 104.9 55.2 -82.6 -26.3 65.8 88.8 55.1 260 324 A Y H S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.3 0.922 109.7 48.2 -54.3 -43.9 71.5 77.1 63.1 270 334 A L H ><5S+ 0 0 86 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.870 107.6 53.6 -67.2 -40.0 69.0 76.3 65.9 271 335 A E H 3<5S+ 0 0 63 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.786 106.5 53.2 -63.6 -27.2 68.3 73.0 64.5 272 336 A L T 3<5S- 0 0 8 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.519 125.1-104.0 -84.7 -4.1 72.0 72.3 64.6 273 337 A G T < 5S+ 0 0 61 -3,-1.1 -3,-0.2 1,-0.3 2,-0.1 0.511 82.4 111.4 98.3 7.9 72.1 73.3 68.2 274 338 A F S - 0 0 14 1,-0.2 3,-1.1 -28,-0.1 -2,-0.0 -0.806 54.4-167.1-100.2 107.9 56.6 86.2 54.5 285 349 A D G > S+ 0 0 112 -2,-0.8 3,-0.8 1,-0.2 -1,-0.2 0.879 91.7 50.0 -44.6 -52.6 53.2 85.8 55.9 286 350 A F G 3 S+ 0 0 49 1,-0.2 -1,-0.2 -108,-0.0 -2,-0.0 0.550 97.9 65.1 -65.0 -24.4 52.5 82.9 53.5 287 351 A M G < 0 0 39 -3,-1.1 -1,-0.2 -105,-0.0 -2,-0.1 0.021 360.0 360.0 -89.8 13.6 55.8 80.9 54.3 288 352 A E < 0 0 119 -3,-0.8 -3,-0.0 -6,-0.0 0, 0.0 -0.780 360.0 360.0-108.3 360.0 54.4 80.4 57.8