==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 19-MAR-03 1OE6 . COMPND 2 MOLECULE: SINGLE-STRAND SELECTIVE MONOFUNCTIONAL URACIL DNA . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR J.E.A.WIBLEY,L.H.PEARL . 489 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.9 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 . 2 0.4 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 . 17 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 2 2 0 0 0 0 3 1 1 2 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 4 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 2 2 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 2 2 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 37 A S 0 0 93 0, 0.0 50,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 173.9 -13.1 37.1 31.8 2 38 A P > + 0 0 4 0, 0.0 4,-3.4 0, 0.0 5,-0.3 -0.960 360.0 59.3 -70.0 -4.1 -10.7 37.1 33.6 3 39 A A H > S+ 0 0 6 45,-0.8 4,-2.2 1,-0.2 5,-0.2 0.922 111.9 39.7 -53.9 -50.1 -11.4 33.4 32.6 4 40 A D H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 118.2 45.2 -72.1 -34.3 -11.0 34.2 28.9 5 41 A S H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 110.3 55.8 -70.4 -42.7 -8.1 36.6 29.2 6 42 A F H X S+ 0 0 2 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.952 109.8 47.4 -55.4 -46.2 -6.3 34.2 31.7 7 43 A L H X S+ 0 0 9 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.863 107.1 54.2 -62.5 -39.6 -6.6 31.5 29.1 8 44 A K H X S+ 0 0 146 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.945 108.0 53.0 -56.8 -48.0 -5.3 33.7 26.2 9 45 A V H X S+ 0 0 11 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.887 110.8 46.4 -58.0 -40.0 -2.3 34.4 28.4 10 46 A E H X S+ 0 0 9 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.867 111.2 49.4 -73.2 -34.9 -1.7 30.8 28.8 11 47 A L H X S+ 0 0 84 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.834 110.2 51.9 -68.7 -32.3 -2.1 29.9 25.1 12 48 A E H X S+ 0 0 91 -4,-2.8 4,-1.9 -5,-0.2 5,-0.2 0.971 110.7 52.0 -64.8 -43.2 0.4 32.8 24.2 13 49 A L H X S+ 0 0 16 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.908 104.7 52.2 -54.3 -46.5 2.7 31.2 26.7 14 50 A N H X S+ 0 0 17 -4,-2.0 4,-3.4 1,-0.2 -1,-0.2 0.909 108.1 54.4 -59.1 -43.4 2.4 27.7 25.2 15 51 A L H X S+ 0 0 116 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.933 107.5 46.9 -60.5 -51.4 3.4 29.1 21.8 16 52 A K H >X S+ 0 0 67 -4,-1.9 4,-1.1 1,-0.2 3,-1.1 0.984 116.5 47.9 -51.0 -49.2 6.5 30.7 23.1 17 53 A L H 3< S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 99.6 63.6 -59.7 -40.0 7.2 27.4 24.8 18 54 A S H 3< S+ 0 0 82 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 101.8 57.9 -51.9 -29.4 6.5 25.2 21.7 19 55 A N H << S+ 0 0 121 -4,-1.2 -2,-0.2 -3,-1.1 -1,-0.2 0.922 89.3 83.7 -66.0 -43.3 9.5 27.0 20.1 20 56 A L < - 0 0 44 -4,-1.1 2,-0.3 -3,-0.2 320,-0.0 -0.024 60.9-154.5 -69.7 175.5 12.2 26.2 22.6 21 57 A V - 0 0 124 140,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.982 7.2-165.8-148.7 142.5 14.2 23.1 22.6 22 58 A F + 0 0 30 -2,-0.3 2,-0.3 5,-0.1 7,-0.0 -0.479 17.0 142.1-117.7 176.6 16.0 21.3 25.5 23 59 A Q > + 0 0 95 -2,-0.2 3,-3.0 5,-0.1 4,-0.1 -0.981 31.5 79.1-170.2-163.6 18.6 18.6 25.8 24 60 A D T 3 S+ 0 0 125 1,-0.4 -2,-0.0 -2,-0.3 3,-0.0 -0.617 123.3 1.7 101.9 -96.4 21.5 17.3 27.6 25 61 A P T 3 S+ 0 0 47 0, 0.0 2,-0.7 0, 0.0 122,-0.4 0.559 119.2 88.9 -84.7 -27.5 20.1 15.8 30.7 26 62 A V < + 0 0 6 -3,-3.0 120,-0.2 1,-0.2 3,-0.1 -0.668 42.5 156.2 -74.1 117.2 16.5 16.7 29.5 27 63 A Q + 0 0 113 118,-3.1 2,-0.4 -2,-0.7 119,-0.2 0.774 61.9 33.7-111.1 -29.8 15.2 13.8 27.4 28 64 A Y E -A 145 0A 50 117,-1.6 117,-2.4 -5,-0.1 -1,-0.3 -0.971 57.4-174.8-126.9 153.0 11.5 14.3 27.8 29 65 A V E -A 144 0A 57 -2,-0.4 2,-0.3 115,-0.2 115,-0.2 -0.947 6.3-167.6-140.1 120.1 9.3 17.2 28.1 30 66 A Y E -A 143 0A 4 113,-2.5 113,-3.4 -2,-0.3 3,-0.0 -0.816 7.9-165.9-109.9 146.1 5.6 17.2 28.7 31 67 A N >> - 0 0 26 -2,-0.3 3,-2.9 111,-0.2 4,-0.9 -0.802 2.7-174.9-123.1 99.5 3.1 20.1 28.5 32 68 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 8,-0.2 0.697 80.4 74.3 -77.4 2.2 -0.3 19.3 30.1 33 69 A L H 34 S+ 0 0 4 108,-0.3 -19,-0.1 2,-0.1 109,-0.1 0.736 105.6 37.2 -86.6 -5.0 -1.6 22.4 28.9 34 70 A V H X4 S+ 0 0 98 -3,-2.9 3,-1.6 2,-0.1 4,-0.2 0.842 126.3 31.6 -96.8 -66.0 -1.7 20.8 25.5 35 71 A Y H 3< S+ 0 0 13 -4,-0.9 55,-2.7 1,-0.3 -2,-0.1 0.647 130.8 38.6 -66.7 -18.3 -2.7 17.2 26.1 36 72 A A T 3X S+ 0 0 0 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.3 0.016 75.8 125.9-118.4 35.3 -4.8 18.1 29.1 37 73 A W H <> + 0 0 54 -3,-1.6 4,-3.1 1,-0.2 5,-0.3 0.880 65.4 59.5 -55.9 -38.9 -6.3 21.4 28.0 38 74 A A H > S+ 0 0 42 50,-0.3 4,-2.7 2,-0.2 5,-0.2 0.964 108.2 40.2 -66.9 -55.6 -9.9 20.4 28.5 39 75 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.906 116.6 55.5 -64.4 -26.1 -9.8 19.8 32.3 40 76 A H H X S+ 0 0 2 -4,-1.8 4,-2.7 -8,-0.2 -2,-0.2 0.923 109.6 42.9 -66.4 -39.7 -7.6 22.8 32.5 41 77 A E H X S+ 0 0 69 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.886 112.2 53.9 -76.2 -28.8 -10.0 25.1 30.8 42 78 A N H X S+ 0 0 64 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.967 109.3 51.5 -61.7 -43.0 -13.0 23.6 32.8 43 79 A Y H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.942 114.3 41.0 -58.4 -54.7 -10.9 24.4 35.9 44 80 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.955 114.9 50.0 -60.1 -58.7 -10.4 27.9 34.9 45 81 A Q H < S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.2 44.3 -43.2 -41.2 -13.9 28.5 33.6 46 82 A T H < S+ 0 0 45 -4,-2.9 3,-0.2 -5,-0.3 -2,-0.2 0.960 126.3 24.7 -78.8 -44.0 -15.3 27.1 36.8 47 83 A Y H < S+ 0 0 17 -4,-2.8 3,-0.2 -5,-0.2 -2,-0.2 0.389 110.8 64.1-111.2 2.2 -13.1 28.9 39.4 48 84 A C < + 0 0 0 -4,-2.5 -45,-0.8 -5,-0.3 -1,-0.2 -0.439 59.8 126.5-122.7 63.5 -11.8 32.0 37.8 49 85 A K S S+ 0 0 168 -3,-0.2 2,-0.3 82,-0.2 -1,-0.1 0.484 71.1 24.6 -96.0 -16.3 -15.1 33.9 37.3 50 86 A S S S- 0 0 43 -3,-0.2 2,-0.1 82,-0.0 83,-0.0 -0.851 97.2 -75.5-139.9 178.5 -14.3 37.2 39.0 51 87 A K - 0 0 134 -2,-0.3 2,-0.3 -50,-0.1 130,-0.2 -0.466 53.2-136.9 -67.6 164.0 -11.1 39.2 39.8 52 88 A K - 0 0 9 128,-2.7 131,-0.4 -2,-0.1 132,-0.2 -0.906 24.6-158.6-127.9 152.6 -9.0 37.9 42.7 53 89 A E S S+ 0 0 96 80,-1.2 131,-3.1 -2,-0.3 130,-1.6 0.954 82.3 42.2 -91.9 -45.6 -7.1 39.1 45.8 54 90 A V E -cd 134 184B 0 79,-2.0 81,-1.5 129,-0.2 2,-0.5 -0.774 57.0-168.5-117.2 145.9 -4.7 36.0 46.3 55 91 A L E -cd 135 185B 0 129,-1.2 131,-2.2 -2,-0.3 2,-0.4 -0.923 9.8-156.2-127.5 101.0 -2.7 33.9 43.9 56 92 A F E -cd 136 186B 0 79,-2.8 81,-1.8 -2,-0.5 2,-0.5 -0.700 18.5-164.1 -75.9 134.8 -1.2 30.8 45.1 57 93 A L E -cd 137 187B 0 129,-3.7 131,-2.2 -2,-0.4 81,-0.3 -0.950 9.4-174.2-125.8 115.7 1.8 30.0 42.8 58 94 A G E -c 138 0B 0 79,-2.6 81,-2.1 -2,-0.5 82,-0.2 -0.358 29.8-119.3 -94.0-173.3 3.5 26.7 42.6 59 95 A M S S- 0 0 35 1,-0.4 81,-1.8 79,-0.2 -1,-0.1 0.960 70.6 -42.1 -94.8 -61.2 6.7 26.1 40.5 60 96 A N - 0 0 19 79,-0.2 -1,-0.4 78,-0.1 83,-0.1 -0.964 69.6 -65.4-162.0 172.6 5.7 23.4 38.0 61 97 A P - 0 0 2 0, 0.0 81,-0.0 0, 0.0 77,-0.0 -0.098 38.6-135.9 -67.0 147.9 3.8 20.2 37.6 62 98 A G > > - 0 0 10 1,-0.1 3,-1.8 81,-0.1 5,-1.7 -0.822 28.4-106.5-100.9 164.8 4.6 17.0 39.2 63 99 A P T 3 5S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 0.698 115.0 31.3 -63.1 -27.3 4.5 13.8 37.4 64 100 A F T 3 5S+ 0 0 37 3,-0.1 12,-0.5 37,-0.1 46,-0.5 0.191 120.3 42.0-115.4 15.2 1.3 12.5 39.0 65 101 A G T X>5S+ 0 0 1 -3,-1.8 3,-2.2 10,-0.2 4,-2.1 0.290 126.9 7.1-120.1-100.0 -0.8 15.7 39.7 66 102 A M H 3>5S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 9,-0.0 0.887 123.1 66.4 -56.5 -39.2 -1.0 18.4 37.1 67 103 A A H 34 S- 0 0 0 3,-0.2 3,-2.6 -6,-0.2 -2,-0.3 -0.938 77.5-101.6-113.9 144.9 -4.9 21.4 37.4 72 108 A P T 3 S+ 0 0 2 0, 0.0 3,-0.1 0, 0.0 64,-0.0 -0.345 110.5 1.7 -67.2 142.0 -2.3 23.0 39.5 73 109 A F T 3 S+ 0 0 20 1,-0.2 2,-1.9 -13,-0.1 44,-0.2 0.719 95.6 176.5 37.9 37.4 -1.4 20.7 42.3 74 110 A G < + 0 0 0 -3,-2.6 -5,-0.3 -12,-0.1 -6,-0.2 -0.403 11.6 176.6 -83.7 66.0 -3.9 18.4 40.7 75 111 A E > - 0 0 6 -2,-1.9 4,-1.8 35,-0.1 5,-0.2 -0.439 36.6-122.7 -55.4 136.7 -4.0 15.2 42.7 76 112 A V H > S+ 0 0 8 -12,-0.5 4,-2.6 32,-0.4 5,-0.3 0.872 101.9 48.6 -70.4 -38.7 -6.6 13.0 41.1 77 113 A N H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.976 114.5 43.6 -67.0 -39.0 -8.8 12.3 44.1 78 114 A H H >>S+ 0 0 38 2,-0.2 5,-2.0 1,-0.2 4,-1.6 0.842 115.0 51.1 -72.9 -26.8 -9.1 15.9 45.3 79 115 A V H <>S+ 0 0 0 -4,-1.8 6,-1.3 3,-0.2 5,-0.8 0.969 117.1 37.5 -72.7 -56.0 -9.6 17.2 41.7 80 116 A R H <5S+ 0 0 84 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.901 127.7 34.6 -60.9 -37.3 -12.4 14.7 40.9 81 117 A D H <5S+ 0 0 120 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.891 129.7 20.4 -97.0 -40.2 -14.0 14.8 44.2 82 118 A W T <5S+ 0 0 17 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.905 133.7 32.6 -98.0 -47.0 -13.7 18.2 45.7 83 119 A L T - 0 0 14 -2,-0.5 3,-1.4 3,-0.3 52,-0.1 -0.481 33.1-123.9 -59.4 133.6 9.0 8.0 28.9 97 133 A P T 3 S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.727 107.5 48.8 -64.7 -23.5 7.8 4.4 29.6 98 134 A K T 3 S+ 0 0 135 1,-0.2 -2,-0.0 0, 0.0 50,-0.0 0.434 114.2 48.9 -99.2 9.9 7.8 4.6 33.2 99 135 A R S < S+ 0 0 59 -3,-1.4 -3,-0.3 2,-0.0 2,-0.2 -0.405 73.0 159.7-141.3 48.8 5.8 7.9 33.2 100 136 A R - 0 0 159 -3,-0.5 2,-0.6 -5,-0.1 -9,-0.0 -0.507 42.1-116.8 -70.7 140.8 3.0 7.3 30.8 101 137 A I + 0 0 16 -2,-0.2 -33,-0.1 1,-0.1 -1,-0.1 -0.748 39.2 164.8 -86.0 125.7 0.1 9.6 31.1 102 138 A R > - 0 0 129 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.288 27.2-153.7-125.3 10.8 -3.1 8.1 32.2 103 139 A G G > S+ 0 0 2 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 -0.215 76.5 1.3 62.7-131.4 -5.2 11.2 33.2 104 140 A F G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -17,-0.3 -35,-0.1 0.437 130.1 66.1 -82.8 6.3 -8.0 10.5 35.8 105 141 A E G < + 0 0 130 -3,-1.8 -1,-0.3 -37,-0.1 -2,-0.2 0.477 63.5 128.5-102.0 -9.7 -6.8 6.9 35.8 106 142 A C < - 0 0 13 -3,-1.6 -30,-0.1 1,-0.2 -5,-0.0 -0.242 46.8-158.5 -37.9 115.8 -3.5 7.5 37.3 107 143 A P + 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -43,-0.0 0.898 67.5 90.1 -76.0 -27.9 -3.3 5.0 40.3 108 144 A Q - 0 0 92 1,-0.1 2,-0.5 -32,-0.0 -32,-0.4 -0.175 68.7-145.1 -66.9 140.7 -0.5 7.2 42.0 109 145 A S - 0 0 61 -34,-0.1 2,-0.6 -33,-0.1 -44,-0.1 -0.942 13.2-133.0-104.3 125.7 -1.4 10.0 44.4 110 146 A E > - 0 0 38 -2,-0.5 4,-2.8 -46,-0.5 5,-0.2 -0.714 13.1-152.3 -75.7 121.2 0.8 13.2 44.3 111 147 A V H > S+ 0 0 59 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.978 92.1 53.5 -61.1 -47.9 1.6 13.9 48.1 112 148 A S H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 111.5 41.9 -51.6 -51.4 2.0 17.5 47.4 113 149 A G H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.927 112.3 55.5 -68.7 -34.2 -1.3 18.0 45.7 114 150 A A H X S+ 0 0 20 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.886 112.1 42.5 -63.7 -39.2 -3.0 15.9 48.1 115 151 A R H X S+ 0 0 64 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.971 115.2 50.1 -70.5 -41.8 -1.7 18.1 51.1 116 152 A F H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.882 115.0 38.8 -68.7 -49.7 -2.3 21.2 49.4 117 153 A W H X S+ 0 0 0 -4,-3.6 4,-3.1 -44,-0.2 -1,-0.2 0.923 113.6 56.7 -70.9 -28.3 -6.0 20.6 48.3 118 154 A S H X S+ 0 0 39 -4,-1.9 4,-1.7 -5,-0.4 -1,-0.2 0.861 103.9 54.7 -64.3 -38.8 -6.8 18.8 51.5 119 155 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.961 110.7 42.9 -62.3 -51.0 -5.7 21.8 53.5 120 156 A F H X S+ 0 0 0 -4,-1.4 4,-3.1 1,-0.2 5,-0.3 0.947 109.9 58.3 -68.6 -33.2 -8.0 24.1 51.7 121 157 A K H X S+ 0 0 101 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.845 111.4 42.9 -55.4 -33.8 -10.9 21.6 51.8 122 158 A S H < S+ 0 0 73 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.870 117.4 46.1 -88.2 -47.0 -10.7 21.6 55.5 123 159 A L H < S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.836 130.5 17.0 -49.5 -46.6 -10.3 25.2 55.8 124 160 A C H < S- 0 0 14 -4,-3.1 2,-1.9 -5,-0.2 5,-0.2 0.447 80.7-152.5-117.4 -7.7 -13.0 26.3 53.4 125 161 A G S < S+ 0 0 33 -4,-1.4 -4,-0.1 -5,-0.3 -1,-0.1 -0.195 74.6 41.4 63.7 -57.5 -15.3 23.3 52.9 126 162 A Q S >> S- 0 0 120 -2,-1.9 3,-1.2 1,-0.0 4,-0.9 -0.978 83.4-124.7-126.0 136.5 -16.7 23.9 49.5 127 163 A P H >> S+ 0 0 5 0, 0.0 4,-3.1 0, 0.0 3,-0.9 0.832 103.0 69.3 -56.8 -44.5 -14.5 25.1 46.7 128 164 A E H 3> S+ 0 0 117 1,-0.3 4,-0.7 2,-0.2 -3,-0.1 0.860 101.1 53.2 -41.2 -33.9 -16.6 28.2 45.8 129 165 A T H <4 S+ 0 0 40 -3,-1.2 4,-0.4 2,-0.2 -1,-0.3 0.800 107.8 46.1 -72.0 -41.0 -15.5 29.5 49.1 130 166 A F H - 0 0 21 4,-1.8 3,-2.9 -2,-0.3 -120,-0.1 -0.485 47.8 -84.1-103.9 172.2 15.9 12.5 32.4 147 183 A H T 3 S+ 0 0 128 -122,-0.4 -121,-0.1 1,-0.3 -1,-0.0 0.869 133.4 48.6 -49.7 -43.9 16.7 9.3 30.4 148 184 A S T 3 S- 0 0 56 1,-0.1 -1,-0.3 -52,-0.1 -3,-0.0 0.490 120.6-111.7 -71.0 -6.0 15.8 7.1 33.5 149 185 A G < + 0 0 1 -3,-2.9 -2,-0.1 1,-0.3 2,-0.1 0.484 65.7 149.6 82.2 5.9 12.5 9.1 33.8 150 186 A K - 0 0 120 1,-0.1 -4,-1.8 -5,-0.1 2,-0.3 -0.423 53.3-102.7 -67.9 145.9 13.5 10.9 37.1 151 187 A N E -B 145 0A 48 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.558 30.4-159.5 -72.6 132.6 11.8 14.4 37.4 152 188 A L E -B 144 0A 7 -8,-2.9 -8,-0.7 -2,-0.3 5,-0.0 -0.972 8.3-151.2-107.9 121.0 13.9 17.6 36.7 153 189 A T - 0 0 22 -2,-0.5 4,-0.4 -10,-0.1 3,-0.4 -0.264 36.0-100.4 -78.1 169.8 12.7 20.8 38.2 154 190 A P S > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.940 128.0 55.2 -59.2 -30.2 13.4 24.1 36.6 155 191 A T T 3 S+ 0 0 68 1,-0.3 7,-0.1 7,-0.0 4,-0.0 0.810 101.0 56.0 -68.3 -34.8 16.1 24.3 39.3 156 192 A D T 3 S+ 0 0 85 -3,-0.4 -1,-0.3 2,-0.0 3,-0.0 0.423 89.4 103.2 -70.5 3.1 17.7 21.0 38.3 157 193 A L S < S- 0 0 4 -3,-1.3 5,-0.1 -4,-0.4 -4,-0.0 -0.580 86.3 -97.7 -89.7 155.3 18.1 22.3 34.8 158 194 A P >> - 0 0 40 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.426 44.9-110.1 -57.2 143.7 21.6 23.5 33.3 159 195 A K H 3> S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.698 113.1 55.8 -34.6 -50.3 21.6 27.4 33.6 160 196 A A H 3> S+ 0 0 12 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.872 112.2 41.5 -67.5 -35.9 21.4 28.1 29.9 161 197 A Q H <> S+ 0 0 17 -3,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.911 116.3 51.3 -72.3 -35.0 18.2 26.1 29.4 162 198 A R H X S+ 0 0 62 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.848 105.3 52.1 -72.5 -39.1 16.7 27.4 32.7 163 199 A D H X S+ 0 0 18 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.878 108.0 51.6 -72.3 -34.8 17.2 31.2 32.1 164 200 A T H X S+ 0 0 29 -4,-1.0 4,-1.8 -5,-0.2 3,-0.5 0.969 115.2 42.3 -65.7 -54.5 15.5 31.1 28.7 165 201 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.935 114.3 49.4 -56.3 -48.0 12.4 29.3 30.1 166 202 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.702 109.4 50.4 -70.3 -21.9 12.1 31.3 33.3 167 203 A E H X S+ 0 0 80 -4,-1.5 4,-0.7 -3,-0.5 -1,-0.3 0.810 110.5 49.6 -89.5 -35.9 12.4 34.5 31.6 168 204 A I H X S+ 0 0 26 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.3 0.763 113.6 50.6 -60.8 -26.5 9.6 33.4 29.1 169 205 A C H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.1 -2,-0.2 0.926 101.4 57.3 -82.6 -45.0 7.7 32.3 32.4 170 206 A D H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -1,-0.1 0.803 104.4 52.8 -26.4 -63.4 8.0 35.8 34.4 171 207 A E H >X S+ 0 0 106 -4,-0.7 4,-2.8 2,-0.2 3,-0.6 0.979 114.1 46.6 -41.3 -79.4 6.1 38.0 31.3 172 208 A A H 3X S+ 0 0 9 -4,-0.9 4,-2.6 1,-0.3 5,-0.2 0.760 108.9 51.4 -28.5 -59.7 3.3 35.5 31.6 173 209 A L H 3X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -1,-0.3 0.953 114.3 44.6 -51.0 -51.6 3.3 35.7 35.3 174 210 A C H S+ 0 0 3 -4,-2.8 4,-1.2 2,-0.2 5,-1.0 0.909 112.7 49.2 -72.0 -45.1 -1.3 39.0 37.7 178 214 A R H ><5S+ 0 0 142 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.989 112.6 51.0 -57.3 -51.5 -2.5 42.2 35.7 179 215 A V H 3<5S+ 0 0 46 -4,-4.1 -2,-0.2 1,-0.2 -3,-0.2 0.928 113.9 40.0 -57.3 -41.6 -5.3 40.0 34.3 180 216 A L H 3<5S- 0 0 0 -4,-2.5 -128,-2.7 -5,-0.1 -1,-0.2 0.594 102.3-124.9 -79.8 -10.6 -6.7 38.7 37.6 181 217 A G T <<5 - 0 0 23 -4,-1.2 -3,-0.2 -3,-0.9 -4,-0.1 0.697 42.9-178.3 77.8 19.6 -6.3 41.9 39.6 182 218 A V < + 0 0 4 -5,-1.0 -129,-0.2 -6,-0.2 -1,-0.2 -0.218 24.6 178.4 -62.8 131.7 -4.2 40.1 42.1 183 219 A K S S+ 0 0 93 -130,-1.6 25,-1.9 -131,-0.4 2,-0.4 0.677 72.9 39.5-101.8 -25.5 -3.1 42.2 45.1 184 220 A L E -de 54 208B 25 -131,-3.1 -129,-1.2 -132,-0.2 2,-0.4 -0.987 61.5-169.4-130.8 132.3 -1.3 39.3 46.9 185 221 A V E -de 55 209B 0 23,-2.0 25,-2.1 -2,-0.4 2,-0.6 -0.986 5.2-165.2-114.0 130.5 0.8 36.5 45.5 186 222 A I E -de 56 210B 0 -131,-2.2 -129,-3.7 -2,-0.4 2,-0.4 -0.949 10.4-149.3-117.4 119.3 1.9 33.6 47.7 187 223 A G E -de 57 211B 0 23,-1.8 25,-1.5 -2,-0.6 2,-0.9 -0.697 10.3-140.1 -82.9 140.5 4.6 31.4 46.3 188 224 A V E S+ e 0 212B 1 -131,-2.2 4,-0.3 -2,-0.4 -129,-0.2 -0.947 81.1 10.3-115.3 100.4 4.3 27.9 47.5 189 225 A G S > S- 0 0 9 23,-2.6 4,-2.5 -2,-0.9 5,-0.2 0.051 93.4 -90.9 101.2 154.0 7.9 27.2 48.1 190 226 A R H > S+ 0 0 169 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.876 119.0 62.0 -64.9 -39.1 10.9 29.5 48.2 191 227 A F H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 109.6 37.4 -58.2 -49.7 11.6 29.1 44.6 192 228 A S H > S+ 0 0 2 -4,-0.3 4,-2.8 1,-0.2 5,-0.3 0.889 114.8 57.6 -69.9 -39.3 8.3 30.6 43.3 193 229 A E H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.959 114.4 36.3 -49.0 -51.0 8.3 33.1 46.1 194 230 A Q H X S+ 0 0 96 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.842 115.7 55.0 -77.0 -23.4 11.7 34.4 45.1 195 231 A R H X S+ 0 0 55 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.956 109.4 44.5 -78.0 -32.8 11.1 34.0 41.6 196 232 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.786 109.1 55.1 -81.1 -34.6 7.9 36.0 41.5 197 233 A R H X S+ 0 0 74 -4,-2.2 4,-2.1 -5,-0.3 5,-0.4 0.988 109.2 48.5 -58.8 -49.6 9.2 38.9 43.6 198 234 A K H X S+ 0 0 125 -4,-1.9 4,-2.2 1,-0.2 3,-0.3 0.938 116.8 46.6 -48.0 -50.2 12.1 39.4 41.2 199 235 A A H X S+ 0 0 7 -4,-2.1 4,-1.1 1,-0.3 -1,-0.2 0.798 115.7 36.8 -76.4 -29.1 9.6 39.3 38.5 200 236 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 -3,-0.2 -1,-0.3 0.693 111.3 59.1 -93.9 -22.3 6.8 41.6 39.6 201 237 A M H ><5S+ 0 0 113 -4,-2.1 3,-2.3 -3,-0.3 -2,-0.2 0.949 101.7 58.4 -73.1 -48.3 9.1 44.1 41.2 202 238 A A H 3<5S+ 0 0 74 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.1 0.878 109.3 40.8 -42.2 -48.8 10.8 44.5 37.8 203 239 A E T 3<5S- 0 0 124 -4,-1.1 -1,-0.3 1,-0.1 -2,-0.1 0.541 113.1-125.3 -86.4 4.8 7.5 45.6 35.9 204 240 A G T < 5 - 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