==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-12 4B34 . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR D.E.SCOTT,M.T.EHEBAUER,T.PUKALA,M.MARSH,T.L.BLUNDELL, . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.1 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 3 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 1 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 . 2 0 0 0 0 0 1 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 1 108 A A 0 0 107 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 141.3 -0.5 6.0 -14.9 2 109 A T - 0 0 128 1,-0.1 2,-0.1 167,-0.0 21,-0.0 -0.403 360.0 -96.9 -64.7 142.5 -2.7 3.2 -13.6 3 110 A I - 0 0 64 -2,-0.1 2,-0.3 21,-0.1 -1,-0.1 -0.429 42.0-154.1 -62.6 130.6 -2.0 2.3 -10.0 4 111 A G - 0 0 14 -2,-0.1 19,-2.5 -3,-0.1 2,-0.4 -0.743 2.9-147.7-103.0 157.6 0.3 -0.7 -9.8 5 112 A R E -A 22 0A 99 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.977 2.6-150.3-129.5 141.7 0.5 -3.2 -6.9 6 113 A I E -A 21 0A 0 15,-2.3 15,-2.2 -2,-0.4 50,-0.2 -0.939 25.1-122.3-109.1 125.7 3.3 -5.2 -5.5 7 114 A S - 0 0 19 48,-3.0 13,-0.1 -2,-0.5 40,-0.1 -0.404 7.3-149.3 -63.7 138.8 2.6 -8.5 -3.8 8 115 A T - 0 0 0 2,-0.3 211,-0.3 -2,-0.1 -1,-0.1 0.475 46.3-108.0 -80.8 -5.7 3.7 -8.8 -0.2 9 116 A G S S+ 0 0 16 1,-0.2 2,-0.6 46,-0.1 212,-0.5 -0.007 96.5 96.1 95.7 -27.4 4.2 -12.6 -0.7 10 117 A S > - 0 0 0 210,-0.3 4,-2.9 1,-0.2 -2,-0.3 -0.867 59.6-159.9-101.7 120.0 1.1 -13.3 1.4 11 118 A K H > S+ 0 0 161 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.871 96.6 52.5 -60.3 -37.4 -2.2 -13.9 -0.3 12 119 A S H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 112.8 42.6 -63.0 -49.6 -4.0 -13.1 2.9 13 120 A L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.890 111.9 55.3 -67.5 -38.9 -2.2 -9.8 3.4 14 121 A D H <>S+ 0 0 20 -4,-2.9 5,-3.4 2,-0.2 6,-0.5 0.911 106.4 51.3 -58.2 -42.3 -2.6 -9.0 -0.3 15 122 A K H ><5S+ 0 0 178 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.935 108.5 50.9 -61.1 -46.3 -6.4 -9.5 0.0 16 123 A L H 3<5S+ 0 0 24 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.847 112.2 48.3 -57.0 -35.5 -6.5 -7.1 3.0 17 124 A L T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 3,-0.2 0.429 119.9-106.1 -90.3 3.1 -4.6 -4.5 1.0 18 125 A G T < 5S- 0 0 41 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.693 91.1 -29.4 78.1 19.5 -6.7 -4.8 -2.2 19 126 A G S -A 5 0A 57 -2,-0.2 3,-0.6 -17,-0.2 150,-0.4 -0.624 4.5-131.3 -92.4 142.2 0.1 0.5 -4.2 23 130 A T T 3 S+ 0 0 0 -19,-2.5 148,-0.3 -2,-0.3 3,-0.1 -0.431 97.6 38.8 -70.1 163.5 2.3 2.8 -6.3 24 131 A Q T 3 S+ 0 0 59 146,-1.7 2,-0.3 141,-0.6 -1,-0.2 0.779 110.3 85.9 60.4 28.9 1.4 6.5 -6.0 25 132 A A E < S-b 171 0B 19 145,-0.7 147,-2.4 -3,-0.6 2,-0.5 -0.976 73.9-128.6-149.2 158.6 0.9 5.8 -2.2 26 133 A I E -b 172 0B 1 155,-0.4 157,-2.7 -2,-0.3 2,-0.5 -0.974 20.6-161.5-109.6 119.2 2.8 5.6 1.0 27 134 A T E -bc 173 183B 1 145,-2.7 147,-2.7 -2,-0.5 2,-0.6 -0.910 7.6-162.4 -98.4 126.7 2.2 2.4 3.0 28 135 A E E -bc 174 184B 17 155,-2.8 157,-2.6 -2,-0.5 2,-0.5 -0.943 3.2-166.1-117.7 114.4 3.2 2.9 6.6 29 136 A V E -bc 175 185B 1 145,-2.7 147,-2.1 -2,-0.6 2,-0.3 -0.900 2.4-164.1-111.6 123.0 3.7 -0.3 8.7 30 137 A F E +bc 176 186B 18 155,-2.9 157,-2.9 -2,-0.5 2,-0.2 -0.742 22.2 138.1-100.6 148.3 3.9 -0.2 12.5 31 138 A G - 0 0 8 145,-1.3 157,-0.1 -2,-0.3 3,-0.1 -0.844 44.8-111.6 177.5 150.6 5.2 -2.9 14.7 32 139 A E > - 0 0 144 155,-0.4 3,-2.1 -2,-0.2 5,-0.3 -0.250 68.2 -57.6 -76.9 172.9 7.3 -3.6 17.8 33 140 A F T 3 S+ 0 0 165 1,-0.3 -1,-0.2 2,-0.1 144,-0.0 -0.260 130.0 17.3 -54.9 133.6 10.6 -5.5 17.5 34 141 A G T 3 S+ 0 0 47 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.564 85.9 123.6 79.5 10.0 10.0 -8.8 15.8 35 142 A S S < S- 0 0 4 -3,-2.1 153,-0.2 152,-0.1 -2,-0.1 0.749 83.2-110.0 -71.8 -26.2 6.6 -7.9 14.4 36 143 A G S > S+ 0 0 5 -4,-0.2 4,-2.4 151,-0.1 5,-0.2 0.432 81.5 123.4 110.3 2.5 7.7 -8.6 10.9 37 144 A K H > S+ 0 0 27 -5,-0.3 4,-1.8 2,-0.2 -8,-0.1 0.876 79.0 42.6 -67.9 -39.0 7.8 -5.1 9.4 38 145 A T H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.863 113.0 54.2 -75.3 -32.1 11.4 -5.2 8.3 39 146 A Q H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 180,-0.3 0.905 108.0 50.1 -63.5 -40.8 10.9 -8.8 7.0 40 147 A L H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.916 109.2 52.6 -61.1 -43.5 8.0 -7.4 4.9 41 148 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.953 110.3 46.7 -54.7 -50.6 10.3 -4.7 3.7 42 149 A H H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.893 112.4 50.6 -61.0 -41.2 12.9 -7.3 2.6 43 150 A T H >X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 3,-1.1 0.931 108.8 50.4 -64.9 -45.7 10.2 -9.4 0.9 44 151 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.865 102.5 61.6 -59.1 -36.0 8.8 -6.4 -1.0 45 152 A A H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.723 113.7 36.7 -64.2 -23.6 12.3 -5.5 -2.2 46 153 A V H X< S+ 0 0 0 -3,-1.1 3,-1.7 -4,-0.7 4,-0.4 0.861 114.0 53.6 -88.3 -53.7 12.4 -8.9 -3.9 47 154 A M H >< S+ 0 0 6 -4,-3.0 3,-2.1 1,-0.3 11,-0.3 0.857 99.9 61.7 -52.3 -41.4 8.8 -9.2 -5.1 48 155 A V T 3< S+ 0 0 0 -4,-2.4 11,-2.2 1,-0.3 9,-2.0 0.753 96.0 61.8 -63.1 -20.9 8.8 -5.8 -6.9 49 156 A Q T < S+ 0 0 17 -3,-1.7 -1,-0.3 9,-0.2 -2,-0.2 0.600 89.6 89.8 -81.4 -10.4 11.6 -7.1 -9.2 50 157 A L S < S- 0 0 13 -3,-2.1 8,-3.0 -4,-0.4 9,-0.3 -0.340 89.2 -94.1 -77.9 163.2 9.3 -9.9 -10.6 51 158 A P > > - 0 0 33 0, 0.0 3,-2.1 0, 0.0 5,-2.1 -0.405 40.4-103.9 -69.3 157.2 7.0 -9.5 -13.6 52 159 A P G > 5S+ 0 0 75 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.835 121.9 62.1 -52.1 -37.8 3.3 -8.5 -12.9 53 160 A E G 3 5S+ 0 0 169 1,-0.3 4,-0.0 2,-0.1 -3,-0.0 0.744 108.8 42.9 -61.2 -23.7 2.2 -12.1 -13.5 54 161 A E G < 5S- 0 0 111 -3,-2.1 -1,-0.3 -7,-0.1 -4,-0.1 0.343 130.6 -93.0-105.3 5.0 4.4 -13.0 -10.5 55 162 A G T < 5S+ 0 0 19 -3,-1.5 -48,-3.0 -4,-0.4 2,-0.1 0.545 91.5 100.3 100.2 9.9 3.2 -10.1 -8.4 56 163 A G < - 0 0 1 -5,-2.1 -1,-0.3 -50,-0.2 -8,-0.2 -0.407 67.8-130.4-113.4-168.2 5.9 -7.6 -9.2 57 164 A L - 0 0 39 -9,-2.0 -8,-0.1 -2,-0.1 3,-0.1 0.037 48.4-108.0-134.2 24.5 6.4 -4.5 -11.4 58 165 A N S S+ 0 0 61 -8,-3.0 -9,-0.2 -11,-0.3 2,-0.2 0.908 76.0 146.4 45.2 50.0 9.7 -5.3 -13.1 59 166 A G - 0 0 0 -11,-2.2 66,-0.2 -9,-0.3 2,-0.2 -0.690 51.6-125.2-119.3 165.8 11.2 -2.6 -11.0 60 167 A S E -d 125 0B 5 64,-2.6 66,-2.6 -2,-0.2 67,-1.3 -0.556 28.9-132.7 -93.7 169.4 14.3 -1.4 -9.1 61 168 A V E -de 127 93B 1 31,-2.6 33,-2.9 -2,-0.2 2,-0.4 -0.930 10.8-159.6-127.2 147.3 14.4 -0.5 -5.4 62 169 A M E -de 128 94B 21 65,-2.2 67,-2.8 -2,-0.3 2,-0.5 -1.000 17.2-166.6-123.3 130.9 15.8 2.4 -3.4 63 170 A W E -de 129 95B 2 31,-2.9 33,-2.6 -2,-0.4 2,-0.6 -0.965 10.6-167.6-127.4 114.9 16.3 1.7 0.3 64 171 A I E -de 130 96B 6 65,-3.0 67,-2.6 -2,-0.5 2,-0.5 -0.917 12.4-164.8-103.1 122.6 17.0 4.2 3.0 65 172 A D E +de 131 97B 0 31,-2.6 33,-2.7 -2,-0.6 67,-0.3 -0.915 17.1 174.5-115.3 121.3 18.1 2.7 6.3 66 173 A T S S+ 0 0 0 65,-2.4 66,-0.2 -2,-0.5 -1,-0.1 0.707 81.7 26.8 -98.5 -23.8 18.1 4.7 9.5 67 174 A E S S- 0 0 115 64,-0.7 65,-0.1 68,-0.0 -1,-0.1 0.110 109.6 -98.4-130.5 23.3 19.1 2.0 12.1 68 175 A N S S+ 0 0 88 63,-0.2 29,-0.0 1,-0.1 -3,-0.0 0.951 76.8 134.4 61.6 52.5 21.1 -0.6 10.3 69 176 A T + 0 0 40 62,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.486 32.3 108.6-109.3 -3.7 18.3 -3.1 9.7 70 177 A F - 0 0 21 61,-0.1 -5,-0.0 1,-0.0 -32,-0.0 -0.583 48.7-167.7 -73.5 132.0 19.0 -3.9 6.0 71 178 A R >> - 0 0 131 -2,-0.3 4,-1.7 1,-0.1 3,-1.0 -0.895 13.9-169.7-126.6 99.8 20.4 -7.5 5.6 72 179 A P H 3> S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.867 90.5 57.9 -55.8 -37.0 21.8 -8.3 2.2 73 180 A E H 3> S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.826 103.9 52.5 -66.2 -27.3 22.1 -11.9 3.1 74 181 A R H <> S+ 0 0 33 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.865 106.8 52.2 -73.2 -38.9 18.3 -12.0 3.8 75 182 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.944 110.6 49.2 -56.3 -47.9 17.7 -10.5 0.4 76 183 A R H X S+ 0 0 81 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.925 111.4 48.7 -59.8 -46.6 19.8 -13.4 -1.1 77 184 A E H X S+ 0 0 83 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.940 114.3 44.4 -59.6 -48.8 17.9 -16.0 0.9 78 185 A I H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 6,-0.2 0.930 114.3 50.2 -61.7 -45.0 14.5 -14.7 -0.1 79 186 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-0.9 0.948 113.5 45.1 -57.7 -50.9 15.6 -14.3 -3.8 80 187 A Q H ><5S+ 0 0 130 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.894 109.2 53.3 -65.7 -43.0 17.0 -17.8 -4.0 81 188 A N H 3<5S+ 0 0 67 -4,-2.4 -1,-0.3 135,-0.3 -2,-0.2 0.624 107.2 54.6 -67.6 -13.8 14.0 -19.5 -2.2 82 189 A R T <<5S- 0 0 48 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.041 125.1-104.6-103.9 21.8 11.8 -17.8 -4.8 83 190 A G T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.631 80.5 128.1 68.5 17.2 13.8 -19.3 -7.6 84 191 A L < - 0 0 44 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.453 69.3 -95.5-100.0 173.1 15.5 -16.0 -8.4 85 192 A D > - 0 0 85 1,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.797 29.1-157.1 -90.9 109.8 19.2 -14.9 -8.8 86 193 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.820 90.6 50.4 -60.0 -33.4 20.4 -13.5 -5.5 87 194 A D H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.911 112.3 45.5 -73.3 -40.3 23.2 -11.5 -7.0 88 195 A E H > S+ 0 0 91 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.922 112.0 52.4 -67.0 -42.2 21.0 -9.8 -9.6 89 196 A V H >< S+ 0 0 7 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.937 111.4 46.4 -58.8 -48.7 18.3 -9.1 -7.0 90 197 A L H >< S+ 0 0 27 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.861 105.0 61.4 -61.4 -37.6 20.8 -7.4 -4.7 91 198 A K H 3< S+ 0 0 144 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 101.4 53.8 -60.6 -27.5 22.3 -5.4 -7.6 92 199 A H T << S+ 0 0 56 -4,-1.1 -31,-2.6 -3,-0.8 2,-0.6 0.201 88.4 87.4-100.7 17.9 18.9 -3.7 -8.2 93 200 A I E < -e 61 0B 14 -3,-1.7 2,-0.5 -33,-0.2 -31,-0.2 -0.949 68.1-154.5-110.4 105.7 18.5 -2.5 -4.6 94 201 A A E -e 62 0B 31 -33,-2.9 -31,-2.9 -2,-0.6 2,-0.4 -0.717 16.9-153.3 -79.7 128.0 20.2 0.9 -4.3 95 202 A Y E +e 63 0B 102 -2,-0.5 2,-0.4 -33,-0.2 -31,-0.2 -0.864 19.9 173.8-112.2 135.6 21.2 1.3 -0.6 96 203 A A E -e 64 0B 29 -33,-2.6 -31,-2.6 -2,-0.4 2,-0.4 -0.978 20.7-145.4-139.7 128.3 21.7 4.5 1.5 97 204 A R E -e 65 0B 63 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.746 13.3-149.3 -82.3 132.4 22.3 4.9 5.2 98 205 A A - 0 0 0 -33,-2.7 3,-0.1 -2,-0.4 6,-0.0 -0.941 9.1-169.3-102.0 122.2 20.7 7.9 6.7 99 206 A F - 0 0 127 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.707 66.7 -8.4 -86.3 -21.0 22.9 9.1 9.6 100 207 A N S > S- 0 0 63 1,-0.0 4,-2.7 40,-0.0 5,-0.1 -0.935 82.2 -85.3-162.2 177.0 20.4 11.7 11.1 101 208 A S H > S+ 0 0 2 -2,-0.3 4,-2.1 35,-0.2 5,-0.2 0.861 123.8 49.9 -66.6 -38.2 17.1 13.3 10.3 102 209 A N H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 113.1 47.0 -61.7 -47.8 18.5 16.1 8.2 103 210 A H H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.914 109.6 54.5 -59.5 -44.5 20.5 13.6 6.1 104 211 A Q H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.907 110.2 45.8 -56.9 -44.1 17.4 11.4 5.8 105 212 A M H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.912 111.7 52.2 -66.4 -40.3 15.4 14.3 4.4 106 213 A L H X S+ 0 0 79 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.914 105.8 54.7 -60.5 -43.9 18.3 15.2 2.1 107 214 A L H X S+ 0 0 18 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.861 108.7 48.1 -60.4 -37.3 18.5 11.6 0.8 108 215 A V H X S+ 0 0 1 -4,-1.5 4,-0.5 2,-0.2 3,-0.4 0.934 111.3 49.7 -70.1 -43.8 14.8 11.7 -0.2 109 216 A Q H >< S+ 0 0 85 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.902 116.8 41.6 -57.4 -42.3 15.1 15.1 -1.9 110 217 A Q H >X S+ 0 0 102 -4,-2.6 3,-1.4 1,-0.2 4,-0.6 0.595 93.5 81.9 -86.6 -9.2 18.1 13.8 -3.9 111 218 A A H 3X S+ 0 0 5 -4,-1.0 4,-1.9 -3,-0.4 3,-0.4 0.774 77.1 75.4 -63.1 -24.9 16.6 10.4 -4.6 112 219 A E H S+ 0 0 104 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.933 107.5 40.7 -61.1 -48.3 18.0 12.2 -9.5 114 221 A M H X S+ 0 0 72 -4,-0.6 4,-2.1 -3,-0.4 -1,-0.2 0.856 112.8 55.0 -69.3 -37.0 18.3 8.4 -9.6 115 222 A I H X S+ 0 0 1 -4,-1.9 4,-1.1 1,-0.2 10,-0.3 0.911 108.5 49.4 -62.7 -43.1 14.6 7.9 -10.2 116 223 A K H >< S+ 0 0 114 -4,-2.5 3,-0.5 1,-0.2 4,-0.5 0.917 109.6 51.8 -59.9 -45.5 14.8 10.2 -13.2 117 224 A E H 3< S+ 0 0 156 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.882 117.4 37.4 -60.3 -40.2 17.8 8.3 -14.6 118 225 A L H >< S+ 0 0 40 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.566 89.8 100.7 -88.6 -9.3 16.0 5.0 -14.3 119 226 A L T << S+ 0 0 60 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.1 0.825 90.9 28.8 -51.8 -46.5 12.5 6.2 -15.3 120 227 A N T 3 S+ 0 0 154 -4,-0.5 -1,-0.3 -3,-0.3 2,-0.1 -0.059 104.1 97.4-112.1 37.5 12.4 5.2 -18.9 121 228 A T S < S- 0 0 60 -3,-1.9 -3,-0.1 1,-0.0 -4,-0.0 -0.359 92.2 -91.3-105.4-172.0 14.7 2.1 -18.6 122 229 A D S S+ 0 0 131 1,-0.2 -3,-0.1 -2,-0.1 -4,-0.1 0.638 121.8 38.3 -76.6 -13.7 14.0 -1.6 -18.3 123 230 A R S S+ 0 0 54 -5,-0.2 -1,-0.2 -64,-0.1 -64,-0.2 -0.506 76.1 179.2-138.9 64.2 14.1 -1.3 -14.5 124 231 A P - 0 0 22 0, 0.0 -64,-2.6 0, 0.0 2,-0.3 -0.271 46.2 -89.8 -60.8 154.0 12.5 2.0 -13.3 125 232 A V E +d 60 0B 3 -10,-0.3 -64,-0.2 -66,-0.2 3,-0.1 -0.535 55.0 162.7 -63.9 127.7 12.4 2.6 -9.5 126 233 A K E + 0 0 29 -66,-2.6 45,-2.5 -2,-0.3 2,-0.4 0.497 59.7 44.6-125.9 -10.2 9.1 1.1 -8.3 127 234 A L E -df 61 171B 0 -67,-1.3 -65,-2.2 43,-0.2 2,-0.5 -0.987 54.8-176.1-140.3 126.0 9.7 0.8 -4.6 128 235 A L E -df 62 172B 0 43,-2.3 45,-2.6 -2,-0.4 2,-0.4 -0.990 14.9-164.7-120.5 118.6 11.2 3.3 -2.2 129 236 A I E -df 63 173B 0 -67,-2.8 -65,-3.0 -2,-0.5 2,-0.5 -0.871 14.3-172.2-105.7 135.8 11.7 2.1 1.3 130 237 A V E -df 64 174B 0 43,-2.2 45,-1.9 -2,-0.4 2,-0.5 -0.944 17.2-155.0-122.9 108.6 12.4 4.2 4.4 131 238 A D E S+d 65 0B 6 -67,-2.6 -65,-2.4 -2,-0.5 -64,-0.7 -0.914 80.8 11.8-125.9 97.2 13.1 2.0 7.4 132 239 A S - 0 0 11 -2,-0.5 -1,-0.4 43,-0.4 4,-0.3 0.538 64.7-169.6-123.1 166.2 12.4 3.6 9.5 133 240 A L S S+ 0 0 2 42,-2.9 4,-0.2 -3,-0.4 43,-0.1 0.856 89.3 21.8 -69.3 -35.1 10.5 6.8 9.1 134 241 A T S > S+ 0 0 14 41,-0.4 4,-2.9 2,-0.1 5,-0.3 0.462 84.1 101.5-119.0 -3.4 10.8 8.3 12.6 135 242 A S H > S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.916 93.5 40.3 -55.9 -46.3 13.8 6.8 14.5 136 243 A H H > S+ 0 0 19 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.883 114.7 52.0 -68.9 -39.2 16.0 9.9 14.0 137 244 A F H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.922 112.1 46.8 -63.7 -41.9 13.2 12.4 14.5 138 245 A R H < S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.7 47.8 -67.2 -34.2 12.3 10.7 17.8 139 246 A S H < S+ 0 0 85 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.852 118.7 37.6 -73.3 -36.3 16.0 10.6 18.8 140 247 A E H < S+ 0 0 78 -4,-2.3 2,-0.9 1,-0.2 -2,-0.2 0.782 107.8 58.7 -94.0 -31.0 16.8 14.2 18.0 141 248 A Y S < S- 0 0 35 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 -0.747 73.0-178.2-108.2 86.3 13.7 16.2 18.9 142 249 A I - 0 0 123 -2,-0.9 4,-0.2 -3,-0.2 3,-0.2 -0.685 38.8 -11.1 -95.6 131.6 13.1 15.6 22.6 143 250 A G S >> S- 0 0 50 -2,-0.4 3,-1.6 1,-0.2 4,-0.6 0.045 96.5 -53.4 79.5 175.8 10.3 17.0 24.7 144 251 A R H >> S+ 0 0 235 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.769 127.0 63.3 -66.7 -27.7 7.6 19.6 24.2 145 252 A G H 34 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.2 4,-0.3 0.731 110.5 41.8 -64.8 -19.0 10.0 22.4 23.2 146 253 A A H <> S+ 0 0 18 -3,-1.6 4,-2.3 -4,-0.2 -1,-0.2 0.558 89.2 89.0-105.5 -11.6 11.0 20.2 20.2 147 254 A L H S+ 0 0 101 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.889 113.0 56.4 -62.1 -39.3 9.8 21.5 14.7 150 257 A R H X S+ 0 0 57 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.937 110.9 42.1 -57.8 -49.0 9.7 17.7 14.8 151 258 A Q H X S+ 0 0 103 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.866 113.3 54.3 -68.0 -36.0 6.2 17.6 13.2 152 259 A Q H X S+ 0 0 144 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.945 112.1 42.1 -59.9 -52.4 7.1 20.3 10.7 153 260 A K H X S+ 0 0 66 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.915 115.9 49.2 -63.3 -45.9 10.1 18.5 9.4 154 261 A L H X S+ 0 0 16 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.926 109.9 51.6 -60.7 -45.9 8.3 15.1 9.4 155 262 A A H X S+ 0 0 59 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.920 111.7 47.1 -55.8 -45.6 5.3 16.6 7.6 156 263 A K H X S+ 0 0 89 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.8 52.9 -62.2 -42.0 7.7 18.1 5.0 157 264 A H H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.929 109.8 47.3 -59.9 -48.5 9.5 14.7 4.7 158 265 A L H X S+ 0 0 32 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.876 110.0 53.6 -61.8 -38.7 6.2 12.9 4.1 159 266 A A H X S+ 0 0 55 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.912 107.4 50.6 -62.6 -41.1 5.2 15.5 1.5 160 267 A D H X S+ 0 0 28 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.906 112.4 48.1 -61.2 -41.4 8.5 14.9 -0.4 161 268 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.909 109.4 51.2 -67.1 -43.1 7.8 11.2 -0.3 162 269 A H H X S+ 0 0 38 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.876 108.5 53.4 -60.1 -38.8 4.2 11.6 -1.6 163 270 A R H X S+ 0 0 119 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.921 109.4 46.4 -65.9 -43.3 5.4 13.7 -4.5 164 271 A L H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 6,-0.3 0.923 113.1 50.9 -63.4 -43.5 8.0 11.1 -5.6 165 272 A A H X>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 4,-0.6 0.921 118.1 37.4 -56.4 -47.6 5.3 8.4 -5.3 166 273 A N H <5S+ 0 0 86 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.909 118.6 46.0 -75.6 -45.4 2.8 10.3 -7.4 167 274 A L H <5S+ 0 0 95 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.854 125.5 28.4 -68.0 -37.2 5.0 11.9 -10.0 168 275 A Y H <5S- 0 0 25 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.269 105.5-114.1-116.1 10.9 7.1 8.8 -10.8 169 276 A D T <5 + 0 0 29 -4,-0.6 2,-0.4 -3,-0.3 -3,-0.2 0.954 61.6 153.2 58.2 57.0 4.6 6.0 -10.1 170 277 A I < - 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