==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUL-12 4B2P . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.E.MARSH,M.T.EHEBAUER,D.SCOTT,C.ABELL,T.L.BLUNDELL,M.HYVONE . 216 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 7.9 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 . 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 . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 2 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 1 2 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 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 1 109 A T 0 0 164 0, 0.0 2,-0.4 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 144.1 6.7 -19.2 36.5 2 110 A I - 0 0 66 21,-0.0 2,-0.2 19,-0.0 21,-0.1 -0.686 360.0-148.2 -81.2 127.0 6.3 -15.6 35.4 3 111 A G - 0 0 15 -2,-0.4 19,-2.4 122,-0.1 2,-0.4 -0.631 7.9-147.7 -85.8 159.2 6.3 -13.2 38.3 4 112 A R E -A 21 0A 82 17,-0.2 2,-0.6 -2,-0.2 17,-0.2 -0.995 3.3-154.4-132.9 136.7 4.2 -10.0 38.1 5 113 A I E -A 20 0A 0 15,-2.2 15,-2.4 -2,-0.4 50,-0.2 -0.938 22.8-126.4-110.7 117.3 5.0 -6.6 39.7 6 114 A S - 0 0 16 48,-3.2 13,-0.1 -2,-0.6 40,-0.1 -0.357 7.5-149.8 -57.8 140.7 2.0 -4.3 40.5 7 115 A T - 0 0 0 2,-0.4 209,-0.3 39,-0.1 -1,-0.1 0.555 43.7-108.7 -82.9 -8.6 2.4 -0.8 39.0 8 116 A G S S+ 0 0 16 1,-0.2 2,-0.6 207,-0.1 210,-0.6 0.018 96.8 94.6 94.3 -24.4 0.3 0.7 41.8 9 117 A S > - 0 0 0 208,-0.3 4,-2.8 1,-0.1 -2,-0.4 -0.879 61.3-158.2 -99.3 123.9 -2.6 1.3 39.4 10 118 A K H > S+ 0 0 170 -2,-0.6 4,-2.1 2,-0.2 -1,-0.1 0.874 96.5 53.8 -65.1 -33.1 -5.3 -1.4 39.3 11 119 A S H > S+ 0 0 38 197,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.967 111.7 42.2 -64.6 -51.4 -6.3 -0.1 35.8 12 120 A L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 6,-0.2 0.887 112.5 55.0 -65.9 -38.5 -2.7 -0.4 34.4 13 121 A D H X>S+ 0 0 22 -4,-2.8 5,-3.3 1,-0.2 4,-0.7 0.936 107.0 51.1 -60.2 -38.3 -2.2 -3.7 36.1 14 122 A K H ><5S+ 0 0 175 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.953 108.8 50.1 -65.0 -44.7 -5.4 -5.0 34.4 15 123 A L H 3<5S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.870 111.9 49.1 -59.1 -37.6 -4.2 -3.9 31.0 16 124 A L H 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.538 121.3-106.2 -81.3 -4.0 -0.8 -5.6 31.6 17 125 A G T <<5S- 0 0 52 -3,-1.5 -3,-0.2 -4,-0.7 -2,-0.1 0.660 90.1 -28.9 84.0 19.8 -2.5 -8.9 32.7 18 126 A G S -A 4 0A 52 -17,-0.2 3,-0.5 -2,-0.2 150,-0.4 -0.657 4.8-133.6 -92.4 145.0 6.3 -9.5 34.0 22 130 A T T 3 S+ 0 0 0 -19,-2.4 148,-0.3 -2,-0.3 143,-0.1 -0.343 94.0 40.1 -76.8 164.2 9.5 -11.2 34.8 23 131 A Q T 3 S+ 0 0 68 146,-1.5 2,-0.3 141,-0.6 -1,-0.2 0.801 109.1 84.9 65.4 31.1 11.3 -13.0 31.9 24 132 A A E < S-b 170 0B 2 145,-0.8 147,-2.5 -3,-0.5 2,-0.6 -0.988 74.6-128.7-154.9 151.8 10.2 -10.1 29.7 25 133 A I E -b 171 0B 0 -2,-0.3 161,-1.8 145,-0.2 160,-1.4 -0.961 24.6-163.8-102.3 121.7 11.3 -6.6 28.6 26 134 A T E -bc 172 186B 1 145,-3.0 147,-2.8 -2,-0.6 2,-0.5 -0.937 4.2-162.3-108.4 121.2 8.5 -4.1 29.0 27 135 A E E -bc 173 187B 11 159,-2.9 161,-3.1 -2,-0.6 2,-0.5 -0.926 4.3-165.6-103.4 125.3 9.1 -0.8 27.1 28 136 A V E +bc 174 188B 1 145,-2.5 147,-2.0 -2,-0.5 2,-0.4 -0.949 15.7 177.5-103.7 136.5 7.1 2.3 28.0 29 137 A F E +bc 175 189B 23 159,-2.5 161,-3.1 -2,-0.5 2,-0.3 -0.961 16.0 115.7-139.0 150.0 7.3 5.0 25.4 30 138 A G E -b 176 0B 0 145,-1.4 147,-1.5 -2,-0.4 161,-0.2 -0.925 57.8 -60.8 168.7 176.2 5.6 8.4 25.1 31 139 A E S > S- 0 0 100 159,-0.5 3,-1.9 -2,-0.3 5,-0.3 -0.136 73.0 -62.6 -74.9 169.9 6.3 12.2 25.0 32 140 A F T 3 S+ 0 0 144 145,-0.3 -1,-0.2 1,-0.2 144,-0.0 -0.195 125.3 18.6 -47.3 138.4 7.9 14.3 27.7 33 141 A G T 3 S+ 0 0 44 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.503 84.9 124.4 76.9 4.4 5.8 14.3 30.9 34 142 A S S < S- 0 0 0 -3,-1.9 157,-0.2 156,-0.1 -2,-0.1 0.665 85.3-100.0 -77.2 -16.9 3.9 11.1 29.9 35 143 A G S > S+ 0 0 7 -4,-0.2 4,-2.8 155,-0.1 5,-0.2 0.512 80.7 128.6 120.6 5.9 4.8 9.2 33.1 36 144 A K H > S+ 0 0 19 -5,-0.3 4,-2.1 1,-0.2 5,-0.1 0.930 80.9 39.6 -64.9 -52.2 7.7 6.9 32.1 37 145 A T H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.867 115.1 52.7 -66.5 -34.9 10.1 8.0 34.9 38 146 A Q H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 108.6 50.5 -67.2 -37.2 7.3 8.2 37.5 39 147 A L H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.911 110.1 51.5 -63.9 -44.0 6.2 4.6 36.6 40 148 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.946 110.0 47.5 -57.3 -44.4 9.9 3.5 37.0 41 149 A H H X S+ 0 0 1 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.901 112.9 49.7 -66.1 -35.0 10.2 5.1 40.5 42 150 A T H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-1.1 0.961 110.5 48.3 -70.5 -43.2 6.9 3.5 41.5 43 151 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.836 103.1 63.7 -63.9 -34.4 7.9 -0.1 40.3 44 152 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.767 113.3 34.5 -64.4 -23.7 11.2 0.3 42.1 45 153 A V H X< S+ 0 0 0 -3,-1.1 3,-1.5 -4,-0.8 4,-0.4 0.860 115.4 55.1 -87.5 -49.2 9.2 0.5 45.4 46 154 A M H >< S+ 0 0 6 -4,-2.8 3,-1.8 1,-0.3 11,-0.2 0.867 99.5 60.5 -56.3 -37.9 6.4 -2.0 44.4 47 155 A V T 3< S+ 0 0 0 -4,-2.6 11,-2.4 1,-0.3 9,-2.2 0.757 97.8 61.3 -66.4 -18.5 8.8 -4.8 43.6 48 156 A Q T < S+ 0 0 8 -3,-1.5 -1,-0.3 9,-0.3 -2,-0.2 0.626 85.4 94.9 -81.8 -15.3 10.1 -4.7 47.2 49 157 A L S < S- 0 0 19 -3,-1.8 8,-2.5 -4,-0.4 9,-0.3 -0.274 88.5 -96.8 -67.6 156.2 6.6 -5.6 48.6 50 158 A P > > - 0 0 38 0, 0.0 5,-2.0 0, 0.0 3,-1.9 -0.307 42.1 -99.4 -69.6 164.8 5.7 -9.2 49.4 51 159 A P G > 5S+ 0 0 82 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.848 120.4 58.7 -63.6 -26.8 3.8 -11.2 46.7 52 160 A E G 3 5S+ 0 0 144 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.597 107.9 49.0 -79.0 -7.0 0.4 -10.8 48.4 53 161 A E G < 5S- 0 0 121 -3,-1.9 -1,-0.3 2,-0.1 -4,-0.1 0.308 129.9 -92.1-107.4 7.0 0.9 -7.1 48.1 54 162 A G T < 5S+ 0 0 20 -3,-1.6 -48,-3.2 1,-0.3 2,-0.1 0.520 91.9 101.1 104.6 0.1 1.9 -7.0 44.5 55 163 A G < - 0 0 2 -5,-2.0 -1,-0.3 -50,-0.2 -8,-0.2 -0.392 66.9-132.8-107.5-171.2 5.7 -7.3 44.8 56 164 A L - 0 0 38 -9,-2.2 -8,-0.2 -10,-0.2 3,-0.1 0.106 47.0-110.1-129.4 20.5 8.4 -10.0 44.5 57 165 A N S S+ 0 0 61 -8,-2.5 2,-0.3 -10,-0.3 -9,-0.3 0.932 75.2 153.2 47.2 41.2 10.4 -9.3 47.6 58 166 A G - 0 0 0 -11,-2.4 66,-0.2 -9,-0.3 -1,-0.2 -0.713 49.9-129.6-108.0 162.7 13.0 -8.1 45.2 59 167 A S E -d 124 0B 1 64,-2.6 66,-2.7 -2,-0.3 67,-1.3 -0.520 27.6-133.2 -92.5 172.1 15.9 -5.7 44.8 60 168 A V E -de 126 92B 0 31,-2.8 33,-2.9 64,-0.2 2,-0.4 -0.971 11.4-160.8-132.0 135.7 16.3 -3.3 41.8 61 169 A I E -de 127 93B 12 65,-2.3 67,-2.8 -2,-0.4 2,-0.5 -0.979 17.8-169.1-111.6 131.9 19.1 -2.3 39.4 62 170 A W E -de 128 94B 0 31,-2.8 33,-2.9 -2,-0.4 2,-0.7 -0.978 13.0-164.1-128.0 114.7 18.5 1.1 37.8 63 171 A I E -de 129 95B 2 65,-3.4 67,-2.4 -2,-0.5 2,-0.5 -0.907 17.5-165.1 -96.2 108.1 20.7 2.3 34.9 64 172 A D E +de 130 96B 8 31,-2.7 33,-2.3 -2,-0.7 67,-0.3 -0.899 18.5 172.7-101.5 125.9 19.9 6.0 34.7 65 173 A T S S+ 0 0 11 65,-2.4 66,-0.3 -2,-0.5 -1,-0.1 0.529 76.8 38.5-109.9 -11.4 21.0 7.9 31.6 66 174 A E S S- 0 0 86 64,-0.6 65,-0.1 68,-0.0 -1,-0.1 0.123 105.9-108.6-127.8 20.8 19.5 11.4 32.0 67 175 A N S S+ 0 0 117 1,-0.1 29,-0.0 -3,-0.0 -3,-0.0 0.872 79.3 127.9 54.0 41.3 20.1 12.0 35.8 68 176 A T + 0 0 42 62,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.473 26.8 114.4-110.0 3.2 16.4 11.7 36.6 69 177 A F - 0 0 28 61,-0.1 -5,-0.0 1,-0.0 -32,-0.0 -0.561 49.4-164.3 -65.5 133.8 16.5 9.1 39.4 70 178 A R >> - 0 0 133 -2,-0.3 4,-1.9 1,-0.1 3,-0.8 -0.920 15.5-165.8-125.6 105.0 15.3 10.9 42.6 71 179 A P H 3> S+ 0 0 55 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.881 91.6 55.3 -60.0 -32.4 16.1 9.2 45.9 72 180 A E H 3> S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.833 103.2 54.1 -71.2 -23.1 13.6 11.5 47.7 73 181 A R H <> S+ 0 0 35 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.903 108.4 50.2 -76.1 -37.1 10.8 10.5 45.4 74 182 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.943 110.1 49.9 -57.1 -48.3 11.5 6.9 46.2 75 183 A R H X S+ 0 0 70 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.899 111.5 49.3 -60.4 -41.5 11.5 7.7 49.9 76 184 A E H X S+ 0 0 80 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.950 112.0 46.3 -61.9 -48.4 8.1 9.5 49.5 77 185 A I H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.915 116.1 46.5 -61.9 -41.3 6.5 6.7 47.6 78 186 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.8 -5,-0.2 3,-0.9 0.959 111.9 49.9 -63.2 -52.7 7.8 4.2 50.1 79 187 A Q H ><5S+ 0 0 49 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.900 112.1 49.4 -50.2 -47.8 6.7 6.3 53.2 80 188 A N H 3<5S+ 0 0 74 -4,-2.6 -1,-0.2 133,-0.3 -2,-0.2 0.653 108.4 50.8 -77.2 -12.3 3.3 6.7 51.7 81 189 A R T <<5S- 0 0 65 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.236 123.8-102.6-100.8 8.7 2.8 3.0 51.0 82 190 A G T < 5S+ 0 0 71 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.621 80.2 127.3 84.4 18.5 3.9 2.1 54.6 83 191 A L S - 0 0 90 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.665 31.6-148.4 -74.7 121.9 10.7 2.2 55.5 85 193 A P H > S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.858 94.4 47.9 -64.0 -36.7 12.1 4.8 53.0 86 194 A D H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.889 110.5 49.3 -74.5 -33.2 15.7 4.0 53.9 87 195 A E H > S+ 0 0 87 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.908 111.7 51.2 -66.0 -41.6 15.4 0.2 53.6 88 196 A V H >< S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.954 110.2 48.8 -63.2 -44.1 13.7 0.6 50.2 89 197 A L H >< S+ 0 0 45 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.857 103.3 61.6 -62.4 -33.0 16.5 2.9 49.0 90 198 A K H 3< S+ 0 0 121 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.695 101.0 54.3 -65.4 -19.5 19.1 0.4 50.2 91 199 A H T << S+ 0 0 30 -3,-1.2 -31,-2.8 -4,-0.8 2,-0.5 0.304 91.0 85.3-101.4 13.1 17.7 -2.2 47.8 92 200 A I E < -e 60 0B 15 -3,-1.7 2,-0.8 -33,-0.2 -31,-0.2 -0.958 61.9-161.2-114.3 123.3 18.0 -0.0 44.7 93 201 A Y E -e 61 0B 72 -33,-2.9 -31,-2.8 -2,-0.5 2,-0.4 -0.898 14.1-168.1-109.9 105.9 21.4 -0.1 43.0 94 202 A V E +e 62 0B 60 -2,-0.8 2,-0.4 -33,-0.2 -31,-0.2 -0.771 10.9 178.4 -99.0 134.7 21.7 3.0 40.8 95 203 A A E -e 63 0B 31 -33,-2.9 -31,-2.7 -2,-0.4 2,-0.5 -0.998 23.2-135.5-133.3 137.1 24.3 3.6 38.1 96 204 A R E -e 64 0B 38 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.765 15.2-145.2 -88.2 125.2 24.6 6.5 35.8 97 205 A A - 0 0 6 -33,-2.3 3,-0.1 -2,-0.5 6,-0.0 -0.832 9.6-166.9 -90.4 124.7 25.4 5.6 32.2 98 206 A F - 0 0 165 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.715 69.1 -8.8 -85.6 -24.6 27.7 8.3 30.7 99 207 A N S > S- 0 0 63 1,-0.0 4,-2.4 40,-0.0 5,-0.1 -0.920 82.5 -87.2-159.6 176.0 27.3 7.2 27.1 100 208 A S H > S+ 0 0 0 35,-0.3 4,-1.8 -2,-0.3 5,-0.1 0.822 124.6 50.7 -67.5 -31.3 25.8 4.3 25.1 101 209 A N H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 111.6 47.4 -69.3 -41.3 29.0 2.2 25.3 102 210 A H H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.903 108.7 56.8 -65.1 -38.4 29.2 2.7 29.1 103 211 A Q H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.924 106.7 49.5 -58.0 -39.9 25.4 1.8 29.2 104 212 A M H >X S+ 0 0 43 -4,-1.8 4,-1.1 1,-0.2 3,-0.6 0.930 110.5 49.4 -67.8 -42.4 26.2 -1.5 27.5 105 213 A L H 3X S+ 0 0 99 -4,-2.1 4,-2.1 1,-0.2 3,-0.4 0.867 103.1 60.8 -59.6 -42.0 29.0 -2.2 30.0 106 214 A L H 3X S+ 0 0 16 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.813 97.9 59.0 -60.7 -31.0 26.7 -1.4 32.9 107 215 A V H < S+ 0 0 113 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.918 111.0 52.9 -57.6 -42.3 24.5 -13.3 40.7 116 224 A E H >< S+ 0 0 123 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.927 114.2 39.5 -58.3 -49.4 25.5 -12.0 44.0 117 225 A L H >< S+ 0 0 15 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.553 86.0 95.0 -81.9 -6.7 22.0 -11.5 45.3 118 226 A L T << S+ 0 0 93 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.825 89.5 46.2 -55.5 -26.0 20.5 -14.6 43.8 119 227 A N T < S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.4 2,-0.2 0.085 99.2 91.2-103.4 24.5 21.2 -16.4 47.3 120 228 A T S < S- 0 0 62 -3,-1.9 -3,-0.0 1,-0.0 0, 0.0 -0.567 89.9-113.2-111.7 169.9 19.7 -13.7 49.3 121 229 A D S S+ 0 0 136 1,-0.3 -3,-0.1 -2,-0.2 -1,-0.0 0.445 114.7 49.0 -84.7 1.5 16.2 -13.1 50.5 122 230 A R S S+ 0 0 61 -5,-0.3 -1,-0.3 -64,-0.1 -64,-0.2 -0.524 77.4 177.7-135.4 70.1 16.0 -10.1 48.1 123 231 A P - 0 0 27 0, 0.0 -64,-2.6 0, 0.0 2,-0.3 -0.279 47.0 -85.5 -64.4 152.9 17.3 -11.2 44.7 124 232 A V E +d 59 0B 2 -10,-0.3 -64,-0.2 -66,-0.2 3,-0.1 -0.529 54.9 164.7 -54.8 124.2 17.2 -8.7 41.9 125 233 A K E + 0 0 28 -66,-2.7 45,-2.8 -2,-0.3 2,-0.4 0.441 59.3 44.9-120.9 -3.8 13.7 -8.8 40.4 126 234 A L E -df 60 170B 0 -67,-1.3 -65,-2.3 43,-0.2 2,-0.5 -0.989 53.1-173.1-145.3 132.6 13.7 -5.6 38.4 127 235 A L E -df 61 171B 0 43,-2.5 45,-2.9 -2,-0.4 2,-0.4 -0.994 15.3-165.5-124.6 116.2 16.2 -3.9 36.1 128 236 A I E -df 62 172B 0 -67,-2.8 -65,-3.4 -2,-0.5 2,-0.5 -0.862 11.4-171.5-101.4 135.7 15.2 -0.4 34.9 129 237 A V E > -df 63 173B 0 43,-2.5 45,-1.9 -2,-0.4 3,-0.6 -0.946 14.6-159.2-123.1 112.7 16.9 1.4 32.0 130 238 A D E 3 S+d 64 0B 2 -67,-2.4 -65,-2.4 -2,-0.5 -64,-0.6 -0.937 82.0 12.8-132.4 101.9 15.7 5.0 31.9 131 239 A S T 3 S- 0 0 3 -2,-0.4 4,-0.4 43,-0.4 -1,-0.4 0.500 70.9-179.5-105.9 140.3 16.2 6.0 29.1 132 240 A L S < S+ 0 0 7 42,-2.1 4,-0.2 -3,-0.6 43,-0.2 0.858 86.6 27.2 -60.4 -40.0 17.0 3.0 27.0 133 241 A T S > S+ 0 0 22 41,-0.7 4,-2.8 1,-0.1 5,-0.2 0.618 88.6 95.4-110.0 -11.3 17.5 5.1 23.8 134 242 A S H > S+ 0 0 23 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.863 93.3 41.6 -53.8 -48.8 18.6 8.6 24.7 135 243 A H H > S+ 0 0 29 -4,-0.4 4,-2.2 2,-0.2 -35,-0.3 0.860 113.8 52.2 -66.5 -34.1 22.3 8.0 24.3 136 244 A F H > S+ 0 0 0 -4,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.897 109.2 50.7 -67.9 -38.5 21.9 5.9 21.2 137 245 A R H < S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.9 44.8 -67.3 -35.7 19.9 8.8 19.6 138 246 A S H < S+ 0 0 89 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.862 119.5 39.9 -72.1 -33.8 22.6 11.4 20.5 139 247 A E H < S+ 0 0 69 -4,-2.2 2,-0.8 1,-0.2 -2,-0.2 0.727 109.4 53.4 -94.4 -27.2 25.6 9.3 19.4 140 248 A Y S < S+ 0 0 37 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 -0.868 73.9 139.3-119.2 101.3 24.5 7.6 16.2 141 249 A I + 0 0 138 -2,-0.8 2,-0.1 -3,-0.1 -3,-0.0 -0.996 35.2 31.9-147.5 136.3 23.2 10.3 13.9 142 250 A G S > S- 0 0 51 -2,-0.4 3,-2.6 2,-0.1 4,-0.4 -0.456 98.8 -10.1 111.4-178.4 23.5 10.9 10.1 143 251 A R T 3 S+ 0 0 251 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.275 134.0 15.4 -58.8 127.0 23.8 8.8 7.0 144 252 A G T 3> S+ 0 0 57 -4,-0.1 4,-1.4 1,-0.0 -1,-0.3 0.261 98.2 105.7 96.2 -14.2 24.5 5.2 7.9 145 253 A A H <> + 0 0 6 -3,-2.6 4,-3.3 1,-0.2 5,-0.4 0.794 64.7 65.3 -73.6 -29.3 23.4 5.7 11.5 146 254 A L H > S+ 0 0 119 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.970 108.1 40.1 -56.9 -51.5 20.0 4.0 11.3 147 255 A A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 118.4 46.8 -64.5 -44.8 21.6 0.6 10.7 148 256 A E H X S+ 0 0 114 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.902 114.3 47.0 -64.5 -43.3 24.5 1.1 13.1 149 257 A R H X S+ 0 0 64 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.922 112.9 49.3 -65.8 -47.0 22.2 2.4 15.9 150 258 A Q H X S+ 0 0 56 -4,-2.7 4,-1.9 -5,-0.4 -1,-0.2 0.863 111.0 49.2 -62.9 -35.2 19.7 -0.4 15.4 151 259 A Q H X S+ 0 0 64 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.891 113.0 47.3 -68.9 -44.5 22.4 -3.1 15.5 152 260 A K H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 114.3 46.5 -64.1 -46.1 23.9 -1.7 18.7 153 261 A L H X S+ 0 0 14 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.889 108.8 55.8 -65.0 -33.0 20.5 -1.4 20.4 154 262 A A H X S+ 0 0 53 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.889 109.4 46.5 -64.7 -39.1 19.6 -5.0 19.2 155 263 A K H X S+ 0 0 44 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.924 113.8 48.5 -66.2 -45.4 22.8 -6.3 21.0 156 264 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 113.1 47.1 -60.2 -46.9 22.0 -4.3 24.1 157 265 A L H X S+ 0 0 14 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.883 109.9 53.9 -66.5 -36.6 18.4 -5.5 24.1 158 266 A A H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.907 108.0 50.1 -61.5 -39.7 19.6 -9.1 23.6 159 267 A D H X S+ 0 0 50 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.914 113.2 46.3 -62.9 -43.1 21.8 -8.7 26.6 160 268 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.906 110.3 51.3 -67.3 -38.4 18.9 -7.5 28.6 161 269 A H H X S+ 0 0 44 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.893 107.7 54.9 -64.8 -42.0 16.5 -10.2 27.4 162 270 A R H X S+ 0 0 116 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.922 109.9 45.7 -56.7 -47.4 19.2 -12.8 28.4 163 271 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 6,-0.3 0.928 111.7 52.3 -63.6 -40.2 19.3 -11.4 32.0 164 272 A A H X>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 4,-0.7 0.928 119.6 34.9 -60.6 -41.4 15.4 -11.3 32.2 165 273 A N H <5S+ 0 0 90 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.873 118.8 47.7 -84.6 -37.5 15.1 -15.0 31.1 166 274 A L H <5S+ 0 0 96 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.884 126.6 27.1 -75.3 -33.7 18.2 -16.5 32.8 167 275 A Y H <5S- 0 0 27 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.362 105.2-115.3-114.6 7.3 17.6 -14.8 36.2 168 276 A D T <5 + 0 0 48 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.968 62.5 151.6 56.9 60.5 13.7 -14.4 36.2 169 277 A I < - 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