==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JAN-02 1GTV . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.URSBY,M.WEIK,E.FIORAVANTI,M.DELARUE,M.GOELDNER, . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 811195.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 214 51.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 15.9 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 . 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 1 1 0 2 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 3 PARALLEL BRIDGES PER LADDER . 33 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 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 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 1 A M 0 0 51 0, 0.0 210,-3.8 0, 0.0 90,-2.8 0.000 360.0 360.0 360.0 125.7 42.5 8.7 23.3 2 2 A L E -ab 91 211A 5 208,-3.8 210,-3.8 209,-1.6 132,-2.0 -0.874 360.0-180.0-103.1 119.5 39.7 8.4 20.9 3 3 A I E -ab 92 212A 0 208,-3.8 210,-3.8 88,-3.0 90,-2.9 -0.966 9.8-161.7-121.0 132.2 36.8 10.8 21.3 4 4 A A E -ac 93 136A 0 208,-3.8 210,-3.8 131,-2.5 133,-3.0 -0.950 8.9-148.2-115.8 132.6 33.6 10.9 19.2 5 5 A I E -ac 94 137A 0 208,-3.8 210,-3.9 88,-3.4 90,-2.2 -0.876 25.3-178.4 -99.3 125.3 31.3 13.9 19.1 6 6 A E E +dc 215 138A 0 208,-3.9 210,-3.8 131,-3.1 133,-2.6 -0.806 17.3 112.5-122.8 163.3 27.7 13.0 18.5 7 7 A G E -d 216 0A 0 208,-3.8 210,-3.9 209,-1.7 209,-1.7 -0.802 58.6 -64.8 152.8 165.9 24.4 14.7 18.0 8 8 A V E > S-d 217 0A 10 208,-3.9 210,-3.8 209,-0.6 3,-1.5 -0.076 71.5 -67.1 -70.6 173.9 21.6 15.6 15.6 9 9 A D E 3 S+dE 218 219A 22 208,-3.8 210,-3.9 209,-1.2 209,-1.2 -0.456 123.2 14.6 -65.5 130.9 22.0 17.7 12.5 10 10 A G E 3 S+d 219 0A 3 208,-3.9 210,-3.8 209,-1.0 209,-1.0 0.667 84.2 128.0 79.1 18.0 22.7 21.3 13.4 11 11 A A E < S-d 220 0A 2 208,-3.8 210,-3.9 -3,-1.5 209,-1.0 0.739 83.3-104.3 -77.0 -22.3 23.6 20.5 17.1 12 12 A G E > S+d 221 0A 6 208,-3.9 210,-3.8 209,-0.6 4,-2.1 0.639 72.2 143.0 105.7 23.2 26.9 22.4 16.8 13 13 A K H > +dF 222 224A 15 208,-3.8 210,-3.8 209,-1.0 4,-2.5 0.916 69.1 52.6 -60.8 -48.2 29.2 19.4 16.6 14 14 A R H > S+dG 223 225A 52 208,-3.8 210,-3.9 209,-1.1 4,-1.7 0.909 111.7 47.7 -56.3 -43.6 31.7 20.9 14.1 15 15 A T H > S+d 224 0A 72 208,-3.9 210,-3.8 209,-1.0 4,-2.5 0.906 110.4 51.1 -65.4 -41.9 32.1 24.0 16.4 16 16 A L H X S+d 225 0A 9 208,-3.8 210,-3.8 -4,-2.1 4,-3.1 0.880 106.7 54.7 -64.1 -37.3 32.5 21.9 19.5 17 17 A V H X S+d 226 0A 15 208,-3.8 210,-3.8 -4,-2.5 4,-2.3 0.913 110.0 47.6 -61.5 -40.9 35.2 19.9 17.7 18 18 A E H X S+d 227 0A 65 208,-3.8 210,-3.8 -4,-1.7 4,-2.0 0.949 115.5 43.4 -64.0 -50.7 37.1 23.1 17.0 19 19 A K H X S+d 228 0A 110 208,-3.8 210,-3.8 -4,-2.5 4,-2.1 0.899 115.2 49.2 -62.6 -43.4 36.8 24.4 20.5 20 20 A L H X S+d 229 0A 0 208,-3.8 210,-3.8 -4,-3.1 4,-2.5 0.904 109.6 51.1 -64.7 -42.3 37.7 21.1 22.1 21 21 A S H X S+d 230 0A 5 208,-3.8 210,-3.9 -4,-2.3 4,-2.3 0.902 110.4 50.7 -61.6 -39.8 40.7 20.7 19.9 22 22 A G H X S+d 231 0A 36 208,-3.9 210,-3.9 -4,-2.0 4,-1.9 0.894 109.4 50.5 -64.4 -40.0 41.8 24.2 20.9 23 23 A A H < S+d 232 0A 19 208,-3.9 210,-3.8 -4,-2.1 209,-1.0 0.911 111.1 47.9 -65.0 -44.0 41.4 23.3 24.6 24 24 A F H <>S+d 233 0A 1 208,-3.8 210,-3.8 -4,-2.5 5,-2.2 0.915 112.9 48.1 -63.6 -42.7 43.4 20.1 24.3 25 25 A R H ><5S+d 234 0A 139 208,-3.8 210,-3.8 -4,-2.3 3,-1.4 0.831 106.1 57.7 -67.0 -31.2 46.2 22.0 22.4 26 26 A A E 3<5S+dH 235 236A 92 208,-3.8 210,-3.8 -4,-1.9 209,-1.2 0.726 105.5 52.6 -69.6 -20.6 46.1 24.7 25.0 27 27 A A E 3 5S-d 236 0A 60 208,-3.8 210,-3.8 209,-0.9 209,-0.9 0.342 126.1-102.4 -95.3 3.1 46.9 21.9 27.5 28 28 A G E < 5S+d 237 0A 66 208,-3.8 210,-3.8 -3,-1.4 209,-0.9 0.553 77.3 131.9 90.1 9.0 49.9 20.7 25.5 29 29 A R E < -d 238 0A 98 208,-3.8 210,-3.8 -5,-2.2 209,-1.4 -0.743 57.1-121.3 -98.8 142.9 48.3 17.7 23.8 30 30 A S E -d 239 0A 45 208,-3.8 210,-3.9 209,-1.3 60,-1.8 -0.589 33.7-161.2 -78.4 141.4 48.7 16.9 20.1 31 31 A V E -d 240 0A 7 208,-3.9 210,-3.9 209,-1.8 209,-1.8 -0.980 16.9-176.5-132.7 139.6 45.3 16.6 18.4 32 32 A A E -d 241 0A 9 208,-3.9 210,-3.8 209,-2.2 60,-2.7 -0.957 12.5-161.1-128.0 146.6 44.0 15.1 15.2 33 33 A T E +d 242 0A 73 208,-3.8 210,-3.9 209,-1.9 209,-1.9 -0.945 10.9 179.7-131.7 154.0 40.5 15.3 13.9 34 34 A L E -d 243 0A 25 208,-3.9 210,-3.8 209,-2.2 60,-2.4 -0.984 13.4-150.0-150.6 139.7 38.4 13.3 11.3 35 35 A A E -di 244 94A 45 208,-3.8 210,-3.7 209,-1.7 209,-1.7 -0.936 20.1-114.3-119.7 138.8 34.8 13.8 10.3 36 36 A F S S+ 0 0 7 208,-3.9 209,-2.0 58,-2.7 211,-0.2 -0.926 95.0 49.0-114.1 140.8 32.3 11.2 9.0 37 37 A P S S- 0 0 6 0, 0.0 210,-5.3 0, 0.0 211,-2.3 0.498 81.2-147.9 -70.0 149.4 31.0 11.0 6.4 38 38 A R E >> - j 0 247A 5 208,-2.7 210,-2.2 209,-1.5 3,-2.1 -0.483 20.0-163.2 -87.3 67.0 34.4 11.3 4.7 39 39 A Y E 34 S+ j 0 248A 20 208,-7.7 210,-5.3 -2,-1.7 209,-0.8 -0.238 72.6 17.5 -53.0 131.4 33.1 13.0 1.6 40 40 A G E 34 S+Kj 248 249A 30 209,-2.7 210,-8.1 208,-1.1 209,-0.5 0.083 119.2 65.3 93.4 -24.3 35.6 12.8 -1.3 41 41 A Q E <4 S+ 0 0 76 -3,-2.1 210,-3.1 206,-2.0 209,-0.4 0.523 102.3 46.8-105.6 -10.2 37.6 10.0 0.3 42 42 A S E < - j 0 251A 14 209,-1.2 210,-4.0 -4,-1.0 4,-1.9 -0.992 59.5-156.5-137.3 127.4 34.9 7.3 0.1 43 43 A V E S+ j 0 252A 86 208,-2.9 210,-4.0 209,-1.1 4,-2.3 0.873 101.6 56.3 -66.1 -35.9 32.7 6.4 -2.8 44 44 A A E S+ j 0 253A 15 208,-3.5 210,-2.8 209,-0.9 4,-2.0 0.902 106.3 48.9 -62.0 -42.5 30.2 5.0 -0.3 45 45 A A E > S+Lj 252 254A 0 208,-5.0 210,-3.9 209,-0.9 4,-2.3 0.921 112.2 47.8 -64.2 -45.1 30.1 8.3 1.6 46 46 A D E 4 S+Mj 253 255A 25 208,-3.7 210,-3.7 205,-2.9 4,-2.5 0.892 111.9 48.7 -64.0 -41.7 29.5 10.4 -1.6 47 47 A I E > S+ j 0 256A 52 208,-4.0 210,-3.8 205,-3.1 4,-2.4 0.895 110.1 53.6 -66.4 -39.1 26.7 8.1 -2.9 48 48 A A H > S+ j 0 257A 0 208,-3.8 210,-3.8 205,-2.1 4,-1.9 0.946 111.0 44.7 -60.4 -49.1 25.1 8.2 0.5 49 49 A A H < S+ j 0 258A 16 208,-3.8 210,-3.8 -4,-2.3 209,-1.0 0.918 113.2 50.6 -61.6 -44.8 25.0 12.0 0.5 50 50 A E H 4>S+ j 0 259A 69 208,-3.8 210,-3.8 205,-2.7 5,-2.4 0.871 108.2 53.2 -61.9 -37.5 23.8 12.1 -3.1 51 51 A A H ><5S+ j 0 260A 5 208,-3.8 210,-3.8 -4,-2.4 3,-1.7 0.894 105.3 53.8 -65.0 -38.7 21.0 9.7 -2.2 52 52 A L E 3<5S+Nj 262 261A 7 208,-3.8 210,-3.8 -4,-1.9 321,-2.4 0.625 106.6 54.5 -71.6 -10.5 19.9 11.9 0.6 53 53 A H E 3 5S- j 0 262A 95 208,-3.8 210,-3.8 209,-0.9 209,-0.9 0.170 133.0 -85.7-106.2 16.3 19.7 14.7 -1.9 54 54 A G E < 5S+ j 0 263A 72 208,-3.8 210,-3.8 -3,-1.7 209,-0.8 0.465 89.7 113.7 100.6 2.3 17.4 12.8 -4.3 55 55 A E E < + j 0 264A 107 208,-3.8 210,-3.9 -5,-2.4 209,-0.9 -0.397 48.1 48.4-100.6 177.6 19.7 10.7 -6.5 56 56 A H E > S- j 0 265A 78 208,-3.9 210,-3.9 209,-0.9 3,-2.1 0.891 94.1-105.3 61.1 48.9 20.3 7.0 -6.9 57 57 A G E 3 S-Oj 267 266A 78 208,-3.9 210,-3.8 209,-0.9 209,-0.9 -0.053 88.4 -9.2 45.2-125.5 16.8 5.7 -7.2 58 58 A D E 3 S+ j 0 267A 130 208,-3.8 210,-3.8 209,-1.0 209,-1.0 0.229 100.1 108.6 -91.2 14.5 15.4 3.8 -4.2 59 59 A L E X S+ j 0 268A 38 208,-3.8 210,-3.8 -3,-2.1 3,-1.8 0.937 76.6 49.4 -58.0 -52.7 18.7 3.7 -2.3 60 60 A A E 3 S+Pj 270 269A 13 208,-3.8 210,-3.8 209,-1.1 209,-1.1 0.713 97.2 71.0 -61.8 -20.7 17.7 6.2 0.4 61 61 A S E 3 S+ j 0 270A 90 208,-3.8 210,-3.8 209,-1.1 209,-1.1 0.669 85.3 80.2 -71.2 -14.9 14.4 4.5 1.1 62 62 A S E <> - j 0 271A 50 208,-3.8 210,-3.9 -3,-1.8 4,-1.8 -0.845 64.4-162.6 -97.0 120.1 16.3 1.6 2.7 63 63 A V H > S+Qj 274 272A 17 208,-3.9 210,-3.8 209,-1.0 4,-2.1 0.922 93.1 45.6 -64.3 -44.6 17.4 2.2 6.3 64 64 A Y H > S+Rj 275 273A 82 208,-3.8 210,-3.8 209,-1.0 4,-2.4 0.808 108.1 56.7 -72.2 -28.2 19.9 -0.6 6.2 65 65 A A H > S+ j 0 274A 33 208,-3.8 210,-3.8 209,-1.0 4,-2.1 0.933 110.1 45.1 -67.1 -44.9 21.3 0.4 2.8 66 66 A M H X S+ j 0 275A 1 208,-3.8 210,-3.8 -4,-1.8 4,-2.0 0.934 113.4 49.8 -64.0 -44.6 22.1 3.9 4.1 67 67 A A H X S+ j 0 276A 1 208,-3.8 210,-3.8 -4,-2.1 4,-2.1 0.906 109.1 53.1 -61.0 -39.7 23.6 2.5 7.3 68 68 A T H X S+ j 0 277A 52 208,-3.8 210,-3.8 -4,-2.4 4,-2.6 0.907 106.6 52.0 -63.5 -40.4 25.7 0.1 5.3 69 69 A L H X S+ j 0 278A 27 208,-3.8 210,-3.8 -4,-2.1 213,-1.9 0.925 111.0 46.5 -63.3 -43.0 27.1 2.9 3.2 70 70 A F H X S+ j 0 279A 25 208,-3.8 210,-3.8 -4,-2.0 4,-1.9 0.861 113.1 50.6 -67.2 -32.8 28.2 4.9 6.2 71 71 A A H X S+ j 0 280A 2 208,-3.8 210,-3.8 -4,-2.1 4,-2.2 0.871 108.4 51.5 -71.0 -37.6 29.7 1.8 7.8 72 72 A L H X S+ j 0 281A 88 208,-3.8 210,-3.8 -4,-2.6 213,-1.7 0.837 107.1 55.0 -68.2 -29.9 31.6 1.1 4.6 73 73 A D H < S+ j 0 282A 0 208,-3.8 210,-4.8 -4,-1.7 209,-0.9 0.952 111.6 42.5 -66.0 -49.0 32.9 4.6 4.7 74 74 A R H < S+ j 0 283A 7 208,-3.0 210,-2.9 -4,-1.9 3,-1.3 0.838 106.7 63.0 -66.1 -33.1 34.2 4.1 8.3 75 75 A A H >< S+ j 0 284A 4 208,-4.8 210,-2.4 -4,-2.2 212,-1.4 0.892 101.3 51.6 -58.9 -39.7 35.6 0.6 7.3 76 76 A G E 3< S+Sj 284 285A 14 208,-6.0 210,-6.0 -4,-1.5 209,-1.1 0.601 107.1 55.2 -73.5 -9.5 37.9 2.3 4.9 77 77 A A E 3> S+ j 0 286A 0 208,-2.4 210,-4.0 206,-2.3 213,-3.0 0.306 75.0 100.5-104.7 6.7 39.1 4.6 7.6 78 78 A V H <> S+Tj 289 287A 3 208,-3.2 210,-3.8 -3,-1.2 213,-2.9 0.939 84.9 46.3 -56.5 -50.7 40.1 1.9 10.1 79 79 A H H > S+Uj 290 288A 83 208,-3.6 210,-4.4 209,-1.2 4,-2.8 0.904 113.4 49.5 -59.2 -43.9 43.8 2.2 9.2 80 80 A T H > S+ j 0 289A 12 208,-3.0 210,-4.8 209,-1.3 4,-2.9 0.940 112.0 47.6 -61.4 -48.8 43.7 6.0 9.4 81 81 A I H < S+ j 0 290A 0 -4,-2.9 210,-3.9 208,-2.7 4,-1.9 0.910 114.2 47.2 -60.4 -42.5 42.0 5.9 12.8 82 82 A Q H X S+ j 0 291A 82 208,-3.6 210,-3.8 -4,-2.8 4,-1.1 0.911 113.7 48.2 -66.9 -39.7 44.5 3.4 14.1 83 83 A G H < S+ j 0 292A 26 208,-3.8 210,-3.8 -4,-2.8 209,-1.0 0.893 110.6 50.5 -66.3 -40.6 47.4 5.4 12.7 84 84 A L E >X S+ j 0 293A 35 208,-3.8 210,-3.8 -4,-2.9 4,-2.2 0.872 107.1 54.7 -65.4 -37.7 46.1 8.7 14.2 85 85 A C E 34 S+Vj 295 294A 45 208,-3.8 210,-3.8 205,-2.0 209,-1.1 0.767 110.7 44.9 -68.3 -26.6 45.6 7.2 17.6 86 86 A R E 3< S+ j 0 295A 192 208,-3.8 210,-3.9 -4,-1.1 209,-0.9 0.430 118.9 43.7 -96.2 0.8 49.2 6.0 17.8 87 87 A G E <4 S+ j 0 296A 55 208,-3.9 210,-3.8 -3,-0.8 209,-0.5 0.631 112.8 45.9-115.1 -23.1 50.5 9.3 16.5 88 88 A Y E < S- j 0 297A 102 208,-3.8 210,-3.8 -4,-2.2 209,-1.7 -0.878 70.1-131.8-123.3 155.8 48.5 11.8 18.4 89 89 A D E S+ j 0 298A 88 208,-3.8 210,-3.9 209,-1.0 209,-1.0 0.856 97.6 22.4 -70.3 -35.8 47.6 12.2 22.1 90 90 A V E - j 0 299A 1 208,-3.9 210,-3.9 209,-1.9 -58,-2.1 -0.998 61.8-167.2-137.6 136.4 43.9 12.8 21.2 91 91 A V E -aj 2 300A 0 208,-3.9 210,-3.8 -90,-2.8 -88,-3.0 -0.990 12.9-165.3-123.0 120.4 41.9 11.9 18.1 92 92 A I E -aj 3 301A 0 208,-3.8 210,-3.9 -60,-2.7 -58,-1.9 -0.926 2.1-158.5-112.0 130.5 38.5 13.6 17.9 93 93 A L E -aj 4 302A 0 208,-3.9 210,-3.7 -90,-2.9 -88,-3.4 -0.902 15.8-143.2-111.4 132.8 35.8 12.4 15.5 94 94 A D E S-aj 5 303A 9 208,-3.9 210,-3.9 -60,-2.4 -58,-2.7 -0.824 87.0 -13.9 -92.7 96.6 32.9 14.5 14.2 95 95 A R E S+ j 0 304A 29 208,-4.0 210,-3.8 -90,-2.2 -59,-0.2 0.371 77.2 173.7 81.3 144.1 30.3 11.7 14.2 96 96 A Y E > - j 0 305A 0 208,-3.8 210,-3.8 209,-1.6 209,-1.6 -0.718 54.2 -39.5-153.9-154.5 31.2 8.0 14.5 97 97 A V E 3> S+Wj 307 306A 0 208,-3.8 210,-3.7 209,-1.1 4,-1.4 0.824 124.3 63.7 -53.7 -38.3 29.5 4.7 14.8 98 98 A A H 3> S+ j 0 307A 0 208,-3.7 210,-3.8 209,-1.1 4,-3.0 0.793 92.0 65.4 -60.0 -28.2 26.7 5.9 17.2 99 99 A S H <> S+Xj 310 308A 10 208,-3.8 210,-3.8 -3,-1.5 4,-2.5 0.912 102.1 49.2 -59.5 -41.0 25.4 8.2 14.5 100 100 A N H > S+ j 0 309A 8 208,-3.8 210,-3.8 209,-1.0 4,-1.9 0.899 112.1 47.2 -66.4 -39.6 24.5 5.1 12.6 101 101 A A H X S+ j 0 310A 0 208,-3.8 210,-3.8 -4,-1.4 4,-2.2 0.940 115.0 46.1 -66.9 -45.8 22.7 3.5 15.5 102 102 A A H X S+ j 0 311A 0 208,-3.8 210,-3.8 -4,-3.0 4,-2.3 0.948 117.7 39.5 -63.6 -52.7 20.8 6.7 16.4 103 103 A Y H X S+ j 0 312A 14 208,-3.8 210,-3.8 -4,-2.5 4,-2.4 0.886 116.6 50.4 -67.3 -38.5 19.6 7.6 12.9 104 104 A S H X S+ j 0 313A 7 208,-3.8 210,-3.8 -4,-1.9 4,-1.4 0.933 112.8 45.8 -65.4 -45.4 18.8 4.0 11.9 105 105 A A H <>S+ j 0 314A 0 208,-3.8 210,-3.8 -4,-2.2 5,-2.9 0.942 113.8 50.3 -61.3 -46.5 16.8 3.3 15.1 106 106 A A H <5S+ j 0 315A 0 208,-3.8 210,-3.7 -4,-2.3 3,-1.1 0.877 106.4 53.5 -61.6 -39.3 15.0 6.5 14.7 107 107 A R H <5S+ j 0 316A 50 208,-3.7 210,-3.8 -4,-2.4 209,-1.1 0.844 114.3 43.6 -65.0 -29.8 14.1 5.9 11.0 108 108 A L E <5S- j 0 317A 63 208,-3.8 210,-3.8 -4,-1.4 209,-0.9 0.378 113.1-118.8 -94.0 2.7 12.6 2.6 12.1 109 109 A H E 5S+ j 0 318A 137 208,-3.8 210,-3.9 209,-1.1 209,-1.1 0.862 70.2 136.4 60.2 37.2 10.8 4.1 15.1 110 110 A E E < - j 0 319A 53 208,-3.9 210,-3.8 -5,-2.9 209,-1.2 -0.610 49.8-125.2-106.0 168.1 12.9 1.8 17.4 111 111 A N E > - j 0 320A 78 208,-3.8 210,-3.8 209,-1.0 3,-1.9 -0.479 39.0 -87.0-104.9-177.8 14.7 2.6 20.6 112 112 A A E 3 S+Yj 322 321A 5 208,-3.8 210,-3.8 209,-1.1 209,-1.1 0.712 127.5 55.5 -63.3 -21.9 18.3 2.1 21.6 113 113 A A E 3 S+ j 0 322A 84 208,-3.8 210,-3.9 209,-1.0 209,-1.0 0.284 95.1 106.9 -93.5 11.3 17.7 -1.5 22.8 114 114 A G E <> S- j 0 323A 17 208,-3.9 210,-3.9 -3,-1.9 4,-1.5 -0.043 86.2 -90.3 -83.6-174.9 16.2 -2.3 19.3 115 115 A K H > S+Zj 326 324A 161 208,-3.9 210,-3.8 209,-0.9 4,-2.1 0.880 117.0 52.1 -62.7 -46.4 17.3 -4.3 16.3 116 116 A A H > S+Aj 327 325A 1 208,-3.8 210,-3.8 209,-1.0 4,-2.4 0.915 108.7 48.9 -62.8 -45.4 19.0 -1.6 14.3 117 117 A A H > S+ j 0 326A 0 208,-3.8 210,-3.8 209,-1.1 4,-1.9 0.904 112.7 49.2 -62.4 -39.4 21.3 -0.4 17.2 118 118 A A H X S+ j 0 327A 42 208,-3.8 210,-3.8 -4,-1.5 4,-2.4 0.868 109.3 52.6 -66.9 -36.2 22.3 -4.1 17.8 119 119 A W H X S+ j 0 328A 41 208,-3.8 210,-3.8 -4,-2.1 4,-2.8 0.920 107.6 51.3 -64.9 -43.9 23.0 -4.6 14.1 120 120 A V H X S+ j 0 329A 0 208,-3.8 210,-3.8 -4,-2.4 4,-2.4 0.907 109.4 51.4 -60.4 -41.8 25.3 -1.5 14.1 121 121 A Q H X>S+ j 0 330A 46 208,-3.8 210,-3.8 -4,-1.9 5,-1.6 0.968 113.6 43.8 -57.4 -54.5 27.2 -3.0 17.0 122 122 A R H <>S+ j 0 331A 145 208,-3.8 210,-3.8 -4,-2.4 5,-2.3 0.877 120.6 39.5 -59.7 -43.1 27.7 -6.3 15.3 123 123 A I H <>S+ j 0 332A 29 208,-3.8 210,-3.8 -4,-2.8 5,-2.4 0.954 123.6 31.7 -76.0 -52.0 28.6 -4.9 12.0 124 124 A E H <5S+ j 0 333A 0 208,-3.8 210,-3.8 -4,-2.4 6,-2.2 0.936 128.5 28.9 -77.8 -47.2 30.8 -1.9 12.8 125 125 A F E <5S+ j 0 334A 16 208,-3.8 210,-3.8 -4,-1.3 209,-0.8 0.945 132.5 27.4 -80.8 -49.1 32.6 -2.8 16.0 126 126 A A E - b 0 351A 74 208,-3.8 210,-3.9 209,-1.0 4,-2.3 -0.344 35.0-129.4 -60.2 138.6 16.5 21.2 21.5 143 143 A A H > S+Db 354 352A 39 208,-3.9 210,-3.8 209,-1.1 4,-2.1 0.881 108.4 53.7 -57.4 -39.3 15.1 19.7 18.3 144 144 A E H > S+Eb 355 353A 83 208,-3.8 210,-3.8 209,-1.0 4,-1.7 0.918 109.6 45.8 -62.7 -46.2 13.6 23.1 17.4 145 145 A L H > S+ b 0 354A 51 208,-3.8 210,-3.8 209,-1.0 4,-1.9 0.896 112.2 49.9 -65.9 -42.7 17.0 24.9 17.7 146 146 A A H X S+ b 0 355A 3 208,-3.8 210,-3.9 -4,-2.3 4,-2.0 0.904 110.7 50.5 -63.4 -40.6 19.0 22.3 15.8 147 147 A G H X S+ b 0 356A 25 208,-3.9 210,-3.8 -4,-2.1 4,-2.1 0.865 107.7 53.6 -64.8 -36.0 16.4 22.4 13.0 148 148 A E H X S+ b 0 357A 60 208,-3.8 210,-3.8 -4,-1.7 4,-2.4 0.878 107.7 51.1 -65.9 -37.5 16.6 26.2 12.9 149 149 A R H X S+ b 0 358A 106 208,-3.8 210,-3.8 -4,-1.9 4,-2.1 0.909 109.2 49.6 -66.6 -42.2 20.4 25.9 12.5 150 150 A S H X S+ b 0 359A 5 208,-3.8 210,-3.8 -4,-2.0 4,-1.6 0.899 112.8 47.3 -63.5 -40.9 20.1 23.5 9.6 151 151 A R H X S+ b 0 360A 146 208,-3.8 210,-3.8 -4,-2.1 4,-1.6 0.909 110.2 52.3 -67.0 -42.6 17.6 25.7 7.8 152 152 A G H X S+ b 0 361A 28 208,-3.8 210,-3.8 -4,-2.4 4,-1.7 0.882 106.4 54.6 -61.3 -38.4 19.8 28.8 8.4 153 153 A R H < S+ b 0 362A 51 208,-3.8 210,-3.8 -4,-2.1 4,-1.2 0.908 106.8 49.9 -61.7 -42.4 22.7 27.0 6.8 154 154 A A H < S+ b 0 363A 24 208,-3.8 210,-3.8 -4,-1.6 209,-1.1 0.831 108.6 55.1 -66.4 -31.5 20.8 26.2 3.7 155 155 A Q H < S+ b 0 364A 173 208,-3.8 210,-3.8 -4,-1.6 209,-0.9 0.856 115.7 34.4 -70.7 -36.8 19.8 29.9 3.4 156 156 A R E < S+ b 0 365A 161 208,-3.8 210,-3.8 -4,-1.7 209,-0.9 0.520 119.6 50.9 -97.9 -4.5 23.3 31.3 3.5 157 157 A D B > -M 366 0C 50 208,-3.8 3,-2.4 209,-1.5 212,-2.1 -0.893 56.7-165.3-138.0 108.0 25.1 28.6 1.6 158 158 A P B 3 S+F 368 0A 131 0, 0.0 210,-3.8 0, 0.0 212,-0.5 0.689 96.2 58.5 -63.0 -14.7 23.9 27.2 -1.8 159 159 A G E 3 S+ g 0 368A 7 208,-3.8 210,-5.1 209,-1.0 209,-1.0 0.316 98.9 61.9 -95.7 8.2 26.2 24.3 -1.2 160 160 A R E < + g 0 369A 77 208,-2.9 210,-4.7 -3,-2.4 209,-0.6 -0.170 64.5 156.0-126.7 41.4 24.4 23.4 2.0 161 161 A A E - g 0 370A 29 208,-3.0 210,-4.0 209,-1.1 209,-0.9 -0.400 51.3-100.2 -65.7 144.1 20.8 22.6 1.0 162 162 A R E - g 0 371A 29 208,-3.5 210,-4.3 209,-0.9 209,-0.9 -0.285 36.7-139.1 -66.3 151.3 19.1 20.3 3.5 163 163 A D E > - g 0 372A 2 208,-3.2 210,-5.2 209,-1.1 4,-1.9 -0.400 35.3 -82.0-101.7-176.8 18.9 16.6 2.8 164 164 A N E 4 S+Hg 375 373A 68 208,-2.9 210,-3.3 -112,-2.4 209,-1.0 0.796 128.3 45.6 -56.1 -33.9 16.1 14.0 3.3 165 165 A Y E 4 S+ g 0 374A 0 208,-4.3 210,-3.6 209,-0.8 3,-1.1 0.913 111.4 50.2 -77.0 -44.9 17.0 13.5 7.0 166 166 A E E 4 S+ g 0 375A 17 208,-4.0 210,-3.9 209,-1.1 209,-1.1 0.794 107.8 54.6 -63.8 -29.5 17.4 17.2 7.9 167 167 A R E < S+ g 0 376A 134 208,-3.8 210,-3.8 -4,-1.9 2,-1.1 0.591 90.6 85.2 -79.8 -12.0 14.0 18.0 6.3 168 168 A D E > - g 0 377A 52 208,-3.8 210,-3.8 209,-1.5 4,-2.2 -0.743 56.0-179.1 -95.2 89.9 12.3 15.3 8.5 169 169 A A H > S+Ig 380 378A 46 208,-3.8 210,-3.9 -2,-1.1 4,-2.0 0.881 81.8 50.7 -55.7 -44.0 11.6 17.1 11.8 170 170 A E H > S+Jg 381 379A 103 208,-3.9 210,-3.8 209,-1.0 4,-2.6 0.868 109.0 51.7 -63.4 -39.4 10.1 14.1 13.4 171 171 A L H > S+ g 0 380A 2 208,-3.8 210,-3.8 209,-1.0 4,-2.5 0.924 108.8 50.7 -64.2 -44.6 13.1 11.9 12.5 172 172 A Q H X S+ g 0 381A 18 208,-3.8 210,-3.8 -4,-2.2 4,-1.9 0.888 111.0 49.7 -60.7 -39.2 15.4 14.5 14.0 173 173 A Q H X S+ g 0 382A 115 208,-3.8 210,-3.8 -4,-2.0 4,-1.8 0.954 112.4 45.6 -64.4 -50.6 13.4 14.5 17.2 174 174 A R H X S+ g 0 383A 62 208,-3.8 210,-3.8 -4,-2.6 4,-2.4 0.852 110.3 55.4 -61.8 -34.6 13.4 10.7 17.5 175 175 A T H X S+ g 0 384A 0 208,-3.8 210,-3.9 -4,-2.5 4,-2.5 0.905 105.3 51.6 -65.8 -40.9 17.1 10.6 16.8 176 176 A G H X S+ g 0 385A 30 208,-3.9 210,-3.8 -4,-1.9 4,-1.8 0.898 110.4 50.2 -61.8 -38.6 17.8 13.0 19.6 177 177 A A H X S+ g 0 386A 58 208,-3.8 210,-3.8 -4,-1.8 4,-1.7 0.906 109.8 48.4 -67.3 -42.4 15.8 10.7 21.9 178 178 A V H X S+ g 0 387A 5 208,-3.8 210,-3.8 -4,-2.4 4,-2.9 0.906 108.5 55.7 -64.8 -39.5 17.7 7.5 20.8 179 179 A Y H X S+ g 0 388A 1 208,-3.8 210,-3.8 -4,-2.5 4,-2.4 0.916 105.3 52.0 -57.2 -43.9 20.9 9.4 21.4 180 180 A A H X S+ g 0 389A 55 208,-3.8 210,-3.8 -4,-1.8 4,-2.1 0.892 111.2 47.7 -60.6 -38.9 19.9 10.1 25.0 181 181 A E H X S+ g 0 390A 83 208,-3.8 210,-3.8 -4,-1.7 213,-1.9 0.909 109.1 52.6 -68.2 -43.7 19.1 6.4 25.5 182 182 A L H <>S+ g 0 391A 0 208,-3.8 210,-3.8 -4,-2.9 5,-2.5 0.910 110.7 48.6 -58.5 -42.0 22.5 5.4 23.9 183 183 A A H <5S+ g 0 392A 14 208,-3.8 210,-3.9 -4,-2.4 212,-1.0 0.934 108.6 53.2 -63.9 -46.3 24.3 7.7 26.3 184 184 A A H <5S+ g 0 393A 92 208,-3.9 210,-3.9 -4,-2.1 209,-1.1 0.810 113.7 42.1 -60.8 -32.5 22.4 6.4 29.4 185 185 A Q E <5S- g 0 394A 57 208,-3.7 210,-3.9 -4,-1.8 209,-0.9 0.600 109.4-121.1 -92.1 -8.8 23.3 2.8 28.6 186 186 A G E 5 - g 0 395A 29 208,-3.7 210,-3.8 209,-1.0 3,-1.6 0.885 37.1-163.8 73.0 37.6 26.9 3.6 27.7 187 187 A W E - g 0 404A 24 208,-3.9 210,-3.8 209,-1.0 3,-1.6 -0.509 39.4 -91.9-108.8 179.7 24.8 21.4 26.2 196 196 A A E 3 S+Kg 406 405A 77 208,-3.8 210,-3.8 209,-1.2 209,-1.2 0.721 124.6 55.9 -64.3 -20.2 25.5 24.2 23.8 197 197 A D E 3 S+ g 0 406A 151 208,-3.8 210,-3.8 209,-1.0 209,-1.0 0.156 76.0 137.5 -99.4 18.7 26.9 26.2 26.7 198 198 A V E < - g 0 407A 34 208,-3.8 210,-3.8 -3,-1.6 209,-1.0 -0.382 59.4-116.3 -66.6 141.3 29.5 23.6 27.8 199 199 A D B > -N 408 0D 88 208,-3.8 4,-2.7 209,-1.5 213,-2.7 -0.708 16.4-152.4 -83.4 113.1 33.0 25.0 28.7 200 200 A P H > S+O 411 0E 31 0, 0.0 210,-3.8 0, 0.0 4,-2.1 0.822 92.7 56.0 -51.2 -37.7 35.6 23.6 26.3 201 201 A G H > S+pQ 410 412E 43 208,-3.8 210,-3.8 209,-1.0 4,-1.3 0.922 113.0 37.2 -65.0 -47.4 38.3 23.9 28.9 202 202 A R H > S+p 411 0E 197 208,-3.8 210,-3.8 209,-1.0 4,-2.2 0.853 113.9 56.9 -74.5 -34.2 36.7 21.8 31.5 203 203 A L H X S+p 412 0E 8 208,-3.8 210,-3.8 -4,-2.7 4,-2.2 0.931 107.5 48.9 -61.5 -43.6 35.2 19.4 29.0 204 204 A A H X S+p 413 0E 7 208,-3.8 210,-3.8 -4,-2.1 4,-3.2 0.864 109.0 53.6 -62.7 -36.5 38.8 18.8 27.7 205 205 A A H < S+p 414 0E 74 208,-3.8 210,-3.8 -4,-1.3 209,-1.0 0.889 108.8 48.6 -65.5 -39.8 39.9 18.2 31.3 206 206 A T H < S+p 415 0E 78 208,-3.8 210,-3.8 -4,-2.2 209,-1.0 0.908 119.2 38.9 -66.3 -42.1 37.2 15.6 31.9 207 207 A L H < p 416 0E 4 208,-3.8 210,-3.8 -4,-2.2 209,-0.8 0.952 360.0 360.0 -74.8 -52.8 38.1 13.8 28.6 208 208 A A < 0 0 57 208,-3.8 209,-0.9 -4,-3.2 -3,-0.2 0.980 360.0 360.0 -56.7 360.0 41.9 14.1 28.7 209 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 210 1 B M 0 0 51 0, 0.0 -208,-3.8 0, 0.0 -119,-2.8 0.000 360.0 360.0 360.0 125.7 42.5 8.7 23.3 211 2 B L E -b 2 0A 5 -210,-3.8 -208,-3.8 -209,-1.6 -77,-2.0 -0.874 360.0-180.0-103.1 119.5 39.7 8.4 20.9 212 3 B I E -b 3 0A 0 -210,-3.8 -208,-3.8 -121,-3.0 -119,-2.9 -0.966 9.8-161.7-121.0 132.2 36.8 10.8 21.3 213 4 B A - 0 0 0 -210,-3.8 -208,-3.8 -78,-2.5 -76,-3.0 -0.950 8.9-148.2-115.8 132.6 33.6 10.9 19.2 214 5 B I - 0 0 0 -210,-3.8 -208,-3.9 -121,-3.4 -119,-2.2 -0.876 25.3-178.4 -99.3 125.3 31.3 13.9 19.1 215 6 B E E +d 6 0A 0 -210,-3.9 -208,-3.8 -78,-3.1 -76,-2.6 -0.806 17.3 112.5-122.8 163.3 27.7 13.0 18.5 216 7 B G E -d 7 0A 0 -210,-3.8 -208,-3.9 -209,-1.7 -209,-1.7 -0.802 58.6 -64.8 152.8 165.9 24.4 14.7 18.0 217 8 B V E S-d 8 0A 10 -210,-3.9 -208,-3.8 -209,-0.6 -206,-1.5 -0.076 71.5 -67.1 -70.6 173.9 21.6 15.6 15.6 218 9 B D E S+d 9 0A 22 -210,-3.8 -208,-3.9 -209,-1.2 -209,-1.2 -0.456 123.2 14.6 -65.5 130.9 22.0 17.7 12.5 219 10 B G E S+dE 10 9A 3 -210,-3.9 -208,-3.8 -209,-1.0 -209,-1.0 0.667 84.2 128.0 79.1 18.0 22.7 21.3 13.4 220 11 B A E S-d 11 0A 2 -210,-3.8 -208,-3.9 -212,-1.5 -209,-1.0 0.739 83.3-104.3 -77.0 -22.3 23.6 20.5 17.1 221 12 B G E S+d 12 0A 6 -210,-3.9 -208,-3.8 -209,-0.6 -205,-2.1 0.639 72.2 143.0 105.7 23.2 26.9 22.4 16.8 222 13 B K E +d 13 0A 15 -210,-3.8 -208,-3.8 -209,-1.0 -205,-2.5 0.916 69.1 52.6 -60.8 -48.2 29.2 19.4 16.6 223 14 B R E S+d 14 0A 52 -210,-3.8 -208,-3.9 -209,-1.1 -205,-1.7 0.909 111.7 47.7 -56.3 -43.6 31.7 20.9 14.1 224 15 B T E S+dF 15 13A 72 -210,-3.9 -208,-3.8 -209,-1.0 -205,-2.5 0.906 110.4 51.1 -65.4 -41.9 32.1 24.0 16.4 225 16 B L E S+dG 16 14A 9 -210,-3.8 -208,-3.8 -213,-2.1 -205,-3.1 0.880 106.7 54.7 -64.1 -37.3 32.5 21.9 19.5 226 17 B V E S+d 17 0A 15 -210,-3.8 -208,-3.8 -213,-2.5 -205,-2.3 0.913 110.0 47.6 -61.5 -40.9 35.2 19.9 17.7 227 18 B E E S+d 18 0A 65 -210,-3.8 -208,-3.8 -213,-1.7 -205,-2.0 0.949 115.5 43.4 -64.0 -50.7 37.1 23.1 17.0 228 19 B K E S+d 19 0A 110 -210,-3.8 -208,-3.8 -213,-2.5 -205,-2.1 0.899 115.2 49.2 -62.6 -43.4 36.8 24.4 20.5 229 20 B L E S+d 20 0A 0 -210,-3.8 -208,-3.8 -213,-3.1 -205,-2.5 0.904 109.6 51.1 -64.7 -42.3 37.7 21.1 22.1 230 21 B S 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