REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1tft_1_A DATA FIRST_RESID 240 DATA SEQUENCE MSDAVSSDRN FPNSTNLPRN PSMADYEARI FTFGTWIYSV NKEQLARAGF DATA SEQUENCE YALGEGDKVK CFHCGGGLTD WKPSEDPWEQ HAKWYPGCKY LLEQKGQEYI DATA SEQUENCE NNIHLTHSLE ECLVRTT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 240 M HA 0.000 4.481 4.480 0.002 0.000 0.227 240 M C 0.000 176.301 176.300 0.002 0.000 1.140 240 M CA 0.000 55.301 55.300 0.002 0.000 0.988 240 M CB 0.000 32.601 32.600 0.002 0.000 1.302 241 S N 3.023 118.724 115.700 0.002 0.000 2.443 241 S HA -0.033 4.437 4.470 0.001 0.000 0.284 241 S C -0.105 174.496 174.600 0.002 0.000 1.206 241 S CA 0.263 58.465 58.200 0.002 0.000 1.074 241 S CB 0.575 63.777 63.200 0.002 0.000 0.963 241 S HN 0.119 8.431 8.310 0.002 0.000 0.501 242 D N 6.830 127.231 120.400 0.001 0.000 2.078 242 D HA -0.151 4.490 4.640 0.002 0.000 0.193 242 D C -0.941 175.360 176.300 0.002 0.000 0.990 242 D CA 0.557 54.558 54.000 0.001 0.000 0.827 242 D CB 0.433 41.233 40.800 0.000 0.000 0.975 242 D HN 0.613 8.984 8.370 0.000 0.000 0.451 243 A N -2.550 120.270 122.820 0.000 0.000 2.026 243 A HA -0.159 4.159 4.320 -0.002 0.000 0.259 243 A C -0.578 177.006 177.584 0.000 0.000 1.374 243 A CA 0.318 52.355 52.037 -0.000 0.000 0.717 243 A CB -1.512 17.489 19.000 0.002 0.000 1.187 243 A HN 0.046 8.196 8.150 -0.001 0.000 0.296 244 V N -2.464 117.449 119.914 -0.002 0.000 2.966 244 V HA 0.331 4.452 4.120 0.002 0.000 0.378 244 V C -0.586 175.506 176.094 -0.004 0.000 1.279 244 V CA 0.351 62.650 62.300 -0.001 0.000 1.439 244 V CB -0.366 31.456 31.823 -0.002 0.000 1.451 244 V HN -0.044 8.144 8.190 -0.004 0.000 0.570 245 S N 1.284 116.982 115.700 -0.004 0.000 5.659 245 S HA -0.006 4.461 4.470 -0.006 0.000 0.135 245 S C -0.156 174.440 174.600 -0.007 0.000 1.128 245 S CA 0.152 58.348 58.200 -0.008 0.000 1.392 245 S CB 0.398 63.588 63.200 -0.016 0.000 1.926 245 S HN -0.275 7.954 8.310 -0.001 0.081 0.537 246 S N 3.024 118.720 115.700 -0.006 0.000 2.409 246 S HA 0.166 4.632 4.470 -0.007 0.000 0.308 246 S C -1.215 173.386 174.600 0.001 0.000 1.080 246 S CA 0.682 58.880 58.200 -0.004 0.000 1.081 246 S CB 0.273 63.471 63.200 -0.004 0.000 1.009 246 S HN 0.127 8.433 8.310 -0.007 0.000 0.502 247 D N 4.610 125.012 120.400 0.003 0.000 2.151 247 D HA 0.064 4.707 4.640 0.006 0.000 0.260 247 D C -1.274 175.032 176.300 0.010 0.000 1.358 247 D CA 0.868 54.873 54.000 0.007 0.000 1.309 247 D CB 1.149 41.955 40.800 0.010 0.000 2.149 247 D HN 0.467 8.837 8.370 0.001 0.000 0.379 248 R N 0.152 120.661 120.500 0.015 0.000 2.831 248 R HA 0.394 4.743 4.340 0.015 0.000 0.266 248 R C -0.977 175.333 176.300 0.017 0.000 1.051 248 R CA -1.081 55.032 56.100 0.022 0.000 0.943 248 R CB 1.164 31.489 30.300 0.042 0.000 1.228 248 R HN 0.068 8.347 8.270 0.015 0.000 0.467 249 N N 0.077 118.785 118.700 0.014 0.000 2.327 249 N HA 0.010 4.699 4.740 -0.086 0.000 0.257 249 N C 0.034 175.584 175.510 0.067 0.000 1.281 249 N CA -0.305 52.712 53.050 -0.055 0.000 0.942 249 N CB 0.351 38.734 38.487 -0.174 0.000 1.199 249 N HN -0.040 8.358 8.380 0.030 0.000 0.532 250 F N -3.555 116.392 119.950 -0.005 0.000 2.576 250 F HA -0.245 4.279 4.527 -0.006 0.000 0.316 250 F C -1.601 174.195 175.800 -0.007 0.000 1.063 250 F CA -0.289 57.707 58.000 -0.006 0.000 1.093 250 F CB -1.749 37.249 39.000 -0.004 0.000 1.399 250 F HN 0.293 8.366 8.300 -0.379 0.000 0.819 251 P HA -0.208 4.247 4.420 0.058 0.000 0.215 251 P C -0.350 176.997 177.300 0.078 0.000 1.157 251 P CA 1.444 64.587 63.100 0.072 0.000 0.868 251 P CB 0.408 32.128 31.700 0.033 0.000 0.788 252 N N -6.633 112.123 118.700 0.093 0.000 2.707 252 N HA 0.013 4.785 4.740 0.054 0.000 0.330 252 N C -0.754 174.800 175.510 0.074 0.000 0.667 252 N CA 0.442 53.531 53.050 0.065 0.000 1.417 252 N CB 1.389 39.898 38.487 0.037 0.000 1.416 252 N HN -0.101 8.346 8.380 0.113 0.000 1.551 253 S N -2.585 113.161 115.700 0.077 0.000 5.984 253 S HA 0.065 4.605 4.470 0.116 0.000 0.117 253 S C -0.304 174.334 174.600 0.063 0.000 1.161 253 S CA 1.247 59.493 58.200 0.076 0.000 1.393 253 S CB -0.718 62.505 63.200 0.038 0.000 1.908 253 S HN -0.337 8.012 8.310 0.065 0.000 0.533 254 T N 2.301 116.878 114.554 0.038 0.000 2.746 254 T HA -0.164 4.202 4.350 0.027 0.000 0.267 254 T C 0.433 175.146 174.700 0.022 0.000 1.039 254 T CA 1.471 63.586 62.100 0.026 0.000 1.142 254 T CB -0.081 68.796 68.868 0.016 0.000 0.866 254 T HN -0.228 8.031 8.240 0.032 0.000 0.444 255 N N 2.266 120.979 118.700 0.021 0.000 2.396 255 N HA -0.144 4.593 4.740 -0.005 0.000 0.287 255 N C -0.892 174.620 175.510 0.004 0.000 1.316 255 N CA 0.296 53.349 53.050 0.006 0.000 0.972 255 N CB -0.208 38.281 38.487 0.004 0.000 1.341 255 N HN -0.289 8.107 8.380 0.026 0.000 0.487 256 L N 5.910 127.129 121.223 -0.007 0.000 2.439 256 L HA 0.140 4.476 4.340 -0.007 0.000 0.261 256 L C -0.155 176.690 176.870 -0.042 0.000 1.153 256 L CA -1.550 53.281 54.840 -0.015 0.000 0.808 256 L CB 0.246 42.300 42.059 -0.007 0.000 1.126 256 L HN -0.257 7.968 8.230 -0.008 0.000 0.460 257 P HA -0.129 4.235 4.420 -0.093 0.000 0.211 257 P C -0.214 177.050 177.300 -0.061 0.000 1.179 257 P CA 1.839 64.892 63.100 -0.077 0.000 0.910 257 P CB 0.566 32.214 31.700 -0.087 0.000 0.785 258 R N -4.954 115.519 120.500 -0.046 0.000 4.105 258 R HA -0.033 4.278 4.340 -0.047 0.000 0.041 258 R C -1.993 174.297 176.300 -0.018 0.000 0.789 258 R CA 0.306 56.382 56.100 -0.040 0.000 2.377 258 R CB 0.357 30.628 30.300 -0.048 0.000 1.294 258 R HN -0.514 7.733 8.270 -0.039 0.000 0.464 259 N N -0.986 117.708 118.700 -0.010 0.000 2.568 259 N HA -0.141 4.604 4.740 0.008 0.000 0.277 259 N C -2.030 173.497 175.510 0.030 0.000 1.200 259 N CA -0.209 52.847 53.050 0.009 0.000 0.702 259 N CB -1.432 37.062 38.487 0.011 0.000 0.889 259 N HN 0.215 8.584 8.380 -0.018 0.000 0.546 260 P HA -0.259 4.202 4.420 0.068 0.000 0.213 260 P C -0.078 177.294 177.300 0.121 0.000 1.170 260 P CA 1.869 65.009 63.100 0.067 0.000 0.902 260 P CB 0.073 31.801 31.700 0.046 0.000 0.789 261 S N -2.280 113.484 115.700 0.107 0.000 4.069 261 S HA -0.023 4.627 4.470 0.301 0.000 0.192 261 S C -0.741 173.934 174.600 0.125 0.000 1.441 261 S CA 1.775 60.075 58.200 0.166 0.000 0.994 261 S CB -1.673 61.585 63.200 0.098 0.000 1.456 261 S HN 0.193 8.542 8.310 0.064 0.000 0.458 262 M N -0.776 118.890 119.600 0.110 0.000 1.510 262 M HA 0.027 4.542 4.480 0.058 0.000 0.180 262 M C -1.428 174.905 176.300 0.054 0.000 1.059 262 M CA 1.155 56.493 55.300 0.064 0.000 0.775 262 M CB 1.904 34.530 32.600 0.043 0.000 1.664 262 M HN -0.049 8.254 8.290 0.129 0.065 0.630 263 A N -2.331 120.526 122.820 0.062 0.000 2.585 263 A HA 0.296 4.656 4.320 0.065 0.000 0.281 263 A C -1.417 176.217 177.584 0.083 0.000 0.945 263 A CA 0.128 52.202 52.037 0.062 0.000 1.031 263 A CB 1.399 20.422 19.000 0.039 0.000 1.221 263 A HN -0.282 7.908 8.150 0.067 0.000 0.496 264 D N -1.713 118.754 120.400 0.113 0.000 2.971 264 D HA 0.147 4.870 4.640 0.138 0.000 0.221 264 D C 0.938 177.356 176.300 0.198 0.000 1.406 264 D CA 1.779 55.865 54.000 0.143 0.000 1.328 264 D CB 2.133 43.003 40.800 0.117 0.000 1.369 264 D HN -0.510 7.933 8.370 0.122 0.000 0.364 265 Y N 1.793 122.150 120.300 0.095 0.000 2.109 265 Y HA -0.336 4.277 4.550 0.106 0.000 0.285 265 Y C 1.359 177.334 175.900 0.124 0.000 1.131 265 Y CA 3.609 61.767 58.100 0.096 0.000 1.121 265 Y CB 0.431 38.925 38.460 0.058 0.000 0.987 265 Y HN 0.111 8.460 8.280 0.292 0.106 0.495 266 E N -1.371 118.555 120.200 -0.456 0.000 2.152 266 E HA -0.368 3.477 4.350 -0.843 0.000 0.192 266 E C 1.906 178.458 176.600 -0.079 0.000 0.983 266 E CA 2.998 59.107 56.400 -0.485 0.000 0.818 266 E CB -0.536 29.006 29.700 -0.263 0.000 0.758 266 E HN 0.185 8.507 8.360 -0.062 0.000 0.467 267 A N -1.348 121.501 122.820 0.049 0.000 1.855 267 A HA -0.349 4.112 4.320 0.234 0.000 0.215 267 A C 1.981 179.720 177.584 0.259 0.000 1.191 267 A CA 3.261 55.409 52.037 0.185 0.000 0.613 267 A CB -0.588 18.509 19.000 0.163 0.000 0.829 267 A HN 0.284 8.458 8.150 0.040 0.000 0.442 268 R N -2.239 118.410 120.500 0.249 0.000 2.082 268 R HA -0.297 4.252 4.340 0.348 0.000 0.234 268 R C 2.489 179.029 176.300 0.399 0.000 1.136 268 R CA 2.410 58.719 56.100 0.349 0.000 0.935 268 R CB -0.618 29.938 30.300 0.426 0.000 0.842 268 R HN -0.605 7.680 8.270 0.206 0.108 0.430 269 I N -0.649 120.114 120.570 0.322 0.000 2.194 269 I HA -0.419 4.040 4.170 0.481 0.000 0.246 269 I C 1.563 177.853 176.117 0.289 0.000 1.093 269 I CA 3.312 64.791 61.300 0.300 0.000 1.355 269 I CB -1.008 36.998 38.000 0.010 0.000 1.046 269 I HN -0.560 7.761 8.210 0.185 0.000 0.413 270 F N -0.490 119.494 119.950 0.057 0.000 2.202 270 F HA -0.351 4.196 4.527 0.033 0.000 0.301 270 F C 1.065 176.889 175.800 0.040 0.000 1.082 270 F CA 3.012 61.034 58.000 0.037 0.000 1.313 270 F CB -0.316 38.690 39.000 0.011 0.000 1.024 270 F HN -0.031 8.327 8.300 0.281 0.111 0.495 271 T N -1.531 112.931 114.554 -0.154 0.000 2.942 271 T HA -0.249 3.758 4.350 -0.571 0.000 0.265 271 T C 1.402 175.885 174.700 -0.362 0.000 1.062 271 T CA 2.952 64.806 62.100 -0.409 0.000 1.139 271 T CB 0.184 68.771 68.868 -0.470 0.000 0.883 271 T HN -0.242 7.889 8.240 0.065 0.148 0.468 272 F N 0.652 120.577 119.950 -0.043 0.000 2.094 272 F HA -0.166 4.403 4.527 0.071 0.000 0.291 272 F C 0.559 176.442 175.800 0.137 0.000 1.109 272 F CA 2.603 60.654 58.000 0.084 0.000 1.221 272 F CB 0.960 40.051 39.000 0.152 0.000 1.014 272 F HN -0.996 7.304 8.300 0.188 0.113 0.473 273 G N -5.145 103.851 108.800 0.327 0.000 2.392 273 G HA2 -0.179 3.886 3.960 0.176 0.000 0.677 273 G HA3 -0.179 3.932 3.960 0.252 0.000 0.677 273 G C 0.037 175.093 174.900 0.260 0.000 1.334 273 G CA -0.536 44.714 45.100 0.250 0.000 0.961 273 G HN -0.090 8.406 8.290 0.344 0.000 0.616 274 T N 1.221 115.899 114.554 0.207 0.000 2.822 274 T HA -0.392 4.025 4.350 0.111 0.000 0.270 274 T C 1.427 176.230 174.700 0.172 0.000 1.064 274 T CA 3.160 65.352 62.100 0.155 0.000 1.131 274 T CB 0.057 69.003 68.868 0.129 0.000 0.858 274 T HN 0.342 8.695 8.240 0.189 0.000 0.483 275 W N 1.239 122.576 121.300 0.061 0.000 2.226 275 W HA -0.160 4.533 4.660 0.055 0.000 0.352 275 W C -1.496 175.056 176.519 0.054 0.000 1.277 275 W CA 0.825 58.214 57.345 0.073 0.000 1.305 275 W CB 0.725 30.248 29.460 0.106 0.000 1.193 275 W HN -0.545 7.863 8.180 0.431 0.030 0.596 276 I N 2.243 122.263 120.570 -0.916 0.000 3.263 276 I HA -0.049 3.340 4.170 -1.301 0.000 0.314 276 I C -1.588 173.949 176.117 -0.966 0.000 1.269 276 I CA -1.775 58.897 61.300 -1.047 0.000 0.942 276 I CB 2.740 40.395 38.000 -0.576 0.000 1.305 276 I HN -0.208 7.520 8.210 -0.803 0.000 0.474 277 Y N -1.110 118.781 120.300 -0.681 0.000 3.042 277 Y HA 0.181 4.583 4.550 -0.248 0.000 0.230 277 Y C -0.380 175.385 175.900 -0.226 0.000 1.107 277 Y CA 0.189 58.065 58.100 -0.373 0.000 1.346 277 Y CB 0.628 38.907 38.460 -0.302 0.000 1.421 277 Y HN 0.520 7.966 8.280 -1.390 0.000 0.438 278 S N 0.133 115.567 115.700 -0.443 0.000 3.889 278 S HA 0.034 4.506 4.470 -0.143 -0.088 0.185 278 S C -0.761 173.616 174.600 -0.371 0.000 0.937 278 S CA 0.053 58.103 58.200 -0.250 0.000 0.985 278 S CB 0.602 63.768 63.200 -0.056 0.000 1.299 278 S HN -0.553 7.073 8.310 -1.140 0.000 0.673 279 V N 0.031 119.655 119.914 -0.484 0.000 3.193 279 V HA 0.266 4.205 4.120 -0.301 0.000 0.320 279 V C -1.837 173.935 176.094 -0.537 0.000 1.112 279 V CA -2.171 59.888 62.300 -0.402 0.000 1.026 279 V CB 2.460 34.112 31.823 -0.285 0.000 1.128 279 V HN -0.420 7.430 8.190 -0.567 0.000 0.452 280 N N 1.292 119.774 118.700 -0.364 0.000 2.440 280 N HA -0.100 4.406 4.740 -0.390 0.000 0.265 280 N C 1.373 176.632 175.510 -0.418 0.000 1.239 280 N CA 0.783 53.629 53.050 -0.339 0.000 0.909 280 N CB 0.183 38.574 38.487 -0.162 0.000 1.066 280 N HN 0.078 8.300 8.380 -0.263 0.000 0.474 281 K N 4.587 124.645 120.400 -0.570 0.000 2.160 281 K HA -0.463 3.306 4.320 -0.918 0.000 0.206 281 K C 1.424 177.740 176.600 -0.474 0.000 1.047 281 K CA 3.923 59.728 56.287 -0.803 0.000 0.930 281 K CB -0.282 31.561 32.500 -1.094 0.000 0.720 281 K HN 0.587 8.499 8.250 -0.563 0.000 0.450 282 E N -1.512 118.594 120.200 -0.157 0.000 2.058 282 E HA -0.439 4.002 4.350 0.151 0.000 0.194 282 E C 2.133 178.775 176.600 0.070 0.000 0.997 282 E CA 3.014 59.459 56.400 0.076 0.000 0.801 282 E CB -1.144 28.715 29.700 0.265 0.000 0.746 282 E HN 0.431 8.676 8.360 -0.148 0.026 0.450 283 Q N 0.167 119.961 119.800 -0.011 0.000 2.061 283 Q HA -0.299 4.083 4.340 0.070 0.000 0.204 283 Q C 2.471 178.513 176.000 0.069 0.000 0.984 283 Q CA 3.011 58.826 55.803 0.021 0.000 0.846 283 Q CB -0.070 28.644 28.738 -0.040 0.000 0.902 283 Q HN -0.440 7.694 8.270 -0.072 0.093 0.421 284 L N -1.752 119.449 121.223 -0.036 0.000 2.042 284 L HA -0.390 4.048 4.340 0.164 0.000 0.210 284 L C 2.065 179.149 176.870 0.356 0.000 1.076 284 L CA 2.810 57.696 54.840 0.077 0.000 0.749 284 L CB -0.316 41.590 42.059 -0.254 0.000 0.893 284 L HN -0.626 7.424 8.230 -0.184 0.070 0.432 285 A N -1.718 121.283 122.820 0.302 0.000 1.933 285 A HA -0.216 4.605 4.320 0.622 -0.128 0.218 285 A C 2.981 180.766 177.584 0.335 0.000 1.175 285 A CA 2.488 54.800 52.037 0.459 0.000 0.628 285 A CB -0.587 18.720 19.000 0.512 0.000 0.814 285 A HN 0.227 8.372 8.150 0.125 0.080 0.444 286 R N -1.406 119.245 120.500 0.251 0.000 2.091 286 R HA -0.322 4.124 4.340 0.177 0.000 0.238 286 R C 2.061 178.483 176.300 0.202 0.000 1.136 286 R CA 2.668 58.890 56.100 0.202 0.000 0.959 286 R CB -0.250 30.158 30.300 0.180 0.000 0.856 286 R HN 0.141 8.459 8.270 0.224 0.086 0.437 287 A N -3.316 119.643 122.820 0.232 0.000 1.908 287 A HA -0.161 4.277 4.320 0.197 0.000 0.218 287 A C -0.747 176.816 177.584 -0.036 0.000 1.181 287 A CA 1.883 54.007 52.037 0.144 0.000 0.627 287 A CB 0.317 19.431 19.000 0.190 0.000 0.818 287 A HN -0.561 7.745 8.150 0.268 0.005 0.445 288 G N -6.385 102.412 108.800 -0.005 0.000 2.812 288 G HA2 -0.060 3.971 3.960 0.120 0.000 0.232 288 G HA3 -0.060 3.746 3.960 -0.256 0.000 0.232 288 G C -2.037 172.727 174.900 -0.227 0.000 2.283 288 G CA -0.473 44.576 45.100 -0.086 0.000 0.929 288 G HN -0.903 7.382 8.290 0.156 0.098 0.471 289 F N 0.077 120.181 119.950 0.256 0.000 2.588 289 F HA 0.743 5.449 4.527 0.044 -0.152 0.314 289 F C -2.249 173.704 175.800 0.255 0.000 1.069 289 F CA -2.061 56.066 58.000 0.212 0.000 0.931 289 F CB 4.957 44.175 39.000 0.362 0.000 1.260 289 F HN -0.449 7.969 8.300 0.400 0.122 0.465 290 Y N 1.385 121.727 120.300 0.070 0.000 2.399 290 Y HA 0.269 4.788 4.550 -0.051 0.000 0.327 290 Y C -3.017 172.656 175.900 -0.378 0.000 1.111 290 Y CA -0.721 57.271 58.100 -0.181 0.000 1.047 290 Y CB 3.754 41.995 38.460 -0.365 0.000 1.259 290 Y HN 0.192 8.633 8.280 0.268 0.000 0.434 291 A N 7.458 129.427 122.820 -1.418 0.000 2.407 291 A HA 0.218 4.178 4.320 -0.814 -0.128 0.248 291 A C -0.958 175.835 177.584 -1.319 0.000 1.082 291 A CA -0.492 50.796 52.037 -1.249 0.000 0.785 291 A CB 0.960 19.182 19.000 -1.297 0.000 1.020 291 A HN -0.050 7.184 8.150 -1.526 0.000 0.489 292 L N 1.030 121.833 121.223 -0.701 0.000 2.978 292 L HA 0.167 4.204 4.340 -0.504 0.000 0.239 292 L C 1.046 177.733 176.870 -0.305 0.000 1.293 292 L CA -0.807 53.769 54.840 -0.441 0.000 1.085 292 L CB -0.929 41.005 42.059 -0.209 0.000 1.432 292 L HN -0.182 7.746 8.230 -0.503 0.000 0.512 293 G N -0.180 108.397 108.800 -0.370 0.000 3.079 293 G HA2 -0.424 3.358 3.960 -0.297 0.000 0.214 293 G HA3 -0.424 3.416 3.960 -0.199 0.000 0.214 293 G C -0.076 174.688 174.900 -0.226 0.000 1.335 293 G CA 0.004 44.945 45.100 -0.265 0.000 0.822 293 G HN 0.179 8.072 8.290 -0.521 0.084 0.545 294 E N 3.287 123.367 120.200 -0.200 0.000 2.373 294 E HA 0.007 4.257 4.350 -0.167 0.000 0.267 294 E C 0.202 176.688 176.600 -0.191 0.000 1.032 294 E CA 0.242 56.535 56.400 -0.179 0.000 0.889 294 E CB 0.770 30.375 29.700 -0.159 0.000 0.984 294 E HN -0.363 7.803 8.360 -0.198 0.075 0.425 295 G N 1.964 110.629 108.800 -0.225 0.000 2.340 295 G HA2 -0.132 3.773 3.960 -0.092 0.000 0.245 295 G HA3 -0.132 3.533 3.960 -0.492 0.000 0.245 295 G C 0.185 174.845 174.900 -0.400 0.000 1.294 295 G CA -0.096 44.818 45.100 -0.310 0.000 0.896 295 G HN 0.147 8.301 8.290 -0.227 0.000 0.522 296 D N 1.147 121.475 120.400 -0.119 0.000 3.000 296 D HA -0.371 4.661 4.640 0.653 0.000 0.201 296 D C -0.653 175.714 176.300 0.113 0.000 1.381 296 D CA 2.196 56.271 54.000 0.126 0.000 2.051 296 D CB -0.586 40.119 40.800 -0.158 0.000 1.331 296 D HN 0.204 8.758 8.370 0.306 0.000 0.502 297 K N 3.023 123.396 120.400 -0.045 0.000 2.319 297 K HA -0.325 3.959 4.320 -0.059 0.000 0.277 297 K C -1.508 175.049 176.600 -0.071 0.000 1.111 297 K CA 0.901 57.147 56.287 -0.069 0.000 1.093 297 K CB -0.543 31.888 32.500 -0.114 0.000 0.910 297 K HN -0.369 7.727 8.250 -0.119 0.083 0.452 298 V N 5.881 125.796 119.914 0.002 0.000 2.789 298 V HA 0.490 4.633 4.120 -0.141 -0.107 0.311 298 V C -2.723 173.426 176.094 0.091 0.000 1.073 298 V CA -2.834 59.476 62.300 0.016 0.000 0.921 298 V CB 4.339 36.305 31.823 0.239 0.000 1.009 298 V HN -0.073 8.128 8.190 0.017 0.000 0.426 299 K N 5.210 125.683 120.400 0.123 0.000 2.395 299 K HA 0.470 4.943 4.320 0.254 0.000 0.247 299 K C -1.648 175.085 176.600 0.222 0.000 0.973 299 K CA -2.180 54.216 56.287 0.181 0.000 0.828 299 K CB 4.461 36.980 32.500 0.032 0.000 1.272 299 K HN -0.231 8.032 8.250 0.022 0.000 0.439 300 C N -0.085 119.301 119.300 0.143 0.000 2.595 300 C HA 0.367 4.758 4.460 -0.448 -0.201 0.384 300 C C 0.248 175.089 174.990 -0.248 0.000 1.289 300 C CA 1.261 60.160 59.018 -0.198 0.000 2.372 300 C CB 0.110 27.747 27.740 -0.172 0.000 2.593 300 C HN -0.150 8.199 8.230 0.199 0.000 0.639 301 F N 2.784 122.578 119.950 -0.259 0.000 2.411 301 F HA 0.247 4.590 4.527 -0.305 0.000 0.350 301 F C 0.379 175.905 175.800 -0.456 0.000 1.114 301 F CA 0.112 57.850 58.000 -0.437 0.000 1.135 301 F CB 0.558 39.164 39.000 -0.656 0.000 1.120 301 F HN -0.172 7.987 8.300 -0.235 0.000 0.495 302 H N 0.798 119.987 119.070 0.197 0.000 4.856 302 H HA -0.577 4.027 4.556 0.081 0.000 0.059 302 H C 0.542 175.902 175.328 0.053 0.000 0.596 302 H CA 2.511 58.615 56.048 0.093 0.000 0.946 302 H CB -1.736 28.064 29.762 0.063 0.000 0.453 302 H HN 0.570 8.913 8.280 0.106 0.000 0.801 303 C N 1.116 120.517 119.300 0.167 0.000 2.410 303 C HA -0.175 4.354 4.460 0.115 0.000 0.281 303 C C 0.862 175.884 174.990 0.053 0.000 1.318 303 C CA 0.702 59.790 59.018 0.118 0.000 1.776 303 C CB -0.382 27.462 27.740 0.173 0.000 1.942 303 C HN -0.141 8.134 8.230 0.166 0.054 0.508 304 G N 0.614 109.434 108.800 0.034 0.000 2.615 304 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.218 304 G HA3 -0.199 3.735 3.960 -0.043 0.000 0.218 304 G C -1.278 173.626 174.900 0.007 0.000 1.339 304 G CA -0.507 44.588 45.100 -0.007 0.000 0.884 304 G HN -0.376 7.908 8.290 0.035 0.027 0.559 305 G N -1.881 106.893 108.800 -0.042 0.000 3.396 305 G HA2 -0.231 3.694 3.960 -0.059 0.000 0.682 305 G HA3 -0.231 3.777 3.960 0.080 0.000 0.682 305 G C -0.454 174.492 174.900 0.076 0.000 0.924 305 G CA -0.664 44.440 45.100 0.007 0.000 0.770 305 G HN -0.047 8.194 8.290 -0.081 0.000 0.484 306 G N 2.167 110.972 108.800 0.010 0.000 2.400 306 G HA2 0.762 4.766 3.960 0.073 0.000 0.301 306 G HA3 0.762 4.701 3.960 -0.036 0.000 0.301 306 G C -1.342 173.526 174.900 -0.053 0.000 1.154 306 G CA -0.886 44.218 45.100 0.006 0.000 0.852 306 G HN 0.002 8.272 8.290 -0.035 0.000 0.511 307 L N 2.915 124.105 121.223 -0.054 0.000 2.386 307 L HA 0.416 4.569 4.340 -0.311 0.000 0.271 307 L C -1.131 175.573 176.870 -0.276 0.000 0.993 307 L CA -0.646 54.048 54.840 -0.245 0.000 0.819 307 L CB 2.875 44.733 42.059 -0.336 0.000 1.294 307 L HN 0.565 8.806 8.230 0.019 0.000 0.414 308 T N 0.793 115.134 114.554 -0.356 0.000 2.821 308 T HA 0.075 4.319 4.350 -0.177 0.000 0.306 308 T C -1.092 173.449 174.700 -0.266 0.000 1.313 308 T CA -1.296 60.656 62.100 -0.246 0.000 1.012 308 T CB 1.164 69.938 68.868 -0.156 0.000 1.298 308 T HN 0.164 8.159 8.240 -0.408 0.000 0.502 309 D N 4.086 124.407 120.400 -0.132 0.000 2.828 309 D HA -0.384 4.341 4.640 0.011 -0.079 0.241 309 D C -0.634 175.628 176.300 -0.063 0.000 1.142 309 D CA 1.158 55.121 54.000 -0.061 0.000 0.755 309 D CB -1.425 39.335 40.800 -0.066 0.000 1.014 309 D HN 0.064 8.755 8.370 -0.072 -0.364 0.420 310 W N -2.026 119.205 121.300 -0.115 0.000 2.073 310 W HA -0.256 4.389 4.660 -0.026 0.000 0.358 310 W C 0.730 177.260 176.519 0.018 0.000 1.321 310 W CA 0.938 58.233 57.345 -0.082 0.000 1.317 310 W CB 0.629 29.942 29.460 -0.245 0.000 1.226 310 W HN -0.361 7.879 8.180 0.100 0.000 0.622 311 K N 1.418 122.076 120.400 0.430 0.000 2.110 311 K HA 0.292 4.733 4.320 0.201 0.000 0.263 311 K C -1.114 175.646 176.600 0.267 0.000 0.975 311 K CA -2.439 54.014 56.287 0.277 0.000 0.895 311 K CB 1.288 33.928 32.500 0.234 0.000 1.060 311 K HN 0.136 8.780 8.250 0.656 0.000 0.448 312 P HA -0.192 4.310 4.420 0.135 0.000 0.217 312 P C -1.000 176.355 177.300 0.092 0.000 1.148 312 P CA 1.406 64.582 63.100 0.127 0.000 0.828 312 P CB 0.608 32.361 31.700 0.088 0.000 0.783 313 S N -4.186 111.578 115.700 0.107 0.000 2.620 313 S HA 0.270 4.767 4.470 0.046 0.000 0.244 313 S C -1.471 173.202 174.600 0.122 0.000 1.192 313 S CA -0.571 57.676 58.200 0.078 0.000 1.148 313 S CB 0.977 64.207 63.200 0.050 0.000 1.106 313 S HN -0.366 7.992 8.310 0.130 0.030 0.474 314 E N 4.204 124.492 120.200 0.146 0.000 2.407 314 E HA 0.262 4.723 4.350 0.185 0.000 0.279 314 E C -2.482 174.229 176.600 0.184 0.000 1.012 314 E CA -0.676 55.858 56.400 0.223 0.000 0.800 314 E CB 4.907 34.846 29.700 0.397 0.000 1.276 314 E HN -0.440 7.978 8.360 0.097 0.000 0.452 315 D N 1.055 121.601 120.400 0.242 0.000 2.272 315 D HA 0.436 5.147 4.640 0.118 0.000 0.247 315 D C -0.542 176.002 176.300 0.407 0.000 0.990 315 D CA -2.311 51.829 54.000 0.234 0.000 0.931 315 D CB 1.799 42.736 40.800 0.229 0.000 1.195 315 D HN 0.333 8.861 8.370 0.264 0.000 0.477 316 P HA -0.043 4.931 4.420 0.923 0.000 0.218 316 P C 0.789 178.464 177.300 0.625 0.000 1.152 316 P CA 1.688 65.178 63.100 0.649 0.000 0.826 316 P CB 0.437 32.477 31.700 0.566 0.000 0.790 317 W N -1.701 119.804 121.300 0.340 0.000 2.335 317 W HA -0.382 4.479 4.660 0.335 0.000 0.311 317 W C 1.977 178.690 176.519 0.324 0.000 1.213 317 W CA 4.403 61.938 57.345 0.318 0.000 1.274 317 W CB -0.718 28.890 29.460 0.246 0.000 1.148 317 W HN 0.333 8.940 8.180 0.712 0.000 0.498 318 E N -3.298 117.210 120.200 0.512 0.000 2.072 318 E HA -0.312 4.211 4.350 0.289 0.000 0.190 318 E C 2.362 179.092 176.600 0.216 0.000 0.982 318 E CA 3.543 60.130 56.400 0.312 0.000 0.803 318 E CB -0.663 29.179 29.700 0.237 0.000 0.755 318 E HN 0.007 8.681 8.360 0.524 0.000 0.453 319 Q N -0.669 119.334 119.800 0.338 0.000 1.967 319 Q HA -0.310 4.096 4.340 0.110 0.000 0.202 319 Q C 1.875 178.067 176.000 0.320 0.000 0.985 319 Q CA 3.253 59.239 55.803 0.305 0.000 0.839 319 Q CB -0.211 28.820 28.738 0.487 0.000 0.906 319 Q HN -0.594 7.948 8.270 0.452 0.000 0.423 320 H N 0.832 120.134 119.070 0.387 0.000 2.290 320 H HA -0.430 4.375 4.556 0.414 0.000 0.298 320 H C 1.772 177.209 175.328 0.180 0.000 1.087 320 H CA 3.756 59.993 56.048 0.314 0.000 1.291 320 H CB -0.117 29.752 29.762 0.178 0.000 1.369 320 H HN -0.153 8.535 8.280 0.681 0.000 0.492 321 A N -2.089 120.639 122.820 -0.152 0.000 1.978 321 A HA -0.357 3.694 4.320 -0.449 0.000 0.220 321 A C 1.435 178.889 177.584 -0.218 0.000 1.170 321 A CA 2.940 54.852 52.037 -0.207 0.000 0.636 321 A CB -0.903 18.155 19.000 0.096 0.000 0.810 321 A HN -0.268 8.014 8.150 0.220 0.000 0.448 322 K N -1.913 118.317 120.400 -0.283 0.000 2.067 322 K HA -0.195 3.558 4.320 -0.945 0.000 0.203 322 K C 2.281 178.472 176.600 -0.682 0.000 1.048 322 K CA 1.852 57.742 56.287 -0.662 0.000 0.954 322 K CB -0.020 32.099 32.500 -0.635 0.000 0.737 322 K HN -0.648 7.385 8.250 -0.153 0.126 0.444 323 W N -2.490 118.627 121.300 -0.305 0.000 2.379 323 W HA -0.282 4.158 4.660 -0.366 0.000 0.307 323 W C 0.820 177.056 176.519 -0.473 0.000 1.200 323 W CA 1.909 59.069 57.345 -0.307 0.000 1.297 323 W CB 1.030 30.431 29.460 -0.098 0.000 1.140 323 W HN -0.367 7.716 8.180 -0.162 0.000 0.507 324 Y N -5.278 115.073 120.300 0.085 0.000 2.477 324 Y HA 0.266 4.863 4.550 0.079 0.000 0.332 324 Y C -2.577 173.196 175.900 -0.211 0.000 1.151 324 Y CA -1.942 56.169 58.100 0.017 0.000 1.349 324 Y CB 1.566 40.078 38.460 0.085 0.000 1.108 324 Y HN 0.060 8.380 8.280 0.066 0.000 0.567 325 P HA 0.069 4.200 4.420 -0.482 0.000 0.263 325 P C -0.777 176.564 177.300 0.068 0.000 1.601 325 P CA -0.045 62.976 63.100 -0.131 0.000 1.161 325 P CB -1.156 30.555 31.700 0.018 0.000 1.730 326 G N 1.346 110.245 108.800 0.165 0.000 5.021 326 G HA2 0.125 4.171 3.960 0.143 0.000 0.254 326 G HA3 0.125 4.187 3.960 0.170 0.000 0.254 326 G C -1.632 173.401 174.900 0.220 0.000 0.932 326 G CA -0.073 45.140 45.100 0.188 0.000 0.743 326 G HN -0.131 8.288 8.290 0.214 0.000 0.441 327 C N -0.035 119.429 119.300 0.274 0.000 2.466 327 C HA 0.107 4.637 4.460 0.117 0.000 0.379 327 C C 1.023 176.063 174.990 0.083 0.000 1.251 327 C CA 0.360 59.442 59.018 0.107 0.000 2.263 327 C CB 1.497 29.124 27.740 -0.188 0.000 2.511 327 C HN -0.414 8.054 8.230 0.396 0.000 0.573 328 K N 4.524 124.987 120.400 0.106 0.000 1.967 328 K HA -0.300 4.067 4.320 0.078 0.000 0.212 328 K C 1.325 177.991 176.600 0.111 0.000 1.044 328 K CA 3.665 60.015 56.287 0.105 0.000 0.942 328 K CB -0.005 32.565 32.500 0.116 0.000 0.726 328 K HN 0.486 8.822 8.250 0.143 0.000 0.440 329 Y N -0.488 119.809 120.300 -0.004 0.000 2.242 329 Y HA -0.285 4.273 4.550 0.013 0.000 0.291 329 Y C 1.902 177.773 175.900 -0.049 0.000 1.137 329 Y CA 3.178 61.273 58.100 -0.009 0.000 1.181 329 Y CB -0.393 38.067 38.460 -0.000 0.000 0.989 329 Y HN -0.229 8.201 8.280 0.251 0.000 0.527 330 L N -1.193 119.969 121.223 -0.101 0.000 2.012 330 L HA -0.284 3.709 4.340 -0.578 0.000 0.210 330 L C 1.960 178.659 176.870 -0.285 0.000 1.073 330 L CA 3.083 57.676 54.840 -0.412 0.000 0.748 330 L CB -0.820 40.929 42.059 -0.517 0.000 0.891 330 L HN -0.188 8.022 8.230 -0.033 0.000 0.431 331 L N -2.627 118.543 121.223 -0.089 0.000 1.976 331 L HA -0.386 3.977 4.340 0.038 0.000 0.209 331 L C 2.488 179.360 176.870 0.004 0.000 1.071 331 L CA 3.050 57.893 54.840 0.005 0.000 0.746 331 L CB -0.817 41.270 42.059 0.047 0.000 0.890 331 L HN -0.666 7.536 8.230 -0.046 0.000 0.432 332 E N -4.023 116.154 120.200 -0.039 0.000 2.209 332 E HA -0.316 4.024 4.350 -0.015 0.000 0.196 332 E C 2.897 179.431 176.600 -0.110 0.000 0.993 332 E CA 2.274 58.639 56.400 -0.060 0.000 0.819 332 E CB -0.521 29.140 29.700 -0.066 0.000 0.745 332 E HN -0.648 7.690 8.360 -0.036 0.000 0.477 333 Q N -0.578 119.118 119.800 -0.174 0.000 1.948 333 Q HA -0.216 3.948 4.340 -0.293 0.000 0.205 333 Q C 1.511 177.517 176.000 0.011 0.000 0.992 333 Q CA 2.692 58.418 55.803 -0.128 0.000 0.849 333 Q CB 0.322 29.113 28.738 0.089 0.000 0.918 333 Q HN -0.152 7.870 8.270 -0.202 0.126 0.421 334 K N -3.605 116.885 120.400 0.151 0.000 2.576 334 K HA 0.278 4.581 4.320 -0.028 0.000 0.209 334 K C -0.592 176.098 176.600 0.149 0.000 1.049 334 K CA -1.363 54.956 56.287 0.052 0.000 1.140 334 K CB 0.029 32.385 32.500 -0.239 0.000 0.871 334 K HN -0.516 7.930 8.250 0.327 0.000 0.479 335 G N -0.356 108.508 108.800 0.107 0.000 2.901 335 G HA2 -0.490 3.518 3.960 0.067 0.000 0.654 335 G HA3 -0.490 3.524 3.960 0.090 0.000 0.654 335 G C 0.004 174.990 174.900 0.143 0.000 1.550 335 G CA -0.350 44.810 45.100 0.101 0.000 0.978 335 G HN -0.838 7.303 8.290 0.065 0.188 0.566 336 Q N 1.418 121.279 119.800 0.102 0.000 2.181 336 Q HA -0.489 3.918 4.340 0.111 0.000 0.205 336 Q C 2.019 178.086 176.000 0.112 0.000 0.980 336 Q CA 3.600 59.463 55.803 0.100 0.000 0.862 336 Q CB 0.013 28.789 28.738 0.064 0.000 0.905 336 Q HN 0.560 8.876 8.270 0.076 0.000 0.429 337 E N 0.090 120.356 120.200 0.110 0.000 2.038 337 E HA -0.311 4.075 4.350 0.060 0.000 0.195 337 E C 1.817 178.494 176.600 0.129 0.000 1.000 337 E CA 3.194 59.652 56.400 0.096 0.000 0.803 337 E CB -0.701 29.051 29.700 0.086 0.000 0.750 337 E HN 0.169 8.567 8.360 0.102 0.023 0.448 338 Y N -0.165 120.184 120.300 0.081 0.000 2.181 338 Y HA -0.337 4.259 4.550 0.076 0.000 0.288 338 Y C 1.950 177.938 175.900 0.147 0.000 1.146 338 Y CA 3.570 61.738 58.100 0.113 0.000 1.164 338 Y CB 0.186 38.741 38.460 0.158 0.000 0.982 338 Y HN -0.749 7.716 8.280 0.309 0.000 0.515 339 I N -2.210 118.576 120.570 0.361 0.000 2.208 339 I HA -0.573 3.807 4.170 0.351 0.000 0.245 339 I C 1.980 178.171 176.117 0.124 0.000 1.097 339 I CA 2.253 63.709 61.300 0.260 0.000 1.363 339 I CB -1.437 36.683 38.000 0.201 0.000 1.051 339 I HN -0.488 7.946 8.210 0.373 0.000 0.413 340 N N -0.496 118.251 118.700 0.078 0.000 2.142 340 N HA -0.337 4.422 4.740 0.031 0.000 0.186 340 N C 1.221 176.724 175.510 -0.010 0.000 1.023 340 N CA 3.305 56.371 53.050 0.027 0.000 0.852 340 N CB 0.333 38.825 38.487 0.008 0.000 0.998 340 N HN 0.127 8.564 8.380 0.096 0.000 0.424 341 N N -1.357 117.309 118.700 -0.058 0.000 2.104 341 N HA -0.274 4.412 4.740 -0.091 0.000 0.190 341 N C 1.763 177.188 175.510 -0.142 0.000 1.024 341 N CA 2.760 55.736 53.050 -0.124 0.000 0.853 341 N CB 0.357 38.725 38.487 -0.200 0.000 1.008 341 N HN -0.481 7.874 8.380 -0.042 0.000 0.424 342 I N -2.360 118.109 120.570 -0.167 0.000 2.226 342 I HA -0.378 3.694 4.170 -0.164 0.000 0.245 342 I C 1.454 177.564 176.117 -0.012 0.000 1.100 342 I CA 2.928 64.162 61.300 -0.110 0.000 1.374 342 I CB -0.312 37.674 38.000 -0.023 0.000 1.057 342 I HN -0.247 7.849 8.210 -0.191 0.000 0.413 343 H N 0.445 119.465 119.070 -0.082 0.000 2.799 343 H HA -0.090 4.400 4.556 -0.109 0.000 0.225 343 H C -1.150 174.125 175.328 -0.088 0.000 1.904 343 H CA 0.213 56.206 56.048 -0.091 0.000 1.344 343 H CB -1.259 28.454 29.762 -0.082 0.000 1.744 343 H HN -0.547 7.799 8.280 0.110 0.000 0.542 344 L N 1.525 122.798 121.223 0.084 0.000 1.645 344 L HA 0.204 4.562 4.340 0.030 0.000 0.177 344 L C -1.561 175.305 176.870 -0.008 0.000 1.266 344 L CA 0.802 55.653 54.840 0.017 0.000 1.244 344 L CB 2.676 44.718 42.059 -0.029 0.000 2.568 344 L HN -0.290 7.901 8.230 0.037 0.061 0.502 345 T N -2.325 112.205 114.554 -0.040 0.000 2.812 345 T HA 0.269 4.619 4.350 0.000 0.000 0.294 345 T C -1.824 172.835 174.700 -0.067 0.000 1.159 345 T CA -0.961 61.111 62.100 -0.046 0.000 1.008 345 T CB 2.099 70.916 68.868 -0.085 0.000 1.289 345 T HN -0.678 7.527 8.240 -0.058 0.000 0.514 346 H N -0.770 118.279 119.070 -0.034 0.000 2.948 346 H HA 0.022 4.559 4.556 -0.032 0.000 0.351 346 H C -0.627 174.682 175.328 -0.031 0.000 1.079 346 H CA 0.833 56.864 56.048 -0.030 0.000 1.407 346 H CB 0.369 30.119 29.762 -0.020 0.000 1.373 346 H HN 0.225 8.594 8.280 0.149 0.000 0.605 347 S N 2.260 117.949 115.700 -0.018 0.000 2.732 347 S HA -0.032 4.315 4.470 -0.204 0.000 0.293 347 S C -1.454 173.191 174.600 0.075 0.000 1.159 347 S CA -0.616 57.544 58.200 -0.067 0.000 0.847 347 S CB 1.254 64.400 63.200 -0.089 0.000 1.169 347 S HN -0.084 8.287 8.310 0.100 0.000 0.501 348 L N -0.091 121.162 121.223 0.050 0.000 0.656 348 L HA -0.390 4.146 4.340 0.054 -0.164 0.356 348 L C -1.103 175.820 176.870 0.089 0.000 1.039 348 L CA 1.210 56.092 54.840 0.071 0.000 1.223 348 L CB -0.195 41.913 42.059 0.082 0.000 0.108 348 L HN 0.593 8.877 8.230 0.008 -0.050 0.102 349 E N -1.963 118.275 120.200 0.062 0.000 2.689 349 E HA -0.401 3.970 4.350 0.035 0.000 0.165 349 E C -1.864 174.771 176.600 0.058 0.000 1.609 349 E CA 0.862 57.294 56.400 0.054 0.000 0.674 349 E CB -0.004 29.730 29.700 0.057 0.000 1.103 349 E HN 0.095 8.483 8.360 0.048 0.000 0.373 350 E N 1.659 121.883 120.200 0.039 0.000 2.367 350 E HA 0.143 4.520 4.350 0.045 0.000 0.273 350 E C -1.370 175.242 176.600 0.019 0.000 0.903 350 E CA -0.741 55.680 56.400 0.035 0.000 0.764 350 E CB 1.405 31.125 29.700 0.033 0.000 1.252 350 E HN -0.161 8.216 8.360 0.029 0.000 0.446 351 C N 1.260 120.570 119.300 0.016 0.000 2.738 351 C HA -0.184 4.281 4.460 0.008 0.000 0.270 351 C C -0.897 174.096 174.990 0.005 0.000 1.049 351 C CA 0.310 59.333 59.018 0.009 0.000 2.684 351 C CB 0.069 27.812 27.740 0.005 0.000 1.606 351 C HN 0.103 8.345 8.230 0.021 0.000 0.416 352 L N 0.075 121.301 121.223 0.005 0.000 2.574 352 L HA 0.426 4.766 4.340 0.000 0.000 0.258 352 L C -0.371 176.499 176.870 0.000 0.000 1.520 352 L CA -0.534 54.307 54.840 0.002 0.000 0.775 352 L CB -0.670 41.390 42.059 0.002 0.000 1.028 352 L HN -0.265 7.969 8.230 0.006 0.000 0.516 353 V N -1.087 118.827 119.914 -0.000 0.000 0.582 353 V HA -0.395 3.724 4.120 -0.001 0.000 0.092 353 V C 0.330 176.423 176.094 -0.000 0.000 1.874 353 V CA 2.588 64.887 62.300 -0.001 0.000 3.418 353 V CB -1.057 30.765 31.823 -0.002 0.000 0.707 353 V HN 0.297 8.487 8.190 -0.000 0.000 0.732 354 R N 0.966 121.466 120.500 -0.001 0.000 2.416 354 R HA 0.109 4.450 4.340 0.001 0.000 0.247 354 R C -1.403 174.895 176.300 -0.002 0.000 1.178 354 R CA 0.136 56.235 56.100 -0.001 0.000 1.278 354 R CB 0.023 30.322 30.300 -0.001 0.000 1.386 354 R HN 0.150 8.366 8.270 -0.001 0.052 0.765 355 T N -2.506 112.047 114.554 -0.002 0.000 3.996 355 T HA -0.452 3.895 4.350 -0.004 0.000 0.348 355 T C -0.024 174.671 174.700 -0.008 0.000 0.757 355 T CA 0.666 62.763 62.100 -0.005 0.000 1.898 355 T CB -1.632 67.231 68.868 -0.008 0.000 1.861 355 T HN -0.227 8.014 8.240 0.001 0.000 0.821 356 T N 0.000 114.550 114.554 -0.006 0.000 3.816 356 T HA 0.000 4.347 4.350 -0.005 0.000 0.228 356 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 356 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 356 T HN 0.000 8.225 8.240 -0.004 0.013 0.658