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 3pcb_1_O DATA FIRST_RESID 301 DATA SEQUENCE PAQDNSRFVI RDRNWHPKAL TPDYKTSIAR SPRQALVSIP QSISETTGPN DATA SEQUENCE FSHLGFGAHD HDLLLNFXXX GLPIGERIIV AGRVVDQYGK PVPNTLVEMW DATA SEQUENCE QANAGGRYRH KNDRYLAPLD PNFGGVGRCL TDSDGYYSFR TIKPGPYPWR DATA SEQUENCE NGPNDWRPAH IHFGISGPSI ATKLITQLYF EGDPLIPMCP IVKSIANPEA DATA SEQUENCE VQQLIAKLDM NNANPMDCLA YRFDIVLRGQ RKTHFE 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 301 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 301 P C 0.000 177.300 177.300 -0.001 0.000 1.155 301 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 301 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 302 A N -0.307 122.511 122.820 -0.002 0.000 2.406 302 A HA 0.613 4.934 4.320 0.001 0.000 0.243 302 A C 0.274 177.862 177.584 0.007 0.000 1.082 302 A CA 0.815 52.854 52.037 0.003 0.000 0.786 302 A CB -0.336 18.665 19.000 0.002 0.000 1.029 302 A HN 1.034 9.184 8.150 -0.000 0.000 0.495 303 Q N 0.251 120.058 119.800 0.012 0.000 2.372 303 Q HA 0.508 4.849 4.340 0.001 0.000 0.273 303 Q C -0.938 175.072 176.000 0.017 0.000 1.078 303 Q CA -0.309 55.499 55.803 0.010 0.000 0.806 303 Q CB 1.314 30.053 28.738 0.002 0.000 1.332 303 Q HN 0.881 9.151 8.270 -0.000 0.000 0.435 304 D N 0.954 121.363 120.400 0.014 0.000 2.455 304 D HA 0.123 4.764 4.640 0.001 0.000 0.234 304 D C 0.404 176.701 176.300 -0.004 0.000 1.224 304 D CA 0.380 54.391 54.000 0.018 0.000 0.999 304 D CB 0.167 40.977 40.800 0.018 0.000 1.072 304 D HN 0.645 9.015 8.370 -0.000 0.000 0.514 305 N N 0.469 119.162 118.700 -0.012 0.000 2.257 305 N HA 0.077 4.818 4.740 0.001 0.000 0.200 305 N C -0.285 175.170 175.510 -0.092 0.000 1.163 305 N CA -0.373 52.649 53.050 -0.047 0.000 0.891 305 N CB 0.624 39.088 38.487 -0.040 0.000 1.067 305 N HN 0.005 8.385 8.380 -0.000 0.000 0.497 306 S N 0.023 115.665 115.700 -0.097 0.000 2.621 306 S HA 0.612 5.083 4.470 0.001 0.000 0.302 306 S C -0.683 173.767 174.600 -0.250 0.000 1.093 306 S CA -0.796 57.257 58.200 -0.244 0.000 1.017 306 S CB 1.613 64.588 63.200 -0.377 0.000 1.077 306 S HN 0.078 8.388 8.310 -0.000 0.000 0.517 307 R N 0.749 120.997 120.500 -0.421 0.000 2.686 307 R HA 0.523 4.864 4.340 0.001 0.000 0.283 307 R C -1.766 174.233 176.300 -0.501 0.000 0.978 307 R CA -0.461 55.480 56.100 -0.265 0.000 0.897 307 R CB 1.136 31.335 30.300 -0.169 0.000 1.192 307 R HN 0.540 8.810 8.270 -0.000 0.000 0.457 308 F N 0.670 120.637 119.950 0.028 0.000 2.482 308 F HA 0.320 4.848 4.527 0.001 0.000 0.331 308 F C 0.631 176.458 175.800 0.045 0.000 1.115 308 F CA -1.053 56.976 58.000 0.049 0.000 0.955 308 F CB 1.632 40.656 39.000 0.041 0.000 1.136 308 F HN 0.026 8.326 8.300 -0.000 0.000 0.452 309 V N 5.028 125.055 119.914 0.188 0.000 2.644 309 V HA -0.118 4.003 4.120 0.001 0.000 0.305 309 V C 0.674 176.834 176.094 0.110 0.000 1.053 309 V CA -0.169 62.192 62.300 0.102 0.000 1.186 309 V CB -0.463 31.368 31.823 0.015 0.000 0.895 309 V HN 0.346 8.536 8.190 -0.000 0.000 0.490 310 I N 5.262 125.881 120.570 0.082 0.000 2.775 310 I HA 0.073 4.244 4.170 0.001 0.000 0.290 310 I C 1.113 177.275 176.117 0.074 0.000 1.203 310 I CA 0.412 61.758 61.300 0.078 0.000 1.433 310 I CB -0.318 37.719 38.000 0.062 0.000 1.354 310 I HN 0.652 8.862 8.210 -0.000 0.000 0.579 311 R N 3.289 123.845 120.500 0.093 0.000 2.641 311 R HA 0.062 4.403 4.340 0.001 0.000 0.269 311 R C -0.132 176.253 176.300 0.143 0.000 1.074 311 R CA -0.414 55.768 56.100 0.138 0.000 1.133 311 R CB 0.412 30.801 30.300 0.148 0.000 1.029 311 R HN 0.465 8.735 8.270 -0.000 0.000 0.488 312 D N 1.758 122.271 120.400 0.188 0.000 2.467 312 D HA 0.085 4.726 4.640 0.001 0.000 0.220 312 D C 0.346 176.821 176.300 0.293 0.000 1.103 312 D CA -0.218 53.883 54.000 0.169 0.000 0.886 312 D CB 0.634 41.479 40.800 0.075 0.000 1.025 312 D HN 0.333 8.703 8.370 -0.000 0.000 0.514 313 R N 2.372 123.004 120.500 0.221 0.000 2.323 313 R HA 0.082 4.423 4.340 0.001 0.000 0.198 313 R C 0.773 177.183 176.300 0.185 0.000 0.988 313 R CA 0.235 56.464 56.100 0.216 0.000 1.041 313 R CB 0.309 30.691 30.300 0.138 0.000 0.926 313 R HN 0.322 8.592 8.270 -0.000 0.000 0.476 314 N N -0.716 118.094 118.700 0.183 0.000 2.322 314 N HA -0.087 4.654 4.740 0.001 0.000 0.181 314 N C 0.860 176.482 175.510 0.185 0.000 1.088 314 N CA 0.346 53.486 53.050 0.150 0.000 0.885 314 N CB 0.215 38.774 38.487 0.120 0.000 1.013 314 N HN 0.373 8.753 8.380 -0.000 0.000 0.472 315 W N 1.902 123.197 121.300 -0.010 0.000 2.480 315 W HA 0.017 4.676 4.660 -0.001 0.000 0.299 315 W C 0.354 176.799 176.519 -0.123 0.000 1.187 315 W CA 0.749 58.037 57.345 -0.095 0.000 1.347 315 W CB -0.142 29.219 29.460 -0.165 0.000 1.121 315 W HN -0.011 8.169 8.180 -0.000 0.000 0.533 316 H N 1.343 120.492 119.070 0.131 0.000 2.671 316 H HA 0.116 4.673 4.556 0.002 0.000 0.372 316 H C -1.759 173.565 175.328 -0.007 0.000 1.227 316 H CA -0.935 55.131 56.048 0.030 0.000 1.426 316 H CB -0.058 29.763 29.762 0.098 0.000 1.480 316 H HN -0.122 8.158 8.280 -0.000 0.000 0.611 317 P HA 0.022 4.442 4.420 -0.000 0.000 0.271 317 P C 0.097 177.456 177.300 0.098 0.000 1.218 317 P CA -0.284 62.860 63.100 0.073 0.000 0.780 317 P CB 1.162 32.908 31.700 0.076 0.000 0.901 318 K N 1.275 121.719 120.400 0.074 0.000 2.117 318 K HA 0.315 4.636 4.320 0.001 0.000 0.240 318 K C 1.507 178.146 176.600 0.064 0.000 1.031 318 K CA -0.369 55.959 56.287 0.067 0.000 0.909 318 K CB 0.328 32.860 32.500 0.052 0.000 1.097 318 K HN 0.430 8.680 8.250 -0.000 0.000 0.492 319 A N 0.853 123.703 122.820 0.049 0.000 1.897 319 A HA -0.071 4.250 4.320 0.001 0.000 0.215 319 A C 0.806 178.407 177.584 0.028 0.000 1.181 319 A CA 0.887 52.947 52.037 0.037 0.000 0.620 319 A CB -0.138 18.876 19.000 0.023 0.000 0.821 319 A HN 0.413 8.563 8.150 -0.000 0.000 0.443 320 L N 1.923 123.162 121.223 0.026 0.000 2.259 320 L HA 0.459 4.800 4.340 0.001 0.000 0.288 320 L C -0.097 176.793 176.870 0.034 0.000 1.051 320 L CA 0.635 55.484 54.840 0.017 0.000 0.824 320 L CB 0.838 42.903 42.059 0.009 0.000 1.206 320 L HN 0.213 8.443 8.230 -0.000 0.000 0.429 321 T N 2.823 117.405 114.554 0.047 0.000 3.226 321 T HA 0.387 4.738 4.350 0.001 0.000 0.378 321 T C -1.869 172.882 174.700 0.085 0.000 1.380 321 T CA -1.457 60.690 62.100 0.079 0.000 1.396 321 T CB 0.770 69.711 68.868 0.121 0.000 1.044 321 T HN 0.419 8.659 8.240 -0.000 0.000 0.586 322 P HA -0.164 4.256 4.420 -0.000 0.000 0.218 322 P C 0.903 178.237 177.300 0.056 0.000 1.147 322 P CA 1.217 64.338 63.100 0.035 0.000 0.827 322 P CB 0.187 31.896 31.700 0.015 0.000 0.778 323 D N -2.203 118.245 120.400 0.079 0.000 2.219 323 D HA -0.141 4.500 4.640 0.001 0.000 0.205 323 D C 0.621 177.017 176.300 0.160 0.000 0.970 323 D CA 0.843 54.892 54.000 0.081 0.000 0.851 323 D CB -0.684 40.152 40.800 0.061 0.000 0.943 323 D HN 0.222 8.592 8.370 -0.000 0.000 0.488 324 Y N 2.517 122.849 120.300 0.054 0.000 2.691 324 Y HA 0.157 4.708 4.550 0.002 0.000 0.338 324 Y C 1.064 177.008 175.900 0.074 0.000 1.148 324 Y CA -1.022 57.149 58.100 0.119 0.000 1.430 324 Y CB -0.461 38.085 38.460 0.143 0.000 1.303 324 Y HN -0.220 8.060 8.280 -0.000 0.000 0.499 325 K N 1.250 121.741 120.400 0.152 0.000 2.077 325 K HA -0.221 4.100 4.320 0.001 0.000 0.213 325 K C 1.602 178.136 176.600 -0.110 0.000 1.051 325 K CA 2.480 58.765 56.287 -0.003 0.000 0.929 325 K CB -0.146 32.345 32.500 -0.016 0.000 0.715 325 K HN 0.522 8.772 8.250 -0.000 0.000 0.451 326 T N 0.666 115.096 114.554 -0.207 0.000 2.881 326 T HA -0.145 4.206 4.350 0.001 0.000 0.270 326 T C 2.052 176.545 174.700 -0.345 0.000 1.068 326 T CA 1.470 63.412 62.100 -0.263 0.000 1.131 326 T CB -0.315 68.423 68.868 -0.217 0.000 0.871 326 T HN 0.413 8.653 8.240 -0.000 0.000 0.479 327 S N 1.497 116.888 115.700 -0.515 0.000 2.419 327 S HA -0.059 4.412 4.470 0.001 0.000 0.233 327 S C 1.991 176.503 174.600 -0.146 0.000 1.016 327 S CA 0.479 58.488 58.200 -0.319 0.000 0.974 327 S CB -0.836 62.207 63.200 -0.262 0.000 0.786 327 S HN 0.533 8.843 8.310 -0.000 0.000 0.492 328 I N 2.184 122.683 120.570 -0.119 0.000 2.091 328 I HA -0.203 3.968 4.170 0.001 0.000 0.239 328 I C 2.976 179.061 176.117 -0.054 0.000 1.061 328 I CA 1.684 62.946 61.300 -0.065 0.000 1.317 328 I CB -0.603 37.368 38.000 -0.048 0.000 1.031 328 I HN 0.486 8.696 8.210 -0.000 0.000 0.401 329 A N -0.013 122.771 122.820 -0.060 0.000 2.178 329 A HA 0.058 4.379 4.320 0.001 0.000 0.211 329 A C 1.867 179.424 177.584 -0.044 0.000 1.157 329 A CA 0.417 52.427 52.037 -0.044 0.000 0.780 329 A CB -0.238 18.740 19.000 -0.037 0.000 0.828 329 A HN 0.342 8.492 8.150 -0.000 0.000 0.476 330 R N 0.585 121.049 120.500 -0.061 0.000 2.609 330 R HA 0.162 4.503 4.340 0.001 0.000 0.326 330 R C -0.540 175.736 176.300 -0.040 0.000 1.090 330 R CA 0.389 56.459 56.100 -0.051 0.000 1.072 330 R CB 0.305 30.566 30.300 -0.065 0.000 1.330 330 R HN 0.487 8.757 8.270 -0.000 0.000 0.572 331 S N 0.251 115.931 115.700 -0.033 0.000 2.500 331 S HA 0.577 5.048 4.470 0.001 0.000 0.301 331 S C -2.496 172.098 174.600 -0.010 0.000 1.092 331 S CA -1.724 56.466 58.200 -0.017 0.000 1.030 331 S CB 2.126 65.315 63.200 -0.017 0.000 1.031 331 S HN -0.099 8.211 8.310 -0.000 0.000 0.483 332 P HA 0.351 4.771 4.420 -0.000 0.000 0.269 332 P C 0.175 177.476 177.300 0.002 0.000 1.215 332 P CA -0.568 62.532 63.100 0.000 0.000 0.780 332 P CB 0.557 32.260 31.700 0.004 0.000 0.898 333 R N -0.233 120.267 120.500 0.002 0.000 2.254 333 R HA 0.142 4.483 4.340 0.001 0.000 0.193 333 R C 0.578 176.881 176.300 0.006 0.000 0.929 333 R CA 0.385 56.486 56.100 0.003 0.000 1.038 333 R CB 0.195 30.496 30.300 0.001 0.000 1.009 333 R HN 0.571 8.841 8.270 -0.000 0.000 0.512 334 Q N 0.415 120.218 119.800 0.006 0.000 2.260 334 Q HA 0.443 4.784 4.340 0.001 0.000 0.242 334 Q C -0.315 175.691 176.000 0.010 0.000 0.932 334 Q CA -0.345 55.463 55.803 0.008 0.000 0.891 334 Q CB 1.446 30.188 28.738 0.007 0.000 1.222 334 Q HN 0.050 8.320 8.270 -0.000 0.000 0.453 335 A N 2.048 124.875 122.820 0.012 0.000 2.407 335 A HA 0.336 4.657 4.320 0.001 0.000 0.248 335 A C 0.106 177.699 177.584 0.015 0.000 1.082 335 A CA -0.432 51.614 52.037 0.015 0.000 0.785 335 A CB 0.107 19.117 19.000 0.016 0.000 1.020 335 A HN 0.684 8.834 8.150 -0.000 0.000 0.489 336 L N 1.606 122.840 121.223 0.017 0.000 2.461 336 L HA 0.144 4.485 4.340 0.001 0.000 0.272 336 L C -0.157 176.723 176.870 0.018 0.000 1.197 336 L CA -0.356 54.494 54.840 0.017 0.000 0.836 336 L CB 0.491 42.561 42.059 0.019 0.000 1.105 336 L HN 0.406 8.636 8.230 -0.000 0.000 0.477 337 V N 2.438 122.362 119.914 0.016 0.000 2.406 337 V HA 0.122 4.243 4.120 0.001 0.000 0.272 337 V C 0.434 176.540 176.094 0.020 0.000 1.043 337 V CA -0.278 62.032 62.300 0.017 0.000 0.915 337 V CB 1.242 33.074 31.823 0.015 0.000 0.988 337 V HN 0.788 8.978 8.190 -0.000 0.000 0.466 338 S N 6.396 122.110 115.700 0.022 0.000 2.565 338 S HA 0.661 5.132 4.470 0.001 0.000 0.276 338 S C -0.128 174.487 174.600 0.025 0.000 1.326 338 S CA -0.299 57.917 58.200 0.026 0.000 1.045 338 S CB 0.486 63.703 63.200 0.029 0.000 0.918 338 S HN 0.693 9.003 8.310 -0.000 0.000 0.505 339 I N -0.011 120.576 120.570 0.028 0.000 2.769 339 I HA 0.650 4.821 4.170 0.001 0.000 0.298 339 I C -2.694 173.444 176.117 0.034 0.000 1.128 339 I CA -2.670 58.647 61.300 0.028 0.000 1.031 339 I CB 1.457 39.471 38.000 0.024 0.000 1.235 339 I HN 0.333 8.543 8.210 -0.000 0.000 0.423 340 P HA 0.221 4.641 4.420 -0.000 0.000 0.272 340 P C -1.138 176.187 177.300 0.043 0.000 1.223 340 P CA -0.117 63.006 63.100 0.038 0.000 0.784 340 P CB 0.582 32.303 31.700 0.034 0.000 0.923 341 Q N 0.578 120.410 119.800 0.053 0.000 2.314 341 Q HA 0.405 4.746 4.340 0.001 0.000 0.258 341 Q C 0.371 176.403 176.000 0.054 0.000 0.954 341 Q CA -0.050 55.793 55.803 0.067 0.000 0.890 341 Q CB 0.771 29.570 28.738 0.102 0.000 1.210 341 Q HN 0.642 8.912 8.270 -0.000 0.000 0.410 342 S N 1.165 116.897 115.700 0.053 0.000 2.740 342 S HA 0.375 4.846 4.470 0.001 0.000 0.300 342 S C 0.593 175.222 174.600 0.048 0.000 1.147 342 S CA -0.890 57.335 58.200 0.041 0.000 0.871 342 S CB 0.570 63.788 63.200 0.031 0.000 1.173 342 S HN 0.763 9.073 8.310 -0.000 0.000 0.510 343 I N 1.322 121.914 120.570 0.037 0.000 2.423 343 I HA -0.145 4.026 4.170 0.001 0.000 0.254 343 I C 2.006 178.143 176.117 0.033 0.000 1.151 343 I CA 1.592 62.914 61.300 0.037 0.000 1.421 343 I CB -0.343 37.671 38.000 0.024 0.000 1.079 343 I HN 0.718 8.928 8.210 -0.000 0.000 0.431 344 S N 0.552 116.268 115.700 0.026 0.000 2.368 344 S HA -0.190 4.281 4.470 0.001 0.000 0.225 344 S C 1.695 176.306 174.600 0.017 0.000 1.030 344 S CA 1.787 59.998 58.200 0.018 0.000 0.999 344 S CB -0.190 63.019 63.200 0.015 0.000 0.844 344 S HN 0.547 8.857 8.310 -0.000 0.000 0.459 345 E N 0.212 120.429 120.200 0.028 0.000 2.276 345 E HA 0.025 4.376 4.350 0.001 0.000 0.193 345 E C 2.024 178.642 176.600 0.030 0.000 0.983 345 E CA 1.005 57.418 56.400 0.021 0.000 0.861 345 E CB -0.166 29.555 29.700 0.036 0.000 0.817 345 E HN 0.605 8.965 8.360 -0.000 0.000 0.485 346 T N -1.731 112.882 114.554 0.099 0.000 3.144 346 T HA 0.093 4.444 4.350 0.001 0.000 0.249 346 T C 0.744 175.550 174.700 0.177 0.000 1.089 346 T CA 0.233 62.469 62.100 0.226 0.000 0.989 346 T CB -0.364 68.680 68.868 0.293 0.000 0.992 346 T HN 0.121 8.361 8.240 -0.000 0.000 0.540 347 T N -2.198 112.394 114.554 0.064 0.000 2.907 347 T HA 0.816 5.167 4.350 0.001 0.000 0.290 347 T C -0.098 174.595 174.700 -0.012 0.000 1.066 347 T CA -0.487 61.635 62.100 0.038 0.000 1.012 347 T CB 1.971 70.855 68.868 0.027 0.000 1.184 347 T HN 0.540 8.780 8.240 -0.000 0.000 0.522 348 G N 0.440 109.224 108.800 -0.027 0.000 2.506 348 G HA2 0.640 4.601 3.960 0.001 0.000 0.292 348 G HA3 0.640 4.601 3.960 0.001 0.000 0.292 348 G C -3.131 171.704 174.900 -0.108 0.000 1.425 348 G CA -1.081 43.988 45.100 -0.053 0.000 0.788 348 G HN 0.803 9.093 8.290 -0.000 0.000 0.490 349 P HA 0.223 4.643 4.420 -0.000 0.000 0.271 349 P C -1.062 175.902 177.300 -0.560 0.000 1.218 349 P CA -0.375 62.465 63.100 -0.433 0.000 0.780 349 P CB 1.138 32.447 31.700 -0.651 0.000 0.901 350 N N 1.921 120.292 118.700 -0.548 0.000 2.417 350 N HA 0.181 4.922 4.740 0.001 0.000 0.274 350 N C -0.635 174.612 175.510 -0.438 0.000 0.987 350 N CA -0.515 52.321 53.050 -0.355 0.000 0.912 350 N CB 0.400 38.790 38.487 -0.162 0.000 1.177 350 N HN 0.160 8.540 8.380 -0.000 0.000 0.490 351 F N 1.454 121.418 119.950 0.024 0.000 2.660 351 F HA 0.229 4.756 4.527 0.001 0.000 0.297 351 F C 2.020 177.842 175.800 0.037 0.000 1.132 351 F CA -0.342 57.686 58.000 0.046 0.000 1.372 351 F CB 0.161 39.237 39.000 0.128 0.000 1.003 351 F HN 0.402 8.702 8.300 -0.000 0.000 0.524 352 S N -0.653 115.037 115.700 -0.016 0.000 2.383 352 S HA -0.238 4.233 4.470 0.001 0.000 0.229 352 S C 1.319 175.711 174.600 -0.346 0.000 1.030 352 S CA 1.566 59.649 58.200 -0.195 0.000 1.002 352 S CB -0.489 62.492 63.200 -0.366 0.000 0.829 352 S HN 0.594 8.904 8.310 -0.000 0.000 0.467 353 H N -0.458 118.684 119.070 0.120 0.000 2.526 353 H HA 0.337 4.894 4.556 0.002 0.000 0.274 353 H C 0.084 175.422 175.328 0.017 0.000 0.999 353 H CA -0.607 55.481 56.048 0.068 0.000 1.157 353 H CB 0.080 29.861 29.762 0.031 0.000 1.407 353 H HN 0.149 8.429 8.280 -0.000 0.000 0.568 354 L N 1.554 122.781 121.223 0.007 0.000 2.456 354 L HA 0.194 4.535 4.340 0.001 0.000 0.272 354 L C 0.927 177.554 176.870 -0.405 0.000 1.189 354 L CA 0.115 54.800 54.840 -0.259 0.000 0.846 354 L CB 0.580 42.353 42.059 -0.478 0.000 1.111 354 L HN 0.180 8.410 8.230 -0.000 0.000 0.475 355 G N 4.979 113.587 108.800 -0.320 0.000 2.663 355 G HA2 0.333 4.294 3.960 0.001 0.000 0.320 355 G HA3 0.333 4.294 3.960 0.001 0.000 0.320 355 G C -0.619 174.139 174.900 -0.236 0.000 0.937 355 G CA -0.399 44.597 45.100 -0.173 0.000 1.332 355 G HN 0.430 8.720 8.290 -0.000 0.000 0.461 356 F N 1.565 121.539 119.950 0.041 0.000 2.399 356 F HA 0.466 4.994 4.527 0.002 0.000 0.342 356 F C 1.344 177.163 175.800 0.031 0.000 1.106 356 F CA -0.292 57.731 58.000 0.039 0.000 1.196 356 F CB 1.235 40.258 39.000 0.038 0.000 1.163 356 F HN 0.464 8.764 8.300 -0.000 0.000 0.547 357 G N 0.630 109.556 108.800 0.210 0.000 2.606 357 G HA2 0.383 4.344 3.960 0.001 0.000 0.252 357 G HA3 0.383 4.344 3.960 0.001 0.000 0.252 357 G C 0.708 175.678 174.900 0.117 0.000 1.206 357 G CA -0.196 44.974 45.100 0.118 0.000 0.861 357 G HN 0.914 9.204 8.290 -0.000 0.000 0.561 358 A N -0.042 122.767 122.820 -0.018 0.000 2.067 358 A HA 0.009 4.330 4.320 0.001 0.000 0.219 358 A C 1.407 178.962 177.584 -0.049 0.000 1.158 358 A CA 1.070 53.046 52.037 -0.101 0.000 0.661 358 A CB -0.215 18.619 19.000 -0.276 0.000 0.801 358 A HN 0.620 8.770 8.150 -0.000 0.000 0.452 359 H N -0.851 118.331 119.070 0.186 0.000 2.512 359 H HA 0.145 4.702 4.556 0.001 0.000 0.276 359 H C 0.203 175.619 175.328 0.147 0.000 1.126 359 H CA -0.354 55.764 56.048 0.116 0.000 1.060 359 H CB 0.083 29.874 29.762 0.048 0.000 1.646 359 H HN 0.371 8.651 8.280 -0.000 0.000 0.571 360 D N 0.278 120.901 120.400 0.372 0.000 2.182 360 D HA -0.146 4.495 4.640 0.001 0.000 0.201 360 D C 1.734 178.255 176.300 0.368 0.000 0.986 360 D CA 1.336 55.537 54.000 0.335 0.000 0.847 360 D CB -0.038 40.974 40.800 0.353 0.000 0.942 360 D HN 0.762 9.132 8.370 -0.000 0.000 0.467 361 H N -2.419 116.787 119.070 0.227 0.000 2.551 361 H HA 0.261 4.818 4.556 0.001 0.000 0.271 361 H C -0.311 175.208 175.328 0.319 0.000 0.984 361 H CA -0.394 55.840 56.048 0.310 0.000 1.164 361 H CB 0.310 30.095 29.762 0.037 0.000 1.437 361 H HN -0.214 8.066 8.280 -0.000 0.000 0.550 362 D N 1.144 121.375 120.400 -0.281 0.000 2.472 362 D HA 0.088 4.729 4.640 0.001 0.000 0.234 362 D C 0.411 176.699 176.300 -0.018 0.000 1.088 362 D CA -0.613 53.272 54.000 -0.191 0.000 0.882 362 D CB 1.032 41.646 40.800 -0.310 0.000 1.037 362 D HN 0.209 8.579 8.370 -0.000 0.000 0.520 363 L N 3.310 124.567 121.223 0.057 0.000 2.551 363 L HA -0.022 4.319 4.340 0.001 0.000 0.228 363 L C 1.952 178.889 176.870 0.112 0.000 1.153 363 L CA 0.508 55.379 54.840 0.051 0.000 0.851 363 L CB -0.318 41.769 42.059 0.047 0.000 0.959 363 L HN 0.432 8.662 8.230 -0.000 0.000 0.451 364 L N -1.362 119.913 121.223 0.088 0.000 2.179 364 L HA -0.038 4.303 4.340 0.001 0.000 0.208 364 L C 1.897 178.781 176.870 0.024 0.000 1.096 364 L CA 1.589 56.477 54.840 0.080 0.000 0.779 364 L CB -0.242 41.843 42.059 0.043 0.000 0.922 364 L HN 0.209 8.439 8.230 -0.000 0.000 0.443 365 L N -0.958 120.231 121.223 -0.056 0.000 2.749 365 L HA 0.132 4.472 4.340 0.001 0.000 0.242 365 L C 1.284 178.129 176.870 -0.042 0.000 1.103 365 L CA 0.154 54.916 54.840 -0.129 0.000 0.906 365 L CB -0.228 41.551 42.059 -0.466 0.000 1.228 365 L HN 0.331 8.561 8.230 -0.000 0.000 0.517 366 N N 0.248 118.967 118.700 0.031 0.000 2.461 366 N HA -0.095 4.646 4.740 0.001 0.000 0.188 366 N C 0.199 175.784 175.510 0.126 0.000 1.134 366 N CA 0.111 53.220 53.050 0.097 0.000 0.878 366 N CB -0.087 38.471 38.487 0.119 0.000 0.972 366 N HN 0.179 8.559 8.380 -0.000 0.000 0.456 372 L N 1.539 122.789 121.223 0.044 0.000 2.334 372 L HA 0.582 4.923 4.340 0.001 0.000 0.277 372 L C -1.741 175.160 176.870 0.051 0.000 1.075 372 L CA -2.066 52.802 54.840 0.047 0.000 0.804 372 L CB 0.861 42.934 42.059 0.024 0.000 1.174 372 L HN 0.290 8.520 8.230 -0.000 0.000 0.438 373 P HA 0.228 4.648 4.420 -0.000 0.000 0.272 373 P C -0.541 176.734 177.300 -0.042 0.000 1.223 373 P CA -0.120 62.998 63.100 0.031 0.000 0.784 373 P CB 0.521 32.252 31.700 0.052 0.000 0.923 374 I N 1.047 121.568 120.570 -0.082 0.000 2.396 374 I HA 0.624 4.795 4.170 0.001 0.000 0.292 374 I C 1.034 177.060 176.117 -0.151 0.000 0.999 374 I CA 0.825 62.070 61.300 -0.090 0.000 1.310 374 I CB 0.762 38.719 38.000 -0.073 0.000 1.404 374 I HN 0.625 8.835 8.210 -0.000 0.000 0.496 375 G N 4.259 112.983 108.800 -0.127 0.000 2.361 375 G HA2 -0.009 3.952 3.960 0.001 0.000 0.331 375 G HA3 -0.009 3.952 3.960 0.001 0.000 0.331 375 G C -1.375 173.455 174.900 -0.118 0.000 1.324 375 G CA -1.034 43.973 45.100 -0.154 0.000 0.984 375 G HN 0.529 8.819 8.290 -0.000 0.000 0.586 376 E N 0.698 120.824 120.200 -0.124 0.000 2.217 376 E HA 0.319 4.670 4.350 0.001 0.000 0.279 376 E C 0.384 176.950 176.600 -0.057 0.000 1.068 376 E CA -0.088 56.263 56.400 -0.082 0.000 0.882 376 E CB 0.715 30.362 29.700 -0.088 0.000 1.039 376 E HN 0.391 8.751 8.360 -0.000 0.000 0.418 377 R N 3.543 124.031 120.500 -0.020 0.000 2.316 377 R HA 0.315 4.656 4.340 0.001 0.000 0.314 377 R C 0.196 176.529 176.300 0.055 0.000 1.069 377 R CA 0.089 56.198 56.100 0.015 0.000 0.959 377 R CB -0.047 30.264 30.300 0.018 0.000 0.987 377 R HN 0.533 8.803 8.270 -0.000 0.000 0.446 378 I N -0.956 119.671 120.570 0.095 0.000 2.994 378 I HA 0.539 4.710 4.170 0.001 0.000 0.306 378 I C -0.780 175.453 176.117 0.193 0.000 1.195 378 I CA -1.273 60.129 61.300 0.170 0.000 1.001 378 I CB 2.081 40.239 38.000 0.264 0.000 1.244 378 I HN 0.390 8.600 8.210 -0.000 0.000 0.437 379 I N 3.908 124.607 120.570 0.214 0.000 2.377 379 I HA 0.444 4.615 4.170 0.001 0.000 0.293 379 I C -0.740 175.561 176.117 0.305 0.000 0.987 379 I CA -1.059 60.374 61.300 0.222 0.000 1.185 379 I CB 2.059 40.147 38.000 0.147 0.000 1.341 379 I HN 0.312 8.522 8.210 -0.000 0.000 0.455 380 V N 6.205 126.340 119.914 0.369 0.000 2.334 380 V HA 0.737 4.858 4.120 0.001 0.000 0.281 380 V C 0.117 176.449 176.094 0.396 0.000 1.016 380 V CA -0.289 62.285 62.300 0.456 0.000 0.832 380 V CB 1.032 33.183 31.823 0.546 0.000 0.999 380 V HN 0.845 9.035 8.190 -0.000 0.000 0.439 381 A N 3.642 126.569 122.820 0.179 0.000 2.527 381 A HA 1.087 5.408 4.320 0.001 0.000 0.293 381 A C 0.013 177.421 177.584 -0.292 0.000 1.117 381 A CA -0.090 51.822 52.037 -0.208 0.000 0.723 381 A CB 2.257 21.195 19.000 -0.104 0.000 1.313 381 A HN 1.442 9.592 8.150 -0.000 0.000 0.411 382 G N -0.372 108.055 108.800 -0.622 0.000 2.325 382 G HA2 0.523 4.484 3.960 0.001 0.000 0.295 382 G HA3 0.523 4.484 3.960 0.001 0.000 0.295 382 G C -1.613 173.212 174.900 -0.125 0.000 1.274 382 G CA -0.702 44.273 45.100 -0.208 0.000 0.857 382 G HN 0.751 9.041 8.290 -0.000 0.000 0.499 383 R N -1.058 119.446 120.500 0.007 0.000 2.795 383 R HA 0.676 5.017 4.340 0.001 0.000 0.275 383 R C -1.324 174.971 176.300 -0.009 0.000 0.981 383 R CA -0.663 55.368 56.100 -0.116 0.000 0.917 383 R CB 2.430 32.483 30.300 -0.411 0.000 1.202 383 R HN 0.409 8.679 8.270 -0.000 0.000 0.469 384 V N 4.514 124.420 119.914 -0.013 0.000 2.357 384 V HA 0.372 4.493 4.120 0.001 0.000 0.284 384 V C 0.121 176.189 176.094 -0.044 0.000 1.018 384 V CA -0.601 61.696 62.300 -0.004 0.000 0.841 384 V CB 1.111 32.963 31.823 0.048 0.000 0.991 384 V HN 0.572 8.762 8.190 -0.000 0.000 0.437 385 V N 1.465 121.353 119.914 -0.044 0.000 3.158 385 V HA 0.867 4.988 4.120 0.001 0.000 0.315 385 V C -0.563 175.535 176.094 0.007 0.000 1.148 385 V CA -0.775 61.509 62.300 -0.027 0.000 1.042 385 V CB 2.269 34.065 31.823 -0.044 0.000 1.101 385 V HN 0.764 8.954 8.190 -0.000 0.000 0.448 386 D N 0.035 120.458 120.400 0.038 0.000 2.549 386 D HA 0.290 4.931 4.640 0.001 0.000 0.270 386 D C 0.700 177.007 176.300 0.012 0.000 1.181 386 D CA -0.463 53.577 54.000 0.067 0.000 1.070 386 D CB 1.270 42.159 40.800 0.148 0.000 1.154 386 D HN 0.606 8.976 8.370 -0.000 0.000 0.602 387 Q N -1.318 118.451 119.800 -0.053 0.000 2.291 387 Q HA -0.117 4.224 4.340 0.001 0.000 0.205 387 Q C 0.937 176.788 176.000 -0.248 0.000 0.970 387 Q CA 1.122 56.805 55.803 -0.200 0.000 0.876 387 Q CB -0.293 28.257 28.738 -0.313 0.000 0.935 387 Q HN 0.515 8.785 8.270 -0.000 0.000 0.455 388 Y N -0.657 119.632 120.300 -0.017 0.000 2.529 388 Y HA 0.149 4.700 4.550 0.002 0.000 0.290 388 Y C 1.556 177.443 175.900 -0.023 0.000 1.177 388 Y CA 0.522 58.609 58.100 -0.021 0.000 1.305 388 Y CB 0.330 38.777 38.460 -0.021 0.000 1.047 388 Y HN 0.182 8.462 8.280 -0.000 0.000 0.522 389 G N 0.695 109.543 108.800 0.080 0.000 2.136 389 G HA2 -0.315 3.646 3.960 0.001 0.000 0.242 389 G HA3 -0.315 3.646 3.960 0.001 0.000 0.242 389 G C 0.228 175.150 174.900 0.038 0.000 0.989 389 G CA 0.153 45.275 45.100 0.036 0.000 0.682 389 G HN 0.354 8.644 8.290 -0.000 0.000 0.522 390 K N 0.838 121.278 120.400 0.066 0.000 2.201 390 K HA 0.533 4.854 4.320 0.001 0.000 0.278 390 K C -2.457 174.153 176.600 0.017 0.000 1.027 390 K CA -1.996 54.315 56.287 0.040 0.000 0.909 390 K CB 1.454 33.988 32.500 0.056 0.000 1.062 390 K HN 0.007 8.257 8.250 -0.000 0.000 0.465 391 P HA -0.021 4.399 4.420 -0.000 0.000 0.269 391 P C -1.044 176.253 177.300 -0.004 0.000 1.209 391 P CA -0.386 62.690 63.100 -0.040 0.000 0.776 391 P CB 0.695 32.357 31.700 -0.065 0.000 0.876 392 V N 5.036 124.949 119.914 -0.002 0.000 2.266 392 V HA 0.283 4.404 4.120 0.001 0.000 0.271 392 V C -1.881 174.230 176.094 0.029 0.000 1.032 392 V CA -1.684 60.635 62.300 0.033 0.000 0.806 392 V CB 0.995 32.850 31.823 0.052 0.000 1.052 392 V HN 0.578 8.768 8.190 -0.000 0.000 0.449 393 P HA 0.279 4.699 4.420 -0.000 0.000 0.281 393 P C -0.182 177.144 177.300 0.044 0.000 1.249 393 P CA -0.263 62.855 63.100 0.030 0.000 0.810 393 P CB 0.646 32.361 31.700 0.025 0.000 1.008 394 N N -2.028 116.697 118.700 0.042 0.000 2.725 394 N HA -0.137 4.603 4.740 0.001 0.000 0.251 394 N C -0.318 175.246 175.510 0.091 0.000 1.031 394 N CA 0.767 53.847 53.050 0.051 0.000 0.720 394 N CB -1.526 36.985 38.487 0.039 0.000 0.930 394 N HN 0.470 8.850 8.380 -0.000 0.000 0.543 395 T N 0.194 114.806 114.554 0.096 0.000 2.940 395 T HA 0.593 4.944 4.350 0.001 0.000 0.288 395 T C -0.594 174.197 174.700 0.151 0.000 1.033 395 T CA -0.698 61.488 62.100 0.143 0.000 1.033 395 T CB 1.189 70.125 68.868 0.113 0.000 1.079 395 T HN 0.206 8.446 8.240 -0.000 0.000 0.496 396 L N 4.739 126.086 121.223 0.208 0.000 2.265 396 L HA 0.611 4.951 4.340 0.001 0.000 0.288 396 L C -1.060 175.872 176.870 0.103 0.000 1.058 396 L CA -0.129 54.790 54.840 0.131 0.000 0.809 396 L CB 0.726 42.785 42.059 0.000 0.000 1.179 396 L HN 0.356 8.586 8.230 -0.000 0.000 0.429 397 V N 5.208 125.187 119.914 0.108 0.000 2.378 397 V HA 0.494 4.615 4.120 0.001 0.000 0.288 397 V C -0.248 175.979 176.094 0.222 0.000 1.016 397 V CA -0.662 61.733 62.300 0.159 0.000 0.840 397 V CB 1.223 33.116 31.823 0.115 0.000 0.994 397 V HN 0.767 8.957 8.190 -0.000 0.000 0.431 398 E N 5.105 125.382 120.200 0.128 0.000 2.227 398 E HA 0.831 5.182 4.350 0.001 0.000 0.268 398 E C -0.746 175.778 176.600 -0.127 0.000 0.907 398 E CA -0.872 55.569 56.400 0.068 0.000 0.786 398 E CB 2.469 32.223 29.700 0.089 0.000 1.191 398 E HN 0.735 9.095 8.360 -0.000 0.000 0.411 399 M N 0.296 119.741 119.600 -0.259 0.000 2.531 399 M HA 0.745 5.226 4.480 0.001 0.000 0.286 399 M C -1.898 174.381 176.300 -0.034 0.000 1.232 399 M CA -0.717 54.283 55.300 -0.501 0.000 0.877 399 M CB 1.273 33.048 32.600 -1.376 0.000 1.726 399 M HN 0.603 8.893 8.290 -0.000 0.000 0.463 400 W N 0.701 121.867 121.300 -0.225 0.000 3.167 400 W HA 0.854 5.515 4.660 0.002 0.000 0.324 400 W C -1.839 174.718 176.519 0.064 0.000 1.230 400 W CA -0.431 56.869 57.345 -0.074 0.000 1.184 400 W CB 0.945 30.388 29.460 -0.029 0.000 1.414 400 W HN 1.203 9.383 8.180 -0.000 0.000 0.551 401 Q N 1.486 121.389 119.800 0.172 0.000 2.804 401 Q HA 0.727 5.068 4.340 0.001 0.000 0.302 401 Q C -1.481 174.387 176.000 -0.220 0.000 0.885 401 Q CA -1.138 54.661 55.803 -0.006 0.000 0.759 401 Q CB 1.246 29.942 28.738 -0.070 0.000 1.465 401 Q HN 1.006 9.276 8.270 -0.000 0.000 0.432 402 A N 1.076 123.504 122.820 -0.653 0.000 2.246 402 A HA 0.598 4.919 4.320 0.001 0.000 0.291 402 A C -0.150 177.298 177.584 -0.227 0.000 1.103 402 A CA 0.007 51.599 52.037 -0.741 0.000 0.844 402 A CB 0.037 18.491 19.000 -0.909 0.000 1.136 402 A HN 0.827 8.977 8.150 -0.000 0.000 0.500 403 N N -0.627 117.947 118.700 -0.211 0.000 2.374 403 N HA 0.362 5.103 4.740 0.001 0.000 0.284 403 N C 0.914 176.215 175.510 -0.348 0.000 1.280 403 N CA 0.269 53.071 53.050 -0.413 0.000 0.963 403 N CB -0.000 38.315 38.487 -0.287 0.000 1.141 403 N HN 0.627 9.007 8.380 -0.000 0.000 0.565 404 A N -1.473 121.122 122.820 -0.376 0.000 2.076 404 A HA 0.036 4.357 4.320 0.001 0.000 0.220 404 A C 1.724 179.234 177.584 -0.124 0.000 1.160 404 A CA 1.659 53.547 52.037 -0.250 0.000 0.653 404 A CB -1.407 17.446 19.000 -0.245 0.000 0.801 404 A HN 0.827 8.977 8.150 -0.000 0.000 0.455 405 G N -2.503 106.255 108.800 -0.071 0.000 3.233 405 G HA2 0.400 4.361 3.960 0.001 0.000 0.234 405 G HA3 0.400 4.361 3.960 0.001 0.000 0.234 405 G C 1.026 176.036 174.900 0.183 0.000 1.137 405 G CA 0.428 45.553 45.100 0.043 0.000 0.763 405 G HN 1.560 9.850 8.290 -0.000 0.000 0.549 406 G N -0.202 108.661 108.800 0.104 0.000 2.136 406 G HA2 -0.260 3.701 3.960 0.001 0.000 0.242 406 G HA3 -0.260 3.701 3.960 0.001 0.000 0.242 406 G C 0.315 175.272 174.900 0.095 0.000 0.989 406 G CA 0.296 45.511 45.100 0.192 0.000 0.682 406 G HN 0.714 9.004 8.290 -0.000 0.000 0.522 407 R N -0.174 120.347 120.500 0.034 0.000 2.346 407 R HA 0.678 5.019 4.340 0.001 0.000 0.311 407 R C -0.490 175.764 176.300 -0.076 0.000 0.983 407 R CA -0.854 55.276 56.100 0.050 0.000 0.880 407 R CB 0.281 30.613 30.300 0.055 0.000 1.100 407 R HN 0.159 8.429 8.270 -0.000 0.000 0.453 408 Y N 2.286 122.566 120.300 -0.033 0.000 2.334 408 Y HA 0.357 4.908 4.550 0.001 0.000 0.328 408 Y C 0.785 176.706 175.900 0.035 0.000 1.130 408 Y CA -0.444 57.656 58.100 0.000 0.000 1.163 408 Y CB 1.355 39.796 38.460 -0.030 0.000 1.207 408 Y HN 0.397 8.677 8.280 -0.000 0.000 0.471 409 R N 3.927 124.536 120.500 0.181 0.000 3.266 409 R HA 0.121 4.462 4.340 0.001 0.000 0.224 409 R C -1.325 175.056 176.300 0.135 0.000 1.525 409 R CA 0.078 56.229 56.100 0.085 0.000 1.364 409 R CB -0.533 29.734 30.300 -0.055 0.000 1.276 409 R HN 0.678 8.948 8.270 -0.000 0.000 0.660 410 H N 2.052 121.157 119.070 0.058 0.000 3.029 410 H HA 0.119 4.676 4.556 0.002 0.000 0.358 410 H C -0.012 175.326 175.328 0.017 0.000 1.129 410 H CA -0.631 55.429 56.048 0.020 0.000 1.230 410 H CB 1.450 31.205 29.762 -0.012 0.000 1.827 410 H HN 0.371 8.651 8.280 -0.000 0.000 0.530 411 K N 2.648 123.102 120.400 0.090 0.000 2.034 411 K HA -0.214 4.107 4.320 0.001 0.000 0.214 411 K C 1.158 177.929 176.600 0.285 0.000 1.051 411 K CA 2.183 58.560 56.287 0.149 0.000 0.931 411 K CB -0.102 32.409 32.500 0.018 0.000 0.715 411 K HN 0.507 8.757 8.250 -0.000 0.000 0.446 412 N N 0.923 119.938 118.700 0.524 0.000 2.520 412 N HA -0.105 4.636 4.740 0.001 0.000 0.185 412 N C -0.085 175.441 175.510 0.028 0.000 1.068 412 N CA 0.199 53.321 53.050 0.121 0.000 0.911 412 N CB -0.014 38.422 38.487 -0.085 0.000 0.961 412 N HN 0.191 8.571 8.380 -0.000 0.000 0.446 413 D N 0.873 121.319 120.400 0.077 0.000 2.365 413 D HA 0.081 4.722 4.640 0.001 0.000 0.237 413 D C -0.023 176.340 176.300 0.106 0.000 1.190 413 D CA -0.285 53.757 54.000 0.069 0.000 0.867 413 D CB 0.449 41.304 40.800 0.092 0.000 1.050 413 D HN -0.073 8.297 8.370 -0.000 0.000 0.491 414 R N 3.525 124.087 120.500 0.104 0.000 2.609 414 R HA 0.075 4.416 4.340 0.001 0.000 0.326 414 R C -0.117 176.272 176.300 0.148 0.000 1.090 414 R CA -0.738 55.422 56.100 0.101 0.000 1.072 414 R CB -1.202 29.142 30.300 0.073 0.000 1.330 414 R HN 0.421 8.691 8.270 -0.000 0.000 0.572 415 Y N 2.445 122.765 120.300 0.033 0.000 2.578 415 Y HA -0.060 4.491 4.550 0.002 0.000 0.339 415 Y C 1.681 177.606 175.900 0.042 0.000 1.231 415 Y CA -0.706 57.418 58.100 0.040 0.000 1.461 415 Y CB 0.858 39.347 38.460 0.049 0.000 1.323 415 Y HN 0.143 8.423 8.280 -0.000 0.000 0.590 416 L N 3.261 124.239 121.223 -0.408 0.000 2.456 416 L HA 0.232 4.573 4.340 0.001 0.000 0.224 416 L C 0.673 177.258 176.870 -0.475 0.000 1.148 416 L CA 0.861 55.481 54.840 -0.366 0.000 0.825 416 L CB -1.044 40.910 42.059 -0.173 0.000 0.937 416 L HN 0.645 8.875 8.230 -0.000 0.000 0.450 417 A N 2.445 124.753 122.820 -0.853 0.000 2.450 417 A HA 0.506 4.827 4.320 0.001 0.000 0.255 417 A C -2.160 175.297 177.584 -0.211 0.000 1.096 417 A CA -1.114 50.658 52.037 -0.442 0.000 0.778 417 A CB -0.447 18.341 19.000 -0.353 0.000 1.031 417 A HN 0.270 8.420 8.150 -0.000 0.000 0.494 418 P HA 0.337 4.757 4.420 -0.000 0.000 0.276 418 P C -0.412 176.863 177.300 -0.042 0.000 1.252 418 P CA -0.370 62.690 63.100 -0.066 0.000 0.802 418 P CB 0.610 32.280 31.700 -0.050 0.000 1.035 419 L N 0.813 122.026 121.223 -0.018 0.000 2.453 419 L HA 0.231 4.572 4.340 0.001 0.000 0.261 419 L C 0.977 177.842 176.870 -0.008 0.000 1.179 419 L CA 0.028 54.864 54.840 -0.008 0.000 0.813 419 L CB 0.070 42.134 42.059 0.007 0.000 1.110 419 L HN 0.360 8.590 8.230 -0.000 0.000 0.466 420 D N 2.832 123.228 120.400 -0.007 0.000 2.392 420 D HA 0.193 4.834 4.640 0.001 0.000 0.228 420 D C -1.636 174.688 176.300 0.040 0.000 1.074 420 D CA -2.163 51.841 54.000 0.007 0.000 0.838 420 D CB 1.647 42.431 40.800 -0.026 0.000 1.067 420 D HN 0.169 8.539 8.370 -0.000 0.000 0.511 421 P HA -0.140 4.280 4.420 -0.000 0.000 0.219 421 P C -0.089 177.377 177.300 0.276 0.000 1.144 421 P CA 1.004 64.201 63.100 0.162 0.000 0.806 421 P CB 0.290 32.059 31.700 0.114 0.000 0.771 422 N N -2.013 116.818 118.700 0.218 0.000 2.275 422 N HA 0.208 4.949 4.740 0.001 0.000 0.236 422 N C -0.727 174.958 175.510 0.291 0.000 1.154 422 N CA -0.308 52.925 53.050 0.305 0.000 0.866 422 N CB 0.094 38.691 38.487 0.184 0.000 1.093 422 N HN 0.068 8.448 8.380 -0.000 0.000 0.515 423 F N -0.631 119.203 119.950 -0.194 0.000 2.557 423 F HA 0.588 5.116 4.527 0.001 0.000 0.316 423 F C 0.868 176.142 175.800 -0.876 0.000 1.141 423 F CA -0.879 56.910 58.000 -0.353 0.000 0.922 423 F CB 1.491 40.368 39.000 -0.205 0.000 1.194 423 F HN -0.068 8.232 8.300 -0.000 0.000 0.443 424 G N 1.798 109.840 108.800 -1.264 0.000 2.645 424 G HA2 0.362 4.323 3.960 0.001 0.000 0.207 424 G HA3 0.362 4.323 3.960 0.001 0.000 0.207 424 G C 0.954 175.368 174.900 -0.809 0.000 1.145 424 G CA 0.228 44.718 45.100 -1.017 0.000 0.831 424 G HN 1.763 10.053 8.290 -0.000 0.000 0.563 425 G N -1.096 106.982 108.800 -1.204 0.000 2.142 425 G HA2 -0.058 3.903 3.960 0.001 0.000 0.225 425 G HA3 -0.058 3.903 3.960 0.001 0.000 0.225 425 G C -0.233 174.525 174.900 -0.237 0.000 1.015 425 G CA 0.054 44.695 45.100 -0.765 0.000 0.716 425 G HN 1.000 9.290 8.290 -0.000 0.000 0.508 426 V N -0.581 119.208 119.914 -0.209 0.000 2.656 426 V HA 0.975 5.096 4.120 0.001 0.000 0.307 426 V C 0.625 176.691 176.094 -0.046 0.000 1.051 426 V CA 0.036 62.301 62.300 -0.058 0.000 0.893 426 V CB 1.928 33.737 31.823 -0.024 0.000 0.999 426 V HN 1.186 9.376 8.190 -0.000 0.000 0.426 427 G N 3.276 112.052 108.800 -0.041 0.000 2.695 427 G HA2 0.884 4.845 3.960 0.001 0.000 0.290 427 G HA3 0.884 4.845 3.960 0.001 0.000 0.290 427 G C -1.430 173.580 174.900 0.184 0.000 1.410 427 G CA -0.968 44.182 45.100 0.083 0.000 0.844 427 G HN 0.931 9.221 8.290 -0.000 0.000 0.478 428 R N -2.043 118.737 120.500 0.467 0.000 2.629 428 R HA 0.735 5.076 4.340 0.001 0.000 0.266 428 R C -1.613 174.896 176.300 0.350 0.000 1.051 428 R CA -0.835 55.523 56.100 0.431 0.000 0.895 428 R CB 1.319 31.801 30.300 0.304 0.000 1.246 428 R HN 1.038 9.308 8.270 -0.000 0.000 0.459 429 C N 2.779 122.147 119.300 0.113 0.000 3.006 429 C HA 0.616 5.077 4.460 0.001 0.000 0.359 429 C C -1.530 173.304 174.990 -0.259 0.000 1.103 429 C CA -0.730 58.140 59.018 -0.246 0.000 1.286 429 C CB 1.496 28.945 27.740 -0.485 0.000 1.694 429 C HN 0.926 9.156 8.230 -0.000 0.000 0.511 430 L N 5.670 126.619 121.223 -0.457 0.000 2.289 430 L HA 0.659 5.000 4.340 0.001 0.000 0.285 430 L C 0.988 177.778 176.870 -0.133 0.000 1.049 430 L CA 0.624 55.305 54.840 -0.265 0.000 0.804 430 L CB 1.784 43.607 42.059 -0.393 0.000 1.195 430 L HN 0.943 9.173 8.230 -0.000 0.000 0.428 431 T N 0.524 115.071 114.554 -0.013 0.000 2.903 431 T HA 0.278 4.628 4.350 0.001 0.000 0.314 431 T C 0.106 174.816 174.700 0.017 0.000 1.078 431 T CA -0.414 61.709 62.100 0.039 0.000 1.114 431 T CB 0.442 69.360 68.868 0.083 0.000 0.987 431 T HN 0.713 8.953 8.240 -0.000 0.000 0.548 432 D N 1.136 121.561 120.400 0.042 0.000 2.478 432 D HA 0.244 4.884 4.640 0.001 0.000 0.274 432 D C 1.430 177.759 176.300 0.047 0.000 1.234 432 D CA -0.641 53.383 54.000 0.040 0.000 1.069 432 D CB -0.235 40.601 40.800 0.059 0.000 1.113 432 D HN 0.401 8.771 8.370 -0.000 0.000 0.571 433 S N -1.140 114.590 115.700 0.051 0.000 2.400 433 S HA -0.153 4.318 4.470 0.001 0.000 0.232 433 S C 0.989 175.616 174.600 0.045 0.000 1.025 433 S CA 1.254 59.481 58.200 0.045 0.000 0.993 433 S CB -0.319 62.908 63.200 0.046 0.000 0.808 433 S HN 0.514 8.824 8.310 -0.000 0.000 0.478 434 D N 0.092 120.540 120.400 0.080 0.000 2.340 434 D HA 0.243 4.884 4.640 0.001 0.000 0.217 434 D C 1.227 177.430 176.300 -0.162 0.000 1.081 434 D CA 0.486 54.509 54.000 0.039 0.000 0.842 434 D CB 0.394 41.342 40.800 0.247 0.000 0.934 434 D HN 0.493 8.863 8.370 -0.000 0.000 0.511 435 G N 1.090 109.835 108.800 -0.091 0.000 2.143 435 G HA2 -0.298 3.663 3.960 0.001 0.000 0.248 435 G HA3 -0.298 3.663 3.960 0.001 0.000 0.248 435 G C -0.076 174.738 174.900 -0.144 0.000 0.991 435 G CA -0.090 44.938 45.100 -0.120 0.000 0.689 435 G HN 0.287 8.577 8.290 -0.000 0.000 0.522 436 Y N 0.002 120.323 120.300 0.035 0.000 2.299 436 Y HA 0.591 5.142 4.550 0.001 0.000 0.326 436 Y C 0.655 176.571 175.900 0.027 0.000 1.164 436 Y CA -0.335 57.763 58.100 -0.003 0.000 1.234 436 Y CB 0.712 39.137 38.460 -0.059 0.000 1.219 436 Y HN 0.445 8.725 8.280 -0.000 0.000 0.497 437 Y N -0.720 119.660 120.300 0.133 0.000 2.609 437 Y HA 0.843 5.393 4.550 0.001 0.000 0.342 437 Y C -0.931 174.955 175.900 -0.025 0.000 1.058 437 Y CA -1.473 56.613 58.100 -0.023 0.000 1.055 437 Y CB 1.919 40.362 38.460 -0.029 0.000 1.292 437 Y HN 0.505 8.785 8.280 -0.000 0.000 0.476 438 S N 1.381 117.016 115.700 -0.108 0.000 2.556 438 S HA 0.721 5.192 4.470 0.001 0.000 0.280 438 S C -2.092 172.424 174.600 -0.139 0.000 1.141 438 S CA -0.752 57.395 58.200 -0.088 0.000 0.883 438 S CB 0.493 63.663 63.200 -0.049 0.000 1.103 438 S HN 0.667 8.977 8.310 -0.000 0.000 0.453 439 F N 1.333 121.490 119.950 0.346 0.000 2.593 439 F HA 0.741 5.269 4.527 0.001 0.000 0.320 439 F C 0.470 176.386 175.800 0.193 0.000 1.060 439 F CA -0.786 57.382 58.000 0.279 0.000 0.940 439 F CB 2.027 41.181 39.000 0.257 0.000 1.268 439 F HN 0.711 9.011 8.300 -0.000 0.000 0.475 440 R N 1.132 121.828 120.500 0.326 0.000 2.513 440 R HA 0.685 5.026 4.340 0.001 0.000 0.301 440 R C -1.071 175.344 176.300 0.191 0.000 0.968 440 R CA -0.020 56.199 56.100 0.199 0.000 0.872 440 R CB 2.019 32.379 30.300 0.101 0.000 1.177 440 R HN 0.910 9.180 8.270 -0.000 0.000 0.444 441 T N 2.761 117.426 114.554 0.185 0.000 2.630 441 T HA 0.505 4.856 4.350 0.001 0.000 0.300 441 T C -1.542 173.224 174.700 0.110 0.000 1.261 441 T CA -0.526 61.689 62.100 0.192 0.000 1.060 441 T CB 0.705 69.698 68.868 0.209 0.000 1.670 441 T HN 0.515 8.755 8.240 -0.000 0.000 0.473 442 I N -0.030 120.562 120.570 0.037 0.000 2.646 442 I HA 0.684 4.855 4.170 0.001 0.000 0.299 442 I C -0.320 175.695 176.117 -0.170 0.000 1.036 442 I CA -1.021 60.205 61.300 -0.124 0.000 1.074 442 I CB 1.558 39.395 38.000 -0.272 0.000 1.258 442 I HN 0.550 8.760 8.210 -0.000 0.000 0.430 443 K N 5.846 126.115 120.400 -0.219 0.000 2.412 443 K HA 0.316 4.637 4.320 0.001 0.000 0.284 443 K C -2.241 174.146 176.600 -0.356 0.000 1.046 443 K CA -1.381 54.681 56.287 -0.375 0.000 0.999 443 K CB 0.431 32.638 32.500 -0.489 0.000 0.941 443 K HN 0.506 8.756 8.250 -0.000 0.000 0.474 444 P HA 0.074 4.494 4.420 -0.000 0.000 0.272 444 P C -0.282 176.891 177.300 -0.212 0.000 1.223 444 P CA -0.346 62.603 63.100 -0.253 0.000 0.784 444 P CB 0.948 32.522 31.700 -0.211 0.000 0.923 445 G N 1.672 110.400 108.800 -0.119 0.000 2.437 445 G HA2 0.550 4.511 3.960 0.001 0.000 0.319 445 G HA3 0.550 4.511 3.960 0.001 0.000 0.319 445 G C -2.638 172.324 174.900 0.103 0.000 1.158 445 G CA -1.535 43.555 45.100 -0.017 0.000 0.899 445 G HN 0.320 8.610 8.290 -0.000 0.000 0.502 446 P HA 0.326 4.746 4.420 -0.000 0.000 0.273 446 P C -1.266 176.229 177.300 0.324 0.000 1.250 446 P CA -0.109 63.083 63.100 0.153 0.000 0.793 446 P CB 0.475 32.274 31.700 0.165 0.000 1.011 447 Y N -3.322 117.127 120.300 0.248 0.000 2.581 447 Y HA 0.684 5.235 4.550 0.002 0.000 0.337 447 Y C -3.184 172.583 175.900 -0.222 0.000 1.108 447 Y CA -3.219 54.862 58.100 -0.032 0.000 1.033 447 Y CB 0.521 38.894 38.460 -0.145 0.000 1.318 447 Y HN 0.165 8.445 8.280 -0.000 0.000 0.459 448 P HA 0.263 4.683 4.420 -0.000 0.000 0.281 448 P C -1.209 176.002 177.300 -0.149 0.000 1.249 448 P CA 0.109 62.641 63.100 -0.948 0.000 0.810 448 P CB 1.313 32.129 31.700 -1.473 0.000 1.008 449 W N 1.164 122.230 121.300 -0.391 0.000 3.118 449 W HA 0.423 5.083 4.660 0.001 0.000 0.328 449 W C -0.960 175.476 176.519 -0.138 0.000 1.239 449 W CA -1.223 56.029 57.345 -0.155 0.000 1.176 449 W CB 0.540 29.980 29.460 -0.032 0.000 1.433 449 W HN 0.214 8.394 8.180 -0.000 0.000 0.562 450 R N 2.723 123.190 120.500 -0.056 0.000 3.710 450 R HA 0.074 4.415 4.340 0.001 0.000 0.201 450 R C -0.005 176.099 176.300 -0.326 0.000 1.641 450 R CA 0.117 56.105 56.100 -0.187 0.000 1.390 450 R CB -0.203 30.060 30.300 -0.062 0.000 1.341 450 R HN 0.470 8.740 8.270 -0.000 0.000 0.728 451 N N 0.469 118.767 118.700 -0.670 0.000 2.336 451 N HA 0.139 4.880 4.740 0.001 0.000 0.191 451 N C 0.661 175.925 175.510 -0.409 0.000 1.266 451 N CA 0.304 52.935 53.050 -0.699 0.000 1.082 451 N CB 0.090 37.710 38.487 -1.444 0.000 1.349 451 N HN 0.311 8.691 8.380 -0.000 0.000 0.442 452 G N -0.455 108.098 108.800 -0.413 0.000 2.621 452 G HA2 0.277 4.238 3.960 0.001 0.000 0.271 452 G HA3 0.277 4.238 3.960 0.001 0.000 0.271 452 G C -1.780 172.988 174.900 -0.221 0.000 1.236 452 G CA -0.696 44.268 45.100 -0.228 0.000 0.958 452 G HN 0.363 8.653 8.290 -0.000 0.000 0.512 453 P HA -0.026 4.394 4.420 -0.000 0.000 0.222 453 P C 0.541 177.791 177.300 -0.084 0.000 1.147 453 P CA 1.038 64.079 63.100 -0.099 0.000 0.790 453 P CB 0.356 32.024 31.700 -0.052 0.000 0.780 454 N N -0.241 118.420 118.700 -0.066 0.000 2.646 454 N HA 0.074 4.815 4.740 0.001 0.000 0.296 454 N C -1.376 174.175 175.510 0.067 0.000 1.886 454 N CA -0.208 52.865 53.050 0.038 0.000 0.855 454 N CB -0.238 38.329 38.487 0.133 0.000 1.336 454 N HN -0.269 8.111 8.380 -0.000 0.000 0.496 455 D N 0.304 120.599 120.400 -0.176 0.000 2.210 455 D HA 0.325 4.965 4.640 0.001 0.000 0.249 455 D C -0.633 175.587 176.300 -0.133 0.000 1.078 455 D CA 0.298 54.199 54.000 -0.165 0.000 0.875 455 D CB 0.663 41.142 40.800 -0.535 0.000 1.175 455 D HN 0.237 8.607 8.370 -0.000 0.000 0.440 456 W N 2.095 123.492 121.300 0.162 0.000 2.830 456 W HA 0.294 4.955 4.660 0.002 0.000 0.335 456 W C 0.136 176.712 176.519 0.095 0.000 1.043 456 W CA -0.906 56.534 57.345 0.157 0.000 1.239 456 W CB 1.084 30.565 29.460 0.034 0.000 1.378 456 W HN -0.104 8.076 8.180 -0.000 0.000 0.456 457 R N 3.020 123.539 120.500 0.031 0.000 2.491 457 R HA 0.261 4.602 4.340 0.001 0.000 0.283 457 R C -2.219 174.041 176.300 -0.067 0.000 1.072 457 R CA -2.018 53.928 56.100 -0.256 0.000 1.048 457 R CB -0.155 29.684 30.300 -0.768 0.000 0.983 457 R HN 0.115 8.385 8.270 -0.000 0.000 0.450 458 P HA 0.053 4.473 4.420 -0.000 0.000 0.272 458 P C -0.643 176.796 177.300 0.231 0.000 1.230 458 P CA -0.320 62.840 63.100 0.099 0.000 0.788 458 P CB 0.481 32.222 31.700 0.069 0.000 0.949 459 A N 2.549 125.482 122.820 0.189 0.000 2.546 459 A HA 0.331 4.652 4.320 0.001 0.000 0.243 459 A C 0.366 178.143 177.584 0.322 0.000 1.063 459 A CA 0.587 52.720 52.037 0.160 0.000 0.757 459 A CB -0.774 18.243 19.000 0.028 0.000 0.991 459 A HN 0.803 8.953 8.150 -0.000 0.000 0.503 460 H N -0.249 118.867 119.070 0.076 0.000 3.042 460 H HA 0.613 5.170 4.556 0.001 0.000 0.346 460 H C -1.901 173.287 175.328 -0.233 0.000 1.294 460 H CA -1.194 54.721 56.048 -0.222 0.000 1.141 460 H CB 0.841 30.242 29.762 -0.603 0.000 1.872 460 H HN 0.450 8.730 8.280 -0.000 0.000 0.541 461 I N 2.496 122.853 120.570 -0.355 0.000 2.406 461 I HA 0.190 4.361 4.170 0.001 0.000 0.290 461 I C 0.031 175.919 176.117 -0.381 0.000 0.999 461 I CA -0.697 60.419 61.300 -0.306 0.000 1.124 461 I CB 1.580 39.498 38.000 -0.138 0.000 1.289 461 I HN 0.429 8.639 8.210 -0.000 0.000 0.441 462 H N 5.898 124.645 119.070 -0.539 0.000 2.610 462 H HA 0.321 4.878 4.556 0.002 0.000 0.336 462 H C -1.130 173.774 175.328 -0.707 0.000 1.087 462 H CA 0.285 55.822 56.048 -0.851 0.000 1.405 462 H CB 1.162 29.700 29.762 -2.039 0.000 1.460 462 H HN 0.305 8.585 8.280 -0.000 0.000 0.538 463 F N 0.207 119.935 119.950 -0.370 0.000 2.532 463 F HA 0.434 4.962 4.527 0.002 0.000 0.321 463 F C 0.561 176.396 175.800 0.060 0.000 1.089 463 F CA -0.590 57.338 58.000 -0.119 0.000 0.926 463 F CB 2.398 41.382 39.000 -0.027 0.000 1.168 463 F HN 0.552 8.852 8.300 -0.000 0.000 0.459 464 G N 3.386 112.368 108.800 0.303 0.000 2.609 464 G HA2 0.692 4.653 3.960 0.001 0.000 0.308 464 G HA3 0.692 4.653 3.960 0.001 0.000 0.308 464 G C -1.812 173.218 174.900 0.217 0.000 1.369 464 G CA -0.518 44.748 45.100 0.277 0.000 0.958 464 G HN 0.398 8.688 8.290 -0.000 0.000 0.499 465 I N 1.650 122.329 120.570 0.182 0.000 2.499 465 I HA 0.273 4.444 4.170 0.001 0.000 0.288 465 I C 1.189 177.381 176.117 0.124 0.000 1.048 465 I CA -0.681 60.706 61.300 0.146 0.000 1.062 465 I CB 2.058 40.135 38.000 0.128 0.000 1.238 465 I HN 0.541 8.751 8.210 -0.000 0.000 0.426 466 S N 4.072 119.856 115.700 0.140 0.000 2.329 466 S HA 0.394 4.864 4.470 0.001 0.000 0.215 466 S C 1.185 175.848 174.600 0.105 0.000 1.031 466 S CA 0.499 58.799 58.200 0.166 0.000 0.985 466 S CB -0.838 62.553 63.200 0.318 0.000 0.917 466 S HN 1.516 9.826 8.310 -0.000 0.000 0.441 467 G N 1.915 110.779 108.800 0.107 0.000 2.741 467 G HA2 -0.134 3.827 3.960 0.001 0.000 0.222 467 G HA3 -0.134 3.827 3.960 0.001 0.000 0.222 467 G C -2.192 172.743 174.900 0.059 0.000 1.364 467 G CA -0.236 44.905 45.100 0.069 0.000 0.866 467 G HN 0.411 8.701 8.290 -0.000 0.000 0.555 468 P HA 0.161 4.581 4.420 -0.000 0.000 0.237 468 P C 0.693 177.990 177.300 -0.006 0.000 1.178 468 P CA 1.776 64.915 63.100 0.066 0.000 0.766 468 P CB 0.091 31.903 31.700 0.186 0.000 0.876 469 S N -1.203 114.417 115.700 -0.134 0.000 2.636 469 S HA 0.309 4.780 4.470 0.001 0.000 0.268 469 S C 0.847 175.344 174.600 -0.172 0.000 1.159 469 S CA -0.724 57.370 58.200 -0.175 0.000 0.815 469 S CB 0.115 63.125 63.200 -0.316 0.000 1.130 469 S HN -0.029 8.281 8.310 -0.000 0.000 0.471 470 I N -0.987 119.511 120.570 -0.120 0.000 2.756 470 I HA 0.187 4.358 4.170 0.001 0.000 0.262 470 I C 2.091 178.134 176.117 -0.124 0.000 1.225 470 I CA 1.229 62.481 61.300 -0.079 0.000 1.472 470 I CB -0.683 37.295 38.000 -0.036 0.000 1.094 470 I HN 0.676 8.886 8.210 -0.000 0.000 0.454 471 A N 2.066 124.745 122.820 -0.236 0.000 1.930 471 A HA -0.155 4.166 4.320 0.001 0.000 0.217 471 A C 2.454 179.874 177.584 -0.273 0.000 1.175 471 A CA 2.253 54.125 52.037 -0.274 0.000 0.627 471 A CB -1.179 17.600 19.000 -0.367 0.000 0.815 471 A HN 0.639 8.789 8.150 -0.000 0.000 0.443 472 T N -2.439 111.905 114.554 -0.349 0.000 3.081 472 T HA 0.120 4.471 4.350 0.001 0.000 0.255 472 T C 0.864 175.525 174.700 -0.066 0.000 1.113 472 T CA 0.554 62.539 62.100 -0.191 0.000 1.082 472 T CB -0.361 68.387 68.868 -0.201 0.000 0.939 472 T HN 0.327 8.567 8.240 -0.000 0.000 0.506 473 K N 1.540 121.908 120.400 -0.053 0.000 2.524 473 K HA 0.317 4.638 4.320 0.001 0.000 0.279 473 K C -0.803 175.815 176.600 0.031 0.000 0.993 473 K CA -0.268 56.028 56.287 0.016 0.000 1.030 473 K CB 0.027 32.544 32.500 0.028 0.000 0.891 473 K HN 0.353 8.603 8.250 -0.000 0.000 0.488 474 L N 4.982 126.247 121.223 0.071 0.000 2.505 474 L HA 0.555 4.896 4.340 0.001 0.000 0.259 474 L C -1.674 175.277 176.870 0.134 0.000 0.952 474 L CA -0.478 54.416 54.840 0.090 0.000 0.840 474 L CB 1.699 43.817 42.059 0.098 0.000 1.358 474 L HN 0.780 9.010 8.230 -0.000 0.000 0.409 475 I N 3.415 124.071 120.570 0.144 0.000 2.465 475 I HA 0.634 4.805 4.170 0.001 0.000 0.291 475 I C -0.199 176.014 176.117 0.159 0.000 1.014 475 I CA -0.184 61.228 61.300 0.187 0.000 1.093 475 I CB 2.097 40.233 38.000 0.228 0.000 1.267 475 I HN 0.702 8.912 8.210 -0.000 0.000 0.431 476 T N 4.524 119.169 114.554 0.153 0.000 2.618 476 T HA 0.488 4.839 4.350 0.001 0.000 0.293 476 T C -1.769 172.912 174.700 -0.031 0.000 1.093 476 T CA -0.455 61.696 62.100 0.086 0.000 1.061 476 T CB 1.878 70.820 68.868 0.125 0.000 1.498 476 T HN 0.592 8.832 8.240 -0.000 0.000 0.494 477 Q N 1.009 120.703 119.800 -0.177 0.000 2.331 477 Q HA 0.570 4.911 4.340 0.001 0.000 0.272 477 Q C -1.426 174.119 176.000 -0.759 0.000 1.062 477 Q CA -0.679 54.812 55.803 -0.520 0.000 0.806 477 Q CB 3.016 31.312 28.738 -0.736 0.000 1.312 477 Q HN 0.622 8.892 8.270 -0.000 0.000 0.431 478 L N 2.217 122.872 121.223 -0.946 0.000 2.307 478 L HA 0.558 4.899 4.340 0.001 0.000 0.282 478 L C -1.628 174.508 176.870 -1.223 0.000 1.051 478 L CA -0.456 53.609 54.840 -1.291 0.000 0.804 478 L CB 0.577 41.731 42.059 -1.509 0.000 1.197 478 L HN 0.609 8.839 8.230 -0.000 0.000 0.431 479 Y N 3.128 123.038 120.300 -0.650 0.000 2.587 479 Y HA 0.534 5.085 4.550 0.002 0.000 0.337 479 Y C -0.703 174.806 175.900 -0.652 0.000 1.065 479 Y CA -0.592 57.227 58.100 -0.469 0.000 1.126 479 Y CB 1.510 39.835 38.460 -0.225 0.000 1.279 479 Y HN 0.352 8.632 8.280 -0.000 0.000 0.489 480 F N 0.267 120.194 119.950 -0.037 0.000 2.420 480 F HA 0.276 4.804 4.527 0.001 0.000 0.342 480 F C 0.394 176.201 175.800 0.011 0.000 1.113 480 F CA -1.265 56.658 58.000 -0.128 0.000 1.059 480 F CB 1.135 39.962 39.000 -0.288 0.000 1.128 480 F HN 0.445 8.745 8.300 -0.000 0.000 0.475 481 E N 1.928 122.274 120.200 0.243 0.000 2.608 481 E HA 0.204 4.555 4.350 0.001 0.000 0.259 481 E C 1.280 177.983 176.600 0.173 0.000 0.951 481 E CA 1.088 57.612 56.400 0.208 0.000 0.945 481 E CB 0.176 30.035 29.700 0.264 0.000 0.916 481 E HN 0.935 9.295 8.360 -0.000 0.000 0.477 482 G N 4.000 112.862 108.800 0.105 0.000 2.212 482 G HA2 -0.331 3.629 3.960 0.001 0.000 0.266 482 G HA3 -0.331 3.629 3.960 0.001 0.000 0.266 482 G C 0.129 175.060 174.900 0.052 0.000 0.978 482 G CA 0.252 45.393 45.100 0.070 0.000 0.632 482 G HN 0.777 9.067 8.290 -0.000 0.000 0.537 483 D N 1.430 121.871 120.400 0.068 0.000 2.472 483 D HA 0.208 4.849 4.640 0.001 0.000 0.248 483 D C 0.105 176.407 176.300 0.002 0.000 1.174 483 D CA -0.920 53.106 54.000 0.042 0.000 0.883 483 D CB 1.176 42.026 40.800 0.083 0.000 1.149 483 D HN 0.244 8.614 8.370 -0.000 0.000 0.488 484 P HA -0.083 4.337 4.420 -0.000 0.000 0.223 484 P C 1.751 179.027 177.300 -0.039 0.000 1.151 484 P CA 0.567 63.650 63.100 -0.029 0.000 0.787 484 P CB 0.312 31.991 31.700 -0.035 0.000 0.788 485 L N -1.027 120.174 121.223 -0.036 0.000 2.217 485 L HA -0.081 4.260 4.340 0.001 0.000 0.211 485 L C 2.617 179.446 176.870 -0.068 0.000 1.107 485 L CA 0.715 55.536 54.840 -0.032 0.000 0.783 485 L CB -0.744 41.314 42.059 -0.002 0.000 0.919 485 L HN -0.141 8.089 8.230 -0.000 0.000 0.442 486 I N 0.609 121.117 120.570 -0.104 0.000 2.091 486 I HA -0.283 3.888 4.170 0.001 0.000 0.240 486 I C -0.352 175.653 176.117 -0.187 0.000 1.046 486 I CA 1.759 62.934 61.300 -0.209 0.000 1.306 486 I CB -1.635 36.236 38.000 -0.215 0.000 1.018 486 I HN 0.260 8.470 8.210 -0.000 0.000 0.404 487 P HA -0.108 4.312 4.420 -0.000 0.000 0.228 487 P C 1.286 178.543 177.300 -0.072 0.000 1.151 487 P CA 1.462 64.506 63.100 -0.094 0.000 0.770 487 P CB -0.081 31.580 31.700 -0.065 0.000 0.786 488 M N -2.681 116.885 119.600 -0.057 0.000 2.371 488 M HA 0.125 4.606 4.480 0.001 0.000 0.246 488 M C 0.594 176.891 176.300 -0.005 0.000 1.103 488 M CA -0.144 55.143 55.300 -0.022 0.000 1.010 488 M CB -0.039 32.562 32.600 0.001 0.000 1.457 488 M HN -0.135 8.155 8.290 -0.000 0.000 0.486 489 C N 3.614 122.889 119.300 -0.042 0.000 2.499 489 C HA 0.263 4.723 4.460 0.001 0.000 0.386 489 C C -1.126 173.850 174.990 -0.024 0.000 1.293 489 C CA -1.410 57.599 59.018 -0.015 0.000 1.884 489 C CB 0.497 28.169 27.740 -0.115 0.000 2.509 489 C HN 0.255 8.485 8.230 -0.000 0.000 0.566 490 P HA -0.053 4.367 4.420 -0.000 0.000 0.220 490 P C 1.353 178.644 177.300 -0.016 0.000 1.148 490 P CA 1.393 64.530 63.100 0.061 0.000 0.803 490 P CB 0.050 31.832 31.700 0.137 0.000 0.782 491 I N -1.363 119.122 120.570 -0.142 0.000 2.286 491 I HA -0.167 4.004 4.170 0.001 0.000 0.245 491 I C 2.130 178.131 176.117 -0.193 0.000 1.104 491 I CA 1.134 62.233 61.300 -0.334 0.000 1.397 491 I CB -0.588 37.055 38.000 -0.595 0.000 1.072 491 I HN -0.181 8.029 8.210 -0.000 0.000 0.417 492 V N 0.899 120.685 119.914 -0.215 0.000 2.358 492 V HA -0.264 3.857 4.120 0.001 0.000 0.246 492 V C 2.222 178.222 176.094 -0.157 0.000 1.047 492 V CA 1.754 63.907 62.300 -0.245 0.000 1.035 492 V CB -0.647 30.927 31.823 -0.413 0.000 0.658 492 V HN 0.369 8.559 8.190 -0.000 0.000 0.452 493 K N 0.843 121.174 120.400 -0.115 0.000 2.515 493 K HA -0.095 4.226 4.320 0.001 0.000 0.196 493 K C 2.213 178.790 176.600 -0.038 0.000 1.038 493 K CA 1.217 57.461 56.287 -0.072 0.000 0.967 493 K CB -0.237 32.236 32.500 -0.046 0.000 0.780 493 K HN 0.662 8.912 8.250 -0.000 0.000 0.483 494 S N 0.758 116.445 115.700 -0.021 0.000 2.442 494 S HA -0.095 4.376 4.470 0.001 0.000 0.236 494 S C 0.883 175.475 174.600 -0.013 0.000 1.007 494 S CA 0.506 58.722 58.200 0.027 0.000 0.965 494 S CB -0.389 62.856 63.200 0.074 0.000 0.773 494 S HN 0.156 8.466 8.310 -0.000 0.000 0.504 495 I N 1.979 122.509 120.570 -0.066 0.000 2.301 495 I HA 0.323 4.494 4.170 0.001 0.000 0.292 495 I C 1.441 177.482 176.117 -0.128 0.000 1.046 495 I CA -0.293 60.933 61.300 -0.124 0.000 1.282 495 I CB 1.142 39.024 38.000 -0.196 0.000 1.409 495 I HN 0.212 8.422 8.210 -0.000 0.000 0.484 496 A N 5.415 128.171 122.820 -0.106 0.000 1.933 496 A HA -0.184 4.137 4.320 0.001 0.000 0.218 496 A C 1.181 178.702 177.584 -0.105 0.000 1.175 496 A CA 1.142 53.131 52.037 -0.080 0.000 0.628 496 A CB -0.418 18.558 19.000 -0.039 0.000 0.814 496 A HN 0.812 8.962 8.150 -0.000 0.000 0.444 497 N N 0.229 118.825 118.700 -0.173 0.000 2.420 497 N HA 0.222 4.963 4.740 0.001 0.000 0.249 497 N C -1.808 173.566 175.510 -0.227 0.000 1.033 497 N CA -1.866 51.077 53.050 -0.177 0.000 0.944 497 N CB 1.402 39.790 38.487 -0.165 0.000 1.113 497 N HN -0.005 8.375 8.380 -0.000 0.000 0.502 498 P HA -0.211 4.209 4.420 -0.000 0.000 0.217 498 P C 0.282 177.517 177.300 -0.108 0.000 1.148 498 P CA 1.464 64.499 63.100 -0.108 0.000 0.834 498 P CB 0.316 31.983 31.700 -0.054 0.000 0.783 499 E N -0.179 119.970 120.200 -0.085 0.000 2.150 499 E HA -0.065 4.285 4.350 0.001 0.000 0.193 499 E C 2.253 178.795 176.600 -0.097 0.000 0.985 499 E CA 1.058 57.462 56.400 0.007 0.000 0.814 499 E CB -0.462 29.342 29.700 0.175 0.000 0.752 499 E HN 0.209 8.569 8.360 -0.000 0.000 0.466 500 A N 0.677 123.167 122.820 -0.549 0.000 1.968 500 A HA -0.094 4.227 4.320 0.001 0.000 0.217 500 A C 2.414 179.768 177.584 -0.382 0.000 1.169 500 A CA 0.759 52.225 52.037 -0.951 0.000 0.638 500 A CB -0.399 17.490 19.000 -1.852 0.000 0.812 500 A HN 0.111 8.261 8.150 -0.000 0.000 0.446 501 V N 0.227 119.979 119.914 -0.270 0.000 2.343 501 V HA -0.270 3.851 4.120 0.001 0.000 0.247 501 V C 2.647 178.707 176.094 -0.057 0.000 1.051 501 V CA 1.970 64.178 62.300 -0.153 0.000 1.036 501 V CB -0.750 30.978 31.823 -0.159 0.000 0.654 501 V HN 0.544 8.734 8.190 -0.000 0.000 0.451 502 Q N -0.229 119.550 119.800 -0.034 0.000 2.197 502 Q HA -0.267 4.073 4.340 0.001 0.000 0.207 502 Q C 2.213 178.257 176.000 0.073 0.000 0.984 502 Q CA 1.593 57.411 55.803 0.025 0.000 0.869 502 Q CB -0.370 28.391 28.738 0.038 0.000 0.906 502 Q HN 0.699 8.969 8.270 -0.000 0.000 0.426 503 Q N -0.254 119.594 119.800 0.080 0.000 2.297 503 Q HA 0.004 4.345 4.340 0.001 0.000 0.204 503 Q C 1.725 177.847 176.000 0.204 0.000 0.962 503 Q CA 0.441 56.316 55.803 0.120 0.000 0.879 503 Q CB 0.176 28.998 28.738 0.139 0.000 0.947 503 Q HN 0.360 8.630 8.270 -0.000 0.000 0.462 504 L N 0.355 121.700 121.223 0.203 0.000 2.591 504 L HA 0.170 4.511 4.340 0.001 0.000 0.228 504 L C 0.402 177.372 176.870 0.167 0.000 1.133 504 L CA -0.010 54.994 54.840 0.274 0.000 0.880 504 L CB 0.288 42.488 42.059 0.235 0.000 1.033 504 L HN 0.116 8.346 8.230 -0.000 0.000 0.450 505 I N 0.858 121.520 120.570 0.154 0.000 2.312 505 I HA 0.265 4.436 4.170 0.001 0.000 0.290 505 I C 0.598 176.771 176.117 0.094 0.000 1.008 505 I CA -0.422 60.919 61.300 0.068 0.000 1.226 505 I CB 1.376 39.420 38.000 0.073 0.000 1.371 505 I HN -0.060 8.150 8.210 -0.000 0.000 0.468 506 A N 8.101 130.886 122.820 -0.058 0.000 2.450 506 A HA 0.347 4.668 4.320 0.001 0.000 0.255 506 A C 0.036 177.777 177.584 0.260 0.000 1.096 506 A CA -0.402 51.677 52.037 0.070 0.000 0.778 506 A CB 0.191 19.063 19.000 -0.213 0.000 1.031 506 A HN 0.604 8.754 8.150 -0.000 0.000 0.494 507 K N 2.300 122.874 120.400 0.289 0.000 2.130 507 K HA 0.332 4.653 4.320 0.001 0.000 0.268 507 K C -0.471 176.242 176.600 0.188 0.000 0.983 507 K CA -0.884 55.550 56.287 0.245 0.000 0.893 507 K CB 1.629 34.211 32.500 0.137 0.000 1.066 507 K HN 0.567 8.817 8.250 -0.000 0.000 0.450 508 L N 2.139 123.364 121.223 0.004 0.000 2.540 508 L HA -0.039 4.302 4.340 0.001 0.000 0.276 508 L C -0.229 176.503 176.870 -0.231 0.000 1.212 508 L CA 0.896 55.460 54.840 -0.460 0.000 0.893 508 L CB -0.063 41.837 42.059 -0.265 0.000 1.138 508 L HN 0.597 8.827 8.230 -0.000 0.000 0.491 509 D N 4.794 125.036 120.400 -0.262 0.000 2.378 509 D HA 0.177 4.818 4.640 0.001 0.000 0.265 509 D C 0.788 177.028 176.300 -0.100 0.000 1.229 509 D CA -0.384 53.551 54.000 -0.108 0.000 0.914 509 D CB 0.606 41.383 40.800 -0.039 0.000 1.140 509 D HN 0.487 8.857 8.370 -0.000 0.000 0.516 510 M N 1.167 120.714 119.600 -0.088 0.000 2.213 510 M HA -0.111 4.370 4.480 0.001 0.000 0.263 510 M C 1.278 177.553 176.300 -0.042 0.000 1.062 510 M CA 0.862 56.122 55.300 -0.065 0.000 1.105 510 M CB -0.736 31.832 32.600 -0.052 0.000 1.385 510 M HN 0.395 8.685 8.290 -0.000 0.000 0.417 511 N N 0.610 119.288 118.700 -0.036 0.000 2.223 511 N HA -0.158 4.583 4.740 0.001 0.000 0.185 511 N C 1.224 176.716 175.510 -0.029 0.000 1.016 511 N CA 1.141 54.174 53.050 -0.028 0.000 0.863 511 N CB -0.429 38.043 38.487 -0.024 0.000 0.983 511 N HN 0.387 8.767 8.380 -0.000 0.000 0.429 512 N N 0.276 118.958 118.700 -0.030 0.000 2.280 512 N HA 0.144 4.885 4.740 0.001 0.000 0.192 512 N C -0.359 175.143 175.510 -0.013 0.000 1.109 512 N CA -0.173 52.863 53.050 -0.024 0.000 0.855 512 N CB 0.285 38.761 38.487 -0.019 0.000 0.974 512 N HN 0.145 8.525 8.380 -0.000 0.000 0.482 513 A N 0.113 122.921 122.820 -0.019 0.000 2.351 513 A HA 0.374 4.695 4.320 0.001 0.000 0.257 513 A C -0.198 177.383 177.584 -0.005 0.000 1.087 513 A CA -0.331 51.700 52.037 -0.010 0.000 0.798 513 A CB 0.184 19.168 19.000 -0.026 0.000 1.033 513 A HN 0.245 8.395 8.150 -0.000 0.000 0.488 514 N N 1.925 120.628 118.700 0.005 0.000 2.439 514 N HA 0.393 5.134 4.740 0.001 0.000 0.249 514 N C -2.813 172.698 175.510 0.002 0.000 1.003 514 N CA -1.481 51.572 53.050 0.005 0.000 0.942 514 N CB 0.918 39.413 38.487 0.013 0.000 1.115 514 N HN 0.291 8.671 8.380 -0.000 0.000 0.505 515 P HA -0.008 4.412 4.420 -0.000 0.000 0.265 515 P C 0.441 177.741 177.300 -0.001 0.000 1.187 515 P CA 0.159 63.257 63.100 -0.004 0.000 0.766 515 P CB 0.399 32.096 31.700 -0.005 0.000 0.820 516 M N -0.436 119.163 119.600 -0.002 0.000 2.856 516 M HA -0.246 4.235 4.480 0.001 0.000 0.189 516 M C 0.306 176.607 176.300 0.002 0.000 0.612 516 M CA 1.419 56.719 55.300 -0.001 0.000 0.673 516 M CB -2.248 30.352 32.600 -0.000 0.000 2.440 516 M HN 0.513 8.803 8.290 -0.000 0.000 0.437 517 D N -0.522 119.880 120.400 0.004 0.000 2.971 517 D HA 0.241 4.882 4.640 0.001 0.000 0.221 517 D C 0.187 176.495 176.300 0.012 0.000 1.406 517 D CA 1.606 55.611 54.000 0.008 0.000 1.328 517 D CB 0.801 41.607 40.800 0.011 0.000 1.369 517 D HN 0.598 8.968 8.370 -0.000 0.000 0.364 518 C N 0.302 119.612 119.300 0.017 0.000 3.285 518 C HA 0.760 5.221 4.460 0.001 0.000 0.325 518 C C -0.247 174.758 174.990 0.025 0.000 1.304 518 C CA -1.333 57.701 59.018 0.027 0.000 1.319 518 C CB 0.263 28.029 27.740 0.044 0.000 1.640 518 C HN 0.291 8.521 8.230 -0.000 0.000 0.477 519 L N 1.668 122.913 121.223 0.037 0.000 2.469 519 L HA 0.810 5.150 4.340 0.001 0.000 0.253 519 L C 0.649 177.551 176.870 0.054 0.000 1.143 519 L CA -0.060 54.789 54.840 0.016 0.000 0.804 519 L CB 1.152 43.213 42.059 0.003 0.000 1.214 519 L HN 1.111 9.341 8.230 -0.000 0.000 0.476 520 A N 0.242 123.053 122.820 -0.015 0.000 2.515 520 A HA 0.733 5.054 4.320 0.001 0.000 0.298 520 A C -1.913 175.606 177.584 -0.107 0.000 1.059 520 A CA -0.346 51.718 52.037 0.045 0.000 0.698 520 A CB 1.193 20.215 19.000 0.036 0.000 1.289 520 A HN 0.487 8.637 8.150 -0.000 0.000 0.404 521 Y N 0.022 120.407 120.300 0.141 0.000 2.462 521 Y HA 0.699 5.249 4.550 0.001 0.000 0.346 521 Y C 0.256 176.241 175.900 0.141 0.000 0.976 521 Y CA -0.458 57.734 58.100 0.154 0.000 1.044 521 Y CB 2.301 40.891 38.460 0.217 0.000 1.230 521 Y HN 0.793 9.073 8.280 -0.000 0.000 0.455 522 R N 2.680 123.344 120.500 0.273 0.000 2.387 522 R HA 0.580 4.921 4.340 0.001 0.000 0.314 522 R C -2.301 174.176 176.300 0.295 0.000 0.958 522 R CA -0.428 55.799 56.100 0.210 0.000 0.846 522 R CB 0.544 30.920 30.300 0.125 0.000 1.147 522 R HN 0.533 8.803 8.270 -0.000 0.000 0.447 523 F N 4.116 124.121 119.950 0.091 0.000 2.659 523 F HA 0.423 4.950 4.527 0.001 0.000 0.342 523 F C -1.335 174.526 175.800 0.102 0.000 1.168 523 F CA -1.145 56.884 58.000 0.049 0.000 1.003 523 F CB 1.329 40.308 39.000 -0.034 0.000 1.267 523 F HN 0.572 8.872 8.300 -0.000 0.000 0.463 524 D N 6.139 126.376 120.400 -0.272 0.000 2.193 524 D HA 0.528 5.169 4.640 0.001 0.000 0.249 524 D C -0.357 175.625 176.300 -0.530 0.000 1.034 524 D CA 0.126 53.976 54.000 -0.250 0.000 0.902 524 D CB 2.287 43.015 40.800 -0.120 0.000 1.182 524 D HN 0.399 8.769 8.370 -0.000 0.000 0.436 525 I N 0.996 121.367 120.570 -0.333 0.000 2.465 525 I HA 0.286 4.457 4.170 0.001 0.000 0.291 525 I C -0.618 175.412 176.117 -0.145 0.000 1.014 525 I CA -0.968 60.139 61.300 -0.322 0.000 1.093 525 I CB 2.165 40.003 38.000 -0.270 0.000 1.267 525 I HN -0.089 8.121 8.210 -0.000 0.000 0.431 526 V N 6.847 126.697 119.914 -0.106 0.000 2.384 526 V HA 0.473 4.594 4.120 0.001 0.000 0.287 526 V C 0.073 176.167 176.094 -0.000 0.000 1.020 526 V CA -0.517 61.755 62.300 -0.047 0.000 0.850 526 V CB 1.544 33.336 31.823 -0.052 0.000 0.987 526 V HN 0.489 8.679 8.190 -0.000 0.000 0.436 527 L N 3.752 124.987 121.223 0.020 0.000 2.332 527 L HA 0.620 4.961 4.340 0.001 0.000 0.269 527 L C 0.672 177.586 176.870 0.073 0.000 1.016 527 L CA -1.071 53.802 54.840 0.055 0.000 0.809 527 L CB 1.255 43.351 42.059 0.062 0.000 1.280 527 L HN 0.540 8.770 8.230 -0.000 0.000 0.447 528 R N 0.441 121.002 120.500 0.102 0.000 2.566 528 R HA 0.040 4.381 4.340 0.001 0.000 0.273 528 R C 0.279 176.713 176.300 0.223 0.000 0.981 528 R CA 0.073 56.261 56.100 0.148 0.000 1.091 528 R CB -0.040 30.373 30.300 0.189 0.000 0.924 528 R HN 0.802 9.072 8.270 -0.000 0.000 0.411 529 G N 1.807 110.676 108.800 0.114 0.000 2.398 529 G HA2 0.024 3.984 3.960 0.001 0.000 0.246 529 G HA3 0.024 3.984 3.960 0.001 0.000 0.246 529 G C -0.569 174.523 174.900 0.320 0.000 1.289 529 G CA -0.350 44.832 45.100 0.137 0.000 0.869 529 G HN 0.588 8.878 8.290 -0.000 0.000 0.543 530 Q N 1.241 121.221 119.800 0.301 0.000 2.316 530 Q HA 0.599 4.940 4.340 0.001 0.000 0.264 530 Q C -0.036 175.859 176.000 -0.175 0.000 0.987 530 Q CA -0.970 54.740 55.803 -0.155 0.000 0.852 530 Q CB 1.217 29.853 28.738 -0.170 0.000 1.287 530 Q HN 0.769 9.039 8.270 -0.000 0.000 0.448 531 R N 0.150 120.464 120.500 -0.309 0.000 2.808 531 R HA 0.753 5.094 4.340 0.001 0.000 0.272 531 R C -1.205 174.910 176.300 -0.309 0.000 0.995 531 R CA -0.835 55.076 56.100 -0.316 0.000 0.917 531 R CB 0.820 30.970 30.300 -0.250 0.000 1.217 531 R HN 0.445 8.715 8.270 -0.000 0.000 0.471 532 K N 0.528 120.771 120.400 -0.261 0.000 2.126 532 K HA 0.298 4.619 4.320 0.001 0.000 0.257 532 K C 0.309 176.743 176.600 -0.277 0.000 1.007 532 K CA -0.001 56.152 56.287 -0.223 0.000 0.928 532 K CB 0.221 32.622 32.500 -0.165 0.000 1.013 532 K HN 0.789 9.039 8.250 -0.000 0.000 0.473 533 T N -0.414 114.001 114.554 -0.232 0.000 2.860 533 T HA 0.485 4.836 4.350 0.001 0.000 0.299 533 T C 0.028 174.599 174.700 -0.216 0.000 1.045 533 T CA 0.220 62.173 62.100 -0.245 0.000 1.071 533 T CB 0.112 68.903 68.868 -0.128 0.000 0.985 533 T HN 1.147 9.387 8.240 -0.000 0.000 0.537 534 H N -1.266 117.765 119.070 -0.065 0.000 3.038 534 H HA 0.425 4.982 4.556 0.001 0.000 0.362 534 H C -0.436 174.883 175.328 -0.015 0.000 1.167 534 H CA -2.564 53.380 56.048 -0.173 0.000 1.197 534 H CB -0.366 29.298 29.762 -0.163 0.000 1.840 534 H HN 0.580 8.860 8.280 -0.000 0.000 0.540 535 F N -0.670 119.379 119.950 0.165 0.000 3.056 535 F HA -0.269 4.259 4.527 0.001 0.000 0.266 535 F C 0.601 176.450 175.800 0.081 0.000 0.957 535 F CA 1.262 59.312 58.000 0.083 0.000 0.894 535 F CB -1.622 37.398 39.000 0.033 0.000 0.832 535 F HN 0.694 8.994 8.300 -0.000 0.000 0.745 536 E N 0.000 120.294 120.200 0.156 0.000 2.725 536 E HA 0.000 4.351 4.350 0.001 0.000 0.291 536 E CA 0.000 56.466 56.400 0.111 0.000 0.976 536 E CB 0.000 29.734 29.700 0.056 0.000 0.812 536 E HN 0.000 8.360 8.360 -0.000 0.000 0.440